USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=16 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 170:sc= -1.69! USER MOD Set 1.2: A 28 CYS SG : rot 100:sc= -1.44 USER MOD Set 1.3: A 48 CYS SG : rot -159:sc= -0.668 USER MOD Set 1.4: A 51 CYS SG : rot -120:sc= -4.21! USER MOD Single : A 4 THR OG1 : rot -26:sc= 0.414 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl -139:sc= -3.7! (180deg=-6.2!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.00349 USER MOD Single : A 19 ASN : amide:sc= -0.053 X(o=-0.053,f=0) USER MOD Single : A 20 GLN : amide:sc= -1.08 K(o=-1.1,f=-2.2!) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) 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=-0.00801 K(o=-0.008,f=-1.1) USER MOD Single : A 35 TYR OH : rot 72:sc= 0.159 USER MOD Single : A 39 MET CE :methyl -155:sc= -0.124 (180deg=-0.767) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot -160:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 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 -14.295 9.659 5.336 1.00 0.00 N ATOM 48 CA THR A 4 -13.613 9.608 4.041 1.00 0.00 C ATOM 49 C THR A 4 -13.852 10.880 3.228 1.00 0.00 C ATOM 50 O THR A 4 -14.899 11.516 3.351 1.00 0.00 O ATOM 51 CB THR A 4 -14.088 8.389 3.244 1.00 0.00 C ATOM 52 OG1 THR A 4 -15.486 8.201 3.397 1.00 0.00 O ATOM 53 CG2 THR A 4 -13.402 7.104 3.655 1.00 0.00 C ATOM 0 HA THR A 4 -12.543 9.526 4.234 1.00 0.00 H new ATOM 0 HB THR A 4 -13.832 8.603 2.206 1.00 0.00 H new ATOM 0 HG1 THR A 4 -15.775 8.581 4.253 1.00 0.00 H new ATOM 0 HG21 THR A 4 -13.783 6.279 3.053 1.00 0.00 H new ATOM 0 HG22 THR A 4 -12.327 7.200 3.500 1.00 0.00 H new ATOM 0 HG23 THR A 4 -13.601 6.906 4.708 1.00 0.00 H new ATOM 61 N TYR A 5 -12.875 11.238 2.390 1.00 0.00 N ATOM 62 CA TYR A 5 -12.981 12.430 1.548 1.00 0.00 C ATOM 63 C TYR A 5 -13.194 12.054 0.081 1.00 0.00 C ATOM 64 O TYR A 5 -14.072 12.603 -0.587 1.00 0.00 O ATOM 65 CB TYR A 5 -11.731 13.305 1.692 1.00 0.00 C ATOM 66 CG TYR A 5 -11.988 14.621 2.394 1.00 0.00 C ATOM 67 CD1 TYR A 5 -12.411 14.655 3.718 1.00 0.00 C ATOM 68 CD2 TYR A 5 -11.810 15.830 1.733 1.00 0.00 C ATOM 69 CE1 TYR A 5 -12.650 15.855 4.361 1.00 0.00 C ATOM 70 CE2 TYR A 5 -12.046 17.034 2.369 1.00 0.00 C ATOM 71 CZ TYR A 5 -12.466 17.041 3.683 1.00 0.00 C ATOM 72 OH TYR A 5 -12.704 18.238 4.320 1.00 0.00 O ATOM 0 H TYR A 5 -12.004 10.720 2.278 1.00 0.00 H new ATOM 0 HA TYR A 5 -13.849 12.997 1.884 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -10.972 12.751 2.244 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -11.322 13.505 0.702 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -12.555 13.728 4.253 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -11.481 15.829 0.704 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -12.979 15.863 5.390 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -11.902 17.965 1.840 1.00 0.00 H new ATOM 0 HH TYR A 5 -12.526 18.978 3.703 1.00 0.00 H new ATOM 82 N ASP A 6 -12.384 11.117 -0.412 1.00 0.00 N ATOM 83 CA ASP A 6 -12.479 10.661 -1.801 1.00 0.00 C ATOM 84 C ASP A 6 -12.036 9.201 -1.940 1.00 0.00 C ATOM 85 O ASP A 6 -11.564 8.591 -0.977 1.00 0.00 O ATOM 86 CB ASP A 6 -11.622 11.548 -2.715 1.00 0.00 C ATOM 87 CG ASP A 6 -12.378 12.757 -3.236 1.00 0.00 C ATOM 88 OD1 ASP A 6 -13.264 12.578 -4.098 1.00 0.00 O ATOM 89 OD2 ASP A 6 -12.080 13.882 -2.784 1.00 0.00 O ATOM 0 H ASP A 6 -11.653 10.657 0.131 1.00 0.00 H new ATOM 0 HA ASP A 6 -13.524 10.734 -2.101 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -10.742 11.884 -2.167 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -11.266 10.956 -3.558 1.00 0.00 H new ATOM 94 N GLU A 7 -12.190 8.649 -3.149 1.00 0.00 N ATOM 95 CA GLU A 7 -11.804 7.265 -3.429 1.00 0.00 C ATOM 96 C GLU A 7 -10.772 7.211 -4.556 1.00 0.00 C ATOM 97 O GLU A 7 -11.033 7.673 -5.669 1.00 0.00 O ATOM 98 CB GLU A 7 -13.036 6.434 -3.803 1.00 0.00 C ATOM 99 CG GLU A 7 -14.092 6.384 -2.707 1.00 0.00 C ATOM 100 CD GLU A 7 -15.501 6.213 -3.245 1.00 0.00 C ATOM 101 OE1 GLU A 7 -15.854 6.903 -4.224 1.00 0.00 O ATOM 102 OE2 GLU A 7 -16.253 5.388 -2.684 1.00 0.00 O ATOM 0 H GLU A 7 -12.581 9.144 -3.951 1.00 0.00 H new ATOM 0 HA GLU A 7 -11.356 6.845 -2.528 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -13.482 6.848 -4.707 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -12.721 5.418 -4.039 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -13.866 5.560 -2.030 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -14.042 7.302 -2.121 1.00 0.00 H new ATOM 109 N ILE A 8 -9.596 6.653 -4.259 1.00 0.00 N ATOM 110 CA ILE A 8 -8.515 6.547 -5.243 1.00 0.00 C ATOM 111 C ILE A 8 -8.207 5.084 -5.577 1.00 0.00 C ATOM 112 O ILE A 8 -8.414 4.195 -4.751 1.00 0.00 O ATOM 113 CB ILE A 8 -7.225 7.235 -4.734 1.00 0.00 C ATOM 114 CG1 ILE A 8 -7.535 8.632 -4.181 1.00 0.00 C ATOM 115 CG2 ILE A 8 -6.189 7.326 -5.848 1.00 0.00 C ATOM 116 CD1 ILE A 8 -7.734 8.663 -2.680 1.00 0.00 C ATOM 0 H ILE A 8 -9.367 6.267 -3.343 1.00 0.00 H new ATOM 0 HA ILE A 8 -8.858 7.053 -6.146 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.815 6.628 -3.927 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -6.720 9.306 -4.444 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -8.434 9.014 -4.666 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -5.290 7.813 -5.470 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -5.940 6.324 -6.196 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -6.595 7.907 -6.676 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -7.949 9.683 -2.363 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -8.568 8.015 -2.410 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.828 8.313 -2.186 1.00 0.00 H new ATOM 128 N GLU A 9 -7.710 4.842 -6.791 1.00 0.00 N ATOM 129 CA GLU A 9 -7.374 3.486 -7.231 1.00 0.00 C ATOM 130 C GLU A 9 -5.874 3.212 -7.099 1.00 0.00 C ATOM 131 O GLU A 9 -5.050 4.094 -7.344 1.00 0.00 O ATOM 132 CB GLU A 9 -7.810 3.278 -8.687 1.00 0.00 C ATOM 133 CG GLU A 9 -9.320 3.235 -8.878 1.00 0.00 C ATOM 134 CD GLU A 9 -9.754 3.752 -10.238 1.00 0.00 C ATOM 135 OE1 GLU A 9 -9.639 4.973 -10.473 1.00 0.00 O ATOM 136 OE2 GLU A 9 -10.212 2.936 -11.065 1.00 0.00 O ATOM 0 H GLU A 9 -7.531 5.566 -7.487 1.00 0.00 H new ATOM 0 HA GLU A 9 -7.908 2.787 -6.587 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -7.399 4.082 -9.298 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -7.380 2.346 -9.055 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -9.668 2.209 -8.756 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.798 3.829 -8.099 1.00 0.00 H new ATOM 143 N ILE A 10 -5.529 1.977 -6.719 1.00 0.00 N ATOM 144 CA ILE A 10 -4.127 1.576 -6.562 1.00 0.00 C ATOM 145 C ILE A 10 -3.347 1.738 -7.872 1.00 0.00 C ATOM 146 O ILE A 10 -2.141 1.988 -7.854 1.00 0.00 O ATOM 147 CB ILE A 10 -4.006 0.116 -6.059 1.00 0.00 C ATOM 148 CG1 ILE A 10 -2.547 -0.234 -5.745 1.00 0.00 C ATOM 149 CG2 ILE A 10 -4.577 -0.859 -7.080 1.00 0.00 C ATOM 150 CD1 ILE A 10 -1.996 0.475 -4.526 1.00 0.00 C ATOM 0 H ILE A 10 -6.202 1.238 -6.515 1.00 0.00 H new ATOM 0 HA ILE A 10 -3.693 2.239 -5.813 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.586 0.030 -5.140 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.466 -1.311 -5.595 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.930 0.015 -6.608 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.481 -1.878 -6.704 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -5.630 -0.633 -7.250 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.030 -0.765 -8.018 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.960 0.176 -4.369 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.043 1.553 -4.680 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.588 0.207 -3.651 1.00 0.00 H new ATOM 162 N GLU A 11 -4.043 1.601 -9.006 1.00 0.00 N ATOM 163 CA GLU A 11 -3.412 1.740 -10.320 1.00 0.00 C ATOM 164 C GLU A 11 -2.807 3.137 -10.504 1.00 0.00 C ATOM 165 O GLU A 11 -1.830 3.302 -11.235 1.00 0.00 O ATOM 166 CB GLU A 11 -4.423 1.451 -11.438 1.00 0.00 C ATOM 167 CG GLU A 11 -5.658 2.343 -11.407 1.00 0.00 C ATOM 168 CD GLU A 11 -6.276 2.534 -12.778 1.00 0.00 C ATOM 169 OE1 GLU A 11 -5.662 3.226 -13.617 1.00 0.00 O ATOM 170 OE2 GLU A 11 -7.376 1.991 -13.013 1.00 0.00 O ATOM 0 H GLU A 11 -5.041 1.394 -9.039 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.604 1.010 -10.377 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.927 1.569 -12.401 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.738 0.410 -11.368 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.399 1.908 -10.736 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.388 3.316 -10.996 1.00 0.00 H new ATOM 177 N ASP A 12 -3.388 4.137 -9.835 1.00 0.00 N ATOM 178 CA ASP A 12 -2.899 5.513 -9.925 1.00 0.00 C ATOM 179 C ASP A 12 -1.992 5.860 -8.736 1.00 0.00 C ATOM 180 O ASP A 12 -2.016 6.985 -8.233 1.00 0.00 O ATOM 181 CB ASP A 12 -4.084 6.486 -9.992 1.00 0.00 C ATOM 182 CG ASP A 12 -4.499 6.823 -11.417 1.00 0.00 C ATOM 183 OD1 ASP A 12 -4.147 6.061 -12.345 1.00 0.00 O ATOM 184 OD2 ASP A 12 -5.185 7.848 -11.604 1.00 0.00 O ATOM 0 H ASP A 12 -4.197 4.018 -9.226 1.00 0.00 H new ATOM 0 HA ASP A 12 -2.307 5.605 -10.835 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.934 6.051 -9.465 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.822 7.406 -9.469 1.00 0.00 H new ATOM 189 N MET A 13 -1.190 4.888 -8.294 1.00 0.00 N ATOM 190 CA MET A 13 -0.277 5.089 -7.168 1.00 0.00 C ATOM 191 C MET A 13 1.129 4.596 -7.506 1.00 0.00 C ATOM 192 O MET A 13 1.292 3.554 -8.141 1.00 0.00 O ATOM 193 CB MET A 13 -0.800 4.357 -5.929 1.00 0.00 C ATOM 194 CG MET A 13 -1.674 5.219 -5.036 1.00 0.00 C ATOM 195 SD MET A 13 -2.753 4.238 -3.974 1.00 0.00 S ATOM 196 CE MET A 13 -2.945 5.332 -2.569 1.00 0.00 C ATOM 0 H MET A 13 -1.155 3.953 -8.700 1.00 0.00 H new ATOM 0 HA MET A 13 -0.226 6.158 -6.961 1.00 0.00 H new ATOM 0 HB2 MET A 13 -1.370 3.484 -6.247 1.00 0.00 H new ATOM 0 HB3 MET A 13 0.047 3.991 -5.349 1.00 0.00 H new ATOM 0 HG2 MET A 13 -1.041 5.855 -4.417 1.00 0.00 H new ATOM 0 HG3 MET A 13 -2.281 5.879 -5.655 1.00 0.00 H new ATOM 0 HE1 MET A 13 -2.900 4.752 -1.647 1.00 0.00 H new ATOM 0 HE2 MET A 13 -2.144 6.072 -2.572 1.00 0.00 H new ATOM 0 HE3 MET A 13 -3.908 5.839 -2.632 1.00 0.00 H new ATOM 206 N THR A 14 2.145 5.351 -7.072 1.00 0.00 N ATOM 207 CA THR A 14 3.542 4.988 -7.326 1.00 0.00 C ATOM 208 C THR A 14 3.930 3.724 -6.562 1.00 0.00 C ATOM 209 O THR A 14 3.454 3.490 -5.450 1.00 0.00 O ATOM 210 CB THR A 14 4.486 6.133 -6.934 1.00 0.00 C ATOM 211 OG1 THR A 14 3.920 7.393 -7.256 1.00 0.00 O ATOM 212 CG2 THR A 14 5.841 6.053 -7.610 1.00 0.00 C ATOM 0 H THR A 14 2.025 6.216 -6.544 1.00 0.00 H new ATOM 0 HA THR A 14 3.639 4.797 -8.395 1.00 0.00 H new ATOM 0 HB THR A 14 4.626 6.029 -5.858 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.539 8.106 -6.995 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.458 6.892 -7.289 1.00 0.00 H new ATOM 0 HG22 THR A 14 6.329 5.118 -7.337 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.711 6.092 -8.692 1.00 0.00 H new ATOM 220 N PHE A 15 4.802 2.917 -7.165 1.00 0.00 N ATOM 221 CA PHE A 15 5.266 1.674 -6.544 1.00 0.00 C ATOM 222 C PHE A 15 6.725 1.788 -6.105 1.00 0.00 C ATOM 223 O PHE A 15 7.475 2.621 -6.617 1.00 0.00 O ATOM 224 CB PHE A 15 5.110 0.492 -7.514 1.00 0.00 C ATOM 225 CG PHE A 15 5.512 0.800 -8.935 1.00 0.00 C ATOM 226 CD1 PHE A 15 6.823 1.130 -9.248 1.00 0.00 C ATOM 227 CD2 PHE A 15 4.575 0.763 -9.957 1.00 0.00 C ATOM 228 CE1 PHE A 15 7.190 1.416 -10.550 1.00 0.00 C ATOM 229 CE2 PHE A 15 4.937 1.048 -11.260 1.00 0.00 C ATOM 230 CZ PHE A 15 6.245 1.375 -11.557 1.00 0.00 C ATOM 0 H PHE A 15 5.203 3.101 -8.085 1.00 0.00 H new ATOM 0 HA PHE A 15 4.650 1.497 -5.663 1.00 0.00 H new ATOM 0 HB2 PHE A 15 5.710 -0.342 -7.151 1.00 0.00 H new ATOM 0 HB3 PHE A 15 4.070 0.164 -7.505 1.00 0.00 H new ATOM 0 HD1 PHE A 15 7.566 1.164 -8.465 1.00 0.00 H new ATOM 0 HD2 PHE A 15 3.550 0.508 -9.732 1.00 0.00 H new ATOM 0 HE1 PHE A 15 8.214 1.671 -10.780 1.00 0.00 H new ATOM 0 HE2 PHE A 15 4.197 1.015 -12.046 1.00 0.00 H new ATOM 0 HZ PHE A 15 6.529 1.598 -12.575 1.00 0.00 H new ATOM 240 N GLU A 16 7.120 0.939 -5.157 1.00 0.00 N ATOM 241 CA GLU A 16 8.488 0.932 -4.648 1.00 0.00 C ATOM 242 C GLU A 16 9.010 -0.503 -4.526 1.00 0.00 C ATOM 243 O GLU A 16 9.075 -1.058 -3.427 1.00 0.00 O ATOM 244 CB GLU A 16 8.551 1.639 -3.290 1.00 0.00 C ATOM 245 CG GLU A 16 9.823 2.442 -3.077 1.00 0.00 C ATOM 246 CD GLU A 16 9.598 3.935 -3.210 1.00 0.00 C ATOM 247 OE1 GLU A 16 9.224 4.571 -2.203 1.00 0.00 O ATOM 248 OE2 GLU A 16 9.792 4.468 -4.323 1.00 0.00 O ATOM 0 H GLU A 16 6.509 0.246 -4.726 1.00 0.00 H new ATOM 0 HA GLU A 16 9.122 1.469 -5.353 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.692 2.304 -3.197 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.465 0.894 -2.499 1.00 0.00 H new ATOM 0 HG2 GLU A 16 10.224 2.225 -2.087 1.00 0.00 H new ATOM 0 HG3 GLU A 16 10.574 2.125 -3.801 1.00 0.00 H new ATOM 255 N PRO A 17 9.392 -1.125 -5.664 1.00 0.00 N ATOM 256 CA PRO A 17 9.912 -2.504 -5.689 1.00 0.00 C ATOM 257 C PRO A 17 11.095 -2.718 -4.741 1.00 0.00 C ATOM 258 O PRO A 17 11.342 -3.840 -4.299 1.00 0.00 O ATOM 259 CB PRO A 17 10.356 -2.692 -7.143 1.00 0.00 C ATOM 260 CG PRO A 17 9.531 -1.725 -7.917 1.00 0.00 C ATOM 261 CD PRO A 17 9.344 -0.536 -7.017 1.00 0.00 C ATOM 0 HA PRO A 17 9.159 -3.218 -5.357 1.00 0.00 H new ATOM 0 HB2 PRO A 17 11.420 -2.489 -7.262 1.00 0.00 H new ATOM 0 HB3 PRO A 17 10.187 -3.715 -7.480 1.00 0.00 H new ATOM 0 HG2 PRO A 17 10.029 -1.440 -8.844 1.00 0.00 H new ATOM 0 HG3 PRO A 17 8.571 -2.162 -8.192 1.00 0.00 H new ATOM 0 HD2 PRO A 17 10.130 0.206 -7.161 1.00 0.00 H new ATOM 0 HD3 PRO A 17 8.394 -0.035 -7.204 1.00 0.00 H new ATOM 269 N GLU A 18 11.821 -1.637 -4.433 1.00 0.00 N ATOM 270 CA GLU A 18 12.977 -1.706 -3.536 1.00 0.00 C ATOM 271 C GLU A 18 12.611 -2.376 -2.205 1.00 0.00 C ATOM 272 O GLU A 18 13.374 -3.193 -1.687 1.00 0.00 O ATOM 273 CB GLU A 18 13.545 -0.299 -3.282 1.00 0.00 C ATOM 274 CG GLU A 18 12.566 0.649 -2.594 1.00 0.00 C ATOM 275 CD GLU A 18 12.972 2.110 -2.699 1.00 0.00 C ATOM 276 OE1 GLU A 18 13.211 2.583 -3.830 1.00 0.00 O ATOM 277 OE2 GLU A 18 13.044 2.781 -1.647 1.00 0.00 O ATOM 0 H GLU A 18 11.627 -0.703 -4.793 1.00 0.00 H new ATOM 0 HA GLU A 18 13.740 -2.314 -4.023 1.00 0.00 H new ATOM 0 HB2 GLU A 18 14.443 -0.385 -2.670 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.849 0.137 -4.234 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.577 0.521 -3.034 1.00 0.00 H new ATOM 0 HG3 GLU A 18 12.485 0.376 -1.542 1.00 0.00 H new ATOM 284 N ASN A 19 11.446 -2.020 -1.656 1.00 0.00 N ATOM 285 CA ASN A 19 10.988 -2.585 -0.385 1.00 0.00 C ATOM 286 C ASN A 19 9.518 -3.043 -0.448 1.00 0.00 C ATOM 287 O ASN A 19 8.896 -3.279 0.590 1.00 0.00 O ATOM 288 CB ASN A 19 11.173 -1.557 0.737 1.00 0.00 C ATOM 289 CG ASN A 19 12.511 -1.700 1.439 1.00 0.00 C ATOM 290 OD1 ASN A 19 12.590 -2.234 2.545 1.00 0.00 O ATOM 291 ND2 ASN A 19 13.573 -1.221 0.798 1.00 0.00 N ATOM 0 H ASN A 19 10.804 -1.344 -2.071 1.00 0.00 H new ATOM 0 HA ASN A 19 11.593 -3.468 -0.179 1.00 0.00 H new ATOM 0 HB2 ASN A 19 11.089 -0.552 0.323 1.00 0.00 H new ATOM 0 HB3 ASN A 19 10.370 -1.670 1.465 1.00 0.00 H new ATOM 0 HD21 ASN A 19 14.498 -1.289 1.222 1.00 0.00 H new ATOM 0 HD22 ASN A 19 13.462 -0.786 -0.118 1.00 0.00 H new ATOM 298 N GLN A 20 8.972 -3.178 -1.666 1.00 0.00 N ATOM 299 CA GLN A 20 7.583 -3.618 -1.867 1.00 0.00 C ATOM 300 C GLN A 20 6.583 -2.722 -1.121 1.00 0.00 C ATOM 301 O GLN A 20 6.029 -3.115 -0.092 1.00 0.00 O ATOM 302 CB GLN A 20 7.411 -5.080 -1.426 1.00 0.00 C ATOM 303 CG GLN A 20 8.370 -6.051 -2.107 1.00 0.00 C ATOM 304 CD GLN A 20 8.128 -7.496 -1.706 1.00 0.00 C ATOM 305 OE1 GLN A 20 7.968 -8.368 -2.557 1.00 0.00 O ATOM 306 NE2 GLN A 20 8.100 -7.757 -0.402 1.00 0.00 N ATOM 0 H GLN A 20 9.476 -2.987 -2.532 1.00 0.00 H new ATOM 0 HA GLN A 20 7.370 -3.537 -2.933 1.00 0.00 H new ATOM 0 HB2 GLN A 20 7.553 -5.142 -0.347 1.00 0.00 H new ATOM 0 HB3 GLN A 20 6.387 -5.393 -1.631 1.00 0.00 H new ATOM 0 HG2 GLN A 20 8.268 -5.957 -3.188 1.00 0.00 H new ATOM 0 HG3 GLN A 20 9.395 -5.777 -1.858 1.00 0.00 H new ATOM 0 HE21 GLN A 20 8.237 -7.004 0.272 1.00 0.00 H new ATOM 0 HE22 GLN A 20 7.941 -8.710 -0.076 1.00 0.00 H new ATOM 315 N MET A 21 6.344 -1.522 -1.658 1.00 0.00 N ATOM 316 CA MET A 21 5.396 -0.577 -1.053 1.00 0.00 C ATOM 317 C MET A 21 4.989 0.514 -2.047 1.00 0.00 C ATOM 318 O MET A 21 5.781 0.911 -2.898 1.00 0.00 O ATOM 319 CB MET A 21 5.994 0.063 0.204 1.00 0.00 C ATOM 320 CG MET A 21 7.291 0.819 -0.038 1.00 0.00 C ATOM 321 SD MET A 21 7.664 1.990 1.283 1.00 0.00 S ATOM 322 CE MET A 21 9.361 1.557 1.651 1.00 0.00 C ATOM 0 H MET A 21 6.792 -1.181 -2.509 1.00 0.00 H new ATOM 0 HA MET A 21 4.505 -1.140 -0.775 1.00 0.00 H new ATOM 0 HB2 MET A 21 5.262 0.748 0.633 1.00 0.00 H new ATOM 0 HB3 MET A 21 6.174 -0.716 0.945 1.00 0.00 H new ATOM 0 HG2 MET A 21 8.111 0.107 -0.130 1.00 0.00 H new ATOM 0 HG3 MET A 21 7.225 1.354 -0.985 1.00 0.00 H new ATOM 0 HE1 MET A 21 9.734 2.196 2.451 1.00 0.00 H new ATOM 0 HE2 MET A 21 9.410 0.515 1.966 1.00 0.00 H new ATOM 0 HE3 MET A 21 9.973 1.696 0.760 1.00 0.00 H new ATOM 332 N PHE A 22 3.750 1.002 -1.932 1.00 0.00 N ATOM 333 CA PHE A 22 3.257 2.054 -2.826 1.00 0.00 C ATOM 334 C PHE A 22 3.205 3.402 -2.108 1.00 0.00 C ATOM 335 O PHE A 22 2.825 3.477 -0.938 1.00 0.00 O ATOM 336 CB PHE A 22 1.872 1.697 -3.377 1.00 0.00 C ATOM 337 CG PHE A 22 1.909 0.754 -4.551 1.00 0.00 C ATOM 338 CD1 PHE A 22 2.524 -0.484 -4.446 1.00 0.00 C ATOM 339 CD2 PHE A 22 1.323 1.106 -5.757 1.00 0.00 C ATOM 340 CE1 PHE A 22 2.555 -1.352 -5.520 1.00 0.00 C ATOM 341 CE2 PHE A 22 1.350 0.241 -6.835 1.00 0.00 C ATOM 342 CZ PHE A 22 1.966 -0.989 -6.716 1.00 0.00 C ATOM 0 H PHE A 22 3.075 0.688 -1.235 1.00 0.00 H new ATOM 0 HA PHE A 22 3.954 2.133 -3.660 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.279 1.247 -2.580 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.363 2.613 -3.675 1.00 0.00 H new ATOM 0 HD1 PHE A 22 2.985 -0.773 -3.513 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.840 2.067 -5.855 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.039 -2.313 -5.425 1.00 0.00 H new ATOM 0 HE2 PHE A 22 0.890 0.527 -7.769 1.00 0.00 H new ATOM 0 HZ PHE A 22 1.987 -1.667 -7.557 1.00 0.00 H new ATOM 352 N THR A 23 3.601 4.463 -2.815 1.00 0.00 N ATOM 353 CA THR A 23 3.613 5.813 -2.248 1.00 0.00 C ATOM 354 C THR A 23 2.962 6.827 -3.194 1.00 0.00 C ATOM 355 O THR A 23 2.874 6.598 -4.401 1.00 0.00 O ATOM 356 CB THR A 23 5.054 6.241 -1.942 1.00 0.00 C ATOM 357 OG1 THR A 23 5.847 6.212 -3.117 1.00 0.00 O ATOM 358 CG2 THR A 23 5.735 5.370 -0.906 1.00 0.00 C ATOM 0 H THR A 23 3.918 4.413 -3.783 1.00 0.00 H new ATOM 0 HA THR A 23 3.033 5.791 -1.325 1.00 0.00 H new ATOM 0 HB THR A 23 4.974 7.252 -1.544 1.00 0.00 H new ATOM 0 HG1 THR A 23 6.762 6.490 -2.901 1.00 0.00 H new ATOM 0 HG21 THR A 23 6.750 5.730 -0.739 1.00 0.00 H new ATOM 0 HG22 THR A 23 5.176 5.412 0.029 1.00 0.00 H new ATOM 0 HG23 THR A 23 5.769 4.340 -1.262 1.00 0.00 H new ATOM 366 N TYR A 24 2.513 7.955 -2.634 1.00 0.00 N ATOM 367 CA TYR A 24 1.877 9.013 -3.422 1.00 0.00 C ATOM 368 C TYR A 24 1.846 10.331 -2.643 1.00 0.00 C ATOM 369 O TYR A 24 1.530 10.344 -1.454 1.00 0.00 O ATOM 370 CB TYR A 24 0.449 8.606 -3.813 1.00 0.00 C ATOM 371 CG TYR A 24 -0.269 9.636 -4.664 1.00 0.00 C ATOM 372 CD1 TYR A 24 -0.888 10.735 -4.081 1.00 0.00 C ATOM 373 CD2 TYR A 24 -0.322 9.509 -6.047 1.00 0.00 C ATOM 374 CE1 TYR A 24 -1.539 11.679 -4.852 1.00 0.00 C ATOM 375 CE2 TYR A 24 -0.972 10.448 -6.824 1.00 0.00 C ATOM 376 CZ TYR A 24 -1.578 11.531 -6.222 1.00 0.00 C ATOM 377 OH TYR A 24 -2.224 12.470 -6.993 1.00 0.00 O ATOM 0 H TYR A 24 2.579 8.158 -1.637 1.00 0.00 H new ATOM 0 HA TYR A 24 2.467 9.158 -4.327 1.00 0.00 H new ATOM 0 HB2 TYR A 24 0.486 7.662 -4.356 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -0.130 8.430 -2.906 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -0.860 10.853 -3.008 1.00 0.00 H new ATOM 0 HD2 TYR A 24 0.152 8.663 -6.522 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -2.015 12.528 -4.384 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -1.006 10.335 -7.898 1.00 0.00 H new ATOM 0 HH TYR A 24 -2.158 12.219 -7.938 1.00 0.00 H new ATOM 387 N PRO A 25 2.169 11.462 -3.305 1.00 0.00 N ATOM 388 CA PRO A 25 2.167 12.782 -2.659 1.00 0.00 C ATOM 389 C PRO A 25 0.765 13.222 -2.243 1.00 0.00 C ATOM 390 O PRO A 25 -0.019 13.695 -3.068 1.00 0.00 O ATOM 391 CB PRO A 25 2.729 13.714 -3.739 1.00 0.00 C ATOM 392 CG PRO A 25 2.443 13.019 -5.025 1.00 0.00 C ATOM 393 CD PRO A 25 2.551 11.549 -4.729 1.00 0.00 C ATOM 0 HA PRO A 25 2.749 12.784 -1.737 1.00 0.00 H new ATOM 0 HB2 PRO A 25 2.252 14.694 -3.704 1.00 0.00 H new ATOM 0 HB3 PRO A 25 3.799 13.875 -3.605 1.00 0.00 H new ATOM 0 HG2 PRO A 25 1.449 13.272 -5.393 1.00 0.00 H new ATOM 0 HG3 PRO A 25 3.154 13.316 -5.796 1.00 0.00 H new ATOM 0 HD2 PRO A 25 1.885 10.961 -5.361 1.00 0.00 H new ATOM 0 HD3 PRO A 25 3.562 11.177 -4.898 1.00 0.00 H new ATOM 401 N CYS A 26 0.456 13.061 -0.957 1.00 0.00 N ATOM 402 CA CYS A 26 -0.849 13.443 -0.425 1.00 0.00 C ATOM 403 C CYS A 26 -1.121 14.926 -0.666 1.00 0.00 C ATOM 404 O CYS A 26 -0.224 15.758 -0.516 1.00 0.00 O ATOM 405 CB CYS A 26 -0.923 13.140 1.075 1.00 0.00 C ATOM 406 SG CYS A 26 -2.553 13.460 1.826 1.00 0.00 S ATOM 0 H CYS A 26 1.093 12.668 -0.264 1.00 0.00 H new ATOM 0 HA CYS A 26 -1.609 12.860 -0.945 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.661 12.094 1.236 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -0.174 13.739 1.592 1.00 0.00 H new ATOM 0 HG CYS A 26 -2.577 12.977 3.033 1.00 0.00 H new ATOM 411 N PRO A 27 -2.369 15.275 -1.042 1.00 0.00 N ATOM 412 CA PRO A 27 -2.763 16.666 -1.302 1.00 0.00 C ATOM 413 C PRO A 27 -2.413 17.613 -0.151 1.00 0.00 C ATOM 414 O PRO A 27 -2.216 18.809 -0.369 1.00 0.00 O ATOM 415 CB PRO A 27 -4.281 16.579 -1.478 1.00 0.00 C ATOM 416 CG PRO A 27 -4.525 15.186 -1.939 1.00 0.00 C ATOM 417 CD PRO A 27 -3.494 14.340 -1.245 1.00 0.00 C ATOM 0 HA PRO A 27 -2.238 17.075 -2.165 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -4.801 16.784 -0.542 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -4.638 17.306 -2.207 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -5.534 14.861 -1.685 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -4.429 15.110 -3.022 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -3.866 13.947 -0.299 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -3.201 13.484 -1.852 1.00 0.00 H new ATOM 425 N CYS A 28 -2.335 17.078 1.072 1.00 0.00 N ATOM 426 CA CYS A 28 -2.006 17.889 2.245 1.00 0.00 C ATOM 427 C CYS A 28 -0.555 18.382 2.195 1.00 0.00 C ATOM 428 O CYS A 28 -0.266 19.515 2.585 1.00 0.00 O ATOM 429 CB CYS A 28 -2.250 17.094 3.534 1.00 0.00 C ATOM 430 SG CYS A 28 -0.817 16.127 4.113 1.00 0.00 S ATOM 0 H CYS A 28 -2.495 16.091 1.273 1.00 0.00 H new ATOM 0 HA CYS A 28 -2.659 18.761 2.238 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -2.546 17.787 4.322 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -3.088 16.416 3.374 1.00 0.00 H new ATOM 0 HG CYS A 28 -0.216 16.772 5.068 1.00 0.00 H new ATOM 435 N GLY A 29 0.352 17.525 1.718 1.00 0.00 N ATOM 436 CA GLY A 29 1.757 17.896 1.634 1.00 0.00 C ATOM 437 C GLY A 29 2.695 16.704 1.756 1.00 0.00 C ATOM 438 O GLY A 29 3.649 16.580 0.987 1.00 0.00 O ATOM 0 H GLY A 29 0.138 16.583 1.390 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.938 18.398 0.684 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.985 18.613 2.422 1.00 0.00 H new ATOM 442 N ASP A 30 2.427 15.828 2.725 1.00 0.00 N ATOM 443 CA ASP A 30 3.254 14.640 2.951 1.00 0.00 C ATOM 444 C ASP A 30 3.039 13.597 1.845 1.00 0.00 C ATOM 445 O ASP A 30 2.280 13.830 0.904 1.00 0.00 O ATOM 446 CB ASP A 30 2.928 14.037 4.322 1.00 0.00 C ATOM 447 CG ASP A 30 4.138 13.435 5.013 1.00 0.00 C ATOM 448 OD1 ASP A 30 5.208 14.082 5.020 1.00 0.00 O ATOM 449 OD2 ASP A 30 4.014 12.316 5.554 1.00 0.00 O ATOM 0 H ASP A 30 1.641 15.919 3.369 1.00 0.00 H new ATOM 0 HA ASP A 30 4.302 14.939 2.928 1.00 0.00 H new ATOM 0 HB2 ASP A 30 2.501 14.811 4.960 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.166 13.267 4.201 1.00 0.00 H new ATOM 454 N ARG A 31 3.713 12.449 1.960 1.00 0.00 N ATOM 455 CA ARG A 31 3.591 11.382 0.966 1.00 0.00 C ATOM 456 C ARG A 31 3.042 10.102 1.593 1.00 0.00 C ATOM 457 O ARG A 31 3.594 9.594 2.572 1.00 0.00 O ATOM 458 CB ARG A 31 4.947 11.105 0.311 1.00 0.00 C ATOM 459 CG ARG A 31 4.843 10.718 -1.158 1.00 0.00 C ATOM 460 CD ARG A 31 6.159 10.175 -1.705 1.00 0.00 C ATOM 461 NE ARG A 31 7.271 11.109 -1.519 1.00 0.00 N ATOM 462 CZ ARG A 31 8.502 10.914 -2.002 1.00 0.00 C ATOM 463 NH1 ARG A 31 8.785 9.833 -2.725 1.00 0.00 N ATOM 464 NH2 ARG A 31 9.455 11.808 -1.765 1.00 0.00 N ATOM 0 H ARG A 31 4.347 12.236 2.730 1.00 0.00 H new ATOM 0 HA ARG A 31 2.888 11.716 0.203 1.00 0.00 H new ATOM 0 HB2 ARG A 31 5.574 11.992 0.402 1.00 0.00 H new ATOM 0 HB3 ARG A 31 5.448 10.304 0.855 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.063 9.966 -1.280 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.541 11.588 -1.741 1.00 0.00 H new ATOM 0 HD2 ARG A 31 6.393 9.233 -1.210 1.00 0.00 H new ATOM 0 HD3 ARG A 31 6.045 9.957 -2.767 1.00 0.00 H new ATOM 0 HE ARG A 31 7.095 11.962 -0.988 1.00 0.00 H new ATOM 0 HH11 ARG A 31 8.059 9.143 -2.916 1.00 0.00 H new ATOM 0 HH12 ARG A 31 9.728 9.695 -3.088 1.00 0.00 H new ATOM 0 HH21 ARG A 31 9.247 12.642 -1.215 1.00 0.00 H new ATOM 0 HH22 ARG A 31 10.395 11.661 -2.133 1.00 0.00 H new ATOM 478 N PHE A 32 1.955 9.584 1.017 1.00 0.00 N ATOM 479 CA PHE A 32 1.321 8.361 1.506 1.00 0.00 C ATOM 480 C PHE A 32 2.246 7.156 1.346 1.00 0.00 C ATOM 481 O PHE A 32 3.124 7.147 0.481 1.00 0.00 O ATOM 482 CB PHE A 32 0.005 8.111 0.760 1.00 0.00 C ATOM 483 CG PHE A 32 -1.107 7.600 1.637 1.00 0.00 C ATOM 484 CD1 PHE A 32 -1.430 8.249 2.820 1.00 0.00 C ATOM 485 CD2 PHE A 32 -1.830 6.473 1.278 1.00 0.00 C ATOM 486 CE1 PHE A 32 -2.451 7.783 3.624 1.00 0.00 C ATOM 487 CE2 PHE A 32 -2.852 6.003 2.080 1.00 0.00 C ATOM 488 CZ PHE A 32 -3.163 6.659 3.255 1.00 0.00 C ATOM 0 H PHE A 32 1.494 9.997 0.206 1.00 0.00 H new ATOM 0 HA PHE A 32 1.113 8.493 2.568 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.316 9.040 0.288 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.183 7.392 -0.040 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.877 9.128 3.115 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -1.591 5.956 0.360 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -2.693 8.298 4.542 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -3.407 5.124 1.789 1.00 0.00 H new ATOM 0 HZ PHE A 32 -3.961 6.294 3.884 1.00 0.00 H new ATOM 498 N GLN A 33 2.043 6.141 2.187 1.00 0.00 N ATOM 499 CA GLN A 33 2.858 4.928 2.144 1.00 0.00 C ATOM 500 C GLN A 33 2.064 3.709 2.615 1.00 0.00 C ATOM 501 O GLN A 33 1.355 3.771 3.622 1.00 0.00 O ATOM 502 CB GLN A 33 4.110 5.100 3.015 1.00 0.00 C ATOM 503 CG GLN A 33 3.807 5.508 4.451 1.00 0.00 C ATOM 504 CD GLN A 33 5.029 5.468 5.352 1.00 0.00 C ATOM 505 OE1 GLN A 33 6.003 4.770 5.070 1.00 0.00 O ATOM 506 NE2 GLN A 33 4.983 6.218 6.449 1.00 0.00 N ATOM 0 H GLN A 33 1.320 6.136 2.907 1.00 0.00 H new ATOM 0 HA GLN A 33 3.157 4.763 1.109 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.667 4.163 3.023 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.756 5.852 2.562 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.392 6.516 4.456 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.042 4.846 4.857 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.157 6.783 6.647 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.774 6.229 7.093 1.00 0.00 H new ATOM 515 N ILE A 34 2.194 2.598 1.887 1.00 0.00 N ATOM 516 CA ILE A 34 1.498 1.361 2.238 1.00 0.00 C ATOM 517 C ILE A 34 2.304 0.132 1.812 1.00 0.00 C ATOM 518 O ILE A 34 2.833 0.078 0.700 1.00 0.00 O ATOM 519 CB ILE A 34 0.085 1.297 1.608 1.00 0.00 C ATOM 520 CG1 ILE A 34 -0.661 0.048 2.092 1.00 0.00 C ATOM 521 CG2 ILE A 34 0.165 1.320 0.086 1.00 0.00 C ATOM 522 CD1 ILE A 34 -2.136 0.282 2.336 1.00 0.00 C ATOM 0 H ILE A 34 2.775 2.531 1.051 1.00 0.00 H new ATOM 0 HA ILE A 34 1.392 1.359 3.323 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.471 2.178 1.929 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.544 -0.744 1.353 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.200 -0.306 3.014 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.841 1.274 -0.332 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.651 2.240 -0.239 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.742 0.463 -0.261 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.600 -0.644 2.676 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.261 1.052 3.097 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.611 0.607 1.410 1.00 0.00 H new ATOM 534 N TYR A 35 2.391 -0.854 2.706 1.00 0.00 N ATOM 535 CA TYR A 35 3.129 -2.083 2.428 1.00 0.00 C ATOM 536 C TYR A 35 2.245 -3.095 1.705 1.00 0.00 C ATOM 537 O TYR A 35 1.061 -3.233 2.017 1.00 0.00 O ATOM 538 CB TYR A 35 3.664 -2.695 3.728 1.00 0.00 C ATOM 539 CG TYR A 35 5.084 -3.206 3.621 1.00 0.00 C ATOM 540 CD1 TYR A 35 5.405 -4.244 2.755 1.00 0.00 C ATOM 541 CD2 TYR A 35 6.104 -2.647 4.381 1.00 0.00 C ATOM 542 CE1 TYR A 35 6.700 -4.710 2.649 1.00 0.00 C ATOM 543 CE2 TYR A 35 7.402 -3.109 4.282 1.00 0.00 C ATOM 544 CZ TYR A 35 7.695 -4.140 3.413 1.00 0.00 C ATOM 545 OH TYR A 35 8.988 -4.600 3.307 1.00 0.00 O ATOM 0 H TYR A 35 1.958 -0.824 3.629 1.00 0.00 H new ATOM 0 HA TYR A 35 3.970 -1.831 1.783 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.615 -1.946 4.518 1.00 0.00 H new ATOM 0 HB3 TYR A 35 3.013 -3.517 4.027 1.00 0.00 H new ATOM 0 HD1 TYR A 35 4.628 -4.694 2.155 1.00 0.00 H new ATOM 0 HD2 TYR A 35 5.878 -1.838 5.060 1.00 0.00 H new ATOM 0 HE1 TYR A 35 6.932 -5.518 1.970 1.00 0.00 H new ATOM 0 HE2 TYR A 35 8.183 -2.666 4.882 1.00 0.00 H new ATOM 0 HH TYR A 35 9.364 -4.323 2.445 1.00 0.00 H new ATOM 555 N LEU A 36 2.830 -3.806 0.740 1.00 0.00 N ATOM 556 CA LEU A 36 2.099 -4.813 -0.026 1.00 0.00 C ATOM 557 C LEU A 36 1.516 -5.879 0.902 1.00 0.00 C ATOM 558 O LEU A 36 0.331 -6.205 0.818 1.00 0.00 O ATOM 559 CB LEU A 36 3.022 -5.459 -1.069 1.00 0.00 C ATOM 560 CG LEU A 36 3.082 -4.740 -2.423 1.00 0.00 C ATOM 561 CD1 LEU A 36 3.476 -3.280 -2.240 1.00 0.00 C ATOM 562 CD2 LEU A 36 4.056 -5.444 -3.361 1.00 0.00 C ATOM 0 H LEU A 36 3.808 -3.702 0.471 1.00 0.00 H new ATOM 0 HA LEU A 36 1.275 -4.322 -0.543 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.030 -5.509 -0.657 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.694 -6.485 -1.235 1.00 0.00 H new ATOM 0 HG LEU A 36 2.089 -4.772 -2.871 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.513 -2.788 -3.212 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.741 -2.781 -1.609 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.457 -3.224 -1.768 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.085 -4.919 -4.316 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.052 -5.445 -2.917 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.729 -6.471 -3.521 1.00 0.00 H new ATOM 574 N ASP A 37 2.352 -6.410 1.797 1.00 0.00 N ATOM 575 CA ASP A 37 1.916 -7.431 2.750 1.00 0.00 C ATOM 576 C ASP A 37 0.756 -6.925 3.613 1.00 0.00 C ATOM 577 O ASP A 37 -0.179 -7.672 3.903 1.00 0.00 O ATOM 578 CB ASP A 37 3.084 -7.862 3.643 1.00 0.00 C ATOM 579 CG ASP A 37 2.811 -9.169 4.364 1.00 0.00 C ATOM 580 OD1 ASP A 37 2.849 -10.230 3.707 1.00 0.00 O ATOM 581 OD2 ASP A 37 2.558 -9.130 5.587 1.00 0.00 O ATOM 0 H ASP A 37 3.335 -6.149 1.881 1.00 0.00 H new ATOM 0 HA ASP A 37 1.567 -8.292 2.180 1.00 0.00 H new ATOM 0 HB2 ASP A 37 3.983 -7.967 3.035 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.284 -7.081 4.376 1.00 0.00 H new ATOM 586 N ASP A 38 0.822 -5.652 4.017 1.00 0.00 N ATOM 587 CA ASP A 38 -0.227 -5.049 4.843 1.00 0.00 C ATOM 588 C ASP A 38 -1.581 -5.120 4.139 1.00 0.00 C ATOM 589 O ASP A 38 -2.583 -5.507 4.741 1.00 0.00 O ATOM 590 CB ASP A 38 0.113 -3.588 5.167 1.00 0.00 C ATOM 591 CG ASP A 38 0.910 -3.441 6.450 1.00 0.00 C ATOM 592 OD1 ASP A 38 0.316 -3.583 7.539 1.00 0.00 O ATOM 593 OD2 ASP A 38 2.128 -3.177 6.365 1.00 0.00 O ATOM 0 H ASP A 38 1.589 -5.021 3.786 1.00 0.00 H new ATOM 0 HA ASP A 38 -0.286 -5.614 5.773 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.681 -3.160 4.341 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.810 -3.015 5.250 1.00 0.00 H new ATOM 598 N MET A 39 -1.602 -4.749 2.858 1.00 0.00 N ATOM 599 CA MET A 39 -2.832 -4.777 2.069 1.00 0.00 C ATOM 600 C MET A 39 -3.407 -6.195 2.006 1.00 0.00 C ATOM 601 O MET A 39 -4.624 -6.377 2.010 1.00 0.00 O ATOM 602 CB MET A 39 -2.573 -4.248 0.654 1.00 0.00 C ATOM 603 CG MET A 39 -2.114 -2.796 0.617 1.00 0.00 C ATOM 604 SD MET A 39 -2.519 -1.975 -0.937 1.00 0.00 S ATOM 605 CE MET A 39 -0.891 -1.784 -1.660 1.00 0.00 C ATOM 0 H MET A 39 -0.781 -4.426 2.346 1.00 0.00 H new ATOM 0 HA MET A 39 -3.562 -4.131 2.557 1.00 0.00 H new ATOM 0 HB2 MET A 39 -1.817 -4.871 0.176 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.486 -4.346 0.066 1.00 0.00 H new ATOM 0 HG2 MET A 39 -2.576 -2.252 1.441 1.00 0.00 H new ATOM 0 HG3 MET A 39 -1.036 -2.756 0.774 1.00 0.00 H new ATOM 0 HE1 MET A 39 -0.899 -0.946 -2.357 1.00 0.00 H new ATOM 0 HE2 MET A 39 -0.163 -1.594 -0.872 1.00 0.00 H new ATOM 0 HE3 MET A 39 -0.620 -2.696 -2.192 1.00 0.00 H new ATOM 615 N PHE A 40 -2.521 -7.195 1.959 1.00 0.00 N ATOM 616 CA PHE A 40 -2.940 -8.598 1.907 1.00 0.00 C ATOM 617 C PHE A 40 -3.870 -8.935 3.077 1.00 0.00 C ATOM 618 O PHE A 40 -4.881 -9.614 2.895 1.00 0.00 O ATOM 619 CB PHE A 40 -1.717 -9.523 1.931 1.00 0.00 C ATOM 620 CG PHE A 40 -1.822 -10.711 1.008 1.00 0.00 C ATOM 621 CD1 PHE A 40 -2.941 -11.533 1.026 1.00 0.00 C ATOM 622 CD2 PHE A 40 -0.794 -11.010 0.126 1.00 0.00 C ATOM 623 CE1 PHE A 40 -3.030 -12.624 0.182 1.00 0.00 C ATOM 624 CE2 PHE A 40 -0.879 -12.100 -0.719 1.00 0.00 C ATOM 625 CZ PHE A 40 -1.998 -12.908 -0.692 1.00 0.00 C ATOM 0 H PHE A 40 -1.510 -7.058 1.956 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.485 -8.752 0.975 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -0.833 -8.945 1.662 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -1.566 -9.881 2.950 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -3.751 -11.317 1.707 1.00 0.00 H new ATOM 0 HD2 PHE A 40 0.085 -10.382 0.099 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -3.906 -13.255 0.206 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -0.070 -12.320 -1.400 1.00 0.00 H new ATOM 0 HZ PHE A 40 -2.067 -13.760 -1.352 1.00 0.00 H new ATOM 635 N GLU A 41 -3.525 -8.452 4.275 1.00 0.00 N ATOM 636 CA GLU A 41 -4.336 -8.700 5.470 1.00 0.00 C ATOM 637 C GLU A 41 -5.745 -8.134 5.297 1.00 0.00 C ATOM 638 O GLU A 41 -6.734 -8.818 5.563 1.00 0.00 O ATOM 639 CB GLU A 41 -3.677 -8.084 6.711 1.00 0.00 C ATOM 640 CG GLU A 41 -2.702 -9.017 7.415 1.00 0.00 C ATOM 641 CD GLU A 41 -2.752 -8.892 8.927 1.00 0.00 C ATOM 642 OE1 GLU A 41 -3.828 -9.147 9.511 1.00 0.00 O ATOM 643 OE2 GLU A 41 -1.715 -8.544 9.529 1.00 0.00 O ATOM 0 H GLU A 41 -2.691 -7.888 4.442 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.406 -9.779 5.607 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.150 -7.176 6.418 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.455 -7.788 7.415 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.924 -10.046 7.133 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.690 -8.803 7.071 1.00 0.00 H new ATOM 650 N GLY A 42 -5.826 -6.881 4.845 1.00 0.00 N ATOM 651 CA GLY A 42 -7.115 -6.243 4.638 1.00 0.00 C ATOM 652 C GLY A 42 -7.064 -4.738 4.847 1.00 0.00 C ATOM 653 O GLY A 42 -7.832 -4.193 5.641 1.00 0.00 O ATOM 0 H GLY A 42 -5.020 -6.298 4.619 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.462 -6.454 3.626 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.845 -6.676 5.322 1.00 0.00 H new ATOM 657 N GLU A 43 -6.160 -4.067 4.132 1.00 0.00 N ATOM 658 CA GLU A 43 -6.012 -2.616 4.242 1.00 0.00 C ATOM 659 C GLU A 43 -6.731 -1.902 3.096 1.00 0.00 C ATOM 660 O GLU A 43 -6.179 -1.746 2.005 1.00 0.00 O ATOM 661 CB GLU A 43 -4.530 -2.233 4.248 1.00 0.00 C ATOM 662 CG GLU A 43 -4.204 -1.062 5.160 1.00 0.00 C ATOM 663 CD GLU A 43 -4.081 -1.472 6.615 1.00 0.00 C ATOM 664 OE1 GLU A 43 -3.040 -2.057 6.981 1.00 0.00 O ATOM 665 OE2 GLU A 43 -5.027 -1.208 7.387 1.00 0.00 O ATOM 0 H GLU A 43 -5.519 -4.506 3.471 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.467 -2.301 5.181 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.942 -3.097 4.557 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.224 -1.986 3.231 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.270 -0.603 4.836 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.982 -0.304 5.064 1.00 0.00 H new ATOM 672 N LYS A 44 -7.964 -1.466 3.354 1.00 0.00 N ATOM 673 CA LYS A 44 -8.762 -0.762 2.349 1.00 0.00 C ATOM 674 C LYS A 44 -8.831 0.737 2.652 1.00 0.00 C ATOM 675 O LYS A 44 -8.812 1.563 1.737 1.00 0.00 O ATOM 676 CB LYS A 44 -10.179 -1.342 2.287 1.00 0.00 C ATOM 677 CG LYS A 44 -10.301 -2.565 1.390 1.00 0.00 C ATOM 678 CD LYS A 44 -11.549 -3.374 1.710 1.00 0.00 C ATOM 679 CE LYS A 44 -11.228 -4.573 2.591 1.00 0.00 C ATOM 680 NZ LYS A 44 -12.183 -5.696 2.377 1.00 0.00 N ATOM 0 H LYS A 44 -8.433 -1.588 4.252 1.00 0.00 H new ATOM 0 HA LYS A 44 -8.276 -0.899 1.383 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.497 -1.608 3.295 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -10.862 -0.571 1.930 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.329 -2.250 0.347 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.419 -3.194 1.510 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -12.277 -2.737 2.212 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -12.010 -3.716 0.783 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -10.214 -4.915 2.382 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -11.253 -4.270 3.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -11.928 -6.491 2.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -13.148 -5.379 2.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -12.141 -6.003 1.384 1.00 0.00 H new ATOM 694 N VAL A 45 -8.906 1.079 3.941 1.00 0.00 N ATOM 695 CA VAL A 45 -8.972 2.477 4.361 1.00 0.00 C ATOM 696 C VAL A 45 -7.763 2.845 5.220 1.00 0.00 C ATOM 697 O VAL A 45 -7.616 2.369 6.348 1.00 0.00 O ATOM 698 CB VAL A 45 -10.286 2.795 5.121 1.00 0.00 C ATOM 699 CG1 VAL A 45 -10.421 1.954 6.385 1.00 0.00 C ATOM 700 CG2 VAL A 45 -10.372 4.282 5.447 1.00 0.00 C ATOM 0 H VAL A 45 -8.922 0.407 4.708 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.959 3.082 3.455 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.118 2.536 4.466 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.354 2.204 6.891 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.425 0.897 6.120 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -9.582 2.159 7.050 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -11.301 4.484 5.980 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -9.526 4.567 6.072 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -10.351 4.859 4.522 1.00 0.00 H new ATOM 710 N ALA A 46 -6.894 3.690 4.667 1.00 0.00 N ATOM 711 CA ALA A 46 -5.687 4.125 5.363 1.00 0.00 C ATOM 712 C ALA A 46 -5.778 5.598 5.768 1.00 0.00 C ATOM 713 O ALA A 46 -6.685 6.313 5.336 1.00 0.00 O ATOM 714 CB ALA A 46 -4.469 3.876 4.486 1.00 0.00 C ATOM 0 H ALA A 46 -7.006 4.088 3.734 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.587 3.543 6.279 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.571 4.202 5.010 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.393 2.812 4.263 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.570 4.435 3.556 1.00 0.00 H new ATOM 720 N VAL A 47 -4.839 6.043 6.608 1.00 0.00 N ATOM 721 CA VAL A 47 -4.823 7.427 7.082 1.00 0.00 C ATOM 722 C VAL A 47 -3.438 8.063 6.930 1.00 0.00 C ATOM 723 O VAL A 47 -2.417 7.416 7.171 1.00 0.00 O ATOM 724 CB VAL A 47 -5.273 7.508 8.562 1.00 0.00 C ATOM 725 CG1 VAL A 47 -4.322 6.735 9.468 1.00 0.00 C ATOM 726 CG2 VAL A 47 -5.393 8.956 9.018 1.00 0.00 C ATOM 0 H VAL A 47 -4.082 5.465 6.972 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.525 7.984 6.462 1.00 0.00 H new ATOM 0 HB VAL A 47 -6.258 7.047 8.635 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.662 6.809 10.501 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.303 5.688 9.167 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.319 7.154 9.385 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.710 8.984 10.060 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -4.426 9.450 8.920 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.128 9.472 8.401 1.00 0.00 H new ATOM 736 N CYS A 48 -3.415 9.338 6.531 1.00 0.00 N ATOM 737 CA CYS A 48 -2.159 10.068 6.350 1.00 0.00 C ATOM 738 C CYS A 48 -1.576 10.485 7.700 1.00 0.00 C ATOM 739 O CYS A 48 -2.304 10.952 8.578 1.00 0.00 O ATOM 740 CB CYS A 48 -2.384 11.306 5.473 1.00 0.00 C ATOM 741 SG CYS A 48 -0.902 12.342 5.234 1.00 0.00 S ATOM 0 H CYS A 48 -4.252 9.885 6.328 1.00 0.00 H new ATOM 0 HA CYS A 48 -1.449 9.406 5.854 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.748 10.983 4.497 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -3.169 11.915 5.921 1.00 0.00 H new ATOM 0 HG CYS A 48 -1.262 13.540 4.882 1.00 0.00 H new ATOM 746 N PRO A 49 -0.249 10.327 7.886 1.00 0.00 N ATOM 747 CA PRO A 49 0.428 10.693 9.133 1.00 0.00 C ATOM 748 C PRO A 49 0.782 12.186 9.214 1.00 0.00 C ATOM 749 O PRO A 49 1.656 12.581 9.990 1.00 0.00 O ATOM 750 CB PRO A 49 1.691 9.835 9.089 1.00 0.00 C ATOM 751 CG PRO A 49 2.010 9.708 7.636 1.00 0.00 C ATOM 752 CD PRO A 49 0.697 9.776 6.894 1.00 0.00 C ATOM 0 HA PRO A 49 -0.201 10.524 10.007 1.00 0.00 H new ATOM 0 HB2 PRO A 49 2.509 10.305 9.635 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.523 8.859 9.545 1.00 0.00 H new ATOM 0 HG2 PRO A 49 2.677 10.508 7.315 1.00 0.00 H new ATOM 0 HG3 PRO A 49 2.521 8.767 7.433 1.00 0.00 H new ATOM 0 HD2 PRO A 49 0.769 10.415 6.014 1.00 0.00 H new ATOM 0 HD3 PRO A 49 0.383 8.791 6.548 1.00 0.00 H new ATOM 760 N SER A 50 0.096 13.009 8.417 1.00 0.00 N ATOM 761 CA SER A 50 0.327 14.450 8.404 1.00 0.00 C ATOM 762 C SER A 50 -0.993 15.203 8.564 1.00 0.00 C ATOM 763 O SER A 50 -1.151 16.002 9.490 1.00 0.00 O ATOM 764 CB SER A 50 1.024 14.871 7.106 1.00 0.00 C ATOM 765 OG SER A 50 1.908 15.958 7.331 1.00 0.00 O ATOM 0 H SER A 50 -0.628 12.696 7.770 1.00 0.00 H new ATOM 0 HA SER A 50 0.976 14.701 9.243 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.578 14.026 6.696 1.00 0.00 H new ATOM 0 HB3 SER A 50 0.277 15.153 6.363 1.00 0.00 H new ATOM 0 HG SER A 50 2.094 16.410 6.481 1.00 0.00 H new ATOM 771 N CYS A 51 -1.944 14.936 7.664 1.00 0.00 N ATOM 772 CA CYS A 51 -3.259 15.583 7.713 1.00 0.00 C ATOM 773 C CYS A 51 -4.294 14.714 8.438 1.00 0.00 C ATOM 774 O CYS A 51 -5.289 15.228 8.957 1.00 0.00 O ATOM 775 CB CYS A 51 -3.750 15.905 6.298 1.00 0.00 C ATOM 776 SG CYS A 51 -4.157 14.443 5.289 1.00 0.00 S ATOM 0 H CYS A 51 -1.828 14.277 6.894 1.00 0.00 H new ATOM 0 HA CYS A 51 -3.144 16.510 8.276 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -4.634 16.539 6.369 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -2.983 16.484 5.784 1.00 0.00 H new ATOM 0 HG CYS A 51 -3.416 14.433 4.221 1.00 0.00 H new ATOM 781 N SER A 52 -4.060 13.397 8.464 1.00 0.00 N ATOM 782 CA SER A 52 -4.969 12.453 9.115 1.00 0.00 C ATOM 783 C SER A 52 -6.289 12.326 8.344 1.00 0.00 C ATOM 784 O SER A 52 -7.364 12.236 8.942 1.00 0.00 O ATOM 785 CB SER A 52 -5.238 12.875 10.565 1.00 0.00 C ATOM 786 OG SER A 52 -5.454 11.746 11.394 1.00 0.00 O ATOM 0 H SER A 52 -3.242 12.961 8.038 1.00 0.00 H new ATOM 0 HA SER A 52 -4.485 11.476 9.118 1.00 0.00 H new ATOM 0 HB2 SER A 52 -4.393 13.450 10.942 1.00 0.00 H new ATOM 0 HB3 SER A 52 -6.110 13.528 10.601 1.00 0.00 H new ATOM 0 HG SER A 52 -5.622 12.042 12.313 1.00 0.00 H new ATOM 792 N LEU A 53 -6.200 12.309 7.012 1.00 0.00 N ATOM 793 CA LEU A 53 -7.383 12.184 6.163 1.00 0.00 C ATOM 794 C LEU A 53 -7.572 10.736 5.714 1.00 0.00 C ATOM 795 O LEU A 53 -6.645 10.115 5.190 1.00 0.00 O ATOM 796 CB LEU A 53 -7.267 13.107 4.944 1.00 0.00 C ATOM 797 CG LEU A 53 -7.432 14.602 5.237 1.00 0.00 C ATOM 798 CD1 LEU A 53 -7.005 15.429 4.033 1.00 0.00 C ATOM 799 CD2 LEU A 53 -8.869 14.927 5.625 1.00 0.00 C ATOM 0 H LEU A 53 -5.321 12.380 6.500 1.00 0.00 H new ATOM 0 HA LEU A 53 -8.255 12.482 6.745 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -6.293 12.950 4.481 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -8.019 12.812 4.212 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.789 14.856 6.080 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -7.128 16.489 4.257 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.959 15.226 3.805 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.622 15.166 3.174 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -8.959 15.994 5.828 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -9.537 14.656 4.807 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -9.141 14.364 6.518 1.00 0.00 H new ATOM 811 N MET A 54 -8.775 10.201 5.930 1.00 0.00 N ATOM 812 CA MET A 54 -9.085 8.822 5.554 1.00 0.00 C ATOM 813 C MET A 54 -9.456 8.729 4.075 1.00 0.00 C ATOM 814 O MET A 54 -10.208 9.560 3.561 1.00 0.00 O ATOM 815 CB MET A 54 -10.227 8.266 6.414 1.00 0.00 C ATOM 816 CG MET A 54 -9.968 8.345 7.911 1.00 0.00 C ATOM 817 SD MET A 54 -11.230 7.493 8.877 1.00 0.00 S ATOM 818 CE MET A 54 -10.235 6.275 9.733 1.00 0.00 C ATOM 0 H MET A 54 -9.550 10.702 6.364 1.00 0.00 H new ATOM 0 HA MET A 54 -8.191 8.223 5.727 1.00 0.00 H new ATOM 0 HB2 MET A 54 -11.141 8.814 6.184 1.00 0.00 H new ATOM 0 HB3 MET A 54 -10.401 7.225 6.140 1.00 0.00 H new ATOM 0 HG2 MET A 54 -8.993 7.911 8.131 1.00 0.00 H new ATOM 0 HG3 MET A 54 -9.927 9.391 8.215 1.00 0.00 H new ATOM 0 HE1 MET A 54 -10.875 5.667 10.373 1.00 0.00 H new ATOM 0 HE2 MET A 54 -9.737 5.635 9.005 1.00 0.00 H new ATOM 0 HE3 MET A 54 -9.486 6.780 10.343 1.00 0.00 H new ATOM 828 N ILE A 55 -8.919 7.713 3.395 1.00 0.00 N ATOM 829 CA ILE A 55 -9.185 7.511 1.970 1.00 0.00 C ATOM 830 C ILE A 55 -9.450 6.042 1.642 1.00 0.00 C ATOM 831 O ILE A 55 -8.953 5.142 2.324 1.00 0.00 O ATOM 832 CB ILE A 55 -8.009 8.002 1.097 1.00 0.00 C ATOM 833 CG1 ILE A 55 -6.677 7.451 1.623 1.00 0.00 C ATOM 834 CG2 ILE A 55 -7.980 9.523 1.043 1.00 0.00 C ATOM 835 CD1 ILE A 55 -5.568 7.446 0.591 1.00 0.00 C ATOM 0 H ILE A 55 -8.298 7.018 3.809 1.00 0.00 H new ATOM 0 HA ILE A 55 -10.077 8.096 1.745 1.00 0.00 H new ATOM 0 HB ILE A 55 -8.155 7.628 0.084 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.361 8.046 2.480 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -6.832 6.433 1.982 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -7.145 9.849 0.423 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -8.913 9.890 0.616 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -7.861 9.921 2.051 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.658 7.043 1.036 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.862 6.827 -0.256 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.384 8.465 0.249 1.00 0.00 H new ATOM 847 N ASP A 56 -10.225 5.811 0.580 1.00 0.00 N ATOM 848 CA ASP A 56 -10.553 4.457 0.136 1.00 0.00 C ATOM 849 C ASP A 56 -9.716 4.077 -1.083 1.00 0.00 C ATOM 850 O ASP A 56 -9.935 4.597 -2.179 1.00 0.00 O ATOM 851 CB ASP A 56 -12.043 4.339 -0.210 1.00 0.00 C ATOM 852 CG ASP A 56 -12.941 4.991 0.824 1.00 0.00 C ATOM 853 OD1 ASP A 56 -13.136 4.393 1.903 1.00 0.00 O ATOM 854 OD2 ASP A 56 -13.448 6.099 0.554 1.00 0.00 O ATOM 0 H ASP A 56 -10.638 6.549 0.010 1.00 0.00 H new ATOM 0 HA ASP A 56 -10.327 3.774 0.955 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -12.223 4.798 -1.182 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -12.308 3.286 -0.302 1.00 0.00 H new ATOM 859 N VAL A 57 -8.761 3.169 -0.888 1.00 0.00 N ATOM 860 CA VAL A 57 -7.898 2.720 -1.981 1.00 0.00 C ATOM 861 C VAL A 57 -8.203 1.277 -2.373 1.00 0.00 C ATOM 862 O VAL A 57 -7.967 0.348 -1.596 1.00 0.00 O ATOM 863 CB VAL A 57 -6.394 2.844 -1.640 1.00 0.00 C ATOM 864 CG1 VAL A 57 -5.851 4.181 -2.119 1.00 0.00 C ATOM 865 CG2 VAL A 57 -6.140 2.659 -0.148 1.00 0.00 C ATOM 0 H VAL A 57 -8.565 2.731 0.012 1.00 0.00 H new ATOM 0 HA VAL A 57 -8.114 3.380 -2.821 1.00 0.00 H new ATOM 0 HB VAL A 57 -5.866 2.046 -2.162 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.792 4.253 -1.872 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.978 4.259 -3.199 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.394 4.990 -1.630 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.073 2.753 0.054 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -6.683 3.421 0.411 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -6.482 1.671 0.160 1.00 0.00 H new ATOM 875 N VAL A 58 -8.727 1.096 -3.587 1.00 0.00 N ATOM 876 CA VAL A 58 -9.061 -0.235 -4.085 1.00 0.00 C ATOM 877 C VAL A 58 -7.817 -0.935 -4.641 1.00 0.00 C ATOM 878 O VAL A 58 -7.505 -0.840 -5.830 1.00 0.00 O ATOM 879 CB VAL A 58 -10.186 -0.182 -5.154 1.00 0.00 C ATOM 880 CG1 VAL A 58 -9.784 0.669 -6.354 1.00 0.00 C ATOM 881 CG2 VAL A 58 -10.578 -1.586 -5.592 1.00 0.00 C ATOM 0 H VAL A 58 -8.928 1.853 -4.240 1.00 0.00 H new ATOM 0 HA VAL A 58 -9.436 -0.815 -3.242 1.00 0.00 H new ATOM 0 HB VAL A 58 -11.054 0.292 -4.695 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -10.597 0.682 -7.080 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -9.576 1.687 -6.025 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -8.891 0.247 -6.816 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -11.368 -1.526 -6.341 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -9.710 -2.090 -6.018 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -10.937 -2.149 -4.730 1.00 0.00 H new ATOM 891 N PHE A 59 -7.103 -1.631 -3.755 1.00 0.00 N ATOM 892 CA PHE A 59 -5.885 -2.346 -4.131 1.00 0.00 C ATOM 893 C PHE A 59 -6.213 -3.687 -4.794 1.00 0.00 C ATOM 894 O PHE A 59 -7.282 -4.255 -4.563 1.00 0.00 O ATOM 895 CB PHE A 59 -4.993 -2.565 -2.901 1.00 0.00 C ATOM 896 CG PHE A 59 -5.573 -3.505 -1.875 1.00 0.00 C ATOM 897 CD1 PHE A 59 -6.415 -3.033 -0.879 1.00 0.00 C ATOM 898 CD2 PHE A 59 -5.273 -4.859 -1.906 1.00 0.00 C ATOM 899 CE1 PHE A 59 -6.947 -3.893 0.063 1.00 0.00 C ATOM 900 CE2 PHE A 59 -5.802 -5.722 -0.966 1.00 0.00 C ATOM 901 CZ PHE A 59 -6.640 -5.238 0.020 1.00 0.00 C ATOM 0 H PHE A 59 -7.349 -1.714 -2.769 1.00 0.00 H new ATOM 0 HA PHE A 59 -5.346 -1.734 -4.854 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -4.029 -2.954 -3.230 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.803 -1.602 -2.428 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -6.658 -1.981 -0.839 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.618 -5.243 -2.674 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -7.603 -3.513 0.832 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.561 -6.774 -1.002 1.00 0.00 H new ATOM 0 HZ PHE A 59 -7.054 -5.911 0.756 1.00 0.00 H new ATOM 911 N ASP A 60 -5.290 -4.188 -5.616 1.00 0.00 N ATOM 912 CA ASP A 60 -5.489 -5.460 -6.310 1.00 0.00 C ATOM 913 C ASP A 60 -4.685 -6.582 -5.657 1.00 0.00 C ATOM 914 O ASP A 60 -3.582 -6.360 -5.154 1.00 0.00 O ATOM 915 CB ASP A 60 -5.095 -5.330 -7.784 1.00 0.00 C ATOM 916 CG ASP A 60 -6.229 -4.802 -8.643 1.00 0.00 C ATOM 917 OD1 ASP A 60 -7.235 -5.524 -8.808 1.00 0.00 O ATOM 918 OD2 ASP A 60 -6.108 -3.668 -9.150 1.00 0.00 O ATOM 0 H ASP A 60 -4.399 -3.733 -5.817 1.00 0.00 H new ATOM 0 HA ASP A 60 -6.547 -5.713 -6.240 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.237 -4.663 -7.870 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.781 -6.304 -8.160 1.00 0.00 H new ATOM 923 N LYS A 61 -5.246 -7.792 -5.676 1.00 0.00 N ATOM 924 CA LYS A 61 -4.586 -8.960 -5.094 1.00 0.00 C ATOM 925 C LYS A 61 -3.674 -9.636 -6.118 1.00 0.00 C ATOM 926 O LYS A 61 -2.569 -10.069 -5.784 1.00 0.00 O ATOM 927 CB LYS A 61 -5.626 -9.956 -4.576 1.00 0.00 C ATOM 928 CG LYS A 61 -5.101 -10.869 -3.479 1.00 0.00 C ATOM 929 CD LYS A 61 -5.730 -12.252 -3.554 1.00 0.00 C ATOM 930 CE LYS A 61 -5.538 -13.028 -2.258 1.00 0.00 C ATOM 931 NZ LYS A 61 -6.719 -12.915 -1.355 1.00 0.00 N ATOM 0 H LYS A 61 -6.158 -7.988 -6.089 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.973 -8.623 -4.258 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.487 -9.405 -4.198 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.978 -10.566 -5.408 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -4.018 -10.956 -3.564 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.309 -10.426 -2.505 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.795 -12.157 -3.767 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.288 -12.809 -4.381 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -5.358 -14.078 -2.488 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -4.652 -12.658 -1.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -6.544 -13.458 -0.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -6.877 -11.916 -1.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.561 -13.292 -1.836 1.00 0.00 H new ATOM 945 N GLU A 62 -4.144 -9.717 -7.369 1.00 0.00 N ATOM 946 CA GLU A 62 -3.370 -10.328 -8.451 1.00 0.00 C ATOM 947 C GLU A 62 -2.011 -9.638 -8.588 1.00 0.00 C ATOM 948 O GLU A 62 -0.979 -10.299 -8.718 1.00 0.00 O ATOM 949 CB GLU A 62 -4.144 -10.242 -9.774 1.00 0.00 C ATOM 950 CG GLU A 62 -3.483 -10.983 -10.930 1.00 0.00 C ATOM 951 CD GLU A 62 -3.903 -10.457 -12.293 1.00 0.00 C ATOM 952 OE1 GLU A 62 -5.103 -10.158 -12.476 1.00 0.00 O ATOM 953 OE2 GLU A 62 -3.032 -10.348 -13.182 1.00 0.00 O ATOM 0 H GLU A 62 -5.058 -9.366 -7.655 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.205 -11.378 -8.210 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.146 -10.645 -9.624 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.260 -9.193 -10.047 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.400 -10.902 -10.834 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.731 -12.042 -10.864 1.00 0.00 H new ATOM 960 N ASP A 63 -2.024 -8.303 -8.543 1.00 0.00 N ATOM 961 CA ASP A 63 -0.798 -7.512 -8.647 1.00 0.00 C ATOM 962 C ASP A 63 0.139 -7.805 -7.474 1.00 0.00 C ATOM 963 O ASP A 63 1.333 -8.017 -7.669 1.00 0.00 O ATOM 964 CB ASP A 63 -1.117 -6.010 -8.689 1.00 0.00 C ATOM 965 CG ASP A 63 -1.893 -5.594 -9.927 1.00 0.00 C ATOM 966 OD1 ASP A 63 -1.634 -6.156 -11.013 1.00 0.00 O ATOM 967 OD2 ASP A 63 -2.756 -4.700 -9.811 1.00 0.00 O ATOM 0 H ASP A 63 -2.873 -7.748 -8.435 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.302 -7.793 -9.576 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -1.691 -5.743 -7.802 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.185 -5.447 -8.647 1.00 0.00 H new ATOM 972 N LEU A 64 -0.412 -7.816 -6.254 1.00 0.00 N ATOM 973 CA LEU A 64 0.382 -8.085 -5.051 1.00 0.00 C ATOM 974 C LEU A 64 1.165 -9.393 -5.182 1.00 0.00 C ATOM 975 O LEU A 64 2.353 -9.444 -4.864 1.00 0.00 O ATOM 976 CB LEU A 64 -0.514 -8.139 -3.808 1.00 0.00 C ATOM 977 CG LEU A 64 0.052 -7.442 -2.569 1.00 0.00 C ATOM 978 CD1 LEU A 64 -1.070 -7.065 -1.613 1.00 0.00 C ATOM 979 CD2 LEU A 64 1.075 -8.333 -1.876 1.00 0.00 C ATOM 0 H LEU A 64 -1.401 -7.642 -6.075 1.00 0.00 H new ATOM 0 HA LEU A 64 1.093 -7.267 -4.941 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.475 -7.687 -4.052 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.706 -9.184 -3.562 1.00 0.00 H new ATOM 0 HG LEU A 64 0.555 -6.528 -2.884 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.651 -6.570 -0.737 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.763 -6.390 -2.114 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.601 -7.965 -1.302 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.467 -7.821 -0.997 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.599 -9.265 -1.571 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.892 -8.551 -2.563 1.00 0.00 H new ATOM 991 N ALA A 65 0.491 -10.446 -5.654 1.00 0.00 N ATOM 992 CA ALA A 65 1.129 -11.751 -5.828 1.00 0.00 C ATOM 993 C ALA A 65 2.333 -11.652 -6.762 1.00 0.00 C ATOM 994 O ALA A 65 3.429 -12.099 -6.423 1.00 0.00 O ATOM 995 CB ALA A 65 0.128 -12.770 -6.359 1.00 0.00 C ATOM 0 H ALA A 65 -0.493 -10.419 -5.921 1.00 0.00 H new ATOM 0 HA ALA A 65 1.482 -12.085 -4.852 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.621 -13.734 -6.482 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -0.697 -12.871 -5.654 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -0.257 -12.434 -7.322 1.00 0.00 H new ATOM 1001 N GLU A 66 2.120 -11.058 -7.936 1.00 0.00 N ATOM 1002 CA GLU A 66 3.190 -10.894 -8.920 1.00 0.00 C ATOM 1003 C GLU A 66 4.254 -9.923 -8.411 1.00 0.00 C ATOM 1004 O GLU A 66 5.447 -10.204 -8.499 1.00 0.00 O ATOM 1005 CB GLU A 66 2.617 -10.404 -10.254 1.00 0.00 C ATOM 1006 CG GLU A 66 1.650 -11.391 -10.896 1.00 0.00 C ATOM 1007 CD GLU A 66 0.948 -10.838 -12.125 1.00 0.00 C ATOM 1008 OE1 GLU A 66 1.567 -10.045 -12.867 1.00 0.00 O ATOM 1009 OE2 GLU A 66 -0.225 -11.206 -12.348 1.00 0.00 O ATOM 0 H GLU A 66 1.218 -10.683 -8.229 1.00 0.00 H new ATOM 0 HA GLU A 66 3.661 -11.865 -9.076 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.104 -9.456 -10.094 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.438 -10.210 -10.944 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.195 -12.293 -11.174 1.00 0.00 H new ATOM 0 HG3 GLU A 66 0.901 -11.685 -10.161 1.00 0.00 H new ATOM 1016 N TYR A 67 3.810 -8.784 -7.872 1.00 0.00 N ATOM 1017 CA TYR A 67 4.723 -7.771 -7.339 1.00 0.00 C ATOM 1018 C TYR A 67 5.686 -8.366 -6.308 1.00 0.00 C ATOM 1019 O TYR A 67 6.821 -7.912 -6.188 1.00 0.00 O ATOM 1020 CB TYR A 67 3.941 -6.617 -6.703 1.00 0.00 C ATOM 1021 CG TYR A 67 3.580 -5.504 -7.670 1.00 0.00 C ATOM 1022 CD1 TYR A 67 4.543 -4.920 -8.488 1.00 0.00 C ATOM 1023 CD2 TYR A 67 2.275 -5.032 -7.757 1.00 0.00 C ATOM 1024 CE1 TYR A 67 4.214 -3.900 -9.363 1.00 0.00 C ATOM 1025 CE2 TYR A 67 1.940 -4.015 -8.630 1.00 0.00 C ATOM 1026 CZ TYR A 67 2.911 -3.452 -9.430 1.00 0.00 C ATOM 1027 OH TYR A 67 2.580 -2.438 -10.301 1.00 0.00 O ATOM 0 H TYR A 67 2.823 -8.541 -7.794 1.00 0.00 H new ATOM 0 HA TYR A 67 5.307 -7.392 -8.177 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.025 -7.012 -6.263 1.00 0.00 H new ATOM 0 HB3 TYR A 67 4.531 -6.198 -5.888 1.00 0.00 H new ATOM 0 HD1 TYR A 67 5.564 -5.269 -8.439 1.00 0.00 H new ATOM 0 HD2 TYR A 67 1.510 -5.468 -7.131 1.00 0.00 H new ATOM 0 HE1 TYR A 67 4.973 -3.457 -9.990 1.00 0.00 H new ATOM 0 HE2 TYR A 67 0.921 -3.662 -8.685 1.00 0.00 H new ATOM 0 HH TYR A 67 1.623 -2.242 -10.226 1.00 0.00 H new ATOM 1037 N TYR A 68 5.233 -9.381 -5.565 1.00 0.00 N ATOM 1038 CA TYR A 68 6.075 -10.020 -4.553 1.00 0.00 C ATOM 1039 C TYR A 68 7.343 -10.596 -5.186 1.00 0.00 C ATOM 1040 O TYR A 68 8.450 -10.359 -4.702 1.00 0.00 O ATOM 1041 CB TYR A 68 5.302 -11.127 -3.827 1.00 0.00 C ATOM 1042 CG TYR A 68 5.624 -11.235 -2.349 1.00 0.00 C ATOM 1043 CD1 TYR A 68 5.240 -10.238 -1.459 1.00 0.00 C ATOM 1044 CD2 TYR A 68 6.308 -12.335 -1.843 1.00 0.00 C ATOM 1045 CE1 TYR A 68 5.528 -10.334 -0.110 1.00 0.00 C ATOM 1046 CE2 TYR A 68 6.598 -12.438 -0.494 1.00 0.00 C ATOM 1047 CZ TYR A 68 6.207 -11.435 0.367 1.00 0.00 C ATOM 1048 OH TYR A 68 6.494 -11.534 1.710 1.00 0.00 O ATOM 0 H TYR A 68 4.295 -9.774 -5.645 1.00 0.00 H new ATOM 0 HA TYR A 68 6.363 -9.260 -3.827 1.00 0.00 H new ATOM 0 HB2 TYR A 68 4.233 -10.947 -3.944 1.00 0.00 H new ATOM 0 HB3 TYR A 68 5.518 -12.082 -4.306 1.00 0.00 H new ATOM 0 HD1 TYR A 68 4.708 -9.374 -1.828 1.00 0.00 H new ATOM 0 HD2 TYR A 68 6.618 -13.122 -2.514 1.00 0.00 H new ATOM 0 HE1 TYR A 68 5.222 -9.550 0.567 1.00 0.00 H new ATOM 0 HE2 TYR A 68 7.128 -13.300 -0.117 1.00 0.00 H new ATOM 0 HH TYR A 68 6.975 -12.370 1.881 1.00 0.00 H new ATOM 1058 N GLU A 69 7.170 -11.350 -6.271 1.00 0.00 N ATOM 1059 CA GLU A 69 8.298 -11.959 -6.976 1.00 0.00 C ATOM 1060 C GLU A 69 8.928 -10.970 -7.962 1.00 0.00 C ATOM 1061 O GLU A 69 10.145 -10.965 -8.153 1.00 0.00 O ATOM 1062 CB GLU A 69 7.845 -13.228 -7.709 1.00 0.00 C ATOM 1063 CG GLU A 69 7.192 -14.263 -6.798 1.00 0.00 C ATOM 1064 CD GLU A 69 6.429 -15.335 -7.559 1.00 0.00 C ATOM 1065 OE1 GLU A 69 6.946 -15.821 -8.588 1.00 0.00 O ATOM 1066 OE2 GLU A 69 5.315 -15.692 -7.121 1.00 0.00 O ATOM 0 H GLU A 69 6.259 -11.554 -6.681 1.00 0.00 H new ATOM 0 HA GLU A 69 9.054 -12.229 -6.238 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.141 -12.952 -8.494 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.707 -13.681 -8.199 1.00 0.00 H new ATOM 0 HG2 GLU A 69 7.961 -14.737 -6.188 1.00 0.00 H new ATOM 0 HG3 GLU A 69 6.510 -13.757 -6.114 1.00 0.00 H new ATOM 1073 N GLU A 70 8.093 -10.134 -8.579 1.00 0.00 N ATOM 1074 CA GLU A 70 8.564 -9.136 -9.541 1.00 0.00 C ATOM 1075 C GLU A 70 9.426 -8.063 -8.867 1.00 0.00 C ATOM 1076 O GLU A 70 10.319 -7.497 -9.497 1.00 0.00 O ATOM 1077 CB GLU A 70 7.376 -8.471 -10.245 1.00 0.00 C ATOM 1078 CG GLU A 70 6.731 -9.335 -11.318 1.00 0.00 C ATOM 1079 CD GLU A 70 7.132 -8.918 -12.720 1.00 0.00 C ATOM 1080 OE1 GLU A 70 6.573 -7.922 -13.227 1.00 0.00 O ATOM 1081 OE2 GLU A 70 8.007 -9.585 -13.311 1.00 0.00 O ATOM 0 H GLU A 70 7.084 -10.128 -8.430 1.00 0.00 H new ATOM 0 HA GLU A 70 9.179 -9.657 -10.275 1.00 0.00 H new ATOM 0 HB2 GLU A 70 6.623 -8.213 -9.500 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.711 -7.537 -10.697 1.00 0.00 H new ATOM 0 HG2 GLU A 70 7.011 -10.376 -11.158 1.00 0.00 H new ATOM 0 HG3 GLU A 70 5.647 -9.278 -11.222 1.00 0.00 H new ATOM 1088 N ALA A 71 9.149 -7.776 -7.590 1.00 0.00 N ATOM 1089 CA ALA A 71 9.900 -6.760 -6.849 1.00 0.00 C ATOM 1090 C ALA A 71 11.377 -7.128 -6.710 1.00 0.00 C ATOM 1091 O ALA A 71 11.775 -8.265 -6.973 1.00 0.00 O ATOM 1092 CB ALA A 71 9.281 -6.541 -5.477 1.00 0.00 C ATOM 0 H ALA A 71 8.413 -8.232 -7.051 1.00 0.00 H new ATOM 0 HA ALA A 71 9.845 -5.833 -7.420 1.00 0.00 H new ATOM 0 HB1 ALA A 71 9.850 -5.783 -4.938 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.250 -6.207 -5.592 1.00 0.00 H new ATOM 0 HB3 ALA A 71 9.299 -7.476 -4.916 1.00 0.00 H new