USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 494 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 26 CYS SG : rot 90:sc= -1.9! USER MOD Set 1.2: A 28 CYS SG : rot -144:sc= -0.385 USER MOD Set 1.3: A 48 CYS SG : rot 150:sc= -0.375 USER MOD Set 1.4: A 51 CYS SG : rot -63:sc= -2.75 USER MOD Single : A 4 THR OG1 : rot -148:sc= 1.03 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl -174:sc= -0.657 (180deg=-0.875) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0169 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0.12) USER MOD Single : A 20 GLN : amide:sc= -0.818 X(o=-0.82,f=-1) USER MOD Single : A 21 MET CE :methyl -107:sc= -1.93 (180deg=-7.33!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.0147 X(o=-0.015,f=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 151:sc= -4.96! (180deg=-9.23!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -56:sc= 1.19 USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 47 N THR A 4 -14.394 10.977 3.879 1.00 0.00 N ATOM 48 CA THR A 4 -12.982 11.069 3.498 1.00 0.00 C ATOM 49 C THR A 4 -12.673 12.410 2.835 1.00 0.00 C ATOM 50 O THR A 4 -13.567 13.234 2.628 1.00 0.00 O ATOM 51 CB THR A 4 -12.602 9.923 2.552 1.00 0.00 C ATOM 52 OG1 THR A 4 -13.710 9.531 1.757 1.00 0.00 O ATOM 53 CG2 THR A 4 -12.091 8.699 3.280 1.00 0.00 C ATOM 0 HA THR A 4 -12.390 10.991 4.410 1.00 0.00 H new ATOM 0 HB THR A 4 -11.800 10.316 1.928 1.00 0.00 H new ATOM 0 HG1 THR A 4 -13.656 8.570 1.572 1.00 0.00 H new ATOM 0 HG21 THR A 4 -11.839 7.924 2.556 1.00 0.00 H new ATOM 0 HG22 THR A 4 -11.203 8.962 3.854 1.00 0.00 H new ATOM 0 HG23 THR A 4 -12.863 8.328 3.955 1.00 0.00 H new ATOM 61 N TYR A 5 -11.398 12.623 2.507 1.00 0.00 N ATOM 62 CA TYR A 5 -10.963 13.864 1.869 1.00 0.00 C ATOM 63 C TYR A 5 -10.818 13.695 0.354 1.00 0.00 C ATOM 64 O TYR A 5 -11.108 14.621 -0.407 1.00 0.00 O ATOM 65 CB TYR A 5 -9.639 14.335 2.476 1.00 0.00 C ATOM 66 CG TYR A 5 -9.778 14.861 3.888 1.00 0.00 C ATOM 67 CD1 TYR A 5 -9.894 13.992 4.966 1.00 0.00 C ATOM 68 CD2 TYR A 5 -9.799 16.228 4.142 1.00 0.00 C ATOM 69 CE1 TYR A 5 -10.026 14.469 6.256 1.00 0.00 C ATOM 70 CE2 TYR A 5 -9.931 16.712 5.429 1.00 0.00 C ATOM 71 CZ TYR A 5 -10.044 15.829 6.482 1.00 0.00 C ATOM 72 OH TYR A 5 -10.178 16.308 7.764 1.00 0.00 O ATOM 0 H TYR A 5 -10.649 11.951 2.673 1.00 0.00 H new ATOM 0 HA TYR A 5 -11.729 14.618 2.050 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -8.931 13.506 2.473 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -9.216 15.117 1.845 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -9.881 12.926 4.793 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -9.711 16.923 3.320 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -10.115 13.780 7.083 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -9.946 17.777 5.610 1.00 0.00 H new ATOM 0 HH TYR A 5 -10.171 17.288 7.749 1.00 0.00 H new ATOM 82 N ASP A 6 -10.368 12.513 -0.077 1.00 0.00 N ATOM 83 CA ASP A 6 -10.185 12.230 -1.503 1.00 0.00 C ATOM 84 C ASP A 6 -10.175 10.722 -1.775 1.00 0.00 C ATOM 85 O ASP A 6 -10.193 9.912 -0.843 1.00 0.00 O ATOM 86 CB ASP A 6 -8.881 12.863 -2.005 1.00 0.00 C ATOM 87 CG ASP A 6 -8.982 13.355 -3.439 1.00 0.00 C ATOM 88 OD1 ASP A 6 -9.840 14.222 -3.714 1.00 0.00 O ATOM 89 OD2 ASP A 6 -8.201 12.874 -4.286 1.00 0.00 O ATOM 0 H ASP A 6 -10.124 11.738 0.540 1.00 0.00 H new ATOM 0 HA ASP A 6 -11.027 12.665 -2.042 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -8.614 13.698 -1.357 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -8.076 12.132 -1.932 1.00 0.00 H new ATOM 94 N GLU A 7 -10.148 10.355 -3.062 1.00 0.00 N ATOM 95 CA GLU A 7 -10.138 8.951 -3.472 1.00 0.00 C ATOM 96 C GLU A 7 -9.167 8.729 -4.635 1.00 0.00 C ATOM 97 O GLU A 7 -9.289 9.363 -5.686 1.00 0.00 O ATOM 98 CB GLU A 7 -11.551 8.511 -3.872 1.00 0.00 C ATOM 99 CG GLU A 7 -11.657 7.040 -4.247 1.00 0.00 C ATOM 100 CD GLU A 7 -11.682 6.817 -5.748 1.00 0.00 C ATOM 101 OE1 GLU A 7 -12.685 7.197 -6.389 1.00 0.00 O ATOM 102 OE2 GLU A 7 -10.699 6.262 -6.282 1.00 0.00 O ATOM 0 H GLU A 7 -10.133 11.016 -3.838 1.00 0.00 H new ATOM 0 HA GLU A 7 -9.802 8.349 -2.628 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -12.232 8.715 -3.046 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -11.884 9.116 -4.716 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -10.814 6.498 -3.818 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -12.562 6.622 -3.807 1.00 0.00 H new ATOM 109 N ILE A 8 -8.202 7.827 -4.433 1.00 0.00 N ATOM 110 CA ILE A 8 -7.198 7.514 -5.454 1.00 0.00 C ATOM 111 C ILE A 8 -7.149 6.008 -5.737 1.00 0.00 C ATOM 112 O ILE A 8 -7.464 5.195 -4.868 1.00 0.00 O ATOM 113 CB ILE A 8 -5.787 7.994 -5.024 1.00 0.00 C ATOM 114 CG1 ILE A 8 -5.826 9.455 -4.558 1.00 0.00 C ATOM 115 CG2 ILE A 8 -4.787 7.831 -6.164 1.00 0.00 C ATOM 116 CD1 ILE A 8 -4.935 9.737 -3.366 1.00 0.00 C ATOM 0 H ILE A 8 -8.095 7.298 -3.567 1.00 0.00 H new ATOM 0 HA ILE A 8 -7.493 8.042 -6.361 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.463 7.373 -4.189 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.527 10.099 -5.385 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.853 9.719 -4.304 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.805 8.174 -5.838 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.728 6.781 -6.449 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -5.112 8.422 -7.020 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.014 10.789 -3.093 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.247 9.119 -2.524 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -3.901 9.505 -3.622 1.00 0.00 H new ATOM 128 N GLU A 9 -6.748 5.649 -6.960 1.00 0.00 N ATOM 129 CA GLU A 9 -6.654 4.244 -7.368 1.00 0.00 C ATOM 130 C GLU A 9 -5.226 3.711 -7.230 1.00 0.00 C ATOM 131 O GLU A 9 -4.258 4.469 -7.315 1.00 0.00 O ATOM 132 CB GLU A 9 -7.130 4.076 -8.815 1.00 0.00 C ATOM 133 CG GLU A 9 -6.276 4.812 -9.840 1.00 0.00 C ATOM 134 CD GLU A 9 -7.102 5.409 -10.958 1.00 0.00 C ATOM 135 OE1 GLU A 9 -7.699 6.484 -10.745 1.00 0.00 O ATOM 136 OE2 GLU A 9 -7.156 4.800 -12.047 1.00 0.00 O ATOM 0 H GLU A 9 -6.483 6.314 -7.687 1.00 0.00 H new ATOM 0 HA GLU A 9 -7.298 3.667 -6.704 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -7.141 3.014 -9.062 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.158 4.431 -8.892 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.718 5.604 -9.342 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -5.544 4.123 -10.261 1.00 0.00 H new ATOM 143 N ILE A 10 -5.110 2.395 -7.028 1.00 0.00 N ATOM 144 CA ILE A 10 -3.807 1.740 -6.886 1.00 0.00 C ATOM 145 C ILE A 10 -2.973 1.873 -8.165 1.00 0.00 C ATOM 146 O ILE A 10 -1.748 1.997 -8.102 1.00 0.00 O ATOM 147 CB ILE A 10 -3.961 0.241 -6.519 1.00 0.00 C ATOM 148 CG1 ILE A 10 -2.596 -0.382 -6.199 1.00 0.00 C ATOM 149 CG2 ILE A 10 -4.648 -0.528 -7.643 1.00 0.00 C ATOM 150 CD1 ILE A 10 -2.290 -0.454 -4.717 1.00 0.00 C ATOM 0 H ILE A 10 -5.906 1.761 -6.959 1.00 0.00 H new ATOM 0 HA ILE A 10 -3.287 2.246 -6.073 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.587 0.176 -5.629 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.559 -1.388 -6.618 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.817 0.198 -6.694 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.744 -1.576 -7.361 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -5.638 -0.108 -7.819 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.054 -0.450 -8.553 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -1.309 -0.906 -4.570 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.294 0.551 -4.295 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -3.047 -1.059 -4.218 1.00 0.00 H new ATOM 162 N GLU A 11 -3.643 1.850 -9.322 1.00 0.00 N ATOM 163 CA GLU A 11 -2.962 1.975 -10.612 1.00 0.00 C ATOM 164 C GLU A 11 -2.180 3.292 -10.700 1.00 0.00 C ATOM 165 O GLU A 11 -1.123 3.353 -11.332 1.00 0.00 O ATOM 166 CB GLU A 11 -3.978 1.891 -11.759 1.00 0.00 C ATOM 167 CG GLU A 11 -4.650 0.530 -11.888 1.00 0.00 C ATOM 168 CD GLU A 11 -6.142 0.634 -12.147 1.00 0.00 C ATOM 169 OE1 GLU A 11 -6.524 1.089 -13.246 1.00 0.00 O ATOM 170 OE2 GLU A 11 -6.927 0.259 -11.251 1.00 0.00 O ATOM 0 H GLU A 11 -4.655 1.746 -9.390 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.254 1.151 -10.700 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.745 2.651 -11.609 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.474 2.127 -12.696 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.182 -0.026 -12.701 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.483 -0.041 -10.974 1.00 0.00 H new ATOM 177 N ASP A 12 -2.702 4.340 -10.055 1.00 0.00 N ATOM 178 CA ASP A 12 -2.053 5.651 -10.056 1.00 0.00 C ATOM 179 C ASP A 12 -1.214 5.860 -8.785 1.00 0.00 C ATOM 180 O ASP A 12 -1.135 6.971 -8.256 1.00 0.00 O ATOM 181 CB ASP A 12 -3.111 6.756 -10.185 1.00 0.00 C ATOM 182 CG ASP A 12 -3.665 6.882 -11.594 1.00 0.00 C ATOM 183 OD1 ASP A 12 -3.959 5.842 -12.215 1.00 0.00 O ATOM 184 OD2 ASP A 12 -3.811 8.027 -12.075 1.00 0.00 O ATOM 0 H ASP A 12 -3.573 4.304 -9.526 1.00 0.00 H new ATOM 0 HA ASP A 12 -1.378 5.698 -10.911 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -3.930 6.551 -9.495 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -2.673 7.708 -9.886 1.00 0.00 H new ATOM 189 N MET A 13 -0.583 4.784 -8.305 1.00 0.00 N ATOM 190 CA MET A 13 0.252 4.845 -7.105 1.00 0.00 C ATOM 191 C MET A 13 1.683 4.400 -7.413 1.00 0.00 C ATOM 192 O MET A 13 1.902 3.557 -8.286 1.00 0.00 O ATOM 193 CB MET A 13 -0.350 3.961 -6.006 1.00 0.00 C ATOM 194 CG MET A 13 -0.187 4.524 -4.604 1.00 0.00 C ATOM 195 SD MET A 13 -1.046 3.538 -3.361 1.00 0.00 S ATOM 196 CE MET A 13 -1.867 4.810 -2.402 1.00 0.00 C ATOM 0 H MET A 13 -0.636 3.859 -8.731 1.00 0.00 H new ATOM 0 HA MET A 13 0.284 5.878 -6.759 1.00 0.00 H new ATOM 0 HB2 MET A 13 -1.412 3.819 -6.209 1.00 0.00 H new ATOM 0 HB3 MET A 13 0.117 2.977 -6.048 1.00 0.00 H new ATOM 0 HG2 MET A 13 0.873 4.572 -4.356 1.00 0.00 H new ATOM 0 HG3 MET A 13 -0.567 5.545 -4.579 1.00 0.00 H new ATOM 0 HE1 MET A 13 -2.349 4.358 -1.535 1.00 0.00 H new ATOM 0 HE2 MET A 13 -1.134 5.544 -2.067 1.00 0.00 H new ATOM 0 HE3 MET A 13 -2.618 5.303 -3.019 1.00 0.00 H new ATOM 206 N THR A 14 2.655 4.969 -6.693 1.00 0.00 N ATOM 207 CA THR A 14 4.064 4.624 -6.896 1.00 0.00 C ATOM 208 C THR A 14 4.349 3.202 -6.423 1.00 0.00 C ATOM 209 O THR A 14 4.047 2.843 -5.283 1.00 0.00 O ATOM 210 CB THR A 14 4.993 5.604 -6.161 1.00 0.00 C ATOM 211 OG1 THR A 14 4.410 6.891 -6.061 1.00 0.00 O ATOM 212 CG2 THR A 14 6.343 5.764 -6.830 1.00 0.00 C ATOM 0 H THR A 14 2.492 5.667 -5.968 1.00 0.00 H new ATOM 0 HA THR A 14 4.261 4.692 -7.966 1.00 0.00 H new ATOM 0 HB THR A 14 5.138 5.166 -5.174 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.023 7.492 -5.588 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.950 6.469 -6.261 1.00 0.00 H new ATOM 0 HG22 THR A 14 6.847 4.798 -6.867 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.204 6.140 -7.844 1.00 0.00 H new ATOM 220 N PHE A 15 4.940 2.400 -7.306 1.00 0.00 N ATOM 221 CA PHE A 15 5.279 1.018 -6.986 1.00 0.00 C ATOM 222 C PHE A 15 6.722 0.920 -6.503 1.00 0.00 C ATOM 223 O PHE A 15 7.648 1.334 -7.204 1.00 0.00 O ATOM 224 CB PHE A 15 5.076 0.119 -8.214 1.00 0.00 C ATOM 225 CG PHE A 15 5.380 -1.339 -7.972 1.00 0.00 C ATOM 226 CD1 PHE A 15 4.976 -1.965 -6.802 1.00 0.00 C ATOM 227 CD2 PHE A 15 6.066 -2.085 -8.920 1.00 0.00 C ATOM 228 CE1 PHE A 15 5.249 -3.302 -6.583 1.00 0.00 C ATOM 229 CE2 PHE A 15 6.343 -3.423 -8.705 1.00 0.00 C ATOM 230 CZ PHE A 15 5.934 -4.032 -7.536 1.00 0.00 C ATOM 0 H PHE A 15 5.194 2.686 -8.251 1.00 0.00 H new ATOM 0 HA PHE A 15 4.618 0.680 -6.188 1.00 0.00 H new ATOM 0 HB2 PHE A 15 4.044 0.212 -8.551 1.00 0.00 H new ATOM 0 HB3 PHE A 15 5.710 0.481 -9.024 1.00 0.00 H new ATOM 0 HD1 PHE A 15 4.441 -1.400 -6.053 1.00 0.00 H new ATOM 0 HD2 PHE A 15 6.388 -1.615 -9.837 1.00 0.00 H new ATOM 0 HE1 PHE A 15 4.927 -3.776 -5.668 1.00 0.00 H new ATOM 0 HE2 PHE A 15 6.879 -3.991 -9.451 1.00 0.00 H new ATOM 0 HZ PHE A 15 6.149 -5.077 -7.366 1.00 0.00 H new ATOM 240 N GLU A 16 6.906 0.365 -5.307 1.00 0.00 N ATOM 241 CA GLU A 16 8.237 0.203 -4.737 1.00 0.00 C ATOM 242 C GLU A 16 8.636 -1.272 -4.732 1.00 0.00 C ATOM 243 O GLU A 16 8.327 -2.004 -3.788 1.00 0.00 O ATOM 244 CB GLU A 16 8.282 0.776 -3.316 1.00 0.00 C ATOM 245 CG GLU A 16 9.475 1.684 -3.065 1.00 0.00 C ATOM 246 CD GLU A 16 9.410 2.970 -3.867 1.00 0.00 C ATOM 247 OE1 GLU A 16 8.838 3.959 -3.361 1.00 0.00 O ATOM 248 OE2 GLU A 16 9.930 2.988 -5.002 1.00 0.00 O ATOM 0 H GLU A 16 6.149 0.021 -4.716 1.00 0.00 H new ATOM 0 HA GLU A 16 8.949 0.752 -5.353 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.365 1.335 -3.129 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.305 -0.047 -2.602 1.00 0.00 H new ATOM 0 HG2 GLU A 16 9.526 1.925 -2.003 1.00 0.00 H new ATOM 0 HG3 GLU A 16 10.392 1.150 -3.315 1.00 0.00 H new ATOM 255 N PRO A 17 9.319 -1.734 -5.802 1.00 0.00 N ATOM 256 CA PRO A 17 9.751 -3.133 -5.927 1.00 0.00 C ATOM 257 C PRO A 17 10.931 -3.473 -5.008 1.00 0.00 C ATOM 258 O PRO A 17 12.008 -3.853 -5.475 1.00 0.00 O ATOM 259 CB PRO A 17 10.156 -3.242 -7.401 1.00 0.00 C ATOM 260 CG PRO A 17 10.575 -1.864 -7.780 1.00 0.00 C ATOM 261 CD PRO A 17 9.710 -0.929 -6.980 1.00 0.00 C ATOM 0 HA PRO A 17 8.967 -3.831 -5.633 1.00 0.00 H new ATOM 0 HB2 PRO A 17 10.969 -3.955 -7.537 1.00 0.00 H new ATOM 0 HB3 PRO A 17 9.325 -3.586 -8.016 1.00 0.00 H new ATOM 0 HG2 PRO A 17 11.630 -1.703 -7.559 1.00 0.00 H new ATOM 0 HG3 PRO A 17 10.444 -1.697 -8.849 1.00 0.00 H new ATOM 0 HD2 PRO A 17 10.254 -0.031 -6.688 1.00 0.00 H new ATOM 0 HD3 PRO A 17 8.839 -0.603 -7.549 1.00 0.00 H new ATOM 269 N GLU A 18 10.716 -3.338 -3.697 1.00 0.00 N ATOM 270 CA GLU A 18 11.753 -3.633 -2.707 1.00 0.00 C ATOM 271 C GLU A 18 11.204 -4.529 -1.591 1.00 0.00 C ATOM 272 O GLU A 18 11.839 -5.514 -1.208 1.00 0.00 O ATOM 273 CB GLU A 18 12.338 -2.332 -2.131 1.00 0.00 C ATOM 274 CG GLU A 18 11.338 -1.479 -1.353 1.00 0.00 C ATOM 275 CD GLU A 18 11.925 -0.164 -0.860 1.00 0.00 C ATOM 276 OE1 GLU A 18 13.166 -0.060 -0.750 1.00 0.00 O ATOM 277 OE2 GLU A 18 11.140 0.763 -0.575 1.00 0.00 O ATOM 0 H GLU A 18 9.831 -3.026 -3.297 1.00 0.00 H new ATOM 0 HA GLU A 18 12.557 -4.175 -3.206 1.00 0.00 H new ATOM 0 HB2 GLU A 18 13.171 -2.582 -1.474 1.00 0.00 H new ATOM 0 HB3 GLU A 18 12.744 -1.738 -2.949 1.00 0.00 H new ATOM 0 HG2 GLU A 18 10.478 -1.269 -1.989 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.972 -2.049 -0.499 1.00 0.00 H new ATOM 284 N ASN A 19 10.016 -4.188 -1.082 1.00 0.00 N ATOM 285 CA ASN A 19 9.375 -4.966 -0.022 1.00 0.00 C ATOM 286 C ASN A 19 7.858 -5.047 -0.238 1.00 0.00 C ATOM 287 O ASN A 19 7.087 -5.106 0.724 1.00 0.00 O ATOM 288 CB ASN A 19 9.683 -4.352 1.347 1.00 0.00 C ATOM 289 CG ASN A 19 9.972 -5.405 2.400 1.00 0.00 C ATOM 290 OD1 ASN A 19 9.093 -6.184 2.771 1.00 0.00 O ATOM 291 ND2 ASN A 19 11.207 -5.437 2.890 1.00 0.00 N ATOM 0 H ASN A 19 9.480 -3.377 -1.389 1.00 0.00 H new ATOM 0 HA ASN A 19 9.777 -5.979 -0.055 1.00 0.00 H new ATOM 0 HB2 ASN A 19 10.541 -3.685 1.259 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.838 -3.743 1.668 1.00 0.00 H new ATOM 0 HD21 ASN A 19 11.456 -6.125 3.601 1.00 0.00 H new ATOM 0 HD22 ASN A 19 11.906 -4.774 2.555 1.00 0.00 H new ATOM 298 N GLN A 20 7.437 -5.052 -1.510 1.00 0.00 N ATOM 299 CA GLN A 20 6.018 -5.127 -1.868 1.00 0.00 C ATOM 300 C GLN A 20 5.212 -4.010 -1.197 1.00 0.00 C ATOM 301 O GLN A 20 4.279 -4.272 -0.430 1.00 0.00 O ATOM 302 CB GLN A 20 5.444 -6.500 -1.494 1.00 0.00 C ATOM 303 CG GLN A 20 5.909 -7.623 -2.408 1.00 0.00 C ATOM 304 CD GLN A 20 5.373 -8.981 -1.993 1.00 0.00 C ATOM 305 OE1 GLN A 20 4.858 -9.148 -0.887 1.00 0.00 O ATOM 306 NE2 GLN A 20 5.494 -9.963 -2.879 1.00 0.00 N ATOM 0 H GLN A 20 8.066 -5.005 -2.312 1.00 0.00 H new ATOM 0 HA GLN A 20 5.939 -4.993 -2.947 1.00 0.00 H new ATOM 0 HB2 GLN A 20 5.728 -6.736 -0.468 1.00 0.00 H new ATOM 0 HB3 GLN A 20 4.356 -6.449 -1.520 1.00 0.00 H new ATOM 0 HG2 GLN A 20 5.592 -7.409 -3.429 1.00 0.00 H new ATOM 0 HG3 GLN A 20 6.999 -7.654 -2.413 1.00 0.00 H new ATOM 0 HE21 GLN A 20 5.927 -9.782 -3.785 1.00 0.00 H new ATOM 0 HE22 GLN A 20 5.154 -10.898 -2.654 1.00 0.00 H new ATOM 315 N MET A 21 5.577 -2.761 -1.494 1.00 0.00 N ATOM 316 CA MET A 21 4.889 -1.605 -0.923 1.00 0.00 C ATOM 317 C MET A 21 4.502 -0.599 -2.004 1.00 0.00 C ATOM 318 O MET A 21 5.192 -0.463 -3.019 1.00 0.00 O ATOM 319 CB MET A 21 5.760 -0.926 0.140 1.00 0.00 C ATOM 320 CG MET A 21 7.102 -0.425 -0.373 1.00 0.00 C ATOM 321 SD MET A 21 8.134 0.243 0.946 1.00 0.00 S ATOM 322 CE MET A 21 9.187 -1.162 1.295 1.00 0.00 C ATOM 0 H MET A 21 6.343 -2.526 -2.125 1.00 0.00 H new ATOM 0 HA MET A 21 3.975 -1.967 -0.451 1.00 0.00 H new ATOM 0 HB2 MET A 21 5.209 -0.085 0.561 1.00 0.00 H new ATOM 0 HB3 MET A 21 5.936 -1.631 0.953 1.00 0.00 H new ATOM 0 HG2 MET A 21 7.629 -1.243 -0.864 1.00 0.00 H new ATOM 0 HG3 MET A 21 6.936 0.345 -1.126 1.00 0.00 H new ATOM 0 HE1 MET A 21 8.895 -1.608 2.246 1.00 0.00 H new ATOM 0 HE2 MET A 21 9.083 -1.901 0.501 1.00 0.00 H new ATOM 0 HE3 MET A 21 10.225 -0.834 1.351 1.00 0.00 H new ATOM 332 N PHE A 22 3.391 0.103 -1.777 1.00 0.00 N ATOM 333 CA PHE A 22 2.902 1.100 -2.725 1.00 0.00 C ATOM 334 C PHE A 22 2.727 2.456 -2.047 1.00 0.00 C ATOM 335 O PHE A 22 1.760 2.678 -1.314 1.00 0.00 O ATOM 336 CB PHE A 22 1.578 0.639 -3.344 1.00 0.00 C ATOM 337 CG PHE A 22 1.733 -0.509 -4.301 1.00 0.00 C ATOM 338 CD1 PHE A 22 2.078 -1.771 -3.841 1.00 0.00 C ATOM 339 CD2 PHE A 22 1.540 -0.326 -5.660 1.00 0.00 C ATOM 340 CE1 PHE A 22 2.227 -2.827 -4.719 1.00 0.00 C ATOM 341 CE2 PHE A 22 1.686 -1.378 -6.542 1.00 0.00 C ATOM 342 CZ PHE A 22 2.031 -2.630 -6.071 1.00 0.00 C ATOM 0 H PHE A 22 2.813 -0.002 -0.943 1.00 0.00 H new ATOM 0 HA PHE A 22 3.642 1.209 -3.518 1.00 0.00 H new ATOM 0 HB2 PHE A 22 0.895 0.347 -2.546 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.118 1.478 -3.866 1.00 0.00 H new ATOM 0 HD1 PHE A 22 2.232 -1.930 -2.784 1.00 0.00 H new ATOM 0 HD2 PHE A 22 1.272 0.651 -6.034 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.496 -3.805 -4.348 1.00 0.00 H new ATOM 0 HE2 PHE A 22 1.531 -1.222 -7.599 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.147 -3.454 -6.760 1.00 0.00 H new ATOM 352 N THR A 23 3.676 3.355 -2.294 1.00 0.00 N ATOM 353 CA THR A 23 3.647 4.696 -1.713 1.00 0.00 C ATOM 354 C THR A 23 3.154 5.723 -2.737 1.00 0.00 C ATOM 355 O THR A 23 3.077 5.430 -3.930 1.00 0.00 O ATOM 356 CB THR A 23 5.044 5.078 -1.214 1.00 0.00 C ATOM 357 OG1 THR A 23 5.990 5.006 -2.268 1.00 0.00 O ATOM 358 CG2 THR A 23 5.541 4.193 -0.087 1.00 0.00 C ATOM 0 H THR A 23 4.480 3.178 -2.896 1.00 0.00 H new ATOM 0 HA THR A 23 2.954 4.693 -0.872 1.00 0.00 H new ATOM 0 HB THR A 23 4.949 6.097 -0.838 1.00 0.00 H new ATOM 0 HG1 THR A 23 6.876 5.255 -1.930 1.00 0.00 H new ATOM 0 HG21 THR A 23 6.535 4.518 0.219 1.00 0.00 H new ATOM 0 HG22 THR A 23 4.859 4.265 0.760 1.00 0.00 H new ATOM 0 HG23 THR A 23 5.586 3.159 -0.429 1.00 0.00 H new ATOM 366 N TYR A 24 2.823 6.927 -2.267 1.00 0.00 N ATOM 367 CA TYR A 24 2.344 7.989 -3.153 1.00 0.00 C ATOM 368 C TYR A 24 2.391 9.355 -2.463 1.00 0.00 C ATOM 369 O TYR A 24 2.064 9.472 -1.283 1.00 0.00 O ATOM 370 CB TYR A 24 0.919 7.686 -3.631 1.00 0.00 C ATOM 371 CG TYR A 24 0.380 8.707 -4.609 1.00 0.00 C ATOM 372 CD1 TYR A 24 -0.303 9.829 -4.159 1.00 0.00 C ATOM 373 CD2 TYR A 24 0.563 8.556 -5.979 1.00 0.00 C ATOM 374 CE1 TYR A 24 -0.791 10.770 -5.043 1.00 0.00 C ATOM 375 CE2 TYR A 24 0.080 9.495 -6.870 1.00 0.00 C ATOM 376 CZ TYR A 24 -0.597 10.600 -6.397 1.00 0.00 C ATOM 377 OH TYR A 24 -1.077 11.539 -7.280 1.00 0.00 O ATOM 0 H TYR A 24 2.877 7.190 -1.283 1.00 0.00 H new ATOM 0 HA TYR A 24 3.007 8.025 -4.017 1.00 0.00 H new ATOM 0 HB2 TYR A 24 0.903 6.702 -4.100 1.00 0.00 H new ATOM 0 HB3 TYR A 24 0.257 7.638 -2.766 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -0.455 9.968 -3.099 1.00 0.00 H new ATOM 0 HD2 TYR A 24 1.091 7.691 -6.353 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -1.322 11.635 -4.676 1.00 0.00 H new ATOM 0 HE2 TYR A 24 0.232 9.365 -7.931 1.00 0.00 H new ATOM 0 HH TYR A 24 -0.855 11.270 -8.196 1.00 0.00 H new ATOM 387 N PRO A 25 2.802 10.411 -3.200 1.00 0.00 N ATOM 388 CA PRO A 25 2.894 11.777 -2.661 1.00 0.00 C ATOM 389 C PRO A 25 1.598 12.253 -2.007 1.00 0.00 C ATOM 390 O PRO A 25 0.546 12.299 -2.649 1.00 0.00 O ATOM 391 CB PRO A 25 3.208 12.631 -3.894 1.00 0.00 C ATOM 392 CG PRO A 25 3.850 11.693 -4.855 1.00 0.00 C ATOM 393 CD PRO A 25 3.210 10.354 -4.618 1.00 0.00 C ATOM 0 HA PRO A 25 3.644 11.840 -1.872 1.00 0.00 H new ATOM 0 HB2 PRO A 25 2.302 13.068 -4.314 1.00 0.00 H new ATOM 0 HB3 PRO A 25 3.874 13.457 -3.644 1.00 0.00 H new ATOM 0 HG2 PRO A 25 3.697 12.022 -5.883 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.927 11.645 -4.693 1.00 0.00 H new ATOM 0 HD2 PRO A 25 2.355 10.196 -5.275 1.00 0.00 H new ATOM 0 HD3 PRO A 25 3.908 9.538 -4.802 1.00 0.00 H new ATOM 401 N CYS A 26 1.687 12.614 -0.729 1.00 0.00 N ATOM 402 CA CYS A 26 0.533 13.102 0.021 1.00 0.00 C ATOM 403 C CYS A 26 0.426 14.622 -0.091 1.00 0.00 C ATOM 404 O CYS A 26 1.438 15.323 -0.050 1.00 0.00 O ATOM 405 CB CYS A 26 0.646 12.703 1.495 1.00 0.00 C ATOM 406 SG CYS A 26 -0.793 13.176 2.510 1.00 0.00 S ATOM 0 H CYS A 26 2.552 12.577 -0.189 1.00 0.00 H new ATOM 0 HA CYS A 26 -0.364 12.650 -0.403 1.00 0.00 H new ATOM 0 HB2 CYS A 26 0.782 11.623 1.558 1.00 0.00 H new ATOM 0 HB3 CYS A 26 1.540 13.162 1.916 1.00 0.00 H new ATOM 0 HG CYS A 26 -1.668 12.215 2.496 1.00 0.00 H new ATOM 411 N PRO A 27 -0.807 15.152 -0.229 1.00 0.00 N ATOM 412 CA PRO A 27 -1.047 16.599 -0.337 1.00 0.00 C ATOM 413 C PRO A 27 -0.360 17.405 0.771 1.00 0.00 C ATOM 414 O PRO A 27 -0.023 18.574 0.572 1.00 0.00 O ATOM 415 CB PRO A 27 -2.567 16.713 -0.211 1.00 0.00 C ATOM 416 CG PRO A 27 -3.081 15.409 -0.710 1.00 0.00 C ATOM 417 CD PRO A 27 -2.066 14.383 -0.289 1.00 0.00 C ATOM 0 HA PRO A 27 -0.643 17.004 -1.265 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -2.868 16.889 0.822 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -2.953 17.544 -0.801 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -4.061 15.187 -0.287 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -3.197 15.423 -1.794 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.315 13.944 0.677 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -2.003 13.563 -1.005 1.00 0.00 H new ATOM 425 N CYS A 28 -0.155 16.777 1.936 1.00 0.00 N ATOM 426 CA CYS A 28 0.491 17.446 3.066 1.00 0.00 C ATOM 427 C CYS A 28 1.979 17.701 2.791 1.00 0.00 C ATOM 428 O CYS A 28 2.512 18.750 3.160 1.00 0.00 O ATOM 429 CB CYS A 28 0.321 16.621 4.349 1.00 0.00 C ATOM 430 SG CYS A 28 1.632 15.389 4.641 1.00 0.00 S ATOM 0 H CYS A 28 -0.427 15.811 2.118 1.00 0.00 H new ATOM 0 HA CYS A 28 0.004 18.412 3.201 1.00 0.00 H new ATOM 0 HB2 CYS A 28 0.284 17.301 5.200 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -0.640 16.107 4.310 1.00 0.00 H new ATOM 0 HG CYS A 28 1.118 14.331 5.195 1.00 0.00 H new ATOM 435 N GLY A 29 2.643 16.738 2.145 1.00 0.00 N ATOM 436 CA GLY A 29 4.059 16.884 1.838 1.00 0.00 C ATOM 437 C GLY A 29 4.787 15.552 1.749 1.00 0.00 C ATOM 438 O GLY A 29 5.525 15.307 0.793 1.00 0.00 O ATOM 0 H GLY A 29 2.225 15.862 1.830 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.167 17.415 0.892 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.530 17.499 2.605 1.00 0.00 H new ATOM 442 N ASP A 30 4.581 14.692 2.748 1.00 0.00 N ATOM 443 CA ASP A 30 5.221 13.375 2.784 1.00 0.00 C ATOM 444 C ASP A 30 4.574 12.423 1.772 1.00 0.00 C ATOM 445 O ASP A 30 3.704 12.825 0.999 1.00 0.00 O ATOM 446 CB ASP A 30 5.130 12.790 4.203 1.00 0.00 C ATOM 447 CG ASP A 30 6.365 13.073 5.044 1.00 0.00 C ATOM 448 OD1 ASP A 30 6.979 14.148 4.869 1.00 0.00 O ATOM 449 OD2 ASP A 30 6.715 12.217 5.884 1.00 0.00 O ATOM 0 H ASP A 30 3.974 14.884 3.545 1.00 0.00 H new ATOM 0 HA ASP A 30 6.270 13.492 2.512 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.254 13.202 4.704 1.00 0.00 H new ATOM 0 HB3 ASP A 30 4.982 11.712 4.137 1.00 0.00 H new ATOM 454 N ARG A 31 5.002 11.159 1.778 1.00 0.00 N ATOM 455 CA ARG A 31 4.458 10.160 0.860 1.00 0.00 C ATOM 456 C ARG A 31 3.792 9.020 1.630 1.00 0.00 C ATOM 457 O ARG A 31 4.349 8.509 2.603 1.00 0.00 O ATOM 458 CB ARG A 31 5.565 9.607 -0.045 1.00 0.00 C ATOM 459 CG ARG A 31 5.726 10.372 -1.352 1.00 0.00 C ATOM 460 CD ARG A 31 7.009 9.988 -2.078 1.00 0.00 C ATOM 461 NE ARG A 31 6.839 9.985 -3.534 1.00 0.00 N ATOM 462 CZ ARG A 31 7.850 9.950 -4.409 1.00 0.00 C ATOM 463 NH1 ARG A 31 9.110 9.899 -3.987 1.00 0.00 N ATOM 464 NH2 ARG A 31 7.595 9.963 -5.714 1.00 0.00 N ATOM 0 H ARG A 31 5.722 10.805 2.407 1.00 0.00 H new ATOM 0 HA ARG A 31 3.704 10.645 0.240 1.00 0.00 H new ATOM 0 HB2 ARG A 31 6.510 9.629 0.497 1.00 0.00 H new ATOM 0 HB3 ARG A 31 5.350 8.562 -0.270 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.870 10.174 -1.997 1.00 0.00 H new ATOM 0 HG3 ARG A 31 5.730 11.443 -1.148 1.00 0.00 H new ATOM 0 HD2 ARG A 31 7.801 10.686 -1.807 1.00 0.00 H new ATOM 0 HD3 ARG A 31 7.329 9.000 -1.749 1.00 0.00 H new ATOM 0 HE ARG A 31 5.889 10.011 -3.904 1.00 0.00 H new ATOM 0 HH11 ARG A 31 9.313 9.886 -2.987 1.00 0.00 H new ATOM 0 HH12 ARG A 31 9.874 9.873 -4.663 1.00 0.00 H new ATOM 0 HH21 ARG A 31 6.631 10.000 -6.045 1.00 0.00 H new ATOM 0 HH22 ARG A 31 8.364 9.936 -6.384 1.00 0.00 H new ATOM 478 N PHE A 32 2.598 8.625 1.180 1.00 0.00 N ATOM 479 CA PHE A 32 1.848 7.539 1.815 1.00 0.00 C ATOM 480 C PHE A 32 2.623 6.223 1.733 1.00 0.00 C ATOM 481 O PHE A 32 3.608 6.122 1.002 1.00 0.00 O ATOM 482 CB PHE A 32 0.481 7.373 1.141 1.00 0.00 C ATOM 483 CG PHE A 32 -0.623 8.168 1.787 1.00 0.00 C ATOM 484 CD1 PHE A 32 -1.013 7.910 3.092 1.00 0.00 C ATOM 485 CD2 PHE A 32 -1.275 9.168 1.083 1.00 0.00 C ATOM 486 CE1 PHE A 32 -2.031 8.635 3.682 1.00 0.00 C ATOM 487 CE2 PHE A 32 -2.295 9.895 1.668 1.00 0.00 C ATOM 488 CZ PHE A 32 -2.673 9.628 2.969 1.00 0.00 C ATOM 0 H PHE A 32 2.129 9.043 0.376 1.00 0.00 H new ATOM 0 HA PHE A 32 1.704 7.796 2.864 1.00 0.00 H new ATOM 0 HB2 PHE A 32 0.565 7.670 0.096 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.208 6.318 1.151 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.516 7.133 3.654 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.983 9.382 0.065 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -2.324 8.425 4.700 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.796 10.671 1.108 1.00 0.00 H new ATOM 0 HZ PHE A 32 -3.469 10.195 3.428 1.00 0.00 H new ATOM 498 N GLN A 33 2.172 5.216 2.482 1.00 0.00 N ATOM 499 CA GLN A 33 2.830 3.909 2.484 1.00 0.00 C ATOM 500 C GLN A 33 1.861 2.801 2.895 1.00 0.00 C ATOM 501 O GLN A 33 1.288 2.839 3.985 1.00 0.00 O ATOM 502 CB GLN A 33 4.036 3.925 3.428 1.00 0.00 C ATOM 503 CG GLN A 33 4.973 2.739 3.247 1.00 0.00 C ATOM 504 CD GLN A 33 5.858 2.503 4.457 1.00 0.00 C ATOM 505 OE1 GLN A 33 7.072 2.698 4.400 1.00 0.00 O ATOM 506 NE2 GLN A 33 5.255 2.078 5.564 1.00 0.00 N ATOM 0 H GLN A 33 1.357 5.280 3.093 1.00 0.00 H new ATOM 0 HA GLN A 33 3.170 3.704 1.469 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.597 4.846 3.271 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.679 3.941 4.458 1.00 0.00 H new ATOM 0 HG2 GLN A 33 4.384 1.843 3.052 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.599 2.906 2.371 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.246 1.929 5.570 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.802 1.902 6.407 1.00 0.00 H new ATOM 515 N ILE A 34 1.688 1.812 2.016 1.00 0.00 N ATOM 516 CA ILE A 34 0.795 0.687 2.288 1.00 0.00 C ATOM 517 C ILE A 34 1.332 -0.605 1.667 1.00 0.00 C ATOM 518 O ILE A 34 1.834 -0.603 0.540 1.00 0.00 O ATOM 519 CB ILE A 34 -0.638 0.961 1.770 1.00 0.00 C ATOM 520 CG1 ILE A 34 -1.585 -0.176 2.171 1.00 0.00 C ATOM 521 CG2 ILE A 34 -0.643 1.157 0.260 1.00 0.00 C ATOM 522 CD1 ILE A 34 -3.013 0.275 2.388 1.00 0.00 C ATOM 0 H ILE A 34 2.155 1.768 1.110 1.00 0.00 H new ATOM 0 HA ILE A 34 0.753 0.567 3.371 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.993 1.882 2.231 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.568 -0.942 1.396 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.216 -0.640 3.086 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.661 1.348 -0.079 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -0.009 2.005 0.001 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.262 0.258 -0.225 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.626 -0.581 2.669 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.043 1.019 3.184 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.400 0.712 1.468 1.00 0.00 H new ATOM 534 N TYR A 35 1.223 -1.705 2.413 1.00 0.00 N ATOM 535 CA TYR A 35 1.695 -3.006 1.942 1.00 0.00 C ATOM 536 C TYR A 35 0.556 -3.808 1.319 1.00 0.00 C ATOM 537 O TYR A 35 -0.616 -3.594 1.642 1.00 0.00 O ATOM 538 CB TYR A 35 2.316 -3.802 3.097 1.00 0.00 C ATOM 539 CG TYR A 35 3.522 -3.136 3.728 1.00 0.00 C ATOM 540 CD1 TYR A 35 4.533 -2.591 2.944 1.00 0.00 C ATOM 541 CD2 TYR A 35 3.650 -3.056 5.110 1.00 0.00 C ATOM 542 CE1 TYR A 35 5.634 -1.986 3.519 1.00 0.00 C ATOM 543 CE2 TYR A 35 4.748 -2.453 5.691 1.00 0.00 C ATOM 544 CZ TYR A 35 5.737 -1.919 4.892 1.00 0.00 C ATOM 545 OH TYR A 35 6.832 -1.318 5.469 1.00 0.00 O ATOM 0 H TYR A 35 0.812 -1.720 3.346 1.00 0.00 H new ATOM 0 HA TYR A 35 2.454 -2.829 1.180 1.00 0.00 H new ATOM 0 HB2 TYR A 35 1.558 -3.960 3.864 1.00 0.00 H new ATOM 0 HB3 TYR A 35 2.608 -4.786 2.730 1.00 0.00 H new ATOM 0 HD1 TYR A 35 4.456 -2.641 1.868 1.00 0.00 H new ATOM 0 HD2 TYR A 35 2.878 -3.472 5.740 1.00 0.00 H new ATOM 0 HE1 TYR A 35 6.410 -1.568 2.896 1.00 0.00 H new ATOM 0 HE2 TYR A 35 4.832 -2.400 6.766 1.00 0.00 H new ATOM 0 HH TYR A 35 6.749 -1.354 6.445 1.00 0.00 H new ATOM 555 N LEU A 36 0.907 -4.739 0.429 1.00 0.00 N ATOM 556 CA LEU A 36 -0.087 -5.580 -0.236 1.00 0.00 C ATOM 557 C LEU A 36 -0.840 -6.445 0.777 1.00 0.00 C ATOM 558 O LEU A 36 -2.053 -6.622 0.667 1.00 0.00 O ATOM 559 CB LEU A 36 0.579 -6.463 -1.298 1.00 0.00 C ATOM 560 CG LEU A 36 1.159 -5.705 -2.497 1.00 0.00 C ATOM 561 CD1 LEU A 36 2.023 -6.623 -3.350 1.00 0.00 C ATOM 562 CD2 LEU A 36 0.041 -5.090 -3.330 1.00 0.00 C ATOM 0 H LEU A 36 1.871 -4.928 0.153 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.807 -4.925 -0.727 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.379 -7.033 -0.826 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.154 -7.183 -1.662 1.00 0.00 H new ATOM 0 HG LEU A 36 1.790 -4.900 -2.121 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.424 -6.064 -4.195 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.845 -7.011 -2.749 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.419 -7.453 -3.718 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.470 -4.555 -4.177 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.617 -5.879 -3.694 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.531 -4.395 -2.715 1.00 0.00 H new ATOM 574 N ASP A 37 -0.119 -6.970 1.770 1.00 0.00 N ATOM 575 CA ASP A 37 -0.732 -7.804 2.806 1.00 0.00 C ATOM 576 C ASP A 37 -1.701 -6.991 3.670 1.00 0.00 C ATOM 577 O ASP A 37 -2.727 -7.510 4.115 1.00 0.00 O ATOM 578 CB ASP A 37 0.342 -8.438 3.696 1.00 0.00 C ATOM 579 CG ASP A 37 0.009 -9.871 4.062 1.00 0.00 C ATOM 580 OD1 ASP A 37 -0.934 -10.077 4.854 1.00 0.00 O ATOM 581 OD2 ASP A 37 0.690 -10.787 3.556 1.00 0.00 O ATOM 0 H ASP A 37 0.886 -6.833 1.879 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.292 -8.593 2.303 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.302 -8.410 3.180 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.452 -7.848 4.606 1.00 0.00 H new ATOM 586 N ASP A 38 -1.368 -5.716 3.903 1.00 0.00 N ATOM 587 CA ASP A 38 -2.206 -4.828 4.713 1.00 0.00 C ATOM 588 C ASP A 38 -3.573 -4.635 4.059 1.00 0.00 C ATOM 589 O ASP A 38 -4.609 -4.933 4.657 1.00 0.00 O ATOM 590 CB ASP A 38 -1.525 -3.460 4.898 1.00 0.00 C ATOM 591 CG ASP A 38 -0.337 -3.490 5.851 1.00 0.00 C ATOM 592 OD1 ASP A 38 0.292 -4.559 6.001 1.00 0.00 O ATOM 593 OD2 ASP A 38 -0.029 -2.432 6.439 1.00 0.00 O ATOM 0 H ASP A 38 -0.522 -5.277 3.541 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.342 -5.292 5.690 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.191 -3.096 3.926 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -2.260 -2.746 5.270 1.00 0.00 H new ATOM 598 N MET A 39 -3.563 -4.139 2.820 1.00 0.00 N ATOM 599 CA MET A 39 -4.796 -3.906 2.069 1.00 0.00 C ATOM 600 C MET A 39 -5.548 -5.218 1.812 1.00 0.00 C ATOM 601 O MET A 39 -6.781 -5.241 1.811 1.00 0.00 O ATOM 602 CB MET A 39 -4.488 -3.192 0.746 1.00 0.00 C ATOM 603 CG MET A 39 -3.599 -3.985 -0.202 1.00 0.00 C ATOM 604 SD MET A 39 -2.476 -2.933 -1.144 1.00 0.00 S ATOM 605 CE MET A 39 -3.640 -1.926 -2.059 1.00 0.00 C ATOM 0 H MET A 39 -2.712 -3.891 2.315 1.00 0.00 H new ATOM 0 HA MET A 39 -5.441 -3.266 2.671 1.00 0.00 H new ATOM 0 HB2 MET A 39 -5.427 -2.966 0.241 1.00 0.00 H new ATOM 0 HB3 MET A 39 -4.007 -2.239 0.965 1.00 0.00 H new ATOM 0 HG2 MET A 39 -3.019 -4.709 0.370 1.00 0.00 H new ATOM 0 HG3 MET A 39 -4.224 -4.552 -0.892 1.00 0.00 H new ATOM 0 HE1 MET A 39 -3.196 -0.952 -2.264 1.00 0.00 H new ATOM 0 HE2 MET A 39 -3.886 -2.418 -3.000 1.00 0.00 H new ATOM 0 HE3 MET A 39 -4.548 -1.794 -1.471 1.00 0.00 H new ATOM 615 N PHE A 40 -4.798 -6.307 1.607 1.00 0.00 N ATOM 616 CA PHE A 40 -5.391 -7.626 1.361 1.00 0.00 C ATOM 617 C PHE A 40 -6.241 -8.073 2.553 1.00 0.00 C ATOM 618 O PHE A 40 -7.360 -8.560 2.377 1.00 0.00 O ATOM 619 CB PHE A 40 -4.292 -8.657 1.081 1.00 0.00 C ATOM 620 CG PHE A 40 -4.807 -10.029 0.739 1.00 0.00 C ATOM 621 CD1 PHE A 40 -5.730 -10.210 -0.280 1.00 0.00 C ATOM 622 CD2 PHE A 40 -4.362 -11.139 1.439 1.00 0.00 C ATOM 623 CE1 PHE A 40 -6.198 -11.473 -0.593 1.00 0.00 C ATOM 624 CE2 PHE A 40 -4.826 -12.403 1.130 1.00 0.00 C ATOM 625 CZ PHE A 40 -5.745 -12.571 0.113 1.00 0.00 C ATOM 0 H PHE A 40 -3.778 -6.300 1.607 1.00 0.00 H new ATOM 0 HA PHE A 40 -6.038 -7.551 0.487 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -3.673 -8.298 0.259 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -3.647 -8.731 1.957 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -6.087 -9.355 -0.835 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -3.644 -11.014 2.236 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -6.917 -11.601 -1.389 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -4.470 -13.259 1.684 1.00 0.00 H new ATOM 0 HZ PHE A 40 -6.109 -13.558 -0.130 1.00 0.00 H new ATOM 635 N GLU A 41 -5.705 -7.897 3.763 1.00 0.00 N ATOM 636 CA GLU A 41 -6.417 -8.271 4.987 1.00 0.00 C ATOM 637 C GLU A 41 -7.780 -7.575 5.055 1.00 0.00 C ATOM 638 O GLU A 41 -8.778 -8.182 5.450 1.00 0.00 O ATOM 639 CB GLU A 41 -5.579 -7.909 6.220 1.00 0.00 C ATOM 640 CG GLU A 41 -6.181 -8.386 7.536 1.00 0.00 C ATOM 641 CD GLU A 41 -5.551 -9.669 8.052 1.00 0.00 C ATOM 642 OE1 GLU A 41 -4.303 -9.752 8.087 1.00 0.00 O ATOM 643 OE2 GLU A 41 -6.306 -10.587 8.431 1.00 0.00 O ATOM 0 H GLU A 41 -4.780 -7.498 3.921 1.00 0.00 H new ATOM 0 HA GLU A 41 -6.580 -9.349 4.973 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -4.584 -8.339 6.110 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -5.456 -6.827 6.259 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.064 -7.604 8.286 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.251 -8.542 7.403 1.00 0.00 H new ATOM 650 N GLY A 42 -7.810 -6.300 4.661 1.00 0.00 N ATOM 651 CA GLY A 42 -9.048 -5.537 4.676 1.00 0.00 C ATOM 652 C GLY A 42 -8.822 -4.059 4.949 1.00 0.00 C ATOM 653 O GLY A 42 -9.502 -3.468 5.790 1.00 0.00 O ATOM 0 H GLY A 42 -6.995 -5.782 4.331 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -9.553 -5.652 3.717 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.713 -5.946 5.437 1.00 0.00 H new ATOM 657 N GLU A 43 -7.864 -3.462 4.238 1.00 0.00 N ATOM 658 CA GLU A 43 -7.546 -2.048 4.409 1.00 0.00 C ATOM 659 C GLU A 43 -7.922 -1.245 3.167 1.00 0.00 C ATOM 660 O GLU A 43 -7.459 -1.536 2.063 1.00 0.00 O ATOM 661 CB GLU A 43 -6.057 -1.870 4.713 1.00 0.00 C ATOM 662 CG GLU A 43 -5.774 -0.803 5.760 1.00 0.00 C ATOM 663 CD GLU A 43 -4.431 -0.988 6.442 1.00 0.00 C ATOM 664 OE1 GLU A 43 -4.164 -2.101 6.944 1.00 0.00 O ATOM 665 OE2 GLU A 43 -3.646 -0.017 6.474 1.00 0.00 O ATOM 0 H GLU A 43 -7.296 -3.939 3.538 1.00 0.00 H new ATOM 0 HA GLU A 43 -8.130 -1.673 5.250 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -5.648 -2.821 5.055 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -5.535 -1.611 3.792 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.804 0.179 5.288 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.563 -0.820 6.512 1.00 0.00 H new ATOM 672 N LYS A 44 -8.764 -0.231 3.362 1.00 0.00 N ATOM 673 CA LYS A 44 -9.209 0.630 2.268 1.00 0.00 C ATOM 674 C LYS A 44 -8.869 2.094 2.549 1.00 0.00 C ATOM 675 O LYS A 44 -8.392 2.807 1.663 1.00 0.00 O ATOM 676 CB LYS A 44 -10.718 0.476 2.048 1.00 0.00 C ATOM 677 CG LYS A 44 -11.078 -0.638 1.078 1.00 0.00 C ATOM 678 CD LYS A 44 -12.565 -0.956 1.118 1.00 0.00 C ATOM 679 CE LYS A 44 -12.851 -2.184 1.970 1.00 0.00 C ATOM 680 NZ LYS A 44 -14.192 -2.767 1.680 1.00 0.00 N ATOM 0 H LYS A 44 -9.153 0.015 4.272 1.00 0.00 H new ATOM 0 HA LYS A 44 -8.684 0.323 1.363 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -11.199 0.282 3.007 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -11.121 1.417 1.674 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.795 -0.346 0.067 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -10.507 -1.534 1.323 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -13.110 -0.101 1.517 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -12.930 -1.122 0.104 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.083 -2.936 1.791 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -12.794 -1.915 3.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -14.346 -3.601 2.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -14.928 -2.059 1.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -14.239 -3.049 0.680 1.00 0.00 H new ATOM 694 N VAL A 45 -9.111 2.537 3.786 1.00 0.00 N ATOM 695 CA VAL A 45 -8.824 3.914 4.177 1.00 0.00 C ATOM 696 C VAL A 45 -7.614 3.978 5.111 1.00 0.00 C ATOM 697 O VAL A 45 -7.658 3.489 6.242 1.00 0.00 O ATOM 698 CB VAL A 45 -10.049 4.588 4.847 1.00 0.00 C ATOM 699 CG1 VAL A 45 -10.447 3.870 6.132 1.00 0.00 C ATOM 700 CG2 VAL A 45 -9.777 6.065 5.110 1.00 0.00 C ATOM 0 H VAL A 45 -9.504 1.961 4.530 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.593 4.464 3.264 1.00 0.00 H new ATOM 0 HB VAL A 45 -10.888 4.513 4.155 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.309 4.369 6.575 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.703 2.835 5.906 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -9.614 3.892 6.834 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -10.650 6.518 5.580 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.916 6.164 5.771 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.570 6.570 4.167 1.00 0.00 H new ATOM 710 N ALA A 46 -6.533 4.580 4.620 1.00 0.00 N ATOM 711 CA ALA A 46 -5.304 4.711 5.397 1.00 0.00 C ATOM 712 C ALA A 46 -5.158 6.122 5.964 1.00 0.00 C ATOM 713 O ALA A 46 -5.847 7.050 5.529 1.00 0.00 O ATOM 714 CB ALA A 46 -4.099 4.352 4.538 1.00 0.00 C ATOM 0 H ALA A 46 -6.484 4.985 3.685 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.356 4.018 6.237 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.188 4.453 5.128 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.193 3.323 4.190 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.052 5.022 3.680 1.00 0.00 H new ATOM 720 N VAL A 47 -4.259 6.277 6.936 1.00 0.00 N ATOM 721 CA VAL A 47 -4.022 7.574 7.566 1.00 0.00 C ATOM 722 C VAL A 47 -2.548 7.970 7.480 1.00 0.00 C ATOM 723 O VAL A 47 -1.662 7.190 7.836 1.00 0.00 O ATOM 724 CB VAL A 47 -4.480 7.576 9.047 1.00 0.00 C ATOM 725 CG1 VAL A 47 -3.700 6.557 9.872 1.00 0.00 C ATOM 726 CG2 VAL A 47 -4.355 8.969 9.650 1.00 0.00 C ATOM 0 H VAL A 47 -3.683 5.520 7.304 1.00 0.00 H new ATOM 0 HA VAL A 47 -4.614 8.307 7.019 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.530 7.286 9.069 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.046 6.584 10.905 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.859 5.559 9.462 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.638 6.798 9.838 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.682 8.946 10.690 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.316 9.294 9.604 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.978 9.666 9.089 1.00 0.00 H new ATOM 736 N CYS A 48 -2.296 9.189 7.001 1.00 0.00 N ATOM 737 CA CYS A 48 -0.932 9.697 6.866 1.00 0.00 C ATOM 738 C CYS A 48 -0.297 9.917 8.238 1.00 0.00 C ATOM 739 O CYS A 48 -0.932 10.467 9.141 1.00 0.00 O ATOM 740 CB CYS A 48 -0.930 11.010 6.074 1.00 0.00 C ATOM 741 SG CYS A 48 0.719 11.758 5.859 1.00 0.00 S ATOM 0 H CYS A 48 -3.019 9.842 6.700 1.00 0.00 H new ATOM 0 HA CYS A 48 -0.345 8.954 6.327 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -1.364 10.828 5.091 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -1.577 11.726 6.580 1.00 0.00 H new ATOM 0 HG CYS A 48 0.750 12.428 4.745 1.00 0.00 H new ATOM 746 N PRO A 49 0.971 9.493 8.417 1.00 0.00 N ATOM 747 CA PRO A 49 1.688 9.652 9.685 1.00 0.00 C ATOM 748 C PRO A 49 2.333 11.038 9.842 1.00 0.00 C ATOM 749 O PRO A 49 3.262 11.209 10.634 1.00 0.00 O ATOM 750 CB PRO A 49 2.756 8.564 9.599 1.00 0.00 C ATOM 751 CG PRO A 49 3.064 8.451 8.142 1.00 0.00 C ATOM 752 CD PRO A 49 1.804 8.825 7.398 1.00 0.00 C ATOM 0 HA PRO A 49 1.026 9.567 10.547 1.00 0.00 H new ATOM 0 HB2 PRO A 49 3.643 8.834 10.172 1.00 0.00 H new ATOM 0 HB3 PRO A 49 2.392 7.619 10.001 1.00 0.00 H new ATOM 0 HG2 PRO A 49 3.885 9.113 7.868 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.375 7.437 7.890 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.018 9.488 6.560 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.306 7.946 6.990 1.00 0.00 H new ATOM 760 N SER A 50 1.831 12.021 9.088 1.00 0.00 N ATOM 761 CA SER A 50 2.347 13.386 9.142 1.00 0.00 C ATOM 762 C SER A 50 1.205 14.383 9.342 1.00 0.00 C ATOM 763 O SER A 50 1.211 15.159 10.300 1.00 0.00 O ATOM 764 CB SER A 50 3.116 13.718 7.858 1.00 0.00 C ATOM 765 OG SER A 50 3.921 14.874 8.027 1.00 0.00 O ATOM 0 H SER A 50 1.063 11.892 8.430 1.00 0.00 H new ATOM 0 HA SER A 50 3.029 13.461 9.989 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.744 12.872 7.578 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.413 13.878 7.041 1.00 0.00 H new ATOM 0 HG SER A 50 4.402 15.062 7.194 1.00 0.00 H new ATOM 771 N CYS A 51 0.226 14.355 8.432 1.00 0.00 N ATOM 772 CA CYS A 51 -0.927 15.258 8.510 1.00 0.00 C ATOM 773 C CYS A 51 -2.171 14.566 9.091 1.00 0.00 C ATOM 774 O CYS A 51 -3.162 15.231 9.398 1.00 0.00 O ATOM 775 CB CYS A 51 -1.253 15.826 7.127 1.00 0.00 C ATOM 776 SG CYS A 51 -1.970 14.612 5.971 1.00 0.00 S ATOM 0 H CYS A 51 0.209 13.719 7.635 1.00 0.00 H new ATOM 0 HA CYS A 51 -0.652 16.068 9.185 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -1.950 16.656 7.243 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -0.341 16.233 6.690 1.00 0.00 H new ATOM 0 HG CYS A 51 -1.108 13.665 5.746 1.00 0.00 H new ATOM 781 N SER A 52 -2.116 13.235 9.233 1.00 0.00 N ATOM 782 CA SER A 52 -3.235 12.453 9.773 1.00 0.00 C ATOM 783 C SER A 52 -4.503 12.603 8.914 1.00 0.00 C ATOM 784 O SER A 52 -5.623 12.612 9.434 1.00 0.00 O ATOM 785 CB SER A 52 -3.501 12.844 11.241 1.00 0.00 C ATOM 786 OG SER A 52 -4.364 13.967 11.348 1.00 0.00 O ATOM 0 H SER A 52 -1.302 12.675 8.979 1.00 0.00 H new ATOM 0 HA SER A 52 -2.956 11.400 9.742 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.942 11.997 11.767 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.554 13.067 11.733 1.00 0.00 H new ATOM 0 HG SER A 52 -3.984 14.720 10.849 1.00 0.00 H new ATOM 792 N LEU A 53 -4.317 12.705 7.595 1.00 0.00 N ATOM 793 CA LEU A 53 -5.437 12.839 6.665 1.00 0.00 C ATOM 794 C LEU A 53 -5.843 11.472 6.106 1.00 0.00 C ATOM 795 O LEU A 53 -5.029 10.774 5.495 1.00 0.00 O ATOM 796 CB LEU A 53 -5.061 13.798 5.528 1.00 0.00 C ATOM 797 CG LEU A 53 -6.201 14.167 4.576 1.00 0.00 C ATOM 798 CD1 LEU A 53 -6.135 15.643 4.212 1.00 0.00 C ATOM 799 CD2 LEU A 53 -6.150 13.303 3.325 1.00 0.00 C ATOM 0 H LEU A 53 -3.400 12.697 7.149 1.00 0.00 H new ATOM 0 HA LEU A 53 -6.291 13.250 7.203 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.664 14.714 5.965 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.256 13.348 4.947 1.00 0.00 H new ATOM 0 HG LEU A 53 -7.148 13.982 5.083 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.953 15.888 3.534 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -6.221 16.245 5.117 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.184 15.855 3.724 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.968 13.579 2.659 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.199 13.457 2.815 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.247 12.254 3.603 1.00 0.00 H new ATOM 811 N MET A 54 -7.106 11.094 6.327 1.00 0.00 N ATOM 812 CA MET A 54 -7.623 9.807 5.852 1.00 0.00 C ATOM 813 C MET A 54 -8.124 9.911 4.411 1.00 0.00 C ATOM 814 O MET A 54 -8.725 10.916 4.021 1.00 0.00 O ATOM 815 CB MET A 54 -8.756 9.306 6.759 1.00 0.00 C ATOM 816 CG MET A 54 -8.276 8.527 7.976 1.00 0.00 C ATOM 817 SD MET A 54 -9.617 8.135 9.119 1.00 0.00 S ATOM 818 CE MET A 54 -9.199 6.455 9.585 1.00 0.00 C ATOM 0 H MET A 54 -7.788 11.660 6.831 1.00 0.00 H new ATOM 0 HA MET A 54 -6.801 9.092 5.884 1.00 0.00 H new ATOM 0 HB2 MET A 54 -9.343 10.161 7.096 1.00 0.00 H new ATOM 0 HB3 MET A 54 -9.422 8.672 6.174 1.00 0.00 H new ATOM 0 HG2 MET A 54 -7.801 7.603 7.647 1.00 0.00 H new ATOM 0 HG3 MET A 54 -7.516 9.108 8.498 1.00 0.00 H new ATOM 0 HE1 MET A 54 -9.940 6.078 10.290 1.00 0.00 H new ATOM 0 HE2 MET A 54 -9.188 5.823 8.697 1.00 0.00 H new ATOM 0 HE3 MET A 54 -8.214 6.441 10.052 1.00 0.00 H new ATOM 828 N ILE A 55 -7.871 8.859 3.627 1.00 0.00 N ATOM 829 CA ILE A 55 -8.290 8.815 2.224 1.00 0.00 C ATOM 830 C ILE A 55 -8.686 7.398 1.801 1.00 0.00 C ATOM 831 O ILE A 55 -8.120 6.417 2.288 1.00 0.00 O ATOM 832 CB ILE A 55 -7.172 9.311 1.275 1.00 0.00 C ATOM 833 CG1 ILE A 55 -5.880 8.509 1.491 1.00 0.00 C ATOM 834 CG2 ILE A 55 -6.916 10.799 1.470 1.00 0.00 C ATOM 835 CD1 ILE A 55 -5.088 8.275 0.219 1.00 0.00 C ATOM 0 H ILE A 55 -7.377 8.024 3.942 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.152 9.477 2.145 1.00 0.00 H new ATOM 0 HB ILE A 55 -7.506 9.154 0.249 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -5.251 9.036 2.208 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -6.131 7.546 1.935 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -6.127 11.124 0.792 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -7.829 11.356 1.258 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.609 10.984 2.500 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.190 7.703 0.450 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.699 7.720 -0.493 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.806 9.234 -0.215 1.00 0.00 H new ATOM 847 N ASP A 56 -9.644 7.303 0.875 1.00 0.00 N ATOM 848 CA ASP A 56 -10.099 6.007 0.366 1.00 0.00 C ATOM 849 C ASP A 56 -9.330 5.630 -0.896 1.00 0.00 C ATOM 850 O ASP A 56 -9.585 6.176 -1.972 1.00 0.00 O ATOM 851 CB ASP A 56 -11.601 6.030 0.052 1.00 0.00 C ATOM 852 CG ASP A 56 -12.475 6.078 1.292 1.00 0.00 C ATOM 853 OD1 ASP A 56 -12.123 5.429 2.300 1.00 0.00 O ATOM 854 OD2 ASP A 56 -13.520 6.761 1.250 1.00 0.00 O ATOM 0 H ASP A 56 -10.119 8.107 0.463 1.00 0.00 H new ATOM 0 HA ASP A 56 -9.913 5.266 1.143 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -11.821 6.896 -0.572 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -11.857 5.144 -0.530 1.00 0.00 H new ATOM 859 N VAL A 57 -8.394 4.695 -0.767 1.00 0.00 N ATOM 860 CA VAL A 57 -7.602 4.253 -1.909 1.00 0.00 C ATOM 861 C VAL A 57 -8.136 2.931 -2.464 1.00 0.00 C ATOM 862 O VAL A 57 -8.057 1.888 -1.810 1.00 0.00 O ATOM 863 CB VAL A 57 -6.101 4.115 -1.555 1.00 0.00 C ATOM 864 CG1 VAL A 57 -5.876 3.060 -0.480 1.00 0.00 C ATOM 865 CG2 VAL A 57 -5.284 3.805 -2.804 1.00 0.00 C ATOM 0 H VAL A 57 -8.166 4.231 0.112 1.00 0.00 H new ATOM 0 HA VAL A 57 -7.693 5.022 -2.676 1.00 0.00 H new ATOM 0 HB VAL A 57 -5.763 5.069 -1.150 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.812 2.990 -0.256 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -6.419 3.339 0.423 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.236 2.095 -0.836 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.232 3.711 -2.536 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.631 2.870 -3.243 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.404 4.612 -3.527 1.00 0.00 H new ATOM 875 N VAL A 58 -8.686 2.987 -3.677 1.00 0.00 N ATOM 876 CA VAL A 58 -9.237 1.800 -4.322 1.00 0.00 C ATOM 877 C VAL A 58 -8.126 0.970 -4.967 1.00 0.00 C ATOM 878 O VAL A 58 -7.279 1.501 -5.686 1.00 0.00 O ATOM 879 CB VAL A 58 -10.311 2.167 -5.376 1.00 0.00 C ATOM 880 CG1 VAL A 58 -9.719 2.988 -6.516 1.00 0.00 C ATOM 881 CG2 VAL A 58 -10.990 0.911 -5.910 1.00 0.00 C ATOM 0 H VAL A 58 -8.761 3.841 -4.230 1.00 0.00 H new ATOM 0 HA VAL A 58 -9.719 1.204 -3.547 1.00 0.00 H new ATOM 0 HB VAL A 58 -11.062 2.784 -4.883 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -10.501 3.227 -7.236 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -9.297 3.911 -6.119 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -8.935 2.413 -7.009 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -11.741 1.190 -6.649 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -10.246 0.265 -6.375 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -11.469 0.379 -5.088 1.00 0.00 H new ATOM 891 N PHE A 59 -8.131 -0.333 -4.690 1.00 0.00 N ATOM 892 CA PHE A 59 -7.118 -1.239 -5.227 1.00 0.00 C ATOM 893 C PHE A 59 -7.755 -2.510 -5.798 1.00 0.00 C ATOM 894 O PHE A 59 -8.972 -2.693 -5.719 1.00 0.00 O ATOM 895 CB PHE A 59 -6.104 -1.598 -4.134 1.00 0.00 C ATOM 896 CG PHE A 59 -6.693 -2.372 -2.984 1.00 0.00 C ATOM 897 CD1 PHE A 59 -7.363 -1.719 -1.960 1.00 0.00 C ATOM 898 CD2 PHE A 59 -6.572 -3.752 -2.925 1.00 0.00 C ATOM 899 CE1 PHE A 59 -7.901 -2.427 -0.902 1.00 0.00 C ATOM 900 CE2 PHE A 59 -7.107 -4.465 -1.869 1.00 0.00 C ATOM 901 CZ PHE A 59 -7.773 -3.801 -0.857 1.00 0.00 C ATOM 0 H PHE A 59 -8.826 -0.785 -4.096 1.00 0.00 H new ATOM 0 HA PHE A 59 -6.603 -0.729 -6.041 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -5.298 -2.183 -4.578 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -5.658 -0.680 -3.751 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -7.466 -0.644 -1.990 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.053 -4.276 -3.714 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -8.421 -1.906 -0.111 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -7.005 -5.540 -1.835 1.00 0.00 H new ATOM 0 HZ PHE A 59 -8.193 -4.356 -0.031 1.00 0.00 H new ATOM 911 N ASP A 60 -6.924 -3.384 -6.374 1.00 0.00 N ATOM 912 CA ASP A 60 -7.405 -4.635 -6.959 1.00 0.00 C ATOM 913 C ASP A 60 -6.724 -5.846 -6.323 1.00 0.00 C ATOM 914 O ASP A 60 -5.544 -5.793 -5.972 1.00 0.00 O ATOM 915 CB ASP A 60 -7.163 -4.642 -8.472 1.00 0.00 C ATOM 916 CG ASP A 60 -8.223 -5.422 -9.229 1.00 0.00 C ATOM 917 OD1 ASP A 60 -9.424 -5.242 -8.933 1.00 0.00 O ATOM 918 OD2 ASP A 60 -7.850 -6.214 -10.119 1.00 0.00 O ATOM 0 H ASP A 60 -5.916 -3.247 -6.447 1.00 0.00 H new ATOM 0 HA ASP A 60 -8.475 -4.702 -6.763 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -7.142 -3.615 -8.838 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -6.183 -5.074 -8.678 1.00 0.00 H new ATOM 923 N LYS A 61 -7.477 -6.940 -6.184 1.00 0.00 N ATOM 924 CA LYS A 61 -6.948 -8.173 -5.596 1.00 0.00 C ATOM 925 C LYS A 61 -6.063 -8.924 -6.592 1.00 0.00 C ATOM 926 O LYS A 61 -5.018 -9.461 -6.216 1.00 0.00 O ATOM 927 CB LYS A 61 -8.091 -9.078 -5.127 1.00 0.00 C ATOM 928 CG LYS A 61 -8.661 -8.682 -3.775 1.00 0.00 C ATOM 929 CD LYS A 61 -9.122 -9.897 -2.984 1.00 0.00 C ATOM 930 CE LYS A 61 -10.181 -9.526 -1.955 1.00 0.00 C ATOM 931 NZ LYS A 61 -11.564 -9.717 -2.477 1.00 0.00 N ATOM 0 H LYS A 61 -8.454 -6.997 -6.470 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.339 -7.896 -4.736 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -8.889 -9.057 -5.869 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -7.732 -10.106 -5.074 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.905 -8.141 -3.205 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -9.500 -8.001 -3.918 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.524 -10.646 -3.667 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.268 -10.350 -2.481 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -10.045 -10.134 -1.061 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.047 -8.486 -1.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -12.252 -9.452 -1.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -11.704 -9.118 -3.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -11.702 -10.714 -2.737 1.00 0.00 H new ATOM 945 N GLU A 62 -6.480 -8.951 -7.862 1.00 0.00 N ATOM 946 CA GLU A 62 -5.713 -9.630 -8.909 1.00 0.00 C ATOM 947 C GLU A 62 -4.303 -9.043 -9.010 1.00 0.00 C ATOM 948 O GLU A 62 -3.333 -9.773 -9.228 1.00 0.00 O ATOM 949 CB GLU A 62 -6.424 -9.519 -10.263 1.00 0.00 C ATOM 950 CG GLU A 62 -6.165 -10.707 -11.184 1.00 0.00 C ATOM 951 CD GLU A 62 -6.774 -10.544 -12.568 1.00 0.00 C ATOM 952 OE1 GLU A 62 -7.818 -9.867 -12.691 1.00 0.00 O ATOM 953 OE2 GLU A 62 -6.207 -11.102 -13.531 1.00 0.00 O ATOM 0 H GLU A 62 -7.341 -8.512 -8.188 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.637 -10.684 -8.641 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.497 -9.427 -10.095 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -6.100 -8.605 -10.761 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.089 -10.852 -11.284 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.567 -11.609 -10.723 1.00 0.00 H new ATOM 960 N ASP A 63 -4.199 -7.720 -8.839 1.00 0.00 N ATOM 961 CA ASP A 63 -2.911 -7.029 -8.897 1.00 0.00 C ATOM 962 C ASP A 63 -1.924 -7.627 -7.894 1.00 0.00 C ATOM 963 O ASP A 63 -0.758 -7.846 -8.218 1.00 0.00 O ATOM 964 CB ASP A 63 -3.088 -5.530 -8.613 1.00 0.00 C ATOM 965 CG ASP A 63 -3.323 -4.709 -9.869 1.00 0.00 C ATOM 966 OD1 ASP A 63 -2.500 -4.800 -10.805 1.00 0.00 O ATOM 967 OD2 ASP A 63 -4.325 -3.964 -9.910 1.00 0.00 O ATOM 0 H ASP A 63 -4.995 -7.108 -8.659 1.00 0.00 H new ATOM 0 HA ASP A 63 -2.511 -7.157 -9.903 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.929 -5.392 -7.933 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -2.201 -5.156 -8.102 1.00 0.00 H new ATOM 972 N LEU A 64 -2.401 -7.890 -6.673 1.00 0.00 N ATOM 973 CA LEU A 64 -1.559 -8.464 -5.621 1.00 0.00 C ATOM 974 C LEU A 64 -0.871 -9.742 -6.100 1.00 0.00 C ATOM 975 O LEU A 64 0.352 -9.862 -6.016 1.00 0.00 O ATOM 976 CB LEU A 64 -2.385 -8.759 -4.368 1.00 0.00 C ATOM 977 CG LEU A 64 -2.465 -7.611 -3.361 1.00 0.00 C ATOM 978 CD1 LEU A 64 -3.635 -6.693 -3.683 1.00 0.00 C ATOM 979 CD2 LEU A 64 -2.581 -8.157 -1.946 1.00 0.00 C ATOM 0 H LEU A 64 -3.365 -7.714 -6.390 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.792 -7.729 -5.376 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.397 -9.026 -4.673 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.962 -9.631 -3.869 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.548 -7.025 -3.430 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.673 -5.883 -2.954 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.506 -6.276 -4.682 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.565 -7.261 -3.644 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.637 -7.329 -1.240 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.481 -8.766 -1.864 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.708 -8.769 -1.719 1.00 0.00 H new ATOM 991 N ALA A 65 -1.662 -10.690 -6.609 1.00 0.00 N ATOM 992 CA ALA A 65 -1.122 -11.954 -7.111 1.00 0.00 C ATOM 993 C ALA A 65 -0.068 -11.705 -8.190 1.00 0.00 C ATOM 994 O ALA A 65 0.961 -12.381 -8.233 1.00 0.00 O ATOM 995 CB ALA A 65 -2.239 -12.838 -7.650 1.00 0.00 C ATOM 0 H ALA A 65 -2.676 -10.606 -6.684 1.00 0.00 H new ATOM 0 HA ALA A 65 -0.643 -12.472 -6.280 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -1.817 -13.773 -8.019 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.951 -13.051 -6.853 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.749 -12.324 -8.465 1.00 0.00 H new ATOM 1001 N GLU A 66 -0.330 -10.718 -9.051 1.00 0.00 N ATOM 1002 CA GLU A 66 0.596 -10.362 -10.124 1.00 0.00 C ATOM 1003 C GLU A 66 1.870 -9.723 -9.562 1.00 0.00 C ATOM 1004 O GLU A 66 2.969 -9.989 -10.046 1.00 0.00 O ATOM 1005 CB GLU A 66 -0.076 -9.405 -11.114 1.00 0.00 C ATOM 1006 CG GLU A 66 0.323 -9.652 -12.561 1.00 0.00 C ATOM 1007 CD GLU A 66 -0.704 -10.469 -13.323 1.00 0.00 C ATOM 1008 OE1 GLU A 66 -1.065 -11.567 -12.846 1.00 0.00 O ATOM 1009 OE2 GLU A 66 -1.146 -10.012 -14.398 1.00 0.00 O ATOM 0 H GLU A 66 -1.178 -10.152 -9.024 1.00 0.00 H new ATOM 0 HA GLU A 66 0.872 -11.278 -10.646 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -1.158 -9.500 -11.022 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.178 -8.380 -10.845 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.464 -8.695 -13.063 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.282 -10.169 -12.585 1.00 0.00 H new ATOM 1016 N TYR A 67 1.715 -8.877 -8.542 1.00 0.00 N ATOM 1017 CA TYR A 67 2.855 -8.201 -7.921 1.00 0.00 C ATOM 1018 C TYR A 67 3.739 -9.181 -7.149 1.00 0.00 C ATOM 1019 O TYR A 67 4.963 -9.053 -7.158 1.00 0.00 O ATOM 1020 CB TYR A 67 2.379 -7.091 -6.982 1.00 0.00 C ATOM 1021 CG TYR A 67 1.797 -5.892 -7.698 1.00 0.00 C ATOM 1022 CD1 TYR A 67 2.453 -5.313 -8.778 1.00 0.00 C ATOM 1023 CD2 TYR A 67 0.591 -5.339 -7.290 1.00 0.00 C ATOM 1024 CE1 TYR A 67 1.922 -4.218 -9.431 1.00 0.00 C ATOM 1025 CE2 TYR A 67 0.053 -4.245 -7.938 1.00 0.00 C ATOM 1026 CZ TYR A 67 0.721 -3.688 -9.007 1.00 0.00 C ATOM 1027 OH TYR A 67 0.188 -2.598 -9.654 1.00 0.00 O ATOM 0 H TYR A 67 0.812 -8.644 -8.129 1.00 0.00 H new ATOM 0 HA TYR A 67 3.448 -7.764 -8.725 1.00 0.00 H new ATOM 0 HB2 TYR A 67 1.628 -7.498 -6.305 1.00 0.00 H new ATOM 0 HB3 TYR A 67 3.218 -6.764 -6.368 1.00 0.00 H new ATOM 0 HD1 TYR A 67 3.393 -5.726 -9.112 1.00 0.00 H new ATOM 0 HD2 TYR A 67 0.065 -5.772 -6.452 1.00 0.00 H new ATOM 0 HE1 TYR A 67 2.444 -3.779 -10.269 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.887 -3.828 -7.609 1.00 0.00 H new ATOM 0 HH TYR A 67 -0.661 -2.350 -9.232 1.00 0.00 H new ATOM 1037 N TYR A 68 3.122 -10.157 -6.481 1.00 0.00 N ATOM 1038 CA TYR A 68 3.878 -11.146 -5.712 1.00 0.00 C ATOM 1039 C TYR A 68 4.795 -11.955 -6.629 1.00 0.00 C ATOM 1040 O TYR A 68 5.928 -12.269 -6.258 1.00 0.00 O ATOM 1041 CB TYR A 68 2.939 -12.080 -4.939 1.00 0.00 C ATOM 1042 CG TYR A 68 2.611 -11.590 -3.543 1.00 0.00 C ATOM 1043 CD1 TYR A 68 1.989 -10.362 -3.344 1.00 0.00 C ATOM 1044 CD2 TYR A 68 2.924 -12.353 -2.424 1.00 0.00 C ATOM 1045 CE1 TYR A 68 1.689 -9.911 -2.074 1.00 0.00 C ATOM 1046 CE2 TYR A 68 2.627 -11.907 -1.149 1.00 0.00 C ATOM 1047 CZ TYR A 68 2.009 -10.686 -0.981 1.00 0.00 C ATOM 1048 OH TYR A 68 1.712 -10.238 0.287 1.00 0.00 O ATOM 0 H TYR A 68 2.110 -10.283 -6.457 1.00 0.00 H new ATOM 0 HA TYR A 68 4.493 -10.609 -4.990 1.00 0.00 H new ATOM 0 HB2 TYR A 68 2.012 -12.197 -5.501 1.00 0.00 H new ATOM 0 HB3 TYR A 68 3.397 -13.067 -4.871 1.00 0.00 H new ATOM 0 HD1 TYR A 68 1.736 -9.751 -4.198 1.00 0.00 H new ATOM 0 HD2 TYR A 68 3.407 -13.310 -2.552 1.00 0.00 H new ATOM 0 HE1 TYR A 68 1.206 -8.955 -1.938 1.00 0.00 H new ATOM 0 HE2 TYR A 68 2.878 -12.512 -0.290 1.00 0.00 H new ATOM 0 HH TYR A 68 2.002 -10.903 0.945 1.00 0.00 H new ATOM 1058 N GLU A 69 4.305 -12.274 -7.831 1.00 0.00 N ATOM 1059 CA GLU A 69 5.092 -13.032 -8.804 1.00 0.00 C ATOM 1060 C GLU A 69 6.069 -12.120 -9.553 1.00 0.00 C ATOM 1061 O GLU A 69 7.187 -12.530 -9.871 1.00 0.00 O ATOM 1062 CB GLU A 69 4.179 -13.760 -9.804 1.00 0.00 C ATOM 1063 CG GLU A 69 3.275 -12.837 -10.613 1.00 0.00 C ATOM 1064 CD GLU A 69 2.640 -13.530 -11.804 1.00 0.00 C ATOM 1065 OE1 GLU A 69 1.854 -14.478 -11.592 1.00 0.00 O ATOM 1066 OE2 GLU A 69 2.926 -13.122 -12.950 1.00 0.00 O ATOM 0 H GLU A 69 3.371 -12.020 -8.151 1.00 0.00 H new ATOM 0 HA GLU A 69 5.667 -13.776 -8.252 1.00 0.00 H new ATOM 0 HB2 GLU A 69 4.799 -14.337 -10.491 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.559 -14.472 -9.260 1.00 0.00 H new ATOM 0 HG2 GLU A 69 2.490 -12.446 -9.965 1.00 0.00 H new ATOM 0 HG3 GLU A 69 3.855 -11.983 -10.962 1.00 0.00 H new ATOM 1073 N GLU A 70 5.642 -10.885 -9.834 1.00 0.00 N ATOM 1074 CA GLU A 70 6.485 -9.922 -10.550 1.00 0.00 C ATOM 1075 C GLU A 70 7.626 -9.404 -9.669 1.00 0.00 C ATOM 1076 O GLU A 70 8.730 -9.157 -10.160 1.00 0.00 O ATOM 1077 CB GLU A 70 5.648 -8.742 -11.057 1.00 0.00 C ATOM 1078 CG GLU A 70 4.944 -9.011 -12.379 1.00 0.00 C ATOM 1079 CD GLU A 70 4.867 -7.777 -13.259 1.00 0.00 C ATOM 1080 OE1 GLU A 70 4.015 -6.904 -12.986 1.00 0.00 O ATOM 1081 OE2 GLU A 70 5.659 -7.683 -14.220 1.00 0.00 O ATOM 0 H GLU A 70 4.721 -10.529 -9.578 1.00 0.00 H new ATOM 0 HA GLU A 70 6.921 -10.446 -11.400 1.00 0.00 H new ATOM 0 HB2 GLU A 70 4.902 -8.488 -10.304 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.295 -7.872 -11.171 1.00 0.00 H new ATOM 0 HG2 GLU A 70 5.471 -9.802 -12.913 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.936 -9.376 -12.182 1.00 0.00 H new ATOM 1088 N ALA A 71 7.359 -9.234 -8.371 1.00 0.00 N ATOM 1089 CA ALA A 71 8.367 -8.738 -7.437 1.00 0.00 C ATOM 1090 C ALA A 71 9.212 -9.878 -6.866 1.00 0.00 C ATOM 1091 O ALA A 71 10.439 -9.869 -6.988 1.00 0.00 O ATOM 1092 CB ALA A 71 7.705 -7.947 -6.315 1.00 0.00 C ATOM 0 H ALA A 71 6.453 -9.433 -7.946 1.00 0.00 H new ATOM 0 HA ALA A 71 9.036 -8.076 -7.987 1.00 0.00 H new ATOM 0 HB1 ALA A 71 8.468 -7.584 -5.627 1.00 0.00 H new ATOM 0 HB2 ALA A 71 7.164 -7.100 -6.737 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.009 -8.591 -5.778 1.00 0.00 H new