USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 706 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 62 SER OG : rot 130:sc= 0.657 USER MOD Set 1.2: A 71 SER OG : rot 126:sc= 0.534 USER MOD Set 2.1: A 43 ASN : amide:sc= -3.91! C(o=-6.4!,f=-6.2!) USER MOD Set 2.2: A 58 THR OG1 : rot 120:sc= -2.48! USER MOD Set 3.1: A 7 THR OG1 : rot -160:sc= 0 USER MOD Set 3.2: A 93 ASN : amide:sc= -1.26! C(o=-1.3!,f=-7.9!) USER MOD Single : A 10 ASN : amide:sc= -7.57! C(o=-7.6!,f=-18!) USER MOD Single : A 11 THR OG1 : rot 38:sc= -0.78 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -160:sc= -0.968 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN : amide:sc=-0.00958 X(o=-0.0096,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 70:sc= -0.916 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -3.16! C(o=-3.2!,f=-11!) USER MOD Single : A 40 HIS : no HD1:sc= -4.57 X(o=-4.6,f=-4.4!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -1.94 K(o=-1.9,f=-2.7!) USER MOD Single : A 53 SER OG : rot 180:sc= -2.49 USER MOD Single : A 54 ASN : amide:sc= -3.05 K(o=-3.1,f=-3.6!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.0192 K(o=-0.019,f=-0.92) USER MOD Single : A 60 TYR OH : rot -162:sc= 1.61 USER MOD Single : A 61 ASN : amide:sc= -0.339 K(o=-0.34,f=-1.6) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 85:sc= 0.28 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 150:sc= 0.477 USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.319 K(o=-0.32,f=-3.5!) USER MOD Single : A 82 THR OG1 : rot 43:sc= 0.997 USER MOD Single : A 83 SER OG : rot -120:sc= 0.254 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 ASN :FLIP amide:sc= -4.89! C(o=-6.8!,f=-4.9!) USER MOD Single : A 89 SER OG : rot 180:sc= 0.0654 USER MOD Single : A 97 SER OG : rot 81:sc=0.000425 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot -151:sc= 1.4 USER MOD ----------------------------------------------------------------- ATOM 58 N PHE A 4 11.180 -4.876 -5.165 1.00 0.00 N ATOM 59 CA PHE A 4 11.962 -5.936 -5.804 1.00 0.00 C ATOM 60 C PHE A 4 13.424 -5.881 -5.367 1.00 0.00 C ATOM 61 O PHE A 4 14.055 -6.914 -5.154 1.00 0.00 O ATOM 62 CB PHE A 4 11.862 -5.833 -7.330 1.00 0.00 C ATOM 63 CG PHE A 4 12.652 -4.701 -7.925 1.00 0.00 C ATOM 64 CD1 PHE A 4 12.111 -3.430 -8.006 1.00 0.00 C ATOM 65 CD2 PHE A 4 13.936 -4.911 -8.402 1.00 0.00 C ATOM 66 CE1 PHE A 4 12.834 -2.387 -8.552 1.00 0.00 C ATOM 67 CE2 PHE A 4 14.665 -3.872 -8.949 1.00 0.00 C ATOM 68 CZ PHE A 4 14.113 -2.608 -9.024 1.00 0.00 C ATOM 0 HA PHE A 4 11.548 -6.893 -5.488 1.00 0.00 H new ATOM 0 HB2 PHE A 4 12.204 -6.770 -7.769 1.00 0.00 H new ATOM 0 HB3 PHE A 4 10.814 -5.715 -7.607 1.00 0.00 H new ATOM 0 HD1 PHE A 4 11.112 -3.251 -7.638 1.00 0.00 H new ATOM 0 HD2 PHE A 4 14.372 -5.898 -8.346 1.00 0.00 H new ATOM 0 HE1 PHE A 4 12.400 -1.400 -8.610 1.00 0.00 H new ATOM 0 HE2 PHE A 4 15.665 -4.048 -9.317 1.00 0.00 H new ATOM 0 HZ PHE A 4 14.680 -1.794 -9.451 1.00 0.00 H new ATOM 78 N ILE A 5 13.960 -4.672 -5.233 1.00 0.00 N ATOM 79 CA ILE A 5 15.350 -4.504 -4.824 1.00 0.00 C ATOM 80 C ILE A 5 15.577 -5.037 -3.414 1.00 0.00 C ATOM 81 O ILE A 5 16.711 -5.296 -3.015 1.00 0.00 O ATOM 82 CB ILE A 5 15.785 -3.024 -4.885 1.00 0.00 C ATOM 83 CG1 ILE A 5 17.310 -2.916 -4.819 1.00 0.00 C ATOM 84 CG2 ILE A 5 15.143 -2.218 -3.761 1.00 0.00 C ATOM 85 CD1 ILE A 5 17.998 -3.265 -6.120 1.00 0.00 C ATOM 0 H ILE A 5 13.457 -3.800 -5.400 1.00 0.00 H new ATOM 0 HA ILE A 5 15.956 -5.077 -5.526 1.00 0.00 H new ATOM 0 HB ILE A 5 15.445 -2.608 -5.833 1.00 0.00 H new ATOM 0 HG12 ILE A 5 17.582 -1.899 -4.535 1.00 0.00 H new ATOM 0 HG13 ILE A 5 17.679 -3.576 -4.034 1.00 0.00 H new ATOM 0 HG21 ILE A 5 15.466 -1.179 -3.828 1.00 0.00 H new ATOM 0 HG22 ILE A 5 14.058 -2.267 -3.852 1.00 0.00 H new ATOM 0 HG23 ILE A 5 15.445 -2.631 -2.799 1.00 0.00 H new ATOM 0 HD11 ILE A 5 19.077 -3.166 -5.999 1.00 0.00 H new ATOM 0 HD12 ILE A 5 17.756 -4.291 -6.396 1.00 0.00 H new ATOM 0 HD13 ILE A 5 17.658 -2.589 -6.904 1.00 0.00 H new ATOM 97 N GLU A 6 14.492 -5.213 -2.666 1.00 0.00 N ATOM 98 CA GLU A 6 14.584 -5.730 -1.306 1.00 0.00 C ATOM 99 C GLU A 6 14.823 -7.239 -1.310 1.00 0.00 C ATOM 100 O GLU A 6 15.408 -7.786 -0.375 1.00 0.00 O ATOM 101 CB GLU A 6 13.307 -5.405 -0.525 1.00 0.00 C ATOM 102 CG GLU A 6 13.570 -4.877 0.877 1.00 0.00 C ATOM 103 CD GLU A 6 13.919 -5.978 1.860 1.00 0.00 C ATOM 104 OE1 GLU A 6 12.989 -6.534 2.482 1.00 0.00 O ATOM 105 OE2 GLU A 6 15.121 -6.283 2.010 1.00 0.00 O ATOM 0 H GLU A 6 13.543 -5.006 -2.977 1.00 0.00 H new ATOM 0 HA GLU A 6 15.432 -5.248 -0.819 1.00 0.00 H new ATOM 0 HB2 GLU A 6 12.729 -4.666 -1.080 1.00 0.00 H new ATOM 0 HB3 GLU A 6 12.694 -6.304 -0.457 1.00 0.00 H new ATOM 0 HG2 GLU A 6 14.386 -4.155 0.842 1.00 0.00 H new ATOM 0 HG3 GLU A 6 12.688 -4.345 1.232 1.00 0.00 H new ATOM 112 N THR A 7 14.382 -7.905 -2.376 1.00 0.00 N ATOM 113 CA THR A 7 14.564 -9.346 -2.507 1.00 0.00 C ATOM 114 C THR A 7 15.411 -9.687 -3.735 1.00 0.00 C ATOM 115 O THR A 7 15.392 -10.819 -4.219 1.00 0.00 O ATOM 116 CB THR A 7 13.209 -10.050 -2.586 1.00 0.00 C ATOM 117 OG1 THR A 7 12.449 -9.559 -3.675 1.00 0.00 O ATOM 118 CG2 THR A 7 12.377 -9.884 -1.333 1.00 0.00 C ATOM 0 H THR A 7 13.897 -7.468 -3.160 1.00 0.00 H new ATOM 0 HA THR A 7 15.094 -9.699 -1.622 1.00 0.00 H new ATOM 0 HB THR A 7 13.440 -11.108 -2.714 1.00 0.00 H new ATOM 0 HG1 THR A 7 11.502 -9.768 -3.534 1.00 0.00 H new ATOM 0 HG21 THR A 7 11.428 -10.407 -1.454 1.00 0.00 H new ATOM 0 HG22 THR A 7 12.915 -10.300 -0.481 1.00 0.00 H new ATOM 0 HG23 THR A 7 12.188 -8.825 -1.160 1.00 0.00 H new ATOM 126 N CYS A 8 16.146 -8.702 -4.244 1.00 0.00 N ATOM 127 CA CYS A 8 16.982 -8.909 -5.418 1.00 0.00 C ATOM 128 C CYS A 8 18.368 -8.306 -5.217 1.00 0.00 C ATOM 129 O CYS A 8 18.547 -7.379 -4.427 1.00 0.00 O ATOM 130 CB CYS A 8 16.318 -8.301 -6.658 1.00 0.00 C ATOM 131 SG CYS A 8 14.658 -8.969 -7.014 1.00 0.00 S ATOM 0 H CYS A 8 16.178 -7.757 -3.862 1.00 0.00 H new ATOM 0 HA CYS A 8 17.095 -9.983 -5.566 1.00 0.00 H new ATOM 0 HB2 CYS A 8 16.243 -7.222 -6.525 1.00 0.00 H new ATOM 0 HB3 CYS A 8 16.960 -8.472 -7.522 1.00 0.00 H new ATOM 136 N ARG A 9 19.345 -8.843 -5.935 1.00 0.00 N ATOM 137 CA ARG A 9 20.718 -8.367 -5.834 1.00 0.00 C ATOM 138 C ARG A 9 21.342 -8.187 -7.214 1.00 0.00 C ATOM 139 O ARG A 9 20.747 -8.556 -8.227 1.00 0.00 O ATOM 140 CB ARG A 9 21.556 -9.343 -5.008 1.00 0.00 C ATOM 141 CG ARG A 9 21.499 -10.772 -5.519 1.00 0.00 C ATOM 142 CD ARG A 9 21.909 -11.766 -4.445 1.00 0.00 C ATOM 143 NE ARG A 9 23.225 -12.341 -4.708 1.00 0.00 N ATOM 144 CZ ARG A 9 23.745 -13.349 -4.013 1.00 0.00 C ATOM 145 NH1 ARG A 9 23.067 -13.891 -3.009 1.00 0.00 N ATOM 146 NH2 ARG A 9 24.946 -13.817 -4.323 1.00 0.00 N ATOM 0 H ARG A 9 19.212 -9.610 -6.595 1.00 0.00 H new ATOM 0 HA ARG A 9 20.701 -7.397 -5.337 1.00 0.00 H new ATOM 0 HB2 ARG A 9 22.593 -9.007 -5.005 1.00 0.00 H new ATOM 0 HB3 ARG A 9 21.211 -9.321 -3.974 1.00 0.00 H new ATOM 0 HG2 ARG A 9 20.488 -10.998 -5.858 1.00 0.00 H new ATOM 0 HG3 ARG A 9 22.156 -10.877 -6.383 1.00 0.00 H new ATOM 0 HD2 ARG A 9 21.917 -11.269 -3.475 1.00 0.00 H new ATOM 0 HD3 ARG A 9 21.169 -12.564 -4.388 1.00 0.00 H new ATOM 0 HE ARG A 9 23.778 -11.947 -5.469 1.00 0.00 H new ATOM 0 HH11 ARG A 9 22.142 -13.535 -2.767 1.00 0.00 H new ATOM 0 HH12 ARG A 9 23.471 -14.664 -2.479 1.00 0.00 H new ATOM 0 HH21 ARG A 9 25.471 -13.404 -5.094 1.00 0.00 H new ATOM 0 HH22 ARG A 9 25.345 -14.590 -3.790 1.00 0.00 H new ATOM 160 N ASN A 10 22.545 -7.614 -7.241 1.00 0.00 N ATOM 161 CA ASN A 10 23.278 -7.375 -8.484 1.00 0.00 C ATOM 162 C ASN A 10 22.414 -6.697 -9.545 1.00 0.00 C ATOM 163 O ASN A 10 22.260 -7.205 -10.657 1.00 0.00 O ATOM 164 CB ASN A 10 23.874 -8.684 -9.023 1.00 0.00 C ATOM 165 CG ASN A 10 22.828 -9.665 -9.517 1.00 0.00 C ATOM 166 OD1 ASN A 10 22.199 -10.368 -8.727 1.00 0.00 O ATOM 167 ND2 ASN A 10 22.650 -9.728 -10.830 1.00 0.00 N ATOM 0 H ASN A 10 23.038 -7.303 -6.404 1.00 0.00 H new ATOM 0 HA ASN A 10 24.092 -6.689 -8.249 1.00 0.00 H new ATOM 0 HB2 ASN A 10 24.559 -8.454 -9.839 1.00 0.00 H new ATOM 0 HB3 ASN A 10 24.462 -9.157 -8.237 1.00 0.00 H new ATOM 0 HD21 ASN A 10 21.969 -10.379 -11.222 1.00 0.00 H new ATOM 0 HD22 ASN A 10 23.194 -9.126 -11.448 1.00 0.00 H new ATOM 174 N THR A 11 21.872 -5.532 -9.201 1.00 0.00 N ATOM 175 CA THR A 11 21.054 -4.768 -10.132 1.00 0.00 C ATOM 176 C THR A 11 21.950 -4.006 -11.106 1.00 0.00 C ATOM 177 O THR A 11 22.934 -3.386 -10.704 1.00 0.00 O ATOM 178 CB THR A 11 20.132 -3.805 -9.383 1.00 0.00 C ATOM 179 OG1 THR A 11 20.814 -3.193 -8.302 1.00 0.00 O ATOM 180 CG2 THR A 11 18.896 -4.478 -8.825 1.00 0.00 C ATOM 0 H THR A 11 21.986 -5.099 -8.285 1.00 0.00 H new ATOM 0 HA THR A 11 20.428 -5.460 -10.695 1.00 0.00 H new ATOM 0 HB THR A 11 19.824 -3.065 -10.122 1.00 0.00 H new ATOM 0 HG1 THR A 11 21.737 -2.995 -8.567 1.00 0.00 H new ATOM 0 HG21 THR A 11 18.284 -3.741 -8.305 1.00 0.00 H new ATOM 0 HG22 THR A 11 18.321 -4.917 -9.640 1.00 0.00 H new ATOM 0 HG23 THR A 11 19.192 -5.261 -8.127 1.00 0.00 H new ATOM 188 N GLN A 12 21.610 -4.066 -12.386 1.00 0.00 N ATOM 189 CA GLN A 12 22.396 -3.392 -13.418 1.00 0.00 C ATOM 190 C GLN A 12 21.571 -3.149 -14.674 1.00 0.00 C ATOM 191 O GLN A 12 20.518 -3.757 -14.862 1.00 0.00 O ATOM 192 CB GLN A 12 23.651 -4.199 -13.752 1.00 0.00 C ATOM 193 CG GLN A 12 23.364 -5.635 -14.152 1.00 0.00 C ATOM 194 CD GLN A 12 24.372 -6.169 -15.149 1.00 0.00 C ATOM 195 OE1 GLN A 12 24.221 -5.992 -16.358 1.00 0.00 O ATOM 196 NE2 GLN A 12 25.410 -6.826 -14.645 1.00 0.00 N ATOM 0 H GLN A 12 20.797 -4.573 -12.737 1.00 0.00 H new ATOM 0 HA GLN A 12 22.699 -2.422 -13.023 1.00 0.00 H new ATOM 0 HB2 GLN A 12 24.185 -3.705 -14.564 1.00 0.00 H new ATOM 0 HB3 GLN A 12 24.314 -4.198 -12.887 1.00 0.00 H new ATOM 0 HG2 GLN A 12 23.368 -6.265 -13.262 1.00 0.00 H new ATOM 0 HG3 GLN A 12 22.364 -5.697 -14.582 1.00 0.00 H new ATOM 0 HE21 GLN A 12 25.495 -6.949 -13.636 1.00 0.00 H new ATOM 0 HE22 GLN A 12 26.123 -7.208 -15.267 1.00 0.00 H new ATOM 205 N LEU A 13 22.060 -2.262 -15.536 1.00 0.00 N ATOM 206 CA LEU A 13 21.362 -1.948 -16.776 1.00 0.00 C ATOM 207 C LEU A 13 21.940 -2.742 -17.934 1.00 0.00 C ATOM 208 O LEU A 13 23.157 -2.844 -18.092 1.00 0.00 O ATOM 209 CB LEU A 13 21.464 -0.459 -17.104 1.00 0.00 C ATOM 210 CG LEU A 13 20.746 -0.042 -18.393 1.00 0.00 C ATOM 211 CD1 LEU A 13 19.569 0.861 -18.079 1.00 0.00 C ATOM 212 CD2 LEU A 13 21.701 0.647 -19.360 1.00 0.00 C ATOM 0 H LEU A 13 22.932 -1.751 -15.399 1.00 0.00 H new ATOM 0 HA LEU A 13 20.315 -2.215 -16.633 1.00 0.00 H new ATOM 0 HB2 LEU A 13 21.052 0.113 -16.272 1.00 0.00 H new ATOM 0 HB3 LEU A 13 22.517 -0.189 -17.186 1.00 0.00 H new ATOM 0 HG LEU A 13 20.374 -0.946 -18.875 1.00 0.00 H new ATOM 0 HD11 LEU A 13 19.072 1.147 -19.006 1.00 0.00 H new ATOM 0 HD12 LEU A 13 18.865 0.331 -17.438 1.00 0.00 H new ATOM 0 HD13 LEU A 13 19.923 1.756 -17.567 1.00 0.00 H new ATOM 0 HD21 LEU A 13 21.162 0.930 -20.264 1.00 0.00 H new ATOM 0 HD22 LEU A 13 22.114 1.539 -18.889 1.00 0.00 H new ATOM 0 HD23 LEU A 13 22.511 -0.035 -19.619 1.00 0.00 H new ATOM 224 N ALA A 14 21.052 -3.286 -18.751 1.00 0.00 N ATOM 225 CA ALA A 14 21.439 -4.060 -19.916 1.00 0.00 C ATOM 226 C ALA A 14 20.872 -3.399 -21.163 1.00 0.00 C ATOM 227 O ALA A 14 19.793 -2.807 -21.117 1.00 0.00 O ATOM 228 CB ALA A 14 20.935 -5.491 -19.786 1.00 0.00 C ATOM 0 H ALA A 14 20.043 -3.202 -18.624 1.00 0.00 H new ATOM 0 HA ALA A 14 22.526 -4.092 -19.992 1.00 0.00 H new ATOM 0 HB1 ALA A 14 21.231 -6.062 -20.666 1.00 0.00 H new ATOM 0 HB2 ALA A 14 21.364 -5.948 -18.895 1.00 0.00 H new ATOM 0 HB3 ALA A 14 19.848 -5.488 -19.704 1.00 0.00 H new ATOM 234 N GLY A 15 21.595 -3.475 -22.271 1.00 0.00 N ATOM 235 CA GLY A 15 21.118 -2.846 -23.488 1.00 0.00 C ATOM 236 C GLY A 15 20.886 -1.359 -23.289 1.00 0.00 C ATOM 237 O GLY A 15 21.541 -0.736 -22.454 1.00 0.00 O ATOM 0 H GLY A 15 22.492 -3.954 -22.351 1.00 0.00 H new ATOM 0 HA2 GLY A 15 21.844 -2.999 -24.287 1.00 0.00 H new ATOM 0 HA3 GLY A 15 20.190 -3.321 -23.805 1.00 0.00 H new ATOM 241 N SER A 16 19.983 -0.777 -24.070 1.00 0.00 N ATOM 242 CA SER A 16 19.720 0.655 -23.973 1.00 0.00 C ATOM 243 C SER A 16 18.689 0.994 -22.900 1.00 0.00 C ATOM 244 O SER A 16 18.809 2.023 -22.235 1.00 0.00 O ATOM 245 CB SER A 16 19.216 1.183 -25.314 1.00 0.00 C ATOM 246 OG SER A 16 19.911 0.586 -26.395 1.00 0.00 O ATOM 0 H SER A 16 19.426 -1.267 -24.770 1.00 0.00 H new ATOM 0 HA SER A 16 20.663 1.127 -23.697 1.00 0.00 H new ATOM 0 HB2 SER A 16 18.149 0.982 -25.409 1.00 0.00 H new ATOM 0 HB3 SER A 16 19.341 2.265 -25.352 1.00 0.00 H new ATOM 0 HG SER A 16 19.567 0.941 -27.241 1.00 0.00 H new ATOM 252 N SER A 17 17.671 0.155 -22.731 1.00 0.00 N ATOM 253 CA SER A 17 16.644 0.433 -21.740 1.00 0.00 C ATOM 254 C SER A 17 16.182 -0.828 -21.012 1.00 0.00 C ATOM 255 O SER A 17 15.005 -0.959 -20.677 1.00 0.00 O ATOM 256 CB SER A 17 15.458 1.118 -22.419 1.00 0.00 C ATOM 257 OG SER A 17 15.195 0.548 -23.691 1.00 0.00 O ATOM 0 H SER A 17 17.538 -0.708 -23.259 1.00 0.00 H new ATOM 0 HA SER A 17 17.075 1.093 -20.987 1.00 0.00 H new ATOM 0 HB2 SER A 17 14.574 1.029 -21.788 1.00 0.00 H new ATOM 0 HB3 SER A 17 15.665 2.182 -22.530 1.00 0.00 H new ATOM 0 HG SER A 17 14.670 1.177 -24.229 1.00 0.00 H new ATOM 263 N GLU A 18 17.108 -1.747 -20.758 1.00 0.00 N ATOM 264 CA GLU A 18 16.781 -2.984 -20.051 1.00 0.00 C ATOM 265 C GLU A 18 17.502 -3.081 -18.715 1.00 0.00 C ATOM 266 O GLU A 18 18.636 -2.630 -18.570 1.00 0.00 O ATOM 267 CB GLU A 18 17.111 -4.219 -20.893 1.00 0.00 C ATOM 268 CG GLU A 18 16.045 -4.568 -21.912 1.00 0.00 C ATOM 269 CD GLU A 18 16.406 -4.131 -23.318 1.00 0.00 C ATOM 270 OE1 GLU A 18 17.105 -4.895 -24.015 1.00 0.00 O ATOM 271 OE2 GLU A 18 15.987 -3.026 -23.724 1.00 0.00 O ATOM 0 H GLU A 18 18.088 -1.661 -21.029 1.00 0.00 H new ATOM 0 HA GLU A 18 15.707 -2.955 -19.868 1.00 0.00 H new ATOM 0 HB2 GLU A 18 18.055 -4.052 -21.412 1.00 0.00 H new ATOM 0 HB3 GLU A 18 17.258 -5.071 -20.229 1.00 0.00 H new ATOM 0 HG2 GLU A 18 15.880 -5.645 -21.903 1.00 0.00 H new ATOM 0 HG3 GLU A 18 15.105 -4.099 -21.622 1.00 0.00 H new ATOM 278 N LEU A 19 16.833 -3.691 -17.747 1.00 0.00 N ATOM 279 CA LEU A 19 17.397 -3.885 -16.419 1.00 0.00 C ATOM 280 C LEU A 19 17.441 -5.375 -16.107 1.00 0.00 C ATOM 281 O LEU A 19 16.419 -6.059 -16.173 1.00 0.00 O ATOM 282 CB LEU A 19 16.561 -3.139 -15.371 1.00 0.00 C ATOM 283 CG LEU A 19 16.767 -3.583 -13.920 1.00 0.00 C ATOM 284 CD1 LEU A 19 18.207 -3.351 -13.487 1.00 0.00 C ATOM 285 CD2 LEU A 19 15.808 -2.848 -12.997 1.00 0.00 C ATOM 0 H LEU A 19 15.890 -4.063 -17.859 1.00 0.00 H new ATOM 0 HA LEU A 19 18.410 -3.483 -16.392 1.00 0.00 H new ATOM 0 HB2 LEU A 19 16.788 -2.075 -15.442 1.00 0.00 H new ATOM 0 HB3 LEU A 19 15.507 -3.258 -15.622 1.00 0.00 H new ATOM 0 HG LEU A 19 16.558 -4.651 -13.856 1.00 0.00 H new ATOM 0 HD11 LEU A 19 18.332 -3.673 -12.453 1.00 0.00 H new ATOM 0 HD12 LEU A 19 18.877 -3.923 -14.129 1.00 0.00 H new ATOM 0 HD13 LEU A 19 18.445 -2.290 -13.568 1.00 0.00 H new ATOM 0 HD21 LEU A 19 15.968 -3.176 -11.970 1.00 0.00 H new ATOM 0 HD22 LEU A 19 15.986 -1.775 -13.067 1.00 0.00 H new ATOM 0 HD23 LEU A 19 14.781 -3.066 -13.291 1.00 0.00 H new ATOM 297 N ALA A 20 18.613 -5.888 -15.760 1.00 0.00 N ATOM 298 CA ALA A 20 18.746 -7.298 -15.440 1.00 0.00 C ATOM 299 C ALA A 20 19.239 -7.464 -14.007 1.00 0.00 C ATOM 300 O ALA A 20 20.032 -6.661 -13.515 1.00 0.00 O ATOM 301 CB ALA A 20 19.677 -7.971 -16.437 1.00 0.00 C ATOM 0 H ALA A 20 19.478 -5.352 -15.694 1.00 0.00 H new ATOM 0 HA ALA A 20 17.772 -7.782 -15.514 1.00 0.00 H new ATOM 0 HB1 ALA A 20 19.772 -9.028 -16.190 1.00 0.00 H new ATOM 0 HB2 ALA A 20 19.269 -7.868 -17.443 1.00 0.00 H new ATOM 0 HB3 ALA A 20 20.659 -7.499 -16.394 1.00 0.00 H new ATOM 307 N ALA A 21 18.748 -8.493 -13.332 1.00 0.00 N ATOM 308 CA ALA A 21 19.120 -8.740 -11.945 1.00 0.00 C ATOM 309 C ALA A 21 18.817 -10.175 -11.536 1.00 0.00 C ATOM 310 O ALA A 21 18.158 -10.913 -12.268 1.00 0.00 O ATOM 311 CB ALA A 21 18.403 -7.760 -11.030 1.00 0.00 C ATOM 0 H ALA A 21 18.092 -9.170 -13.721 1.00 0.00 H new ATOM 0 HA ALA A 21 20.196 -8.591 -11.850 1.00 0.00 H new ATOM 0 HB1 ALA A 21 18.688 -7.953 -9.996 1.00 0.00 H new ATOM 0 HB2 ALA A 21 18.681 -6.741 -11.299 1.00 0.00 H new ATOM 0 HB3 ALA A 21 17.325 -7.883 -11.139 1.00 0.00 H new ATOM 317 N GLU A 22 19.256 -10.555 -10.342 1.00 0.00 N ATOM 318 CA GLU A 22 18.978 -11.882 -9.818 1.00 0.00 C ATOM 319 C GLU A 22 18.034 -11.743 -8.630 1.00 0.00 C ATOM 320 O GLU A 22 18.241 -10.888 -7.768 1.00 0.00 O ATOM 321 CB GLU A 22 20.268 -12.586 -9.389 1.00 0.00 C ATOM 322 CG GLU A 22 21.296 -12.716 -10.502 1.00 0.00 C ATOM 323 CD GLU A 22 21.714 -14.154 -10.744 1.00 0.00 C ATOM 324 OE1 GLU A 22 20.901 -15.063 -10.471 1.00 0.00 O ATOM 325 OE2 GLU A 22 22.853 -14.372 -11.207 1.00 0.00 O ATOM 0 H GLU A 22 19.805 -9.962 -9.720 1.00 0.00 H new ATOM 0 HA GLU A 22 18.516 -12.488 -10.597 1.00 0.00 H new ATOM 0 HB2 GLU A 22 20.712 -12.036 -8.559 1.00 0.00 H new ATOM 0 HB3 GLU A 22 20.022 -13.580 -9.017 1.00 0.00 H new ATOM 0 HG2 GLU A 22 20.884 -12.301 -11.422 1.00 0.00 H new ATOM 0 HG3 GLU A 22 22.175 -12.123 -10.251 1.00 0.00 H new ATOM 332 N CYS A 23 16.990 -12.559 -8.581 1.00 0.00 N ATOM 333 CA CYS A 23 16.033 -12.471 -7.489 1.00 0.00 C ATOM 334 C CYS A 23 15.749 -13.830 -6.868 1.00 0.00 C ATOM 335 O CYS A 23 15.515 -14.814 -7.569 1.00 0.00 O ATOM 336 CB CYS A 23 14.733 -11.841 -7.985 1.00 0.00 C ATOM 337 SG CYS A 23 14.934 -10.152 -8.640 1.00 0.00 S ATOM 0 H CYS A 23 16.786 -13.279 -9.274 1.00 0.00 H new ATOM 0 HA CYS A 23 16.474 -11.843 -6.715 1.00 0.00 H new ATOM 0 HB2 CYS A 23 14.308 -12.474 -8.764 1.00 0.00 H new ATOM 0 HB3 CYS A 23 14.015 -11.819 -7.165 1.00 0.00 H new ATOM 342 N LYS A 24 15.785 -13.872 -5.543 1.00 0.00 N ATOM 343 CA LYS A 24 15.539 -15.106 -4.813 1.00 0.00 C ATOM 344 C LYS A 24 14.094 -15.567 -4.984 1.00 0.00 C ATOM 345 O LYS A 24 13.158 -14.772 -4.901 1.00 0.00 O ATOM 346 CB LYS A 24 15.864 -14.925 -3.328 1.00 0.00 C ATOM 347 CG LYS A 24 15.005 -13.879 -2.638 1.00 0.00 C ATOM 348 CD LYS A 24 14.862 -14.170 -1.153 1.00 0.00 C ATOM 349 CE LYS A 24 15.825 -13.334 -0.325 1.00 0.00 C ATOM 350 NZ LYS A 24 15.489 -13.372 1.125 1.00 0.00 N ATOM 0 H LYS A 24 15.982 -13.064 -4.952 1.00 0.00 H new ATOM 0 HA LYS A 24 16.193 -15.875 -5.225 1.00 0.00 H new ATOM 0 HB2 LYS A 24 15.737 -15.880 -2.818 1.00 0.00 H new ATOM 0 HB3 LYS A 24 16.913 -14.646 -3.226 1.00 0.00 H new ATOM 0 HG2 LYS A 24 15.449 -12.893 -2.776 1.00 0.00 H new ATOM 0 HG3 LYS A 24 14.019 -13.852 -3.102 1.00 0.00 H new ATOM 0 HD2 LYS A 24 13.839 -13.966 -0.838 1.00 0.00 H new ATOM 0 HD3 LYS A 24 15.047 -15.228 -0.969 1.00 0.00 H new ATOM 0 HE2 LYS A 24 16.841 -13.699 -0.472 1.00 0.00 H new ATOM 0 HE3 LYS A 24 15.804 -12.302 -0.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 16.169 -12.790 1.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 14.529 -13.000 1.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 15.534 -14.353 1.466 1.00 0.00 H new ATOM 364 N THR A 25 13.928 -16.863 -5.224 1.00 0.00 N ATOM 365 CA THR A 25 12.604 -17.447 -5.409 1.00 0.00 C ATOM 366 C THR A 25 11.988 -17.818 -4.065 1.00 0.00 C ATOM 367 O THR A 25 12.567 -17.545 -3.013 1.00 0.00 O ATOM 368 CB THR A 25 12.689 -18.678 -6.311 1.00 0.00 C ATOM 369 OG1 THR A 25 13.321 -19.753 -5.640 1.00 0.00 O ATOM 370 CG2 THR A 25 13.451 -18.422 -7.592 1.00 0.00 C ATOM 0 H THR A 25 14.696 -17.531 -5.295 1.00 0.00 H new ATOM 0 HA THR A 25 11.965 -16.705 -5.888 1.00 0.00 H new ATOM 0 HB THR A 25 11.658 -18.926 -6.561 1.00 0.00 H new ATOM 0 HG1 THR A 25 13.363 -20.531 -6.235 1.00 0.00 H new ATOM 0 HG21 THR A 25 13.476 -19.334 -8.189 1.00 0.00 H new ATOM 0 HG22 THR A 25 12.957 -17.632 -8.157 1.00 0.00 H new ATOM 0 HG23 THR A 25 14.470 -18.116 -7.354 1.00 0.00 H new ATOM 378 N ARG A 26 10.809 -18.432 -4.098 1.00 0.00 N ATOM 379 CA ARG A 26 10.123 -18.828 -2.875 1.00 0.00 C ATOM 380 C ARG A 26 10.951 -19.831 -2.076 1.00 0.00 C ATOM 381 O ARG A 26 10.849 -19.897 -0.851 1.00 0.00 O ATOM 382 CB ARG A 26 8.755 -19.427 -3.209 1.00 0.00 C ATOM 383 CG ARG A 26 7.868 -18.495 -4.017 1.00 0.00 C ATOM 384 CD ARG A 26 6.557 -19.162 -4.402 1.00 0.00 C ATOM 385 NE ARG A 26 6.029 -18.644 -5.662 1.00 0.00 N ATOM 386 CZ ARG A 26 5.513 -17.425 -5.805 1.00 0.00 C ATOM 387 NH1 ARG A 26 5.443 -16.602 -4.768 1.00 0.00 N ATOM 388 NH2 ARG A 26 5.062 -17.031 -6.988 1.00 0.00 N ATOM 0 H ARG A 26 10.311 -18.665 -4.957 1.00 0.00 H new ATOM 0 HA ARG A 26 9.986 -17.937 -2.262 1.00 0.00 H new ATOM 0 HB2 ARG A 26 8.898 -20.353 -3.766 1.00 0.00 H new ATOM 0 HB3 ARG A 26 8.245 -19.688 -2.282 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.662 -17.595 -3.438 1.00 0.00 H new ATOM 0 HG3 ARG A 26 8.395 -18.181 -4.918 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.709 -20.238 -4.488 1.00 0.00 H new ATOM 0 HD3 ARG A 26 5.824 -19.006 -3.610 1.00 0.00 H new ATOM 0 HE ARG A 26 6.057 -19.252 -6.480 1.00 0.00 H new ATOM 0 HH11 ARG A 26 5.785 -16.902 -3.855 1.00 0.00 H new ATOM 0 HH12 ARG A 26 5.047 -15.669 -4.883 1.00 0.00 H new ATOM 0 HH21 ARG A 26 5.110 -17.662 -7.788 1.00 0.00 H new ATOM 0 HH22 ARG A 26 4.667 -16.097 -7.098 1.00 0.00 H new ATOM 402 N ALA A 27 11.750 -20.629 -2.778 1.00 0.00 N ATOM 403 CA ALA A 27 12.572 -21.645 -2.132 1.00 0.00 C ATOM 404 C ALA A 27 13.869 -21.073 -1.560 1.00 0.00 C ATOM 405 O ALA A 27 14.752 -21.827 -1.153 1.00 0.00 O ATOM 406 CB ALA A 27 12.883 -22.766 -3.114 1.00 0.00 C ATOM 0 H ALA A 27 11.845 -20.591 -3.793 1.00 0.00 H new ATOM 0 HA ALA A 27 11.998 -22.038 -1.293 1.00 0.00 H new ATOM 0 HB1 ALA A 27 13.497 -23.520 -2.622 1.00 0.00 H new ATOM 0 HB2 ALA A 27 11.952 -23.221 -3.453 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.422 -22.361 -3.970 1.00 0.00 H new ATOM 412 N GLN A 28 14.002 -19.748 -1.552 1.00 0.00 N ATOM 413 CA GLN A 28 15.215 -19.102 -1.056 1.00 0.00 C ATOM 414 C GLN A 28 16.407 -19.412 -1.954 1.00 0.00 C ATOM 415 O GLN A 28 17.537 -19.557 -1.486 1.00 0.00 O ATOM 416 CB GLN A 28 15.518 -19.551 0.377 1.00 0.00 C ATOM 417 CG GLN A 28 14.325 -19.456 1.312 1.00 0.00 C ATOM 418 CD GLN A 28 14.455 -20.370 2.514 1.00 0.00 C ATOM 419 OE1 GLN A 28 13.881 -21.458 2.545 1.00 0.00 O ATOM 420 NE2 GLN A 28 15.215 -19.931 3.511 1.00 0.00 N ATOM 0 H GLN A 28 13.286 -19.102 -1.883 1.00 0.00 H new ATOM 0 HA GLN A 28 15.043 -18.026 -1.064 1.00 0.00 H new ATOM 0 HB2 GLN A 28 15.872 -20.582 0.358 1.00 0.00 H new ATOM 0 HB3 GLN A 28 16.330 -18.942 0.775 1.00 0.00 H new ATOM 0 HG2 GLN A 28 14.216 -18.426 1.653 1.00 0.00 H new ATOM 0 HG3 GLN A 28 13.417 -19.709 0.764 1.00 0.00 H new ATOM 0 HE21 GLN A 28 15.672 -19.022 3.442 1.00 0.00 H new ATOM 0 HE22 GLN A 28 15.342 -20.503 4.346 1.00 0.00 H new ATOM 429 N GLN A 29 16.142 -19.472 -3.254 1.00 0.00 N ATOM 430 CA GLN A 29 17.177 -19.718 -4.249 1.00 0.00 C ATOM 431 C GLN A 29 17.264 -18.517 -5.181 1.00 0.00 C ATOM 432 O GLN A 29 16.238 -17.976 -5.589 1.00 0.00 O ATOM 433 CB GLN A 29 16.870 -20.990 -5.041 1.00 0.00 C ATOM 434 CG GLN A 29 17.162 -22.268 -4.271 1.00 0.00 C ATOM 435 CD GLN A 29 17.992 -23.256 -5.068 1.00 0.00 C ATOM 436 OE1 GLN A 29 19.059 -23.685 -4.628 1.00 0.00 O ATOM 437 NE2 GLN A 29 17.506 -23.621 -6.248 1.00 0.00 N ATOM 0 H GLN A 29 15.208 -19.352 -3.646 1.00 0.00 H new ATOM 0 HA GLN A 29 18.135 -19.859 -3.748 1.00 0.00 H new ATOM 0 HB2 GLN A 29 15.820 -20.983 -5.333 1.00 0.00 H new ATOM 0 HB3 GLN A 29 17.456 -20.987 -5.960 1.00 0.00 H new ATOM 0 HG2 GLN A 29 17.687 -22.019 -3.349 1.00 0.00 H new ATOM 0 HG3 GLN A 29 16.221 -22.738 -3.985 1.00 0.00 H new ATOM 0 HE21 GLN A 29 16.617 -23.240 -6.573 1.00 0.00 H new ATOM 0 HE22 GLN A 29 18.021 -24.282 -6.829 1.00 0.00 H new ATOM 446 N PHE A 30 18.478 -18.080 -5.499 1.00 0.00 N ATOM 447 CA PHE A 30 18.661 -16.914 -6.362 1.00 0.00 C ATOM 448 C PHE A 30 18.802 -17.309 -7.827 1.00 0.00 C ATOM 449 O PHE A 30 19.656 -18.121 -8.184 1.00 0.00 O ATOM 450 CB PHE A 30 19.894 -16.124 -5.919 1.00 0.00 C ATOM 451 CG PHE A 30 19.863 -15.736 -4.469 1.00 0.00 C ATOM 452 CD1 PHE A 30 20.276 -16.628 -3.492 1.00 0.00 C ATOM 453 CD2 PHE A 30 19.416 -14.483 -4.082 1.00 0.00 C ATOM 454 CE1 PHE A 30 20.244 -16.277 -2.155 1.00 0.00 C ATOM 455 CE2 PHE A 30 19.382 -14.126 -2.748 1.00 0.00 C ATOM 456 CZ PHE A 30 19.796 -15.024 -1.782 1.00 0.00 C ATOM 0 H PHE A 30 19.345 -18.510 -5.176 1.00 0.00 H new ATOM 0 HA PHE A 30 17.771 -16.292 -6.268 1.00 0.00 H new ATOM 0 HB2 PHE A 30 20.786 -16.720 -6.109 1.00 0.00 H new ATOM 0 HB3 PHE A 30 19.977 -15.223 -6.527 1.00 0.00 H new ATOM 0 HD1 PHE A 30 20.627 -17.608 -3.778 1.00 0.00 H new ATOM 0 HD2 PHE A 30 19.090 -13.777 -4.832 1.00 0.00 H new ATOM 0 HE1 PHE A 30 20.569 -16.981 -1.403 1.00 0.00 H new ATOM 0 HE2 PHE A 30 19.032 -13.146 -2.460 1.00 0.00 H new ATOM 0 HZ PHE A 30 19.769 -14.747 -0.738 1.00 0.00 H new ATOM 466 N VAL A 31 17.959 -16.723 -8.673 1.00 0.00 N ATOM 467 CA VAL A 31 17.987 -17.003 -10.102 1.00 0.00 C ATOM 468 C VAL A 31 18.019 -15.708 -10.908 1.00 0.00 C ATOM 469 O VAL A 31 17.557 -14.665 -10.445 1.00 0.00 O ATOM 470 CB VAL A 31 16.766 -17.834 -10.538 1.00 0.00 C ATOM 471 CG1 VAL A 31 16.872 -19.258 -10.017 1.00 0.00 C ATOM 472 CG2 VAL A 31 15.478 -17.178 -10.064 1.00 0.00 C ATOM 0 H VAL A 31 17.247 -16.050 -8.391 1.00 0.00 H new ATOM 0 HA VAL A 31 18.893 -17.577 -10.296 1.00 0.00 H new ATOM 0 HB VAL A 31 16.748 -17.874 -11.627 1.00 0.00 H new ATOM 0 HG11 VAL A 31 16.000 -19.828 -10.336 1.00 0.00 H new ATOM 0 HG12 VAL A 31 17.775 -19.724 -10.413 1.00 0.00 H new ATOM 0 HG13 VAL A 31 16.918 -19.245 -8.928 1.00 0.00 H new ATOM 0 HG21 VAL A 31 14.626 -17.779 -10.381 1.00 0.00 H new ATOM 0 HG22 VAL A 31 15.486 -17.105 -8.976 1.00 0.00 H new ATOM 0 HG23 VAL A 31 15.398 -16.180 -10.494 1.00 0.00 H new ATOM 482 N SER A 32 18.593 -15.774 -12.103 1.00 0.00 N ATOM 483 CA SER A 32 18.706 -14.599 -12.962 1.00 0.00 C ATOM 484 C SER A 32 17.356 -14.208 -13.560 1.00 0.00 C ATOM 485 O SER A 32 16.618 -15.050 -14.073 1.00 0.00 O ATOM 486 CB SER A 32 19.720 -14.854 -14.079 1.00 0.00 C ATOM 487 OG SER A 32 19.845 -13.722 -14.924 1.00 0.00 O ATOM 0 H SER A 32 18.987 -16.627 -12.500 1.00 0.00 H new ATOM 0 HA SER A 32 19.052 -13.770 -12.344 1.00 0.00 H new ATOM 0 HB2 SER A 32 20.690 -15.097 -13.645 1.00 0.00 H new ATOM 0 HB3 SER A 32 19.409 -15.718 -14.667 1.00 0.00 H new ATOM 0 HG SER A 32 20.500 -13.910 -15.628 1.00 0.00 H new ATOM 493 N THR A 33 17.052 -12.914 -13.496 1.00 0.00 N ATOM 494 CA THR A 33 15.803 -12.377 -14.027 1.00 0.00 C ATOM 495 C THR A 33 16.045 -11.016 -14.673 1.00 0.00 C ATOM 496 O THR A 33 17.064 -10.373 -14.419 1.00 0.00 O ATOM 497 CB THR A 33 14.750 -12.259 -12.923 1.00 0.00 C ATOM 498 OG1 THR A 33 13.607 -11.569 -13.395 1.00 0.00 O ATOM 499 CG2 THR A 33 15.248 -11.534 -11.692 1.00 0.00 C ATOM 0 H THR A 33 17.661 -12.212 -13.077 1.00 0.00 H new ATOM 0 HA THR A 33 15.429 -13.065 -14.785 1.00 0.00 H new ATOM 0 HB THR A 33 14.508 -13.285 -12.645 1.00 0.00 H new ATOM 0 HG1 THR A 33 13.130 -12.130 -14.042 1.00 0.00 H new ATOM 0 HG21 THR A 33 14.451 -11.487 -10.950 1.00 0.00 H new ATOM 0 HG22 THR A 33 16.101 -12.069 -11.274 1.00 0.00 H new ATOM 0 HG23 THR A 33 15.552 -10.523 -11.963 1.00 0.00 H new ATOM 507 N LYS A 34 15.117 -10.582 -15.518 1.00 0.00 N ATOM 508 CA LYS A 34 15.271 -9.309 -16.202 1.00 0.00 C ATOM 509 C LYS A 34 13.945 -8.565 -16.342 1.00 0.00 C ATOM 510 O LYS A 34 12.872 -9.166 -16.364 1.00 0.00 O ATOM 511 CB LYS A 34 15.879 -9.545 -17.586 1.00 0.00 C ATOM 512 CG LYS A 34 16.348 -8.276 -18.280 1.00 0.00 C ATOM 513 CD LYS A 34 16.708 -8.540 -19.733 1.00 0.00 C ATOM 514 CE LYS A 34 18.166 -8.946 -19.882 1.00 0.00 C ATOM 515 NZ LYS A 34 18.347 -10.006 -20.912 1.00 0.00 N ATOM 0 H LYS A 34 14.260 -11.088 -15.743 1.00 0.00 H new ATOM 0 HA LYS A 34 15.932 -8.687 -15.599 1.00 0.00 H new ATOM 0 HB2 LYS A 34 16.724 -10.227 -17.489 1.00 0.00 H new ATOM 0 HB3 LYS A 34 15.140 -10.040 -18.216 1.00 0.00 H new ATOM 0 HG2 LYS A 34 15.564 -7.521 -18.229 1.00 0.00 H new ATOM 0 HG3 LYS A 34 17.214 -7.872 -17.756 1.00 0.00 H new ATOM 0 HD2 LYS A 34 16.068 -9.328 -20.130 1.00 0.00 H new ATOM 0 HD3 LYS A 34 16.516 -7.645 -20.325 1.00 0.00 H new ATOM 0 HE2 LYS A 34 18.760 -8.073 -20.152 1.00 0.00 H new ATOM 0 HE3 LYS A 34 18.543 -9.304 -18.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 19.355 -10.254 -20.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 17.801 -10.849 -20.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 18.012 -9.657 -21.832 1.00 0.00 H new ATOM 529 N ILE A 35 14.050 -7.244 -16.461 1.00 0.00 N ATOM 530 CA ILE A 35 12.893 -6.370 -16.622 1.00 0.00 C ATOM 531 C ILE A 35 13.202 -5.339 -17.701 1.00 0.00 C ATOM 532 O ILE A 35 14.210 -4.638 -17.619 1.00 0.00 O ATOM 533 CB ILE A 35 12.548 -5.654 -15.297 1.00 0.00 C ATOM 534 CG1 ILE A 35 11.273 -4.820 -15.446 1.00 0.00 C ATOM 535 CG2 ILE A 35 13.708 -4.782 -14.839 1.00 0.00 C ATOM 536 CD1 ILE A 35 10.040 -5.497 -14.887 1.00 0.00 C ATOM 0 H ILE A 35 14.942 -6.749 -16.448 1.00 0.00 H new ATOM 0 HA ILE A 35 12.032 -6.973 -16.912 1.00 0.00 H new ATOM 0 HB ILE A 35 12.371 -6.415 -14.537 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.413 -3.864 -14.942 1.00 0.00 H new ATOM 0 HG13 ILE A 35 11.112 -4.603 -16.502 1.00 0.00 H new ATOM 0 HG21 ILE A 35 13.444 -4.287 -13.904 1.00 0.00 H new ATOM 0 HG22 ILE A 35 14.591 -5.403 -14.684 1.00 0.00 H new ATOM 0 HG23 ILE A 35 13.921 -4.031 -15.600 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.174 -4.849 -15.027 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.875 -6.440 -15.408 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.181 -5.689 -13.823 1.00 0.00 H new ATOM 548 N ASN A 36 12.356 -5.250 -18.725 1.00 0.00 N ATOM 549 CA ASN A 36 12.587 -4.309 -19.818 1.00 0.00 C ATOM 550 C ASN A 36 11.961 -2.953 -19.514 1.00 0.00 C ATOM 551 O ASN A 36 10.751 -2.850 -19.318 1.00 0.00 O ATOM 552 CB ASN A 36 12.000 -4.869 -21.113 1.00 0.00 C ATOM 553 CG ASN A 36 12.615 -4.236 -22.344 1.00 0.00 C ATOM 554 OD1 ASN A 36 13.135 -3.122 -22.289 1.00 0.00 O ATOM 555 ND2 ASN A 36 12.557 -4.944 -23.464 1.00 0.00 N ATOM 0 H ASN A 36 11.511 -5.813 -18.821 1.00 0.00 H new ATOM 0 HA ASN A 36 13.662 -4.172 -19.931 1.00 0.00 H new ATOM 0 HB2 ASN A 36 12.158 -5.947 -21.144 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.923 -4.704 -21.122 1.00 0.00 H new ATOM 0 HD21 ASN A 36 12.953 -4.569 -24.326 1.00 0.00 H new ATOM 0 HD22 ASN A 36 12.116 -5.864 -23.464 1.00 0.00 H new ATOM 562 N LEU A 37 12.786 -1.916 -19.477 1.00 0.00 N ATOM 563 CA LEU A 37 12.303 -0.568 -19.192 1.00 0.00 C ATOM 564 C LEU A 37 11.858 0.160 -20.462 1.00 0.00 C ATOM 565 O LEU A 37 11.220 1.209 -20.384 1.00 0.00 O ATOM 566 CB LEU A 37 13.389 0.236 -18.476 1.00 0.00 C ATOM 567 CG LEU A 37 13.919 -0.407 -17.191 1.00 0.00 C ATOM 568 CD1 LEU A 37 15.086 -1.337 -17.496 1.00 0.00 C ATOM 569 CD2 LEU A 37 14.331 0.661 -16.187 1.00 0.00 C ATOM 0 H LEU A 37 13.791 -1.980 -19.640 1.00 0.00 H new ATOM 0 HA LEU A 37 11.431 -0.659 -18.544 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.223 0.386 -19.162 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.993 1.223 -18.236 1.00 0.00 H new ATOM 0 HG LEU A 37 13.117 -1.000 -16.750 1.00 0.00 H new ATOM 0 HD11 LEU A 37 15.447 -1.783 -16.570 1.00 0.00 H new ATOM 0 HD12 LEU A 37 14.756 -2.125 -18.174 1.00 0.00 H new ATOM 0 HD13 LEU A 37 15.891 -0.770 -17.964 1.00 0.00 H new ATOM 0 HD21 LEU A 37 14.705 0.184 -15.281 1.00 0.00 H new ATOM 0 HD22 LEU A 37 15.115 1.284 -16.619 1.00 0.00 H new ATOM 0 HD23 LEU A 37 13.469 1.281 -15.941 1.00 0.00 H new ATOM 581 N ASP A 38 12.232 -0.368 -21.627 1.00 0.00 N ATOM 582 CA ASP A 38 11.892 0.273 -22.895 1.00 0.00 C ATOM 583 C ASP A 38 10.378 0.461 -23.069 1.00 0.00 C ATOM 584 O ASP A 38 9.926 1.534 -23.469 1.00 0.00 O ATOM 585 CB ASP A 38 12.466 -0.531 -24.069 1.00 0.00 C ATOM 586 CG ASP A 38 11.605 -1.721 -24.458 1.00 0.00 C ATOM 587 OD1 ASP A 38 11.096 -2.409 -23.550 1.00 0.00 O ATOM 588 OD2 ASP A 38 11.439 -1.962 -25.672 1.00 0.00 O ATOM 0 H ASP A 38 12.767 -1.232 -21.718 1.00 0.00 H new ATOM 0 HA ASP A 38 12.340 1.266 -22.883 1.00 0.00 H new ATOM 0 HB2 ASP A 38 12.577 0.126 -24.931 1.00 0.00 H new ATOM 0 HB3 ASP A 38 13.464 -0.883 -23.806 1.00 0.00 H new ATOM 593 N ASP A 39 9.591 -0.567 -22.760 1.00 0.00 N ATOM 594 CA ASP A 39 8.137 -0.468 -22.885 1.00 0.00 C ATOM 595 C ASP A 39 7.492 -0.019 -21.580 1.00 0.00 C ATOM 596 O ASP A 39 6.307 0.308 -21.550 1.00 0.00 O ATOM 597 CB ASP A 39 7.518 -1.791 -23.334 1.00 0.00 C ATOM 598 CG ASP A 39 8.092 -2.984 -22.596 1.00 0.00 C ATOM 599 OD1 ASP A 39 7.750 -3.165 -21.408 1.00 0.00 O ATOM 600 OD2 ASP A 39 8.880 -3.736 -23.205 1.00 0.00 O ATOM 0 H ASP A 39 9.930 -1.469 -22.425 1.00 0.00 H new ATOM 0 HA ASP A 39 7.942 0.285 -23.649 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.440 -1.755 -23.176 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.680 -1.919 -24.404 1.00 0.00 H new ATOM 605 N HIS A 40 8.270 0.002 -20.502 1.00 0.00 N ATOM 606 CA HIS A 40 7.760 0.419 -19.201 1.00 0.00 C ATOM 607 C HIS A 40 8.126 1.877 -18.949 1.00 0.00 C ATOM 608 O HIS A 40 7.254 2.745 -18.886 1.00 0.00 O ATOM 609 CB HIS A 40 8.335 -0.475 -18.097 1.00 0.00 C ATOM 610 CG HIS A 40 7.579 -1.756 -17.918 1.00 0.00 C ATOM 611 ND1 HIS A 40 6.228 -1.797 -17.639 1.00 0.00 N ATOM 612 CD2 HIS A 40 7.985 -3.047 -17.992 1.00 0.00 C ATOM 613 CE1 HIS A 40 5.837 -3.055 -17.551 1.00 0.00 C ATOM 614 NE2 HIS A 40 6.883 -3.832 -17.761 1.00 0.00 N ATOM 0 H HIS A 40 9.255 -0.265 -20.504 1.00 0.00 H new ATOM 0 HA HIS A 40 6.674 0.321 -19.194 1.00 0.00 H new ATOM 0 HB2 HIS A 40 9.375 -0.704 -18.330 1.00 0.00 H new ATOM 0 HB3 HIS A 40 8.333 0.075 -17.156 1.00 0.00 H new ATOM 0 HD2 HIS A 40 8.988 -3.393 -18.195 1.00 0.00 H new ATOM 0 HE1 HIS A 40 4.832 -3.391 -17.343 1.00 0.00 H new ATOM 0 HE2 HIS A 40 6.874 -4.852 -17.753 1.00 0.00 H new ATOM 623 N ILE A 41 9.423 2.140 -18.826 1.00 0.00 N ATOM 624 CA ILE A 41 9.908 3.494 -18.607 1.00 0.00 C ATOM 625 C ILE A 41 9.959 4.268 -19.921 1.00 0.00 C ATOM 626 O ILE A 41 10.148 3.684 -20.986 1.00 0.00 O ATOM 627 CB ILE A 41 11.307 3.506 -17.959 1.00 0.00 C ATOM 628 CG1 ILE A 41 11.382 2.484 -16.821 1.00 0.00 C ATOM 629 CG2 ILE A 41 11.639 4.900 -17.447 1.00 0.00 C ATOM 630 CD1 ILE A 41 10.319 2.678 -15.762 1.00 0.00 C ATOM 0 H ILE A 41 10.156 1.432 -18.875 1.00 0.00 H new ATOM 0 HA ILE A 41 9.207 3.974 -17.924 1.00 0.00 H new ATOM 0 HB ILE A 41 12.042 3.230 -18.715 1.00 0.00 H new ATOM 0 HG12 ILE A 41 11.289 1.481 -17.238 1.00 0.00 H new ATOM 0 HG13 ILE A 41 12.365 2.545 -16.353 1.00 0.00 H new ATOM 0 HG21 ILE A 41 12.629 4.894 -16.992 1.00 0.00 H new ATOM 0 HG22 ILE A 41 11.626 5.606 -18.278 1.00 0.00 H new ATOM 0 HG23 ILE A 41 10.900 5.200 -16.704 1.00 0.00 H new ATOM 0 HD11 ILE A 41 10.433 1.919 -14.988 1.00 0.00 H new ATOM 0 HD12 ILE A 41 10.424 3.668 -15.318 1.00 0.00 H new ATOM 0 HD13 ILE A 41 9.332 2.587 -16.216 1.00 0.00 H new ATOM 642 N ALA A 42 9.777 5.579 -19.829 1.00 0.00 N ATOM 643 CA ALA A 42 9.791 6.445 -21.009 1.00 0.00 C ATOM 644 C ALA A 42 10.487 7.772 -20.727 1.00 0.00 C ATOM 645 O ALA A 42 10.841 8.075 -19.587 1.00 0.00 O ATOM 646 CB ALA A 42 8.373 6.699 -21.492 1.00 0.00 C ATOM 0 H ALA A 42 9.617 6.070 -18.949 1.00 0.00 H new ATOM 0 HA ALA A 42 10.353 5.929 -21.787 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.398 7.344 -22.370 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.902 5.751 -21.752 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.801 7.184 -20.701 1.00 0.00 H new ATOM 652 N ASN A 43 10.686 8.553 -21.785 1.00 0.00 N ATOM 653 CA ASN A 43 11.341 9.852 -21.679 1.00 0.00 C ATOM 654 C ASN A 43 10.351 10.972 -21.981 1.00 0.00 C ATOM 655 O ASN A 43 9.917 11.140 -23.119 1.00 0.00 O ATOM 656 CB ASN A 43 12.522 9.925 -22.647 1.00 0.00 C ATOM 657 CG ASN A 43 13.210 11.273 -22.626 1.00 0.00 C ATOM 658 OD1 ASN A 43 13.928 11.599 -21.682 1.00 0.00 O ATOM 659 ND2 ASN A 43 12.989 12.064 -23.669 1.00 0.00 N ATOM 0 H ASN A 43 10.400 8.306 -22.732 1.00 0.00 H new ATOM 0 HA ASN A 43 11.708 9.974 -20.660 1.00 0.00 H new ATOM 0 HB2 ASN A 43 13.244 9.149 -22.393 1.00 0.00 H new ATOM 0 HB3 ASN A 43 12.172 9.716 -23.658 1.00 0.00 H new ATOM 0 HD21 ASN A 43 13.423 12.986 -23.711 1.00 0.00 H new ATOM 0 HD22 ASN A 43 12.385 11.750 -24.429 1.00 0.00 H new ATOM 666 N ILE A 44 10.000 11.734 -20.953 1.00 0.00 N ATOM 667 CA ILE A 44 9.062 12.838 -21.104 1.00 0.00 C ATOM 668 C ILE A 44 9.766 14.184 -20.931 1.00 0.00 C ATOM 669 O ILE A 44 9.854 14.713 -19.823 1.00 0.00 O ATOM 670 CB ILE A 44 7.901 12.719 -20.097 1.00 0.00 C ATOM 671 CG1 ILE A 44 7.213 11.360 -20.244 1.00 0.00 C ATOM 672 CG2 ILE A 44 6.898 13.848 -20.295 1.00 0.00 C ATOM 673 CD1 ILE A 44 6.591 11.141 -21.608 1.00 0.00 C ATOM 0 H ILE A 44 10.352 11.607 -20.004 1.00 0.00 H new ATOM 0 HA ILE A 44 8.654 12.785 -22.114 1.00 0.00 H new ATOM 0 HB ILE A 44 8.308 12.799 -19.089 1.00 0.00 H new ATOM 0 HG12 ILE A 44 7.941 10.571 -20.055 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.439 11.269 -19.482 1.00 0.00 H new ATOM 0 HG21 ILE A 44 6.087 13.745 -19.574 1.00 0.00 H new ATOM 0 HG22 ILE A 44 7.395 14.807 -20.147 1.00 0.00 H new ATOM 0 HG23 ILE A 44 6.493 13.802 -21.306 1.00 0.00 H new ATOM 0 HD11 ILE A 44 6.122 10.158 -21.640 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.839 11.908 -21.792 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.364 11.199 -22.374 1.00 0.00 H new ATOM 685 N ASP A 45 10.270 14.729 -22.037 1.00 0.00 N ATOM 686 CA ASP A 45 10.975 16.011 -22.019 1.00 0.00 C ATOM 687 C ASP A 45 12.310 15.888 -21.291 1.00 0.00 C ATOM 688 O ASP A 45 12.716 16.792 -20.561 1.00 0.00 O ATOM 689 CB ASP A 45 10.116 17.088 -21.349 1.00 0.00 C ATOM 690 CG ASP A 45 10.561 18.490 -21.717 1.00 0.00 C ATOM 691 OD1 ASP A 45 11.646 18.907 -21.260 1.00 0.00 O ATOM 692 OD2 ASP A 45 9.826 19.170 -22.463 1.00 0.00 O ATOM 0 H ASP A 45 10.203 14.301 -22.961 1.00 0.00 H new ATOM 0 HA ASP A 45 11.167 16.302 -23.052 1.00 0.00 H new ATOM 0 HB2 ASP A 45 9.074 16.952 -21.640 1.00 0.00 H new ATOM 0 HB3 ASP A 45 10.163 16.966 -20.267 1.00 0.00 H new ATOM 697 N GLY A 46 12.995 14.770 -21.503 1.00 0.00 N ATOM 698 CA GLY A 46 14.280 14.558 -20.863 1.00 0.00 C ATOM 699 C GLY A 46 14.156 14.035 -19.445 1.00 0.00 C ATOM 700 O GLY A 46 15.163 13.813 -18.771 1.00 0.00 O ATOM 0 H GLY A 46 12.684 14.008 -22.105 1.00 0.00 H new ATOM 0 HA2 GLY A 46 14.863 13.852 -21.455 1.00 0.00 H new ATOM 0 HA3 GLY A 46 14.833 15.497 -20.851 1.00 0.00 H new ATOM 704 N THR A 47 12.923 13.830 -18.987 1.00 0.00 N ATOM 705 CA THR A 47 12.683 13.328 -17.642 1.00 0.00 C ATOM 706 C THR A 47 12.138 11.905 -17.683 1.00 0.00 C ATOM 707 O THR A 47 11.289 11.576 -18.512 1.00 0.00 O ATOM 708 CB THR A 47 11.696 14.238 -16.908 1.00 0.00 C ATOM 709 OG1 THR A 47 12.055 15.600 -17.063 1.00 0.00 O ATOM 710 CG2 THR A 47 11.607 13.953 -15.424 1.00 0.00 C ATOM 0 H THR A 47 12.077 14.005 -19.529 1.00 0.00 H new ATOM 0 HA THR A 47 13.633 13.321 -17.108 1.00 0.00 H new ATOM 0 HB THR A 47 10.726 14.032 -17.360 1.00 0.00 H new ATOM 0 HG1 THR A 47 11.410 16.164 -16.588 1.00 0.00 H new ATOM 0 HG21 THR A 47 10.890 14.634 -14.965 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.281 12.924 -15.270 1.00 0.00 H new ATOM 0 HG23 THR A 47 12.586 14.096 -14.967 1.00 0.00 H new ATOM 718 N LEU A 48 12.658 11.058 -16.804 1.00 0.00 N ATOM 719 CA LEU A 48 12.247 9.661 -16.769 1.00 0.00 C ATOM 720 C LEU A 48 10.889 9.508 -16.097 1.00 0.00 C ATOM 721 O LEU A 48 10.721 9.795 -14.912 1.00 0.00 O ATOM 722 CB LEU A 48 13.288 8.817 -16.028 1.00 0.00 C ATOM 723 CG LEU A 48 14.582 8.552 -16.801 1.00 0.00 C ATOM 724 CD1 LEU A 48 15.707 8.177 -15.846 1.00 0.00 C ATOM 725 CD2 LEU A 48 14.370 7.456 -17.834 1.00 0.00 C ATOM 0 H LEU A 48 13.361 11.312 -16.110 1.00 0.00 H new ATOM 0 HA LEU A 48 12.167 9.310 -17.798 1.00 0.00 H new ATOM 0 HB2 LEU A 48 13.538 9.317 -15.092 1.00 0.00 H new ATOM 0 HB3 LEU A 48 12.837 7.860 -15.767 1.00 0.00 H new ATOM 0 HG LEU A 48 14.865 9.466 -17.323 1.00 0.00 H new ATOM 0 HD11 LEU A 48 16.619 7.992 -16.413 1.00 0.00 H new ATOM 0 HD12 LEU A 48 15.875 8.993 -15.144 1.00 0.00 H new ATOM 0 HD13 LEU A 48 15.433 7.277 -15.296 1.00 0.00 H new ATOM 0 HD21 LEU A 48 15.300 7.281 -18.374 1.00 0.00 H new ATOM 0 HD22 LEU A 48 14.063 6.538 -17.333 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.595 7.763 -18.536 1.00 0.00 H new ATOM 737 N LYS A 49 9.926 9.043 -16.885 1.00 0.00 N ATOM 738 CA LYS A 49 8.566 8.830 -16.418 1.00 0.00 C ATOM 739 C LYS A 49 8.050 7.483 -16.911 1.00 0.00 C ATOM 740 O LYS A 49 8.599 6.907 -17.849 1.00 0.00 O ATOM 741 CB LYS A 49 7.650 9.949 -16.917 1.00 0.00 C ATOM 742 CG LYS A 49 8.016 11.325 -16.386 1.00 0.00 C ATOM 743 CD LYS A 49 6.802 12.239 -16.335 1.00 0.00 C ATOM 744 CE LYS A 49 7.204 13.690 -16.123 1.00 0.00 C ATOM 745 NZ LYS A 49 6.208 14.426 -15.296 1.00 0.00 N ATOM 0 H LYS A 49 10.069 8.804 -17.866 1.00 0.00 H new ATOM 0 HA LYS A 49 8.568 8.836 -15.328 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.679 9.971 -18.006 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.624 9.720 -16.630 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.444 11.230 -15.388 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.782 11.770 -17.021 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.238 12.149 -17.264 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.141 11.922 -15.529 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.179 13.730 -15.638 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.309 14.183 -17.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.518 15.411 -15.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.283 14.410 -15.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.126 13.971 -14.364 1.00 0.00 H new ATOM 759 N TRP A 50 6.995 6.983 -16.281 1.00 0.00 N ATOM 760 CA TRP A 50 6.424 5.697 -16.667 1.00 0.00 C ATOM 761 C TRP A 50 5.405 5.861 -17.794 1.00 0.00 C ATOM 762 O TRP A 50 4.398 6.552 -17.641 1.00 0.00 O ATOM 763 CB TRP A 50 5.781 5.022 -15.455 1.00 0.00 C ATOM 764 CG TRP A 50 6.799 4.406 -14.547 1.00 0.00 C ATOM 765 CD1 TRP A 50 7.518 3.271 -14.780 1.00 0.00 C ATOM 766 CD2 TRP A 50 7.228 4.900 -13.274 1.00 0.00 C ATOM 767 NE1 TRP A 50 8.375 3.035 -13.735 1.00 0.00 N ATOM 768 CE2 TRP A 50 8.213 4.018 -12.797 1.00 0.00 C ATOM 769 CE3 TRP A 50 6.879 6.004 -12.494 1.00 0.00 C ATOM 770 CZ2 TRP A 50 8.851 4.205 -11.576 1.00 0.00 C ATOM 771 CZ3 TRP A 50 7.514 6.187 -11.281 1.00 0.00 C ATOM 772 CH2 TRP A 50 8.491 5.292 -10.833 1.00 0.00 C ATOM 0 H TRP A 50 6.519 7.444 -15.505 1.00 0.00 H new ATOM 0 HA TRP A 50 7.230 5.063 -17.037 1.00 0.00 H new ATOM 0 HB2 TRP A 50 5.197 5.756 -14.899 1.00 0.00 H new ATOM 0 HB3 TRP A 50 5.087 4.253 -15.795 1.00 0.00 H new ATOM 0 HD1 TRP A 50 7.426 2.649 -15.658 1.00 0.00 H new ATOM 0 HE1 TRP A 50 9.027 2.254 -13.668 1.00 0.00 H new ATOM 0 HE3 TRP A 50 6.127 6.701 -12.832 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 9.605 3.515 -11.228 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 7.251 7.036 -10.668 1.00 0.00 H new ATOM 0 HH2 TRP A 50 8.970 5.464 -9.880 1.00 0.00 H new ATOM 783 N GLN A 51 5.684 5.222 -18.928 1.00 0.00 N ATOM 784 CA GLN A 51 4.805 5.295 -20.094 1.00 0.00 C ATOM 785 C GLN A 51 5.321 4.378 -21.202 1.00 0.00 C ATOM 786 O GLN A 51 6.528 4.262 -21.399 1.00 0.00 O ATOM 787 CB GLN A 51 4.727 6.742 -20.597 1.00 0.00 C ATOM 788 CG GLN A 51 3.887 6.921 -21.852 1.00 0.00 C ATOM 789 CD GLN A 51 2.448 7.293 -21.546 1.00 0.00 C ATOM 790 OE1 GLN A 51 1.513 6.670 -22.047 1.00 0.00 O ATOM 791 NE2 GLN A 51 2.265 8.319 -20.721 1.00 0.00 N ATOM 0 H GLN A 51 6.515 4.646 -19.065 1.00 0.00 H new ATOM 0 HA GLN A 51 3.807 4.965 -19.807 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.316 7.368 -19.805 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.737 7.101 -20.795 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.333 7.696 -22.475 1.00 0.00 H new ATOM 0 HG3 GLN A 51 3.904 5.997 -22.430 1.00 0.00 H new ATOM 0 HE21 GLN A 51 3.070 8.807 -20.328 1.00 0.00 H new ATOM 0 HE22 GLN A 51 1.320 8.618 -20.481 1.00 0.00 H new ATOM 800 N PRO A 52 4.417 3.696 -21.935 1.00 0.00 N ATOM 801 CA PRO A 52 4.812 2.778 -23.010 1.00 0.00 C ATOM 802 C PRO A 52 5.573 3.476 -24.133 1.00 0.00 C ATOM 803 O PRO A 52 5.039 3.722 -25.215 1.00 0.00 O ATOM 804 CB PRO A 52 3.489 2.202 -23.521 1.00 0.00 C ATOM 805 CG PRO A 52 2.435 3.145 -23.041 1.00 0.00 C ATOM 806 CD PRO A 52 2.955 3.748 -21.764 1.00 0.00 C ATOM 0 HA PRO A 52 5.498 2.014 -22.645 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.486 2.130 -24.609 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.323 1.197 -23.134 1.00 0.00 H new ATOM 0 HG2 PRO A 52 2.238 3.918 -23.784 1.00 0.00 H new ATOM 0 HG3 PRO A 52 1.495 2.622 -22.869 1.00 0.00 H new ATOM 0 HD2 PRO A 52 2.602 4.770 -21.629 1.00 0.00 H new ATOM 0 HD3 PRO A 52 2.632 3.181 -20.891 1.00 0.00 H new ATOM 814 N SER A 53 6.835 3.770 -23.854 1.00 0.00 N ATOM 815 CA SER A 53 7.728 4.421 -24.803 1.00 0.00 C ATOM 816 C SER A 53 9.157 4.309 -24.284 1.00 0.00 C ATOM 817 O SER A 53 9.399 4.492 -23.094 1.00 0.00 O ATOM 818 CB SER A 53 7.335 5.887 -25.004 1.00 0.00 C ATOM 819 OG SER A 53 6.950 6.486 -23.781 1.00 0.00 O ATOM 0 H SER A 53 7.272 3.562 -22.956 1.00 0.00 H new ATOM 0 HA SER A 53 7.652 3.929 -25.772 1.00 0.00 H new ATOM 0 HB2 SER A 53 8.174 6.436 -25.432 1.00 0.00 H new ATOM 0 HB3 SER A 53 6.514 5.952 -25.718 1.00 0.00 H new ATOM 0 HG SER A 53 6.706 7.422 -23.938 1.00 0.00 H new ATOM 825 N ASN A 54 10.094 3.965 -25.159 1.00 0.00 N ATOM 826 CA ASN A 54 11.489 3.787 -24.747 1.00 0.00 C ATOM 827 C ASN A 54 12.245 5.107 -24.663 1.00 0.00 C ATOM 828 O ASN A 54 12.575 5.718 -25.680 1.00 0.00 O ATOM 829 CB ASN A 54 12.229 2.838 -25.699 1.00 0.00 C ATOM 830 CG ASN A 54 11.313 1.839 -26.388 1.00 0.00 C ATOM 831 OD1 ASN A 54 10.227 1.531 -25.899 1.00 0.00 O ATOM 832 ND2 ASN A 54 11.753 1.325 -27.530 1.00 0.00 N ATOM 0 H ASN A 54 9.920 3.804 -26.151 1.00 0.00 H new ATOM 0 HA ASN A 54 11.458 3.351 -23.748 1.00 0.00 H new ATOM 0 HB2 ASN A 54 12.748 3.426 -26.456 1.00 0.00 H new ATOM 0 HB3 ASN A 54 12.991 2.295 -25.140 1.00 0.00 H new ATOM 0 HD21 ASN A 54 11.184 0.647 -28.037 1.00 0.00 H new ATOM 0 HD22 ASN A 54 12.660 1.608 -27.901 1.00 0.00 H new ATOM 839 N PHE A 55 12.544 5.519 -23.435 1.00 0.00 N ATOM 840 CA PHE A 55 13.292 6.747 -23.185 1.00 0.00 C ATOM 841 C PHE A 55 14.556 6.797 -24.046 1.00 0.00 C ATOM 842 O PHE A 55 15.016 7.868 -24.440 1.00 0.00 O ATOM 843 CB PHE A 55 13.663 6.839 -21.702 1.00 0.00 C ATOM 844 CG PHE A 55 14.411 5.639 -21.195 1.00 0.00 C ATOM 845 CD1 PHE A 55 15.759 5.481 -21.464 1.00 0.00 C ATOM 846 CD2 PHE A 55 13.760 4.664 -20.456 1.00 0.00 C ATOM 847 CE1 PHE A 55 16.447 4.374 -21.006 1.00 0.00 C ATOM 848 CE2 PHE A 55 14.442 3.555 -19.995 1.00 0.00 C ATOM 849 CZ PHE A 55 15.787 3.410 -20.271 1.00 0.00 C ATOM 0 H PHE A 55 12.277 5.015 -22.590 1.00 0.00 H new ATOM 0 HA PHE A 55 12.662 7.596 -23.451 1.00 0.00 H new ATOM 0 HB2 PHE A 55 14.271 7.730 -21.542 1.00 0.00 H new ATOM 0 HB3 PHE A 55 12.753 6.964 -21.115 1.00 0.00 H new ATOM 0 HD1 PHE A 55 16.280 6.232 -22.039 1.00 0.00 H new ATOM 0 HD2 PHE A 55 12.708 4.773 -20.238 1.00 0.00 H new ATOM 0 HE1 PHE A 55 17.499 4.263 -21.223 1.00 0.00 H new ATOM 0 HE2 PHE A 55 13.924 2.802 -19.419 1.00 0.00 H new ATOM 0 HZ PHE A 55 16.322 2.543 -19.912 1.00 0.00 H new ATOM 859 N SER A 56 15.109 5.617 -24.331 1.00 0.00 N ATOM 860 CA SER A 56 16.331 5.488 -25.127 1.00 0.00 C ATOM 861 C SER A 56 16.286 6.298 -26.426 1.00 0.00 C ATOM 862 O SER A 56 17.323 6.533 -27.045 1.00 0.00 O ATOM 863 CB SER A 56 16.595 4.016 -25.453 1.00 0.00 C ATOM 864 OG SER A 56 15.700 3.543 -26.444 1.00 0.00 O ATOM 0 H SER A 56 14.724 4.726 -24.018 1.00 0.00 H new ATOM 0 HA SER A 56 17.142 5.892 -24.520 1.00 0.00 H new ATOM 0 HB2 SER A 56 17.622 3.896 -25.799 1.00 0.00 H new ATOM 0 HB3 SER A 56 16.491 3.416 -24.549 1.00 0.00 H new ATOM 0 HG SER A 56 15.891 2.601 -26.635 1.00 0.00 H new ATOM 870 N GLN A 57 15.094 6.716 -26.847 1.00 0.00 N ATOM 871 CA GLN A 57 14.959 7.481 -28.083 1.00 0.00 C ATOM 872 C GLN A 57 15.690 8.818 -27.986 1.00 0.00 C ATOM 873 O GLN A 57 16.171 9.343 -28.989 1.00 0.00 O ATOM 874 CB GLN A 57 13.481 7.717 -28.403 1.00 0.00 C ATOM 875 CG GLN A 57 12.735 6.454 -28.805 1.00 0.00 C ATOM 876 CD GLN A 57 11.529 6.741 -29.677 1.00 0.00 C ATOM 877 OE1 GLN A 57 11.085 7.884 -29.785 1.00 0.00 O ATOM 878 NE2 GLN A 57 10.992 5.701 -30.307 1.00 0.00 N ATOM 0 H GLN A 57 14.217 6.540 -26.356 1.00 0.00 H new ATOM 0 HA GLN A 57 15.411 6.901 -28.887 1.00 0.00 H new ATOM 0 HB2 GLN A 57 12.995 8.154 -27.531 1.00 0.00 H new ATOM 0 HB3 GLN A 57 13.405 8.446 -29.210 1.00 0.00 H new ATOM 0 HG2 GLN A 57 13.415 5.790 -29.339 1.00 0.00 H new ATOM 0 HG3 GLN A 57 12.412 5.926 -27.908 1.00 0.00 H new ATOM 0 HE21 GLN A 57 11.393 4.771 -30.189 1.00 0.00 H new ATOM 0 HE22 GLN A 57 10.179 5.833 -30.909 1.00 0.00 H new ATOM 887 N THR A 58 15.783 9.360 -26.776 1.00 0.00 N ATOM 888 CA THR A 58 16.470 10.632 -26.563 1.00 0.00 C ATOM 889 C THR A 58 17.500 10.525 -25.438 1.00 0.00 C ATOM 890 O THR A 58 18.137 11.513 -25.077 1.00 0.00 O ATOM 891 CB THR A 58 15.470 11.734 -26.207 1.00 0.00 C ATOM 892 OG1 THR A 58 15.122 11.659 -24.837 1.00 0.00 O ATOM 893 CG2 THR A 58 14.184 11.674 -27.000 1.00 0.00 C ATOM 0 H THR A 58 15.394 8.942 -25.931 1.00 0.00 H new ATOM 0 HA THR A 58 16.979 10.881 -27.494 1.00 0.00 H new ATOM 0 HB THR A 58 15.978 12.667 -26.449 1.00 0.00 H new ATOM 0 HG1 THR A 58 15.368 12.496 -24.391 1.00 0.00 H new ATOM 0 HG21 THR A 58 13.527 12.487 -26.690 1.00 0.00 H new ATOM 0 HG22 THR A 58 14.407 11.772 -28.062 1.00 0.00 H new ATOM 0 HG23 THR A 58 13.689 10.720 -26.820 1.00 0.00 H new ATOM 901 N CYS A 59 17.645 9.334 -24.867 1.00 0.00 N ATOM 902 CA CYS A 59 18.580 9.137 -23.772 1.00 0.00 C ATOM 903 C CYS A 59 19.742 8.236 -24.173 1.00 0.00 C ATOM 904 O CYS A 59 19.597 7.338 -25.003 1.00 0.00 O ATOM 905 CB CYS A 59 17.858 8.539 -22.561 1.00 0.00 C ATOM 906 SG CYS A 59 16.245 9.305 -22.202 1.00 0.00 S ATOM 0 H CYS A 59 17.130 8.498 -25.143 1.00 0.00 H new ATOM 0 HA CYS A 59 18.987 10.114 -23.511 1.00 0.00 H new ATOM 0 HB2 CYS A 59 17.712 7.472 -22.729 1.00 0.00 H new ATOM 0 HB3 CYS A 59 18.498 8.639 -21.684 1.00 0.00 H new ATOM 911 N TYR A 60 20.902 8.502 -23.580 1.00 0.00 N ATOM 912 CA TYR A 60 22.111 7.732 -23.854 1.00 0.00 C ATOM 913 C TYR A 60 22.925 7.570 -22.575 1.00 0.00 C ATOM 914 O TYR A 60 22.765 8.342 -21.628 1.00 0.00 O ATOM 915 CB TYR A 60 22.953 8.404 -24.943 1.00 0.00 C ATOM 916 CG TYR A 60 23.458 9.783 -24.574 1.00 0.00 C ATOM 917 CD1 TYR A 60 24.546 9.941 -23.725 1.00 0.00 C ATOM 918 CD2 TYR A 60 22.852 10.925 -25.081 1.00 0.00 C ATOM 919 CE1 TYR A 60 25.014 11.199 -23.391 1.00 0.00 C ATOM 920 CE2 TYR A 60 23.314 12.185 -24.754 1.00 0.00 C ATOM 921 CZ TYR A 60 24.395 12.317 -23.908 1.00 0.00 C ATOM 922 OH TYR A 60 24.859 13.571 -23.580 1.00 0.00 O ATOM 0 H TYR A 60 21.030 9.252 -22.901 1.00 0.00 H new ATOM 0 HA TYR A 60 21.819 6.746 -24.216 1.00 0.00 H new ATOM 0 HB2 TYR A 60 23.807 7.766 -25.172 1.00 0.00 H new ATOM 0 HB3 TYR A 60 22.357 8.479 -25.853 1.00 0.00 H new ATOM 0 HD1 TYR A 60 25.034 9.067 -23.319 1.00 0.00 H new ATOM 0 HD2 TYR A 60 22.004 10.826 -25.743 1.00 0.00 H new ATOM 0 HE1 TYR A 60 25.860 11.305 -22.728 1.00 0.00 H new ATOM 0 HE2 TYR A 60 22.831 13.062 -25.159 1.00 0.00 H new ATOM 0 HH TYR A 60 24.171 14.238 -23.785 1.00 0.00 H new ATOM 932 N ASN A 61 23.776 6.550 -22.542 1.00 0.00 N ATOM 933 CA ASN A 61 24.598 6.276 -21.367 1.00 0.00 C ATOM 934 C ASN A 61 23.719 5.928 -20.170 1.00 0.00 C ATOM 935 O ASN A 61 23.938 6.414 -19.059 1.00 0.00 O ATOM 936 CB ASN A 61 25.484 7.480 -21.036 1.00 0.00 C ATOM 937 CG ASN A 61 26.629 7.643 -22.016 1.00 0.00 C ATOM 938 OD1 ASN A 61 26.819 6.819 -22.911 1.00 0.00 O ATOM 939 ND2 ASN A 61 27.399 8.713 -21.853 1.00 0.00 N ATOM 0 H ASN A 61 23.915 5.899 -23.315 1.00 0.00 H new ATOM 0 HA ASN A 61 25.239 5.423 -21.591 1.00 0.00 H new ATOM 0 HB2 ASN A 61 24.877 8.385 -21.037 1.00 0.00 H new ATOM 0 HB3 ASN A 61 25.885 7.366 -20.029 1.00 0.00 H new ATOM 0 HD21 ASN A 61 28.184 8.877 -22.483 1.00 0.00 H new ATOM 0 HD22 ASN A 61 27.205 9.370 -21.098 1.00 0.00 H new ATOM 946 N SER A 62 22.719 5.089 -20.409 1.00 0.00 N ATOM 947 CA SER A 62 21.807 4.672 -19.353 1.00 0.00 C ATOM 948 C SER A 62 22.525 3.778 -18.352 1.00 0.00 C ATOM 949 O SER A 62 23.294 2.893 -18.727 1.00 0.00 O ATOM 950 CB SER A 62 20.594 3.948 -19.941 1.00 0.00 C ATOM 951 OG SER A 62 19.694 4.865 -20.539 1.00 0.00 O ATOM 0 H SER A 62 22.520 4.685 -21.324 1.00 0.00 H new ATOM 0 HA SER A 62 21.456 5.563 -18.833 1.00 0.00 H new ATOM 0 HB2 SER A 62 20.925 3.221 -20.683 1.00 0.00 H new ATOM 0 HB3 SER A 62 20.083 3.391 -19.156 1.00 0.00 H new ATOM 0 HG SER A 62 19.468 4.560 -21.442 1.00 0.00 H new ATOM 957 N ALA A 63 22.264 4.017 -17.074 1.00 0.00 N ATOM 958 CA ALA A 63 22.881 3.238 -16.010 1.00 0.00 C ATOM 959 C ALA A 63 21.914 2.995 -14.861 1.00 0.00 C ATOM 960 O ALA A 63 20.999 3.784 -14.627 1.00 0.00 O ATOM 961 CB ALA A 63 24.131 3.940 -15.503 1.00 0.00 C ATOM 0 H ALA A 63 21.628 4.745 -16.749 1.00 0.00 H new ATOM 0 HA ALA A 63 23.156 2.268 -16.425 1.00 0.00 H new ATOM 0 HB1 ALA A 63 24.584 3.348 -14.708 1.00 0.00 H new ATOM 0 HB2 ALA A 63 24.842 4.052 -16.321 1.00 0.00 H new ATOM 0 HB3 ALA A 63 23.864 4.924 -15.116 1.00 0.00 H new ATOM 967 N ILE A 64 22.125 1.900 -14.141 1.00 0.00 N ATOM 968 CA ILE A 64 21.272 1.562 -13.017 1.00 0.00 C ATOM 969 C ILE A 64 22.083 1.248 -11.765 1.00 0.00 C ATOM 970 O ILE A 64 23.120 0.587 -11.824 1.00 0.00 O ATOM 971 CB ILE A 64 20.348 0.376 -13.354 1.00 0.00 C ATOM 972 CG1 ILE A 64 19.314 0.826 -14.386 1.00 0.00 C ATOM 973 CG2 ILE A 64 19.658 -0.154 -12.100 1.00 0.00 C ATOM 974 CD1 ILE A 64 18.285 -0.225 -14.717 1.00 0.00 C ATOM 0 H ILE A 64 22.878 1.235 -14.317 1.00 0.00 H new ATOM 0 HA ILE A 64 20.658 2.439 -12.814 1.00 0.00 H new ATOM 0 HB ILE A 64 20.947 -0.436 -13.767 1.00 0.00 H new ATOM 0 HG12 ILE A 64 18.805 1.714 -14.012 1.00 0.00 H new ATOM 0 HG13 ILE A 64 19.830 1.116 -15.301 1.00 0.00 H new ATOM 0 HG21 ILE A 64 19.012 -0.991 -12.366 1.00 0.00 H new ATOM 0 HG22 ILE A 64 20.410 -0.489 -11.385 1.00 0.00 H new ATOM 0 HG23 ILE A 64 19.059 0.639 -11.652 1.00 0.00 H new ATOM 0 HD11 ILE A 64 17.587 0.169 -15.456 1.00 0.00 H new ATOM 0 HD12 ILE A 64 18.782 -1.106 -15.122 1.00 0.00 H new ATOM 0 HD13 ILE A 64 17.741 -0.499 -13.813 1.00 0.00 H new ATOM 986 N GLN A 65 21.575 1.712 -10.633 1.00 0.00 N ATOM 987 CA GLN A 65 22.206 1.482 -9.342 1.00 0.00 C ATOM 988 C GLN A 65 21.134 1.101 -8.334 1.00 0.00 C ATOM 989 O GLN A 65 20.313 1.931 -7.943 1.00 0.00 O ATOM 990 CB GLN A 65 22.954 2.733 -8.876 1.00 0.00 C ATOM 991 CG GLN A 65 24.258 2.978 -9.621 1.00 0.00 C ATOM 992 CD GLN A 65 25.061 4.122 -9.032 1.00 0.00 C ATOM 993 OE1 GLN A 65 25.899 3.919 -8.155 1.00 0.00 O ATOM 994 NE2 GLN A 65 24.807 5.333 -9.514 1.00 0.00 N ATOM 0 H GLN A 65 20.715 2.258 -10.583 1.00 0.00 H new ATOM 0 HA GLN A 65 22.931 0.673 -9.432 1.00 0.00 H new ATOM 0 HB2 GLN A 65 22.306 3.601 -9.000 1.00 0.00 H new ATOM 0 HB3 GLN A 65 23.166 2.643 -7.811 1.00 0.00 H new ATOM 0 HG2 GLN A 65 24.859 2.069 -9.601 1.00 0.00 H new ATOM 0 HG3 GLN A 65 24.040 3.193 -10.667 1.00 0.00 H new ATOM 0 HE21 GLN A 65 24.103 5.455 -10.242 1.00 0.00 H new ATOM 0 HE22 GLN A 65 25.316 6.141 -9.156 1.00 0.00 H new ATOM 1003 N GLY A 66 21.126 -0.166 -7.939 1.00 0.00 N ATOM 1004 CA GLY A 66 20.124 -0.637 -7.005 1.00 0.00 C ATOM 1005 C GLY A 66 18.744 -0.636 -7.633 1.00 0.00 C ATOM 1006 O GLY A 66 18.517 -1.311 -8.637 1.00 0.00 O ATOM 0 H GLY A 66 21.793 -0.873 -8.248 1.00 0.00 H new ATOM 0 HA2 GLY A 66 20.376 -1.645 -6.676 1.00 0.00 H new ATOM 0 HA3 GLY A 66 20.123 -0.003 -6.118 1.00 0.00 H new ATOM 1010 N SER A 67 17.814 0.106 -7.040 1.00 0.00 N ATOM 1011 CA SER A 67 16.452 0.164 -7.556 1.00 0.00 C ATOM 1012 C SER A 67 16.186 1.443 -8.349 1.00 0.00 C ATOM 1013 O SER A 67 15.105 1.607 -8.914 1.00 0.00 O ATOM 1014 CB SER A 67 15.450 0.057 -6.405 1.00 0.00 C ATOM 1015 OG SER A 67 15.296 1.301 -5.745 1.00 0.00 O ATOM 0 H SER A 67 17.977 0.672 -6.207 1.00 0.00 H new ATOM 0 HA SER A 67 16.330 -0.679 -8.237 1.00 0.00 H new ATOM 0 HB2 SER A 67 14.486 -0.277 -6.788 1.00 0.00 H new ATOM 0 HB3 SER A 67 15.788 -0.696 -5.693 1.00 0.00 H new ATOM 0 HG SER A 67 14.630 1.842 -6.218 1.00 0.00 H new ATOM 1021 N VAL A 68 17.164 2.344 -8.403 1.00 0.00 N ATOM 1022 CA VAL A 68 16.997 3.597 -9.139 1.00 0.00 C ATOM 1023 C VAL A 68 17.699 3.555 -10.495 1.00 0.00 C ATOM 1024 O VAL A 68 18.809 3.033 -10.619 1.00 0.00 O ATOM 1025 CB VAL A 68 17.528 4.804 -8.342 1.00 0.00 C ATOM 1026 CG1 VAL A 68 17.024 6.102 -8.953 1.00 0.00 C ATOM 1027 CG2 VAL A 68 17.119 4.705 -6.880 1.00 0.00 C ATOM 0 H VAL A 68 18.072 2.233 -7.951 1.00 0.00 H new ATOM 0 HA VAL A 68 15.925 3.715 -9.294 1.00 0.00 H new ATOM 0 HB VAL A 68 18.617 4.798 -8.390 1.00 0.00 H new ATOM 0 HG11 VAL A 68 17.407 6.947 -8.380 1.00 0.00 H new ATOM 0 HG12 VAL A 68 17.369 6.177 -9.984 1.00 0.00 H new ATOM 0 HG13 VAL A 68 15.934 6.114 -8.933 1.00 0.00 H new ATOM 0 HG21 VAL A 68 17.504 5.567 -6.335 1.00 0.00 H new ATOM 0 HG22 VAL A 68 16.032 4.686 -6.807 1.00 0.00 H new ATOM 0 HG23 VAL A 68 17.528 3.791 -6.449 1.00 0.00 H new ATOM 1037 N LEU A 69 17.042 4.103 -11.511 1.00 0.00 N ATOM 1038 CA LEU A 69 17.594 4.134 -12.859 1.00 0.00 C ATOM 1039 C LEU A 69 18.179 5.514 -13.162 1.00 0.00 C ATOM 1040 O LEU A 69 17.494 6.532 -13.033 1.00 0.00 O ATOM 1041 CB LEU A 69 16.499 3.770 -13.874 1.00 0.00 C ATOM 1042 CG LEU A 69 16.779 4.147 -15.332 1.00 0.00 C ATOM 1043 CD1 LEU A 69 18.110 3.573 -15.791 1.00 0.00 C ATOM 1044 CD2 LEU A 69 15.649 3.659 -16.226 1.00 0.00 C ATOM 0 H LEU A 69 16.121 4.534 -11.425 1.00 0.00 H new ATOM 0 HA LEU A 69 18.399 3.403 -12.935 1.00 0.00 H new ATOM 0 HB2 LEU A 69 16.329 2.694 -13.824 1.00 0.00 H new ATOM 0 HB3 LEU A 69 15.572 4.254 -13.567 1.00 0.00 H new ATOM 0 HG LEU A 69 16.837 5.233 -15.404 1.00 0.00 H new ATOM 0 HD11 LEU A 69 18.288 3.853 -16.829 1.00 0.00 H new ATOM 0 HD12 LEU A 69 18.911 3.967 -15.166 1.00 0.00 H new ATOM 0 HD13 LEU A 69 18.086 2.486 -15.707 1.00 0.00 H new ATOM 0 HD21 LEU A 69 15.859 3.933 -17.260 1.00 0.00 H new ATOM 0 HD22 LEU A 69 15.565 2.575 -16.147 1.00 0.00 H new ATOM 0 HD23 LEU A 69 14.712 4.119 -15.912 1.00 0.00 H new ATOM 1056 N THR A 70 19.449 5.550 -13.559 1.00 0.00 N ATOM 1057 CA THR A 70 20.116 6.806 -13.878 1.00 0.00 C ATOM 1058 C THR A 70 20.489 6.829 -15.354 1.00 0.00 C ATOM 1059 O THR A 70 21.172 5.931 -15.840 1.00 0.00 O ATOM 1060 CB THR A 70 21.372 6.972 -13.018 1.00 0.00 C ATOM 1061 OG1 THR A 70 21.125 6.557 -11.686 1.00 0.00 O ATOM 1062 CG2 THR A 70 21.885 8.394 -12.968 1.00 0.00 C ATOM 0 H THR A 70 20.035 4.722 -13.667 1.00 0.00 H new ATOM 0 HA THR A 70 19.436 7.632 -13.667 1.00 0.00 H new ATOM 0 HB THR A 70 22.130 6.349 -13.494 1.00 0.00 H new ATOM 0 HG1 THR A 70 21.939 6.669 -11.152 1.00 0.00 H new ATOM 0 HG21 THR A 70 22.776 8.438 -12.341 1.00 0.00 H new ATOM 0 HG22 THR A 70 22.133 8.727 -13.976 1.00 0.00 H new ATOM 0 HG23 THR A 70 21.116 9.044 -12.551 1.00 0.00 H new ATOM 1070 N SER A 71 20.024 7.840 -16.073 1.00 0.00 N ATOM 1071 CA SER A 71 20.305 7.939 -17.502 1.00 0.00 C ATOM 1072 C SER A 71 20.308 9.389 -17.969 1.00 0.00 C ATOM 1073 O SER A 71 19.641 10.240 -17.377 1.00 0.00 O ATOM 1074 CB SER A 71 19.281 7.127 -18.298 1.00 0.00 C ATOM 1075 OG SER A 71 19.256 7.525 -19.658 1.00 0.00 O ATOM 0 H SER A 71 19.455 8.598 -15.697 1.00 0.00 H new ATOM 0 HA SER A 71 21.300 7.530 -17.678 1.00 0.00 H new ATOM 0 HB2 SER A 71 19.523 6.066 -18.231 1.00 0.00 H new ATOM 0 HB3 SER A 71 18.291 7.256 -17.860 1.00 0.00 H new ATOM 0 HG SER A 71 19.395 6.742 -20.231 1.00 0.00 H new ATOM 1081 N THR A 72 21.043 9.669 -19.044 1.00 0.00 N ATOM 1082 CA THR A 72 21.094 11.016 -19.591 1.00 0.00 C ATOM 1083 C THR A 72 20.056 11.148 -20.700 1.00 0.00 C ATOM 1084 O THR A 72 20.028 10.344 -21.631 1.00 0.00 O ATOM 1085 CB THR A 72 22.493 11.318 -20.133 1.00 0.00 C ATOM 1086 OG1 THR A 72 23.488 10.876 -19.225 1.00 0.00 O ATOM 1087 CG2 THR A 72 22.734 12.788 -20.399 1.00 0.00 C ATOM 0 H THR A 72 21.606 8.984 -19.548 1.00 0.00 H new ATOM 0 HA THR A 72 20.872 11.734 -18.802 1.00 0.00 H new ATOM 0 HB THR A 72 22.554 10.783 -21.081 1.00 0.00 H new ATOM 0 HG1 THR A 72 24.375 11.076 -19.589 1.00 0.00 H new ATOM 0 HG21 THR A 72 23.745 12.928 -20.781 1.00 0.00 H new ATOM 0 HG22 THR A 72 22.015 13.147 -21.135 1.00 0.00 H new ATOM 0 HG23 THR A 72 22.616 13.350 -19.472 1.00 0.00 H new ATOM 1095 N CYS A 73 19.186 12.144 -20.592 1.00 0.00 N ATOM 1096 CA CYS A 73 18.138 12.323 -21.587 1.00 0.00 C ATOM 1097 C CYS A 73 18.126 13.722 -22.184 1.00 0.00 C ATOM 1098 O CYS A 73 18.342 14.716 -21.493 1.00 0.00 O ATOM 1099 CB CYS A 73 16.772 12.020 -20.973 1.00 0.00 C ATOM 1100 SG CYS A 73 16.557 10.288 -20.456 1.00 0.00 S ATOM 0 H CYS A 73 19.184 12.830 -19.838 1.00 0.00 H new ATOM 0 HA CYS A 73 18.351 11.624 -22.396 1.00 0.00 H new ATOM 0 HB2 CYS A 73 16.623 12.667 -20.109 1.00 0.00 H new ATOM 0 HB3 CYS A 73 15.997 12.271 -21.697 1.00 0.00 H new ATOM 1105 N GLU A 74 17.811 13.778 -23.472 1.00 0.00 N ATOM 1106 CA GLU A 74 17.715 15.039 -24.197 1.00 0.00 C ATOM 1107 C GLU A 74 16.441 15.790 -23.811 1.00 0.00 C ATOM 1108 O GLU A 74 15.370 15.190 -23.707 1.00 0.00 O ATOM 1109 CB GLU A 74 17.732 14.779 -25.706 1.00 0.00 C ATOM 1110 CG GLU A 74 18.221 15.961 -26.528 1.00 0.00 C ATOM 1111 CD GLU A 74 17.830 15.857 -27.990 1.00 0.00 C ATOM 1112 OE1 GLU A 74 17.510 14.737 -28.441 1.00 0.00 O ATOM 1113 OE2 GLU A 74 17.846 16.895 -28.684 1.00 0.00 O ATOM 0 H GLU A 74 17.616 12.955 -24.041 1.00 0.00 H new ATOM 0 HA GLU A 74 18.573 15.656 -23.930 1.00 0.00 H new ATOM 0 HB2 GLU A 74 18.369 13.919 -25.910 1.00 0.00 H new ATOM 0 HB3 GLU A 74 16.726 14.514 -26.031 1.00 0.00 H new ATOM 0 HG2 GLU A 74 17.813 16.882 -26.111 1.00 0.00 H new ATOM 0 HG3 GLU A 74 19.306 16.029 -26.450 1.00 0.00 H new ATOM 1120 N ARG A 75 16.555 17.098 -23.605 1.00 0.00 N ATOM 1121 CA ARG A 75 15.400 17.912 -23.239 1.00 0.00 C ATOM 1122 C ARG A 75 14.741 18.494 -24.484 1.00 0.00 C ATOM 1123 O ARG A 75 15.418 18.833 -25.453 1.00 0.00 O ATOM 1124 CB ARG A 75 15.814 19.042 -22.296 1.00 0.00 C ATOM 1125 CG ARG A 75 16.690 18.587 -21.141 1.00 0.00 C ATOM 1126 CD ARG A 75 16.905 19.704 -20.132 1.00 0.00 C ATOM 1127 NE ARG A 75 15.664 20.076 -19.455 1.00 0.00 N ATOM 1128 CZ ARG A 75 14.811 20.994 -19.910 1.00 0.00 C ATOM 1129 NH1 ARG A 75 15.058 21.638 -21.045 1.00 0.00 N ATOM 1130 NH2 ARG A 75 13.707 21.267 -19.228 1.00 0.00 N ATOM 0 H ARG A 75 17.430 17.615 -23.685 1.00 0.00 H new ATOM 0 HA ARG A 75 14.683 17.271 -22.726 1.00 0.00 H new ATOM 0 HB2 ARG A 75 16.347 19.802 -22.867 1.00 0.00 H new ATOM 0 HB3 ARG A 75 14.917 19.515 -21.895 1.00 0.00 H new ATOM 0 HG2 ARG A 75 16.228 17.733 -20.647 1.00 0.00 H new ATOM 0 HG3 ARG A 75 17.653 18.251 -21.524 1.00 0.00 H new ATOM 0 HD2 ARG A 75 17.641 19.388 -19.393 1.00 0.00 H new ATOM 0 HD3 ARG A 75 17.317 20.576 -20.639 1.00 0.00 H new ATOM 0 HE ARG A 75 15.437 19.604 -18.580 1.00 0.00 H new ATOM 0 HH11 ARG A 75 15.905 21.431 -21.575 1.00 0.00 H new ATOM 0 HH12 ARG A 75 14.401 22.339 -21.387 1.00 0.00 H new ATOM 0 HH21 ARG A 75 13.511 20.775 -18.356 1.00 0.00 H new ATOM 0 HH22 ARG A 75 13.054 21.969 -19.575 1.00 0.00 H new ATOM 1144 N THR A 76 13.415 18.596 -24.459 1.00 0.00 N ATOM 1145 CA THR A 76 12.663 19.124 -25.594 1.00 0.00 C ATOM 1146 C THR A 76 13.204 20.479 -26.051 1.00 0.00 C ATOM 1147 O THR A 76 13.067 20.846 -27.218 1.00 0.00 O ATOM 1148 CB THR A 76 11.185 19.255 -25.222 1.00 0.00 C ATOM 1149 OG1 THR A 76 10.678 18.020 -24.747 1.00 0.00 O ATOM 1150 CG2 THR A 76 10.311 19.696 -26.377 1.00 0.00 C ATOM 0 H THR A 76 12.838 18.320 -23.664 1.00 0.00 H new ATOM 0 HA THR A 76 12.775 18.424 -26.422 1.00 0.00 H new ATOM 0 HB THR A 76 11.149 20.023 -24.449 1.00 0.00 H new ATOM 0 HG1 THR A 76 9.961 18.188 -24.101 1.00 0.00 H new ATOM 0 HG21 THR A 76 9.276 19.768 -26.043 1.00 0.00 H new ATOM 0 HG22 THR A 76 10.646 20.670 -26.735 1.00 0.00 H new ATOM 0 HG23 THR A 76 10.381 18.968 -27.185 1.00 0.00 H new ATOM 1158 N ASN A 77 13.812 21.220 -25.130 1.00 0.00 N ATOM 1159 CA ASN A 77 14.366 22.531 -25.454 1.00 0.00 C ATOM 1160 C ASN A 77 15.766 22.418 -26.060 1.00 0.00 C ATOM 1161 O ASN A 77 16.404 23.428 -26.357 1.00 0.00 O ATOM 1162 CB ASN A 77 14.411 23.415 -24.205 1.00 0.00 C ATOM 1163 CG ASN A 77 13.123 24.187 -23.995 1.00 0.00 C ATOM 1164 OD1 ASN A 77 12.041 23.722 -24.353 1.00 0.00 O ATOM 1165 ND2 ASN A 77 13.234 25.376 -23.413 1.00 0.00 N ATOM 0 H ASN A 77 13.934 20.937 -24.158 1.00 0.00 H new ATOM 0 HA ASN A 77 13.712 22.988 -26.197 1.00 0.00 H new ATOM 0 HB2 ASN A 77 14.605 22.794 -23.331 1.00 0.00 H new ATOM 0 HB3 ASN A 77 15.242 24.116 -24.289 1.00 0.00 H new ATOM 0 HD21 ASN A 77 12.402 25.942 -23.247 1.00 0.00 H new ATOM 0 HD22 ASN A 77 14.151 25.723 -23.132 1.00 0.00 H new ATOM 1172 N GLY A 78 16.239 21.188 -26.245 1.00 0.00 N ATOM 1173 CA GLY A 78 17.556 20.975 -26.816 1.00 0.00 C ATOM 1174 C GLY A 78 18.637 20.870 -25.765 1.00 0.00 C ATOM 1175 O GLY A 78 18.658 21.629 -24.796 1.00 0.00 O ATOM 0 H GLY A 78 15.732 20.335 -26.009 1.00 0.00 H new ATOM 0 HA2 GLY A 78 17.546 20.063 -27.413 1.00 0.00 H new ATOM 0 HA3 GLY A 78 17.791 21.796 -27.493 1.00 0.00 H new ATOM 1179 N GLY A 79 19.514 19.904 -25.953 1.00 0.00 N ATOM 1180 CA GLY A 79 20.592 19.667 -25.010 1.00 0.00 C ATOM 1181 C GLY A 79 20.455 18.311 -24.347 1.00 0.00 C ATOM 1182 O GLY A 79 19.641 17.499 -24.780 1.00 0.00 O ATOM 0 H GLY A 79 19.502 19.269 -26.751 1.00 0.00 H new ATOM 0 HA2 GLY A 79 21.550 19.726 -25.527 1.00 0.00 H new ATOM 0 HA3 GLY A 79 20.591 20.448 -24.250 1.00 0.00 H new ATOM 1186 N TYR A 80 21.252 18.055 -23.311 1.00 0.00 N ATOM 1187 CA TYR A 80 21.197 16.770 -22.609 1.00 0.00 C ATOM 1188 C TYR A 80 21.085 16.972 -21.099 1.00 0.00 C ATOM 1189 O TYR A 80 21.690 17.884 -20.536 1.00 0.00 O ATOM 1190 CB TYR A 80 22.443 15.937 -22.924 1.00 0.00 C ATOM 1191 CG TYR A 80 22.757 15.841 -24.401 1.00 0.00 C ATOM 1192 CD1 TYR A 80 21.752 15.617 -25.332 1.00 0.00 C ATOM 1193 CD2 TYR A 80 24.060 15.973 -24.862 1.00 0.00 C ATOM 1194 CE1 TYR A 80 22.036 15.529 -26.682 1.00 0.00 C ATOM 1195 CE2 TYR A 80 24.352 15.887 -26.209 1.00 0.00 C ATOM 1196 CZ TYR A 80 23.336 15.665 -27.115 1.00 0.00 C ATOM 1197 OH TYR A 80 23.622 15.576 -28.458 1.00 0.00 O ATOM 0 H TYR A 80 21.938 18.712 -22.940 1.00 0.00 H new ATOM 0 HA TYR A 80 20.310 16.239 -22.955 1.00 0.00 H new ATOM 0 HB2 TYR A 80 23.299 16.372 -22.408 1.00 0.00 H new ATOM 0 HB3 TYR A 80 22.307 14.932 -22.525 1.00 0.00 H new ATOM 0 HD1 TYR A 80 20.731 15.510 -24.996 1.00 0.00 H new ATOM 0 HD2 TYR A 80 24.858 16.146 -24.155 1.00 0.00 H new ATOM 0 HE1 TYR A 80 21.242 15.354 -27.393 1.00 0.00 H new ATOM 0 HE2 TYR A 80 25.371 15.993 -26.551 1.00 0.00 H new ATOM 0 HH TYR A 80 24.585 15.695 -28.596 1.00 0.00 H new ATOM 1207 N ASN A 81 20.297 16.116 -20.450 1.00 0.00 N ATOM 1208 CA ASN A 81 20.094 16.195 -19.006 1.00 0.00 C ATOM 1209 C ASN A 81 19.729 14.819 -18.448 1.00 0.00 C ATOM 1210 O ASN A 81 18.829 14.152 -18.958 1.00 0.00 O ATOM 1211 CB ASN A 81 18.991 17.206 -18.680 1.00 0.00 C ATOM 1212 CG ASN A 81 18.976 17.600 -17.216 1.00 0.00 C ATOM 1213 OD1 ASN A 81 19.042 16.747 -16.331 1.00 0.00 O ATOM 1214 ND2 ASN A 81 18.887 18.900 -16.953 1.00 0.00 N ATOM 0 H ASN A 81 19.788 15.358 -20.904 1.00 0.00 H new ATOM 0 HA ASN A 81 21.022 16.528 -18.541 1.00 0.00 H new ATOM 0 HB2 ASN A 81 19.129 18.098 -19.291 1.00 0.00 H new ATOM 0 HB3 ASN A 81 18.023 16.782 -18.948 1.00 0.00 H new ATOM 0 HD21 ASN A 81 18.871 19.225 -15.986 1.00 0.00 H new ATOM 0 HD22 ASN A 81 18.834 19.573 -17.718 1.00 0.00 H new ATOM 1221 N THR A 82 20.444 14.395 -17.411 1.00 0.00 N ATOM 1222 CA THR A 82 20.212 13.091 -16.788 1.00 0.00 C ATOM 1223 C THR A 82 19.245 13.194 -15.613 1.00 0.00 C ATOM 1224 O THR A 82 19.365 14.088 -14.775 1.00 0.00 O ATOM 1225 CB THR A 82 21.532 12.467 -16.333 1.00 0.00 C ATOM 1226 OG1 THR A 82 21.297 11.339 -15.508 1.00 0.00 O ATOM 1227 CG2 THR A 82 22.412 13.424 -15.561 1.00 0.00 C ATOM 0 H THR A 82 21.193 14.937 -16.980 1.00 0.00 H new ATOM 0 HA THR A 82 19.758 12.446 -17.540 1.00 0.00 H new ATOM 0 HB THR A 82 22.048 12.184 -17.251 1.00 0.00 H new ATOM 0 HG1 THR A 82 20.578 10.796 -15.894 1.00 0.00 H new ATOM 0 HG21 THR A 82 23.332 12.917 -15.269 1.00 0.00 H new ATOM 0 HG22 THR A 82 22.654 14.282 -16.188 1.00 0.00 H new ATOM 0 HG23 THR A 82 21.885 13.764 -14.669 1.00 0.00 H new ATOM 1235 N SER A 83 18.286 12.270 -15.558 1.00 0.00 N ATOM 1236 CA SER A 83 17.294 12.243 -14.491 1.00 0.00 C ATOM 1237 C SER A 83 17.323 10.894 -13.768 1.00 0.00 C ATOM 1238 O SER A 83 17.799 9.895 -14.314 1.00 0.00 O ATOM 1239 CB SER A 83 15.897 12.505 -15.060 1.00 0.00 C ATOM 1240 OG SER A 83 15.394 11.358 -15.723 1.00 0.00 O ATOM 0 H SER A 83 18.178 11.526 -16.247 1.00 0.00 H new ATOM 0 HA SER A 83 17.535 13.028 -13.774 1.00 0.00 H new ATOM 0 HB2 SER A 83 15.220 12.790 -14.254 1.00 0.00 H new ATOM 0 HB3 SER A 83 15.935 13.344 -15.755 1.00 0.00 H new ATOM 0 HG SER A 83 15.214 11.575 -16.662 1.00 0.00 H new ATOM 1246 N SER A 84 16.821 10.872 -12.538 1.00 0.00 N ATOM 1247 CA SER A 84 16.800 9.647 -11.748 1.00 0.00 C ATOM 1248 C SER A 84 15.379 9.294 -11.314 1.00 0.00 C ATOM 1249 O SER A 84 14.564 10.175 -11.042 1.00 0.00 O ATOM 1250 CB SER A 84 17.701 9.792 -10.519 1.00 0.00 C ATOM 1251 OG SER A 84 18.992 10.251 -10.881 1.00 0.00 O ATOM 0 H SER A 84 16.424 11.686 -12.068 1.00 0.00 H new ATOM 0 HA SER A 84 17.176 8.838 -12.374 1.00 0.00 H new ATOM 0 HB2 SER A 84 17.249 10.489 -9.814 1.00 0.00 H new ATOM 0 HB3 SER A 84 17.783 8.832 -10.010 1.00 0.00 H new ATOM 0 HG SER A 84 19.546 10.336 -10.077 1.00 0.00 H new ATOM 1257 N ILE A 85 15.092 7.995 -11.246 1.00 0.00 N ATOM 1258 CA ILE A 85 13.769 7.522 -10.843 1.00 0.00 C ATOM 1259 C ILE A 85 13.850 6.220 -10.043 1.00 0.00 C ATOM 1260 O ILE A 85 14.678 5.357 -10.333 1.00 0.00 O ATOM 1261 CB ILE A 85 12.861 7.301 -12.070 1.00 0.00 C ATOM 1262 CG1 ILE A 85 11.432 6.985 -11.624 1.00 0.00 C ATOM 1263 CG2 ILE A 85 13.412 6.184 -12.943 1.00 0.00 C ATOM 1264 CD1 ILE A 85 10.484 6.713 -12.773 1.00 0.00 C ATOM 0 H ILE A 85 15.757 7.253 -11.464 1.00 0.00 H new ATOM 0 HA ILE A 85 13.341 8.298 -10.208 1.00 0.00 H new ATOM 0 HB ILE A 85 12.841 8.218 -12.660 1.00 0.00 H new ATOM 0 HG12 ILE A 85 11.450 6.117 -10.965 1.00 0.00 H new ATOM 0 HG13 ILE A 85 11.050 7.821 -11.039 1.00 0.00 H new ATOM 0 HG21 ILE A 85 12.760 6.040 -13.805 1.00 0.00 H new ATOM 0 HG22 ILE A 85 14.412 6.449 -13.285 1.00 0.00 H new ATOM 0 HG23 ILE A 85 13.459 5.261 -12.366 1.00 0.00 H new ATOM 0 HD11 ILE A 85 9.490 6.497 -12.381 1.00 0.00 H new ATOM 0 HD12 ILE A 85 10.436 7.589 -13.420 1.00 0.00 H new ATOM 0 HD13 ILE A 85 10.842 5.858 -13.346 1.00 0.00 H new ATOM 1276 N ASP A 86 12.970 6.082 -9.049 1.00 0.00 N ATOM 1277 CA ASP A 86 12.925 4.881 -8.212 1.00 0.00 C ATOM 1278 C ASP A 86 11.849 3.912 -8.711 1.00 0.00 C ATOM 1279 O ASP A 86 10.662 4.237 -8.706 1.00 0.00 O ATOM 1280 CB ASP A 86 12.644 5.261 -6.757 1.00 0.00 C ATOM 1281 CG ASP A 86 13.007 4.150 -5.791 1.00 0.00 C ATOM 1282 OD1 ASP A 86 14.210 3.837 -5.674 1.00 0.00 O ATOM 1283 OD2 ASP A 86 12.089 3.593 -5.153 1.00 0.00 O ATOM 0 H ASP A 86 12.277 6.789 -8.804 1.00 0.00 H new ATOM 0 HA ASP A 86 13.895 4.387 -8.273 1.00 0.00 H new ATOM 0 HB2 ASP A 86 13.208 6.159 -6.503 1.00 0.00 H new ATOM 0 HB3 ASP A 86 11.588 5.506 -6.645 1.00 0.00 H new ATOM 1288 N LEU A 87 12.274 2.729 -9.153 1.00 0.00 N ATOM 1289 CA LEU A 87 11.342 1.723 -9.678 1.00 0.00 C ATOM 1290 C LEU A 87 10.955 0.663 -8.644 1.00 0.00 C ATOM 1291 O LEU A 87 10.132 -0.206 -8.930 1.00 0.00 O ATOM 1292 CB LEU A 87 11.931 1.052 -10.917 1.00 0.00 C ATOM 1293 CG LEU A 87 12.641 2.003 -11.879 1.00 0.00 C ATOM 1294 CD1 LEU A 87 13.425 1.225 -12.923 1.00 0.00 C ATOM 1295 CD2 LEU A 87 11.634 2.929 -12.545 1.00 0.00 C ATOM 0 H LEU A 87 13.253 2.441 -9.160 1.00 0.00 H new ATOM 0 HA LEU A 87 10.428 2.255 -9.942 1.00 0.00 H new ATOM 0 HB2 LEU A 87 12.637 0.285 -10.598 1.00 0.00 H new ATOM 0 HB3 LEU A 87 11.130 0.544 -11.454 1.00 0.00 H new ATOM 0 HG LEU A 87 13.345 2.609 -11.309 1.00 0.00 H new ATOM 0 HD11 LEU A 87 13.923 1.921 -13.598 1.00 0.00 H new ATOM 0 HD12 LEU A 87 14.171 0.603 -12.429 1.00 0.00 H new ATOM 0 HD13 LEU A 87 12.744 0.592 -13.492 1.00 0.00 H new ATOM 0 HD21 LEU A 87 12.154 3.601 -13.228 1.00 0.00 H new ATOM 0 HD22 LEU A 87 10.908 2.337 -13.102 1.00 0.00 H new ATOM 0 HD23 LEU A 87 11.118 3.513 -11.783 1.00 0.00 H new ATOM 1307 N ASN A 88 11.554 0.708 -7.456 1.00 0.00 N ATOM 1308 CA ASN A 88 11.266 -0.283 -6.415 1.00 0.00 C ATOM 1309 C ASN A 88 9.764 -0.543 -6.275 1.00 0.00 C ATOM 1310 O ASN A 88 9.352 -1.630 -5.869 1.00 0.00 O ATOM 1311 CB ASN A 88 11.819 0.213 -5.077 1.00 0.00 C ATOM 1312 CG ASN A 88 11.766 -0.845 -3.994 1.00 0.00 C ATOM 1313 OD1 ASN A 88 12.371 -1.995 -4.264 1.00 0.00 O flip ATOM 1314 ND2 ASN A 88 11.190 -0.631 -2.927 1.00 0.00 N flip ATOM 0 H ASN A 88 12.239 1.415 -7.189 1.00 0.00 H new ATOM 0 HA ASN A 88 11.744 -1.219 -6.703 1.00 0.00 H new ATOM 0 HB2 ASN A 88 12.851 0.537 -5.213 1.00 0.00 H new ATOM 0 HB3 ASN A 88 11.251 1.086 -4.755 1.00 0.00 H new ATOM 0 HD21 ASN A 88 10.738 0.269 -2.763 1.00 0.00 H new ATOM 0 HD22 ASN A 88 11.165 -1.353 -2.207 1.00 0.00 H new ATOM 1321 N SER A 89 8.953 0.453 -6.611 1.00 0.00 N ATOM 1322 CA SER A 89 7.502 0.321 -6.518 1.00 0.00 C ATOM 1323 C SER A 89 6.901 -0.405 -7.726 1.00 0.00 C ATOM 1324 O SER A 89 5.976 -1.204 -7.578 1.00 0.00 O ATOM 1325 CB SER A 89 6.855 1.699 -6.375 1.00 0.00 C ATOM 1326 OG SER A 89 7.626 2.696 -7.023 1.00 0.00 O ATOM 0 H SER A 89 9.274 1.360 -6.950 1.00 0.00 H new ATOM 0 HA SER A 89 7.294 -0.282 -5.634 1.00 0.00 H new ATOM 0 HB2 SER A 89 5.851 1.678 -6.800 1.00 0.00 H new ATOM 0 HB3 SER A 89 6.749 1.946 -5.319 1.00 0.00 H new ATOM 0 HG SER A 89 7.189 3.567 -6.918 1.00 0.00 H new ATOM 1332 N VAL A 90 7.394 -0.092 -8.922 1.00 0.00 N ATOM 1333 CA VAL A 90 6.866 -0.694 -10.145 1.00 0.00 C ATOM 1334 C VAL A 90 7.264 -2.162 -10.319 1.00 0.00 C ATOM 1335 O VAL A 90 6.406 -3.012 -10.557 1.00 0.00 O ATOM 1336 CB VAL A 90 7.276 0.112 -11.402 1.00 0.00 C ATOM 1337 CG1 VAL A 90 7.054 1.596 -11.176 1.00 0.00 C ATOM 1338 CG2 VAL A 90 8.724 -0.152 -11.792 1.00 0.00 C ATOM 0 H VAL A 90 8.154 0.571 -9.071 1.00 0.00 H new ATOM 0 HA VAL A 90 5.782 -0.661 -10.036 1.00 0.00 H new ATOM 0 HB VAL A 90 6.645 -0.220 -12.226 1.00 0.00 H new ATOM 0 HG11 VAL A 90 7.347 2.148 -12.069 1.00 0.00 H new ATOM 0 HG12 VAL A 90 6.000 1.778 -10.966 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.655 1.929 -10.330 1.00 0.00 H new ATOM 0 HG21 VAL A 90 8.974 0.431 -12.678 1.00 0.00 H new ATOM 0 HG22 VAL A 90 9.380 0.136 -10.971 1.00 0.00 H new ATOM 0 HG23 VAL A 90 8.855 -1.213 -12.007 1.00 0.00 H new ATOM 1348 N ILE A 91 8.555 -2.459 -10.228 1.00 0.00 N ATOM 1349 CA ILE A 91 9.022 -3.829 -10.402 1.00 0.00 C ATOM 1350 C ILE A 91 8.889 -4.630 -9.105 1.00 0.00 C ATOM 1351 O ILE A 91 9.005 -4.086 -8.007 1.00 0.00 O ATOM 1352 CB ILE A 91 10.480 -3.871 -10.925 1.00 0.00 C ATOM 1353 CG1 ILE A 91 10.555 -3.255 -12.331 1.00 0.00 C ATOM 1354 CG2 ILE A 91 11.008 -5.300 -10.942 1.00 0.00 C ATOM 1355 CD1 ILE A 91 11.225 -1.896 -12.364 1.00 0.00 C ATOM 0 H ILE A 91 9.290 -1.778 -10.037 1.00 0.00 H new ATOM 0 HA ILE A 91 8.384 -4.294 -11.154 1.00 0.00 H new ATOM 0 HB ILE A 91 11.105 -3.286 -10.250 1.00 0.00 H new ATOM 0 HG12 ILE A 91 11.098 -3.935 -12.988 1.00 0.00 H new ATOM 0 HG13 ILE A 91 9.546 -3.163 -12.732 1.00 0.00 H new ATOM 0 HG21 ILE A 91 12.033 -5.305 -11.313 1.00 0.00 H new ATOM 0 HG22 ILE A 91 10.986 -5.708 -9.932 1.00 0.00 H new ATOM 0 HG23 ILE A 91 10.384 -5.911 -11.594 1.00 0.00 H new ATOM 0 HD11 ILE A 91 11.242 -1.523 -13.388 1.00 0.00 H new ATOM 0 HD12 ILE A 91 10.670 -1.201 -11.734 1.00 0.00 H new ATOM 0 HD13 ILE A 91 12.246 -1.985 -11.993 1.00 0.00 H new ATOM 1367 N GLU A 92 8.624 -5.927 -9.244 1.00 0.00 N ATOM 1368 CA GLU A 92 8.444 -6.810 -8.097 1.00 0.00 C ATOM 1369 C GLU A 92 9.109 -8.155 -8.361 1.00 0.00 C ATOM 1370 O GLU A 92 9.484 -8.445 -9.494 1.00 0.00 O ATOM 1371 CB GLU A 92 6.949 -7.025 -7.841 1.00 0.00 C ATOM 1372 CG GLU A 92 6.619 -7.393 -6.404 1.00 0.00 C ATOM 1373 CD GLU A 92 5.182 -7.072 -6.036 1.00 0.00 C ATOM 1374 OE1 GLU A 92 4.569 -6.226 -6.721 1.00 0.00 O ATOM 1375 OE2 GLU A 92 4.672 -7.666 -5.064 1.00 0.00 O ATOM 0 H GLU A 92 8.529 -6.391 -10.147 1.00 0.00 H new ATOM 0 HA GLU A 92 8.903 -6.349 -7.222 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.410 -6.115 -8.106 1.00 0.00 H new ATOM 0 HB3 GLU A 92 6.587 -7.814 -8.500 1.00 0.00 H new ATOM 0 HG2 GLU A 92 6.800 -8.457 -6.255 1.00 0.00 H new ATOM 0 HG3 GLU A 92 7.291 -6.858 -5.732 1.00 0.00 H new ATOM 1382 N ASN A 93 9.267 -8.979 -7.324 1.00 0.00 N ATOM 1383 CA ASN A 93 9.900 -10.282 -7.489 1.00 0.00 C ATOM 1384 C ASN A 93 8.868 -11.402 -7.393 1.00 0.00 C ATOM 1385 O ASN A 93 8.472 -11.810 -6.301 1.00 0.00 O ATOM 1386 CB ASN A 93 10.981 -10.478 -6.424 1.00 0.00 C ATOM 1387 CG ASN A 93 11.663 -11.830 -6.524 1.00 0.00 C ATOM 1388 OD1 ASN A 93 11.902 -12.338 -7.619 1.00 0.00 O ATOM 1389 ND2 ASN A 93 11.981 -12.420 -5.377 1.00 0.00 N ATOM 0 H ASN A 93 8.968 -8.768 -6.372 1.00 0.00 H new ATOM 0 HA ASN A 93 10.358 -10.318 -8.478 1.00 0.00 H new ATOM 0 HB2 ASN A 93 11.728 -9.691 -6.521 1.00 0.00 H new ATOM 0 HB3 ASN A 93 10.534 -10.373 -5.435 1.00 0.00 H new ATOM 0 HD21 ASN A 93 12.442 -13.330 -5.382 1.00 0.00 H new ATOM 0 HD22 ASN A 93 11.764 -11.963 -4.491 1.00 0.00 H new ATOM 1396 N VAL A 94 8.453 -11.900 -8.550 1.00 0.00 N ATOM 1397 CA VAL A 94 7.480 -12.984 -8.621 1.00 0.00 C ATOM 1398 C VAL A 94 8.173 -14.329 -8.829 1.00 0.00 C ATOM 1399 O VAL A 94 8.514 -14.689 -9.955 1.00 0.00 O ATOM 1400 CB VAL A 94 6.466 -12.746 -9.756 1.00 0.00 C ATOM 1401 CG1 VAL A 94 5.442 -13.871 -9.811 1.00 0.00 C ATOM 1402 CG2 VAL A 94 5.780 -11.401 -9.573 1.00 0.00 C ATOM 0 H VAL A 94 8.777 -11.568 -9.459 1.00 0.00 H new ATOM 0 HA VAL A 94 6.947 -13.004 -7.671 1.00 0.00 H new ATOM 0 HB VAL A 94 7.004 -12.735 -10.704 1.00 0.00 H new ATOM 0 HG11 VAL A 94 4.736 -13.681 -10.620 1.00 0.00 H new ATOM 0 HG12 VAL A 94 5.951 -14.818 -9.988 1.00 0.00 H new ATOM 0 HG13 VAL A 94 4.904 -13.920 -8.864 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.066 -11.244 -10.381 1.00 0.00 H new ATOM 0 HG22 VAL A 94 5.256 -11.387 -8.617 1.00 0.00 H new ATOM 0 HG23 VAL A 94 6.526 -10.607 -9.589 1.00 0.00 H new ATOM 1412 N ASP A 95 8.382 -15.072 -7.744 1.00 0.00 N ATOM 1413 CA ASP A 95 9.035 -16.377 -7.819 1.00 0.00 C ATOM 1414 C ASP A 95 10.375 -16.299 -8.546 1.00 0.00 C ATOM 1415 O ASP A 95 10.771 -17.239 -9.234 1.00 0.00 O ATOM 1416 CB ASP A 95 8.126 -17.397 -8.508 1.00 0.00 C ATOM 1417 CG ASP A 95 8.522 -18.825 -8.183 1.00 0.00 C ATOM 1418 OD1 ASP A 95 9.208 -19.033 -7.158 1.00 0.00 O ATOM 1419 OD2 ASP A 95 8.148 -19.734 -8.954 1.00 0.00 O ATOM 0 H ASP A 95 8.108 -14.792 -6.802 1.00 0.00 H new ATOM 0 HA ASP A 95 9.226 -16.701 -6.796 1.00 0.00 H new ATOM 0 HB2 ASP A 95 7.094 -17.228 -8.200 1.00 0.00 H new ATOM 0 HB3 ASP A 95 8.166 -17.247 -9.587 1.00 0.00 H new ATOM 1424 N GLY A 96 11.071 -15.176 -8.387 1.00 0.00 N ATOM 1425 CA GLY A 96 12.368 -15.009 -9.028 1.00 0.00 C ATOM 1426 C GLY A 96 12.281 -14.323 -10.378 1.00 0.00 C ATOM 1427 O GLY A 96 13.117 -14.555 -11.251 1.00 0.00 O ATOM 0 H GLY A 96 10.763 -14.380 -7.828 1.00 0.00 H new ATOM 0 HA2 GLY A 96 13.018 -14.428 -8.373 1.00 0.00 H new ATOM 0 HA3 GLY A 96 12.833 -15.987 -9.153 1.00 0.00 H new ATOM 1431 N SER A 97 11.268 -13.480 -10.557 1.00 0.00 N ATOM 1432 CA SER A 97 11.089 -12.769 -11.817 1.00 0.00 C ATOM 1433 C SER A 97 10.610 -11.340 -11.583 1.00 0.00 C ATOM 1434 O SER A 97 9.718 -11.098 -10.770 1.00 0.00 O ATOM 1435 CB SER A 97 10.093 -13.511 -12.709 1.00 0.00 C ATOM 1436 OG SER A 97 10.275 -14.913 -12.623 1.00 0.00 O ATOM 0 H SER A 97 10.563 -13.274 -9.849 1.00 0.00 H new ATOM 0 HA SER A 97 12.057 -12.728 -12.316 1.00 0.00 H new ATOM 0 HB2 SER A 97 9.075 -13.255 -12.414 1.00 0.00 H new ATOM 0 HB3 SER A 97 10.216 -13.188 -13.743 1.00 0.00 H new ATOM 0 HG SER A 97 9.833 -15.251 -11.817 1.00 0.00 H new ATOM 1442 N LEU A 98 11.210 -10.397 -12.303 1.00 0.00 N ATOM 1443 CA LEU A 98 10.847 -8.991 -12.176 1.00 0.00 C ATOM 1444 C LEU A 98 9.506 -8.715 -12.848 1.00 0.00 C ATOM 1445 O LEU A 98 9.339 -8.947 -14.045 1.00 0.00 O ATOM 1446 CB LEU A 98 11.929 -8.100 -12.790 1.00 0.00 C ATOM 1447 CG LEU A 98 13.341 -8.322 -12.245 1.00 0.00 C ATOM 1448 CD1 LEU A 98 14.317 -7.343 -12.880 1.00 0.00 C ATOM 1449 CD2 LEU A 98 13.352 -8.184 -10.730 1.00 0.00 C ATOM 0 H LEU A 98 11.950 -10.582 -12.980 1.00 0.00 H new ATOM 0 HA LEU A 98 10.759 -8.761 -11.114 1.00 0.00 H new ATOM 0 HB2 LEU A 98 11.943 -8.263 -13.868 1.00 0.00 H new ATOM 0 HB3 LEU A 98 11.654 -7.058 -12.628 1.00 0.00 H new ATOM 0 HG LEU A 98 13.656 -9.334 -12.501 1.00 0.00 H new ATOM 0 HD11 LEU A 98 15.317 -7.515 -12.481 1.00 0.00 H new ATOM 0 HD12 LEU A 98 14.328 -7.489 -13.960 1.00 0.00 H new ATOM 0 HD13 LEU A 98 14.007 -6.323 -12.655 1.00 0.00 H new ATOM 0 HD21 LEU A 98 14.364 -8.345 -10.357 1.00 0.00 H new ATOM 0 HD22 LEU A 98 13.018 -7.184 -10.453 1.00 0.00 H new ATOM 0 HD23 LEU A 98 12.682 -8.924 -10.292 1.00 0.00 H new ATOM 1461 N LYS A 99 8.548 -8.231 -12.063 1.00 0.00 N ATOM 1462 CA LYS A 99 7.214 -7.934 -12.574 1.00 0.00 C ATOM 1463 C LYS A 99 6.827 -6.485 -12.306 1.00 0.00 C ATOM 1464 O LYS A 99 7.072 -5.956 -11.226 1.00 0.00 O ATOM 1465 CB LYS A 99 6.192 -8.874 -11.932 1.00 0.00 C ATOM 1466 CG LYS A 99 6.137 -10.246 -12.585 1.00 0.00 C ATOM 1467 CD LYS A 99 4.709 -10.672 -12.886 1.00 0.00 C ATOM 1468 CE LYS A 99 4.644 -12.127 -13.324 1.00 0.00 C ATOM 1469 NZ LYS A 99 3.376 -12.435 -14.042 1.00 0.00 N ATOM 0 H LYS A 99 8.671 -8.036 -11.069 1.00 0.00 H new ATOM 0 HA LYS A 99 7.223 -8.086 -13.653 1.00 0.00 H new ATOM 0 HB2 LYS A 99 6.432 -8.992 -10.875 1.00 0.00 H new ATOM 0 HB3 LYS A 99 5.205 -8.415 -11.985 1.00 0.00 H new ATOM 0 HG2 LYS A 99 6.714 -10.232 -13.509 1.00 0.00 H new ATOM 0 HG3 LYS A 99 6.604 -10.980 -11.928 1.00 0.00 H new ATOM 0 HD2 LYS A 99 4.091 -10.529 -12.000 1.00 0.00 H new ATOM 0 HD3 LYS A 99 4.295 -10.036 -13.669 1.00 0.00 H new ATOM 0 HE2 LYS A 99 5.491 -12.349 -13.973 1.00 0.00 H new ATOM 0 HE3 LYS A 99 4.733 -12.773 -12.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 3.371 -13.436 -14.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 2.568 -12.248 -13.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 3.303 -11.837 -14.889 1.00 0.00 H new ATOM 1483 N TYR A 100 6.222 -5.848 -13.304 1.00 0.00 N ATOM 1484 CA TYR A 100 5.797 -4.456 -13.186 1.00 0.00 C ATOM 1485 C TYR A 100 4.451 -4.359 -12.472 1.00 0.00 C ATOM 1486 O TYR A 100 4.154 -3.360 -11.817 1.00 0.00 O ATOM 1487 CB TYR A 100 5.702 -3.819 -14.575 1.00 0.00 C ATOM 1488 CG TYR A 100 5.522 -2.316 -14.554 1.00 0.00 C ATOM 1489 CD1 TYR A 100 4.266 -1.750 -14.381 1.00 0.00 C ATOM 1490 CD2 TYR A 100 6.609 -1.464 -14.713 1.00 0.00 C ATOM 1491 CE1 TYR A 100 4.097 -0.378 -14.365 1.00 0.00 C ATOM 1492 CE2 TYR A 100 6.448 -0.091 -14.699 1.00 0.00 C ATOM 1493 CZ TYR A 100 5.190 0.447 -14.524 1.00 0.00 C ATOM 1494 OH TYR A 100 5.026 1.813 -14.508 1.00 0.00 O ATOM 0 H TYR A 100 6.014 -6.275 -14.207 1.00 0.00 H new ATOM 0 HA TYR A 100 6.538 -3.918 -12.595 1.00 0.00 H new ATOM 0 HB2 TYR A 100 6.606 -4.058 -15.135 1.00 0.00 H new ATOM 0 HB3 TYR A 100 4.866 -4.267 -15.112 1.00 0.00 H new ATOM 0 HD1 TYR A 100 3.407 -2.392 -14.257 1.00 0.00 H new ATOM 0 HD2 TYR A 100 7.596 -1.882 -14.850 1.00 0.00 H new ATOM 0 HE1 TYR A 100 3.113 0.046 -14.229 1.00 0.00 H new ATOM 0 HE2 TYR A 100 7.303 0.557 -14.824 1.00 0.00 H new ATOM 0 HH TYR A 100 5.719 2.232 -15.060 1.00 0.00 H new