USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 750 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 37 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 75 MET CE :methyl -128:sc= -1.24 (180deg=-8.72!) USER MOD Set 2.1: A 22 THR OG1 : rot -60:sc= 1.29 USER MOD Set 2.2: A 25 THR OG1 : rot -160:sc= 1.03 USER MOD Single : A 3 TYR OH : rot 0:sc= -0.14 USER MOD Single : A 13 MET CE :methyl -141:sc= -0.0515 (180deg=-0.339) USER MOD Single : A 14 THR OG1 : rot -120:sc= 0.00991 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 174:sc= 0.0476 (180deg=-0.0415) USER MOD Single : A 20 ASN : amide:sc= 0.916 K(o=0.92,f=-0.037) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0.0659 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.00953 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.0617 USER MOD Single : A 52 LYS NZ :NH3+ 167:sc=-0.00737 (180deg=-0.164) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HE2:sc= -0.807 K(o=-0.81,f=-0.16) USER MOD Single : A 65 LYS NZ :NH3+ -149:sc= 1.27 (180deg=0.58) USER MOD Single : A 72 MET CE :methyl -142:sc= 0 (180deg=-1.03) USER MOD Single : A 88 GLN : amide:sc= 0.0684 K(o=0.068,f=-2.1) USER MOD Single : A 89 MET CE :methyl 165:sc= -0.0108 (180deg=-0.492) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= -0.0449 USER MOD ----------------------------------------------------------------- ATOM 29 N TYR A 3 -5.398 15.803 4.464 1.00 0.00 N ATOM 30 CA TYR A 3 -5.975 14.587 3.904 1.00 0.00 C ATOM 31 C TYR A 3 -7.478 14.770 3.717 1.00 0.00 C ATOM 32 O TYR A 3 -8.031 15.803 4.091 1.00 0.00 O ATOM 33 CB TYR A 3 -5.677 13.396 4.813 1.00 0.00 C ATOM 34 CG TYR A 3 -4.192 13.130 4.908 1.00 0.00 C ATOM 35 CD1 TYR A 3 -3.417 13.801 5.863 1.00 0.00 C ATOM 36 CD2 TYR A 3 -3.592 12.222 4.025 1.00 0.00 C ATOM 37 CE1 TYR A 3 -2.034 13.599 5.909 1.00 0.00 C ATOM 38 CE2 TYR A 3 -2.210 11.995 4.077 1.00 0.00 C ATOM 39 CZ TYR A 3 -1.422 12.711 5.000 1.00 0.00 C ATOM 40 OH TYR A 3 -0.072 12.546 5.026 1.00 0.00 O ATOM 0 HA TYR A 3 -5.527 14.389 2.930 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -6.078 13.587 5.808 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -6.183 12.509 4.431 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -3.888 14.474 6.564 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -4.197 11.695 3.302 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -1.435 14.122 6.640 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -1.752 11.276 3.414 1.00 0.00 H new ATOM 0 HH TYR A 3 0.313 13.113 5.727 1.00 0.00 H new ATOM 50 N GLY A 4 -8.136 13.766 3.138 1.00 0.00 N ATOM 51 CA GLY A 4 -9.553 13.843 2.831 1.00 0.00 C ATOM 52 C GLY A 4 -10.161 12.463 2.645 1.00 0.00 C ATOM 53 O GLY A 4 -9.457 11.453 2.664 1.00 0.00 O ATOM 0 H GLY A 4 -7.699 12.883 2.872 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.072 14.365 3.635 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.698 14.430 1.924 1.00 0.00 H new ATOM 57 N ARG A 5 -11.486 12.441 2.462 1.00 0.00 N ATOM 58 CA ARG A 5 -12.260 11.229 2.294 1.00 0.00 C ATOM 59 C ARG A 5 -11.814 10.432 1.070 1.00 0.00 C ATOM 60 O ARG A 5 -11.272 10.993 0.117 1.00 0.00 O ATOM 61 CB ARG A 5 -13.746 11.600 2.184 1.00 0.00 C ATOM 62 CG ARG A 5 -14.016 12.475 0.954 1.00 0.00 C ATOM 63 CD ARG A 5 -15.479 12.915 0.913 1.00 0.00 C ATOM 64 NE ARG A 5 -16.384 11.777 0.762 1.00 0.00 N ATOM 65 CZ ARG A 5 -17.119 11.254 1.749 1.00 0.00 C ATOM 66 NH1 ARG A 5 -17.064 11.737 2.990 1.00 0.00 N ATOM 67 NH2 ARG A 5 -17.926 10.228 1.496 1.00 0.00 N ATOM 0 H ARG A 5 -12.052 13.289 2.428 1.00 0.00 H new ATOM 0 HA ARG A 5 -12.098 10.590 3.162 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -14.346 10.692 2.125 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -14.058 12.130 3.084 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -13.368 13.351 0.976 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -13.772 11.921 0.047 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -15.722 13.454 1.829 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -15.627 13.609 0.086 1.00 0.00 H new ATOM 0 HE ARG A 5 -16.460 11.352 -0.162 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -16.451 12.524 3.204 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -17.635 11.320 3.725 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -17.982 9.844 0.553 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -18.489 9.825 2.245 1.00 0.00 H new ATOM 81 N PRO A 6 -12.050 9.118 1.100 1.00 0.00 N ATOM 82 CA PRO A 6 -11.832 8.215 -0.015 1.00 0.00 C ATOM 83 C PRO A 6 -12.879 8.469 -1.099 1.00 0.00 C ATOM 84 O PRO A 6 -13.897 9.114 -0.834 1.00 0.00 O ATOM 85 CB PRO A 6 -11.969 6.816 0.592 1.00 0.00 C ATOM 86 CG PRO A 6 -12.919 7.023 1.772 1.00 0.00 C ATOM 87 CD PRO A 6 -12.573 8.426 2.260 1.00 0.00 C ATOM 0 HA PRO A 6 -10.861 8.347 -0.493 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -12.374 6.105 -0.128 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -11.005 6.425 0.918 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -13.963 6.950 1.466 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -12.762 6.276 2.550 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -13.453 8.933 2.656 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -11.836 8.392 3.063 1.00 0.00 H new ATOM 95 N PRO A 7 -12.654 7.977 -2.324 1.00 0.00 N ATOM 96 CA PRO A 7 -13.581 8.162 -3.426 1.00 0.00 C ATOM 97 C PRO A 7 -14.857 7.357 -3.189 1.00 0.00 C ATOM 98 O PRO A 7 -14.842 6.351 -2.481 1.00 0.00 O ATOM 99 CB PRO A 7 -12.825 7.679 -4.666 1.00 0.00 C ATOM 100 CG PRO A 7 -11.841 6.656 -4.112 1.00 0.00 C ATOM 101 CD PRO A 7 -11.488 7.214 -2.734 1.00 0.00 C ATOM 0 HA PRO A 7 -13.898 9.199 -3.537 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -13.499 7.232 -5.397 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -12.311 8.499 -5.166 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -12.289 5.665 -4.041 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -10.959 6.563 -4.746 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -11.273 6.412 -2.027 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -10.600 7.845 -2.780 1.00 0.00 H new ATOM 109 N PRO A 8 -15.980 7.786 -3.776 1.00 0.00 N ATOM 110 CA PRO A 8 -17.279 7.153 -3.626 1.00 0.00 C ATOM 111 C PRO A 8 -17.471 5.971 -4.583 1.00 0.00 C ATOM 112 O PRO A 8 -18.606 5.569 -4.831 1.00 0.00 O ATOM 113 CB PRO A 8 -18.268 8.269 -3.955 1.00 0.00 C ATOM 114 CG PRO A 8 -17.540 9.031 -5.066 1.00 0.00 C ATOM 115 CD PRO A 8 -16.079 8.968 -4.616 1.00 0.00 C ATOM 0 HA PRO A 8 -17.407 6.734 -2.628 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -19.227 7.876 -4.292 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -18.469 8.903 -3.091 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -17.684 8.563 -6.040 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -17.894 10.059 -5.151 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -15.408 8.898 -5.472 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -15.800 9.866 -4.064 1.00 0.00 H new ATOM 123 N ASP A 9 -16.388 5.404 -5.125 1.00 0.00 N ATOM 124 CA ASP A 9 -16.486 4.367 -6.146 1.00 0.00 C ATOM 125 C ASP A 9 -15.537 3.199 -5.863 1.00 0.00 C ATOM 126 O ASP A 9 -15.206 2.432 -6.764 1.00 0.00 O ATOM 127 CB ASP A 9 -16.226 4.997 -7.512 1.00 0.00 C ATOM 128 CG ASP A 9 -16.587 4.055 -8.664 1.00 0.00 C ATOM 129 OD1 ASP A 9 -17.649 3.400 -8.570 1.00 0.00 O ATOM 130 OD2 ASP A 9 -15.800 3.994 -9.632 1.00 0.00 O ATOM 0 H ASP A 9 -15.432 5.650 -4.869 1.00 0.00 H new ATOM 0 HA ASP A 9 -17.491 3.944 -6.134 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -16.805 5.916 -7.602 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -15.175 5.274 -7.588 1.00 0.00 H new ATOM 135 N VAL A 10 -15.086 3.051 -4.609 1.00 0.00 N ATOM 136 CA VAL A 10 -14.230 1.934 -4.220 1.00 0.00 C ATOM 137 C VAL A 10 -14.947 0.604 -4.456 1.00 0.00 C ATOM 138 O VAL A 10 -14.311 -0.440 -4.569 1.00 0.00 O ATOM 139 CB VAL A 10 -13.830 2.078 -2.745 1.00 0.00 C ATOM 140 CG1 VAL A 10 -12.833 0.996 -2.327 1.00 0.00 C ATOM 141 CG2 VAL A 10 -13.163 3.434 -2.509 1.00 0.00 C ATOM 0 H VAL A 10 -15.304 3.696 -3.849 1.00 0.00 H new ATOM 0 HA VAL A 10 -13.329 1.946 -4.833 1.00 0.00 H new ATOM 0 HB VAL A 10 -14.743 1.984 -2.157 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -12.572 1.128 -1.277 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -13.282 0.013 -2.468 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -11.933 1.075 -2.938 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -12.884 3.524 -1.459 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -12.271 3.514 -3.130 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -13.859 4.232 -2.769 1.00 0.00 H new ATOM 151 N GLU A 11 -16.284 0.635 -4.538 1.00 0.00 N ATOM 152 CA GLU A 11 -17.108 -0.540 -4.797 1.00 0.00 C ATOM 153 C GLU A 11 -17.019 -0.979 -6.259 1.00 0.00 C ATOM 154 O GLU A 11 -17.665 -1.945 -6.662 1.00 0.00 O ATOM 155 CB GLU A 11 -18.562 -0.227 -4.434 1.00 0.00 C ATOM 156 CG GLU A 11 -18.652 0.204 -2.973 1.00 0.00 C ATOM 157 CD GLU A 11 -20.109 0.441 -2.564 1.00 0.00 C ATOM 158 OE1 GLU A 11 -20.755 -0.547 -2.143 1.00 0.00 O ATOM 159 OE2 GLU A 11 -20.559 1.602 -2.673 1.00 0.00 O ATOM 0 H GLU A 11 -16.825 1.492 -4.424 1.00 0.00 H new ATOM 0 HA GLU A 11 -16.737 -1.361 -4.183 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -18.945 0.563 -5.080 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -19.185 -1.106 -4.602 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -18.211 -0.562 -2.335 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -18.074 1.116 -2.822 1.00 0.00 H new ATOM 166 N GLY A 12 -16.216 -0.267 -7.053 1.00 0.00 N ATOM 167 CA GLY A 12 -16.043 -0.537 -8.473 1.00 0.00 C ATOM 168 C GLY A 12 -14.587 -0.383 -8.902 1.00 0.00 C ATOM 169 O GLY A 12 -14.300 -0.251 -10.093 1.00 0.00 O ATOM 0 H GLY A 12 -15.663 0.522 -6.719 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -16.383 -1.548 -8.695 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -16.667 0.144 -9.052 1.00 0.00 H new ATOM 173 N MET A 13 -13.663 -0.402 -7.935 1.00 0.00 N ATOM 174 CA MET A 13 -12.233 -0.277 -8.179 1.00 0.00 C ATOM 175 C MET A 13 -11.461 -1.163 -7.204 1.00 0.00 C ATOM 176 O MET A 13 -12.048 -1.764 -6.304 1.00 0.00 O ATOM 177 CB MET A 13 -11.790 1.175 -7.992 1.00 0.00 C ATOM 178 CG MET A 13 -12.452 2.116 -9.000 1.00 0.00 C ATOM 179 SD MET A 13 -11.780 3.802 -8.983 1.00 0.00 S ATOM 180 CE MET A 13 -12.133 4.271 -7.270 1.00 0.00 C ATOM 0 H MET A 13 -13.898 -0.507 -6.948 1.00 0.00 H new ATOM 0 HA MET A 13 -12.027 -0.589 -9.203 1.00 0.00 H new ATOM 0 HB2 MET A 13 -12.033 1.500 -6.980 1.00 0.00 H new ATOM 0 HB3 MET A 13 -10.707 1.239 -8.095 1.00 0.00 H new ATOM 0 HG2 MET A 13 -12.337 1.700 -10.001 1.00 0.00 H new ATOM 0 HG3 MET A 13 -13.521 2.159 -8.794 1.00 0.00 H new ATOM 0 HE1 MET A 13 -12.451 5.313 -7.236 1.00 0.00 H new ATOM 0 HE2 MET A 13 -12.926 3.636 -6.875 1.00 0.00 H new ATOM 0 HE3 MET A 13 -11.234 4.147 -6.666 1.00 0.00 H new ATOM 190 N THR A 14 -10.140 -1.243 -7.377 1.00 0.00 N ATOM 191 CA THR A 14 -9.269 -1.970 -6.457 1.00 0.00 C ATOM 192 C THR A 14 -9.271 -1.267 -5.100 1.00 0.00 C ATOM 193 O THR A 14 -9.773 -0.152 -4.978 1.00 0.00 O ATOM 194 CB THR A 14 -7.860 -2.056 -7.053 1.00 0.00 C ATOM 195 OG1 THR A 14 -7.953 -2.345 -8.430 1.00 0.00 O ATOM 196 CG2 THR A 14 -7.026 -3.154 -6.399 1.00 0.00 C ATOM 0 H THR A 14 -9.647 -0.807 -8.156 1.00 0.00 H new ATOM 0 HA THR A 14 -9.632 -2.987 -6.309 1.00 0.00 H new ATOM 0 HB THR A 14 -7.375 -1.096 -6.877 1.00 0.00 H new ATOM 0 HG1 THR A 14 -7.491 -3.188 -8.619 1.00 0.00 H new ATOM 0 HG21 THR A 14 -6.035 -3.178 -6.853 1.00 0.00 H new ATOM 0 HG22 THR A 14 -6.931 -2.952 -5.332 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.515 -4.117 -6.544 1.00 0.00 H new ATOM 203 N SER A 15 -8.716 -1.915 -4.075 1.00 0.00 N ATOM 204 CA SER A 15 -8.732 -1.397 -2.716 1.00 0.00 C ATOM 205 C SER A 15 -7.554 -1.946 -1.917 1.00 0.00 C ATOM 206 O SER A 15 -7.747 -2.572 -0.880 1.00 0.00 O ATOM 207 CB SER A 15 -10.064 -1.768 -2.060 1.00 0.00 C ATOM 208 OG SER A 15 -10.278 -3.163 -2.136 1.00 0.00 O ATOM 0 H SER A 15 -8.244 -2.814 -4.169 1.00 0.00 H new ATOM 0 HA SER A 15 -8.633 -0.312 -2.736 1.00 0.00 H new ATOM 0 HB2 SER A 15 -10.065 -1.450 -1.018 1.00 0.00 H new ATOM 0 HB3 SER A 15 -10.880 -1.241 -2.555 1.00 0.00 H new ATOM 0 HG SER A 15 -11.132 -3.387 -1.711 1.00 0.00 H new ATOM 214 N LEU A 16 -6.325 -1.722 -2.388 1.00 0.00 N ATOM 215 CA LEU A 16 -5.153 -2.245 -1.711 1.00 0.00 C ATOM 216 C LEU A 16 -4.987 -1.488 -0.403 1.00 0.00 C ATOM 217 O LEU A 16 -5.372 -0.323 -0.338 1.00 0.00 O ATOM 218 CB LEU A 16 -3.923 -2.029 -2.596 1.00 0.00 C ATOM 219 CG LEU A 16 -2.692 -2.765 -2.052 1.00 0.00 C ATOM 220 CD1 LEU A 16 -2.831 -4.274 -2.251 1.00 0.00 C ATOM 221 CD2 LEU A 16 -1.453 -2.292 -2.802 1.00 0.00 C ATOM 0 H LEU A 16 -6.124 -1.184 -3.231 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.265 -3.311 -1.514 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.137 -2.377 -3.607 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.708 -0.963 -2.665 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.605 -2.550 -0.987 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.947 -4.776 -1.858 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.715 -4.631 -1.723 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.930 -4.493 -3.314 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.575 -2.812 -2.419 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.567 -2.506 -3.865 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.329 -1.218 -2.660 1.00 0.00 H new ATOM 233 N LYS A 17 -4.415 -2.141 0.613 1.00 0.00 N ATOM 234 CA LYS A 17 -4.087 -1.526 1.887 1.00 0.00 C ATOM 235 C LYS A 17 -2.613 -1.759 2.214 1.00 0.00 C ATOM 236 O LYS A 17 -2.015 -2.726 1.744 1.00 0.00 O ATOM 237 CB LYS A 17 -5.005 -2.095 2.977 1.00 0.00 C ATOM 238 CG LYS A 17 -4.430 -2.018 4.401 1.00 0.00 C ATOM 239 CD LYS A 17 -5.472 -2.525 5.391 1.00 0.00 C ATOM 240 CE LYS A 17 -4.893 -2.649 6.803 1.00 0.00 C ATOM 241 NZ LYS A 17 -4.576 -1.335 7.390 1.00 0.00 N ATOM 0 H LYS A 17 -4.166 -3.129 0.565 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.247 -0.449 1.833 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.953 -1.558 2.952 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -5.223 -3.137 2.743 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.522 -2.617 4.472 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.154 -0.991 4.639 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -6.323 -1.845 5.405 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.845 -3.495 5.063 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.607 -3.169 7.443 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.990 -3.259 6.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.283 -1.459 8.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.803 -0.892 6.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.418 -0.725 7.352 1.00 0.00 H new ATOM 255 N VAL A 18 -2.035 -0.868 3.026 1.00 0.00 N ATOM 256 CA VAL A 18 -0.645 -0.937 3.467 1.00 0.00 C ATOM 257 C VAL A 18 -0.599 -0.617 4.957 1.00 0.00 C ATOM 258 O VAL A 18 -1.269 0.322 5.389 1.00 0.00 O ATOM 259 CB VAL A 18 0.151 0.127 2.713 1.00 0.00 C ATOM 260 CG1 VAL A 18 1.586 0.233 3.238 1.00 0.00 C ATOM 261 CG2 VAL A 18 0.158 -0.103 1.203 1.00 0.00 C ATOM 0 H VAL A 18 -2.535 -0.062 3.401 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.229 -1.927 3.278 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.360 1.072 2.898 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.122 0.999 2.679 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.568 0.501 4.294 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.090 -0.726 3.115 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.738 0.682 0.718 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.606 -1.072 0.985 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.865 -0.083 0.827 1.00 0.00 H new ATOM 271 N ASP A 19 0.182 -1.384 5.727 1.00 0.00 N ATOM 272 CA ASP A 19 0.222 -1.276 7.184 1.00 0.00 C ATOM 273 C ASP A 19 1.546 -1.768 7.787 1.00 0.00 C ATOM 274 O ASP A 19 2.440 -2.212 7.067 1.00 0.00 O ATOM 275 CB ASP A 19 -0.940 -2.094 7.753 1.00 0.00 C ATOM 276 CG ASP A 19 -0.800 -3.585 7.466 1.00 0.00 C ATOM 277 OD1 ASP A 19 -1.164 -3.996 6.342 1.00 0.00 O ATOM 278 OD2 ASP A 19 -0.331 -4.302 8.376 1.00 0.00 O ATOM 0 H ASP A 19 0.805 -2.099 5.352 1.00 0.00 H new ATOM 0 HA ASP A 19 0.136 -0.222 7.448 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -0.996 -1.938 8.830 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.877 -1.732 7.329 1.00 0.00 H new ATOM 283 N ASN A 20 1.649 -1.679 9.122 1.00 0.00 N ATOM 284 CA ASN A 20 2.740 -2.192 9.955 1.00 0.00 C ATOM 285 C ASN A 20 3.942 -1.244 10.066 1.00 0.00 C ATOM 286 O ASN A 20 5.033 -1.680 10.430 1.00 0.00 O ATOM 287 CB ASN A 20 3.162 -3.600 9.518 1.00 0.00 C ATOM 288 CG ASN A 20 3.702 -4.394 10.700 1.00 0.00 C ATOM 289 OD1 ASN A 20 2.950 -4.797 11.577 1.00 0.00 O ATOM 290 ND2 ASN A 20 5.010 -4.622 10.742 1.00 0.00 N ATOM 0 H ASN A 20 0.929 -1.219 9.679 1.00 0.00 H new ATOM 0 HA ASN A 20 2.334 -2.256 10.965 1.00 0.00 H new ATOM 0 HB2 ASN A 20 2.309 -4.121 9.083 1.00 0.00 H new ATOM 0 HB3 ASN A 20 3.924 -3.532 8.742 1.00 0.00 H new ATOM 0 HD21 ASN A 20 5.412 -5.145 11.520 1.00 0.00 H new ATOM 0 HD22 ASN A 20 5.613 -4.274 9.996 1.00 0.00 H new ATOM 297 N LEU A 21 3.766 0.042 9.753 1.00 0.00 N ATOM 298 CA LEU A 21 4.833 1.037 9.808 1.00 0.00 C ATOM 299 C LEU A 21 5.471 1.172 11.192 1.00 0.00 C ATOM 300 O LEU A 21 4.973 0.636 12.182 1.00 0.00 O ATOM 301 CB LEU A 21 4.296 2.379 9.286 1.00 0.00 C ATOM 302 CG LEU A 21 3.074 2.926 10.035 1.00 0.00 C ATOM 303 CD1 LEU A 21 3.362 3.467 11.433 1.00 0.00 C ATOM 304 CD2 LEU A 21 2.507 4.088 9.234 1.00 0.00 C ATOM 0 H LEU A 21 2.869 0.423 9.452 1.00 0.00 H new ATOM 0 HA LEU A 21 5.643 0.695 9.164 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.096 3.118 9.338 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.036 2.264 8.234 1.00 0.00 H new ATOM 0 HG LEU A 21 2.395 2.081 10.145 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.437 3.830 11.880 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.777 2.672 12.053 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.078 4.286 11.366 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.636 4.494 9.748 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.264 4.866 9.135 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.214 3.739 8.244 1.00 0.00 H new ATOM 316 N THR A 22 6.591 1.900 11.253 1.00 0.00 N ATOM 317 CA THR A 22 7.364 2.090 12.480 1.00 0.00 C ATOM 318 C THR A 22 6.758 3.180 13.354 1.00 0.00 C ATOM 319 O THR A 22 5.866 3.908 12.929 1.00 0.00 O ATOM 320 CB THR A 22 8.795 2.504 12.136 1.00 0.00 C ATOM 321 OG1 THR A 22 8.784 3.796 11.570 1.00 0.00 O ATOM 322 CG2 THR A 22 9.443 1.541 11.144 1.00 0.00 C ATOM 0 H THR A 22 6.988 2.377 10.444 1.00 0.00 H new ATOM 0 HA THR A 22 7.353 1.144 13.021 1.00 0.00 H new ATOM 0 HB THR A 22 9.375 2.488 13.059 1.00 0.00 H new ATOM 0 HG1 THR A 22 8.245 3.790 10.752 1.00 0.00 H new ATOM 0 HG21 THR A 22 10.459 1.872 10.927 1.00 0.00 H new ATOM 0 HG22 THR A 22 9.472 0.540 11.574 1.00 0.00 H new ATOM 0 HG23 THR A 22 8.862 1.523 10.222 1.00 0.00 H new ATOM 329 N TYR A 23 7.247 3.301 14.587 1.00 0.00 N ATOM 330 CA TYR A 23 6.830 4.355 15.502 1.00 0.00 C ATOM 331 C TYR A 23 7.366 5.725 15.069 1.00 0.00 C ATOM 332 O TYR A 23 7.235 6.699 15.811 1.00 0.00 O ATOM 333 CB TYR A 23 7.276 4.001 16.923 1.00 0.00 C ATOM 334 CG TYR A 23 8.776 4.001 17.134 1.00 0.00 C ATOM 335 CD1 TYR A 23 9.539 2.877 16.781 1.00 0.00 C ATOM 336 CD2 TYR A 23 9.398 5.126 17.687 1.00 0.00 C ATOM 337 CE1 TYR A 23 10.928 2.882 16.967 1.00 0.00 C ATOM 338 CE2 TYR A 23 10.790 5.141 17.877 1.00 0.00 C ATOM 339 CZ TYR A 23 11.558 4.015 17.515 1.00 0.00 C ATOM 340 OH TYR A 23 12.909 4.029 17.699 1.00 0.00 O ATOM 0 H TYR A 23 7.945 2.668 14.978 1.00 0.00 H new ATOM 0 HA TYR A 23 5.743 4.427 15.481 1.00 0.00 H new ATOM 0 HB2 TYR A 23 6.825 4.709 17.618 1.00 0.00 H new ATOM 0 HB3 TYR A 23 6.887 3.015 17.176 1.00 0.00 H new ATOM 0 HD1 TYR A 23 9.054 2.006 16.365 1.00 0.00 H new ATOM 0 HD2 TYR A 23 8.807 5.985 17.968 1.00 0.00 H new ATOM 0 HE1 TYR A 23 11.514 2.018 16.690 1.00 0.00 H new ATOM 0 HE2 TYR A 23 11.270 6.012 18.299 1.00 0.00 H new ATOM 0 HH TYR A 23 13.178 4.888 18.086 1.00 0.00 H new ATOM 350 N ARG A 24 7.971 5.810 13.873 1.00 0.00 N ATOM 351 CA ARG A 24 8.600 7.023 13.360 1.00 0.00 C ATOM 352 C ARG A 24 8.146 7.345 11.935 1.00 0.00 C ATOM 353 O ARG A 24 8.475 8.410 11.416 1.00 0.00 O ATOM 354 CB ARG A 24 10.124 6.850 13.381 1.00 0.00 C ATOM 355 CG ARG A 24 10.690 6.629 14.784 1.00 0.00 C ATOM 356 CD ARG A 24 10.385 7.812 15.696 1.00 0.00 C ATOM 357 NE ARG A 24 10.998 9.050 15.204 1.00 0.00 N ATOM 358 CZ ARG A 24 10.775 10.254 15.736 1.00 0.00 C ATOM 359 NH1 ARG A 24 9.977 10.388 16.795 1.00 0.00 N ATOM 360 NH2 ARG A 24 11.353 11.329 15.208 1.00 0.00 N ATOM 0 H ARG A 24 8.034 5.021 13.230 1.00 0.00 H new ATOM 0 HA ARG A 24 8.299 7.852 14.000 1.00 0.00 H new ATOM 0 HB2 ARG A 24 10.395 6.003 12.750 1.00 0.00 H new ATOM 0 HB3 ARG A 24 10.589 7.734 12.945 1.00 0.00 H new ATOM 0 HG2 ARG A 24 10.267 5.720 15.210 1.00 0.00 H new ATOM 0 HG3 ARG A 24 11.768 6.481 14.725 1.00 0.00 H new ATOM 0 HD2 ARG A 24 9.306 7.945 15.770 1.00 0.00 H new ATOM 0 HD3 ARG A 24 10.750 7.600 16.701 1.00 0.00 H new ATOM 0 HE ARG A 24 11.633 8.988 14.408 1.00 0.00 H new ATOM 0 HH11 ARG A 24 9.532 9.567 17.205 1.00 0.00 H new ATOM 0 HH12 ARG A 24 9.812 11.311 17.196 1.00 0.00 H new ATOM 0 HH21 ARG A 24 11.965 11.233 14.398 1.00 0.00 H new ATOM 0 HH22 ARG A 24 11.184 12.250 15.613 1.00 0.00 H new ATOM 374 N THR A 25 7.399 6.441 11.296 1.00 0.00 N ATOM 375 CA THR A 25 6.857 6.695 9.968 1.00 0.00 C ATOM 376 C THR A 25 5.743 7.738 10.045 1.00 0.00 C ATOM 377 O THR A 25 5.204 7.990 11.123 1.00 0.00 O ATOM 378 CB THR A 25 6.342 5.384 9.366 1.00 0.00 C ATOM 379 OG1 THR A 25 7.385 4.437 9.324 1.00 0.00 O ATOM 380 CG2 THR A 25 5.833 5.554 7.933 1.00 0.00 C ATOM 0 H THR A 25 7.158 5.528 11.681 1.00 0.00 H new ATOM 0 HA THR A 25 7.643 7.089 9.323 1.00 0.00 H new ATOM 0 HB THR A 25 5.518 5.057 10.001 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.166 3.737 8.674 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.480 4.594 7.556 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.013 6.272 7.921 1.00 0.00 H new ATOM 0 HG23 THR A 25 6.643 5.917 7.300 1.00 0.00 H new ATOM 387 N SER A 26 5.387 8.339 8.907 1.00 0.00 N ATOM 388 CA SER A 26 4.329 9.335 8.829 1.00 0.00 C ATOM 389 C SER A 26 3.557 9.156 7.523 1.00 0.00 C ATOM 390 O SER A 26 4.092 8.604 6.562 1.00 0.00 O ATOM 391 CB SER A 26 4.944 10.736 8.904 1.00 0.00 C ATOM 392 OG SER A 26 5.583 10.905 10.149 1.00 0.00 O ATOM 0 H SER A 26 5.831 8.143 8.010 1.00 0.00 H new ATOM 0 HA SER A 26 3.638 9.210 9.663 1.00 0.00 H new ATOM 0 HB2 SER A 26 5.661 10.874 8.094 1.00 0.00 H new ATOM 0 HB3 SER A 26 4.169 11.492 8.776 1.00 0.00 H new ATOM 0 HG SER A 26 5.977 11.801 10.195 1.00 0.00 H new ATOM 398 N PRO A 27 2.298 9.614 7.467 1.00 0.00 N ATOM 399 CA PRO A 27 1.441 9.420 6.313 1.00 0.00 C ATOM 400 C PRO A 27 1.874 10.278 5.122 1.00 0.00 C ATOM 401 O PRO A 27 1.475 9.994 3.995 1.00 0.00 O ATOM 402 CB PRO A 27 0.035 9.794 6.789 1.00 0.00 C ATOM 403 CG PRO A 27 0.296 10.808 7.899 1.00 0.00 C ATOM 404 CD PRO A 27 1.605 10.328 8.522 1.00 0.00 C ATOM 0 HA PRO A 27 1.490 8.392 5.953 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -0.561 10.224 5.984 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -0.509 8.925 7.159 1.00 0.00 H new ATOM 0 HG2 PRO A 27 0.387 11.820 7.504 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -0.514 10.822 8.628 1.00 0.00 H new ATOM 0 HD2 PRO A 27 2.199 11.168 8.883 1.00 0.00 H new ATOM 0 HD3 PRO A 27 1.418 9.679 9.377 1.00 0.00 H new ATOM 412 N ASP A 28 2.682 11.317 5.349 1.00 0.00 N ATOM 413 CA ASP A 28 3.199 12.128 4.254 1.00 0.00 C ATOM 414 C ASP A 28 4.314 11.355 3.563 1.00 0.00 C ATOM 415 O ASP A 28 4.528 11.492 2.360 1.00 0.00 O ATOM 416 CB ASP A 28 3.760 13.437 4.801 1.00 0.00 C ATOM 417 CG ASP A 28 4.318 14.313 3.678 1.00 0.00 C ATOM 418 OD1 ASP A 28 3.517 15.074 3.091 1.00 0.00 O ATOM 419 OD2 ASP A 28 5.537 14.214 3.421 1.00 0.00 O ATOM 0 H ASP A 28 2.988 11.612 6.276 1.00 0.00 H new ATOM 0 HA ASP A 28 2.398 12.350 3.549 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.976 13.978 5.332 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.547 13.224 5.525 1.00 0.00 H new ATOM 424 N THR A 29 5.023 10.534 4.342 1.00 0.00 N ATOM 425 CA THR A 29 6.129 9.764 3.815 1.00 0.00 C ATOM 426 C THR A 29 5.561 8.676 2.928 1.00 0.00 C ATOM 427 O THR A 29 5.999 8.515 1.793 1.00 0.00 O ATOM 428 CB THR A 29 6.927 9.117 4.947 1.00 0.00 C ATOM 429 OG1 THR A 29 6.907 9.925 6.103 1.00 0.00 O ATOM 430 CG2 THR A 29 8.379 8.945 4.519 1.00 0.00 C ATOM 0 H THR A 29 4.844 10.392 5.336 1.00 0.00 H new ATOM 0 HA THR A 29 6.795 10.421 3.255 1.00 0.00 H new ATOM 0 HB THR A 29 6.471 8.152 5.168 1.00 0.00 H new ATOM 0 HG1 THR A 29 7.422 9.491 6.815 1.00 0.00 H new ATOM 0 HG21 THR A 29 8.945 8.484 5.328 1.00 0.00 H new ATOM 0 HG22 THR A 29 8.425 8.308 3.635 1.00 0.00 H new ATOM 0 HG23 THR A 29 8.808 9.920 4.287 1.00 0.00 H new ATOM 437 N LEU A 30 4.582 7.933 3.448 1.00 0.00 N ATOM 438 CA LEU A 30 3.977 6.840 2.710 1.00 0.00 C ATOM 439 C LEU A 30 3.272 7.355 1.466 1.00 0.00 C ATOM 440 O LEU A 30 3.221 6.660 0.457 1.00 0.00 O ATOM 441 CB LEU A 30 2.973 6.108 3.594 1.00 0.00 C ATOM 442 CG LEU A 30 3.623 5.555 4.856 1.00 0.00 C ATOM 443 CD1 LEU A 30 2.521 5.028 5.760 1.00 0.00 C ATOM 444 CD2 LEU A 30 4.600 4.425 4.521 1.00 0.00 C ATOM 0 H LEU A 30 4.195 8.075 4.381 1.00 0.00 H new ATOM 0 HA LEU A 30 4.768 6.154 2.407 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.168 6.789 3.869 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.521 5.291 3.031 1.00 0.00 H new ATOM 0 HG LEU A 30 4.186 6.346 5.352 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.960 4.625 6.673 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.839 5.840 6.013 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.972 4.240 5.244 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.050 4.049 5.440 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.065 3.617 4.022 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.382 4.803 3.863 1.00 0.00 H new ATOM 456 N ARG A 31 2.732 8.571 1.525 1.00 0.00 N ATOM 457 CA ARG A 31 2.041 9.153 0.384 1.00 0.00 C ATOM 458 C ARG A 31 3.013 9.233 -0.781 1.00 0.00 C ATOM 459 O ARG A 31 2.677 8.830 -1.889 1.00 0.00 O ATOM 460 CB ARG A 31 1.486 10.528 0.789 1.00 0.00 C ATOM 461 CG ARG A 31 1.127 11.413 -0.407 1.00 0.00 C ATOM 462 CD ARG A 31 0.006 10.805 -1.247 1.00 0.00 C ATOM 463 NE ARG A 31 -0.032 11.431 -2.572 1.00 0.00 N ATOM 464 CZ ARG A 31 -0.917 12.339 -2.979 1.00 0.00 C ATOM 465 NH1 ARG A 31 -1.887 12.773 -2.178 1.00 0.00 N ATOM 466 NH2 ARG A 31 -0.829 12.819 -4.213 1.00 0.00 N ATOM 0 H ARG A 31 2.761 9.169 2.351 1.00 0.00 H new ATOM 0 HA ARG A 31 1.197 8.540 0.069 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.599 10.386 1.406 1.00 0.00 H new ATOM 0 HB3 ARG A 31 2.224 11.043 1.404 1.00 0.00 H new ATOM 0 HG2 ARG A 31 0.822 12.397 -0.052 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.010 11.558 -1.030 1.00 0.00 H new ATOM 0 HD2 ARG A 31 0.160 9.731 -1.349 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.951 10.944 -0.744 1.00 0.00 H new ATOM 0 HE ARG A 31 0.683 11.146 -3.241 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.965 12.409 -1.228 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.552 13.469 -2.514 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.090 12.492 -4.836 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -1.500 13.515 -4.539 1.00 0.00 H new ATOM 480 N ARG A 32 4.214 9.749 -0.531 1.00 0.00 N ATOM 481 CA ARG A 32 5.210 9.968 -1.574 1.00 0.00 C ATOM 482 C ARG A 32 5.960 8.675 -1.898 1.00 0.00 C ATOM 483 O ARG A 32 6.286 8.413 -3.055 1.00 0.00 O ATOM 484 CB ARG A 32 6.162 11.034 -1.026 1.00 0.00 C ATOM 485 CG ARG A 32 7.320 11.358 -1.964 1.00 0.00 C ATOM 486 CD ARG A 32 8.256 12.347 -1.266 1.00 0.00 C ATOM 487 NE ARG A 32 7.598 13.637 -1.005 1.00 0.00 N ATOM 488 CZ ARG A 32 7.051 14.004 0.159 1.00 0.00 C ATOM 489 NH1 ARG A 32 7.066 13.204 1.218 1.00 0.00 N ATOM 490 NH2 ARG A 32 6.475 15.198 0.262 1.00 0.00 N ATOM 0 H ARG A 32 4.523 10.027 0.401 1.00 0.00 H new ATOM 0 HA ARG A 32 4.745 10.291 -2.505 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.598 11.946 -0.829 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.563 10.695 -0.071 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.860 10.448 -2.226 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.945 11.785 -2.894 1.00 0.00 H new ATOM 0 HD2 ARG A 32 8.600 11.918 -0.325 1.00 0.00 H new ATOM 0 HD3 ARG A 32 9.139 12.509 -1.884 1.00 0.00 H new ATOM 0 HE ARG A 32 7.556 14.306 -1.774 1.00 0.00 H new ATOM 0 HH11 ARG A 32 7.502 12.284 1.156 1.00 0.00 H new ATOM 0 HH12 ARG A 32 6.641 13.509 2.094 1.00 0.00 H new ATOM 0 HH21 ARG A 32 6.453 15.825 -0.542 1.00 0.00 H new ATOM 0 HH22 ARG A 32 6.055 15.487 1.145 1.00 0.00 H new ATOM 504 N VAL A 33 6.225 7.870 -0.869 1.00 0.00 N ATOM 505 CA VAL A 33 6.882 6.576 -0.995 1.00 0.00 C ATOM 506 C VAL A 33 6.071 5.622 -1.866 1.00 0.00 C ATOM 507 O VAL A 33 6.655 4.835 -2.606 1.00 0.00 O ATOM 508 CB VAL A 33 7.068 5.992 0.412 1.00 0.00 C ATOM 509 CG1 VAL A 33 7.327 4.490 0.399 1.00 0.00 C ATOM 510 CG2 VAL A 33 8.239 6.691 1.108 1.00 0.00 C ATOM 0 H VAL A 33 5.983 8.107 0.093 1.00 0.00 H new ATOM 0 HA VAL A 33 7.849 6.708 -1.480 1.00 0.00 H new ATOM 0 HB VAL A 33 6.136 6.162 0.951 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.451 4.133 1.422 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.483 3.979 -0.064 1.00 0.00 H new ATOM 0 HG13 VAL A 33 8.233 4.282 -0.170 1.00 0.00 H new ATOM 0 HG21 VAL A 33 8.369 6.275 2.107 1.00 0.00 H new ATOM 0 HG22 VAL A 33 9.150 6.538 0.529 1.00 0.00 H new ATOM 0 HG23 VAL A 33 8.032 7.759 1.184 1.00 0.00 H new ATOM 520 N PHE A 34 4.738 5.677 -1.790 1.00 0.00 N ATOM 521 CA PHE A 34 3.870 4.762 -2.519 1.00 0.00 C ATOM 522 C PHE A 34 3.322 5.381 -3.799 1.00 0.00 C ATOM 523 O PHE A 34 2.754 4.681 -4.637 1.00 0.00 O ATOM 524 CB PHE A 34 2.731 4.321 -1.602 1.00 0.00 C ATOM 525 CG PHE A 34 3.134 3.188 -0.682 1.00 0.00 C ATOM 526 CD1 PHE A 34 3.846 3.449 0.499 1.00 0.00 C ATOM 527 CD2 PHE A 34 2.808 1.867 -1.018 1.00 0.00 C ATOM 528 CE1 PHE A 34 4.237 2.394 1.330 1.00 0.00 C ATOM 529 CE2 PHE A 34 3.195 0.810 -0.183 1.00 0.00 C ATOM 530 CZ PHE A 34 3.912 1.072 0.990 1.00 0.00 C ATOM 0 H PHE A 34 4.236 6.358 -1.221 1.00 0.00 H new ATOM 0 HA PHE A 34 4.461 3.897 -2.821 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.400 5.170 -1.004 1.00 0.00 H new ATOM 0 HB3 PHE A 34 1.881 4.008 -2.208 1.00 0.00 H new ATOM 0 HD1 PHE A 34 4.092 4.466 0.767 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.256 1.663 -1.924 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.790 2.597 2.235 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.940 -0.206 -0.445 1.00 0.00 H new ATOM 0 HZ PHE A 34 4.215 0.258 1.632 1.00 0.00 H new ATOM 540 N GLU A 35 3.490 6.694 -3.960 1.00 0.00 N ATOM 541 CA GLU A 35 3.025 7.405 -5.148 1.00 0.00 C ATOM 542 C GLU A 35 3.766 6.945 -6.403 1.00 0.00 C ATOM 543 O GLU A 35 3.240 7.058 -7.509 1.00 0.00 O ATOM 544 CB GLU A 35 3.192 8.913 -4.928 1.00 0.00 C ATOM 545 CG GLU A 35 2.712 9.726 -6.127 1.00 0.00 C ATOM 546 CD GLU A 35 2.578 11.203 -5.758 1.00 0.00 C ATOM 547 OE1 GLU A 35 1.525 11.563 -5.182 1.00 0.00 O ATOM 548 OE2 GLU A 35 3.528 11.967 -6.051 1.00 0.00 O ATOM 0 H GLU A 35 3.950 7.291 -3.273 1.00 0.00 H new ATOM 0 HA GLU A 35 1.970 7.179 -5.305 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.634 9.213 -4.041 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.241 9.137 -4.736 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.414 9.614 -6.953 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.751 9.343 -6.471 1.00 0.00 H new ATOM 555 N LYS A 36 4.984 6.425 -6.243 1.00 0.00 N ATOM 556 CA LYS A 36 5.812 6.004 -7.363 1.00 0.00 C ATOM 557 C LYS A 36 5.347 4.676 -7.949 1.00 0.00 C ATOM 558 O LYS A 36 5.662 4.366 -9.096 1.00 0.00 O ATOM 559 CB LYS A 36 7.263 5.900 -6.899 1.00 0.00 C ATOM 560 CG LYS A 36 7.508 4.686 -5.999 1.00 0.00 C ATOM 561 CD LYS A 36 8.953 4.641 -5.500 1.00 0.00 C ATOM 562 CE LYS A 36 9.275 5.850 -4.621 1.00 0.00 C ATOM 563 NZ LYS A 36 10.653 5.776 -4.105 1.00 0.00 N ATOM 0 H LYS A 36 5.420 6.286 -5.331 1.00 0.00 H new ATOM 0 HA LYS A 36 5.725 6.750 -8.153 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.916 5.839 -7.770 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.534 6.808 -6.360 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.829 4.720 -5.147 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.283 3.772 -6.549 1.00 0.00 H new ATOM 0 HD2 LYS A 36 9.116 3.724 -4.934 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.633 4.616 -6.351 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.147 6.767 -5.197 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.573 5.896 -3.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.847 6.608 -3.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.765 4.912 -3.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 11.321 5.756 -4.902 1.00 0.00 H new ATOM 577 N TYR A 37 4.599 3.899 -7.162 1.00 0.00 N ATOM 578 CA TYR A 37 4.101 2.605 -7.599 1.00 0.00 C ATOM 579 C TYR A 37 2.907 2.771 -8.535 1.00 0.00 C ATOM 580 O TYR A 37 2.529 1.821 -9.218 1.00 0.00 O ATOM 581 CB TYR A 37 3.746 1.740 -6.391 1.00 0.00 C ATOM 582 CG TYR A 37 4.964 1.375 -5.579 1.00 0.00 C ATOM 583 CD1 TYR A 37 5.537 2.322 -4.719 1.00 0.00 C ATOM 584 CD2 TYR A 37 5.525 0.096 -5.689 1.00 0.00 C ATOM 585 CE1 TYR A 37 6.699 2.007 -3.999 1.00 0.00 C ATOM 586 CE2 TYR A 37 6.678 -0.229 -4.965 1.00 0.00 C ATOM 587 CZ TYR A 37 7.281 0.731 -4.129 1.00 0.00 C ATOM 588 OH TYR A 37 8.421 0.416 -3.450 1.00 0.00 O ATOM 0 H TYR A 37 4.326 4.152 -6.212 1.00 0.00 H new ATOM 0 HA TYR A 37 4.888 2.099 -8.159 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.036 2.274 -5.759 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.250 0.830 -6.730 1.00 0.00 H new ATOM 0 HD1 TYR A 37 5.083 3.296 -4.610 1.00 0.00 H new ATOM 0 HD2 TYR A 37 5.067 -0.640 -6.333 1.00 0.00 H new ATOM 0 HE1 TYR A 37 7.147 2.742 -3.346 1.00 0.00 H new ATOM 0 HE2 TYR A 37 7.106 -1.217 -5.047 1.00 0.00 H new ATOM 0 HH TYR A 37 8.681 -0.506 -3.657 1.00 0.00 H new ATOM 598 N GLY A 38 2.311 3.972 -8.573 1.00 0.00 N ATOM 599 CA GLY A 38 1.284 4.245 -9.570 1.00 0.00 C ATOM 600 C GLY A 38 0.295 5.306 -9.111 1.00 0.00 C ATOM 601 O GLY A 38 0.336 6.434 -9.595 1.00 0.00 O ATOM 0 H GLY A 38 2.519 4.745 -7.941 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.758 4.571 -10.496 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.746 3.324 -9.795 1.00 0.00 H new ATOM 605 N ARG A 39 -0.587 4.948 -8.171 1.00 0.00 N ATOM 606 CA ARG A 39 -1.572 5.884 -7.644 1.00 0.00 C ATOM 607 C ARG A 39 -1.934 5.560 -6.198 1.00 0.00 C ATOM 608 O ARG A 39 -2.710 4.652 -5.905 1.00 0.00 O ATOM 609 CB ARG A 39 -2.804 5.947 -8.557 1.00 0.00 C ATOM 610 CG ARG A 39 -3.569 4.625 -8.701 1.00 0.00 C ATOM 611 CD ARG A 39 -4.769 4.793 -9.632 1.00 0.00 C ATOM 612 NE ARG A 39 -5.682 5.837 -9.152 1.00 0.00 N ATOM 613 CZ ARG A 39 -6.975 5.918 -9.483 1.00 0.00 C ATOM 614 NH1 ARG A 39 -7.530 5.028 -10.299 1.00 0.00 N ATOM 615 NH2 ARG A 39 -7.719 6.906 -8.994 1.00 0.00 N ATOM 0 H ARG A 39 -0.634 4.014 -7.763 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.127 6.879 -7.634 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.486 6.705 -8.171 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.488 6.277 -9.547 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.904 3.855 -9.092 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.907 4.286 -7.722 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -4.421 5.045 -10.634 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -5.305 3.847 -9.710 1.00 0.00 H new ATOM 0 HE ARG A 39 -5.305 6.548 -8.525 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.968 4.268 -10.683 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -8.518 5.105 -10.541 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -7.303 7.597 -8.370 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -8.706 6.973 -9.243 1.00 0.00 H new ATOM 629 N VAL A 40 -1.356 6.329 -5.282 1.00 0.00 N ATOM 630 CA VAL A 40 -1.718 6.338 -3.871 1.00 0.00 C ATOM 631 C VAL A 40 -3.040 7.099 -3.725 1.00 0.00 C ATOM 632 O VAL A 40 -3.153 8.066 -2.975 1.00 0.00 O ATOM 633 CB VAL A 40 -0.565 6.939 -3.064 1.00 0.00 C ATOM 634 CG1 VAL A 40 -0.201 8.337 -3.567 1.00 0.00 C ATOM 635 CG2 VAL A 40 -0.873 6.956 -1.566 1.00 0.00 C ATOM 0 H VAL A 40 -0.603 6.980 -5.507 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.876 5.334 -3.478 1.00 0.00 H new ATOM 0 HB VAL A 40 0.302 6.295 -3.213 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.621 8.735 -2.972 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.102 8.280 -4.613 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.066 8.993 -3.475 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.031 7.390 -1.026 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.767 7.553 -1.385 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.041 5.937 -1.218 1.00 0.00 H new ATOM 645 N GLY A 41 -4.044 6.639 -4.473 1.00 0.00 N ATOM 646 CA GLY A 41 -5.350 7.273 -4.582 1.00 0.00 C ATOM 647 C GLY A 41 -6.012 7.558 -3.236 1.00 0.00 C ATOM 648 O GLY A 41 -6.940 8.360 -3.172 1.00 0.00 O ATOM 0 H GLY A 41 -3.964 5.791 -5.034 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -5.244 8.210 -5.130 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.006 6.632 -5.171 1.00 0.00 H new ATOM 652 N ASP A 42 -5.552 6.911 -2.162 1.00 0.00 N ATOM 653 CA ASP A 42 -6.021 7.224 -0.823 1.00 0.00 C ATOM 654 C ASP A 42 -4.961 6.827 0.201 1.00 0.00 C ATOM 655 O ASP A 42 -4.110 5.984 -0.074 1.00 0.00 O ATOM 656 CB ASP A 42 -7.344 6.510 -0.558 1.00 0.00 C ATOM 657 CG ASP A 42 -8.057 7.120 0.647 1.00 0.00 C ATOM 658 OD1 ASP A 42 -8.315 8.341 0.595 1.00 0.00 O ATOM 659 OD2 ASP A 42 -8.340 6.367 1.604 1.00 0.00 O ATOM 0 H ASP A 42 -4.855 6.168 -2.201 1.00 0.00 H new ATOM 0 HA ASP A 42 -6.192 8.297 -0.735 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -7.983 6.580 -1.438 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -7.161 5.450 -0.380 1.00 0.00 H new ATOM 664 N VAL A 43 -5.012 7.433 1.390 1.00 0.00 N ATOM 665 CA VAL A 43 -4.056 7.176 2.457 1.00 0.00 C ATOM 666 C VAL A 43 -4.691 7.559 3.788 1.00 0.00 C ATOM 667 O VAL A 43 -5.248 8.647 3.914 1.00 0.00 O ATOM 668 CB VAL A 43 -2.758 7.942 2.176 1.00 0.00 C ATOM 669 CG1 VAL A 43 -3.029 9.412 1.841 1.00 0.00 C ATOM 670 CG2 VAL A 43 -1.783 7.849 3.358 1.00 0.00 C ATOM 0 H VAL A 43 -5.725 8.120 1.636 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.797 6.118 2.506 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.299 7.470 1.308 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.085 9.921 1.648 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.662 9.473 0.955 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.534 9.889 2.681 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.874 8.403 3.124 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.248 8.274 4.248 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.534 6.804 3.543 1.00 0.00 H new ATOM 680 N TYR A 44 -4.614 6.668 4.781 1.00 0.00 N ATOM 681 CA TYR A 44 -5.167 6.954 6.094 1.00 0.00 C ATOM 682 C TYR A 44 -4.348 6.310 7.217 1.00 0.00 C ATOM 683 O TYR A 44 -3.647 5.324 7.001 1.00 0.00 O ATOM 684 CB TYR A 44 -6.624 6.505 6.148 1.00 0.00 C ATOM 685 CG TYR A 44 -7.370 7.164 7.284 1.00 0.00 C ATOM 686 CD1 TYR A 44 -7.395 8.565 7.381 1.00 0.00 C ATOM 687 CD2 TYR A 44 -8.022 6.381 8.246 1.00 0.00 C ATOM 688 CE1 TYR A 44 -8.042 9.181 8.461 1.00 0.00 C ATOM 689 CE2 TYR A 44 -8.687 6.991 9.317 1.00 0.00 C ATOM 690 CZ TYR A 44 -8.687 8.398 9.436 1.00 0.00 C ATOM 691 OH TYR A 44 -9.308 9.005 10.488 1.00 0.00 O ATOM 0 H TYR A 44 -4.176 5.751 4.695 1.00 0.00 H new ATOM 0 HA TYR A 44 -5.120 8.031 6.254 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -7.114 6.744 5.204 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -6.667 5.422 6.264 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -6.916 9.167 6.624 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -8.012 5.304 8.161 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -8.045 10.258 8.545 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -9.199 6.386 10.051 1.00 0.00 H new ATOM 0 HH TYR A 44 -9.706 8.324 11.070 1.00 0.00 H new ATOM 701 N ILE A 45 -4.460 6.884 8.420 1.00 0.00 N ATOM 702 CA ILE A 45 -3.877 6.363 9.649 1.00 0.00 C ATOM 703 C ILE A 45 -4.858 6.707 10.769 1.00 0.00 C ATOM 704 O ILE A 45 -4.819 7.809 11.317 1.00 0.00 O ATOM 705 CB ILE A 45 -2.492 6.955 9.925 1.00 0.00 C ATOM 706 CG1 ILE A 45 -1.496 6.566 8.822 1.00 0.00 C ATOM 707 CG2 ILE A 45 -1.998 6.396 11.263 1.00 0.00 C ATOM 708 CD1 ILE A 45 -0.086 7.068 9.126 1.00 0.00 C ATOM 0 H ILE A 45 -4.977 7.752 8.563 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.724 5.287 9.572 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.564 8.042 9.952 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.480 5.482 8.713 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.830 6.977 7.869 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.011 6.802 11.485 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.693 6.678 12.054 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.938 5.309 11.203 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.587 6.772 8.321 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.097 8.155 9.208 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.259 6.636 10.065 1.00 0.00 H new ATOM 720 N PRO A 46 -5.752 5.768 11.112 1.00 0.00 N ATOM 721 CA PRO A 46 -6.845 5.975 12.050 1.00 0.00 C ATOM 722 C PRO A 46 -6.467 6.304 13.489 1.00 0.00 C ATOM 723 O PRO A 46 -7.281 6.876 14.211 1.00 0.00 O ATOM 724 CB PRO A 46 -7.634 4.665 12.057 1.00 0.00 C ATOM 725 CG PRO A 46 -7.200 3.932 10.790 1.00 0.00 C ATOM 726 CD PRO A 46 -5.783 4.434 10.553 1.00 0.00 C ATOM 0 HA PRO A 46 -7.389 6.856 11.708 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -7.413 4.077 12.948 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -8.708 4.852 12.056 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -7.225 2.851 10.924 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.853 4.164 9.949 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -5.051 3.788 11.037 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.543 4.447 9.490 1.00 0.00 H new ATOM 734 N ARG A 47 -5.250 5.942 13.893 1.00 0.00 N ATOM 735 CA ARG A 47 -4.822 5.928 15.294 1.00 0.00 C ATOM 736 C ARG A 47 -6.021 5.590 16.184 1.00 0.00 C ATOM 737 O ARG A 47 -6.511 4.461 16.162 1.00 0.00 O ATOM 738 CB ARG A 47 -4.164 7.256 15.701 1.00 0.00 C ATOM 739 CG ARG A 47 -2.790 7.452 15.059 1.00 0.00 C ATOM 740 CD ARG A 47 -2.852 8.367 13.838 1.00 0.00 C ATOM 741 NE ARG A 47 -2.896 9.788 14.203 1.00 0.00 N ATOM 742 CZ ARG A 47 -3.352 10.749 13.399 1.00 0.00 C ATOM 743 NH1 ARG A 47 -3.869 10.452 12.210 1.00 0.00 N ATOM 744 NH2 ARG A 47 -3.285 12.019 13.784 1.00 0.00 N ATOM 0 H ARG A 47 -4.520 5.645 13.246 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.060 5.159 15.424 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -4.815 8.082 15.416 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.062 7.290 16.786 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -2.104 7.874 15.793 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -2.386 6.483 14.765 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -1.983 8.184 13.206 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.734 8.119 13.247 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.557 10.056 15.127 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.920 9.480 11.904 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -4.215 11.196 11.604 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -2.886 12.256 14.692 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -3.633 12.757 13.171 1.00 0.00 H new ATOM 758 N ASP A 48 -6.485 6.571 16.956 1.00 0.00 N ATOM 759 CA ASP A 48 -7.698 6.515 17.763 1.00 0.00 C ATOM 760 C ASP A 48 -8.265 7.928 17.752 1.00 0.00 C ATOM 761 O ASP A 48 -7.540 8.877 18.048 1.00 0.00 O ATOM 762 CB ASP A 48 -7.360 6.088 19.190 1.00 0.00 C ATOM 763 CG ASP A 48 -6.969 4.616 19.263 1.00 0.00 C ATOM 764 OD1 ASP A 48 -7.895 3.776 19.217 1.00 0.00 O ATOM 765 OD2 ASP A 48 -5.751 4.341 19.364 1.00 0.00 O ATOM 0 H ASP A 48 -6.002 7.466 17.038 1.00 0.00 H new ATOM 0 HA ASP A 48 -8.414 5.793 17.370 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -6.542 6.701 19.569 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -8.219 6.268 19.836 1.00 0.00 H new ATOM 770 N ARG A 49 -9.546 8.082 17.414 1.00 0.00 N ATOM 771 CA ARG A 49 -10.140 9.398 17.192 1.00 0.00 C ATOM 772 C ARG A 49 -10.338 10.207 18.484 1.00 0.00 C ATOM 773 O ARG A 49 -11.153 11.129 18.508 1.00 0.00 O ATOM 774 CB ARG A 49 -11.417 9.251 16.366 1.00 0.00 C ATOM 775 CG ARG A 49 -12.599 8.706 17.172 1.00 0.00 C ATOM 776 CD ARG A 49 -13.799 8.492 16.246 1.00 0.00 C ATOM 777 NE ARG A 49 -14.118 9.695 15.470 1.00 0.00 N ATOM 778 CZ ARG A 49 -14.649 10.811 15.970 1.00 0.00 C ATOM 779 NH1 ARG A 49 -14.966 10.900 17.261 1.00 0.00 N ATOM 780 NH2 ARG A 49 -14.864 11.849 15.168 1.00 0.00 N ATOM 0 H ARG A 49 -10.195 7.305 17.288 1.00 0.00 H new ATOM 0 HA ARG A 49 -9.432 9.996 16.618 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -11.686 10.222 15.950 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -11.223 8.586 15.524 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -12.323 7.766 17.650 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -12.861 9.403 17.968 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -13.589 7.667 15.565 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -14.667 8.203 16.839 1.00 0.00 H new ATOM 0 HE ARG A 49 -13.918 9.676 14.470 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -14.803 10.107 17.882 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -15.372 11.761 17.628 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -14.623 11.788 14.179 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -15.270 12.707 15.542 1.00 0.00 H new ATOM 794 N TYR A 50 -9.602 9.869 19.548 1.00 0.00 N ATOM 795 CA TYR A 50 -9.690 10.564 20.830 1.00 0.00 C ATOM 796 C TYR A 50 -8.299 10.854 21.404 1.00 0.00 C ATOM 797 O TYR A 50 -8.183 11.544 22.416 1.00 0.00 O ATOM 798 CB TYR A 50 -10.466 9.710 21.838 1.00 0.00 C ATOM 799 CG TYR A 50 -11.671 8.994 21.286 1.00 0.00 C ATOM 800 CD1 TYR A 50 -12.870 9.687 21.051 1.00 0.00 C ATOM 801 CD2 TYR A 50 -11.587 7.621 21.015 1.00 0.00 C ATOM 802 CE1 TYR A 50 -13.988 9.002 20.554 1.00 0.00 C ATOM 803 CE2 TYR A 50 -12.697 6.931 20.517 1.00 0.00 C ATOM 804 CZ TYR A 50 -13.904 7.623 20.278 1.00 0.00 C ATOM 805 OH TYR A 50 -14.987 6.959 19.790 1.00 0.00 O ATOM 0 H TYR A 50 -8.928 9.104 19.541 1.00 0.00 H new ATOM 0 HA TYR A 50 -10.206 11.508 20.657 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -9.787 8.970 22.260 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -10.789 10.351 22.658 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -12.931 10.746 21.253 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -10.661 7.094 21.192 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -14.914 9.532 20.383 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -12.631 5.872 20.316 1.00 0.00 H new ATOM 0 HH TYR A 50 -14.759 6.016 19.654 1.00 0.00 H new ATOM 815 N THR A 51 -7.246 10.328 20.766 1.00 0.00 N ATOM 816 CA THR A 51 -5.870 10.487 21.227 1.00 0.00 C ATOM 817 C THR A 51 -4.931 10.704 20.040 1.00 0.00 C ATOM 818 O THR A 51 -3.902 11.366 20.167 1.00 0.00 O ATOM 819 CB THR A 51 -5.443 9.239 22.008 1.00 0.00 C ATOM 820 OG1 THR A 51 -5.257 8.168 21.110 1.00 0.00 O ATOM 821 CG2 THR A 51 -6.490 8.820 23.043 1.00 0.00 C ATOM 0 H THR A 51 -7.330 9.778 19.911 1.00 0.00 H new ATOM 0 HA THR A 51 -5.814 11.360 21.878 1.00 0.00 H new ATOM 0 HB THR A 51 -4.518 9.483 22.531 1.00 0.00 H new ATOM 0 HG1 THR A 51 -4.982 7.369 21.606 1.00 0.00 H new ATOM 0 HG21 THR A 51 -6.144 7.932 23.572 1.00 0.00 H new ATOM 0 HG22 THR A 51 -6.642 9.630 23.756 1.00 0.00 H new ATOM 0 HG23 THR A 51 -7.431 8.599 22.540 1.00 0.00 H new ATOM 828 N LYS A 52 -5.301 10.138 18.885 1.00 0.00 N ATOM 829 CA LYS A 52 -4.655 10.325 17.593 1.00 0.00 C ATOM 830 C LYS A 52 -3.135 10.159 17.643 1.00 0.00 C ATOM 831 O LYS A 52 -2.424 10.837 16.904 1.00 0.00 O ATOM 832 CB LYS A 52 -5.082 11.673 17.002 1.00 0.00 C ATOM 833 CG LYS A 52 -6.610 11.784 16.960 1.00 0.00 C ATOM 834 CD LYS A 52 -7.056 13.099 16.320 1.00 0.00 C ATOM 835 CE LYS A 52 -6.710 13.158 14.828 1.00 0.00 C ATOM 836 NZ LYS A 52 -7.470 12.158 14.053 1.00 0.00 N ATOM 0 H LYS A 52 -6.100 9.506 18.830 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.992 9.528 16.930 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.669 12.485 17.600 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.676 11.780 15.996 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -7.022 10.946 16.398 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -7.009 11.716 17.972 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.132 13.218 16.448 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -6.580 13.933 16.836 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.923 14.155 14.444 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -5.642 12.987 14.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.383 12.366 13.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.091 11.209 14.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -8.472 12.193 14.329 1.00 0.00 H new ATOM 850 N GLU A 53 -2.632 9.269 18.507 1.00 0.00 N ATOM 851 CA GLU A 53 -1.187 9.126 18.695 1.00 0.00 C ATOM 852 C GLU A 53 -0.723 7.667 18.746 1.00 0.00 C ATOM 853 O GLU A 53 0.424 7.411 19.111 1.00 0.00 O ATOM 854 CB GLU A 53 -0.771 9.885 19.960 1.00 0.00 C ATOM 855 CG GLU A 53 -1.366 9.250 21.220 1.00 0.00 C ATOM 856 CD GLU A 53 -0.931 10.012 22.466 1.00 0.00 C ATOM 857 OE1 GLU A 53 0.243 9.838 22.870 1.00 0.00 O ATOM 858 OE2 GLU A 53 -1.768 10.764 23.013 1.00 0.00 O ATOM 0 H GLU A 53 -3.199 8.644 19.080 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.694 9.556 17.823 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.316 9.897 20.037 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.097 10.923 19.886 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.454 9.246 21.152 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.047 8.210 21.294 1.00 0.00 H new ATOM 865 N SER A 54 -1.583 6.706 18.389 1.00 0.00 N ATOM 866 CA SER A 54 -1.216 5.291 18.416 1.00 0.00 C ATOM 867 C SER A 54 -0.035 4.996 17.488 1.00 0.00 C ATOM 868 O SER A 54 0.747 4.089 17.764 1.00 0.00 O ATOM 869 CB SER A 54 -2.431 4.452 18.019 1.00 0.00 C ATOM 870 OG SER A 54 -2.119 3.081 18.084 1.00 0.00 O ATOM 0 H SER A 54 -2.538 6.886 18.078 1.00 0.00 H new ATOM 0 HA SER A 54 -0.903 5.032 19.427 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.267 4.674 18.682 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.747 4.713 17.009 1.00 0.00 H new ATOM 0 HG SER A 54 -2.905 2.554 17.829 1.00 0.00 H new ATOM 876 N ARG A 55 0.081 5.768 16.397 1.00 0.00 N ATOM 877 CA ARG A 55 1.178 5.756 15.430 1.00 0.00 C ATOM 878 C ARG A 55 1.939 4.430 15.375 1.00 0.00 C ATOM 879 O ARG A 55 3.052 4.320 15.888 1.00 0.00 O ATOM 880 CB ARG A 55 2.114 6.927 15.739 1.00 0.00 C ATOM 881 CG ARG A 55 3.046 7.195 14.563 1.00 0.00 C ATOM 882 CD ARG A 55 4.010 8.299 14.982 1.00 0.00 C ATOM 883 NE ARG A 55 4.818 8.774 13.853 1.00 0.00 N ATOM 884 CZ ARG A 55 5.760 9.716 13.958 1.00 0.00 C ATOM 885 NH1 ARG A 55 6.050 10.257 15.137 1.00 0.00 N ATOM 886 NH2 ARG A 55 6.419 10.121 12.879 1.00 0.00 N ATOM 0 H ARG A 55 -0.633 6.456 16.156 1.00 0.00 H new ATOM 0 HA ARG A 55 0.747 5.868 14.435 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.528 7.820 15.956 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.700 6.705 16.631 1.00 0.00 H new ATOM 0 HG2 ARG A 55 3.593 6.291 14.294 1.00 0.00 H new ATOM 0 HG3 ARG A 55 2.477 7.497 13.684 1.00 0.00 H new ATOM 0 HD2 ARG A 55 3.447 9.133 15.403 1.00 0.00 H new ATOM 0 HD3 ARG A 55 4.667 7.929 15.769 1.00 0.00 H new ATOM 0 HE ARG A 55 4.651 8.361 12.935 1.00 0.00 H new ATOM 0 HH11 ARG A 55 5.552 9.954 15.974 1.00 0.00 H new ATOM 0 HH12 ARG A 55 6.771 10.975 15.205 1.00 0.00 H new ATOM 0 HH21 ARG A 55 6.206 9.713 11.969 1.00 0.00 H new ATOM 0 HH22 ARG A 55 7.138 10.840 12.960 1.00 0.00 H new ATOM 900 N GLY A 56 1.329 3.423 14.751 1.00 0.00 N ATOM 901 CA GLY A 56 1.930 2.098 14.633 1.00 0.00 C ATOM 902 C GLY A 56 1.444 1.313 13.414 1.00 0.00 C ATOM 903 O GLY A 56 1.896 0.190 13.198 1.00 0.00 O ATOM 0 H GLY A 56 0.410 3.503 14.316 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.014 2.203 14.579 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.710 1.526 15.535 1.00 0.00 H new ATOM 907 N PHE A 57 0.534 1.879 12.615 1.00 0.00 N ATOM 908 CA PHE A 57 0.047 1.232 11.408 1.00 0.00 C ATOM 909 C PHE A 57 -0.520 2.274 10.452 1.00 0.00 C ATOM 910 O PHE A 57 -0.525 3.462 10.762 1.00 0.00 O ATOM 911 CB PHE A 57 -1.006 0.183 11.763 1.00 0.00 C ATOM 912 CG PHE A 57 -2.335 0.783 12.142 1.00 0.00 C ATOM 913 CD1 PHE A 57 -2.534 1.309 13.423 1.00 0.00 C ATOM 914 CD2 PHE A 57 -3.370 0.815 11.201 1.00 0.00 C ATOM 915 CE1 PHE A 57 -3.765 1.879 13.765 1.00 0.00 C ATOM 916 CE2 PHE A 57 -4.605 1.383 11.541 1.00 0.00 C ATOM 917 CZ PHE A 57 -4.805 1.913 12.823 1.00 0.00 C ATOM 0 H PHE A 57 0.120 2.794 12.792 1.00 0.00 H new ATOM 0 HA PHE A 57 0.876 0.727 10.911 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -1.145 -0.485 10.913 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.640 -0.425 12.590 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.736 1.275 14.149 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -3.217 0.403 10.215 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.915 2.292 14.752 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -5.404 1.412 10.814 1.00 0.00 H new ATOM 0 HZ PHE A 57 -5.758 2.347 13.086 1.00 0.00 H new ATOM 927 N ALA A 58 -0.998 1.825 9.289 1.00 0.00 N ATOM 928 CA ALA A 58 -1.579 2.712 8.294 1.00 0.00 C ATOM 929 C ALA A 58 -2.581 1.975 7.414 1.00 0.00 C ATOM 930 O ALA A 58 -2.873 0.797 7.622 1.00 0.00 O ATOM 931 CB ALA A 58 -0.467 3.312 7.428 1.00 0.00 C ATOM 0 H ALA A 58 -0.991 0.842 9.017 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.110 3.509 8.815 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.905 3.976 6.683 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.221 3.876 8.058 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.075 2.511 6.926 1.00 0.00 H new ATOM 937 N PHE A 59 -3.101 2.698 6.423 1.00 0.00 N ATOM 938 CA PHE A 59 -4.063 2.222 5.450 1.00 0.00 C ATOM 939 C PHE A 59 -3.831 2.973 4.138 1.00 0.00 C ATOM 940 O PHE A 59 -4.742 3.610 3.609 1.00 0.00 O ATOM 941 CB PHE A 59 -5.470 2.453 6.007 1.00 0.00 C ATOM 942 CG PHE A 59 -6.513 1.485 5.499 1.00 0.00 C ATOM 943 CD1 PHE A 59 -6.528 1.071 4.157 1.00 0.00 C ATOM 944 CD2 PHE A 59 -7.473 0.991 6.396 1.00 0.00 C ATOM 945 CE1 PHE A 59 -7.501 0.163 3.714 1.00 0.00 C ATOM 946 CE2 PHE A 59 -8.440 0.081 5.948 1.00 0.00 C ATOM 947 CZ PHE A 59 -8.456 -0.335 4.611 1.00 0.00 C ATOM 0 H PHE A 59 -2.847 3.675 6.276 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.949 1.156 5.255 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -5.432 2.388 7.094 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -5.783 3.467 5.759 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.790 1.452 3.466 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -7.466 1.311 7.427 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -7.514 -0.153 2.681 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -9.177 -0.302 6.638 1.00 0.00 H new ATOM 0 HZ PHE A 59 -9.202 -1.038 4.272 1.00 0.00 H new ATOM 957 N VAL A 60 -2.604 2.912 3.607 1.00 0.00 N ATOM 958 CA VAL A 60 -2.342 3.497 2.291 1.00 0.00 C ATOM 959 C VAL A 60 -3.081 2.635 1.278 1.00 0.00 C ATOM 960 O VAL A 60 -3.157 1.423 1.479 1.00 0.00 O ATOM 961 CB VAL A 60 -0.843 3.525 1.963 1.00 0.00 C ATOM 962 CG1 VAL A 60 -0.581 4.481 0.806 1.00 0.00 C ATOM 963 CG2 VAL A 60 -0.009 3.954 3.170 1.00 0.00 C ATOM 0 H VAL A 60 -1.798 2.476 4.055 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.683 4.532 2.270 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.548 2.513 1.686 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.485 4.495 0.580 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.134 4.149 -0.073 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.906 5.484 1.082 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.047 3.962 2.899 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.310 4.953 3.484 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.168 3.253 3.990 1.00 0.00 H new ATOM 973 N ARG A 61 -3.627 3.218 0.207 1.00 0.00 N ATOM 974 CA ARG A 61 -4.476 2.447 -0.685 1.00 0.00 C ATOM 975 C ARG A 61 -4.356 2.827 -2.151 1.00 0.00 C ATOM 976 O ARG A 61 -3.987 3.946 -2.499 1.00 0.00 O ATOM 977 CB ARG A 61 -5.925 2.555 -0.181 1.00 0.00 C ATOM 978 CG ARG A 61 -6.983 2.148 -1.215 1.00 0.00 C ATOM 979 CD ARG A 61 -8.346 1.956 -0.559 1.00 0.00 C ATOM 980 NE ARG A 61 -8.688 3.081 0.317 1.00 0.00 N ATOM 981 CZ ARG A 61 -9.300 2.949 1.496 1.00 0.00 C ATOM 982 NH1 ARG A 61 -9.714 1.762 1.925 1.00 0.00 N ATOM 983 NH2 ARG A 61 -9.501 4.014 2.260 1.00 0.00 N ATOM 0 H ARG A 61 -3.498 4.196 -0.053 1.00 0.00 H new ATOM 0 HA ARG A 61 -4.137 1.412 -0.657 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.038 1.928 0.704 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.114 3.582 0.130 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.053 2.913 -1.989 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.679 1.224 -1.707 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -9.109 1.849 -1.330 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -8.345 1.032 0.019 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.443 4.021 0.007 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.566 0.932 1.351 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -10.180 1.680 2.829 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.188 4.933 1.947 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.969 3.914 3.161 1.00 0.00 H new ATOM 997 N PHE A 62 -4.685 1.842 -2.994 1.00 0.00 N ATOM 998 CA PHE A 62 -4.676 1.968 -4.450 1.00 0.00 C ATOM 999 C PHE A 62 -6.030 1.562 -5.035 1.00 0.00 C ATOM 1000 O PHE A 62 -6.831 0.920 -4.353 1.00 0.00 O ATOM 1001 CB PHE A 62 -3.577 1.081 -5.038 1.00 0.00 C ATOM 1002 CG PHE A 62 -2.172 1.476 -4.636 1.00 0.00 C ATOM 1003 CD1 PHE A 62 -1.734 1.290 -3.317 1.00 0.00 C ATOM 1004 CD2 PHE A 62 -1.308 2.026 -5.591 1.00 0.00 C ATOM 1005 CE1 PHE A 62 -0.440 1.672 -2.947 1.00 0.00 C ATOM 1006 CE2 PHE A 62 -0.005 2.391 -5.224 1.00 0.00 C ATOM 1007 CZ PHE A 62 0.427 2.218 -3.904 1.00 0.00 C ATOM 0 H PHE A 62 -4.970 0.917 -2.673 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.483 3.010 -4.707 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.754 0.051 -4.729 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -3.651 1.105 -6.125 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -2.397 0.851 -2.586 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -1.644 2.169 -6.607 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.110 1.547 -1.926 1.00 0.00 H new ATOM 0 HE2 PHE A 62 0.666 2.806 -5.961 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.429 2.505 -3.622 1.00 0.00 H new ATOM 1017 N HIS A 63 -6.273 1.936 -6.298 1.00 0.00 N ATOM 1018 CA HIS A 63 -7.552 1.709 -6.965 1.00 0.00 C ATOM 1019 C HIS A 63 -7.392 1.051 -8.338 1.00 0.00 C ATOM 1020 O HIS A 63 -8.366 0.948 -9.080 1.00 0.00 O ATOM 1021 CB HIS A 63 -8.300 3.035 -7.107 1.00 0.00 C ATOM 1022 CG HIS A 63 -8.518 3.742 -5.799 1.00 0.00 C ATOM 1023 ND1 HIS A 63 -9.279 3.275 -4.727 1.00 0.00 N ATOM 1024 CD2 HIS A 63 -7.994 4.963 -5.482 1.00 0.00 C ATOM 1025 CE1 HIS A 63 -9.187 4.230 -3.786 1.00 0.00 C ATOM 1026 NE2 HIS A 63 -8.423 5.254 -4.208 1.00 0.00 N ATOM 0 H HIS A 63 -5.583 2.406 -6.884 1.00 0.00 H new ATOM 0 HA HIS A 63 -8.124 1.019 -6.345 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -7.741 3.689 -7.776 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -9.266 2.850 -7.577 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -9.795 2.397 -4.670 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -7.366 5.579 -6.109 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -9.664 4.182 -2.818 1.00 0.00 H new ATOM 1034 N ASP A 64 -6.184 0.603 -8.684 1.00 0.00 N ATOM 1035 CA ASP A 64 -5.951 -0.154 -9.910 1.00 0.00 C ATOM 1036 C ASP A 64 -5.065 -1.355 -9.605 1.00 0.00 C ATOM 1037 O ASP A 64 -4.032 -1.226 -8.951 1.00 0.00 O ATOM 1038 CB ASP A 64 -5.314 0.737 -10.978 1.00 0.00 C ATOM 1039 CG ASP A 64 -6.364 1.580 -11.696 1.00 0.00 C ATOM 1040 OD1 ASP A 64 -7.136 0.986 -12.486 1.00 0.00 O ATOM 1041 OD2 ASP A 64 -6.392 2.805 -11.450 1.00 0.00 O ATOM 0 H ASP A 64 -5.345 0.755 -8.124 1.00 0.00 H new ATOM 0 HA ASP A 64 -6.905 -0.510 -10.299 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.574 1.390 -10.515 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.784 0.118 -11.702 1.00 0.00 H new ATOM 1046 N LYS A 65 -5.479 -2.528 -10.089 1.00 0.00 N ATOM 1047 CA LYS A 65 -4.858 -3.791 -9.722 1.00 0.00 C ATOM 1048 C LYS A 65 -3.401 -3.902 -10.164 1.00 0.00 C ATOM 1049 O LYS A 65 -2.602 -4.507 -9.459 1.00 0.00 O ATOM 1050 CB LYS A 65 -5.690 -4.944 -10.281 1.00 0.00 C ATOM 1051 CG LYS A 65 -5.652 -4.987 -11.813 1.00 0.00 C ATOM 1052 CD LYS A 65 -6.613 -6.047 -12.359 1.00 0.00 C ATOM 1053 CE LYS A 65 -6.298 -7.437 -11.805 1.00 0.00 C ATOM 1054 NZ LYS A 65 -4.971 -7.919 -12.234 1.00 0.00 N ATOM 0 H LYS A 65 -6.254 -2.623 -10.745 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.837 -3.840 -8.633 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.317 -5.887 -9.882 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.722 -4.842 -9.946 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.918 -4.009 -12.214 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.638 -5.204 -12.149 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -7.637 -5.776 -12.102 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -6.552 -6.067 -13.447 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -6.339 -7.410 -10.716 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.063 -8.140 -12.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -4.988 -8.956 -12.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -4.732 -7.503 -13.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -4.256 -7.639 -11.532 1.00 0.00 H new ATOM 1068 N ARG A 66 -3.037 -3.331 -11.317 1.00 0.00 N ATOM 1069 CA ARG A 66 -1.678 -3.491 -11.821 1.00 0.00 C ATOM 1070 C ARG A 66 -0.683 -2.738 -10.937 1.00 0.00 C ATOM 1071 O ARG A 66 0.420 -3.225 -10.684 1.00 0.00 O ATOM 1072 CB ARG A 66 -1.609 -3.051 -13.287 1.00 0.00 C ATOM 1073 CG ARG A 66 -1.880 -1.554 -13.450 1.00 0.00 C ATOM 1074 CD ARG A 66 -1.933 -1.182 -14.933 1.00 0.00 C ATOM 1075 NE ARG A 66 -0.650 -1.461 -15.588 1.00 0.00 N ATOM 1076 CZ ARG A 66 -0.378 -1.153 -16.858 1.00 0.00 C ATOM 1077 NH1 ARG A 66 -1.292 -0.569 -17.630 1.00 0.00 N ATOM 1078 NH2 ARG A 66 0.819 -1.437 -17.363 1.00 0.00 N ATOM 0 H ARG A 66 -3.652 -2.767 -11.904 1.00 0.00 H new ATOM 0 HA ARG A 66 -1.398 -4.544 -11.782 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.624 -3.287 -13.690 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.336 -3.617 -13.870 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -2.823 -1.294 -12.969 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -1.099 -0.980 -12.952 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -2.727 -1.744 -15.425 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -2.178 -0.125 -15.039 1.00 0.00 H new ATOM 0 HE ARG A 66 0.078 -1.918 -15.039 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -2.214 -0.351 -17.253 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -1.070 -0.339 -18.599 1.00 0.00 H new ATOM 0 HH21 ARG A 66 1.524 -1.888 -16.780 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.032 -1.204 -18.333 1.00 0.00 H new ATOM 1092 N ASP A 67 -1.068 -1.549 -10.465 1.00 0.00 N ATOM 1093 CA ASP A 67 -0.224 -0.757 -9.586 1.00 0.00 C ATOM 1094 C ASP A 67 -0.264 -1.323 -8.169 1.00 0.00 C ATOM 1095 O ASP A 67 0.691 -1.174 -7.410 1.00 0.00 O ATOM 1096 CB ASP A 67 -0.721 0.688 -9.577 1.00 0.00 C ATOM 1097 CG ASP A 67 -0.713 1.298 -10.980 1.00 0.00 C ATOM 1098 OD1 ASP A 67 0.348 1.248 -11.638 1.00 0.00 O ATOM 1099 OD2 ASP A 67 -1.783 1.811 -11.385 1.00 0.00 O ATOM 0 H ASP A 67 -1.966 -1.117 -10.683 1.00 0.00 H new ATOM 0 HA ASP A 67 0.803 -0.790 -9.949 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -1.732 0.723 -9.171 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -0.092 1.285 -8.917 1.00 0.00 H new ATOM 1104 N ALA A 68 -1.377 -1.979 -7.818 1.00 0.00 N ATOM 1105 CA ALA A 68 -1.552 -2.568 -6.503 1.00 0.00 C ATOM 1106 C ALA A 68 -0.791 -3.885 -6.373 1.00 0.00 C ATOM 1107 O ALA A 68 -0.264 -4.189 -5.303 1.00 0.00 O ATOM 1108 CB ALA A 68 -3.039 -2.816 -6.267 1.00 0.00 C ATOM 0 H ALA A 68 -2.173 -2.111 -8.441 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.155 -1.877 -5.760 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -3.182 -3.259 -5.281 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.579 -1.871 -6.322 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.420 -3.496 -7.029 1.00 0.00 H new ATOM 1114 N GLU A 69 -0.723 -4.672 -7.449 1.00 0.00 N ATOM 1115 CA GLU A 69 -0.003 -5.934 -7.419 1.00 0.00 C ATOM 1116 C GLU A 69 1.501 -5.689 -7.360 1.00 0.00 C ATOM 1117 O GLU A 69 2.221 -6.472 -6.744 1.00 0.00 O ATOM 1118 CB GLU A 69 -0.355 -6.769 -8.651 1.00 0.00 C ATOM 1119 CG GLU A 69 -1.753 -7.376 -8.517 1.00 0.00 C ATOM 1120 CD GLU A 69 -2.158 -8.093 -9.800 1.00 0.00 C ATOM 1121 OE1 GLU A 69 -1.845 -9.299 -9.913 1.00 0.00 O ATOM 1122 OE2 GLU A 69 -2.781 -7.436 -10.663 1.00 0.00 O ATOM 0 H GLU A 69 -1.158 -4.454 -8.345 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.299 -6.483 -6.525 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.309 -6.145 -9.544 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.380 -7.563 -8.779 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.771 -8.077 -7.682 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.475 -6.591 -8.290 1.00 0.00 H new ATOM 1129 N ASP A 70 1.991 -4.613 -7.986 1.00 0.00 N ATOM 1130 CA ASP A 70 3.398 -4.263 -7.862 1.00 0.00 C ATOM 1131 C ASP A 70 3.692 -3.732 -6.463 1.00 0.00 C ATOM 1132 O ASP A 70 4.746 -4.018 -5.894 1.00 0.00 O ATOM 1133 CB ASP A 70 3.758 -3.187 -8.885 1.00 0.00 C ATOM 1134 CG ASP A 70 3.829 -3.729 -10.317 1.00 0.00 C ATOM 1135 OD1 ASP A 70 3.981 -4.961 -10.476 1.00 0.00 O ATOM 1136 OD2 ASP A 70 3.731 -2.896 -11.244 1.00 0.00 O ATOM 0 H ASP A 70 1.441 -3.984 -8.571 1.00 0.00 H new ATOM 0 HA ASP A 70 3.992 -5.159 -8.041 1.00 0.00 H new ATOM 0 HB2 ASP A 70 3.018 -2.388 -8.840 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.719 -2.747 -8.620 1.00 0.00 H new ATOM 1141 N ALA A 71 2.760 -2.956 -5.902 1.00 0.00 N ATOM 1142 CA ALA A 71 2.958 -2.343 -4.600 1.00 0.00 C ATOM 1143 C ALA A 71 3.174 -3.392 -3.514 1.00 0.00 C ATOM 1144 O ALA A 71 3.918 -3.139 -2.572 1.00 0.00 O ATOM 1145 CB ALA A 71 1.750 -1.468 -4.271 1.00 0.00 C ATOM 0 H ALA A 71 1.862 -2.742 -6.336 1.00 0.00 H new ATOM 0 HA ALA A 71 3.857 -1.728 -4.636 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.892 -1.004 -3.295 1.00 0.00 H new ATOM 0 HB2 ALA A 71 1.645 -0.692 -5.029 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.850 -2.082 -4.254 1.00 0.00 H new ATOM 1151 N MET A 72 2.541 -4.564 -3.622 1.00 0.00 N ATOM 1152 CA MET A 72 2.742 -5.607 -2.625 1.00 0.00 C ATOM 1153 C MET A 72 3.907 -6.513 -3.021 1.00 0.00 C ATOM 1154 O MET A 72 4.570 -7.083 -2.162 1.00 0.00 O ATOM 1155 CB MET A 72 1.459 -6.422 -2.434 1.00 0.00 C ATOM 1156 CG MET A 72 1.154 -7.231 -3.685 1.00 0.00 C ATOM 1157 SD MET A 72 -0.386 -8.177 -3.631 1.00 0.00 S ATOM 1158 CE MET A 72 -0.172 -9.089 -5.181 1.00 0.00 C ATOM 0 H MET A 72 1.898 -4.807 -4.376 1.00 0.00 H new ATOM 0 HA MET A 72 2.989 -5.133 -1.675 1.00 0.00 H new ATOM 0 HB2 MET A 72 1.568 -7.089 -1.579 1.00 0.00 H new ATOM 0 HB3 MET A 72 0.626 -5.755 -2.213 1.00 0.00 H new ATOM 0 HG2 MET A 72 1.116 -6.552 -4.537 1.00 0.00 H new ATOM 0 HG3 MET A 72 1.979 -7.920 -3.863 1.00 0.00 H new ATOM 0 HE1 MET A 72 -1.134 -9.180 -5.685 1.00 0.00 H new ATOM 0 HE2 MET A 72 0.526 -8.554 -5.825 1.00 0.00 H new ATOM 0 HE3 MET A 72 0.221 -10.083 -4.967 1.00 0.00 H new ATOM 1168 N ASP A 73 4.170 -6.653 -4.325 1.00 0.00 N ATOM 1169 CA ASP A 73 5.282 -7.457 -4.811 1.00 0.00 C ATOM 1170 C ASP A 73 6.627 -6.812 -4.466 1.00 0.00 C ATOM 1171 O ASP A 73 7.673 -7.433 -4.655 1.00 0.00 O ATOM 1172 CB ASP A 73 5.143 -7.648 -6.323 1.00 0.00 C ATOM 1173 CG ASP A 73 6.227 -8.567 -6.888 1.00 0.00 C ATOM 1174 OD1 ASP A 73 6.242 -9.756 -6.492 1.00 0.00 O ATOM 1175 OD2 ASP A 73 7.034 -8.081 -7.712 1.00 0.00 O ATOM 0 H ASP A 73 3.619 -6.214 -5.063 1.00 0.00 H new ATOM 0 HA ASP A 73 5.255 -8.430 -4.320 1.00 0.00 H new ATOM 0 HB2 ASP A 73 4.161 -8.066 -6.547 1.00 0.00 H new ATOM 0 HB3 ASP A 73 5.197 -6.678 -6.817 1.00 0.00 H new ATOM 1180 N ALA A 74 6.609 -5.575 -3.956 1.00 0.00 N ATOM 1181 CA ALA A 74 7.830 -4.860 -3.611 1.00 0.00 C ATOM 1182 C ALA A 74 7.793 -4.210 -2.224 1.00 0.00 C ATOM 1183 O ALA A 74 8.820 -3.707 -1.767 1.00 0.00 O ATOM 1184 CB ALA A 74 8.066 -3.806 -4.683 1.00 0.00 C ATOM 0 H ALA A 74 5.753 -5.051 -3.774 1.00 0.00 H new ATOM 0 HA ALA A 74 8.646 -5.582 -3.569 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.976 -3.251 -4.454 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.172 -4.291 -5.653 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.220 -3.120 -4.711 1.00 0.00 H new ATOM 1190 N MET A 75 6.641 -4.207 -1.544 1.00 0.00 N ATOM 1191 CA MET A 75 6.564 -3.702 -0.173 1.00 0.00 C ATOM 1192 C MET A 75 6.076 -4.755 0.823 1.00 0.00 C ATOM 1193 O MET A 75 6.385 -4.642 2.007 1.00 0.00 O ATOM 1194 CB MET A 75 5.609 -2.512 -0.088 1.00 0.00 C ATOM 1195 CG MET A 75 6.029 -1.308 -0.933 1.00 0.00 C ATOM 1196 SD MET A 75 7.452 -0.381 -0.301 1.00 0.00 S ATOM 1197 CE MET A 75 6.917 1.289 -0.762 1.00 0.00 C ATOM 0 H MET A 75 5.756 -4.547 -1.920 1.00 0.00 H new ATOM 0 HA MET A 75 7.581 -3.411 0.090 1.00 0.00 H new ATOM 0 HB2 MET A 75 4.616 -2.834 -0.403 1.00 0.00 H new ATOM 0 HB3 MET A 75 5.527 -2.200 0.953 1.00 0.00 H new ATOM 0 HG2 MET A 75 6.260 -1.654 -1.941 1.00 0.00 H new ATOM 0 HG3 MET A 75 5.181 -0.629 -1.016 1.00 0.00 H new ATOM 0 HE1 MET A 75 7.710 1.783 -1.323 1.00 0.00 H new ATOM 0 HE2 MET A 75 6.021 1.227 -1.379 1.00 0.00 H new ATOM 0 HE3 MET A 75 6.698 1.862 0.139 1.00 0.00 H new ATOM 1207 N ASP A 76 5.318 -5.774 0.397 1.00 0.00 N ATOM 1208 CA ASP A 76 4.867 -6.780 1.344 1.00 0.00 C ATOM 1209 C ASP A 76 6.061 -7.609 1.809 1.00 0.00 C ATOM 1210 O ASP A 76 6.799 -8.162 0.995 1.00 0.00 O ATOM 1211 CB ASP A 76 3.798 -7.674 0.723 1.00 0.00 C ATOM 1212 CG ASP A 76 3.241 -8.644 1.762 1.00 0.00 C ATOM 1213 OD1 ASP A 76 2.907 -8.170 2.874 1.00 0.00 O ATOM 1214 OD2 ASP A 76 3.151 -9.847 1.441 1.00 0.00 O ATOM 0 H ASP A 76 5.016 -5.915 -0.567 1.00 0.00 H new ATOM 0 HA ASP A 76 4.420 -6.282 2.204 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.992 -7.061 0.321 1.00 0.00 H new ATOM 0 HB3 ASP A 76 4.222 -8.231 -0.112 1.00 0.00 H new ATOM 1219 N GLY A 77 6.248 -7.696 3.126 1.00 0.00 N ATOM 1220 CA GLY A 77 7.326 -8.466 3.728 1.00 0.00 C ATOM 1221 C GLY A 77 8.644 -7.694 3.758 1.00 0.00 C ATOM 1222 O GLY A 77 9.652 -8.220 4.223 1.00 0.00 O ATOM 0 H GLY A 77 5.649 -7.229 3.807 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.047 -8.744 4.744 1.00 0.00 H new ATOM 0 HA3 GLY A 77 7.463 -9.393 3.170 1.00 0.00 H new ATOM 1226 N ALA A 78 8.642 -6.450 3.266 1.00 0.00 N ATOM 1227 CA ALA A 78 9.817 -5.593 3.274 1.00 0.00 C ATOM 1228 C ALA A 78 10.185 -5.202 4.710 1.00 0.00 C ATOM 1229 O ALA A 78 9.537 -5.620 5.671 1.00 0.00 O ATOM 1230 CB ALA A 78 9.543 -4.361 2.410 1.00 0.00 C ATOM 0 H ALA A 78 7.818 -6.014 2.851 1.00 0.00 H new ATOM 0 HA ALA A 78 10.669 -6.130 2.856 1.00 0.00 H new ATOM 0 HB1 ALA A 78 10.420 -3.713 2.411 1.00 0.00 H new ATOM 0 HB2 ALA A 78 9.324 -4.674 1.389 1.00 0.00 H new ATOM 0 HB3 ALA A 78 8.689 -3.816 2.813 1.00 0.00 H new ATOM 1236 N VAL A 79 11.237 -4.391 4.857 1.00 0.00 N ATOM 1237 CA VAL A 79 11.778 -4.024 6.157 1.00 0.00 C ATOM 1238 C VAL A 79 12.070 -2.535 6.225 1.00 0.00 C ATOM 1239 O VAL A 79 12.507 -1.922 5.248 1.00 0.00 O ATOM 1240 CB VAL A 79 13.054 -4.830 6.428 1.00 0.00 C ATOM 1241 CG1 VAL A 79 13.767 -4.356 7.698 1.00 0.00 C ATOM 1242 CG2 VAL A 79 12.711 -6.309 6.571 1.00 0.00 C ATOM 0 H VAL A 79 11.735 -3.972 4.071 1.00 0.00 H new ATOM 0 HA VAL A 79 11.036 -4.254 6.921 1.00 0.00 H new ATOM 0 HB VAL A 79 13.724 -4.677 5.582 1.00 0.00 H new ATOM 0 HG11 VAL A 79 14.666 -4.952 7.855 1.00 0.00 H new ATOM 0 HG12 VAL A 79 14.042 -3.307 7.591 1.00 0.00 H new ATOM 0 HG13 VAL A 79 13.101 -4.471 8.554 1.00 0.00 H new ATOM 0 HG21 VAL A 79 13.621 -6.877 6.763 1.00 0.00 H new ATOM 0 HG22 VAL A 79 12.018 -6.443 7.401 1.00 0.00 H new ATOM 0 HG23 VAL A 79 12.249 -6.666 5.651 1.00 0.00 H new ATOM 1252 N LEU A 80 11.826 -1.968 7.404 1.00 0.00 N ATOM 1253 CA LEU A 80 12.179 -0.607 7.753 1.00 0.00 C ATOM 1254 C LEU A 80 12.443 -0.596 9.256 1.00 0.00 C ATOM 1255 O LEU A 80 11.717 -1.238 10.008 1.00 0.00 O ATOM 1256 CB LEU A 80 11.016 0.327 7.390 1.00 0.00 C ATOM 1257 CG LEU A 80 11.295 1.790 7.763 1.00 0.00 C ATOM 1258 CD1 LEU A 80 12.499 2.336 7.006 1.00 0.00 C ATOM 1259 CD2 LEU A 80 10.075 2.640 7.407 1.00 0.00 C ATOM 0 H LEU A 80 11.361 -2.466 8.164 1.00 0.00 H new ATOM 0 HA LEU A 80 13.061 -0.262 7.213 1.00 0.00 H new ATOM 0 HB2 LEU A 80 10.821 0.260 6.320 1.00 0.00 H new ATOM 0 HB3 LEU A 80 10.113 -0.008 7.900 1.00 0.00 H new ATOM 0 HG LEU A 80 11.503 1.832 8.832 1.00 0.00 H new ATOM 0 HD11 LEU A 80 12.669 3.374 7.293 1.00 0.00 H new ATOM 0 HD12 LEU A 80 13.381 1.743 7.249 1.00 0.00 H new ATOM 0 HD13 LEU A 80 12.310 2.283 5.934 1.00 0.00 H new ATOM 0 HD21 LEU A 80 10.267 3.680 7.670 1.00 0.00 H new ATOM 0 HD22 LEU A 80 9.880 2.566 6.337 1.00 0.00 H new ATOM 0 HD23 LEU A 80 9.207 2.281 7.960 1.00 0.00 H new ATOM 1271 N ASP A 81 13.477 0.131 9.689 1.00 0.00 N ATOM 1272 CA ASP A 81 13.942 0.210 11.069 1.00 0.00 C ATOM 1273 C ASP A 81 14.249 -1.163 11.683 1.00 0.00 C ATOM 1274 O ASP A 81 14.648 -1.239 12.841 1.00 0.00 O ATOM 1275 CB ASP A 81 12.931 1.008 11.897 1.00 0.00 C ATOM 1276 CG ASP A 81 13.469 1.354 13.282 1.00 0.00 C ATOM 1277 OD1 ASP A 81 14.545 1.989 13.341 1.00 0.00 O ATOM 1278 OD2 ASP A 81 12.800 0.982 14.271 1.00 0.00 O ATOM 0 H ASP A 81 14.035 0.704 9.056 1.00 0.00 H new ATOM 0 HA ASP A 81 14.898 0.734 11.076 1.00 0.00 H new ATOM 0 HB2 ASP A 81 12.675 1.926 11.368 1.00 0.00 H new ATOM 0 HB3 ASP A 81 12.012 0.432 11.999 1.00 0.00 H new ATOM 1283 N GLY A 82 14.072 -2.249 10.922 1.00 0.00 N ATOM 1284 CA GLY A 82 14.379 -3.595 11.379 1.00 0.00 C ATOM 1285 C GLY A 82 13.114 -4.415 11.622 1.00 0.00 C ATOM 1286 O GLY A 82 13.207 -5.586 11.982 1.00 0.00 O ATOM 0 H GLY A 82 13.710 -2.211 9.969 1.00 0.00 H new ATOM 0 HA2 GLY A 82 15.001 -4.097 10.638 1.00 0.00 H new ATOM 0 HA3 GLY A 82 14.960 -3.542 12.300 1.00 0.00 H new ATOM 1290 N ARG A 83 11.935 -3.813 11.427 1.00 0.00 N ATOM 1291 CA ARG A 83 10.659 -4.501 11.585 1.00 0.00 C ATOM 1292 C ARG A 83 10.186 -5.027 10.237 1.00 0.00 C ATOM 1293 O ARG A 83 10.982 -5.209 9.319 1.00 0.00 O ATOM 1294 CB ARG A 83 9.618 -3.576 12.227 1.00 0.00 C ATOM 1295 CG ARG A 83 9.317 -2.347 11.365 1.00 0.00 C ATOM 1296 CD ARG A 83 7.947 -1.782 11.737 1.00 0.00 C ATOM 1297 NE ARG A 83 7.821 -1.549 13.181 1.00 0.00 N ATOM 1298 CZ ARG A 83 6.689 -1.726 13.866 1.00 0.00 C ATOM 1299 NH1 ARG A 83 5.570 -2.101 13.250 1.00 0.00 N ATOM 1300 NH2 ARG A 83 6.663 -1.533 15.181 1.00 0.00 N ATOM 0 H ARG A 83 11.844 -2.834 11.155 1.00 0.00 H new ATOM 0 HA ARG A 83 10.792 -5.351 12.255 1.00 0.00 H new ATOM 0 HB2 ARG A 83 8.696 -4.133 12.395 1.00 0.00 H new ATOM 0 HB3 ARG A 83 9.977 -3.252 13.204 1.00 0.00 H new ATOM 0 HG2 ARG A 83 10.086 -1.589 11.513 1.00 0.00 H new ATOM 0 HG3 ARG A 83 9.335 -2.618 10.309 1.00 0.00 H new ATOM 0 HD2 ARG A 83 7.784 -0.846 11.203 1.00 0.00 H new ATOM 0 HD3 ARG A 83 7.169 -2.473 11.412 1.00 0.00 H new ATOM 0 HE ARG A 83 8.646 -1.234 13.690 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.570 -2.257 12.242 1.00 0.00 H new ATOM 0 HH12 ARG A 83 4.712 -2.233 13.786 1.00 0.00 H new ATOM 0 HH21 ARG A 83 7.511 -1.248 15.672 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.795 -1.670 15.699 1.00 0.00 H new ATOM 1314 N GLU A 84 8.885 -5.270 10.128 1.00 0.00 N ATOM 1315 CA GLU A 84 8.268 -5.792 8.920 1.00 0.00 C ATOM 1316 C GLU A 84 7.347 -4.731 8.334 1.00 0.00 C ATOM 1317 O GLU A 84 7.030 -3.746 9.000 1.00 0.00 O ATOM 1318 CB GLU A 84 7.460 -7.048 9.256 1.00 0.00 C ATOM 1319 CG GLU A 84 8.377 -8.223 9.579 1.00 0.00 C ATOM 1320 CD GLU A 84 7.568 -9.476 9.916 1.00 0.00 C ATOM 1321 OE1 GLU A 84 6.657 -9.814 9.126 1.00 0.00 O ATOM 1322 OE2 GLU A 84 7.867 -10.093 10.962 1.00 0.00 O ATOM 0 H GLU A 84 8.223 -5.107 10.887 1.00 0.00 H new ATOM 0 HA GLU A 84 9.040 -6.049 8.195 1.00 0.00 H new ATOM 0 HB2 GLU A 84 6.808 -6.848 10.106 1.00 0.00 H new ATOM 0 HB3 GLU A 84 6.817 -7.306 8.415 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.028 -8.425 8.728 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.021 -7.965 10.420 1.00 0.00 H new ATOM 1329 N LEU A 85 6.918 -4.939 7.089 1.00 0.00 N ATOM 1330 CA LEU A 85 5.980 -4.068 6.402 1.00 0.00 C ATOM 1331 C LEU A 85 4.956 -4.961 5.707 1.00 0.00 C ATOM 1332 O LEU A 85 5.267 -6.100 5.357 1.00 0.00 O ATOM 1333 CB LEU A 85 6.727 -3.190 5.395 1.00 0.00 C ATOM 1334 CG LEU A 85 7.754 -2.267 6.063 1.00 0.00 C ATOM 1335 CD1 LEU A 85 8.508 -1.506 4.977 1.00 0.00 C ATOM 1336 CD2 LEU A 85 7.084 -1.242 6.980 1.00 0.00 C ATOM 0 H LEU A 85 7.221 -5.733 6.525 1.00 0.00 H new ATOM 0 HA LEU A 85 5.475 -3.401 7.101 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.234 -3.827 4.670 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.008 -2.586 4.841 1.00 0.00 H new ATOM 0 HG LEU A 85 8.423 -2.886 6.661 1.00 0.00 H new ATOM 0 HD11 LEU A 85 9.242 -0.845 5.438 1.00 0.00 H new ATOM 0 HD12 LEU A 85 9.017 -2.214 4.323 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.804 -0.914 4.392 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.845 -0.607 7.434 1.00 0.00 H new ATOM 0 HD22 LEU A 85 6.398 -0.626 6.398 1.00 0.00 H new ATOM 0 HD23 LEU A 85 6.530 -1.761 7.763 1.00 0.00 H new ATOM 1348 N ARG A 86 3.734 -4.455 5.506 1.00 0.00 N ATOM 1349 CA ARG A 86 2.630 -5.280 5.035 1.00 0.00 C ATOM 1350 C ARG A 86 1.776 -4.532 4.025 1.00 0.00 C ATOM 1351 O ARG A 86 1.533 -3.337 4.168 1.00 0.00 O ATOM 1352 CB ARG A 86 1.781 -5.684 6.248 1.00 0.00 C ATOM 1353 CG ARG A 86 2.486 -6.755 7.089 1.00 0.00 C ATOM 1354 CD ARG A 86 2.612 -8.072 6.314 1.00 0.00 C ATOM 1355 NE ARG A 86 3.665 -8.924 6.884 1.00 0.00 N ATOM 1356 CZ ARG A 86 4.390 -9.782 6.165 1.00 0.00 C ATOM 1357 NH1 ARG A 86 4.175 -9.944 4.862 1.00 0.00 N ATOM 1358 NH2 ARG A 86 5.348 -10.497 6.752 1.00 0.00 N ATOM 0 H ARG A 86 3.491 -3.477 5.664 1.00 0.00 H new ATOM 0 HA ARG A 86 3.027 -6.164 4.536 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.583 -4.807 6.864 1.00 0.00 H new ATOM 0 HB3 ARG A 86 0.816 -6.061 5.910 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.477 -6.402 7.376 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.928 -6.924 8.010 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.660 -8.602 6.335 1.00 0.00 H new ATOM 0 HD3 ARG A 86 2.837 -7.862 5.268 1.00 0.00 H new ATOM 0 HE ARG A 86 3.852 -8.855 7.884 1.00 0.00 H new ATOM 0 HH11 ARG A 86 3.445 -9.407 4.395 1.00 0.00 H new ATOM 0 HH12 ARG A 86 4.741 -10.605 4.330 1.00 0.00 H new ATOM 0 HH21 ARG A 86 5.527 -10.388 7.750 1.00 0.00 H new ATOM 0 HH22 ARG A 86 5.903 -11.154 6.203 1.00 0.00 H new ATOM 1372 N VAL A 87 1.334 -5.269 3.005 1.00 0.00 N ATOM 1373 CA VAL A 87 0.512 -4.750 1.928 1.00 0.00 C ATOM 1374 C VAL A 87 -0.362 -5.876 1.382 1.00 0.00 C ATOM 1375 O VAL A 87 0.154 -6.914 0.972 1.00 0.00 O ATOM 1376 CB VAL A 87 1.408 -4.226 0.800 1.00 0.00 C ATOM 1377 CG1 VAL A 87 0.545 -3.617 -0.303 1.00 0.00 C ATOM 1378 CG2 VAL A 87 2.368 -3.151 1.308 1.00 0.00 C ATOM 0 H VAL A 87 1.545 -6.262 2.909 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.111 -3.939 2.306 1.00 0.00 H new ATOM 0 HB VAL A 87 1.985 -5.068 0.417 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.186 -3.246 -1.103 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -0.128 -4.377 -0.700 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -0.040 -2.793 0.106 1.00 0.00 H new ATOM 0 HG21 VAL A 87 2.990 -2.800 0.484 1.00 0.00 H new ATOM 0 HG22 VAL A 87 1.797 -2.316 1.714 1.00 0.00 H new ATOM 0 HG23 VAL A 87 3.003 -3.570 2.089 1.00 0.00 H new ATOM 1388 N GLN A 88 -1.682 -5.666 1.374 1.00 0.00 N ATOM 1389 CA GLN A 88 -2.637 -6.630 0.841 1.00 0.00 C ATOM 1390 C GLN A 88 -3.980 -5.948 0.597 1.00 0.00 C ATOM 1391 O GLN A 88 -4.206 -4.840 1.075 1.00 0.00 O ATOM 1392 CB GLN A 88 -2.805 -7.808 1.808 1.00 0.00 C ATOM 1393 CG GLN A 88 -3.354 -7.402 3.179 1.00 0.00 C ATOM 1394 CD GLN A 88 -2.319 -6.673 4.029 1.00 0.00 C ATOM 1395 OE1 GLN A 88 -1.194 -7.135 4.188 1.00 0.00 O ATOM 1396 NE2 GLN A 88 -2.692 -5.522 4.581 1.00 0.00 N ATOM 0 H GLN A 88 -2.115 -4.818 1.739 1.00 0.00 H new ATOM 0 HA GLN A 88 -2.258 -7.015 -0.106 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -3.475 -8.542 1.360 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -1.840 -8.297 1.943 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -4.225 -6.761 3.043 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -3.693 -8.292 3.709 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -3.635 -5.166 4.429 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -2.035 -4.996 5.156 1.00 0.00 H new ATOM 1405 N MET A 89 -4.874 -6.603 -0.145 1.00 0.00 N ATOM 1406 CA MET A 89 -6.177 -6.042 -0.480 1.00 0.00 C ATOM 1407 C MET A 89 -7.017 -5.833 0.782 1.00 0.00 C ATOM 1408 O MET A 89 -6.924 -6.606 1.737 1.00 0.00 O ATOM 1409 CB MET A 89 -6.880 -6.947 -1.491 1.00 0.00 C ATOM 1410 CG MET A 89 -6.207 -6.834 -2.865 1.00 0.00 C ATOM 1411 SD MET A 89 -4.500 -7.445 -2.951 1.00 0.00 S ATOM 1412 CE MET A 89 -4.022 -6.787 -4.569 1.00 0.00 C ATOM 0 H MET A 89 -4.713 -7.534 -0.528 1.00 0.00 H new ATOM 0 HA MET A 89 -6.043 -5.062 -0.938 1.00 0.00 H new ATOM 0 HB2 MET A 89 -6.849 -7.981 -1.147 1.00 0.00 H new ATOM 0 HB3 MET A 89 -7.931 -6.669 -1.569 1.00 0.00 H new ATOM 0 HG2 MET A 89 -6.808 -7.382 -3.591 1.00 0.00 H new ATOM 0 HG3 MET A 89 -6.216 -5.787 -3.170 1.00 0.00 H new ATOM 0 HE1 MET A 89 -2.938 -6.832 -4.674 1.00 0.00 H new ATOM 0 HE2 MET A 89 -4.488 -7.381 -5.355 1.00 0.00 H new ATOM 0 HE3 MET A 89 -4.352 -5.752 -4.653 1.00 0.00 H new ATOM 1422 N ALA A 90 -7.837 -4.778 0.778 1.00 0.00 N ATOM 1423 CA ALA A 90 -8.639 -4.380 1.921 1.00 0.00 C ATOM 1424 C ALA A 90 -9.795 -5.343 2.195 1.00 0.00 C ATOM 1425 O ALA A 90 -10.009 -6.310 1.467 1.00 0.00 O ATOM 1426 CB ALA A 90 -9.174 -2.967 1.692 1.00 0.00 C ATOM 0 H ALA A 90 -7.959 -4.173 -0.034 1.00 0.00 H new ATOM 0 HA ALA A 90 -7.996 -4.404 2.801 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -9.777 -2.663 2.548 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.339 -2.277 1.573 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.788 -2.952 0.792 1.00 0.00 H new ATOM 1432 N ARG A 91 -10.542 -5.059 3.268 1.00 0.00 N ATOM 1433 CA ARG A 91 -11.693 -5.835 3.706 1.00 0.00 C ATOM 1434 C ARG A 91 -12.818 -4.900 4.139 1.00 0.00 C ATOM 1435 O ARG A 91 -12.644 -3.688 4.174 1.00 0.00 O ATOM 1436 CB ARG A 91 -11.292 -6.712 4.895 1.00 0.00 C ATOM 1437 CG ARG A 91 -10.170 -7.688 4.553 1.00 0.00 C ATOM 1438 CD ARG A 91 -9.749 -8.422 5.822 1.00 0.00 C ATOM 1439 NE ARG A 91 -8.650 -9.355 5.561 1.00 0.00 N ATOM 1440 CZ ARG A 91 -7.982 -10.013 6.517 1.00 0.00 C ATOM 1441 NH1 ARG A 91 -8.298 -9.863 7.798 1.00 0.00 N ATOM 1442 NH2 ARG A 91 -6.988 -10.829 6.178 1.00 0.00 N ATOM 0 H ARG A 91 -10.351 -4.257 3.869 1.00 0.00 H new ATOM 0 HA ARG A 91 -12.036 -6.458 2.880 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -10.975 -6.075 5.721 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -12.162 -7.271 5.239 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -10.507 -8.400 3.800 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -9.321 -7.152 4.128 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -9.442 -7.699 6.578 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -10.601 -8.966 6.229 1.00 0.00 H new ATOM 0 HE ARG A 91 -8.377 -9.513 4.591 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -9.059 -9.239 8.066 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -7.779 -10.371 8.514 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -6.740 -10.950 5.196 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -6.474 -11.334 6.900 1.00 0.00 H new ATOM 1456 N TYR A 92 -13.976 -5.482 4.475 1.00 0.00 N ATOM 1457 CA TYR A 92 -15.147 -4.749 4.942 1.00 0.00 C ATOM 1458 C TYR A 92 -15.505 -3.568 4.034 1.00 0.00 C ATOM 1459 O TYR A 92 -15.107 -3.524 2.869 1.00 0.00 O ATOM 1460 CB TYR A 92 -14.906 -4.313 6.392 1.00 0.00 C ATOM 1461 CG TYR A 92 -14.475 -5.441 7.302 1.00 0.00 C ATOM 1462 CD1 TYR A 92 -15.404 -6.422 7.691 1.00 0.00 C ATOM 1463 CD2 TYR A 92 -13.147 -5.511 7.756 1.00 0.00 C ATOM 1464 CE1 TYR A 92 -15.006 -7.472 8.532 1.00 0.00 C ATOM 1465 CE2 TYR A 92 -12.744 -6.558 8.596 1.00 0.00 C ATOM 1466 CZ TYR A 92 -13.672 -7.545 8.985 1.00 0.00 C ATOM 1467 OH TYR A 92 -13.283 -8.562 9.800 1.00 0.00 O ATOM 0 H TYR A 92 -14.122 -6.490 4.427 1.00 0.00 H new ATOM 0 HA TYR A 92 -16.014 -5.408 4.903 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -14.143 -3.535 6.406 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -15.821 -3.870 6.786 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -16.425 -6.367 7.342 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -12.435 -4.756 7.457 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -15.721 -8.224 8.832 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -11.723 -6.609 8.945 1.00 0.00 H new ATOM 0 HH TYR A 92 -12.333 -8.462 10.017 1.00 0.00 H new ATOM 1477 N GLY A 93 -16.267 -2.610 4.565 1.00 0.00 N ATOM 1478 CA GLY A 93 -16.684 -1.415 3.841 1.00 0.00 C ATOM 1479 C GLY A 93 -16.571 -0.163 4.707 1.00 0.00 C ATOM 1480 O GLY A 93 -17.154 0.861 4.357 1.00 0.00 O ATOM 0 H GLY A 93 -16.615 -2.646 5.523 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -16.069 -1.297 2.949 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -17.714 -1.534 3.505 1.00 0.00 H new ATOM 1484 N ARG A 94 -15.823 -0.284 5.816 1.00 0.00 N ATOM 1485 CA ARG A 94 -15.472 0.693 6.849 1.00 0.00 C ATOM 1486 C ARG A 94 -15.995 0.207 8.205 1.00 0.00 C ATOM 1487 O ARG A 94 -16.946 -0.569 8.241 1.00 0.00 O ATOM 1488 CB ARG A 94 -15.950 2.107 6.519 1.00 0.00 C ATOM 1489 CG ARG A 94 -15.075 2.692 5.406 1.00 0.00 C ATOM 1490 CD ARG A 94 -15.537 4.097 5.027 1.00 0.00 C ATOM 1491 NE ARG A 94 -15.352 5.030 6.140 1.00 0.00 N ATOM 1492 CZ ARG A 94 -15.821 6.278 6.179 1.00 0.00 C ATOM 1493 NH1 ARG A 94 -16.529 6.781 5.168 1.00 0.00 N ATOM 1494 NH2 ARG A 94 -15.576 7.033 7.249 1.00 0.00 N ATOM 0 H ARG A 94 -15.399 -1.186 6.032 1.00 0.00 H new ATOM 0 HA ARG A 94 -14.385 0.765 6.893 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -16.993 2.086 6.204 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -15.898 2.737 7.407 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -14.036 2.723 5.734 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -15.113 2.044 4.530 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -14.977 4.446 4.159 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -16.588 4.073 4.740 1.00 0.00 H new ATOM 0 HE ARG A 94 -14.824 4.700 6.948 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -16.721 6.209 4.345 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -16.879 7.738 5.217 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -15.035 6.655 8.027 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -15.929 7.989 7.290 1.00 0.00 H new ATOM 1508 N PRO A 95 -15.383 0.655 9.312 1.00 0.00 N ATOM 1509 CA PRO A 95 -15.728 0.252 10.665 1.00 0.00 C ATOM 1510 C PRO A 95 -17.235 0.240 10.921 1.00 0.00 C ATOM 1511 O PRO A 95 -17.921 1.203 10.578 1.00 0.00 O ATOM 1512 CB PRO A 95 -15.019 1.257 11.574 1.00 0.00 C ATOM 1513 CG PRO A 95 -13.797 1.671 10.762 1.00 0.00 C ATOM 1514 CD PRO A 95 -14.269 1.582 9.318 1.00 0.00 C ATOM 0 HA PRO A 95 -15.412 -0.774 10.852 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -15.657 2.111 11.803 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -14.735 0.807 12.525 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -13.473 2.681 11.015 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -12.951 1.009 10.947 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -14.575 2.560 8.948 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -13.468 1.231 8.668 1.00 0.00 H new ATOM 1522 N PRO A 96 -17.758 -0.835 11.524 1.00 0.00 N ATOM 1523 CA PRO A 96 -19.178 -1.007 11.773 1.00 0.00 C ATOM 1524 C PRO A 96 -19.661 -0.267 13.023 1.00 0.00 C ATOM 1525 O PRO A 96 -20.857 -0.014 13.142 1.00 0.00 O ATOM 1526 CB PRO A 96 -19.343 -2.513 11.982 1.00 0.00 C ATOM 1527 CG PRO A 96 -18.033 -2.898 12.666 1.00 0.00 C ATOM 1528 CD PRO A 96 -17.009 -1.994 11.977 1.00 0.00 C ATOM 0 HA PRO A 96 -19.764 -0.603 10.947 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -20.208 -2.744 12.603 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -19.478 -3.041 11.038 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -18.071 -2.720 13.741 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -17.799 -3.953 12.526 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -16.215 -1.704 12.666 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -16.534 -2.506 11.140 1.00 0.00 H new ATOM 1536 N ASP A 97 -18.761 0.091 13.950 1.00 0.00 N ATOM 1537 CA ASP A 97 -19.197 0.701 15.201 1.00 0.00 C ATOM 1538 C ASP A 97 -18.098 1.497 15.909 1.00 0.00 C ATOM 1539 O ASP A 97 -18.257 1.896 17.065 1.00 0.00 O ATOM 1540 CB ASP A 97 -19.739 -0.406 16.112 1.00 0.00 C ATOM 1541 CG ASP A 97 -20.501 0.149 17.313 1.00 0.00 C ATOM 1542 OD1 ASP A 97 -21.490 0.880 17.083 1.00 0.00 O ATOM 1543 OD2 ASP A 97 -20.094 -0.161 18.456 1.00 0.00 O ATOM 0 H ASP A 97 -17.752 -0.030 13.856 1.00 0.00 H new ATOM 0 HA ASP A 97 -19.975 1.428 14.967 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -20.398 -1.056 15.536 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -18.911 -1.021 16.463 1.00 0.00 H new ATOM 1548 N SER A 98 -16.975 1.736 15.233 1.00 0.00 N ATOM 1549 CA SER A 98 -15.868 2.480 15.826 1.00 0.00 C ATOM 1550 C SER A 98 -16.190 3.968 15.937 1.00 0.00 C ATOM 1551 O SER A 98 -15.553 4.677 16.711 1.00 0.00 O ATOM 1552 CB SER A 98 -14.602 2.308 14.989 1.00 0.00 C ATOM 1553 OG SER A 98 -14.229 0.946 14.971 1.00 0.00 O ATOM 0 H SER A 98 -16.809 1.425 14.276 1.00 0.00 H new ATOM 0 HA SER A 98 -15.708 2.080 16.827 1.00 0.00 H new ATOM 0 HB2 SER A 98 -14.775 2.662 13.973 1.00 0.00 H new ATOM 0 HB3 SER A 98 -13.795 2.911 15.404 1.00 0.00 H new ATOM 0 HG SER A 98 -13.418 0.836 14.432 1.00 0.00 H new