USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 434 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 Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.107 X(o=-0.11,f=-0.27) USER MOD Single : A 21 MET CE :methyl 156:sc= -0.12 (180deg=-0.588) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 104:sc= 0.0373 USER MOD Single : A 50 ASN : amide:sc= -1.04! C(o=-1!,f=-1.1!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N GLY A 8 -7.149 4.949 -6.181 1.00 0.00 N ATOM 67 CA GLY A 8 -6.795 4.601 -4.817 1.00 0.00 C ATOM 68 C GLY A 8 -5.394 4.031 -4.709 1.00 0.00 C ATOM 69 O GLY A 8 -5.179 2.842 -4.949 1.00 0.00 O ATOM 0 HA2 GLY A 8 -6.873 5.487 -4.187 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -7.510 3.874 -4.433 1.00 0.00 H new ATOM 73 N THR A 9 -4.437 4.880 -4.349 1.00 0.00 N ATOM 74 CA THR A 9 -3.050 4.455 -4.213 1.00 0.00 C ATOM 75 C THR A 9 -2.396 5.094 -2.992 1.00 0.00 C ATOM 76 O THR A 9 -2.734 6.213 -2.610 1.00 0.00 O ATOM 77 CB THR A 9 -2.228 4.811 -5.466 1.00 0.00 C ATOM 78 OG1 THR A 9 -2.340 6.211 -5.744 1.00 0.00 O ATOM 79 CG2 THR A 9 -2.701 4.010 -6.669 1.00 0.00 C ATOM 0 H THR A 9 -4.597 5.867 -4.146 1.00 0.00 H new ATOM 0 HA THR A 9 -3.062 3.372 -4.091 1.00 0.00 H new ATOM 0 HB THR A 9 -1.185 4.562 -5.272 1.00 0.00 H new ATOM 0 HG1 THR A 9 -1.813 6.429 -6.541 1.00 0.00 H new ATOM 0 HG21 THR A 9 -2.106 4.279 -7.542 1.00 0.00 H new ATOM 0 HG22 THR A 9 -2.586 2.945 -6.465 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.750 4.231 -6.864 1.00 0.00 H new ATOM 87 N ALA A 10 -1.459 4.374 -2.385 1.00 0.00 N ATOM 88 CA ALA A 10 -0.756 4.872 -1.209 1.00 0.00 C ATOM 89 C ALA A 10 0.738 4.578 -1.296 1.00 0.00 C ATOM 90 O ALA A 10 1.180 3.809 -2.149 1.00 0.00 O ATOM 91 CB ALA A 10 -1.343 4.261 0.055 1.00 0.00 C ATOM 0 H ALA A 10 -1.169 3.444 -2.688 1.00 0.00 H new ATOM 0 HA ALA A 10 -0.885 5.954 -1.171 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.808 4.642 0.925 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.397 4.527 0.132 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -1.244 3.176 0.015 1.00 0.00 H new ATOM 97 N VAL A 11 1.511 5.197 -0.409 1.00 0.00 N ATOM 98 CA VAL A 11 2.956 5.001 -0.386 1.00 0.00 C ATOM 99 C VAL A 11 3.427 4.548 0.991 1.00 0.00 C ATOM 100 O VAL A 11 3.128 5.185 2.001 1.00 0.00 O ATOM 101 CB VAL A 11 3.703 6.291 -0.774 1.00 0.00 C ATOM 102 CG1 VAL A 11 3.409 7.399 0.225 1.00 0.00 C ATOM 103 CG2 VAL A 11 5.199 6.031 -0.871 1.00 0.00 C ATOM 0 H VAL A 11 1.161 5.838 0.303 1.00 0.00 H new ATOM 0 HA VAL A 11 3.182 4.225 -1.117 1.00 0.00 H new ATOM 0 HB VAL A 11 3.350 6.615 -1.753 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.945 8.302 -0.065 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.338 7.601 0.239 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.733 7.088 1.218 1.00 0.00 H new ATOM 0 HG21 VAL A 11 5.711 6.953 -1.146 1.00 0.00 H new ATOM 0 HG22 VAL A 11 5.571 5.683 0.093 1.00 0.00 H new ATOM 0 HG23 VAL A 11 5.388 5.271 -1.629 1.00 0.00 H new ATOM 113 N ALA A 12 4.166 3.444 1.024 1.00 0.00 N ATOM 114 CA ALA A 12 4.682 2.907 2.277 1.00 0.00 C ATOM 115 C ALA A 12 5.600 3.910 2.968 1.00 0.00 C ATOM 116 O ALA A 12 6.659 4.258 2.446 1.00 0.00 O ATOM 117 CB ALA A 12 5.418 1.600 2.028 1.00 0.00 C ATOM 0 H ALA A 12 4.421 2.904 0.197 1.00 0.00 H new ATOM 0 HA ALA A 12 3.836 2.715 2.936 1.00 0.00 H new ATOM 0 HB1 ALA A 12 5.798 1.211 2.973 1.00 0.00 H new ATOM 0 HB2 ALA A 12 4.734 0.876 1.586 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.251 1.775 1.347 1.00 0.00 H new ATOM 123 N ARG A 13 5.186 4.372 4.143 1.00 0.00 N ATOM 124 CA ARG A 13 5.970 5.337 4.904 1.00 0.00 C ATOM 125 C ARG A 13 6.910 4.628 5.876 1.00 0.00 C ATOM 126 O ARG A 13 7.838 5.235 6.412 1.00 0.00 O ATOM 127 CB ARG A 13 5.047 6.286 5.671 1.00 0.00 C ATOM 128 CG ARG A 13 4.669 7.533 4.889 1.00 0.00 C ATOM 129 CD ARG A 13 5.848 8.483 4.752 1.00 0.00 C ATOM 130 NE ARG A 13 6.754 8.080 3.679 1.00 0.00 N ATOM 131 CZ ARG A 13 8.037 8.422 3.634 1.00 0.00 C ATOM 132 NH1 ARG A 13 8.562 9.170 4.595 1.00 0.00 N ATOM 133 NH2 ARG A 13 8.798 8.017 2.625 1.00 0.00 N ATOM 0 H ARG A 13 4.312 4.094 4.589 1.00 0.00 H new ATOM 0 HA ARG A 13 6.570 5.915 4.201 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.138 5.751 5.947 1.00 0.00 H new ATOM 0 HB3 ARG A 13 5.536 6.584 6.599 1.00 0.00 H new ATOM 0 HG2 ARG A 13 4.312 7.249 3.899 1.00 0.00 H new ATOM 0 HG3 ARG A 13 3.846 8.043 5.390 1.00 0.00 H new ATOM 0 HD2 ARG A 13 5.481 9.491 4.557 1.00 0.00 H new ATOM 0 HD3 ARG A 13 6.395 8.520 5.694 1.00 0.00 H new ATOM 0 HE ARG A 13 6.381 7.505 2.924 1.00 0.00 H new ATOM 0 HH11 ARG A 13 7.980 9.484 5.372 1.00 0.00 H new ATOM 0 HH12 ARG A 13 9.547 9.431 4.557 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.398 7.443 1.883 1.00 0.00 H new ATOM 0 HH22 ARG A 13 9.783 8.280 2.591 1.00 0.00 H new ATOM 147 N TYR A 14 6.662 3.343 6.098 1.00 0.00 N ATOM 148 CA TYR A 14 7.484 2.552 7.007 1.00 0.00 C ATOM 149 C TYR A 14 7.537 1.093 6.564 1.00 0.00 C ATOM 150 O TYR A 14 6.535 0.528 6.128 1.00 0.00 O ATOM 151 CB TYR A 14 6.937 2.644 8.433 1.00 0.00 C ATOM 152 CG TYR A 14 6.726 4.063 8.910 1.00 0.00 C ATOM 153 CD1 TYR A 14 7.806 4.907 9.140 1.00 0.00 C ATOM 154 CD2 TYR A 14 5.447 4.560 9.131 1.00 0.00 C ATOM 155 CE1 TYR A 14 7.618 6.204 9.577 1.00 0.00 C ATOM 156 CE2 TYR A 14 5.250 5.856 9.567 1.00 0.00 C ATOM 157 CZ TYR A 14 6.338 6.674 9.789 1.00 0.00 C ATOM 158 OH TYR A 14 6.147 7.965 10.223 1.00 0.00 O ATOM 0 H TYR A 14 5.899 2.826 5.661 1.00 0.00 H new ATOM 0 HA TYR A 14 8.496 2.956 6.986 1.00 0.00 H new ATOM 0 HB2 TYR A 14 5.990 2.107 8.485 1.00 0.00 H new ATOM 0 HB3 TYR A 14 7.626 2.140 9.111 1.00 0.00 H new ATOM 0 HD1 TYR A 14 8.809 4.543 8.974 1.00 0.00 H new ATOM 0 HD2 TYR A 14 4.593 3.922 8.959 1.00 0.00 H new ATOM 0 HE1 TYR A 14 8.468 6.847 9.752 1.00 0.00 H new ATOM 0 HE2 TYR A 14 4.249 6.227 9.733 1.00 0.00 H new ATOM 0 HH TYR A 14 5.188 8.138 10.322 1.00 0.00 H new ATOM 168 N ASN A 15 8.715 0.489 6.681 1.00 0.00 N ATOM 169 CA ASN A 15 8.901 -0.904 6.292 1.00 0.00 C ATOM 170 C ASN A 15 8.126 -1.836 7.219 1.00 0.00 C ATOM 171 O ASN A 15 8.118 -1.652 8.437 1.00 0.00 O ATOM 172 CB ASN A 15 10.388 -1.267 6.313 1.00 0.00 C ATOM 173 CG ASN A 15 10.880 -1.610 7.706 1.00 0.00 C ATOM 174 OD1 ASN A 15 10.865 -2.772 8.113 1.00 0.00 O ATOM 175 ND2 ASN A 15 11.318 -0.597 8.445 1.00 0.00 N ATOM 0 H ASN A 15 9.555 0.942 7.042 1.00 0.00 H new ATOM 0 HA ASN A 15 8.518 -1.027 5.279 1.00 0.00 H new ATOM 0 HB2 ASN A 15 10.562 -2.115 5.650 1.00 0.00 H new ATOM 0 HB3 ASN A 15 10.969 -0.432 5.921 1.00 0.00 H new ATOM 0 HD21 ASN A 15 11.660 -0.766 9.391 1.00 0.00 H new ATOM 0 HD22 ASN A 15 11.312 0.350 8.067 1.00 0.00 H new ATOM 182 N PHE A 16 7.476 -2.836 6.635 1.00 0.00 N ATOM 183 CA PHE A 16 6.697 -3.797 7.408 1.00 0.00 C ATOM 184 C PHE A 16 6.802 -5.194 6.804 1.00 0.00 C ATOM 185 O PHE A 16 6.395 -5.421 5.665 1.00 0.00 O ATOM 186 CB PHE A 16 5.230 -3.364 7.469 1.00 0.00 C ATOM 187 CG PHE A 16 4.275 -4.509 7.645 1.00 0.00 C ATOM 188 CD1 PHE A 16 4.149 -5.142 8.871 1.00 0.00 C ATOM 189 CD2 PHE A 16 3.502 -4.954 6.584 1.00 0.00 C ATOM 190 CE1 PHE A 16 3.270 -6.196 9.036 1.00 0.00 C ATOM 191 CE2 PHE A 16 2.622 -6.007 6.743 1.00 0.00 C ATOM 192 CZ PHE A 16 2.506 -6.630 7.970 1.00 0.00 C ATOM 0 H PHE A 16 7.473 -3.003 5.629 1.00 0.00 H new ATOM 0 HA PHE A 16 7.103 -3.827 8.419 1.00 0.00 H new ATOM 0 HB2 PHE A 16 5.100 -2.663 8.293 1.00 0.00 H new ATOM 0 HB3 PHE A 16 4.979 -2.829 6.553 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.745 -4.808 9.708 1.00 0.00 H new ATOM 0 HD2 PHE A 16 3.589 -4.472 5.622 1.00 0.00 H new ATOM 0 HE1 PHE A 16 3.181 -6.680 9.997 1.00 0.00 H new ATOM 0 HE2 PHE A 16 2.025 -6.343 5.908 1.00 0.00 H new ATOM 0 HZ PHE A 16 1.820 -7.454 8.096 1.00 0.00 H new ATOM 202 N ALA A 17 7.351 -6.126 7.575 1.00 0.00 N ATOM 203 CA ALA A 17 7.509 -7.501 7.118 1.00 0.00 C ATOM 204 C ALA A 17 6.254 -8.321 7.401 1.00 0.00 C ATOM 205 O ALA A 17 6.051 -8.797 8.517 1.00 0.00 O ATOM 206 CB ALA A 17 8.720 -8.141 7.779 1.00 0.00 C ATOM 0 H ALA A 17 7.694 -5.954 8.520 1.00 0.00 H new ATOM 0 HA ALA A 17 7.665 -7.484 6.039 1.00 0.00 H new ATOM 0 HB1 ALA A 17 8.826 -9.168 7.428 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.616 -7.576 7.522 1.00 0.00 H new ATOM 0 HB3 ALA A 17 8.587 -8.139 8.861 1.00 0.00 H new ATOM 212 N ALA A 18 5.416 -8.481 6.382 1.00 0.00 N ATOM 213 CA ALA A 18 4.182 -9.245 6.521 1.00 0.00 C ATOM 214 C ALA A 18 4.366 -10.416 7.480 1.00 0.00 C ATOM 215 O ALA A 18 5.034 -11.398 7.155 1.00 0.00 O ATOM 216 CB ALA A 18 3.713 -9.742 5.162 1.00 0.00 C ATOM 0 H ALA A 18 5.569 -8.092 5.452 1.00 0.00 H new ATOM 0 HA ALA A 18 3.421 -8.585 6.937 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.791 -10.311 5.281 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.532 -8.891 4.506 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.480 -10.381 4.724 1.00 0.00 H new ATOM 222 N ARG A 19 3.771 -10.305 8.663 1.00 0.00 N ATOM 223 CA ARG A 19 3.872 -11.354 9.671 1.00 0.00 C ATOM 224 C ARG A 19 3.565 -12.721 9.065 1.00 0.00 C ATOM 225 O ARG A 19 4.329 -13.671 9.233 1.00 0.00 O ATOM 226 CB ARG A 19 2.914 -11.072 10.830 1.00 0.00 C ATOM 227 CG ARG A 19 3.161 -9.736 11.512 1.00 0.00 C ATOM 228 CD ARG A 19 1.944 -9.280 12.301 1.00 0.00 C ATOM 229 NE ARG A 19 0.794 -9.026 11.436 1.00 0.00 N ATOM 230 CZ ARG A 19 -0.433 -8.805 11.892 1.00 0.00 C ATOM 231 NH1 ARG A 19 -0.670 -8.806 13.196 1.00 0.00 N ATOM 232 NH2 ARG A 19 -1.428 -8.582 11.042 1.00 0.00 N ATOM 0 H ARG A 19 3.214 -9.499 8.947 1.00 0.00 H new ATOM 0 HA ARG A 19 4.895 -11.363 10.048 1.00 0.00 H new ATOM 0 HB2 ARG A 19 1.890 -11.097 10.458 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.005 -11.869 11.568 1.00 0.00 H new ATOM 0 HG2 ARG A 19 4.018 -9.820 12.180 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.413 -8.985 10.763 1.00 0.00 H new ATOM 0 HD2 ARG A 19 1.683 -10.041 13.037 1.00 0.00 H new ATOM 0 HD3 ARG A 19 2.189 -8.373 12.854 1.00 0.00 H new ATOM 0 HE ARG A 19 0.942 -9.018 10.427 1.00 0.00 H new ATOM 0 HH11 ARG A 19 0.092 -8.977 13.853 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -1.614 -8.636 13.543 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -1.250 -8.580 10.038 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.370 -8.412 11.393 1.00 0.00 H new ATOM 246 N ASP A 20 2.442 -12.811 8.360 1.00 0.00 N ATOM 247 CA ASP A 20 2.034 -14.060 7.729 1.00 0.00 C ATOM 248 C ASP A 20 1.963 -13.905 6.213 1.00 0.00 C ATOM 249 O ASP A 20 2.089 -12.800 5.686 1.00 0.00 O ATOM 250 CB ASP A 20 0.677 -14.511 8.271 1.00 0.00 C ATOM 251 CG ASP A 20 0.349 -15.942 7.893 1.00 0.00 C ATOM 252 OD1 ASP A 20 1.293 -16.732 7.682 1.00 0.00 O ATOM 253 OD2 ASP A 20 -0.853 -16.272 7.808 1.00 0.00 O ATOM 0 H ASP A 20 1.799 -12.034 8.212 1.00 0.00 H new ATOM 0 HA ASP A 20 2.781 -14.818 7.965 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.673 -14.415 9.357 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.101 -13.850 7.889 1.00 0.00 H new ATOM 258 N MET A 21 1.764 -15.020 5.518 1.00 0.00 N ATOM 259 CA MET A 21 1.677 -15.008 4.062 1.00 0.00 C ATOM 260 C MET A 21 0.548 -14.095 3.593 1.00 0.00 C ATOM 261 O MET A 21 0.721 -13.306 2.664 1.00 0.00 O ATOM 262 CB MET A 21 1.457 -16.425 3.531 1.00 0.00 C ATOM 263 CG MET A 21 2.673 -17.325 3.677 1.00 0.00 C ATOM 264 SD MET A 21 2.589 -18.785 2.622 1.00 0.00 S ATOM 265 CE MET A 21 2.778 -18.043 1.003 1.00 0.00 C ATOM 0 H MET A 21 1.660 -15.943 5.939 1.00 0.00 H new ATOM 0 HA MET A 21 2.618 -14.624 3.670 1.00 0.00 H new ATOM 0 HB2 MET A 21 0.616 -16.875 4.059 1.00 0.00 H new ATOM 0 HB3 MET A 21 1.180 -16.371 2.478 1.00 0.00 H new ATOM 0 HG2 MET A 21 3.571 -16.757 3.434 1.00 0.00 H new ATOM 0 HG3 MET A 21 2.765 -17.638 4.717 1.00 0.00 H new ATOM 0 HE1 MET A 21 3.167 -18.785 0.306 1.00 0.00 H new ATOM 0 HE2 MET A 21 1.810 -17.687 0.651 1.00 0.00 H new ATOM 0 HE3 MET A 21 3.472 -17.205 1.066 1.00 0.00 H new ATOM 275 N ARG A 22 -0.607 -14.210 4.240 1.00 0.00 N ATOM 276 CA ARG A 22 -1.764 -13.396 3.887 1.00 0.00 C ATOM 277 C ARG A 22 -1.377 -11.925 3.763 1.00 0.00 C ATOM 278 O ARG A 22 -1.631 -11.292 2.739 1.00 0.00 O ATOM 279 CB ARG A 22 -2.867 -13.557 4.936 1.00 0.00 C ATOM 280 CG ARG A 22 -3.311 -14.997 5.135 1.00 0.00 C ATOM 281 CD ARG A 22 -4.403 -15.385 4.150 1.00 0.00 C ATOM 282 NE ARG A 22 -3.853 -15.921 2.908 1.00 0.00 N ATOM 283 CZ ARG A 22 -3.194 -17.072 2.832 1.00 0.00 C ATOM 284 NH1 ARG A 22 -3.004 -17.804 3.921 1.00 0.00 N ATOM 285 NH2 ARG A 22 -2.724 -17.494 1.665 1.00 0.00 N ATOM 0 H ARG A 22 -0.767 -14.859 5.011 1.00 0.00 H new ATOM 0 HA ARG A 22 -2.137 -13.739 2.922 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -2.513 -13.160 5.887 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -3.728 -12.957 4.641 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -2.456 -15.662 5.013 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -3.675 -15.129 6.154 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -5.057 -16.128 4.607 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -5.018 -14.513 3.928 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.982 -15.382 2.052 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -3.364 -17.484 4.820 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -2.498 -18.687 3.860 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.868 -16.934 0.825 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.218 -18.378 1.608 1.00 0.00 H new ATOM 299 N GLU A 23 -0.763 -11.389 4.813 1.00 0.00 N ATOM 300 CA GLU A 23 -0.343 -9.993 4.821 1.00 0.00 C ATOM 301 C GLU A 23 0.562 -9.690 3.630 1.00 0.00 C ATOM 302 O GLU A 23 0.796 -10.550 2.780 1.00 0.00 O ATOM 303 CB GLU A 23 0.386 -9.664 6.126 1.00 0.00 C ATOM 304 CG GLU A 23 -0.539 -9.539 7.325 1.00 0.00 C ATOM 305 CD GLU A 23 -1.483 -10.718 7.459 1.00 0.00 C ATOM 306 OE1 GLU A 23 -2.530 -10.720 6.779 1.00 0.00 O ATOM 307 OE2 GLU A 23 -1.174 -11.639 8.244 1.00 0.00 O ATOM 0 H GLU A 23 -0.546 -11.900 5.669 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.235 -9.372 4.745 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.124 -10.441 6.326 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.933 -8.730 6.001 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.058 -9.452 8.233 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.120 -8.621 7.237 1.00 0.00 H new ATOM 314 N LEU A 24 1.067 -8.463 3.576 1.00 0.00 N ATOM 315 CA LEU A 24 1.946 -8.045 2.489 1.00 0.00 C ATOM 316 C LEU A 24 3.099 -7.197 3.017 1.00 0.00 C ATOM 317 O LEU A 24 2.896 -6.288 3.821 1.00 0.00 O ATOM 318 CB LEU A 24 1.156 -7.257 1.442 1.00 0.00 C ATOM 319 CG LEU A 24 1.959 -6.731 0.252 1.00 0.00 C ATOM 320 CD1 LEU A 24 2.332 -7.869 -0.685 1.00 0.00 C ATOM 321 CD2 LEU A 24 1.171 -5.662 -0.492 1.00 0.00 C ATOM 0 H LEU A 24 0.883 -7.740 4.272 1.00 0.00 H new ATOM 0 HA LEU A 24 2.360 -8.940 2.025 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.357 -7.895 1.063 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.680 -6.410 1.936 1.00 0.00 H new ATOM 0 HG LEU A 24 2.878 -6.281 0.628 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.903 -7.476 -1.526 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.935 -8.600 -0.147 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.425 -8.348 -1.055 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.758 -5.299 -1.336 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.236 -6.087 -0.856 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.955 -4.834 0.183 1.00 0.00 H new ATOM 333 N SER A 25 4.309 -7.500 2.556 1.00 0.00 N ATOM 334 CA SER A 25 5.495 -6.767 2.983 1.00 0.00 C ATOM 335 C SER A 25 5.517 -5.368 2.375 1.00 0.00 C ATOM 336 O SER A 25 5.339 -5.201 1.168 1.00 0.00 O ATOM 337 CB SER A 25 6.761 -7.528 2.586 1.00 0.00 C ATOM 338 OG SER A 25 6.814 -8.795 3.219 1.00 0.00 O ATOM 0 H SER A 25 4.493 -8.248 1.887 1.00 0.00 H new ATOM 0 HA SER A 25 5.462 -6.672 4.068 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.787 -7.657 1.504 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.640 -6.945 2.859 1.00 0.00 H new ATOM 0 HG SER A 25 7.632 -9.262 2.948 1.00 0.00 H new ATOM 344 N LEU A 26 5.736 -4.366 3.219 1.00 0.00 N ATOM 345 CA LEU A 26 5.782 -2.980 2.766 1.00 0.00 C ATOM 346 C LEU A 26 7.199 -2.424 2.858 1.00 0.00 C ATOM 347 O LEU A 26 7.885 -2.608 3.864 1.00 0.00 O ATOM 348 CB LEU A 26 4.829 -2.120 3.598 1.00 0.00 C ATOM 349 CG LEU A 26 3.341 -2.443 3.462 1.00 0.00 C ATOM 350 CD1 LEU A 26 2.526 -1.638 4.463 1.00 0.00 C ATOM 351 CD2 LEU A 26 2.864 -2.173 2.043 1.00 0.00 C ATOM 0 H LEU A 26 5.885 -4.487 4.221 1.00 0.00 H new ATOM 0 HA LEU A 26 5.469 -2.953 1.722 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.107 -2.217 4.648 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.980 -1.076 3.323 1.00 0.00 H new ATOM 0 HG LEU A 26 3.198 -3.502 3.676 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.469 -1.881 4.351 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.849 -1.882 5.475 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.675 -0.574 4.281 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.803 -2.409 1.965 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.021 -1.122 1.800 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.426 -2.795 1.346 1.00 0.00 H new ATOM 363 N ARG A 27 7.631 -1.741 1.803 1.00 0.00 N ATOM 364 CA ARG A 27 8.966 -1.157 1.765 1.00 0.00 C ATOM 365 C ARG A 27 8.894 0.349 1.527 1.00 0.00 C ATOM 366 O ARG A 27 8.060 0.826 0.758 1.00 0.00 O ATOM 367 CB ARG A 27 9.804 -1.818 0.668 1.00 0.00 C ATOM 368 CG ARG A 27 11.298 -1.588 0.823 1.00 0.00 C ATOM 369 CD ARG A 27 12.099 -2.500 -0.094 1.00 0.00 C ATOM 370 NE ARG A 27 13.449 -2.735 0.412 1.00 0.00 N ATOM 371 CZ ARG A 27 13.717 -3.502 1.463 1.00 0.00 C ATOM 372 NH1 ARG A 27 12.734 -4.105 2.115 1.00 0.00 N ATOM 373 NH2 ARG A 27 14.972 -3.667 1.862 1.00 0.00 N ATOM 0 H ARG A 27 7.076 -1.579 0.963 1.00 0.00 H new ATOM 0 HA ARG A 27 9.440 -1.333 2.731 1.00 0.00 H new ATOM 0 HB2 ARG A 27 9.608 -2.890 0.669 1.00 0.00 H new ATOM 0 HB3 ARG A 27 9.485 -1.436 -0.302 1.00 0.00 H new ATOM 0 HG2 ARG A 27 11.532 -0.547 0.599 1.00 0.00 H new ATOM 0 HG3 ARG A 27 11.589 -1.764 1.858 1.00 0.00 H new ATOM 0 HD2 ARG A 27 11.581 -3.453 -0.201 1.00 0.00 H new ATOM 0 HD3 ARG A 27 12.156 -2.055 -1.088 1.00 0.00 H new ATOM 0 HE ARG A 27 14.229 -2.285 -0.068 1.00 0.00 H new ATOM 0 HH11 ARG A 27 11.769 -3.981 1.810 1.00 0.00 H new ATOM 0 HH12 ARG A 27 12.943 -4.693 2.922 1.00 0.00 H new ATOM 0 HH21 ARG A 27 15.731 -3.205 1.362 1.00 0.00 H new ATOM 0 HH22 ARG A 27 15.177 -4.256 2.669 1.00 0.00 H new ATOM 387 N GLU A 28 9.773 1.090 2.193 1.00 0.00 N ATOM 388 CA GLU A 28 9.808 2.542 2.055 1.00 0.00 C ATOM 389 C GLU A 28 9.863 2.947 0.585 1.00 0.00 C ATOM 390 O GLU A 28 10.884 2.773 -0.080 1.00 0.00 O ATOM 391 CB GLU A 28 11.013 3.119 2.800 1.00 0.00 C ATOM 392 CG GLU A 28 10.734 3.426 4.262 1.00 0.00 C ATOM 393 CD GLU A 28 11.980 3.345 5.123 1.00 0.00 C ATOM 394 OE1 GLU A 28 13.052 3.787 4.657 1.00 0.00 O ATOM 395 OE2 GLU A 28 11.884 2.840 6.261 1.00 0.00 O ATOM 0 H GLU A 28 10.470 0.710 2.833 1.00 0.00 H new ATOM 0 HA GLU A 28 8.894 2.945 2.491 1.00 0.00 H new ATOM 0 HB2 GLU A 28 11.841 2.413 2.737 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.335 4.033 2.300 1.00 0.00 H new ATOM 0 HG2 GLU A 28 10.304 4.424 4.344 1.00 0.00 H new ATOM 0 HG3 GLU A 28 9.989 2.726 4.641 1.00 0.00 H new ATOM 402 N GLY A 29 8.757 3.488 0.084 1.00 0.00 N ATOM 403 CA GLY A 29 8.700 3.909 -1.304 1.00 0.00 C ATOM 404 C GLY A 29 7.774 3.044 -2.135 1.00 0.00 C ATOM 405 O GLY A 29 7.205 3.504 -3.125 1.00 0.00 O ATOM 0 H GLY A 29 7.899 3.642 0.614 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.365 4.945 -1.353 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.702 3.878 -1.731 1.00 0.00 H new ATOM 409 N ASP A 30 7.622 1.787 -1.733 1.00 0.00 N ATOM 410 CA ASP A 30 6.759 0.854 -2.448 1.00 0.00 C ATOM 411 C ASP A 30 5.342 1.406 -2.564 1.00 0.00 C ATOM 412 O ASP A 30 4.615 1.494 -1.574 1.00 0.00 O ATOM 413 CB ASP A 30 6.735 -0.500 -1.737 1.00 0.00 C ATOM 414 CG ASP A 30 7.953 -1.344 -2.059 1.00 0.00 C ATOM 415 OD1 ASP A 30 9.005 -0.763 -2.397 1.00 0.00 O ATOM 416 OD2 ASP A 30 7.853 -2.586 -1.971 1.00 0.00 O ATOM 0 H ASP A 30 8.085 1.391 -0.915 1.00 0.00 H new ATOM 0 HA ASP A 30 7.162 0.721 -3.452 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.681 -0.341 -0.660 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.834 -1.042 -2.025 1.00 0.00 H new ATOM 421 N VAL A 31 4.955 1.778 -3.781 1.00 0.00 N ATOM 422 CA VAL A 31 3.625 2.322 -4.027 1.00 0.00 C ATOM 423 C VAL A 31 2.598 1.207 -4.196 1.00 0.00 C ATOM 424 O VAL A 31 2.670 0.419 -5.139 1.00 0.00 O ATOM 425 CB VAL A 31 3.607 3.215 -5.281 1.00 0.00 C ATOM 426 CG1 VAL A 31 2.217 3.791 -5.507 1.00 0.00 C ATOM 427 CG2 VAL A 31 4.640 4.325 -5.159 1.00 0.00 C ATOM 0 H VAL A 31 5.544 1.712 -4.611 1.00 0.00 H new ATOM 0 HA VAL A 31 3.364 2.925 -3.157 1.00 0.00 H new ATOM 0 HB VAL A 31 3.865 2.603 -6.145 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.224 4.419 -6.398 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.504 2.978 -5.642 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.926 4.389 -4.643 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.614 4.947 -6.054 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.415 4.937 -4.285 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.633 3.888 -5.050 1.00 0.00 H new ATOM 437 N VAL A 32 1.641 1.147 -3.275 1.00 0.00 N ATOM 438 CA VAL A 32 0.597 0.130 -3.322 1.00 0.00 C ATOM 439 C VAL A 32 -0.709 0.707 -3.857 1.00 0.00 C ATOM 440 O VAL A 32 -1.069 1.844 -3.550 1.00 0.00 O ATOM 441 CB VAL A 32 0.345 -0.479 -1.930 1.00 0.00 C ATOM 442 CG1 VAL A 32 -0.492 -1.744 -2.045 1.00 0.00 C ATOM 443 CG2 VAL A 32 1.663 -0.765 -1.227 1.00 0.00 C ATOM 0 H VAL A 32 1.567 1.791 -2.487 1.00 0.00 H new ATOM 0 HA VAL A 32 0.947 -0.653 -3.995 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.210 0.243 -1.332 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.660 -2.161 -1.052 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.451 -1.505 -2.505 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.034 -2.474 -2.660 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.466 -1.195 -0.245 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.247 -1.469 -1.821 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.222 0.163 -1.111 1.00 0.00 H new ATOM 453 N ARG A 33 -1.415 -0.084 -4.658 1.00 0.00 N ATOM 454 CA ARG A 33 -2.681 0.348 -5.236 1.00 0.00 C ATOM 455 C ARG A 33 -3.859 -0.271 -4.489 1.00 0.00 C ATOM 456 O ARG A 33 -4.189 -1.440 -4.691 1.00 0.00 O ATOM 457 CB ARG A 33 -2.746 -0.031 -6.717 1.00 0.00 C ATOM 458 CG ARG A 33 -1.960 0.904 -7.620 1.00 0.00 C ATOM 459 CD ARG A 33 -1.747 0.299 -8.999 1.00 0.00 C ATOM 460 NE ARG A 33 -0.578 -0.575 -9.039 1.00 0.00 N ATOM 461 CZ ARG A 33 0.665 -0.133 -9.192 1.00 0.00 C ATOM 462 NH1 ARG A 33 0.900 1.165 -9.318 1.00 0.00 N ATOM 463 NH2 ARG A 33 1.677 -0.991 -9.218 1.00 0.00 N ATOM 0 H ARG A 33 -1.131 -1.028 -4.921 1.00 0.00 H new ATOM 0 HA ARG A 33 -2.743 1.432 -5.143 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -2.367 -1.045 -6.841 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -3.788 -0.039 -7.036 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -2.491 1.851 -7.715 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -0.994 1.124 -7.165 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -2.633 -0.267 -9.287 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -1.627 1.098 -9.731 1.00 0.00 H new ATOM 0 HE ARG A 33 -0.724 -1.580 -8.944 1.00 0.00 H new ATOM 0 HH11 ARG A 33 0.125 1.828 -9.298 1.00 0.00 H new ATOM 0 HH12 ARG A 33 1.856 1.501 -9.435 1.00 0.00 H new ATOM 0 HH21 ARG A 33 1.501 -1.991 -9.120 1.00 0.00 H new ATOM 0 HH22 ARG A 33 2.631 -0.651 -9.336 1.00 0.00 H new ATOM 477 N ILE A 34 -4.488 0.521 -3.627 1.00 0.00 N ATOM 478 CA ILE A 34 -5.629 0.051 -2.851 1.00 0.00 C ATOM 479 C ILE A 34 -6.732 -0.478 -3.761 1.00 0.00 C ATOM 480 O ILE A 34 -7.502 0.293 -4.334 1.00 0.00 O ATOM 481 CB ILE A 34 -6.205 1.170 -1.963 1.00 0.00 C ATOM 482 CG1 ILE A 34 -5.157 1.637 -0.951 1.00 0.00 C ATOM 483 CG2 ILE A 34 -7.459 0.687 -1.250 1.00 0.00 C ATOM 484 CD1 ILE A 34 -5.355 3.064 -0.491 1.00 0.00 C ATOM 0 H ILE A 34 -4.227 1.491 -3.448 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.267 -0.757 -2.215 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.474 2.015 -2.597 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -5.182 0.977 -0.084 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.166 1.541 -1.396 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.855 1.489 -0.626 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -8.208 0.398 -1.987 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.214 -0.172 -0.625 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.576 3.327 0.225 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.300 3.734 -1.349 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.332 3.161 -0.017 1.00 0.00 H new ATOM 496 N TYR A 35 -6.803 -1.798 -3.888 1.00 0.00 N ATOM 497 CA TYR A 35 -7.812 -2.432 -4.729 1.00 0.00 C ATOM 498 C TYR A 35 -9.154 -2.506 -4.008 1.00 0.00 C ATOM 499 O TYR A 35 -10.201 -2.216 -4.588 1.00 0.00 O ATOM 500 CB TYR A 35 -7.360 -3.836 -5.134 1.00 0.00 C ATOM 501 CG TYR A 35 -6.258 -3.842 -6.169 1.00 0.00 C ATOM 502 CD1 TYR A 35 -6.315 -3.008 -7.279 1.00 0.00 C ATOM 503 CD2 TYR A 35 -5.159 -4.683 -6.037 1.00 0.00 C ATOM 504 CE1 TYR A 35 -5.310 -3.011 -8.227 1.00 0.00 C ATOM 505 CE2 TYR A 35 -4.149 -4.691 -6.980 1.00 0.00 C ATOM 506 CZ TYR A 35 -4.229 -3.853 -8.073 1.00 0.00 C ATOM 507 OH TYR A 35 -3.226 -3.860 -9.014 1.00 0.00 O ATOM 0 H TYR A 35 -6.174 -2.450 -3.419 1.00 0.00 H new ATOM 0 HA TYR A 35 -7.935 -1.824 -5.626 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -7.017 -4.368 -4.247 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -8.216 -4.386 -5.524 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -7.159 -2.346 -7.403 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -5.093 -5.341 -5.183 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -5.371 -2.357 -9.084 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -3.301 -5.350 -6.862 1.00 0.00 H new ATOM 0 HH TYR A 35 -2.539 -4.509 -8.755 1.00 0.00 H new ATOM 517 N SER A 36 -9.116 -2.896 -2.738 1.00 0.00 N ATOM 518 CA SER A 36 -10.328 -3.011 -1.936 1.00 0.00 C ATOM 519 C SER A 36 -10.210 -2.197 -0.652 1.00 0.00 C ATOM 520 O SER A 36 -9.497 -2.579 0.276 1.00 0.00 O ATOM 521 CB SER A 36 -10.604 -4.478 -1.599 1.00 0.00 C ATOM 522 OG SER A 36 -11.374 -5.098 -2.615 1.00 0.00 O ATOM 0 H SER A 36 -8.258 -3.138 -2.242 1.00 0.00 H new ATOM 0 HA SER A 36 -11.159 -2.616 -2.520 1.00 0.00 H new ATOM 0 HB2 SER A 36 -9.661 -5.010 -1.477 1.00 0.00 H new ATOM 0 HB3 SER A 36 -11.132 -4.543 -0.647 1.00 0.00 H new ATOM 0 HG SER A 36 -11.536 -6.035 -2.377 1.00 0.00 H new ATOM 528 N ARG A 37 -10.915 -1.071 -0.606 1.00 0.00 N ATOM 529 CA ARG A 37 -10.889 -0.200 0.563 1.00 0.00 C ATOM 530 C ARG A 37 -11.493 -0.901 1.777 1.00 0.00 C ATOM 531 O ARG A 37 -11.023 -0.731 2.902 1.00 0.00 O ATOM 532 CB ARG A 37 -11.650 1.096 0.278 1.00 0.00 C ATOM 533 CG ARG A 37 -11.201 2.268 1.135 1.00 0.00 C ATOM 534 CD ARG A 37 -12.192 3.419 1.068 1.00 0.00 C ATOM 535 NE ARG A 37 -11.610 4.670 1.547 1.00 0.00 N ATOM 536 CZ ARG A 37 -11.302 4.898 2.819 1.00 0.00 C ATOM 537 NH1 ARG A 37 -11.519 3.964 3.734 1.00 0.00 N ATOM 538 NH2 ARG A 37 -10.776 6.062 3.177 1.00 0.00 N ATOM 0 H ARG A 37 -11.511 -0.741 -1.365 1.00 0.00 H new ATOM 0 HA ARG A 37 -9.849 0.039 0.783 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -11.525 1.357 -0.773 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -12.714 0.925 0.440 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -11.090 1.942 2.169 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -10.221 2.610 0.801 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -12.530 3.547 0.040 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -13.071 3.176 1.665 1.00 0.00 H new ATOM 0 HE ARG A 37 -11.430 5.409 0.868 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -11.923 3.068 3.462 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -11.282 4.141 4.710 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -10.608 6.783 2.475 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -10.540 6.236 4.154 1.00 0.00 H new ATOM 552 N ILE A 38 -12.537 -1.688 1.540 1.00 0.00 N ATOM 553 CA ILE A 38 -13.205 -2.415 2.613 1.00 0.00 C ATOM 554 C ILE A 38 -13.461 -3.865 2.218 1.00 0.00 C ATOM 555 O ILE A 38 -13.810 -4.156 1.075 1.00 0.00 O ATOM 556 CB ILE A 38 -14.543 -1.754 2.992 1.00 0.00 C ATOM 557 CG1 ILE A 38 -14.310 -0.322 3.480 1.00 0.00 C ATOM 558 CG2 ILE A 38 -15.255 -2.573 4.058 1.00 0.00 C ATOM 559 CD1 ILE A 38 -15.587 0.459 3.692 1.00 0.00 C ATOM 0 H ILE A 38 -12.939 -1.839 0.615 1.00 0.00 H new ATOM 0 HA ILE A 38 -12.539 -2.388 3.475 1.00 0.00 H new ATOM 0 HB ILE A 38 -15.177 -1.717 2.106 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -13.752 -0.352 4.416 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -13.688 0.204 2.755 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -16.199 -2.093 4.315 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -15.450 -3.576 3.677 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -14.627 -2.638 4.947 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -15.346 1.464 4.038 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -16.136 0.520 2.752 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -16.201 -0.044 4.439 1.00 0.00 H new ATOM 571 N GLY A 39 -13.287 -4.773 3.174 1.00 0.00 N ATOM 572 CA GLY A 39 -13.505 -6.182 2.907 1.00 0.00 C ATOM 573 C GLY A 39 -12.391 -7.055 3.452 1.00 0.00 C ATOM 574 O GLY A 39 -12.107 -8.122 2.910 1.00 0.00 O ATOM 0 H GLY A 39 -12.999 -4.557 4.128 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -14.453 -6.490 3.349 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -13.590 -6.336 1.831 1.00 0.00 H new ATOM 578 N GLY A 40 -11.756 -6.599 4.528 1.00 0.00 N ATOM 579 CA GLY A 40 -10.673 -7.356 5.127 1.00 0.00 C ATOM 580 C GLY A 40 -10.722 -7.338 6.642 1.00 0.00 C ATOM 581 O GLY A 40 -11.643 -7.886 7.247 1.00 0.00 O ATOM 0 H GLY A 40 -11.973 -5.719 4.995 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.718 -8.387 4.777 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.720 -6.947 4.792 1.00 0.00 H new ATOM 585 N ASP A 41 -9.726 -6.708 7.256 1.00 0.00 N ATOM 586 CA ASP A 41 -9.659 -6.621 8.710 1.00 0.00 C ATOM 587 C ASP A 41 -10.303 -5.331 9.208 1.00 0.00 C ATOM 588 O ASP A 41 -10.818 -4.540 8.419 1.00 0.00 O ATOM 589 CB ASP A 41 -8.205 -6.693 9.179 1.00 0.00 C ATOM 590 CG ASP A 41 -7.400 -7.725 8.414 1.00 0.00 C ATOM 591 OD1 ASP A 41 -7.477 -8.920 8.768 1.00 0.00 O ATOM 592 OD2 ASP A 41 -6.693 -7.338 7.461 1.00 0.00 O ATOM 0 H ASP A 41 -8.955 -6.251 6.770 1.00 0.00 H new ATOM 0 HA ASP A 41 -10.210 -7.465 9.126 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -7.740 -5.714 9.062 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -8.181 -6.933 10.242 1.00 0.00 H new ATOM 597 N GLN A 42 -10.272 -5.129 10.521 1.00 0.00 N ATOM 598 CA GLN A 42 -10.856 -3.936 11.124 1.00 0.00 C ATOM 599 C GLN A 42 -10.602 -2.708 10.256 1.00 0.00 C ATOM 600 O GLN A 42 -11.525 -1.960 9.936 1.00 0.00 O ATOM 601 CB GLN A 42 -10.281 -3.713 12.524 1.00 0.00 C ATOM 602 CG GLN A 42 -8.788 -3.425 12.530 1.00 0.00 C ATOM 603 CD GLN A 42 -8.189 -3.484 13.921 1.00 0.00 C ATOM 604 OE1 GLN A 42 -8.162 -4.540 14.555 1.00 0.00 O ATOM 605 NE2 GLN A 42 -7.702 -2.347 14.405 1.00 0.00 N ATOM 0 H GLN A 42 -9.849 -5.775 11.187 1.00 0.00 H new ATOM 0 HA GLN A 42 -11.933 -4.088 11.201 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -10.805 -2.881 12.995 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -10.475 -4.597 13.132 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -8.280 -4.145 11.889 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -8.610 -2.438 12.103 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.745 -1.495 13.846 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.285 -2.326 15.336 1.00 0.00 H new ATOM 614 N GLY A 43 -9.344 -2.507 9.877 1.00 0.00 N ATOM 615 CA GLY A 43 -8.991 -1.368 9.050 1.00 0.00 C ATOM 616 C GLY A 43 -7.721 -1.599 8.255 1.00 0.00 C ATOM 617 O GLY A 43 -6.666 -1.059 8.588 1.00 0.00 O ATOM 0 H GLY A 43 -8.563 -3.113 10.128 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.811 -1.153 8.365 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.865 -0.489 9.682 1.00 0.00 H new ATOM 621 N TRP A 44 -7.822 -2.404 7.204 1.00 0.00 N ATOM 622 CA TRP A 44 -6.671 -2.707 6.361 1.00 0.00 C ATOM 623 C TRP A 44 -6.990 -2.452 4.892 1.00 0.00 C ATOM 624 O TRP A 44 -8.085 -2.000 4.555 1.00 0.00 O ATOM 625 CB TRP A 44 -6.238 -4.161 6.556 1.00 0.00 C ATOM 626 CG TRP A 44 -5.338 -4.359 7.738 1.00 0.00 C ATOM 627 CD1 TRP A 44 -5.625 -4.077 9.043 1.00 0.00 C ATOM 628 CD2 TRP A 44 -4.004 -4.879 7.722 1.00 0.00 C ATOM 629 NE1 TRP A 44 -4.550 -4.391 9.839 1.00 0.00 N ATOM 630 CE2 TRP A 44 -3.543 -4.886 9.053 1.00 0.00 C ATOM 631 CE3 TRP A 44 -3.155 -5.341 6.713 1.00 0.00 C ATOM 632 CZ2 TRP A 44 -2.271 -5.336 9.397 1.00 0.00 C ATOM 633 CZ3 TRP A 44 -1.893 -5.787 7.056 1.00 0.00 C ATOM 634 CH2 TRP A 44 -1.461 -5.783 8.389 1.00 0.00 C ATOM 0 H TRP A 44 -8.688 -2.859 6.915 1.00 0.00 H new ATOM 0 HA TRP A 44 -5.853 -2.049 6.656 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -7.125 -4.784 6.675 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -5.726 -4.504 5.657 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -6.559 -3.667 9.397 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -4.508 -4.274 10.851 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.480 -5.349 5.683 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -1.936 -5.332 10.424 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -1.228 -6.145 6.284 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.469 -6.140 8.625 1.00 0.00 H new ATOM 645 N TRP A 45 -6.030 -2.745 4.023 1.00 0.00 N ATOM 646 CA TRP A 45 -6.210 -2.547 2.589 1.00 0.00 C ATOM 647 C TRP A 45 -5.577 -3.686 1.798 1.00 0.00 C ATOM 648 O TRP A 45 -4.716 -4.405 2.306 1.00 0.00 O ATOM 649 CB TRP A 45 -5.603 -1.211 2.157 1.00 0.00 C ATOM 650 CG TRP A 45 -6.524 -0.046 2.362 1.00 0.00 C ATOM 651 CD1 TRP A 45 -7.889 -0.068 2.341 1.00 0.00 C ATOM 652 CD2 TRP A 45 -6.146 1.311 2.615 1.00 0.00 C ATOM 653 NE1 TRP A 45 -8.383 1.195 2.567 1.00 0.00 N ATOM 654 CE2 TRP A 45 -7.333 2.058 2.739 1.00 0.00 C ATOM 655 CE3 TRP A 45 -4.920 1.967 2.752 1.00 0.00 C ATOM 656 CZ2 TRP A 45 -7.328 3.428 2.992 1.00 0.00 C ATOM 657 CZ3 TRP A 45 -4.916 3.327 3.003 1.00 0.00 C ATOM 658 CH2 TRP A 45 -6.114 4.045 3.121 1.00 0.00 C ATOM 0 H TRP A 45 -5.119 -3.121 4.286 1.00 0.00 H new ATOM 0 HA TRP A 45 -7.280 -2.536 2.381 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -4.683 -1.040 2.716 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -5.330 -1.268 1.103 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -8.492 -0.948 2.172 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -9.370 1.448 2.601 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -3.992 1.422 2.663 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -8.250 3.983 3.083 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -3.974 3.844 3.110 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -6.078 5.106 3.318 1.00 0.00 H new ATOM 669 N LYS A 46 -6.008 -3.846 0.552 1.00 0.00 N ATOM 670 CA LYS A 46 -5.482 -4.898 -0.311 1.00 0.00 C ATOM 671 C LYS A 46 -5.012 -4.324 -1.644 1.00 0.00 C ATOM 672 O LYS A 46 -5.818 -3.873 -2.456 1.00 0.00 O ATOM 673 CB LYS A 46 -6.548 -5.969 -0.553 1.00 0.00 C ATOM 674 CG LYS A 46 -5.979 -7.306 -0.995 1.00 0.00 C ATOM 675 CD LYS A 46 -7.040 -8.393 -0.988 1.00 0.00 C ATOM 676 CE LYS A 46 -6.533 -9.670 -1.641 1.00 0.00 C ATOM 677 NZ LYS A 46 -7.256 -10.873 -1.143 1.00 0.00 N ATOM 0 H LYS A 46 -6.721 -3.261 0.116 1.00 0.00 H new ATOM 0 HA LYS A 46 -4.628 -5.351 0.191 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -7.121 -6.113 0.363 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -7.244 -5.612 -1.312 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -5.561 -7.211 -1.997 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -5.161 -7.591 -0.334 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -7.341 -8.603 0.038 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -7.927 -8.041 -1.515 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.652 -9.597 -2.722 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.467 -9.780 -1.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -6.881 -11.722 -1.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.122 -10.958 -0.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -8.270 -10.780 -1.354 1.00 0.00 H new ATOM 691 N GLY A 47 -3.700 -4.346 -1.863 1.00 0.00 N ATOM 692 CA GLY A 47 -3.146 -3.826 -3.099 1.00 0.00 C ATOM 693 C GLY A 47 -2.107 -4.751 -3.703 1.00 0.00 C ATOM 694 O GLY A 47 -2.085 -5.945 -3.409 1.00 0.00 O ATOM 0 H GLY A 47 -3.012 -4.715 -1.206 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.951 -3.670 -3.817 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.695 -2.852 -2.910 1.00 0.00 H new ATOM 698 N GLU A 48 -1.245 -4.197 -4.549 1.00 0.00 N ATOM 699 CA GLU A 48 -0.200 -4.981 -5.197 1.00 0.00 C ATOM 700 C GLU A 48 1.047 -4.135 -5.436 1.00 0.00 C ATOM 701 O GLU A 48 0.958 -2.980 -5.854 1.00 0.00 O ATOM 702 CB GLU A 48 -0.707 -5.548 -6.525 1.00 0.00 C ATOM 703 CG GLU A 48 0.342 -6.338 -7.289 1.00 0.00 C ATOM 704 CD GLU A 48 -0.021 -6.530 -8.749 1.00 0.00 C ATOM 705 OE1 GLU A 48 -1.100 -7.095 -9.022 1.00 0.00 O ATOM 706 OE2 GLU A 48 0.774 -6.115 -9.618 1.00 0.00 O ATOM 0 H GLU A 48 -1.249 -3.209 -4.802 1.00 0.00 H new ATOM 0 HA GLU A 48 0.063 -5.805 -4.534 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.565 -6.192 -6.332 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.059 -4.727 -7.150 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.300 -5.823 -7.221 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.471 -7.313 -6.819 1.00 0.00 H new ATOM 713 N THR A 49 2.211 -4.718 -5.166 1.00 0.00 N ATOM 714 CA THR A 49 3.477 -4.019 -5.349 1.00 0.00 C ATOM 715 C THR A 49 4.641 -5.000 -5.420 1.00 0.00 C ATOM 716 O THR A 49 4.761 -5.897 -4.588 1.00 0.00 O ATOM 717 CB THR A 49 3.734 -3.016 -4.208 1.00 0.00 C ATOM 718 OG1 THR A 49 4.711 -2.051 -4.615 1.00 0.00 O ATOM 719 CG2 THR A 49 4.214 -3.733 -2.955 1.00 0.00 C ATOM 0 H THR A 49 2.303 -5.673 -4.820 1.00 0.00 H new ATOM 0 HA THR A 49 3.406 -3.476 -6.291 1.00 0.00 H new ATOM 0 HB THR A 49 2.796 -2.510 -3.981 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.266 -1.204 -4.826 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.389 -3.004 -2.163 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.456 -4.446 -2.631 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.142 -4.263 -3.172 1.00 0.00 H new ATOM 727 N ASN A 50 5.498 -4.822 -6.421 1.00 0.00 N ATOM 728 CA ASN A 50 6.655 -5.692 -6.600 1.00 0.00 C ATOM 729 C ASN A 50 6.217 -7.125 -6.888 1.00 0.00 C ATOM 730 O ASN A 50 6.934 -8.077 -6.583 1.00 0.00 O ATOM 731 CB ASN A 50 7.543 -5.658 -5.355 1.00 0.00 C ATOM 732 CG ASN A 50 8.756 -6.559 -5.486 1.00 0.00 C ATOM 733 OD1 ASN A 50 9.440 -6.553 -6.510 1.00 0.00 O ATOM 734 ND2 ASN A 50 9.028 -7.339 -4.446 1.00 0.00 N ATOM 0 H ASN A 50 5.413 -4.084 -7.120 1.00 0.00 H new ATOM 0 HA ASN A 50 7.225 -5.326 -7.454 1.00 0.00 H new ATOM 0 HB2 ASN A 50 7.872 -4.635 -5.174 1.00 0.00 H new ATOM 0 HB3 ASN A 50 6.959 -5.963 -4.487 1.00 0.00 H new ATOM 0 HD21 ASN A 50 9.832 -7.966 -4.475 1.00 0.00 H new ATOM 0 HD22 ASN A 50 8.433 -7.311 -3.618 1.00 0.00 H new ATOM 741 N GLY A 51 5.035 -7.270 -7.479 1.00 0.00 N ATOM 742 CA GLY A 51 4.522 -8.590 -7.798 1.00 0.00 C ATOM 743 C GLY A 51 4.085 -9.356 -6.566 1.00 0.00 C ATOM 744 O GLY A 51 4.234 -10.576 -6.500 1.00 0.00 O ATOM 0 H GLY A 51 4.424 -6.497 -7.743 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.677 -8.493 -8.480 1.00 0.00 H new ATOM 0 HA3 GLY A 51 5.291 -9.158 -8.322 1.00 0.00 H new ATOM 748 N ARG A 52 3.544 -8.639 -5.586 1.00 0.00 N ATOM 749 CA ARG A 52 3.086 -9.258 -4.349 1.00 0.00 C ATOM 750 C ARG A 52 1.702 -8.745 -3.963 1.00 0.00 C ATOM 751 O ARG A 52 1.507 -7.545 -3.767 1.00 0.00 O ATOM 752 CB ARG A 52 4.078 -8.982 -3.217 1.00 0.00 C ATOM 753 CG ARG A 52 5.440 -9.621 -3.431 1.00 0.00 C ATOM 754 CD ARG A 52 5.426 -11.097 -3.066 1.00 0.00 C ATOM 755 NE ARG A 52 5.420 -11.304 -1.621 1.00 0.00 N ATOM 756 CZ ARG A 52 4.976 -12.412 -1.038 1.00 0.00 C ATOM 757 NH1 ARG A 52 4.505 -13.409 -1.775 1.00 0.00 N ATOM 758 NH2 ARG A 52 5.004 -12.525 0.283 1.00 0.00 N ATOM 0 H ARG A 52 3.412 -7.628 -5.625 1.00 0.00 H new ATOM 0 HA ARG A 52 3.023 -10.334 -4.513 1.00 0.00 H new ATOM 0 HB2 ARG A 52 4.204 -7.905 -3.111 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.658 -9.348 -2.280 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.738 -9.506 -4.473 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.185 -9.103 -2.827 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.547 -11.570 -3.503 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.299 -11.585 -3.498 1.00 0.00 H new ATOM 0 HE ARG A 52 5.777 -10.556 -1.026 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.483 -13.326 -2.791 1.00 0.00 H new ATOM 0 HH12 ARG A 52 4.165 -14.259 -1.325 1.00 0.00 H new ATOM 0 HH21 ARG A 52 5.367 -11.761 0.853 1.00 0.00 H new ATOM 0 HH22 ARG A 52 4.663 -13.376 0.729 1.00 0.00 H new ATOM 772 N ILE A 53 0.745 -9.661 -3.858 1.00 0.00 N ATOM 773 CA ILE A 53 -0.620 -9.300 -3.496 1.00 0.00 C ATOM 774 C ILE A 53 -0.993 -9.863 -2.128 1.00 0.00 C ATOM 775 O ILE A 53 -0.851 -11.059 -1.878 1.00 0.00 O ATOM 776 CB ILE A 53 -1.632 -9.807 -4.540 1.00 0.00 C ATOM 777 CG1 ILE A 53 -1.469 -9.040 -5.854 1.00 0.00 C ATOM 778 CG2 ILE A 53 -3.052 -9.668 -4.012 1.00 0.00 C ATOM 779 CD1 ILE A 53 -0.469 -9.668 -6.800 1.00 0.00 C ATOM 0 H ILE A 53 0.890 -10.658 -4.018 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.660 -8.211 -3.462 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.438 -10.863 -4.730 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -2.437 -8.977 -6.351 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.157 -8.019 -5.633 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.756 -10.030 -4.761 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.160 -10.254 -3.099 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.259 -8.620 -3.797 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.405 -9.072 -7.710 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.510 -9.707 -6.322 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.790 -10.679 -7.051 1.00 0.00 H new ATOM 791 N GLY A 54 -1.473 -8.991 -1.247 1.00 0.00 N ATOM 792 CA GLY A 54 -1.861 -9.420 0.084 1.00 0.00 C ATOM 793 C GLY A 54 -2.394 -8.279 0.929 1.00 0.00 C ATOM 794 O GLY A 54 -2.639 -7.185 0.421 1.00 0.00 O ATOM 0 H GLY A 54 -1.600 -7.996 -1.431 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.623 -10.196 0.005 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -1.001 -9.867 0.583 1.00 0.00 H new ATOM 798 N TRP A 55 -2.574 -8.535 2.219 1.00 0.00 N ATOM 799 CA TRP A 55 -3.082 -7.520 3.136 1.00 0.00 C ATOM 800 C TRP A 55 -1.942 -6.698 3.725 1.00 0.00 C ATOM 801 O TRP A 55 -0.963 -7.248 4.231 1.00 0.00 O ATOM 802 CB TRP A 55 -3.888 -8.176 4.259 1.00 0.00 C ATOM 803 CG TRP A 55 -5.089 -8.926 3.768 1.00 0.00 C ATOM 804 CD1 TRP A 55 -5.208 -10.278 3.624 1.00 0.00 C ATOM 805 CD2 TRP A 55 -6.340 -8.364 3.356 1.00 0.00 C ATOM 806 NE1 TRP A 55 -6.458 -10.592 3.146 1.00 0.00 N ATOM 807 CE2 TRP A 55 -7.172 -9.436 2.974 1.00 0.00 C ATOM 808 CE3 TRP A 55 -6.840 -7.062 3.273 1.00 0.00 C ATOM 809 CZ2 TRP A 55 -8.473 -9.241 2.517 1.00 0.00 C ATOM 810 CZ3 TRP A 55 -8.131 -6.871 2.819 1.00 0.00 C ATOM 811 CH2 TRP A 55 -8.936 -7.956 2.447 1.00 0.00 C ATOM 0 H TRP A 55 -2.376 -9.436 2.654 1.00 0.00 H new ATOM 0 HA TRP A 55 -3.733 -6.851 2.573 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -3.241 -8.860 4.809 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -4.211 -7.408 4.962 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -4.434 -10.996 3.852 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -6.799 -11.533 2.951 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -6.228 -6.219 3.559 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -9.095 -10.075 2.228 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -8.526 -5.868 2.750 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -9.942 -7.774 2.098 1.00 0.00 H new ATOM 822 N PHE A 56 -2.074 -5.377 3.657 1.00 0.00 N ATOM 823 CA PHE A 56 -1.053 -4.479 4.183 1.00 0.00 C ATOM 824 C PHE A 56 -1.678 -3.405 5.069 1.00 0.00 C ATOM 825 O PHE A 56 -2.778 -2.916 4.813 1.00 0.00 O ATOM 826 CB PHE A 56 -0.279 -3.824 3.037 1.00 0.00 C ATOM 827 CG PHE A 56 -1.055 -2.752 2.326 1.00 0.00 C ATOM 828 CD1 PHE A 56 -1.034 -1.444 2.783 1.00 0.00 C ATOM 829 CD2 PHE A 56 -1.805 -3.052 1.201 1.00 0.00 C ATOM 830 CE1 PHE A 56 -1.746 -0.455 2.131 1.00 0.00 C ATOM 831 CE2 PHE A 56 -2.519 -2.068 0.544 1.00 0.00 C ATOM 832 CZ PHE A 56 -2.491 -0.768 1.011 1.00 0.00 C ATOM 0 H PHE A 56 -2.878 -4.905 3.243 1.00 0.00 H new ATOM 0 HA PHE A 56 -0.363 -5.068 4.787 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.642 -3.394 3.430 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.008 -4.591 2.318 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.454 -1.194 3.659 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.832 -4.067 0.833 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.720 0.561 2.497 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -3.098 -2.315 -0.333 1.00 0.00 H new ATOM 0 HZ PHE A 56 -3.051 0.002 0.501 1.00 0.00 H new ATOM 842 N PRO A 57 -0.959 -3.029 6.138 1.00 0.00 N ATOM 843 CA PRO A 57 -1.423 -2.009 7.084 1.00 0.00 C ATOM 844 C PRO A 57 -1.429 -0.612 6.473 1.00 0.00 C ATOM 845 O PRO A 57 -0.389 -0.100 6.060 1.00 0.00 O ATOM 846 CB PRO A 57 -0.402 -2.091 8.222 1.00 0.00 C ATOM 847 CG PRO A 57 0.830 -2.636 7.586 1.00 0.00 C ATOM 848 CD PRO A 57 0.360 -3.569 6.504 1.00 0.00 C ATOM 0 HA PRO A 57 -2.451 -2.184 7.402 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.220 -1.111 8.662 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.754 -2.740 9.024 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.442 -1.835 7.172 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.445 -3.163 8.315 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.042 -3.574 5.654 1.00 0.00 H new ATOM 0 HD3 PRO A 57 0.289 -4.596 6.862 1.00 0.00 H new ATOM 856 N SER A 58 -2.608 0.000 6.420 1.00 0.00 N ATOM 857 CA SER A 58 -2.750 1.338 5.856 1.00 0.00 C ATOM 858 C SER A 58 -2.051 2.373 6.733 1.00 0.00 C ATOM 859 O SER A 58 -1.561 3.391 6.242 1.00 0.00 O ATOM 860 CB SER A 58 -4.229 1.696 5.705 1.00 0.00 C ATOM 861 OG SER A 58 -4.889 1.678 6.959 1.00 0.00 O ATOM 0 H SER A 58 -3.478 -0.409 6.760 1.00 0.00 H new ATOM 0 HA SER A 58 -2.280 1.343 4.872 1.00 0.00 H new ATOM 0 HB2 SER A 58 -4.323 2.684 5.255 1.00 0.00 H new ATOM 0 HB3 SER A 58 -4.710 0.990 5.027 1.00 0.00 H new ATOM 0 HG SER A 58 -5.833 1.912 6.835 1.00 0.00 H new ATOM 867 N THR A 59 -2.009 2.106 8.034 1.00 0.00 N ATOM 868 CA THR A 59 -1.373 3.013 8.981 1.00 0.00 C ATOM 869 C THR A 59 0.125 3.121 8.717 1.00 0.00 C ATOM 870 O THR A 59 0.794 4.013 9.238 1.00 0.00 O ATOM 871 CB THR A 59 -1.595 2.556 10.434 1.00 0.00 C ATOM 872 OG1 THR A 59 -1.218 1.182 10.578 1.00 0.00 O ATOM 873 CG2 THR A 59 -3.050 2.733 10.841 1.00 0.00 C ATOM 0 H THR A 59 -2.408 1.268 8.456 1.00 0.00 H new ATOM 0 HA THR A 59 -1.836 3.990 8.842 1.00 0.00 H new ATOM 0 HB THR A 59 -0.975 3.173 11.084 1.00 0.00 H new ATOM 0 HG1 THR A 59 -1.360 0.899 11.505 1.00 0.00 H new ATOM 0 HG21 THR A 59 -3.182 2.403 11.872 1.00 0.00 H new ATOM 0 HG22 THR A 59 -3.326 3.784 10.758 1.00 0.00 H new ATOM 0 HG23 THR A 59 -3.686 2.138 10.185 1.00 0.00 H new ATOM 881 N TYR A 60 0.645 2.207 7.905 1.00 0.00 N ATOM 882 CA TYR A 60 2.065 2.198 7.574 1.00 0.00 C ATOM 883 C TYR A 60 2.324 2.945 6.269 1.00 0.00 C ATOM 884 O TYR A 60 3.463 3.291 5.954 1.00 0.00 O ATOM 885 CB TYR A 60 2.575 0.760 7.462 1.00 0.00 C ATOM 886 CG TYR A 60 3.014 0.169 8.782 1.00 0.00 C ATOM 887 CD1 TYR A 60 2.129 0.063 9.847 1.00 0.00 C ATOM 888 CD2 TYR A 60 4.315 -0.285 8.963 1.00 0.00 C ATOM 889 CE1 TYR A 60 2.527 -0.476 11.056 1.00 0.00 C ATOM 890 CE2 TYR A 60 4.721 -0.827 10.167 1.00 0.00 C ATOM 891 CZ TYR A 60 3.823 -0.920 11.211 1.00 0.00 C ATOM 892 OH TYR A 60 4.223 -1.459 12.412 1.00 0.00 O ATOM 0 H TYR A 60 0.104 1.463 7.464 1.00 0.00 H new ATOM 0 HA TYR A 60 2.603 2.705 8.375 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.788 0.136 7.038 1.00 0.00 H new ATOM 0 HB3 TYR A 60 3.413 0.734 6.765 1.00 0.00 H new ATOM 0 HD1 TYR A 60 1.112 0.408 9.729 1.00 0.00 H new ATOM 0 HD2 TYR A 60 5.021 -0.213 8.149 1.00 0.00 H new ATOM 0 HE1 TYR A 60 1.827 -0.549 11.875 1.00 0.00 H new ATOM 0 HE2 TYR A 60 5.736 -1.176 10.291 1.00 0.00 H new ATOM 0 HH TYR A 60 5.165 -1.724 12.354 1.00 0.00 H new ATOM 902 N VAL A 61 1.258 3.191 5.514 1.00 0.00 N ATOM 903 CA VAL A 61 1.369 3.899 4.244 1.00 0.00 C ATOM 904 C VAL A 61 0.609 5.220 4.283 1.00 0.00 C ATOM 905 O VAL A 61 0.003 5.568 5.296 1.00 0.00 O ATOM 906 CB VAL A 61 0.834 3.046 3.078 1.00 0.00 C ATOM 907 CG1 VAL A 61 1.303 1.605 3.211 1.00 0.00 C ATOM 908 CG2 VAL A 61 -0.685 3.117 3.020 1.00 0.00 C ATOM 0 H VAL A 61 0.308 2.911 5.759 1.00 0.00 H new ATOM 0 HA VAL A 61 2.429 4.098 4.083 1.00 0.00 H new ATOM 0 HB VAL A 61 1.230 3.447 2.145 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.915 1.018 2.379 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.393 1.575 3.200 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.938 1.189 4.150 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.046 2.509 2.191 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.103 2.742 3.954 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.996 4.152 2.874 1.00 0.00 H new ATOM 918 N GLU A 62 0.645 5.950 3.173 1.00 0.00 N ATOM 919 CA GLU A 62 -0.040 7.234 3.081 1.00 0.00 C ATOM 920 C GLU A 62 -0.641 7.432 1.693 1.00 0.00 C ATOM 921 O GLU A 62 0.036 7.254 0.681 1.00 0.00 O ATOM 922 CB GLU A 62 0.927 8.377 3.398 1.00 0.00 C ATOM 923 CG GLU A 62 0.243 9.724 3.567 1.00 0.00 C ATOM 924 CD GLU A 62 1.215 10.831 3.922 1.00 0.00 C ATOM 925 OE1 GLU A 62 2.278 10.920 3.273 1.00 0.00 O ATOM 926 OE2 GLU A 62 0.912 11.610 4.851 1.00 0.00 O ATOM 0 H GLU A 62 1.141 5.675 2.325 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.849 7.238 3.812 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.471 8.138 4.312 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.664 8.451 2.598 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.275 9.983 2.643 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.515 9.647 4.347 1.00 0.00 H new ATOM 933 N GLU A 63 -1.918 7.800 1.654 1.00 0.00 N ATOM 934 CA GLU A 63 -2.611 8.020 0.390 1.00 0.00 C ATOM 935 C GLU A 63 -2.115 9.294 -0.287 1.00 0.00 C ATOM 936 O GLU A 63 -2.375 10.401 0.184 1.00 0.00 O ATOM 937 CB GLU A 63 -4.122 8.106 0.620 1.00 0.00 C ATOM 938 CG GLU A 63 -4.785 6.754 0.817 1.00 0.00 C ATOM 939 CD GLU A 63 -6.282 6.865 1.035 1.00 0.00 C ATOM 940 OE1 GLU A 63 -6.693 7.523 2.013 1.00 0.00 O ATOM 941 OE2 GLU A 63 -7.042 6.293 0.225 1.00 0.00 O ATOM 0 H GLU A 63 -2.493 7.952 2.483 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.398 7.175 -0.264 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.313 8.726 1.496 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -4.583 8.607 -0.232 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.594 6.129 -0.055 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.333 6.253 1.673 1.00 0.00 H new ATOM 948 N GLU A 64 -1.399 9.128 -1.395 1.00 0.00 N ATOM 949 CA GLU A 64 -0.866 10.265 -2.137 1.00 0.00 C ATOM 950 C GLU A 64 -1.991 11.077 -2.772 1.00 0.00 C ATOM 951 O GLU A 64 -3.108 10.589 -2.933 1.00 0.00 O ATOM 952 CB GLU A 64 0.106 9.786 -3.217 1.00 0.00 C ATOM 953 CG GLU A 64 1.313 9.046 -2.666 1.00 0.00 C ATOM 954 CD GLU A 64 2.411 8.871 -3.697 1.00 0.00 C ATOM 955 OE1 GLU A 64 2.090 8.536 -4.856 1.00 0.00 O ATOM 956 OE2 GLU A 64 3.593 9.071 -3.343 1.00 0.00 O ATOM 0 H GLU A 64 -1.175 8.218 -1.798 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.332 10.906 -1.436 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.426 9.132 -3.908 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.449 10.646 -3.792 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.708 9.591 -1.809 1.00 0.00 H new ATOM 0 HG3 GLU A 64 1.000 8.067 -2.304 1.00 0.00 H new