USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 857 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 1 MET CE :methyl -163:sc=-0.000411 (180deg=-0.455) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -1.09 K(o=-1.1,f=-2.2!) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.417 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 120:sc= -5.38! USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.0258 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.276 K(o=-0.28,f=-1.5!) USER MOD Single : A 35 SER OG : rot 36:sc= 0.107 USER MOD Single : A 48 ASN : amide:sc= -0.859 K(o=-0.86,f=-6.1!) USER MOD Single : A 50 SER OG : rot -71:sc= 0.998 USER MOD Single : A 51 TYR OH : rot -27:sc= 0.892 USER MOD Single : A 54 GLN : amide:sc= -0.669 K(o=-0.67,f=-8.7!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= -0.486 USER MOD Single : A 64 SER OG : rot 180:sc=8.66e-05 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.334 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.67 USER MOD Single : A 87 ASN : amide:sc= -6.82! C(o=-6.8!,f=-3.6!) USER MOD Single : A 94 SER OG : rot -67:sc= 0.0383 USER MOD Single : A 100 SER OG : rot 180:sc= -0.357 USER MOD Single : A 101 CYS SG : rot 180:sc= 0 USER MOD Single : A 102 HIS : no HE2:sc= -6.01! C(o=-6!,f=-6.9!) USER MOD Single : A 114 ASN : amide:sc= -0.687 K(o=-0.69,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.859 6.476 -2.668 1.00 0.00 N ATOM 2 CA MET A 1 -12.693 7.293 -2.245 1.00 0.00 C ATOM 3 C MET A 1 -13.085 8.756 -2.053 1.00 0.00 C ATOM 4 O MET A 1 -14.093 9.214 -2.589 1.00 0.00 O ATOM 5 CB MET A 1 -11.601 7.175 -3.311 1.00 0.00 C ATOM 6 CG MET A 1 -10.197 7.091 -2.737 1.00 0.00 C ATOM 7 SD MET A 1 -8.939 7.694 -3.880 1.00 0.00 S ATOM 8 CE MET A 1 -9.437 6.876 -5.394 1.00 0.00 C ATOM 0 H1 MET A 1 -13.563 5.487 -2.791 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.601 6.528 -1.941 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.230 6.841 -3.568 1.00 0.00 H new ATOM 0 HA MET A 1 -12.326 6.923 -1.288 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.790 6.289 -3.917 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.661 8.035 -3.978 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.151 7.670 -1.815 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.978 6.056 -2.475 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.613 6.896 -6.107 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.704 5.842 -5.178 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.298 7.392 -5.820 1.00 0.00 H new ATOM 20 N ALA A 2 -12.280 9.482 -1.284 1.00 0.00 N ATOM 21 CA ALA A 2 -12.543 10.892 -1.019 1.00 0.00 C ATOM 22 C ALA A 2 -11.266 11.718 -1.139 1.00 0.00 C ATOM 23 O ALA A 2 -10.343 11.570 -0.338 1.00 0.00 O ATOM 24 CB ALA A 2 -13.157 11.064 0.362 1.00 0.00 C ATOM 0 H ALA A 2 -11.441 9.118 -0.834 1.00 0.00 H new ATOM 0 HA ALA A 2 -13.251 11.252 -1.766 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -13.348 12.121 0.546 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -14.095 10.511 0.415 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -12.469 10.683 1.116 1.00 0.00 H new ATOM 30 N ASP A 3 -11.221 12.589 -2.142 1.00 0.00 N ATOM 31 CA ASP A 3 -10.055 13.436 -2.364 1.00 0.00 C ATOM 32 C ASP A 3 -10.303 14.852 -1.854 1.00 0.00 C ATOM 33 O ASP A 3 -9.623 15.319 -0.939 1.00 0.00 O ATOM 34 CB ASP A 3 -9.705 13.474 -3.853 1.00 0.00 C ATOM 35 CG ASP A 3 -8.364 12.830 -4.148 1.00 0.00 C ATOM 36 OD1 ASP A 3 -8.238 11.603 -3.944 1.00 0.00 O ATOM 37 OD2 ASP A 3 -7.441 13.549 -4.583 1.00 0.00 O ATOM 0 H ASP A 3 -11.977 12.727 -2.813 1.00 0.00 H new ATOM 0 HA ASP A 3 -9.218 13.011 -1.809 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -10.483 12.963 -4.420 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -9.691 14.509 -4.194 1.00 0.00 H new ATOM 42 N PHE A 4 -11.276 15.531 -2.450 1.00 0.00 N ATOM 43 CA PHE A 4 -11.609 16.895 -2.055 1.00 0.00 C ATOM 44 C PHE A 4 -12.391 16.909 -0.746 1.00 0.00 C ATOM 45 O PHE A 4 -13.253 16.061 -0.518 1.00 0.00 O ATOM 46 CB PHE A 4 -12.420 17.584 -3.154 1.00 0.00 C ATOM 47 CG PHE A 4 -12.841 18.982 -2.801 1.00 0.00 C ATOM 48 CD1 PHE A 4 -11.894 19.970 -2.581 1.00 0.00 C ATOM 49 CD2 PHE A 4 -14.183 19.306 -2.683 1.00 0.00 C ATOM 50 CE1 PHE A 4 -12.278 21.256 -2.253 1.00 0.00 C ATOM 51 CE2 PHE A 4 -14.573 20.592 -2.357 1.00 0.00 C ATOM 52 CZ PHE A 4 -13.619 21.568 -2.141 1.00 0.00 C ATOM 0 H PHE A 4 -11.848 15.160 -3.208 1.00 0.00 H new ATOM 0 HA PHE A 4 -10.677 17.439 -1.905 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -11.828 17.611 -4.069 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -13.308 16.989 -3.367 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -10.844 19.732 -2.667 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -14.932 18.546 -2.847 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -11.530 22.017 -2.084 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -15.622 20.833 -2.271 1.00 0.00 H new ATOM 0 HZ PHE A 4 -13.921 22.573 -1.885 1.00 0.00 H new ATOM 62 N ASP A 5 -12.085 17.880 0.108 1.00 0.00 N ATOM 63 CA ASP A 5 -12.760 18.007 1.395 1.00 0.00 C ATOM 64 C ASP A 5 -12.249 19.226 2.157 1.00 0.00 C ATOM 65 O ASP A 5 -11.053 19.350 2.418 1.00 0.00 O ATOM 66 CB ASP A 5 -12.551 16.743 2.230 1.00 0.00 C ATOM 67 CG ASP A 5 -11.086 16.377 2.369 1.00 0.00 C ATOM 68 OD1 ASP A 5 -10.463 16.029 1.344 1.00 0.00 O ATOM 69 OD2 ASP A 5 -10.563 16.439 3.500 1.00 0.00 O ATOM 0 H ASP A 5 -11.374 18.590 -0.067 1.00 0.00 H new ATOM 0 HA ASP A 5 -13.826 18.138 1.209 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -12.981 16.890 3.221 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -13.088 15.914 1.769 1.00 0.00 H new ATOM 74 N ASN A 6 -13.163 20.124 2.510 1.00 0.00 N ATOM 75 CA ASN A 6 -12.804 21.336 3.235 1.00 0.00 C ATOM 76 C ASN A 6 -13.096 21.193 4.726 1.00 0.00 C ATOM 77 O ASN A 6 -12.186 21.244 5.553 1.00 0.00 O ATOM 78 CB ASN A 6 -13.564 22.537 2.669 1.00 0.00 C ATOM 79 CG ASN A 6 -13.067 22.941 1.295 1.00 0.00 C ATOM 80 OD1 ASN A 6 -13.835 22.997 0.335 1.00 0.00 O ATOM 81 ND2 ASN A 6 -11.773 23.223 1.194 1.00 0.00 N ATOM 0 H ASN A 6 -14.158 20.034 2.305 1.00 0.00 H new ATOM 0 HA ASN A 6 -11.733 21.497 3.109 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -14.626 22.297 2.612 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -13.464 23.381 3.351 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -11.380 23.499 0.294 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -11.172 23.164 2.016 1.00 0.00 H new ATOM 88 N LEU A 7 -14.370 21.021 5.062 1.00 0.00 N ATOM 89 CA LEU A 7 -14.780 20.883 6.455 1.00 0.00 C ATOM 90 C LEU A 7 -15.429 19.525 6.706 1.00 0.00 C ATOM 91 O LEU A 7 -16.486 19.438 7.331 1.00 0.00 O ATOM 92 CB LEU A 7 -15.754 22.001 6.833 1.00 0.00 C ATOM 93 CG LEU A 7 -15.343 23.400 6.367 1.00 0.00 C ATOM 94 CD1 LEU A 7 -16.189 23.835 5.181 1.00 0.00 C ATOM 95 CD2 LEU A 7 -15.465 24.398 7.509 1.00 0.00 C ATOM 0 H LEU A 7 -15.136 20.974 4.390 1.00 0.00 H new ATOM 0 HA LEU A 7 -13.887 20.957 7.076 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -16.733 21.767 6.414 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -15.866 22.014 7.917 1.00 0.00 H new ATOM 0 HG LEU A 7 -14.301 23.368 6.050 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -15.884 24.832 4.862 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -16.051 23.133 4.359 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -17.240 23.853 5.471 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -15.169 25.388 7.161 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -16.498 24.429 7.856 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -14.816 24.093 8.330 1.00 0.00 H new ATOM 107 N PHE A 8 -14.787 18.468 6.221 1.00 0.00 N ATOM 108 CA PHE A 8 -15.299 17.114 6.400 1.00 0.00 C ATOM 109 C PHE A 8 -16.623 16.925 5.666 1.00 0.00 C ATOM 110 O PHE A 8 -16.681 16.256 4.635 1.00 0.00 O ATOM 111 CB PHE A 8 -15.482 16.808 7.888 1.00 0.00 C ATOM 112 CG PHE A 8 -14.912 15.482 8.303 1.00 0.00 C ATOM 113 CD1 PHE A 8 -15.074 14.363 7.502 1.00 0.00 C ATOM 114 CD2 PHE A 8 -14.216 15.354 9.494 1.00 0.00 C ATOM 115 CE1 PHE A 8 -14.552 13.140 7.882 1.00 0.00 C ATOM 116 CE2 PHE A 8 -13.691 14.135 9.878 1.00 0.00 C ATOM 117 CZ PHE A 8 -13.860 13.027 9.071 1.00 0.00 C ATOM 0 H PHE A 8 -13.911 18.522 5.701 1.00 0.00 H new ATOM 0 HA PHE A 8 -14.570 16.422 5.978 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -15.009 17.597 8.473 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -16.545 16.828 8.126 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -15.614 14.447 6.570 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -14.082 16.217 10.130 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -14.686 12.275 7.250 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -13.149 14.049 10.808 1.00 0.00 H new ATOM 0 HZ PHE A 8 -13.451 12.073 9.370 1.00 0.00 H new ATOM 127 N ASP A 9 -17.686 17.513 6.208 1.00 0.00 N ATOM 128 CA ASP A 9 -19.008 17.403 5.604 1.00 0.00 C ATOM 129 C ASP A 9 -19.915 18.540 6.066 1.00 0.00 C ATOM 130 O ASP A 9 -20.057 19.551 5.377 1.00 0.00 O ATOM 131 CB ASP A 9 -19.642 16.056 5.956 1.00 0.00 C ATOM 132 CG ASP A 9 -19.716 15.123 4.763 1.00 0.00 C ATOM 133 OD1 ASP A 9 -18.771 15.127 3.948 1.00 0.00 O ATOM 134 OD2 ASP A 9 -20.721 14.390 4.646 1.00 0.00 O ATOM 0 H ASP A 9 -17.657 18.069 7.063 1.00 0.00 H new ATOM 0 HA ASP A 9 -18.892 17.472 4.522 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -19.064 15.582 6.749 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -20.646 16.221 6.348 1.00 0.00 H new ATOM 139 N ALA A 10 -20.529 18.369 7.233 1.00 0.00 N ATOM 140 CA ALA A 10 -21.420 19.385 7.780 1.00 0.00 C ATOM 141 C ALA A 10 -20.640 20.452 8.528 1.00 0.00 C ATOM 142 O ALA A 10 -20.885 20.711 9.705 1.00 0.00 O ATOM 143 CB ALA A 10 -22.464 18.748 8.686 1.00 0.00 C ATOM 0 H ALA A 10 -20.426 17.539 7.816 1.00 0.00 H new ATOM 0 HA ALA A 10 -21.933 19.867 6.948 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -23.120 19.522 9.085 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -23.054 18.032 8.114 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -21.967 18.234 9.509 1.00 0.00 H new ATOM 149 N ALA A 11 -19.715 21.085 7.822 1.00 0.00 N ATOM 150 CA ALA A 11 -18.896 22.134 8.402 1.00 0.00 C ATOM 151 C ALA A 11 -18.175 21.645 9.655 1.00 0.00 C ATOM 152 O ALA A 11 -17.768 22.445 10.499 1.00 0.00 O ATOM 153 CB ALA A 11 -19.746 23.354 8.721 1.00 0.00 C ATOM 0 H ALA A 11 -19.514 20.888 6.842 1.00 0.00 H new ATOM 0 HA ALA A 11 -18.140 22.414 7.668 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -19.118 24.132 9.155 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -20.205 23.727 7.805 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -20.526 23.079 9.431 1.00 0.00 H new ATOM 159 N ILE A 12 -18.020 20.328 9.776 1.00 0.00 N ATOM 160 CA ILE A 12 -17.352 19.743 10.932 1.00 0.00 C ATOM 161 C ILE A 12 -17.290 18.223 10.823 1.00 0.00 C ATOM 162 O ILE A 12 -16.272 17.609 11.147 1.00 0.00 O ATOM 163 CB ILE A 12 -18.063 20.130 12.244 1.00 0.00 C ATOM 164 CG1 ILE A 12 -17.221 19.709 13.454 1.00 0.00 C ATOM 165 CG2 ILE A 12 -19.452 19.506 12.306 1.00 0.00 C ATOM 166 CD1 ILE A 12 -17.265 18.224 13.749 1.00 0.00 C ATOM 0 H ILE A 12 -18.348 19.649 9.089 1.00 0.00 H new ATOM 0 HA ILE A 12 -16.337 20.141 10.948 1.00 0.00 H new ATOM 0 HB ILE A 12 -18.178 21.214 12.268 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -16.186 20.005 13.284 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -17.568 20.254 14.332 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -19.938 19.791 13.239 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -20.048 19.860 11.464 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -19.366 18.420 12.259 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -16.644 18.007 14.618 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -18.293 17.924 13.953 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -16.889 17.671 12.888 1.00 0.00 H new ATOM 178 N ALA A 13 -18.389 17.617 10.379 1.00 0.00 N ATOM 179 CA ALA A 13 -18.466 16.165 10.232 1.00 0.00 C ATOM 180 C ALA A 13 -19.896 15.721 9.947 1.00 0.00 C ATOM 181 O ALA A 13 -20.835 16.511 10.047 1.00 0.00 O ATOM 182 CB ALA A 13 -17.940 15.472 11.483 1.00 0.00 C ATOM 0 H ALA A 13 -19.241 18.111 10.114 1.00 0.00 H new ATOM 0 HA ALA A 13 -17.843 15.880 9.385 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -18.005 14.392 11.355 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -16.900 15.756 11.646 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -18.538 15.772 12.344 1.00 0.00 H new ATOM 188 N ARG A 14 -20.055 14.448 9.598 1.00 0.00 N ATOM 189 CA ARG A 14 -21.372 13.895 9.304 1.00 0.00 C ATOM 190 C ARG A 14 -21.263 12.440 8.858 1.00 0.00 C ATOM 191 O ARG A 14 -21.993 11.997 7.971 1.00 0.00 O ATOM 192 CB ARG A 14 -22.066 14.721 8.220 1.00 0.00 C ATOM 193 CG ARG A 14 -23.516 15.051 8.540 1.00 0.00 C ATOM 194 CD ARG A 14 -24.350 15.182 7.275 1.00 0.00 C ATOM 195 NE ARG A 14 -25.376 14.147 7.186 1.00 0.00 N ATOM 196 CZ ARG A 14 -26.399 14.049 8.028 1.00 0.00 C ATOM 197 NH1 ARG A 14 -26.528 14.920 9.020 1.00 0.00 N ATOM 198 NH2 ARG A 14 -27.293 13.080 7.881 1.00 0.00 N ATOM 0 H ARG A 14 -19.288 13.781 9.512 1.00 0.00 H new ATOM 0 HA ARG A 14 -21.967 13.934 10.217 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -21.515 15.650 8.074 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -22.026 14.175 7.278 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -23.936 14.271 9.175 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -23.562 15.982 9.106 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -24.823 16.164 7.253 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -23.698 15.122 6.403 1.00 0.00 H new ATOM 0 HE ARG A 14 -25.303 13.461 6.435 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -25.842 15.665 9.137 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -27.314 14.844 9.666 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -27.196 12.408 7.120 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -28.077 13.007 8.529 1.00 0.00 H new ATOM 212 N ALA A 15 -20.349 11.702 9.480 1.00 0.00 N ATOM 213 CA ALA A 15 -20.142 10.298 9.143 1.00 0.00 C ATOM 214 C ALA A 15 -20.809 9.382 10.164 1.00 0.00 C ATOM 215 O ALA A 15 -21.552 9.839 11.033 1.00 0.00 O ATOM 216 CB ALA A 15 -18.656 9.992 9.049 1.00 0.00 C ATOM 0 H ALA A 15 -19.740 12.053 10.220 1.00 0.00 H new ATOM 0 HA ALA A 15 -20.603 10.112 8.173 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -18.516 8.941 8.797 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -18.205 10.614 8.276 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -18.180 10.202 10.007 1.00 0.00 H new ATOM 222 N ASP A 16 -20.537 8.086 10.053 1.00 0.00 N ATOM 223 CA ASP A 16 -21.110 7.102 10.965 1.00 0.00 C ATOM 224 C ASP A 16 -20.031 6.172 11.511 1.00 0.00 C ATOM 225 O ASP A 16 -18.855 6.302 11.172 1.00 0.00 O ATOM 226 CB ASP A 16 -22.188 6.285 10.252 1.00 0.00 C ATOM 227 CG ASP A 16 -23.567 6.900 10.388 1.00 0.00 C ATOM 228 OD1 ASP A 16 -23.725 7.825 11.211 1.00 0.00 O ATOM 229 OD2 ASP A 16 -24.488 6.457 9.670 1.00 0.00 O ATOM 0 H ASP A 16 -19.923 7.692 9.340 1.00 0.00 H new ATOM 0 HA ASP A 16 -21.560 7.637 11.801 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -21.935 6.199 9.195 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -22.203 5.274 10.660 1.00 0.00 H new ATOM 234 N GLU A 17 -20.441 5.233 12.356 1.00 0.00 N ATOM 235 CA GLU A 17 -19.511 4.277 12.946 1.00 0.00 C ATOM 236 C GLU A 17 -19.570 2.941 12.214 1.00 0.00 C ATOM 237 O GLU A 17 -20.489 2.690 11.434 1.00 0.00 O ATOM 238 CB GLU A 17 -19.828 4.074 14.429 1.00 0.00 C ATOM 239 CG GLU A 17 -18.836 4.752 15.361 1.00 0.00 C ATOM 240 CD GLU A 17 -19.209 4.597 16.822 1.00 0.00 C ATOM 241 OE1 GLU A 17 -20.037 3.715 17.133 1.00 0.00 O ATOM 242 OE2 GLU A 17 -18.673 5.359 17.654 1.00 0.00 O ATOM 0 H GLU A 17 -21.411 5.113 12.648 1.00 0.00 H new ATOM 0 HA GLU A 17 -18.503 4.680 12.850 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -20.827 4.458 14.634 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -19.846 3.006 14.645 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -17.844 4.332 15.197 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -18.778 5.812 15.115 1.00 0.00 H new ATOM 249 N THR A 18 -18.583 2.088 12.468 1.00 0.00 N ATOM 250 CA THR A 18 -18.524 0.778 11.831 1.00 0.00 C ATOM 251 C THR A 18 -18.300 0.911 10.328 1.00 0.00 C ATOM 252 O THR A 18 -18.656 0.020 9.556 1.00 0.00 O ATOM 253 CB THR A 18 -19.814 -0.001 12.098 1.00 0.00 C ATOM 254 OG1 THR A 18 -20.482 0.513 13.237 1.00 0.00 O ATOM 255 CG2 THR A 18 -19.586 -1.480 12.326 1.00 0.00 C ATOM 0 H THR A 18 -17.814 2.280 13.110 1.00 0.00 H new ATOM 0 HA THR A 18 -17.682 0.233 12.258 1.00 0.00 H new ATOM 0 HB THR A 18 -20.417 0.121 11.198 1.00 0.00 H new ATOM 0 HG1 THR A 18 -21.305 0.004 13.391 1.00 0.00 H new ATOM 0 HG21 THR A 18 -20.542 -1.971 12.509 1.00 0.00 H new ATOM 0 HG22 THR A 18 -19.117 -1.916 11.444 1.00 0.00 H new ATOM 0 HG23 THR A 18 -18.935 -1.619 13.189 1.00 0.00 H new ATOM 263 N ILE A 19 -17.710 2.029 9.917 1.00 0.00 N ATOM 264 CA ILE A 19 -17.443 2.278 8.507 1.00 0.00 C ATOM 265 C ILE A 19 -16.617 3.547 8.322 1.00 0.00 C ATOM 266 O ILE A 19 -17.110 4.554 7.813 1.00 0.00 O ATOM 267 CB ILE A 19 -18.748 2.407 7.699 1.00 0.00 C ATOM 268 CG1 ILE A 19 -18.438 2.640 6.219 1.00 0.00 C ATOM 269 CG2 ILE A 19 -19.604 3.536 8.249 1.00 0.00 C ATOM 270 CD1 ILE A 19 -19.413 1.960 5.282 1.00 0.00 C ATOM 0 H ILE A 19 -17.408 2.777 10.542 1.00 0.00 H new ATOM 0 HA ILE A 19 -16.880 1.421 8.136 1.00 0.00 H new ATOM 0 HB ILE A 19 -19.307 1.476 7.792 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -18.443 3.712 6.020 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -17.431 2.280 6.006 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -20.522 3.613 7.667 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -19.851 3.331 9.291 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -19.053 4.475 8.185 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -19.131 2.169 4.250 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -19.392 0.884 5.453 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -20.419 2.337 5.467 1.00 0.00 H new ATOM 282 N ARG A 20 -15.356 3.493 8.743 1.00 0.00 N ATOM 283 CA ARG A 20 -14.462 4.639 8.629 1.00 0.00 C ATOM 284 C ARG A 20 -13.183 4.262 7.888 1.00 0.00 C ATOM 285 O ARG A 20 -12.897 4.793 6.815 1.00 0.00 O ATOM 286 CB ARG A 20 -14.118 5.184 10.016 1.00 0.00 C ATOM 287 CG ARG A 20 -13.858 6.681 10.034 1.00 0.00 C ATOM 288 CD ARG A 20 -12.635 7.025 10.867 1.00 0.00 C ATOM 289 NE ARG A 20 -11.527 7.497 10.043 1.00 0.00 N ATOM 290 CZ ARG A 20 -10.473 8.146 10.528 1.00 0.00 C ATOM 291 NH1 ARG A 20 -10.386 8.394 11.828 1.00 0.00 N ATOM 292 NH2 ARG A 20 -9.505 8.545 9.715 1.00 0.00 N ATOM 0 H ARG A 20 -14.931 2.668 9.166 1.00 0.00 H new ATOM 0 HA ARG A 20 -14.976 5.412 8.058 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -14.936 4.958 10.699 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -13.236 4.666 10.392 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -13.717 7.039 9.014 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -14.730 7.198 10.435 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -12.897 7.792 11.596 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -12.320 6.146 11.429 1.00 0.00 H new ATOM 0 HE ARG A 20 -11.563 7.319 9.039 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -11.128 8.087 12.457 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.577 8.892 12.199 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.568 8.354 8.715 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.697 9.043 10.089 1.00 0.00 H new ATOM 306 N GLY A 21 -12.417 3.346 8.468 1.00 0.00 N ATOM 307 CA GLY A 21 -11.174 2.921 7.851 1.00 0.00 C ATOM 308 C GLY A 21 -11.200 1.465 7.430 1.00 0.00 C ATOM 309 O GLY A 21 -11.550 0.589 8.220 1.00 0.00 O ATOM 0 H GLY A 21 -12.634 2.890 9.354 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -10.974 3.544 6.979 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -10.353 3.078 8.551 1.00 0.00 H new ATOM 313 N TYR A 22 -10.823 1.206 6.182 1.00 0.00 N ATOM 314 CA TYR A 22 -10.799 -0.155 5.655 1.00 0.00 C ATOM 315 C TYR A 22 -9.390 -0.544 5.222 1.00 0.00 C ATOM 316 O TYR A 22 -8.493 0.297 5.161 1.00 0.00 O ATOM 317 CB TYR A 22 -11.761 -0.285 4.474 1.00 0.00 C ATOM 318 CG TYR A 22 -12.982 -1.126 4.774 1.00 0.00 C ATOM 319 CD1 TYR A 22 -12.879 -2.502 4.929 1.00 0.00 C ATOM 320 CD2 TYR A 22 -14.236 -0.543 4.898 1.00 0.00 C ATOM 321 CE1 TYR A 22 -13.992 -3.275 5.201 1.00 0.00 C ATOM 322 CE2 TYR A 22 -15.354 -1.309 5.171 1.00 0.00 C ATOM 323 CZ TYR A 22 -15.228 -2.673 5.321 1.00 0.00 C ATOM 324 OH TYR A 22 -16.339 -3.439 5.593 1.00 0.00 O ATOM 0 H TYR A 22 -10.530 1.921 5.516 1.00 0.00 H new ATOM 0 HA TYR A 22 -11.117 -0.831 6.449 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -12.083 0.710 4.168 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -11.228 -0.722 3.629 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -11.913 -2.976 4.835 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -14.340 0.525 4.779 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -13.895 -4.344 5.319 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -16.322 -0.840 5.266 1.00 0.00 H new ATOM 0 HH TYR A 22 -17.129 -2.862 5.647 1.00 0.00 H new ATOM 334 N MET A 23 -9.201 -1.824 4.921 1.00 0.00 N ATOM 335 CA MET A 23 -7.899 -2.325 4.498 1.00 0.00 C ATOM 336 C MET A 23 -7.812 -2.405 2.978 1.00 0.00 C ATOM 337 O MET A 23 -7.817 -3.492 2.400 1.00 0.00 O ATOM 338 CB MET A 23 -7.640 -3.705 5.107 1.00 0.00 C ATOM 339 CG MET A 23 -7.731 -3.724 6.624 1.00 0.00 C ATOM 340 SD MET A 23 -6.278 -4.459 7.399 1.00 0.00 S ATOM 341 CE MET A 23 -5.677 -3.081 8.370 1.00 0.00 C ATOM 0 H MET A 23 -9.933 -2.533 4.962 1.00 0.00 H new ATOM 0 HA MET A 23 -7.138 -1.629 4.850 1.00 0.00 H new ATOM 0 HB2 MET A 23 -8.360 -4.415 4.699 1.00 0.00 H new ATOM 0 HB3 MET A 23 -6.650 -4.046 4.806 1.00 0.00 H new ATOM 0 HG2 MET A 23 -7.856 -2.705 6.989 1.00 0.00 H new ATOM 0 HG3 MET A 23 -8.619 -4.281 6.924 1.00 0.00 H new ATOM 0 HE1 MET A 23 -4.778 -3.380 8.909 1.00 0.00 H new ATOM 0 HE2 MET A 23 -5.443 -2.246 7.710 1.00 0.00 H new ATOM 0 HE3 MET A 23 -6.443 -2.776 9.083 1.00 0.00 H new ATOM 351 N GLY A 24 -7.732 -1.244 2.334 1.00 0.00 N ATOM 352 CA GLY A 24 -7.645 -1.203 0.886 1.00 0.00 C ATOM 353 C GLY A 24 -6.348 -0.590 0.402 1.00 0.00 C ATOM 354 O GLY A 24 -6.337 0.169 -0.567 1.00 0.00 O ATOM 0 H GLY A 24 -7.726 -0.331 2.790 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.735 -2.215 0.491 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -8.484 -0.630 0.491 1.00 0.00 H new ATOM 358 N THR A 25 -5.247 -0.950 1.050 1.00 0.00 N ATOM 359 CA THR A 25 -3.947 -0.405 0.702 1.00 0.00 C ATOM 360 C THR A 25 -3.217 -1.282 -0.306 1.00 0.00 C ATOM 361 O THR A 25 -3.201 -2.508 -0.191 1.00 0.00 O ATOM 362 CB THR A 25 -3.101 -0.288 1.955 1.00 0.00 C ATOM 363 OG1 THR A 25 -1.764 0.042 1.630 1.00 0.00 O ATOM 364 CG2 THR A 25 -3.082 -1.571 2.754 1.00 0.00 C ATOM 0 H THR A 25 -5.232 -1.618 1.820 1.00 0.00 H new ATOM 0 HA THR A 25 -4.106 0.574 0.250 1.00 0.00 H new ATOM 0 HB THR A 25 -3.556 0.500 2.555 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.526 0.894 2.051 1.00 0.00 H new ATOM 0 HG21 THR A 25 -2.463 -1.438 3.642 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.098 -1.827 3.055 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.671 -2.374 2.143 1.00 0.00 H new ATOM 372 N SER A 26 -2.578 -0.632 -1.269 1.00 0.00 N ATOM 373 CA SER A 26 -1.823 -1.330 -2.298 1.00 0.00 C ATOM 374 C SER A 26 -0.361 -0.914 -2.267 1.00 0.00 C ATOM 375 O SER A 26 -0.060 0.267 -2.369 1.00 0.00 O ATOM 376 CB SER A 26 -2.398 -1.003 -3.671 1.00 0.00 C ATOM 377 OG SER A 26 -3.717 -1.504 -3.810 1.00 0.00 O ATOM 0 H SER A 26 -2.568 0.384 -1.358 1.00 0.00 H new ATOM 0 HA SER A 26 -1.895 -2.401 -2.107 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.399 0.077 -3.819 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.761 -1.430 -4.445 1.00 0.00 H new ATOM 0 HG SER A 26 -4.061 -1.278 -4.699 1.00 0.00 H new ATOM 383 N ALA A 27 0.540 -1.892 -2.246 1.00 0.00 N ATOM 384 CA ALA A 27 1.971 -1.608 -2.242 1.00 0.00 C ATOM 385 C ALA A 27 2.653 -2.298 -3.404 1.00 0.00 C ATOM 386 O ALA A 27 2.262 -3.381 -3.820 1.00 0.00 O ATOM 387 CB ALA A 27 2.613 -2.032 -0.926 1.00 0.00 C ATOM 0 H ALA A 27 0.305 -2.885 -2.232 1.00 0.00 H new ATOM 0 HA ALA A 27 2.098 -0.531 -2.350 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.679 -1.808 -0.953 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.149 -1.489 -0.103 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.471 -3.103 -0.780 1.00 0.00 H new ATOM 393 N THR A 28 3.638 -1.619 -3.960 1.00 0.00 N ATOM 394 CA THR A 28 4.371 -2.122 -5.104 1.00 0.00 C ATOM 395 C THR A 28 5.843 -2.269 -4.750 1.00 0.00 C ATOM 396 O THR A 28 6.433 -1.383 -4.133 1.00 0.00 O ATOM 397 CB THR A 28 4.176 -1.165 -6.285 1.00 0.00 C ATOM 398 OG1 THR A 28 2.887 -1.331 -6.848 1.00 0.00 O ATOM 399 CG2 THR A 28 5.185 -1.340 -7.401 1.00 0.00 C ATOM 0 H THR A 28 3.951 -0.706 -3.632 1.00 0.00 H new ATOM 0 HA THR A 28 3.995 -3.105 -5.387 1.00 0.00 H new ATOM 0 HB THR A 28 4.312 -0.169 -5.863 1.00 0.00 H new ATOM 0 HG1 THR A 28 2.776 -0.712 -7.600 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.975 -0.625 -8.196 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.189 -1.168 -7.014 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.117 -2.353 -7.797 1.00 0.00 H new ATOM 407 N ILE A 29 6.422 -3.404 -5.109 1.00 0.00 N ATOM 408 CA ILE A 29 7.813 -3.670 -4.799 1.00 0.00 C ATOM 409 C ILE A 29 8.703 -3.429 -6.001 1.00 0.00 C ATOM 410 O ILE A 29 8.476 -3.973 -7.081 1.00 0.00 O ATOM 411 CB ILE A 29 8.039 -5.112 -4.314 1.00 0.00 C ATOM 412 CG1 ILE A 29 6.805 -5.670 -3.587 1.00 0.00 C ATOM 413 CG2 ILE A 29 9.264 -5.166 -3.418 1.00 0.00 C ATOM 414 CD1 ILE A 29 6.121 -4.686 -2.662 1.00 0.00 C ATOM 0 H ILE A 29 5.949 -4.153 -5.614 1.00 0.00 H new ATOM 0 HA ILE A 29 8.074 -2.980 -3.997 1.00 0.00 H new ATOM 0 HB ILE A 29 8.206 -5.742 -5.188 1.00 0.00 H new ATOM 0 HG12 ILE A 29 6.085 -6.011 -4.331 1.00 0.00 H new ATOM 0 HG13 ILE A 29 7.104 -6.544 -3.009 1.00 0.00 H new ATOM 0 HG21 ILE A 29 9.420 -6.189 -3.077 1.00 0.00 H new ATOM 0 HG22 ILE A 29 10.138 -4.832 -3.977 1.00 0.00 H new ATOM 0 HG23 ILE A 29 9.114 -4.515 -2.557 1.00 0.00 H new ATOM 0 HD11 ILE A 29 5.262 -5.165 -2.192 1.00 0.00 H new ATOM 0 HD12 ILE A 29 6.822 -4.363 -1.892 1.00 0.00 H new ATOM 0 HD13 ILE A 29 5.786 -3.821 -3.234 1.00 0.00 H new ATOM 426 N THR A 30 9.738 -2.640 -5.789 1.00 0.00 N ATOM 427 CA THR A 30 10.703 -2.353 -6.834 1.00 0.00 C ATOM 428 C THR A 30 12.123 -2.497 -6.301 1.00 0.00 C ATOM 429 O THR A 30 12.658 -1.587 -5.668 1.00 0.00 O ATOM 430 CB THR A 30 10.484 -0.945 -7.384 1.00 0.00 C ATOM 431 OG1 THR A 30 11.649 -0.476 -8.041 1.00 0.00 O ATOM 432 CG2 THR A 30 10.114 0.064 -6.321 1.00 0.00 C ATOM 0 H THR A 30 9.933 -2.184 -4.898 1.00 0.00 H new ATOM 0 HA THR A 30 10.562 -3.070 -7.643 1.00 0.00 H new ATOM 0 HB THR A 30 9.649 -1.034 -8.079 1.00 0.00 H new ATOM 0 HG1 THR A 30 11.488 0.426 -8.388 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.973 1.042 -6.781 1.00 0.00 H new ATOM 0 HG22 THR A 30 9.189 -0.244 -5.833 1.00 0.00 H new ATOM 0 HG23 THR A 30 10.912 0.122 -5.581 1.00 0.00 H new ATOM 440 N SER A 31 12.728 -3.646 -6.574 1.00 0.00 N ATOM 441 CA SER A 31 14.080 -3.923 -6.128 1.00 0.00 C ATOM 442 C SER A 31 15.042 -3.938 -7.310 1.00 0.00 C ATOM 443 O SER A 31 14.650 -4.246 -8.435 1.00 0.00 O ATOM 444 CB SER A 31 14.130 -5.264 -5.389 1.00 0.00 C ATOM 445 OG SER A 31 14.489 -6.322 -6.263 1.00 0.00 O ATOM 0 H SER A 31 12.298 -4.403 -7.106 1.00 0.00 H new ATOM 0 HA SER A 31 14.386 -3.132 -5.443 1.00 0.00 H new ATOM 0 HB2 SER A 31 14.849 -5.205 -4.572 1.00 0.00 H new ATOM 0 HB3 SER A 31 13.157 -5.472 -4.943 1.00 0.00 H new ATOM 0 HG SER A 31 14.514 -7.165 -5.763 1.00 0.00 H new ATOM 451 N GLY A 32 16.302 -3.607 -7.053 1.00 0.00 N ATOM 452 CA GLY A 32 17.293 -3.603 -8.113 1.00 0.00 C ATOM 453 C GLY A 32 17.290 -4.897 -8.904 1.00 0.00 C ATOM 454 O GLY A 32 17.409 -4.886 -10.129 1.00 0.00 O ATOM 0 H GLY A 32 16.654 -3.342 -6.133 1.00 0.00 H new ATOM 0 HA2 GLY A 32 17.100 -2.767 -8.786 1.00 0.00 H new ATOM 0 HA3 GLY A 32 18.282 -3.444 -7.683 1.00 0.00 H new ATOM 458 N GLU A 33 17.127 -6.012 -8.200 1.00 0.00 N ATOM 459 CA GLU A 33 17.114 -7.318 -8.819 1.00 0.00 C ATOM 460 C GLU A 33 16.037 -7.429 -9.893 1.00 0.00 C ATOM 461 O GLU A 33 16.334 -7.418 -11.088 1.00 0.00 O ATOM 462 CB GLU A 33 16.904 -8.367 -7.755 1.00 0.00 C ATOM 463 CG GLU A 33 18.051 -9.346 -7.673 1.00 0.00 C ATOM 464 CD GLU A 33 17.619 -10.783 -7.885 1.00 0.00 C ATOM 465 OE1 GLU A 33 16.641 -11.211 -7.237 1.00 0.00 O ATOM 466 OE2 GLU A 33 18.257 -11.481 -8.701 1.00 0.00 O ATOM 0 H GLU A 33 17.001 -6.029 -7.188 1.00 0.00 H new ATOM 0 HA GLU A 33 18.074 -7.474 -9.312 1.00 0.00 H new ATOM 0 HB2 GLU A 33 16.777 -7.879 -6.789 1.00 0.00 H new ATOM 0 HB3 GLU A 33 15.982 -8.910 -7.962 1.00 0.00 H new ATOM 0 HG2 GLU A 33 18.800 -9.083 -8.420 1.00 0.00 H new ATOM 0 HG3 GLU A 33 18.529 -9.256 -6.698 1.00 0.00 H new ATOM 473 N GLN A 34 14.785 -7.553 -9.459 1.00 0.00 N ATOM 474 CA GLN A 34 13.667 -7.692 -10.385 1.00 0.00 C ATOM 475 C GLN A 34 12.462 -6.877 -9.924 1.00 0.00 C ATOM 476 O GLN A 34 11.432 -7.435 -9.546 1.00 0.00 O ATOM 477 CB GLN A 34 13.277 -9.164 -10.521 1.00 0.00 C ATOM 478 CG GLN A 34 12.038 -9.388 -11.374 1.00 0.00 C ATOM 479 CD GLN A 34 12.194 -10.552 -12.333 1.00 0.00 C ATOM 480 OE1 GLN A 34 13.295 -10.849 -12.795 1.00 0.00 O ATOM 481 NE2 GLN A 34 11.086 -11.217 -12.638 1.00 0.00 N ATOM 0 H GLN A 34 14.521 -7.560 -8.474 1.00 0.00 H new ATOM 0 HA GLN A 34 13.985 -7.311 -11.355 1.00 0.00 H new ATOM 0 HB2 GLN A 34 14.112 -9.714 -10.956 1.00 0.00 H new ATOM 0 HB3 GLN A 34 13.104 -9.579 -9.528 1.00 0.00 H new ATOM 0 HG2 GLN A 34 11.182 -9.569 -10.724 1.00 0.00 H new ATOM 0 HG3 GLN A 34 11.822 -8.482 -11.940 1.00 0.00 H new ATOM 0 HE21 GLN A 34 10.194 -10.936 -12.231 1.00 0.00 H new ATOM 0 HE22 GLN A 34 11.127 -12.009 -13.279 1.00 0.00 H new ATOM 490 N SER A 35 12.592 -5.556 -9.973 1.00 0.00 N ATOM 491 CA SER A 35 11.509 -4.664 -9.574 1.00 0.00 C ATOM 492 C SER A 35 10.314 -4.809 -10.509 1.00 0.00 C ATOM 493 O SER A 35 10.454 -4.730 -11.729 1.00 0.00 O ATOM 494 CB SER A 35 11.995 -3.213 -9.576 1.00 0.00 C ATOM 495 OG SER A 35 12.600 -2.879 -10.813 1.00 0.00 O ATOM 0 H SER A 35 13.437 -5.078 -10.285 1.00 0.00 H new ATOM 0 HA SER A 35 11.196 -4.938 -8.567 1.00 0.00 H new ATOM 0 HB2 SER A 35 11.155 -2.545 -9.386 1.00 0.00 H new ATOM 0 HB3 SER A 35 12.710 -3.065 -8.766 1.00 0.00 H new ATOM 0 HG SER A 35 12.128 -3.334 -11.541 1.00 0.00 H new ATOM 501 N GLY A 36 9.137 -5.017 -9.928 1.00 0.00 N ATOM 502 CA GLY A 36 7.934 -5.166 -10.725 1.00 0.00 C ATOM 503 C GLY A 36 6.945 -6.133 -10.108 1.00 0.00 C ATOM 504 O GLY A 36 6.527 -7.097 -10.749 1.00 0.00 O ATOM 0 H GLY A 36 8.995 -5.085 -8.920 1.00 0.00 H new ATOM 0 HA2 GLY A 36 7.459 -4.192 -10.845 1.00 0.00 H new ATOM 0 HA3 GLY A 36 8.204 -5.514 -11.722 1.00 0.00 H new ATOM 508 N ALA A 37 6.567 -5.875 -8.860 1.00 0.00 N ATOM 509 CA ALA A 37 5.621 -6.731 -8.158 1.00 0.00 C ATOM 510 C ALA A 37 4.686 -5.908 -7.278 1.00 0.00 C ATOM 511 O ALA A 37 5.132 -5.166 -6.403 1.00 0.00 O ATOM 512 CB ALA A 37 6.360 -7.765 -7.324 1.00 0.00 C ATOM 0 H ALA A 37 6.902 -5.080 -8.315 1.00 0.00 H new ATOM 0 HA ALA A 37 5.016 -7.249 -8.903 1.00 0.00 H new ATOM 0 HB1 ALA A 37 5.639 -8.397 -6.806 1.00 0.00 H new ATOM 0 HB2 ALA A 37 6.981 -8.381 -7.975 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.991 -7.259 -6.593 1.00 0.00 H new ATOM 518 N VAL A 38 3.386 -6.055 -7.507 1.00 0.00 N ATOM 519 CA VAL A 38 2.386 -5.323 -6.739 1.00 0.00 C ATOM 520 C VAL A 38 1.787 -6.196 -5.639 1.00 0.00 C ATOM 521 O VAL A 38 1.153 -7.215 -5.915 1.00 0.00 O ATOM 522 CB VAL A 38 1.252 -4.803 -7.642 1.00 0.00 C ATOM 523 CG1 VAL A 38 0.460 -5.962 -8.228 1.00 0.00 C ATOM 524 CG2 VAL A 38 0.344 -3.860 -6.869 1.00 0.00 C ATOM 0 H VAL A 38 3.000 -6.675 -8.219 1.00 0.00 H new ATOM 0 HA VAL A 38 2.897 -4.473 -6.286 1.00 0.00 H new ATOM 0 HB VAL A 38 1.696 -4.246 -8.467 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.337 -5.574 -8.863 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.122 -6.592 -8.821 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.026 -6.551 -7.420 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.451 -3.503 -7.523 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.093 -4.389 -6.022 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.924 -3.011 -6.507 1.00 0.00 H new ATOM 534 N ILE A 39 1.991 -5.781 -4.394 1.00 0.00 N ATOM 535 CA ILE A 39 1.484 -6.513 -3.242 1.00 0.00 C ATOM 536 C ILE A 39 0.518 -5.669 -2.419 1.00 0.00 C ATOM 537 O ILE A 39 0.544 -4.440 -2.479 1.00 0.00 O ATOM 538 CB ILE A 39 2.636 -6.966 -2.323 1.00 0.00 C ATOM 539 CG1 ILE A 39 3.326 -5.761 -1.683 1.00 0.00 C ATOM 540 CG2 ILE A 39 3.635 -7.807 -3.099 1.00 0.00 C ATOM 541 CD1 ILE A 39 2.772 -5.414 -0.319 1.00 0.00 C ATOM 0 H ILE A 39 2.508 -4.935 -4.157 1.00 0.00 H new ATOM 0 HA ILE A 39 0.958 -7.383 -3.635 1.00 0.00 H new ATOM 0 HB ILE A 39 2.217 -7.579 -1.525 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.393 -5.966 -1.594 1.00 0.00 H new ATOM 0 HG13 ILE A 39 3.221 -4.898 -2.341 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.442 -8.118 -2.435 1.00 0.00 H new ATOM 0 HG22 ILE A 39 3.135 -8.688 -3.500 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.047 -7.219 -3.919 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.304 -4.551 0.081 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.711 -5.178 -0.406 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.901 -6.263 0.353 1.00 0.00 H new ATOM 553 N ARG A 40 -0.305 -6.336 -1.618 1.00 0.00 N ATOM 554 CA ARG A 40 -1.221 -5.643 -0.724 1.00 0.00 C ATOM 555 C ARG A 40 -0.696 -5.704 0.701 1.00 0.00 C ATOM 556 O ARG A 40 -0.008 -6.650 1.085 1.00 0.00 O ATOM 557 CB ARG A 40 -2.629 -6.241 -0.788 1.00 0.00 C ATOM 558 CG ARG A 40 -3.566 -5.702 0.288 1.00 0.00 C ATOM 559 CD ARG A 40 -5.012 -5.701 -0.180 1.00 0.00 C ATOM 560 NE ARG A 40 -5.938 -6.023 0.902 1.00 0.00 N ATOM 561 CZ ARG A 40 -7.249 -6.164 0.733 1.00 0.00 C ATOM 562 NH1 ARG A 40 -7.783 -6.014 -0.472 1.00 0.00 N ATOM 563 NH2 ARG A 40 -8.026 -6.456 1.767 1.00 0.00 N ATOM 0 H ARG A 40 -0.356 -7.354 -1.570 1.00 0.00 H new ATOM 0 HA ARG A 40 -1.284 -4.604 -1.047 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.058 -6.036 -1.769 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.560 -7.324 -0.690 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.475 -6.309 1.189 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.269 -4.688 0.556 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.260 -4.722 -0.590 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.132 -6.424 -0.987 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.558 -6.147 1.840 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.188 -5.790 -1.269 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.789 -6.122 -0.601 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -7.618 -6.573 2.695 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.032 -6.564 1.635 1.00 0.00 H new ATOM 577 N GLY A 41 -1.012 -4.682 1.476 1.00 0.00 N ATOM 578 CA GLY A 41 -0.558 -4.624 2.849 1.00 0.00 C ATOM 579 C GLY A 41 -0.333 -3.199 3.283 1.00 0.00 C ATOM 580 O GLY A 41 0.017 -2.351 2.465 1.00 0.00 O ATOM 0 H GLY A 41 -1.578 -3.887 1.178 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.295 -5.094 3.500 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.367 -5.190 2.954 1.00 0.00 H new ATOM 584 N VAL A 42 -0.586 -2.908 4.551 1.00 0.00 N ATOM 585 CA VAL A 42 -0.497 -1.536 5.019 1.00 0.00 C ATOM 586 C VAL A 42 0.655 -1.310 5.996 1.00 0.00 C ATOM 587 O VAL A 42 1.545 -2.145 6.141 1.00 0.00 O ATOM 588 CB VAL A 42 -1.859 -1.072 5.611 1.00 0.00 C ATOM 589 CG1 VAL A 42 -1.898 -1.084 7.141 1.00 0.00 C ATOM 590 CG2 VAL A 42 -2.205 0.303 5.062 1.00 0.00 C ATOM 0 H VAL A 42 -0.850 -3.591 5.261 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.270 -0.916 4.151 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.612 -1.796 5.299 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.877 -0.749 7.483 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.715 -2.096 7.502 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.130 -0.415 7.530 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.159 0.630 5.475 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.426 1.013 5.341 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.278 0.253 3.976 1.00 0.00 H new ATOM 600 N PHE A 43 0.628 -0.145 6.626 1.00 0.00 N ATOM 601 CA PHE A 43 1.662 0.273 7.555 1.00 0.00 C ATOM 602 C PHE A 43 1.096 0.419 8.965 1.00 0.00 C ATOM 603 O PHE A 43 0.120 1.139 9.180 1.00 0.00 O ATOM 604 CB PHE A 43 2.225 1.602 7.057 1.00 0.00 C ATOM 605 CG PHE A 43 3.060 2.359 8.051 1.00 0.00 C ATOM 606 CD1 PHE A 43 2.469 2.989 9.135 1.00 0.00 C ATOM 607 CD2 PHE A 43 4.426 2.488 7.868 1.00 0.00 C ATOM 608 CE1 PHE A 43 3.233 3.703 10.039 1.00 0.00 C ATOM 609 CE2 PHE A 43 5.194 3.204 8.767 1.00 0.00 C ATOM 610 CZ PHE A 43 4.596 3.813 9.854 1.00 0.00 C ATOM 0 H PHE A 43 -0.118 0.540 6.505 1.00 0.00 H new ATOM 0 HA PHE A 43 2.452 -0.477 7.602 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.829 1.412 6.170 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.394 2.236 6.747 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.400 2.921 9.275 1.00 0.00 H new ATOM 0 HD2 PHE A 43 4.897 2.024 7.014 1.00 0.00 H new ATOM 0 HE1 PHE A 43 2.763 4.175 10.890 1.00 0.00 H new ATOM 0 HE2 PHE A 43 6.261 3.287 8.620 1.00 0.00 H new ATOM 0 HZ PHE A 43 5.194 4.374 10.557 1.00 0.00 H new ATOM 620 N ASP A 44 1.706 -0.271 9.922 1.00 0.00 N ATOM 621 CA ASP A 44 1.254 -0.216 11.307 1.00 0.00 C ATOM 622 C ASP A 44 2.304 0.439 12.198 1.00 0.00 C ATOM 623 O ASP A 44 3.498 0.169 12.069 1.00 0.00 O ATOM 624 CB ASP A 44 0.941 -1.623 11.819 1.00 0.00 C ATOM 625 CG ASP A 44 -0.254 -1.646 12.752 1.00 0.00 C ATOM 626 OD1 ASP A 44 -1.393 -1.766 12.254 1.00 0.00 O ATOM 627 OD2 ASP A 44 -0.051 -1.543 13.980 1.00 0.00 O ATOM 0 H ASP A 44 2.513 -0.874 9.765 1.00 0.00 H new ATOM 0 HA ASP A 44 0.347 0.387 11.342 1.00 0.00 H new ATOM 0 HB2 ASP A 44 0.749 -2.281 10.971 1.00 0.00 H new ATOM 0 HB3 ASP A 44 1.813 -2.020 12.340 1.00 0.00 H new ATOM 632 N ASP A 45 1.850 1.299 13.104 1.00 0.00 N ATOM 633 CA ASP A 45 2.748 1.989 14.023 1.00 0.00 C ATOM 634 C ASP A 45 2.466 1.578 15.469 1.00 0.00 C ATOM 635 O ASP A 45 1.464 1.991 16.053 1.00 0.00 O ATOM 636 CB ASP A 45 2.599 3.506 13.876 1.00 0.00 C ATOM 637 CG ASP A 45 1.164 3.931 13.628 1.00 0.00 C ATOM 638 OD1 ASP A 45 0.247 3.176 14.016 1.00 0.00 O ATOM 639 OD2 ASP A 45 0.958 5.017 13.046 1.00 0.00 O ATOM 0 H ASP A 45 0.865 1.535 13.221 1.00 0.00 H new ATOM 0 HA ASP A 45 3.770 1.706 13.773 1.00 0.00 H new ATOM 0 HB2 ASP A 45 2.967 3.993 14.779 1.00 0.00 H new ATOM 0 HB3 ASP A 45 3.223 3.850 13.052 1.00 0.00 H new ATOM 644 N PRO A 46 3.354 0.767 16.075 1.00 0.00 N ATOM 645 CA PRO A 46 3.184 0.298 17.455 1.00 0.00 C ATOM 646 C PRO A 46 3.217 1.440 18.465 1.00 0.00 C ATOM 647 O PRO A 46 2.500 1.418 19.464 1.00 0.00 O ATOM 648 CB PRO A 46 4.379 -0.639 17.678 1.00 0.00 C ATOM 649 CG PRO A 46 4.878 -0.973 16.315 1.00 0.00 C ATOM 650 CD PRO A 46 4.571 0.219 15.458 1.00 0.00 C ATOM 0 HA PRO A 46 2.217 -0.185 17.595 1.00 0.00 H new ATOM 0 HB2 PRO A 46 5.153 -0.154 18.272 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.079 -1.537 18.218 1.00 0.00 H new ATOM 0 HG2 PRO A 46 5.949 -1.177 16.331 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.389 -1.867 15.929 1.00 0.00 H new ATOM 0 HD2 PRO A 46 5.387 0.942 15.465 1.00 0.00 H new ATOM 0 HD3 PRO A 46 4.404 -0.064 14.419 1.00 0.00 H new ATOM 658 N GLU A 47 4.067 2.427 18.207 1.00 0.00 N ATOM 659 CA GLU A 47 4.205 3.571 19.100 1.00 0.00 C ATOM 660 C GLU A 47 3.320 4.727 18.647 1.00 0.00 C ATOM 661 O GLU A 47 3.740 5.885 18.658 1.00 0.00 O ATOM 662 CB GLU A 47 5.663 4.024 19.162 1.00 0.00 C ATOM 663 CG GLU A 47 6.115 4.431 20.556 1.00 0.00 C ATOM 664 CD GLU A 47 5.496 5.737 21.012 1.00 0.00 C ATOM 665 OE1 GLU A 47 4.274 5.756 21.273 1.00 0.00 O ATOM 666 OE2 GLU A 47 6.233 6.740 21.112 1.00 0.00 O ATOM 0 H GLU A 47 4.671 2.458 17.386 1.00 0.00 H new ATOM 0 HA GLU A 47 3.885 3.262 20.095 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.301 3.216 18.803 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.802 4.866 18.484 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.854 3.643 21.263 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.201 4.524 20.569 1.00 0.00 H new ATOM 673 N ASN A 48 2.091 4.409 18.259 1.00 0.00 N ATOM 674 CA ASN A 48 1.146 5.422 17.806 1.00 0.00 C ATOM 675 C ASN A 48 0.429 6.069 18.987 1.00 0.00 C ATOM 676 O ASN A 48 -0.800 6.117 19.027 1.00 0.00 O ATOM 677 CB ASN A 48 0.123 4.804 16.851 1.00 0.00 C ATOM 678 CG ASN A 48 -0.457 3.509 17.385 1.00 0.00 C ATOM 679 OD1 ASN A 48 -0.162 3.100 18.507 1.00 0.00 O ATOM 680 ND2 ASN A 48 -1.287 2.856 16.579 1.00 0.00 N ATOM 0 H ASN A 48 1.725 3.457 18.249 1.00 0.00 H new ATOM 0 HA ASN A 48 1.707 6.194 17.279 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.684 5.516 16.677 1.00 0.00 H new ATOM 0 HB3 ASN A 48 0.596 4.617 15.887 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -1.708 1.978 16.883 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -1.503 3.233 15.656 1.00 0.00 H new ATOM 687 N ILE A 49 1.204 6.563 19.949 1.00 0.00 N ATOM 688 CA ILE A 49 0.643 7.216 21.133 1.00 0.00 C ATOM 689 C ILE A 49 -0.481 6.381 21.740 1.00 0.00 C ATOM 690 O ILE A 49 -0.704 5.239 21.339 1.00 0.00 O ATOM 691 CB ILE A 49 0.098 8.635 20.827 1.00 0.00 C ATOM 692 CG1 ILE A 49 0.658 9.183 19.509 1.00 0.00 C ATOM 693 CG2 ILE A 49 0.432 9.582 21.970 1.00 0.00 C ATOM 694 CD1 ILE A 49 0.221 10.601 19.212 1.00 0.00 C ATOM 0 H ILE A 49 2.223 6.524 19.934 1.00 0.00 H new ATOM 0 HA ILE A 49 1.465 7.307 21.843 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.985 8.560 20.724 1.00 0.00 H new ATOM 0 HG12 ILE A 49 1.747 9.146 19.543 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.342 8.535 18.692 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.045 10.576 21.744 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.022 9.216 22.891 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.514 9.634 22.095 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.654 10.924 18.265 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.866 10.640 19.146 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.560 11.261 20.010 1.00 0.00 H new ATOM 706 N SER A 50 -1.186 6.960 22.707 1.00 0.00 N ATOM 707 CA SER A 50 -2.291 6.274 23.366 1.00 0.00 C ATOM 708 C SER A 50 -1.792 5.073 24.164 1.00 0.00 C ATOM 709 O SER A 50 -2.486 4.064 24.284 1.00 0.00 O ATOM 710 CB SER A 50 -3.328 5.825 22.334 1.00 0.00 C ATOM 711 OG SER A 50 -3.063 4.508 21.881 1.00 0.00 O ATOM 0 H SER A 50 -1.011 7.904 23.052 1.00 0.00 H new ATOM 0 HA SER A 50 -2.758 6.974 24.058 1.00 0.00 H new ATOM 0 HB2 SER A 50 -4.325 5.868 22.774 1.00 0.00 H new ATOM 0 HB3 SER A 50 -3.323 6.512 21.487 1.00 0.00 H new ATOM 0 HG SER A 50 -2.262 4.511 21.317 1.00 0.00 H new ATOM 717 N TYR A 51 -0.586 5.192 24.712 1.00 0.00 N ATOM 718 CA TYR A 51 0.003 4.116 25.502 1.00 0.00 C ATOM 719 C TYR A 51 -0.536 4.128 26.928 1.00 0.00 C ATOM 720 O TYR A 51 0.220 4.304 27.883 1.00 0.00 O ATOM 721 CB TYR A 51 1.526 4.240 25.518 1.00 0.00 C ATOM 722 CG TYR A 51 2.207 3.451 24.425 1.00 0.00 C ATOM 723 CD1 TYR A 51 1.582 3.239 23.204 1.00 0.00 C ATOM 724 CD2 TYR A 51 3.473 2.910 24.618 1.00 0.00 C ATOM 725 CE1 TYR A 51 2.200 2.514 22.203 1.00 0.00 C ATOM 726 CE2 TYR A 51 4.097 2.184 23.621 1.00 0.00 C ATOM 727 CZ TYR A 51 3.457 1.990 22.416 1.00 0.00 C ATOM 728 OH TYR A 51 4.075 1.267 21.422 1.00 0.00 O ATOM 0 H TYR A 51 0.001 6.021 24.624 1.00 0.00 H new ATOM 0 HA TYR A 51 -0.271 3.168 25.038 1.00 0.00 H new ATOM 0 HB2 TYR A 51 1.798 5.291 25.420 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.900 3.903 26.485 1.00 0.00 H new ATOM 0 HD1 TYR A 51 0.597 3.647 23.033 1.00 0.00 H new ATOM 0 HD2 TYR A 51 3.977 3.059 25.562 1.00 0.00 H new ATOM 0 HE1 TYR A 51 1.700 2.359 21.258 1.00 0.00 H new ATOM 0 HE2 TYR A 51 5.081 1.771 23.785 1.00 0.00 H new ATOM 0 HH TYR A 51 3.397 0.855 20.847 1.00 0.00 H new ATOM 738 N ALA A 52 -1.844 3.937 27.063 1.00 0.00 N ATOM 739 CA ALA A 52 -2.486 3.919 28.371 1.00 0.00 C ATOM 740 C ALA A 52 -2.157 5.180 29.168 1.00 0.00 C ATOM 741 O ALA A 52 -2.900 6.161 29.126 1.00 0.00 O ATOM 742 CB ALA A 52 -2.079 2.674 29.143 1.00 0.00 C ATOM 0 H ALA A 52 -2.481 3.792 26.280 1.00 0.00 H new ATOM 0 HA ALA A 52 -3.565 3.897 28.217 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.567 2.675 30.118 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.381 1.786 28.587 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.997 2.667 29.278 1.00 0.00 H new ATOM 748 N GLY A 53 -1.045 5.149 29.896 1.00 0.00 N ATOM 749 CA GLY A 53 -0.649 6.298 30.689 1.00 0.00 C ATOM 750 C GLY A 53 0.572 7.012 30.131 1.00 0.00 C ATOM 751 O GLY A 53 0.980 8.048 30.656 1.00 0.00 O ATOM 0 H GLY A 53 -0.413 4.351 29.951 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -1.481 7.000 30.742 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.440 5.974 31.709 1.00 0.00 H new ATOM 755 N GLN A 54 1.159 6.463 29.070 1.00 0.00 N ATOM 756 CA GLN A 54 2.338 7.062 28.453 1.00 0.00 C ATOM 757 C GLN A 54 3.562 6.904 29.348 1.00 0.00 C ATOM 758 O GLN A 54 3.524 6.187 30.348 1.00 0.00 O ATOM 759 CB GLN A 54 2.091 8.546 28.164 1.00 0.00 C ATOM 760 CG GLN A 54 2.190 8.903 26.691 1.00 0.00 C ATOM 761 CD GLN A 54 3.441 8.350 26.037 1.00 0.00 C ATOM 762 OE1 GLN A 54 4.549 8.523 26.546 1.00 0.00 O ATOM 763 NE2 GLN A 54 3.271 7.681 24.903 1.00 0.00 N ATOM 0 H GLN A 54 0.837 5.606 28.621 1.00 0.00 H new ATOM 0 HA GLN A 54 2.528 6.542 27.514 1.00 0.00 H new ATOM 0 HB2 GLN A 54 1.101 8.819 28.530 1.00 0.00 H new ATOM 0 HB3 GLN A 54 2.813 9.142 28.723 1.00 0.00 H new ATOM 0 HG2 GLN A 54 1.313 8.520 26.169 1.00 0.00 H new ATOM 0 HG3 GLN A 54 2.178 9.988 26.583 1.00 0.00 H new ATOM 0 HE21 GLN A 54 2.335 7.562 24.517 1.00 0.00 H new ATOM 0 HE22 GLN A 54 4.077 7.286 24.418 1.00 0.00 H new ATOM 772 N GLY A 55 4.647 7.576 28.981 1.00 0.00 N ATOM 773 CA GLY A 55 5.869 7.495 29.760 1.00 0.00 C ATOM 774 C GLY A 55 6.884 6.549 29.147 1.00 0.00 C ATOM 775 O GLY A 55 7.655 5.907 29.860 1.00 0.00 O ATOM 0 H GLY A 55 4.703 8.176 28.158 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.308 8.489 29.846 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.631 7.163 30.771 1.00 0.00 H new ATOM 779 N VAL A 56 6.881 6.462 27.821 1.00 0.00 N ATOM 780 CA VAL A 56 7.807 5.589 27.111 1.00 0.00 C ATOM 781 C VAL A 56 7.959 6.027 25.660 1.00 0.00 C ATOM 782 O VAL A 56 7.021 5.942 24.871 1.00 0.00 O ATOM 783 CB VAL A 56 7.345 4.119 27.166 1.00 0.00 C ATOM 784 CG1 VAL A 56 5.876 4.010 26.779 1.00 0.00 C ATOM 785 CG2 VAL A 56 8.211 3.227 26.284 1.00 0.00 C ATOM 0 H VAL A 56 6.247 6.986 27.217 1.00 0.00 H new ATOM 0 HA VAL A 56 8.774 5.666 27.608 1.00 0.00 H new ATOM 0 HB VAL A 56 7.459 3.769 28.192 1.00 0.00 H new ATOM 0 HG11 VAL A 56 5.565 2.966 26.823 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.273 4.598 27.471 1.00 0.00 H new ATOM 0 HG13 VAL A 56 5.738 4.388 25.766 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.856 2.198 26.347 1.00 0.00 H new ATOM 0 HG22 VAL A 56 8.151 3.568 25.251 1.00 0.00 H new ATOM 0 HG23 VAL A 56 9.246 3.276 26.622 1.00 0.00 H new ATOM 795 N ARG A 57 9.160 6.478 25.323 1.00 0.00 N ATOM 796 CA ARG A 57 9.463 6.949 23.975 1.00 0.00 C ATOM 797 C ARG A 57 8.629 8.159 23.610 1.00 0.00 C ATOM 798 O ARG A 57 9.158 9.254 23.425 1.00 0.00 O ATOM 799 CB ARG A 57 9.212 5.857 22.938 1.00 0.00 C ATOM 800 CG ARG A 57 10.321 4.820 22.859 1.00 0.00 C ATOM 801 CD ARG A 57 11.115 4.946 21.569 1.00 0.00 C ATOM 802 NE ARG A 57 12.382 4.223 21.636 1.00 0.00 N ATOM 803 CZ ARG A 57 13.253 4.170 20.633 1.00 0.00 C ATOM 804 NH1 ARG A 57 12.996 4.795 19.492 1.00 0.00 N ATOM 805 NH2 ARG A 57 14.384 3.491 20.771 1.00 0.00 N ATOM 0 H ARG A 57 9.947 6.528 25.970 1.00 0.00 H new ATOM 0 HA ARG A 57 10.518 7.222 23.971 1.00 0.00 H new ATOM 0 HB2 ARG A 57 8.274 5.355 23.173 1.00 0.00 H new ATOM 0 HB3 ARG A 57 9.090 6.320 21.959 1.00 0.00 H new ATOM 0 HG2 ARG A 57 10.990 4.937 23.711 1.00 0.00 H new ATOM 0 HG3 ARG A 57 9.891 3.821 22.926 1.00 0.00 H new ATOM 0 HD2 ARG A 57 10.522 4.563 20.739 1.00 0.00 H new ATOM 0 HD3 ARG A 57 11.308 5.999 21.363 1.00 0.00 H new ATOM 0 HE ARG A 57 12.611 3.732 22.500 1.00 0.00 H new ATOM 0 HH11 ARG A 57 12.128 5.319 19.382 1.00 0.00 H new ATOM 0 HH12 ARG A 57 13.667 4.752 18.725 1.00 0.00 H new ATOM 0 HH21 ARG A 57 14.586 3.009 21.647 1.00 0.00 H new ATOM 0 HH22 ARG A 57 15.052 3.451 20.001 1.00 0.00 H new ATOM 819 N VAL A 58 7.334 7.927 23.407 1.00 0.00 N ATOM 820 CA VAL A 58 6.425 8.968 22.953 1.00 0.00 C ATOM 821 C VAL A 58 7.031 9.697 21.758 1.00 0.00 C ATOM 822 O VAL A 58 6.737 10.867 21.508 1.00 0.00 O ATOM 823 CB VAL A 58 6.077 9.965 24.072 1.00 0.00 C ATOM 824 CG1 VAL A 58 7.281 10.811 24.454 1.00 0.00 C ATOM 825 CG2 VAL A 58 4.910 10.847 23.656 1.00 0.00 C ATOM 0 H VAL A 58 6.892 7.019 23.552 1.00 0.00 H new ATOM 0 HA VAL A 58 5.493 8.488 22.653 1.00 0.00 H new ATOM 0 HB VAL A 58 5.783 9.392 24.951 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.001 11.505 25.247 1.00 0.00 H new ATOM 0 HG12 VAL A 58 8.084 10.163 24.805 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.622 11.372 23.584 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.678 11.546 24.460 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.176 11.403 22.757 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.038 10.225 23.453 1.00 0.00 H new ATOM 835 N GLU A 59 7.897 8.984 21.031 1.00 0.00 N ATOM 836 CA GLU A 59 8.561 9.539 19.865 1.00 0.00 C ATOM 837 C GLU A 59 8.394 8.623 18.657 1.00 0.00 C ATOM 838 O GLU A 59 8.131 9.088 17.546 1.00 0.00 O ATOM 839 CB GLU A 59 10.047 9.760 20.153 1.00 0.00 C ATOM 840 CG GLU A 59 10.770 8.507 20.618 1.00 0.00 C ATOM 841 CD GLU A 59 11.544 7.834 19.502 1.00 0.00 C ATOM 842 OE1 GLU A 59 11.064 7.860 18.349 1.00 0.00 O ATOM 843 OE2 GLU A 59 12.630 7.283 19.780 1.00 0.00 O ATOM 0 H GLU A 59 8.150 8.018 21.237 1.00 0.00 H new ATOM 0 HA GLU A 59 8.098 10.499 19.637 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.531 10.135 19.251 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.150 10.533 20.915 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.455 8.765 21.426 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.045 7.804 21.028 1.00 0.00 H new ATOM 850 N GLY A 60 8.545 7.322 18.879 1.00 0.00 N ATOM 851 CA GLY A 60 8.399 6.365 17.796 1.00 0.00 C ATOM 852 C GLY A 60 9.419 5.246 17.864 1.00 0.00 C ATOM 853 O GLY A 60 10.614 5.495 18.020 1.00 0.00 O ATOM 0 H GLY A 60 8.765 6.913 19.787 1.00 0.00 H new ATOM 0 HA2 GLY A 60 7.396 5.939 17.825 1.00 0.00 H new ATOM 0 HA3 GLY A 60 8.497 6.884 16.842 1.00 0.00 H new ATOM 857 N SER A 61 8.947 4.010 17.740 1.00 0.00 N ATOM 858 CA SER A 61 9.827 2.849 17.779 1.00 0.00 C ATOM 859 C SER A 61 10.103 2.335 16.371 1.00 0.00 C ATOM 860 O SER A 61 11.224 2.433 15.871 1.00 0.00 O ATOM 861 CB SER A 61 9.202 1.736 18.624 1.00 0.00 C ATOM 862 OG SER A 61 9.626 1.822 19.973 1.00 0.00 O ATOM 0 H SER A 61 7.960 3.787 17.612 1.00 0.00 H new ATOM 0 HA SER A 61 10.771 3.153 18.232 1.00 0.00 H new ATOM 0 HB2 SER A 61 8.115 1.805 18.576 1.00 0.00 H new ATOM 0 HB3 SER A 61 9.478 0.765 18.214 1.00 0.00 H new ATOM 0 HG SER A 61 9.212 1.102 20.493 1.00 0.00 H new ATOM 868 N SER A 62 9.071 1.795 15.734 1.00 0.00 N ATOM 869 CA SER A 62 9.196 1.271 14.380 1.00 0.00 C ATOM 870 C SER A 62 7.883 0.640 13.919 1.00 0.00 C ATOM 871 O SER A 62 7.232 -0.077 14.678 1.00 0.00 O ATOM 872 CB SER A 62 10.315 0.241 14.312 1.00 0.00 C ATOM 873 OG SER A 62 10.588 -0.307 15.589 1.00 0.00 O ATOM 0 H SER A 62 8.137 1.709 16.134 1.00 0.00 H new ATOM 0 HA SER A 62 9.435 2.102 13.716 1.00 0.00 H new ATOM 0 HB2 SER A 62 10.036 -0.557 13.623 1.00 0.00 H new ATOM 0 HB3 SER A 62 11.217 0.706 13.913 1.00 0.00 H new ATOM 0 HG SER A 62 11.309 -0.966 15.515 1.00 0.00 H new ATOM 879 N PRO A 63 7.492 0.867 12.653 1.00 0.00 N ATOM 880 CA PRO A 63 6.228 0.379 12.119 1.00 0.00 C ATOM 881 C PRO A 63 6.349 -0.879 11.259 1.00 0.00 C ATOM 882 O PRO A 63 7.231 -0.981 10.406 1.00 0.00 O ATOM 883 CB PRO A 63 5.795 1.553 11.260 1.00 0.00 C ATOM 884 CG PRO A 63 7.073 2.079 10.693 1.00 0.00 C ATOM 885 CD PRO A 63 8.166 1.745 11.685 1.00 0.00 C ATOM 0 HA PRO A 63 5.540 0.082 12.911 1.00 0.00 H new ATOM 0 HB2 PRO A 63 5.109 1.240 10.473 1.00 0.00 H new ATOM 0 HB3 PRO A 63 5.279 2.310 11.850 1.00 0.00 H new ATOM 0 HG2 PRO A 63 7.280 1.626 9.723 1.00 0.00 H new ATOM 0 HG3 PRO A 63 7.011 3.156 10.535 1.00 0.00 H new ATOM 0 HD2 PRO A 63 9.005 1.243 11.204 1.00 0.00 H new ATOM 0 HD3 PRO A 63 8.562 2.641 12.163 1.00 0.00 H new ATOM 893 N SER A 64 5.393 -1.790 11.424 1.00 0.00 N ATOM 894 CA SER A 64 5.372 -3.028 10.651 1.00 0.00 C ATOM 895 C SER A 64 4.268 -3.005 9.606 1.00 0.00 C ATOM 896 O SER A 64 3.368 -2.167 9.650 1.00 0.00 O ATOM 897 CB SER A 64 5.203 -4.236 11.571 1.00 0.00 C ATOM 898 OG SER A 64 5.094 -3.836 12.927 1.00 0.00 O ATOM 0 H SER A 64 4.623 -1.694 12.086 1.00 0.00 H new ATOM 0 HA SER A 64 6.328 -3.112 10.134 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.313 -4.795 11.281 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.054 -4.907 11.454 1.00 0.00 H new ATOM 0 HG SER A 64 4.985 -4.628 13.494 1.00 0.00 H new ATOM 904 N LEU A 65 4.365 -3.921 8.648 1.00 0.00 N ATOM 905 CA LEU A 65 3.413 -3.988 7.549 1.00 0.00 C ATOM 906 C LEU A 65 2.618 -5.291 7.617 1.00 0.00 C ATOM 907 O LEU A 65 3.165 -6.349 7.928 1.00 0.00 O ATOM 908 CB LEU A 65 4.153 -3.889 6.199 1.00 0.00 C ATOM 909 CG LEU A 65 3.425 -4.497 4.988 1.00 0.00 C ATOM 910 CD1 LEU A 65 3.934 -3.885 3.692 1.00 0.00 C ATOM 911 CD2 LEU A 65 3.588 -6.010 4.966 1.00 0.00 C ATOM 0 H LEU A 65 5.098 -4.630 8.612 1.00 0.00 H new ATOM 0 HA LEU A 65 2.721 -3.150 7.634 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.349 -2.837 5.990 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.121 -4.380 6.300 1.00 0.00 H new ATOM 0 HG LEU A 65 2.363 -4.269 5.080 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.406 -4.329 2.848 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.759 -2.809 3.704 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.002 -4.078 3.594 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.065 -6.420 4.102 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.647 -6.261 4.903 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.169 -6.434 5.878 1.00 0.00 H new ATOM 923 N PHE A 66 1.325 -5.199 7.338 1.00 0.00 N ATOM 924 CA PHE A 66 0.465 -6.371 7.311 1.00 0.00 C ATOM 925 C PHE A 66 0.284 -6.826 5.873 1.00 0.00 C ATOM 926 O PHE A 66 -0.312 -6.118 5.066 1.00 0.00 O ATOM 927 CB PHE A 66 -0.893 -6.056 7.937 1.00 0.00 C ATOM 928 CG PHE A 66 -0.888 -6.097 9.438 1.00 0.00 C ATOM 929 CD1 PHE A 66 0.062 -5.392 10.159 1.00 0.00 C ATOM 930 CD2 PHE A 66 -1.834 -6.839 10.126 1.00 0.00 C ATOM 931 CE1 PHE A 66 0.068 -5.427 11.541 1.00 0.00 C ATOM 932 CE2 PHE A 66 -1.832 -6.878 11.508 1.00 0.00 C ATOM 933 CZ PHE A 66 -0.880 -6.171 12.216 1.00 0.00 C ATOM 0 H PHE A 66 0.849 -4.322 7.127 1.00 0.00 H new ATOM 0 HA PHE A 66 0.931 -7.168 7.891 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.214 -5.067 7.610 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.629 -6.769 7.565 1.00 0.00 H new ATOM 0 HD1 PHE A 66 0.806 -4.809 9.636 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.581 -7.393 9.577 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.813 -4.873 12.092 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -2.574 -7.461 12.033 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.877 -6.200 13.296 1.00 0.00 H new ATOM 943 N VAL A 67 0.821 -7.989 5.546 1.00 0.00 N ATOM 944 CA VAL A 67 0.761 -8.488 4.182 1.00 0.00 C ATOM 945 C VAL A 67 -0.234 -9.633 4.042 1.00 0.00 C ATOM 946 O VAL A 67 -0.645 -10.239 5.032 1.00 0.00 O ATOM 947 CB VAL A 67 2.150 -8.945 3.709 1.00 0.00 C ATOM 948 CG1 VAL A 67 2.616 -10.154 4.507 1.00 0.00 C ATOM 949 CG2 VAL A 67 2.137 -9.248 2.219 1.00 0.00 C ATOM 0 H VAL A 67 1.302 -8.604 6.203 1.00 0.00 H new ATOM 0 HA VAL A 67 0.421 -7.665 3.554 1.00 0.00 H new ATOM 0 HB VAL A 67 2.857 -8.133 3.881 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.601 -10.463 4.158 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.671 -9.893 5.564 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.910 -10.973 4.372 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.130 -9.570 1.904 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.417 -10.041 2.015 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.855 -8.351 1.668 1.00 0.00 H new ATOM 959 N ARG A 68 -0.632 -9.909 2.804 1.00 0.00 N ATOM 960 CA ARG A 68 -1.611 -10.954 2.530 1.00 0.00 C ATOM 961 C ARG A 68 -0.953 -12.319 2.365 1.00 0.00 C ATOM 962 O ARG A 68 -1.136 -13.208 3.198 1.00 0.00 O ATOM 963 CB ARG A 68 -2.414 -10.608 1.275 1.00 0.00 C ATOM 964 CG ARG A 68 -3.917 -10.761 1.454 1.00 0.00 C ATOM 965 CD ARG A 68 -4.505 -9.603 2.244 1.00 0.00 C ATOM 966 NE ARG A 68 -5.099 -10.043 3.502 1.00 0.00 N ATOM 967 CZ ARG A 68 -5.563 -9.211 4.430 1.00 0.00 C ATOM 968 NH1 ARG A 68 -5.499 -7.900 4.239 1.00 0.00 N ATOM 969 NH2 ARG A 68 -6.090 -9.688 5.549 1.00 0.00 N ATOM 0 H ARG A 68 -0.291 -9.423 1.975 1.00 0.00 H new ATOM 0 HA ARG A 68 -2.281 -11.009 3.388 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -2.194 -9.581 0.984 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.087 -11.248 0.456 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.397 -10.817 0.477 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -4.130 -11.698 1.968 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.724 -8.871 2.449 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.262 -9.101 1.642 1.00 0.00 H new ATOM 0 HE ARG A 68 -5.162 -11.045 3.680 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.094 -7.529 3.380 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -5.855 -7.263 4.951 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -6.140 -10.696 5.700 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -6.445 -9.048 6.259 1.00 0.00 H new ATOM 983 N THR A 69 -0.208 -12.496 1.279 1.00 0.00 N ATOM 984 CA THR A 69 0.426 -13.778 1.001 1.00 0.00 C ATOM 985 C THR A 69 1.763 -13.919 1.737 1.00 0.00 C ATOM 986 O THR A 69 1.791 -14.319 2.902 1.00 0.00 O ATOM 987 CB THR A 69 0.610 -13.966 -0.507 1.00 0.00 C ATOM 988 OG1 THR A 69 1.336 -12.883 -1.062 1.00 0.00 O ATOM 989 CG2 THR A 69 -0.696 -14.079 -1.262 1.00 0.00 C ATOM 0 H THR A 69 -0.030 -11.773 0.582 1.00 0.00 H new ATOM 0 HA THR A 69 -0.232 -14.564 1.372 1.00 0.00 H new ATOM 0 HB THR A 69 1.154 -14.904 -0.616 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.445 -13.022 -2.026 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.492 -14.210 -2.325 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.257 -14.937 -0.892 1.00 0.00 H new ATOM 0 HG23 THR A 69 -1.281 -13.171 -1.115 1.00 0.00 H new ATOM 997 N ASP A 70 2.872 -13.613 1.059 1.00 0.00 N ATOM 998 CA ASP A 70 4.192 -13.737 1.670 1.00 0.00 C ATOM 999 C ASP A 70 5.284 -13.214 0.741 1.00 0.00 C ATOM 1000 O ASP A 70 6.411 -13.710 0.754 1.00 0.00 O ATOM 1001 CB ASP A 70 4.470 -15.199 2.026 1.00 0.00 C ATOM 1002 CG ASP A 70 5.717 -15.362 2.872 1.00 0.00 C ATOM 1003 OD1 ASP A 70 5.631 -15.162 4.101 1.00 0.00 O ATOM 1004 OD2 ASP A 70 6.780 -15.692 2.305 1.00 0.00 O ATOM 0 H ASP A 70 2.880 -13.280 0.095 1.00 0.00 H new ATOM 0 HA ASP A 70 4.200 -13.134 2.578 1.00 0.00 H new ATOM 0 HB2 ASP A 70 3.614 -15.608 2.563 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.578 -15.779 1.109 1.00 0.00 H new ATOM 1009 N GLU A 71 4.948 -12.209 -0.062 1.00 0.00 N ATOM 1010 CA GLU A 71 5.911 -11.606 -0.973 1.00 0.00 C ATOM 1011 C GLU A 71 6.854 -10.692 -0.206 1.00 0.00 C ATOM 1012 O GLU A 71 8.070 -10.742 -0.386 1.00 0.00 O ATOM 1013 CB GLU A 71 5.189 -10.813 -2.064 1.00 0.00 C ATOM 1014 CG GLU A 71 5.558 -11.243 -3.475 1.00 0.00 C ATOM 1015 CD GLU A 71 4.640 -10.645 -4.524 1.00 0.00 C ATOM 1016 OE1 GLU A 71 3.455 -10.409 -4.211 1.00 0.00 O ATOM 1017 OE2 GLU A 71 5.109 -10.411 -5.657 1.00 0.00 O ATOM 0 H GLU A 71 4.016 -11.796 -0.099 1.00 0.00 H new ATOM 0 HA GLU A 71 6.490 -12.401 -1.443 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.113 -10.923 -1.929 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.419 -9.754 -1.944 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.586 -10.946 -3.685 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.520 -12.330 -3.541 1.00 0.00 H new ATOM 1024 N VAL A 72 6.281 -9.866 0.660 1.00 0.00 N ATOM 1025 CA VAL A 72 7.067 -8.961 1.481 1.00 0.00 C ATOM 1026 C VAL A 72 8.136 -9.730 2.239 1.00 0.00 C ATOM 1027 O VAL A 72 9.246 -9.237 2.443 1.00 0.00 O ATOM 1028 CB VAL A 72 6.184 -8.209 2.483 1.00 0.00 C ATOM 1029 CG1 VAL A 72 5.278 -7.226 1.757 1.00 0.00 C ATOM 1030 CG2 VAL A 72 5.374 -9.192 3.310 1.00 0.00 C ATOM 0 H VAL A 72 5.274 -9.806 0.810 1.00 0.00 H new ATOM 0 HA VAL A 72 7.536 -8.237 0.815 1.00 0.00 H new ATOM 0 HB VAL A 72 6.822 -7.641 3.160 1.00 0.00 H new ATOM 0 HG11 VAL A 72 4.657 -6.700 2.482 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.887 -6.506 1.210 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.640 -7.767 1.058 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.751 -8.645 4.018 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.740 -9.786 2.652 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.049 -9.852 3.855 1.00 0.00 H new ATOM 1040 N ARG A 73 7.803 -10.954 2.629 1.00 0.00 N ATOM 1041 CA ARG A 73 8.755 -11.819 3.310 1.00 0.00 C ATOM 1042 C ARG A 73 10.020 -11.947 2.473 1.00 0.00 C ATOM 1043 O ARG A 73 11.124 -12.087 3.000 1.00 0.00 O ATOM 1044 CB ARG A 73 8.139 -13.200 3.539 1.00 0.00 C ATOM 1045 CG ARG A 73 8.738 -13.950 4.715 1.00 0.00 C ATOM 1046 CD ARG A 73 10.004 -14.692 4.317 1.00 0.00 C ATOM 1047 NE ARG A 73 9.739 -16.092 3.995 1.00 0.00 N ATOM 1048 CZ ARG A 73 10.631 -16.898 3.426 1.00 0.00 C ATOM 1049 NH1 ARG A 73 11.837 -16.443 3.120 1.00 0.00 N ATOM 1050 NH2 ARG A 73 10.315 -18.159 3.165 1.00 0.00 N ATOM 0 H ARG A 73 6.882 -11.369 2.485 1.00 0.00 H new ATOM 0 HA ARG A 73 9.006 -11.382 4.276 1.00 0.00 H new ATOM 0 HB2 ARG A 73 7.067 -13.087 3.700 1.00 0.00 H new ATOM 0 HB3 ARG A 73 8.265 -13.798 2.636 1.00 0.00 H new ATOM 0 HG2 ARG A 73 8.964 -13.249 5.518 1.00 0.00 H new ATOM 0 HG3 ARG A 73 8.008 -14.658 5.106 1.00 0.00 H new ATOM 0 HD2 ARG A 73 10.456 -14.201 3.455 1.00 0.00 H new ATOM 0 HD3 ARG A 73 10.727 -14.638 5.131 1.00 0.00 H new ATOM 0 HE ARG A 73 8.819 -16.472 4.219 1.00 0.00 H new ATOM 0 HH11 ARG A 73 12.082 -15.474 3.321 1.00 0.00 H new ATOM 0 HH12 ARG A 73 12.520 -17.062 2.684 1.00 0.00 H new ATOM 0 HH21 ARG A 73 9.387 -18.512 3.401 1.00 0.00 H new ATOM 0 HH22 ARG A 73 11.000 -18.776 2.729 1.00 0.00 H new ATOM 1064 N GLN A 74 9.840 -11.872 1.159 1.00 0.00 N ATOM 1065 CA GLN A 74 10.947 -11.956 0.215 1.00 0.00 C ATOM 1066 C GLN A 74 11.593 -10.587 0.017 1.00 0.00 C ATOM 1067 O GLN A 74 12.748 -10.493 -0.397 1.00 0.00 O ATOM 1068 CB GLN A 74 10.454 -12.500 -1.128 1.00 0.00 C ATOM 1069 CG GLN A 74 9.314 -13.498 -1.000 1.00 0.00 C ATOM 1070 CD GLN A 74 9.236 -14.454 -2.174 1.00 0.00 C ATOM 1071 OE1 GLN A 74 9.385 -14.051 -3.329 1.00 0.00 O ATOM 1072 NE2 GLN A 74 9.001 -15.728 -1.885 1.00 0.00 N ATOM 0 H GLN A 74 8.927 -11.752 0.720 1.00 0.00 H new ATOM 0 HA GLN A 74 11.695 -12.636 0.623 1.00 0.00 H new ATOM 0 HB2 GLN A 74 10.128 -11.667 -1.750 1.00 0.00 H new ATOM 0 HB3 GLN A 74 11.287 -12.977 -1.645 1.00 0.00 H new ATOM 0 HG2 GLN A 74 9.439 -14.069 -0.080 1.00 0.00 H new ATOM 0 HG3 GLN A 74 8.372 -12.957 -0.914 1.00 0.00 H new ATOM 0 HE21 GLN A 74 8.884 -16.017 -0.914 1.00 0.00 H new ATOM 0 HE22 GLN A 74 8.937 -16.418 -2.634 1.00 0.00 H new ATOM 1081 N LEU A 75 10.838 -9.531 0.318 1.00 0.00 N ATOM 1082 CA LEU A 75 11.336 -8.168 0.191 1.00 0.00 C ATOM 1083 C LEU A 75 12.446 -7.902 1.200 1.00 0.00 C ATOM 1084 O LEU A 75 12.286 -7.094 2.114 1.00 0.00 O ATOM 1085 CB LEU A 75 10.201 -7.165 0.389 1.00 0.00 C ATOM 1086 CG LEU A 75 9.515 -6.705 -0.867 1.00 0.00 C ATOM 1087 CD1 LEU A 75 9.290 -7.883 -1.813 1.00 0.00 C ATOM 1088 CD2 LEU A 75 8.192 -6.058 -0.490 1.00 0.00 C ATOM 0 H LEU A 75 9.877 -9.597 0.652 1.00 0.00 H new ATOM 0 HA LEU A 75 11.743 -8.049 -0.813 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.455 -7.612 1.046 1.00 0.00 H new ATOM 0 HB3 LEU A 75 10.598 -6.291 0.906 1.00 0.00 H new ATOM 0 HG LEU A 75 10.141 -5.978 -1.385 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.792 -7.533 -2.718 1.00 0.00 H new ATOM 0 HD12 LEU A 75 10.250 -8.327 -2.076 1.00 0.00 H new ATOM 0 HD13 LEU A 75 8.667 -8.630 -1.322 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.683 -5.719 -1.392 1.00 0.00 H new ATOM 0 HD22 LEU A 75 7.566 -6.784 0.029 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.377 -5.206 0.164 1.00 0.00 H new ATOM 1100 N ARG A 76 13.560 -8.602 1.038 1.00 0.00 N ATOM 1101 CA ARG A 76 14.693 -8.459 1.940 1.00 0.00 C ATOM 1102 C ARG A 76 15.202 -7.022 1.954 1.00 0.00 C ATOM 1103 O ARG A 76 14.997 -6.271 1.000 1.00 0.00 O ATOM 1104 CB ARG A 76 15.809 -9.419 1.526 1.00 0.00 C ATOM 1105 CG ARG A 76 15.352 -10.869 1.420 1.00 0.00 C ATOM 1106 CD ARG A 76 15.583 -11.618 2.722 1.00 0.00 C ATOM 1107 NE ARG A 76 16.959 -12.091 2.845 1.00 0.00 N ATOM 1108 CZ ARG A 76 17.460 -13.091 2.127 1.00 0.00 C ATOM 1109 NH1 ARG A 76 16.700 -13.722 1.243 1.00 0.00 N ATOM 1110 NH2 ARG A 76 18.723 -13.462 2.295 1.00 0.00 N ATOM 0 H ARG A 76 13.703 -9.277 0.287 1.00 0.00 H new ATOM 0 HA ARG A 76 14.366 -8.707 2.950 1.00 0.00 H new ATOM 0 HB2 ARG A 76 16.213 -9.102 0.564 1.00 0.00 H new ATOM 0 HB3 ARG A 76 16.621 -9.354 2.250 1.00 0.00 H new ATOM 0 HG2 ARG A 76 14.293 -10.901 1.163 1.00 0.00 H new ATOM 0 HG3 ARG A 76 15.891 -11.364 0.613 1.00 0.00 H new ATOM 0 HD2 ARG A 76 15.348 -10.965 3.562 1.00 0.00 H new ATOM 0 HD3 ARG A 76 14.902 -12.467 2.778 1.00 0.00 H new ATOM 0 HE ARG A 76 17.569 -11.629 3.519 1.00 0.00 H new ATOM 0 HH11 ARG A 76 15.728 -13.440 1.113 1.00 0.00 H new ATOM 0 HH12 ARG A 76 17.087 -14.489 0.693 1.00 0.00 H new ATOM 0 HH21 ARG A 76 19.310 -12.980 2.976 1.00 0.00 H new ATOM 0 HH22 ARG A 76 19.107 -14.230 1.744 1.00 0.00 H new ATOM 1124 N ARG A 77 15.851 -6.638 3.049 1.00 0.00 N ATOM 1125 CA ARG A 77 16.368 -5.282 3.197 1.00 0.00 C ATOM 1126 C ARG A 77 17.162 -4.854 1.967 1.00 0.00 C ATOM 1127 O ARG A 77 17.970 -5.619 1.439 1.00 0.00 O ATOM 1128 CB ARG A 77 17.246 -5.182 4.446 1.00 0.00 C ATOM 1129 CG ARG A 77 17.961 -3.847 4.581 1.00 0.00 C ATOM 1130 CD ARG A 77 19.292 -3.853 3.848 1.00 0.00 C ATOM 1131 NE ARG A 77 20.367 -3.290 4.660 1.00 0.00 N ATOM 1132 CZ ARG A 77 20.449 -2.001 4.979 1.00 0.00 C ATOM 1133 NH1 ARG A 77 19.524 -1.151 4.556 1.00 0.00 N ATOM 1134 NH2 ARG A 77 21.456 -1.563 5.722 1.00 0.00 N ATOM 0 H ARG A 77 16.031 -7.247 3.847 1.00 0.00 H new ATOM 0 HA ARG A 77 15.516 -4.610 3.302 1.00 0.00 H new ATOM 0 HB2 ARG A 77 16.628 -5.345 5.329 1.00 0.00 H new ATOM 0 HB3 ARG A 77 17.987 -5.981 4.424 1.00 0.00 H new ATOM 0 HG2 ARG A 77 17.329 -3.053 4.184 1.00 0.00 H new ATOM 0 HG3 ARG A 77 18.126 -3.626 5.636 1.00 0.00 H new ATOM 0 HD2 ARG A 77 19.547 -4.875 3.568 1.00 0.00 H new ATOM 0 HD3 ARG A 77 19.199 -3.283 2.924 1.00 0.00 H new ATOM 0 HE ARG A 77 21.094 -3.919 5.001 1.00 0.00 H new ATOM 0 HH11 ARG A 77 18.748 -1.485 3.985 1.00 0.00 H new ATOM 0 HH12 ARG A 77 19.589 -0.163 4.802 1.00 0.00 H new ATOM 0 HH21 ARG A 77 22.169 -2.215 6.050 1.00 0.00 H new ATOM 0 HH22 ARG A 77 21.518 -0.574 5.966 1.00 0.00 H new ATOM 1148 N GLY A 78 16.939 -3.619 1.530 1.00 0.00 N ATOM 1149 CA GLY A 78 17.628 -3.107 0.359 1.00 0.00 C ATOM 1150 C GLY A 78 16.704 -2.996 -0.834 1.00 0.00 C ATOM 1151 O GLY A 78 17.126 -3.150 -1.979 1.00 0.00 O ATOM 0 H GLY A 78 16.292 -2.962 1.967 1.00 0.00 H new ATOM 0 HA2 GLY A 78 18.049 -2.127 0.585 1.00 0.00 H new ATOM 0 HA3 GLY A 78 18.462 -3.764 0.112 1.00 0.00 H new ATOM 1155 N ASP A 79 15.431 -2.755 -0.552 1.00 0.00 N ATOM 1156 CA ASP A 79 14.418 -2.652 -1.591 1.00 0.00 C ATOM 1157 C ASP A 79 13.426 -1.535 -1.274 1.00 0.00 C ATOM 1158 O ASP A 79 13.077 -1.311 -0.115 1.00 0.00 O ATOM 1159 CB ASP A 79 13.687 -3.994 -1.727 1.00 0.00 C ATOM 1160 CG ASP A 79 12.460 -3.915 -2.616 1.00 0.00 C ATOM 1161 OD1 ASP A 79 12.622 -3.685 -3.833 1.00 0.00 O ATOM 1162 OD2 ASP A 79 11.337 -4.081 -2.094 1.00 0.00 O ATOM 0 H ASP A 79 15.074 -2.627 0.395 1.00 0.00 H new ATOM 0 HA ASP A 79 14.905 -2.409 -2.535 1.00 0.00 H new ATOM 0 HB2 ASP A 79 14.375 -4.736 -2.132 1.00 0.00 H new ATOM 0 HB3 ASP A 79 13.390 -4.341 -0.737 1.00 0.00 H new ATOM 1167 N THR A 80 12.968 -0.846 -2.313 1.00 0.00 N ATOM 1168 CA THR A 80 12.000 0.234 -2.149 1.00 0.00 C ATOM 1169 C THR A 80 10.658 -0.151 -2.765 1.00 0.00 C ATOM 1170 O THR A 80 10.608 -0.765 -3.830 1.00 0.00 O ATOM 1171 CB THR A 80 12.520 1.520 -2.794 1.00 0.00 C ATOM 1172 OG1 THR A 80 13.917 1.647 -2.602 1.00 0.00 O ATOM 1173 CG2 THR A 80 11.863 2.772 -2.253 1.00 0.00 C ATOM 0 H THR A 80 13.251 -1.015 -3.278 1.00 0.00 H new ATOM 0 HA THR A 80 11.859 0.407 -1.082 1.00 0.00 H new ATOM 0 HB THR A 80 12.274 1.432 -3.852 1.00 0.00 H new ATOM 0 HG1 THR A 80 14.231 2.474 -3.023 1.00 0.00 H new ATOM 0 HG21 THR A 80 12.279 3.646 -2.754 1.00 0.00 H new ATOM 0 HG22 THR A 80 10.789 2.726 -2.434 1.00 0.00 H new ATOM 0 HG23 THR A 80 12.048 2.846 -1.181 1.00 0.00 H new ATOM 1181 N LEU A 81 9.574 0.210 -2.088 1.00 0.00 N ATOM 1182 CA LEU A 81 8.235 -0.111 -2.560 1.00 0.00 C ATOM 1183 C LEU A 81 7.340 1.127 -2.500 1.00 0.00 C ATOM 1184 O LEU A 81 7.645 2.085 -1.798 1.00 0.00 O ATOM 1185 CB LEU A 81 7.632 -1.257 -1.729 1.00 0.00 C ATOM 1186 CG LEU A 81 8.407 -1.631 -0.457 1.00 0.00 C ATOM 1187 CD1 LEU A 81 7.462 -2.104 0.637 1.00 0.00 C ATOM 1188 CD2 LEU A 81 9.446 -2.699 -0.763 1.00 0.00 C ATOM 0 H LEU A 81 9.598 0.726 -1.209 1.00 0.00 H new ATOM 0 HA LEU A 81 8.301 -0.439 -3.597 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.616 -0.982 -1.446 1.00 0.00 H new ATOM 0 HB3 LEU A 81 7.558 -2.141 -2.362 1.00 0.00 H new ATOM 0 HG LEU A 81 8.920 -0.739 -0.098 1.00 0.00 H new ATOM 0 HD11 LEU A 81 8.036 -2.363 1.527 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.757 -1.308 0.878 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.914 -2.981 0.291 1.00 0.00 H new ATOM 0 HD21 LEU A 81 9.986 -2.953 0.149 1.00 0.00 H new ATOM 0 HD22 LEU A 81 8.950 -3.589 -1.150 1.00 0.00 H new ATOM 0 HD23 LEU A 81 10.147 -2.322 -1.507 1.00 0.00 H new ATOM 1200 N THR A 82 6.266 1.121 -3.280 1.00 0.00 N ATOM 1201 CA THR A 82 5.337 2.250 -3.328 1.00 0.00 C ATOM 1202 C THR A 82 3.944 1.806 -2.893 1.00 0.00 C ATOM 1203 O THR A 82 3.436 0.807 -3.389 1.00 0.00 O ATOM 1204 CB THR A 82 5.278 2.798 -4.753 1.00 0.00 C ATOM 1205 OG1 THR A 82 5.531 1.768 -5.694 1.00 0.00 O ATOM 1206 CG2 THR A 82 6.272 3.903 -5.006 1.00 0.00 C ATOM 0 H THR A 82 6.014 0.345 -3.891 1.00 0.00 H new ATOM 0 HA THR A 82 5.687 3.028 -2.649 1.00 0.00 H new ATOM 0 HB THR A 82 4.272 3.202 -4.869 1.00 0.00 H new ATOM 0 HG1 THR A 82 5.488 2.136 -6.601 1.00 0.00 H new ATOM 0 HG21 THR A 82 6.178 4.248 -6.036 1.00 0.00 H new ATOM 0 HG22 THR A 82 6.075 4.732 -4.326 1.00 0.00 H new ATOM 0 HG23 THR A 82 7.282 3.529 -4.839 1.00 0.00 H new ATOM 1214 N ILE A 83 3.317 2.542 -1.975 1.00 0.00 N ATOM 1215 CA ILE A 83 1.993 2.141 -1.491 1.00 0.00 C ATOM 1216 C ILE A 83 0.904 3.191 -1.816 1.00 0.00 C ATOM 1217 O ILE A 83 0.731 3.533 -2.985 1.00 0.00 O ATOM 1218 CB ILE A 83 2.036 1.738 0.003 1.00 0.00 C ATOM 1219 CG1 ILE A 83 0.702 1.158 0.484 1.00 0.00 C ATOM 1220 CG2 ILE A 83 2.478 2.903 0.860 1.00 0.00 C ATOM 1221 CD1 ILE A 83 0.847 -0.191 1.140 1.00 0.00 C ATOM 0 H ILE A 83 3.690 3.396 -1.560 1.00 0.00 H new ATOM 0 HA ILE A 83 1.699 1.247 -2.040 1.00 0.00 H new ATOM 0 HB ILE A 83 2.775 0.943 0.106 1.00 0.00 H new ATOM 0 HG12 ILE A 83 0.244 1.851 1.190 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.023 1.072 -0.364 1.00 0.00 H new ATOM 0 HG21 ILE A 83 2.501 2.597 1.906 1.00 0.00 H new ATOM 0 HG22 ILE A 83 3.474 3.223 0.553 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.778 3.730 0.739 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -0.132 -0.548 1.459 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.277 -0.897 0.429 1.00 0.00 H new ATOM 0 HD13 ILE A 83 1.502 -0.105 2.007 1.00 0.00 H new ATOM 1233 N GLY A 84 0.095 3.619 -0.837 1.00 0.00 N ATOM 1234 CA GLY A 84 -0.963 4.566 -1.130 1.00 0.00 C ATOM 1235 C GLY A 84 -0.410 5.933 -1.430 1.00 0.00 C ATOM 1236 O GLY A 84 -0.860 6.617 -2.349 1.00 0.00 O ATOM 0 H GLY A 84 0.158 3.327 0.138 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -1.544 4.212 -1.982 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -1.645 4.626 -0.282 1.00 0.00 H new ATOM 1240 N GLU A 85 0.598 6.311 -0.663 1.00 0.00 N ATOM 1241 CA GLU A 85 1.296 7.564 -0.880 1.00 0.00 C ATOM 1242 C GLU A 85 2.475 7.351 -1.830 1.00 0.00 C ATOM 1243 O GLU A 85 3.346 8.212 -1.955 1.00 0.00 O ATOM 1244 CB GLU A 85 1.787 8.136 0.451 1.00 0.00 C ATOM 1245 CG GLU A 85 0.729 8.127 1.544 1.00 0.00 C ATOM 1246 CD GLU A 85 -0.594 8.704 1.080 1.00 0.00 C ATOM 1247 OE1 GLU A 85 -0.636 9.911 0.761 1.00 0.00 O ATOM 1248 OE2 GLU A 85 -1.588 7.950 1.037 1.00 0.00 O ATOM 0 H GLU A 85 0.952 5.763 0.121 1.00 0.00 H new ATOM 0 HA GLU A 85 0.605 8.276 -1.331 1.00 0.00 H new ATOM 0 HB2 GLU A 85 2.650 7.562 0.788 1.00 0.00 H new ATOM 0 HB3 GLU A 85 2.127 9.160 0.294 1.00 0.00 H new ATOM 0 HG2 GLU A 85 0.575 7.104 1.887 1.00 0.00 H new ATOM 0 HG3 GLU A 85 1.090 8.698 2.399 1.00 0.00 H new ATOM 1255 N GLU A 86 2.499 6.190 -2.493 1.00 0.00 N ATOM 1256 CA GLU A 86 3.554 5.863 -3.436 1.00 0.00 C ATOM 1257 C GLU A 86 4.901 5.740 -2.741 1.00 0.00 C ATOM 1258 O GLU A 86 5.940 5.955 -3.364 1.00 0.00 O ATOM 1259 CB GLU A 86 3.631 6.934 -4.527 1.00 0.00 C ATOM 1260 CG GLU A 86 2.750 6.640 -5.731 1.00 0.00 C ATOM 1261 CD GLU A 86 3.113 7.484 -6.938 1.00 0.00 C ATOM 1262 OE1 GLU A 86 3.140 8.726 -6.807 1.00 0.00 O ATOM 1263 OE2 GLU A 86 3.369 6.903 -8.013 1.00 0.00 O ATOM 0 H GLU A 86 1.792 5.463 -2.387 1.00 0.00 H new ATOM 0 HA GLU A 86 3.315 4.899 -3.885 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.342 7.895 -4.102 1.00 0.00 H new ATOM 0 HB3 GLU A 86 4.665 7.030 -4.858 1.00 0.00 H new ATOM 0 HG2 GLU A 86 2.836 5.585 -5.991 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.708 6.819 -5.467 1.00 0.00 H new ATOM 1270 N ASN A 87 4.896 5.515 -1.430 1.00 0.00 N ATOM 1271 CA ASN A 87 6.161 5.383 -0.717 1.00 0.00 C ATOM 1272 C ASN A 87 6.124 4.374 0.432 1.00 0.00 C ATOM 1273 O ASN A 87 5.508 4.604 1.472 1.00 0.00 O ATOM 1274 CB ASN A 87 6.646 6.745 -0.231 1.00 0.00 C ATOM 1275 CG ASN A 87 8.022 7.076 -0.780 1.00 0.00 C ATOM 1276 OD1 ASN A 87 8.291 6.880 -1.966 1.00 0.00 O ATOM 1277 ND2 ASN A 87 8.907 7.576 0.076 1.00 0.00 N ATOM 0 H ASN A 87 4.058 5.423 -0.855 1.00 0.00 H new ATOM 0 HA ASN A 87 6.873 4.981 -1.438 1.00 0.00 H new ATOM 0 HB2 ASN A 87 5.937 7.515 -0.536 1.00 0.00 H new ATOM 0 HB3 ASN A 87 6.676 6.754 0.859 1.00 0.00 H new ATOM 0 HD21 ASN A 87 9.847 7.812 -0.242 1.00 0.00 H new ATOM 0 HD22 ASN A 87 8.646 7.724 1.051 1.00 0.00 H new ATOM 1284 N PHE A 88 6.867 3.292 0.240 1.00 0.00 N ATOM 1285 CA PHE A 88 7.064 2.250 1.240 1.00 0.00 C ATOM 1286 C PHE A 88 8.513 1.784 1.165 1.00 0.00 C ATOM 1287 O PHE A 88 8.995 1.417 0.094 1.00 0.00 O ATOM 1288 CB PHE A 88 6.152 1.054 0.964 1.00 0.00 C ATOM 1289 CG PHE A 88 4.993 0.861 1.900 1.00 0.00 C ATOM 1290 CD1 PHE A 88 4.557 1.874 2.724 1.00 0.00 C ATOM 1291 CD2 PHE A 88 4.335 -0.359 1.938 1.00 0.00 C ATOM 1292 CE1 PHE A 88 3.478 1.681 3.570 1.00 0.00 C ATOM 1293 CE2 PHE A 88 3.266 -0.561 2.787 1.00 0.00 C ATOM 1294 CZ PHE A 88 2.822 0.467 3.588 1.00 0.00 C ATOM 0 H PHE A 88 7.360 3.110 -0.634 1.00 0.00 H new ATOM 0 HA PHE A 88 6.828 2.651 2.226 1.00 0.00 H new ATOM 0 HB2 PHE A 88 5.760 1.151 -0.048 1.00 0.00 H new ATOM 0 HB3 PHE A 88 6.760 0.150 0.984 1.00 0.00 H new ATOM 0 HD1 PHE A 88 5.062 2.829 2.710 1.00 0.00 H new ATOM 0 HD2 PHE A 88 4.664 -1.162 1.295 1.00 0.00 H new ATOM 0 HE1 PHE A 88 3.149 2.481 4.216 1.00 0.00 H new ATOM 0 HE2 PHE A 88 2.778 -1.524 2.823 1.00 0.00 H new ATOM 0 HZ PHE A 88 1.964 0.324 4.228 1.00 0.00 H new ATOM 1304 N TRP A 89 9.210 1.808 2.280 1.00 0.00 N ATOM 1305 CA TRP A 89 10.596 1.361 2.305 1.00 0.00 C ATOM 1306 C TRP A 89 10.750 0.181 3.237 1.00 0.00 C ATOM 1307 O TRP A 89 10.073 0.100 4.261 1.00 0.00 O ATOM 1308 CB TRP A 89 11.549 2.485 2.714 1.00 0.00 C ATOM 1309 CG TRP A 89 11.589 3.613 1.731 1.00 0.00 C ATOM 1310 CD1 TRP A 89 10.522 4.281 1.206 1.00 0.00 C ATOM 1311 CD2 TRP A 89 12.758 4.189 1.135 1.00 0.00 C ATOM 1312 NE1 TRP A 89 10.956 5.245 0.327 1.00 0.00 N ATOM 1313 CE2 TRP A 89 12.323 5.208 0.266 1.00 0.00 C ATOM 1314 CE3 TRP A 89 14.129 3.945 1.256 1.00 0.00 C ATOM 1315 CZ2 TRP A 89 13.211 5.981 -0.476 1.00 0.00 C ATOM 1316 CZ3 TRP A 89 15.010 4.715 0.518 1.00 0.00 C ATOM 1317 CH2 TRP A 89 14.548 5.722 -0.338 1.00 0.00 C ATOM 0 H TRP A 89 8.848 2.129 3.178 1.00 0.00 H new ATOM 0 HA TRP A 89 10.861 1.056 1.293 1.00 0.00 H new ATOM 0 HB2 TRP A 89 11.248 2.871 3.688 1.00 0.00 H new ATOM 0 HB3 TRP A 89 12.553 2.077 2.830 1.00 0.00 H new ATOM 0 HD1 TRP A 89 9.488 4.082 1.446 1.00 0.00 H new ATOM 0 HE1 TRP A 89 10.357 5.884 -0.195 1.00 0.00 H new ATOM 0 HE3 TRP A 89 14.494 3.170 1.913 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 12.858 6.758 -1.138 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 16.072 4.536 0.604 1.00 0.00 H new ATOM 0 HH2 TRP A 89 15.261 6.306 -0.901 1.00 0.00 H new ATOM 1328 N VAL A 90 11.629 -0.742 2.884 1.00 0.00 N ATOM 1329 CA VAL A 90 11.811 -1.918 3.704 1.00 0.00 C ATOM 1330 C VAL A 90 12.773 -1.613 4.836 1.00 0.00 C ATOM 1331 O VAL A 90 13.976 -1.435 4.640 1.00 0.00 O ATOM 1332 CB VAL A 90 12.340 -3.118 2.892 1.00 0.00 C ATOM 1333 CG1 VAL A 90 13.753 -2.863 2.393 1.00 0.00 C ATOM 1334 CG2 VAL A 90 12.284 -4.383 3.732 1.00 0.00 C ATOM 0 H VAL A 90 12.216 -0.699 2.051 1.00 0.00 H new ATOM 0 HA VAL A 90 10.834 -2.190 4.103 1.00 0.00 H new ATOM 0 HB VAL A 90 11.701 -3.250 2.019 1.00 0.00 H new ATOM 0 HG11 VAL A 90 14.099 -3.726 1.824 1.00 0.00 H new ATOM 0 HG12 VAL A 90 13.759 -1.980 1.753 1.00 0.00 H new ATOM 0 HG13 VAL A 90 14.415 -2.700 3.243 1.00 0.00 H new ATOM 0 HG21 VAL A 90 12.660 -5.224 3.149 1.00 0.00 H new ATOM 0 HG22 VAL A 90 12.899 -4.256 4.623 1.00 0.00 H new ATOM 0 HG23 VAL A 90 11.253 -4.578 4.027 1.00 0.00 H new ATOM 1344 N ASP A 91 12.200 -1.522 6.021 1.00 0.00 N ATOM 1345 CA ASP A 91 12.939 -1.226 7.229 1.00 0.00 C ATOM 1346 C ASP A 91 13.358 -2.513 7.943 1.00 0.00 C ATOM 1347 O ASP A 91 14.097 -2.471 8.926 1.00 0.00 O ATOM 1348 CB ASP A 91 12.060 -0.373 8.139 1.00 0.00 C ATOM 1349 CG ASP A 91 12.846 0.302 9.246 1.00 0.00 C ATOM 1350 OD1 ASP A 91 13.531 1.306 8.962 1.00 0.00 O ATOM 1351 OD2 ASP A 91 12.776 -0.175 10.399 1.00 0.00 O ATOM 0 H ASP A 91 11.200 -1.653 6.171 1.00 0.00 H new ATOM 0 HA ASP A 91 13.848 -0.682 6.974 1.00 0.00 H new ATOM 0 HB2 ASP A 91 11.555 0.387 7.542 1.00 0.00 H new ATOM 0 HB3 ASP A 91 11.284 -0.999 8.580 1.00 0.00 H new ATOM 1356 N ARG A 92 12.893 -3.655 7.417 1.00 0.00 N ATOM 1357 CA ARG A 92 13.201 -4.980 7.964 1.00 0.00 C ATOM 1358 C ARG A 92 14.602 -5.056 8.556 1.00 0.00 C ATOM 1359 O ARG A 92 15.490 -4.283 8.194 1.00 0.00 O ATOM 1360 CB ARG A 92 13.053 -6.037 6.871 1.00 0.00 C ATOM 1361 CG ARG A 92 11.614 -6.257 6.452 1.00 0.00 C ATOM 1362 CD ARG A 92 11.223 -7.723 6.540 1.00 0.00 C ATOM 1363 NE ARG A 92 12.139 -8.580 5.794 1.00 0.00 N ATOM 1364 CZ ARG A 92 11.918 -9.869 5.562 1.00 0.00 C ATOM 1365 NH1 ARG A 92 10.813 -10.445 6.016 1.00 0.00 N ATOM 1366 NH2 ARG A 92 12.799 -10.583 4.875 1.00 0.00 N ATOM 0 H ARG A 92 12.289 -3.683 6.595 1.00 0.00 H new ATOM 0 HA ARG A 92 12.493 -5.167 8.772 1.00 0.00 H new ATOM 0 HB2 ARG A 92 13.637 -5.737 6.001 1.00 0.00 H new ATOM 0 HB3 ARG A 92 13.471 -6.979 7.225 1.00 0.00 H new ATOM 0 HG2 ARG A 92 10.955 -5.665 7.088 1.00 0.00 H new ATOM 0 HG3 ARG A 92 11.474 -5.903 5.431 1.00 0.00 H new ATOM 0 HD2 ARG A 92 11.208 -8.032 7.585 1.00 0.00 H new ATOM 0 HD3 ARG A 92 10.211 -7.852 6.155 1.00 0.00 H new ATOM 0 HE ARG A 92 12.997 -8.166 5.430 1.00 0.00 H new ATOM 0 HH11 ARG A 92 10.133 -9.898 6.543 1.00 0.00 H new ATOM 0 HH12 ARG A 92 10.644 -11.435 5.838 1.00 0.00 H new ATOM 0 HH21 ARG A 92 13.649 -10.143 4.523 1.00 0.00 H new ATOM 0 HH22 ARG A 92 12.627 -11.573 4.698 1.00 0.00 H new ATOM 1380 N VAL A 93 14.800 -6.018 9.446 1.00 0.00 N ATOM 1381 CA VAL A 93 16.071 -6.158 10.135 1.00 0.00 C ATOM 1382 C VAL A 93 16.369 -7.621 10.449 1.00 0.00 C ATOM 1383 O VAL A 93 15.539 -8.324 11.024 1.00 0.00 O ATOM 1384 CB VAL A 93 16.074 -5.345 11.446 1.00 0.00 C ATOM 1385 CG1 VAL A 93 17.497 -4.999 11.857 1.00 0.00 C ATOM 1386 CG2 VAL A 93 15.227 -4.083 11.303 1.00 0.00 C ATOM 0 H VAL A 93 14.098 -6.710 9.706 1.00 0.00 H new ATOM 0 HA VAL A 93 16.846 -5.775 9.471 1.00 0.00 H new ATOM 0 HB VAL A 93 15.633 -5.959 12.231 1.00 0.00 H new ATOM 0 HG11 VAL A 93 17.479 -4.426 12.784 1.00 0.00 H new ATOM 0 HG12 VAL A 93 18.065 -5.917 12.009 1.00 0.00 H new ATOM 0 HG13 VAL A 93 17.968 -4.406 11.073 1.00 0.00 H new ATOM 0 HG21 VAL A 93 15.244 -3.526 12.240 1.00 0.00 H new ATOM 0 HG22 VAL A 93 15.631 -3.462 10.504 1.00 0.00 H new ATOM 0 HG23 VAL A 93 14.200 -4.359 11.063 1.00 0.00 H new ATOM 1396 N SER A 94 17.559 -8.072 10.064 1.00 0.00 N ATOM 1397 CA SER A 94 17.966 -9.452 10.303 1.00 0.00 C ATOM 1398 C SER A 94 16.938 -10.429 9.737 1.00 0.00 C ATOM 1399 O SER A 94 16.147 -11.010 10.480 1.00 0.00 O ATOM 1400 CB SER A 94 18.150 -9.701 11.800 1.00 0.00 C ATOM 1401 OG SER A 94 18.750 -10.963 12.037 1.00 0.00 O ATOM 0 H SER A 94 18.257 -7.503 9.586 1.00 0.00 H new ATOM 0 HA SER A 94 18.916 -9.616 9.795 1.00 0.00 H new ATOM 0 HB2 SER A 94 18.770 -8.914 12.229 1.00 0.00 H new ATOM 0 HB3 SER A 94 17.183 -9.655 12.301 1.00 0.00 H new ATOM 0 HG SER A 94 18.131 -11.675 11.770 1.00 0.00 H new ATOM 1407 N PRO A 95 16.935 -10.621 8.407 1.00 0.00 N ATOM 1408 CA PRO A 95 15.994 -11.529 7.741 1.00 0.00 C ATOM 1409 C PRO A 95 16.103 -12.959 8.263 1.00 0.00 C ATOM 1410 O PRO A 95 15.096 -13.648 8.428 1.00 0.00 O ATOM 1411 CB PRO A 95 16.408 -11.466 6.267 1.00 0.00 C ATOM 1412 CG PRO A 95 17.151 -10.181 6.130 1.00 0.00 C ATOM 1413 CD PRO A 95 17.839 -9.964 7.447 1.00 0.00 C ATOM 0 HA PRO A 95 14.959 -11.237 7.916 1.00 0.00 H new ATOM 0 HB2 PRO A 95 17.035 -12.315 5.996 1.00 0.00 H new ATOM 0 HB3 PRO A 95 15.538 -11.491 5.611 1.00 0.00 H new ATOM 0 HG2 PRO A 95 17.873 -10.232 5.315 1.00 0.00 H new ATOM 0 HG3 PRO A 95 16.472 -9.359 5.903 1.00 0.00 H new ATOM 0 HD2 PRO A 95 18.834 -10.409 7.460 1.00 0.00 H new ATOM 0 HD3 PRO A 95 17.961 -8.904 7.668 1.00 0.00 H new ATOM 1421 N ASP A 96 17.330 -13.398 8.521 1.00 0.00 N ATOM 1422 CA ASP A 96 17.570 -14.746 9.022 1.00 0.00 C ATOM 1423 C ASP A 96 17.792 -14.738 10.531 1.00 0.00 C ATOM 1424 O ASP A 96 18.430 -13.833 11.069 1.00 0.00 O ATOM 1425 CB ASP A 96 18.782 -15.364 8.320 1.00 0.00 C ATOM 1426 CG ASP A 96 18.660 -15.323 6.810 1.00 0.00 C ATOM 1427 OD1 ASP A 96 17.651 -14.782 6.310 1.00 0.00 O ATOM 1428 OD2 ASP A 96 19.573 -15.832 6.126 1.00 0.00 O ATOM 0 H ASP A 96 18.174 -12.840 8.391 1.00 0.00 H new ATOM 0 HA ASP A 96 16.687 -15.348 8.808 1.00 0.00 H new ATOM 0 HB2 ASP A 96 19.684 -14.832 8.623 1.00 0.00 H new ATOM 0 HB3 ASP A 96 18.898 -16.398 8.644 1.00 0.00 H new ATOM 1433 N ASP A 97 17.264 -15.753 11.209 1.00 0.00 N ATOM 1434 CA ASP A 97 17.405 -15.862 12.655 1.00 0.00 C ATOM 1435 C ASP A 97 16.634 -14.754 13.365 1.00 0.00 C ATOM 1436 O ASP A 97 17.054 -13.598 13.372 1.00 0.00 O ATOM 1437 CB ASP A 97 18.882 -15.800 13.050 1.00 0.00 C ATOM 1438 CG ASP A 97 19.767 -16.586 12.102 1.00 0.00 C ATOM 1439 OD1 ASP A 97 19.717 -17.834 12.139 1.00 0.00 O ATOM 1440 OD2 ASP A 97 20.512 -15.953 11.324 1.00 0.00 O ATOM 0 H ASP A 97 16.735 -16.511 10.779 1.00 0.00 H new ATOM 0 HA ASP A 97 16.991 -16.822 12.962 1.00 0.00 H new ATOM 0 HB2 ASP A 97 19.207 -14.760 13.068 1.00 0.00 H new ATOM 0 HB3 ASP A 97 19.002 -16.189 14.061 1.00 0.00 H new ATOM 1445 N GLY A 98 15.503 -15.116 13.963 1.00 0.00 N ATOM 1446 CA GLY A 98 14.693 -14.141 14.669 1.00 0.00 C ATOM 1447 C GLY A 98 13.222 -14.503 14.673 1.00 0.00 C ATOM 1448 O GLY A 98 12.721 -15.087 15.634 1.00 0.00 O ATOM 0 H GLY A 98 15.134 -16.067 13.971 1.00 0.00 H new ATOM 0 HA2 GLY A 98 15.046 -14.056 15.697 1.00 0.00 H new ATOM 0 HA3 GLY A 98 14.822 -13.163 14.206 1.00 0.00 H new ATOM 1452 N GLY A 99 12.525 -14.155 13.595 1.00 0.00 N ATOM 1453 CA GLY A 99 11.109 -14.456 13.499 1.00 0.00 C ATOM 1454 C GLY A 99 10.510 -14.012 12.179 1.00 0.00 C ATOM 1455 O GLY A 99 9.676 -14.711 11.602 1.00 0.00 O ATOM 0 H GLY A 99 12.916 -13.670 12.787 1.00 0.00 H new ATOM 0 HA2 GLY A 99 10.960 -15.529 13.620 1.00 0.00 H new ATOM 0 HA3 GLY A 99 10.580 -13.967 14.317 1.00 0.00 H new ATOM 1459 N SER A 100 10.937 -12.849 11.698 1.00 0.00 N ATOM 1460 CA SER A 100 10.437 -12.313 10.439 1.00 0.00 C ATOM 1461 C SER A 100 8.912 -12.313 10.413 1.00 0.00 C ATOM 1462 O SER A 100 8.263 -12.495 11.443 1.00 0.00 O ATOM 1463 CB SER A 100 10.977 -13.129 9.263 1.00 0.00 C ATOM 1464 OG SER A 100 11.906 -14.104 9.704 1.00 0.00 O ATOM 0 H SER A 100 11.629 -12.260 12.162 1.00 0.00 H new ATOM 0 HA SER A 100 10.784 -11.284 10.349 1.00 0.00 H new ATOM 0 HB2 SER A 100 10.151 -13.617 8.745 1.00 0.00 H new ATOM 0 HB3 SER A 100 11.456 -12.464 8.544 1.00 0.00 H new ATOM 0 HG SER A 100 12.235 -14.614 8.934 1.00 0.00 H new ATOM 1470 N CYS A 101 8.345 -12.115 9.227 1.00 0.00 N ATOM 1471 CA CYS A 101 6.895 -12.098 9.062 1.00 0.00 C ATOM 1472 C CYS A 101 6.292 -10.824 9.646 1.00 0.00 C ATOM 1473 O CYS A 101 5.125 -10.803 10.039 1.00 0.00 O ATOM 1474 CB CYS A 101 6.268 -13.326 9.727 1.00 0.00 C ATOM 1475 SG CYS A 101 4.813 -13.971 8.869 1.00 0.00 S ATOM 0 H CYS A 101 8.868 -11.964 8.365 1.00 0.00 H new ATOM 0 HA CYS A 101 6.678 -12.122 7.994 1.00 0.00 H new ATOM 0 HB2 CYS A 101 7.018 -14.114 9.790 1.00 0.00 H new ATOM 0 HB3 CYS A 101 5.989 -13.069 10.749 1.00 0.00 H new ATOM 0 HG CYS A 101 4.358 -15.008 9.507 1.00 0.00 H new ATOM 1481 N HIS A 102 7.092 -9.763 9.700 1.00 0.00 N ATOM 1482 CA HIS A 102 6.624 -8.479 10.209 1.00 0.00 C ATOM 1483 C HIS A 102 6.744 -7.419 9.144 1.00 0.00 C ATOM 1484 O HIS A 102 5.835 -6.616 8.938 1.00 0.00 O ATOM 1485 CB HIS A 102 7.432 -8.035 11.437 1.00 0.00 C ATOM 1486 CG HIS A 102 8.010 -9.166 12.231 1.00 0.00 C ATOM 1487 ND1 HIS A 102 7.419 -9.662 13.374 1.00 0.00 N ATOM 1488 CD2 HIS A 102 9.137 -9.895 12.046 1.00 0.00 C ATOM 1489 CE1 HIS A 102 8.154 -10.647 13.857 1.00 0.00 C ATOM 1490 NE2 HIS A 102 9.202 -10.808 13.070 1.00 0.00 N ATOM 0 H HIS A 102 8.066 -9.768 9.398 1.00 0.00 H new ATOM 0 HA HIS A 102 5.580 -8.605 10.497 1.00 0.00 H new ATOM 0 HB2 HIS A 102 8.242 -7.384 11.109 1.00 0.00 H new ATOM 0 HB3 HIS A 102 6.789 -7.441 12.086 1.00 0.00 H new ATOM 0 HD1 HIS A 102 6.549 -9.321 13.783 1.00 0.00 H new ATOM 0 HD2 HIS A 102 9.851 -9.780 11.244 1.00 0.00 H new ATOM 0 HE1 HIS A 102 7.935 -11.223 14.744 1.00 0.00 H new ATOM 1499 N LEU A 103 7.890 -7.404 8.487 1.00 0.00 N ATOM 1500 CA LEU A 103 8.166 -6.405 7.482 1.00 0.00 C ATOM 1501 C LEU A 103 7.945 -5.016 8.057 1.00 0.00 C ATOM 1502 O LEU A 103 6.814 -4.539 8.154 1.00 0.00 O ATOM 1503 CB LEU A 103 7.291 -6.607 6.254 1.00 0.00 C ATOM 1504 CG LEU A 103 7.756 -5.828 5.019 1.00 0.00 C ATOM 1505 CD1 LEU A 103 8.784 -6.633 4.238 1.00 0.00 C ATOM 1506 CD2 LEU A 103 6.578 -5.467 4.135 1.00 0.00 C ATOM 0 H LEU A 103 8.643 -8.076 8.635 1.00 0.00 H new ATOM 0 HA LEU A 103 9.207 -6.507 7.177 1.00 0.00 H new ATOM 0 HB2 LEU A 103 7.264 -7.669 6.011 1.00 0.00 H new ATOM 0 HB3 LEU A 103 6.271 -6.309 6.495 1.00 0.00 H new ATOM 0 HG LEU A 103 8.224 -4.903 5.355 1.00 0.00 H new ATOM 0 HD11 LEU A 103 9.103 -6.065 3.364 1.00 0.00 H new ATOM 0 HD12 LEU A 103 9.646 -6.837 4.873 1.00 0.00 H new ATOM 0 HD13 LEU A 103 8.340 -7.575 3.916 1.00 0.00 H new ATOM 0 HD21 LEU A 103 6.932 -4.915 3.265 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.076 -6.378 3.807 1.00 0.00 H new ATOM 0 HD23 LEU A 103 5.878 -4.849 4.697 1.00 0.00 H new ATOM 1518 N TRP A 104 9.036 -4.366 8.407 1.00 0.00 N ATOM 1519 CA TRP A 104 8.987 -3.052 8.999 1.00 0.00 C ATOM 1520 C TRP A 104 9.202 -2.008 7.911 1.00 0.00 C ATOM 1521 O TRP A 104 10.006 -2.209 7.006 1.00 0.00 O ATOM 1522 CB TRP A 104 10.040 -2.975 10.099 1.00 0.00 C ATOM 1523 CG TRP A 104 9.460 -3.070 11.476 1.00 0.00 C ATOM 1524 CD1 TRP A 104 8.885 -2.067 12.200 1.00 0.00 C ATOM 1525 CD2 TRP A 104 9.380 -4.248 12.287 1.00 0.00 C ATOM 1526 NE1 TRP A 104 8.469 -2.545 13.419 1.00 0.00 N ATOM 1527 CE2 TRP A 104 8.758 -3.881 13.496 1.00 0.00 C ATOM 1528 CE3 TRP A 104 9.779 -5.576 12.110 1.00 0.00 C ATOM 1529 CZ2 TRP A 104 8.524 -4.796 14.520 1.00 0.00 C ATOM 1530 CZ3 TRP A 104 9.547 -6.482 13.128 1.00 0.00 C ATOM 1531 CH2 TRP A 104 8.924 -6.088 14.320 1.00 0.00 C ATOM 0 H TRP A 104 9.979 -4.736 8.288 1.00 0.00 H new ATOM 0 HA TRP A 104 8.015 -2.855 9.452 1.00 0.00 H new ATOM 0 HB2 TRP A 104 10.762 -3.779 9.959 1.00 0.00 H new ATOM 0 HB3 TRP A 104 10.586 -2.036 10.005 1.00 0.00 H new ATOM 0 HD1 TRP A 104 8.773 -1.047 11.864 1.00 0.00 H new ATOM 0 HE1 TRP A 104 8.018 -1.994 14.149 1.00 0.00 H new ATOM 0 HE3 TRP A 104 10.260 -5.888 11.195 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 8.044 -4.495 15.439 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 9.851 -7.511 13.003 1.00 0.00 H new ATOM 0 HH2 TRP A 104 8.756 -6.820 15.096 1.00 0.00 H new ATOM 1542 N LEU A 105 8.368 -0.971 7.915 1.00 0.00 N ATOM 1543 CA LEU A 105 8.352 -0.014 6.820 1.00 0.00 C ATOM 1544 C LEU A 105 8.980 1.329 7.145 1.00 0.00 C ATOM 1545 O LEU A 105 9.023 1.765 8.296 1.00 0.00 O ATOM 1546 CB LEU A 105 6.921 0.263 6.388 1.00 0.00 C ATOM 1547 CG LEU A 105 6.049 -0.961 6.178 1.00 0.00 C ATOM 1548 CD1 LEU A 105 5.628 -1.538 7.518 1.00 0.00 C ATOM 1549 CD2 LEU A 105 4.850 -0.581 5.353 1.00 0.00 C ATOM 0 H LEU A 105 7.700 -0.775 8.661 1.00 0.00 H new ATOM 0 HA LEU A 105 8.945 -0.484 6.036 1.00 0.00 H new ATOM 0 HB2 LEU A 105 6.450 0.897 7.139 1.00 0.00 H new ATOM 0 HB3 LEU A 105 6.945 0.833 5.459 1.00 0.00 H new ATOM 0 HG LEU A 105 6.613 -1.727 5.645 1.00 0.00 H new ATOM 0 HD11 LEU A 105 5.003 -2.416 7.356 1.00 0.00 H new ATOM 0 HD12 LEU A 105 6.514 -1.823 8.086 1.00 0.00 H new ATOM 0 HD13 LEU A 105 5.065 -0.790 8.076 1.00 0.00 H new ATOM 0 HD21 LEU A 105 4.221 -1.458 5.200 1.00 0.00 H new ATOM 0 HD22 LEU A 105 4.280 0.188 5.873 1.00 0.00 H new ATOM 0 HD23 LEU A 105 5.180 -0.198 4.387 1.00 0.00 H new ATOM 1561 N GLY A 106 9.321 2.028 6.073 1.00 0.00 N ATOM 1562 CA GLY A 106 9.799 3.390 6.151 1.00 0.00 C ATOM 1563 C GLY A 106 9.166 4.236 5.052 1.00 0.00 C ATOM 1564 O GLY A 106 9.548 4.136 3.890 1.00 0.00 O ATOM 0 H GLY A 106 9.272 1.660 5.123 1.00 0.00 H new ATOM 0 HA2 GLY A 106 9.560 3.811 7.127 1.00 0.00 H new ATOM 0 HA3 GLY A 106 10.884 3.408 6.054 1.00 0.00 H new ATOM 1568 N ARG A 107 8.172 5.047 5.404 1.00 0.00 N ATOM 1569 CA ARG A 107 7.475 5.855 4.405 1.00 0.00 C ATOM 1570 C ARG A 107 8.042 7.269 4.363 1.00 0.00 C ATOM 1571 O ARG A 107 8.578 7.765 5.353 1.00 0.00 O ATOM 1572 CB ARG A 107 5.980 5.948 4.718 1.00 0.00 C ATOM 1573 CG ARG A 107 5.230 4.634 4.574 1.00 0.00 C ATOM 1574 CD ARG A 107 3.847 4.785 3.922 1.00 0.00 C ATOM 1575 NE ARG A 107 3.428 6.174 3.737 1.00 0.00 N ATOM 1576 CZ ARG A 107 3.227 7.020 4.743 1.00 0.00 C ATOM 1577 NH1 ARG A 107 3.410 6.620 5.994 1.00 0.00 N ATOM 1578 NH2 ARG A 107 2.846 8.265 4.498 1.00 0.00 N ATOM 0 H ARG A 107 7.834 5.162 6.359 1.00 0.00 H new ATOM 0 HA ARG A 107 7.619 5.367 3.441 1.00 0.00 H new ATOM 0 HB2 ARG A 107 5.856 6.314 5.737 1.00 0.00 H new ATOM 0 HB3 ARG A 107 5.527 6.686 4.056 1.00 0.00 H new ATOM 0 HG2 ARG A 107 5.830 3.946 3.979 1.00 0.00 H new ATOM 0 HG3 ARG A 107 5.111 4.183 5.559 1.00 0.00 H new ATOM 0 HD2 ARG A 107 3.857 4.286 2.953 1.00 0.00 H new ATOM 0 HD3 ARG A 107 3.108 4.272 4.537 1.00 0.00 H new ATOM 0 HE ARG A 107 3.282 6.512 2.786 1.00 0.00 H new ATOM 0 HH11 ARG A 107 3.705 5.663 6.185 1.00 0.00 H new ATOM 0 HH12 ARG A 107 3.256 7.270 6.765 1.00 0.00 H new ATOM 0 HH21 ARG A 107 2.706 8.576 3.537 1.00 0.00 H new ATOM 0 HH22 ARG A 107 2.692 8.913 5.271 1.00 0.00 H new ATOM 1592 N GLY A 108 7.873 7.927 3.225 1.00 0.00 N ATOM 1593 CA GLY A 108 8.356 9.290 3.075 1.00 0.00 C ATOM 1594 C GLY A 108 7.423 10.182 2.263 1.00 0.00 C ATOM 1595 O GLY A 108 7.741 11.348 2.030 1.00 0.00 O ATOM 0 H GLY A 108 7.410 7.544 2.401 1.00 0.00 H new ATOM 0 HA2 GLY A 108 8.495 9.728 4.063 1.00 0.00 H new ATOM 0 HA3 GLY A 108 9.334 9.269 2.595 1.00 0.00 H new ATOM 1599 N VAL A 109 6.281 9.626 1.829 1.00 0.00 N ATOM 1600 CA VAL A 109 5.278 10.350 1.034 1.00 0.00 C ATOM 1601 C VAL A 109 5.857 11.514 0.220 1.00 0.00 C ATOM 1602 O VAL A 109 5.442 12.662 0.382 1.00 0.00 O ATOM 1603 CB VAL A 109 4.143 10.880 1.929 1.00 0.00 C ATOM 1604 CG1 VAL A 109 4.642 11.996 2.835 1.00 0.00 C ATOM 1605 CG2 VAL A 109 2.979 11.349 1.074 1.00 0.00 C ATOM 0 H VAL A 109 6.027 8.657 2.021 1.00 0.00 H new ATOM 0 HA VAL A 109 4.892 9.618 0.325 1.00 0.00 H new ATOM 0 HB VAL A 109 3.796 10.068 2.568 1.00 0.00 H new ATOM 0 HG11 VAL A 109 3.822 12.354 3.457 1.00 0.00 H new ATOM 0 HG12 VAL A 109 5.442 11.618 3.471 1.00 0.00 H new ATOM 0 HG13 VAL A 109 5.020 12.817 2.226 1.00 0.00 H new ATOM 0 HG21 VAL A 109 2.182 11.722 1.717 1.00 0.00 H new ATOM 0 HG22 VAL A 109 3.313 12.147 0.411 1.00 0.00 H new ATOM 0 HG23 VAL A 109 2.605 10.515 0.479 1.00 0.00 H new ATOM 1615 N PRO A 110 6.803 11.230 -0.691 1.00 0.00 N ATOM 1616 CA PRO A 110 7.423 12.237 -1.535 1.00 0.00 C ATOM 1617 C PRO A 110 6.739 12.349 -2.896 1.00 0.00 C ATOM 1618 O PRO A 110 6.090 11.407 -3.348 1.00 0.00 O ATOM 1619 CB PRO A 110 8.842 11.697 -1.693 1.00 0.00 C ATOM 1620 CG PRO A 110 8.713 10.205 -1.584 1.00 0.00 C ATOM 1621 CD PRO A 110 7.362 9.904 -0.968 1.00 0.00 C ATOM 0 HA PRO A 110 7.366 13.239 -1.109 1.00 0.00 H new ATOM 0 HB2 PRO A 110 9.268 11.986 -2.654 1.00 0.00 H new ATOM 0 HB3 PRO A 110 9.501 12.092 -0.920 1.00 0.00 H new ATOM 0 HG2 PRO A 110 8.797 9.741 -2.567 1.00 0.00 H new ATOM 0 HG3 PRO A 110 9.514 9.796 -0.968 1.00 0.00 H new ATOM 0 HD2 PRO A 110 6.728 9.337 -1.650 1.00 0.00 H new ATOM 0 HD3 PRO A 110 7.460 9.313 -0.058 1.00 0.00 H new ATOM 1629 N PRO A 111 6.885 13.500 -3.575 1.00 0.00 N ATOM 1630 CA PRO A 111 6.279 13.718 -4.891 1.00 0.00 C ATOM 1631 C PRO A 111 6.905 12.840 -5.965 1.00 0.00 C ATOM 1632 O PRO A 111 6.266 11.930 -6.494 1.00 0.00 O ATOM 1633 CB PRO A 111 6.549 15.202 -5.188 1.00 0.00 C ATOM 1634 CG PRO A 111 7.011 15.795 -3.898 1.00 0.00 C ATOM 1635 CD PRO A 111 7.640 14.676 -3.121 1.00 0.00 C ATOM 0 HA PRO A 111 5.219 13.464 -4.890 1.00 0.00 H new ATOM 0 HB2 PRO A 111 7.306 15.314 -5.964 1.00 0.00 H new ATOM 0 HB3 PRO A 111 5.648 15.700 -5.547 1.00 0.00 H new ATOM 0 HG2 PRO A 111 7.728 16.597 -4.074 1.00 0.00 H new ATOM 0 HG3 PRO A 111 6.176 16.229 -3.348 1.00 0.00 H new ATOM 0 HD2 PRO A 111 8.704 14.582 -3.337 1.00 0.00 H new ATOM 0 HD3 PRO A 111 7.545 14.827 -2.046 1.00 0.00 H new ATOM 1643 N ALA A 112 8.159 13.120 -6.275 1.00 0.00 N ATOM 1644 CA ALA A 112 8.881 12.386 -7.292 1.00 0.00 C ATOM 1645 C ALA A 112 8.837 10.880 -7.046 1.00 0.00 C ATOM 1646 O ALA A 112 9.682 10.335 -6.335 1.00 0.00 O ATOM 1647 CB ALA A 112 10.314 12.875 -7.341 1.00 0.00 C ATOM 0 H ALA A 112 8.701 13.860 -5.829 1.00 0.00 H new ATOM 0 HA ALA A 112 8.398 12.567 -8.252 1.00 0.00 H new ATOM 0 HB1 ALA A 112 10.861 12.324 -8.106 1.00 0.00 H new ATOM 0 HB2 ALA A 112 10.328 13.938 -7.580 1.00 0.00 H new ATOM 0 HB3 ALA A 112 10.786 12.715 -6.372 1.00 0.00 H new ATOM 1653 N VAL A 113 7.859 10.213 -7.651 1.00 0.00 N ATOM 1654 CA VAL A 113 7.725 8.763 -7.517 1.00 0.00 C ATOM 1655 C VAL A 113 6.918 8.158 -8.664 1.00 0.00 C ATOM 1656 O VAL A 113 7.211 7.052 -9.114 1.00 0.00 O ATOM 1657 CB VAL A 113 7.063 8.361 -6.187 1.00 0.00 C ATOM 1658 CG1 VAL A 113 7.016 6.844 -6.069 1.00 0.00 C ATOM 1659 CG2 VAL A 113 7.803 8.976 -5.008 1.00 0.00 C ATOM 0 H VAL A 113 7.148 10.650 -8.238 1.00 0.00 H new ATOM 0 HA VAL A 113 8.742 8.371 -7.542 1.00 0.00 H new ATOM 0 HB VAL A 113 6.042 8.743 -6.173 1.00 0.00 H new ATOM 0 HG11 VAL A 113 6.546 6.567 -5.125 1.00 0.00 H new ATOM 0 HG12 VAL A 113 6.438 6.432 -6.897 1.00 0.00 H new ATOM 0 HG13 VAL A 113 8.030 6.445 -6.101 1.00 0.00 H new ATOM 0 HG21 VAL A 113 7.318 8.678 -4.079 1.00 0.00 H new ATOM 0 HG22 VAL A 113 8.836 8.628 -5.005 1.00 0.00 H new ATOM 0 HG23 VAL A 113 7.786 10.062 -5.094 1.00 0.00 H new ATOM 1669 N ASN A 114 5.875 8.861 -9.103 1.00 0.00 N ATOM 1670 CA ASN A 114 5.031 8.374 -10.190 1.00 0.00 C ATOM 1671 C ASN A 114 5.813 8.323 -11.498 1.00 0.00 C ATOM 1672 O ASN A 114 5.540 9.080 -12.429 1.00 0.00 O ATOM 1673 CB ASN A 114 3.804 9.273 -10.352 1.00 0.00 C ATOM 1674 CG ASN A 114 2.937 8.863 -11.528 1.00 0.00 C ATOM 1675 OD1 ASN A 114 3.019 9.450 -12.608 1.00 0.00 O ATOM 1676 ND2 ASN A 114 2.100 7.853 -11.324 1.00 0.00 N ATOM 0 H ASN A 114 5.596 9.766 -8.724 1.00 0.00 H new ATOM 0 HA ASN A 114 4.703 7.365 -9.941 1.00 0.00 H new ATOM 0 HB2 ASN A 114 3.211 9.241 -9.438 1.00 0.00 H new ATOM 0 HB3 ASN A 114 4.128 10.305 -10.486 1.00 0.00 H new ATOM 0 HD21 ASN A 114 1.492 7.534 -12.078 1.00 0.00 H new ATOM 0 HD22 ASN A 114 2.065 7.395 -10.413 1.00 0.00 H new ATOM 1683 N ARG A 115 6.789 7.424 -11.558 1.00 0.00 N ATOM 1684 CA ARG A 115 7.625 7.274 -12.741 1.00 0.00 C ATOM 1685 C ARG A 115 7.929 5.806 -13.015 1.00 0.00 C ATOM 1686 O ARG A 115 8.518 5.118 -12.181 1.00 0.00 O ATOM 1687 CB ARG A 115 8.932 8.053 -12.573 1.00 0.00 C ATOM 1688 CG ARG A 115 9.482 8.017 -11.156 1.00 0.00 C ATOM 1689 CD ARG A 115 9.635 9.418 -10.585 1.00 0.00 C ATOM 1690 NE ARG A 115 10.329 10.312 -11.506 1.00 0.00 N ATOM 1691 CZ ARG A 115 11.642 10.284 -11.710 1.00 0.00 C ATOM 1692 NH1 ARG A 115 12.397 9.410 -11.058 1.00 0.00 N ATOM 1693 NH2 ARG A 115 12.202 11.129 -12.564 1.00 0.00 N ATOM 0 H ARG A 115 7.021 6.786 -10.797 1.00 0.00 H new ATOM 0 HA ARG A 115 7.076 7.677 -13.592 1.00 0.00 H new ATOM 0 HB2 ARG A 115 9.679 7.645 -13.254 1.00 0.00 H new ATOM 0 HB3 ARG A 115 8.767 9.090 -12.864 1.00 0.00 H new ATOM 0 HG2 ARG A 115 8.816 7.434 -10.520 1.00 0.00 H new ATOM 0 HG3 ARG A 115 10.449 7.513 -11.152 1.00 0.00 H new ATOM 0 HD2 ARG A 115 8.650 9.826 -10.357 1.00 0.00 H new ATOM 0 HD3 ARG A 115 10.185 9.368 -9.645 1.00 0.00 H new ATOM 0 HE ARG A 115 9.776 10.996 -12.022 1.00 0.00 H new ATOM 0 HH11 ARG A 115 11.970 8.759 -10.399 1.00 0.00 H new ATOM 0 HH12 ARG A 115 13.405 9.389 -11.215 1.00 0.00 H new ATOM 0 HH21 ARG A 115 11.625 11.803 -13.067 1.00 0.00 H new ATOM 0 HH22 ARG A 115 13.210 11.105 -12.718 1.00 0.00 H new ATOM 1707 N ARG A 116 7.528 5.331 -14.189 1.00 0.00 N ATOM 1708 CA ARG A 116 7.762 3.944 -14.572 1.00 0.00 C ATOM 1709 C ARG A 116 8.924 3.840 -15.553 1.00 0.00 C ATOM 1710 O ARG A 116 9.538 4.845 -15.912 1.00 0.00 O ATOM 1711 CB ARG A 116 6.499 3.343 -15.190 1.00 0.00 C ATOM 1712 CG ARG A 116 5.449 2.948 -14.165 1.00 0.00 C ATOM 1713 CD ARG A 116 5.179 1.453 -14.192 1.00 0.00 C ATOM 1714 NE ARG A 116 4.419 1.054 -15.373 1.00 0.00 N ATOM 1715 CZ ARG A 116 3.121 1.292 -15.528 1.00 0.00 C ATOM 1716 NH1 ARG A 116 2.443 1.925 -14.579 1.00 0.00 N ATOM 1717 NH2 ARG A 116 2.499 0.898 -16.631 1.00 0.00 N ATOM 0 H ARG A 116 7.039 5.886 -14.892 1.00 0.00 H new ATOM 0 HA ARG A 116 8.019 3.383 -13.673 1.00 0.00 H new ATOM 0 HB2 ARG A 116 6.065 4.064 -15.883 1.00 0.00 H new ATOM 0 HB3 ARG A 116 6.773 2.465 -15.774 1.00 0.00 H new ATOM 0 HG2 ARG A 116 5.783 3.241 -13.169 1.00 0.00 H new ATOM 0 HG3 ARG A 116 4.524 3.489 -14.363 1.00 0.00 H new ATOM 0 HD2 ARG A 116 6.126 0.914 -14.171 1.00 0.00 H new ATOM 0 HD3 ARG A 116 4.630 1.168 -13.295 1.00 0.00 H new ATOM 0 HE ARG A 116 4.912 0.565 -16.121 1.00 0.00 H new ATOM 0 HH11 ARG A 116 2.918 2.229 -13.729 1.00 0.00 H new ATOM 0 HH12 ARG A 116 1.447 2.107 -14.699 1.00 0.00 H new ATOM 0 HH21 ARG A 116 3.017 0.411 -17.362 1.00 0.00 H new ATOM 0 HH22 ARG A 116 1.503 1.082 -16.748 1.00 0.00 H new ATOM 1731 N ARG A 117 9.222 2.619 -15.983 1.00 0.00 N ATOM 1732 CA ARG A 117 10.312 2.385 -16.921 1.00 0.00 C ATOM 1733 C ARG A 117 10.503 0.894 -17.174 1.00 0.00 C ATOM 1734 O ARG A 117 10.324 0.464 -18.333 1.00 0.00 O ATOM 1735 CB ARG A 117 11.610 2.992 -16.384 1.00 0.00 C ATOM 1736 CG ARG A 117 11.908 2.610 -14.943 1.00 0.00 C ATOM 1737 CD ARG A 117 11.932 3.829 -14.036 1.00 0.00 C ATOM 1738 NE ARG A 117 12.888 3.679 -12.944 1.00 0.00 N ATOM 1739 CZ ARG A 117 13.376 4.699 -12.246 1.00 0.00 C ATOM 1740 NH1 ARG A 117 12.998 5.938 -12.528 1.00 0.00 N ATOM 1741 NH2 ARG A 117 14.243 4.482 -11.267 1.00 0.00 N ATOM 1742 OXT ARG A 117 10.826 0.167 -16.211 1.00 0.00 O ATOM 0 H ARG A 117 8.724 1.776 -15.697 1.00 0.00 H new ATOM 0 HA ARG A 117 10.055 2.865 -17.865 1.00 0.00 H new ATOM 0 HB2 ARG A 117 12.439 2.673 -17.015 1.00 0.00 H new ATOM 0 HB3 ARG A 117 11.552 4.078 -16.459 1.00 0.00 H new ATOM 0 HG2 ARG A 117 11.154 1.907 -14.589 1.00 0.00 H new ATOM 0 HG3 ARG A 117 12.869 2.099 -14.893 1.00 0.00 H new ATOM 0 HD2 ARG A 117 12.187 4.712 -14.622 1.00 0.00 H new ATOM 0 HD3 ARG A 117 10.936 3.995 -13.626 1.00 0.00 H new ATOM 0 HE ARG A 117 13.199 2.738 -12.703 1.00 0.00 H new ATOM 0 HH11 ARG A 117 12.332 6.109 -13.281 1.00 0.00 H new ATOM 0 HH12 ARG A 117 13.373 6.720 -11.992 1.00 0.00 H new ATOM 0 HH21 ARG A 117 14.537 3.530 -11.048 1.00 0.00 H new ATOM 0 HH22 ARG A 117 14.616 5.267 -10.733 1.00 0.00 H new TER 1756 ARG A 117