USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 558 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 54 CYS SG : rot -141:sc= 0.997 USER MOD Set 1.2: A 74 CYS SG : rot 91:sc= -0.197 USER MOD Set 2.1: A 32 GLN : amide:sc= 1.52 K(o=1,f=-1.6) USER MOD Set 2.2: A 42 THR OG1 : rot -94:sc= -0.467 USER MOD Set 3.1: A 26 LYS NZ :NH3+ -177:sc= 0.597 (180deg=0) USER MOD Set 3.2: A 27 THR OG1 : rot 160:sc= 0.532 USER MOD Set 4.1: A 25 TYR OH : rot -2:sc= 0.843 USER MOD Set 4.2: A 39 ASN : amide:sc= 0.547 K(o=1.3,f=-0.3) USER MOD Set 4.3: A 44 THR OG1 : rot 90:sc= -0.118 USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 14 LYS NZ :NH3+ 176:sc= 1.24 (180deg=1.15) USER MOD Single : A 20 TYR OH : rot 6:sc= 0.851 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0.497 K(o=0.5,f=-0.0072) USER MOD Single : A 38 LYS NZ :NH3+ -176:sc= 1.07 (180deg=0.93) USER MOD Single : A 41 MET CE :methyl -171:sc= -0.065 (180deg=-0.223) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 ASN : amide:sc= -0.353 X(o=-0.35,f=-0.35) USER MOD Single : A 51 ASN : amide:sc= -0.412 K(o=-0.41,f=-2.4!) USER MOD Single : A 55 LYS NZ :NH3+ 161:sc= -0.925 (180deg=-1.91!) USER MOD Single : A 56 THR OG1 : rot -37:sc= 0.453 USER MOD Single : A 59 LYS NZ :NH3+ 138:sc= 3.38 (180deg=-1.01!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.00361 USER MOD Single : A 70 MET CE :methyl -172:sc= 0 (180deg=-0.0947) USER MOD Single : A 71 MET CE :methyl 154:sc= -1.05 (180deg=-4.25!) USER MOD Single : A 72 THR OG1 : rot 1:sc= 0.711 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 70 N ILE A 6 3.651 -11.635 0.939 1.00 0.00 N ATOM 71 CA ILE A 6 2.296 -11.735 1.509 1.00 0.00 C ATOM 72 C ILE A 6 2.081 -10.936 2.784 1.00 0.00 C ATOM 73 O ILE A 6 0.948 -10.559 3.051 1.00 0.00 O ATOM 74 CB ILE A 6 1.877 -13.211 1.729 1.00 0.00 C ATOM 75 CG1 ILE A 6 2.209 -13.782 3.128 1.00 0.00 C ATOM 76 CG2 ILE A 6 2.552 -14.117 0.683 1.00 0.00 C ATOM 77 CD1 ILE A 6 1.194 -13.532 4.260 1.00 0.00 C ATOM 0 HA ILE A 6 1.652 -11.280 0.756 1.00 0.00 H new ATOM 0 HB ILE A 6 0.791 -13.205 1.631 1.00 0.00 H new ATOM 0 HG12 ILE A 6 2.342 -14.859 3.028 1.00 0.00 H new ATOM 0 HG13 ILE A 6 3.169 -13.370 3.440 1.00 0.00 H new ATOM 0 HG21 ILE A 6 2.250 -15.151 0.848 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.250 -13.806 -0.317 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.635 -14.036 0.776 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.557 -13.988 5.181 1.00 0.00 H new ATOM 0 HD12 ILE A 6 1.073 -12.459 4.409 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.234 -13.972 3.991 1.00 0.00 H new ATOM 89 N LEU A 7 3.135 -10.740 3.585 1.00 0.00 N ATOM 90 CA LEU A 7 3.070 -10.199 4.967 1.00 0.00 C ATOM 91 C LEU A 7 2.305 -8.873 5.190 1.00 0.00 C ATOM 92 O LEU A 7 2.013 -8.522 6.333 1.00 0.00 O ATOM 93 CB LEU A 7 4.480 -10.201 5.596 1.00 0.00 C ATOM 94 CG LEU A 7 5.521 -9.213 5.018 1.00 0.00 C ATOM 95 CD1 LEU A 7 5.314 -7.758 5.454 1.00 0.00 C ATOM 96 CD2 LEU A 7 6.909 -9.631 5.507 1.00 0.00 C ATOM 0 H LEU A 7 4.087 -10.956 3.291 1.00 0.00 H new ATOM 0 HA LEU A 7 2.419 -10.891 5.500 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.374 -9.993 6.661 1.00 0.00 H new ATOM 0 HB3 LEU A 7 4.887 -11.208 5.507 1.00 0.00 H new ATOM 0 HG LEU A 7 5.411 -9.254 3.934 1.00 0.00 H new ATOM 0 HD11 LEU A 7 6.085 -7.131 5.006 1.00 0.00 H new ATOM 0 HD12 LEU A 7 4.332 -7.416 5.127 1.00 0.00 H new ATOM 0 HD13 LEU A 7 5.378 -7.691 6.540 1.00 0.00 H new ATOM 0 HD21 LEU A 7 7.657 -8.945 5.109 1.00 0.00 H new ATOM 0 HD22 LEU A 7 6.935 -9.603 6.596 1.00 0.00 H new ATOM 0 HD23 LEU A 7 7.126 -10.643 5.164 1.00 0.00 H new ATOM 108 N ASP A 8 1.979 -8.202 4.093 1.00 0.00 N ATOM 109 CA ASP A 8 1.088 -7.049 3.923 1.00 0.00 C ATOM 110 C ASP A 8 -0.392 -7.411 4.164 1.00 0.00 C ATOM 111 O ASP A 8 -1.057 -6.829 5.020 1.00 0.00 O ATOM 112 CB ASP A 8 1.314 -6.588 2.466 1.00 0.00 C ATOM 113 CG ASP A 8 0.217 -5.686 1.890 1.00 0.00 C ATOM 114 OD1 ASP A 8 0.126 -4.527 2.346 1.00 0.00 O ATOM 115 OD2 ASP A 8 -0.475 -6.162 0.957 1.00 0.00 O ATOM 0 H ASP A 8 2.375 -8.481 3.195 1.00 0.00 H new ATOM 0 HA ASP A 8 1.311 -6.267 4.649 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.264 -6.057 2.413 1.00 0.00 H new ATOM 0 HB3 ASP A 8 1.407 -7.470 1.833 1.00 0.00 H new ATOM 120 N ILE A 9 -0.885 -8.464 3.496 1.00 0.00 N ATOM 121 CA ILE A 9 -2.313 -8.830 3.401 1.00 0.00 C ATOM 122 C ILE A 9 -2.861 -9.559 4.643 1.00 0.00 C ATOM 123 O ILE A 9 -3.650 -10.502 4.553 1.00 0.00 O ATOM 124 CB ILE A 9 -2.593 -9.646 2.121 1.00 0.00 C ATOM 125 CG1 ILE A 9 -1.888 -11.022 2.134 1.00 0.00 C ATOM 126 CG2 ILE A 9 -2.235 -8.870 0.847 1.00 0.00 C ATOM 127 CD1 ILE A 9 -2.839 -12.123 1.693 1.00 0.00 C ATOM 0 H ILE A 9 -0.282 -9.110 2.987 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.852 -7.884 3.349 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.668 -9.824 2.112 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -1.022 -10.998 1.473 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -1.518 -11.236 3.137 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.450 -9.486 -0.026 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.826 -7.955 0.800 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.175 -8.617 0.861 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.320 -13.081 1.711 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.692 -12.160 2.371 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -3.188 -11.918 0.681 1.00 0.00 H new ATOM 139 N ARG A 10 -2.365 -9.220 5.827 1.00 0.00 N ATOM 140 CA ARG A 10 -2.671 -9.858 7.113 1.00 0.00 C ATOM 141 C ARG A 10 -4.154 -10.104 7.369 1.00 0.00 C ATOM 142 O ARG A 10 -4.941 -9.192 7.584 1.00 0.00 O ATOM 143 CB ARG A 10 -2.103 -9.026 8.261 1.00 0.00 C ATOM 144 CG ARG A 10 -0.650 -9.379 8.543 1.00 0.00 C ATOM 145 CD ARG A 10 -0.460 -10.765 9.183 1.00 0.00 C ATOM 146 NE ARG A 10 0.937 -10.944 9.633 1.00 0.00 N ATOM 147 CZ ARG A 10 1.494 -10.465 10.735 1.00 0.00 C ATOM 148 NH1 ARG A 10 0.806 -9.825 11.640 1.00 0.00 N ATOM 149 NH2 ARG A 10 2.771 -10.620 10.946 1.00 0.00 N ATOM 0 H ARG A 10 -1.702 -8.451 5.927 1.00 0.00 H new ATOM 0 HA ARG A 10 -2.200 -10.840 7.061 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.180 -7.967 8.016 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.699 -9.189 9.159 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.089 -9.340 7.609 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.224 -8.623 9.203 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -1.137 -10.876 10.030 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -0.718 -11.542 8.464 1.00 0.00 H new ATOM 0 HE ARG A 10 1.540 -11.499 9.026 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -0.195 -9.680 11.511 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.269 -9.470 12.477 1.00 0.00 H new ATOM 0 HH21 ARG A 10 3.345 -11.112 10.261 1.00 0.00 H new ATOM 0 HH22 ARG A 10 3.196 -10.250 11.796 1.00 0.00 H new ATOM 163 N GLN A 11 -4.440 -11.389 7.544 1.00 0.00 N ATOM 164 CA GLN A 11 -5.748 -11.883 8.002 1.00 0.00 C ATOM 165 C GLN A 11 -5.690 -12.591 9.362 1.00 0.00 C ATOM 166 O GLN A 11 -6.628 -12.479 10.147 1.00 0.00 O ATOM 167 CB GLN A 11 -6.376 -12.778 6.927 1.00 0.00 C ATOM 168 CG GLN A 11 -7.772 -13.248 7.349 1.00 0.00 C ATOM 169 CD GLN A 11 -8.684 -13.658 6.194 1.00 0.00 C ATOM 170 OE1 GLN A 11 -8.342 -13.645 5.021 1.00 0.00 O ATOM 171 NE2 GLN A 11 -9.890 -14.079 6.504 1.00 0.00 N ATOM 0 H GLN A 11 -3.765 -12.134 7.371 1.00 0.00 H new ATOM 0 HA GLN A 11 -6.384 -11.011 8.157 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -6.442 -12.231 5.986 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -5.736 -13.642 6.749 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -7.666 -14.094 8.028 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -8.256 -12.448 7.910 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -10.189 -14.096 7.479 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -10.526 -14.389 5.770 1.00 0.00 H new ATOM 180 N GLY A 12 -4.586 -13.274 9.687 1.00 0.00 N ATOM 181 CA GLY A 12 -4.373 -13.811 11.028 1.00 0.00 C ATOM 182 C GLY A 12 -3.587 -15.124 10.989 1.00 0.00 C ATOM 183 O GLY A 12 -4.188 -16.163 10.737 1.00 0.00 O ATOM 0 H GLY A 12 -3.826 -13.466 9.034 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -3.834 -13.081 11.632 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -5.336 -13.976 11.512 1.00 0.00 H new ATOM 187 N PRO A 13 -2.264 -15.105 11.235 1.00 0.00 N ATOM 188 CA PRO A 13 -1.329 -16.220 11.033 1.00 0.00 C ATOM 189 C PRO A 13 -1.475 -17.414 12.006 1.00 0.00 C ATOM 190 O PRO A 13 -0.489 -18.047 12.368 1.00 0.00 O ATOM 191 CB PRO A 13 0.064 -15.565 11.034 1.00 0.00 C ATOM 192 CG PRO A 13 -0.105 -14.335 11.914 1.00 0.00 C ATOM 193 CD PRO A 13 -1.542 -13.911 11.630 1.00 0.00 C ATOM 0 HA PRO A 13 -1.543 -16.726 10.092 1.00 0.00 H new ATOM 0 HB2 PRO A 13 0.821 -16.240 11.433 1.00 0.00 H new ATOM 0 HB3 PRO A 13 0.378 -15.294 10.026 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.047 -14.568 12.968 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.607 -13.551 11.655 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -1.994 -13.462 12.514 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -1.574 -13.161 10.840 1.00 0.00 H new ATOM 201 N LYS A 14 -2.700 -17.712 12.455 1.00 0.00 N ATOM 202 CA LYS A 14 -3.032 -18.907 13.245 1.00 0.00 C ATOM 203 C LYS A 14 -4.424 -19.527 13.053 1.00 0.00 C ATOM 204 O LYS A 14 -4.701 -20.594 13.587 1.00 0.00 O ATOM 205 CB LYS A 14 -2.781 -18.552 14.708 1.00 0.00 C ATOM 206 CG LYS A 14 -3.849 -17.790 15.518 1.00 0.00 C ATOM 207 CD LYS A 14 -4.861 -18.716 16.217 1.00 0.00 C ATOM 208 CE LYS A 14 -5.621 -17.975 17.323 1.00 0.00 C ATOM 209 NZ LYS A 14 -6.674 -18.839 17.904 1.00 0.00 N ATOM 0 H LYS A 14 -3.508 -17.116 12.276 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.389 -19.706 12.876 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.580 -19.484 15.236 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.866 -17.961 14.744 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -3.354 -17.173 16.268 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.386 -17.114 14.852 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -5.568 -19.105 15.484 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.339 -19.573 16.643 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -4.926 -17.665 18.104 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.070 -17.068 16.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -7.132 -18.344 18.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -7.384 -19.058 17.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -6.247 -19.722 18.249 1.00 0.00 H new ATOM 223 N GLU A 15 -5.303 -18.825 12.342 1.00 0.00 N ATOM 224 CA GLU A 15 -6.753 -19.112 12.242 1.00 0.00 C ATOM 225 C GLU A 15 -7.269 -19.806 10.950 1.00 0.00 C ATOM 226 O GLU A 15 -7.977 -20.813 11.082 1.00 0.00 O ATOM 227 CB GLU A 15 -7.543 -17.799 12.469 1.00 0.00 C ATOM 228 CG GLU A 15 -7.786 -17.432 13.938 1.00 0.00 C ATOM 229 CD GLU A 15 -8.638 -18.470 14.678 1.00 0.00 C ATOM 230 OE1 GLU A 15 -9.515 -19.092 14.043 1.00 0.00 O ATOM 231 OE2 GLU A 15 -8.364 -18.687 15.876 1.00 0.00 O ATOM 0 H GLU A 15 -5.027 -18.009 11.796 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.925 -19.859 13.017 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.004 -16.981 11.991 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -8.507 -17.882 11.967 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.827 -17.328 14.445 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.280 -16.461 13.988 1.00 0.00 H new ATOM 238 N PRO A 16 -7.029 -19.293 9.723 1.00 0.00 N ATOM 239 CA PRO A 16 -7.658 -19.813 8.502 1.00 0.00 C ATOM 240 C PRO A 16 -6.783 -20.846 7.773 1.00 0.00 C ATOM 241 O PRO A 16 -5.581 -20.919 8.012 1.00 0.00 O ATOM 242 CB PRO A 16 -7.806 -18.566 7.622 1.00 0.00 C ATOM 243 CG PRO A 16 -6.516 -17.799 7.922 1.00 0.00 C ATOM 244 CD PRO A 16 -6.295 -18.071 9.408 1.00 0.00 C ATOM 0 HA PRO A 16 -8.593 -20.327 8.727 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.891 -18.822 6.566 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -8.693 -17.988 7.882 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.683 -18.158 7.317 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -6.623 -16.734 7.718 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -5.234 -18.190 9.626 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -6.653 -17.237 10.012 1.00 0.00 H new ATOM 252 N PHE A 17 -7.361 -21.587 6.811 1.00 0.00 N ATOM 253 CA PHE A 17 -6.595 -22.377 5.835 1.00 0.00 C ATOM 254 C PHE A 17 -6.913 -21.879 4.422 1.00 0.00 C ATOM 255 O PHE A 17 -6.303 -20.890 4.024 1.00 0.00 O ATOM 256 CB PHE A 17 -6.674 -23.909 6.030 1.00 0.00 C ATOM 257 CG PHE A 17 -5.438 -24.510 6.698 1.00 0.00 C ATOM 258 CD1 PHE A 17 -4.986 -23.999 7.930 1.00 0.00 C ATOM 259 CD2 PHE A 17 -4.659 -25.488 6.036 1.00 0.00 C ATOM 260 CE1 PHE A 17 -3.716 -24.341 8.420 1.00 0.00 C ATOM 261 CE2 PHE A 17 -3.409 -25.878 6.565 1.00 0.00 C ATOM 262 CZ PHE A 17 -2.919 -25.261 7.730 1.00 0.00 C ATOM 0 H PHE A 17 -8.372 -21.654 6.690 1.00 0.00 H new ATOM 0 HA PHE A 17 -5.534 -22.202 6.016 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -7.552 -24.145 6.632 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -6.817 -24.383 5.059 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -5.621 -23.339 8.502 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.021 -25.938 5.123 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -3.353 -23.892 9.333 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -2.831 -26.648 6.076 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.929 -25.497 8.091 1.00 0.00 H new ATOM 272 N ARG A 18 -7.850 -22.466 3.650 1.00 0.00 N ATOM 273 CA ARG A 18 -7.942 -22.148 2.216 1.00 0.00 C ATOM 274 C ARG A 18 -8.321 -20.714 1.884 1.00 0.00 C ATOM 275 O ARG A 18 -7.847 -20.145 0.910 1.00 0.00 O ATOM 276 CB ARG A 18 -8.740 -23.214 1.462 1.00 0.00 C ATOM 277 CG ARG A 18 -10.235 -23.418 1.744 1.00 0.00 C ATOM 278 CD ARG A 18 -11.111 -22.180 1.598 1.00 0.00 C ATOM 279 NE ARG A 18 -10.957 -21.478 0.305 1.00 0.00 N ATOM 280 CZ ARG A 18 -11.666 -20.444 -0.111 1.00 0.00 C ATOM 281 NH1 ARG A 18 -12.630 -19.910 0.592 1.00 0.00 N ATOM 282 NH2 ARG A 18 -11.397 -19.905 -1.262 1.00 0.00 N ATOM 0 H ARG A 18 -8.535 -23.144 3.986 1.00 0.00 H new ATOM 0 HA ARG A 18 -6.921 -22.192 1.837 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -8.641 -22.997 0.398 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -8.247 -24.170 1.640 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.611 -24.188 1.070 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -10.345 -23.801 2.759 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -12.155 -22.471 1.719 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -10.878 -21.486 2.406 1.00 0.00 H new ATOM 0 HE ARG A 18 -10.234 -21.826 -0.325 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -12.865 -20.292 1.508 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -13.147 -19.111 0.224 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -10.643 -20.281 -1.837 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -11.940 -19.106 -1.590 1.00 0.00 H new ATOM 296 N ASP A 19 -9.096 -20.130 2.777 1.00 0.00 N ATOM 297 CA ASP A 19 -9.664 -18.776 2.688 1.00 0.00 C ATOM 298 C ASP A 19 -8.560 -17.708 2.638 1.00 0.00 C ATOM 299 O ASP A 19 -8.726 -16.624 2.078 1.00 0.00 O ATOM 300 CB ASP A 19 -10.624 -18.578 3.877 1.00 0.00 C ATOM 301 CG ASP A 19 -11.520 -19.812 4.054 1.00 0.00 C ATOM 302 OD1 ASP A 19 -11.048 -20.761 4.729 1.00 0.00 O ATOM 303 OD2 ASP A 19 -12.530 -19.926 3.322 1.00 0.00 O ATOM 0 H ASP A 19 -9.369 -20.605 3.637 1.00 0.00 H new ATOM 0 HA ASP A 19 -10.223 -18.663 1.759 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -10.053 -18.402 4.788 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -11.240 -17.694 3.712 1.00 0.00 H new ATOM 308 N TYR A 20 -7.390 -18.110 3.133 1.00 0.00 N ATOM 309 CA TYR A 20 -6.146 -17.348 3.120 1.00 0.00 C ATOM 310 C TYR A 20 -5.044 -17.975 2.253 1.00 0.00 C ATOM 311 O TYR A 20 -4.304 -17.233 1.614 1.00 0.00 O ATOM 312 CB TYR A 20 -5.686 -17.150 4.565 1.00 0.00 C ATOM 313 CG TYR A 20 -4.729 -15.992 4.729 1.00 0.00 C ATOM 314 CD1 TYR A 20 -5.161 -14.704 4.372 1.00 0.00 C ATOM 315 CD2 TYR A 20 -3.437 -16.181 5.256 1.00 0.00 C ATOM 316 CE1 TYR A 20 -4.308 -13.605 4.547 1.00 0.00 C ATOM 317 CE2 TYR A 20 -2.585 -15.079 5.452 1.00 0.00 C ATOM 318 CZ TYR A 20 -3.027 -13.787 5.105 1.00 0.00 C ATOM 319 OH TYR A 20 -2.243 -12.713 5.362 1.00 0.00 O ATOM 0 H TYR A 20 -7.281 -19.022 3.576 1.00 0.00 H new ATOM 0 HA TYR A 20 -6.345 -16.384 2.652 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -6.558 -16.986 5.198 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -5.205 -18.063 4.915 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -6.150 -14.560 3.963 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -3.099 -17.175 5.510 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -4.633 -12.618 4.254 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -1.598 -15.222 5.866 1.00 0.00 H new ATOM 0 HH TYR A 20 -2.748 -11.891 5.191 1.00 0.00 H new ATOM 329 N VAL A 21 -4.965 -19.310 2.151 1.00 0.00 N ATOM 330 CA VAL A 21 -3.956 -20.056 1.363 1.00 0.00 C ATOM 331 C VAL A 21 -3.875 -19.598 -0.085 1.00 0.00 C ATOM 332 O VAL A 21 -2.782 -19.437 -0.625 1.00 0.00 O ATOM 333 CB VAL A 21 -4.197 -21.581 1.449 1.00 0.00 C ATOM 334 CG1 VAL A 21 -4.991 -22.252 0.319 1.00 0.00 C ATOM 335 CG2 VAL A 21 -2.898 -22.368 1.559 1.00 0.00 C ATOM 0 H VAL A 21 -5.622 -19.927 2.629 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.989 -19.832 1.813 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.812 -21.621 2.348 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.077 -23.320 0.519 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.987 -21.812 0.263 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.474 -22.101 -0.628 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.122 -23.433 1.617 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -2.280 -22.174 0.683 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -2.361 -22.061 2.457 1.00 0.00 H new ATOM 345 N ASP A 22 -5.042 -19.306 -0.654 1.00 0.00 N ATOM 346 CA ASP A 22 -5.234 -18.750 -1.975 1.00 0.00 C ATOM 347 C ASP A 22 -4.500 -17.415 -2.140 1.00 0.00 C ATOM 348 O ASP A 22 -3.710 -17.213 -3.056 1.00 0.00 O ATOM 349 CB ASP A 22 -6.750 -18.565 -2.094 1.00 0.00 C ATOM 350 CG ASP A 22 -7.551 -19.865 -2.285 1.00 0.00 C ATOM 351 OD1 ASP A 22 -6.921 -20.907 -2.554 1.00 0.00 O ATOM 352 OD2 ASP A 22 -8.799 -19.809 -2.162 1.00 0.00 O ATOM 0 H ASP A 22 -5.926 -19.463 -0.170 1.00 0.00 H new ATOM 0 HA ASP A 22 -4.831 -19.399 -2.753 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -7.111 -18.062 -1.197 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -6.955 -17.903 -2.935 1.00 0.00 H new ATOM 357 N ARG A 23 -4.772 -16.513 -1.197 1.00 0.00 N ATOM 358 CA ARG A 23 -4.314 -15.114 -1.104 1.00 0.00 C ATOM 359 C ARG A 23 -2.837 -15.007 -0.681 1.00 0.00 C ATOM 360 O ARG A 23 -2.167 -14.009 -0.941 1.00 0.00 O ATOM 361 CB ARG A 23 -5.235 -14.329 -0.126 1.00 0.00 C ATOM 362 CG ARG A 23 -6.621 -14.917 0.195 1.00 0.00 C ATOM 363 CD ARG A 23 -7.503 -15.149 -1.029 1.00 0.00 C ATOM 364 NE ARG A 23 -8.322 -13.978 -1.383 1.00 0.00 N ATOM 365 CZ ARG A 23 -9.018 -13.861 -2.504 1.00 0.00 C ATOM 366 NH1 ARG A 23 -8.993 -14.808 -3.403 1.00 0.00 N ATOM 367 NH2 ARG A 23 -9.736 -12.800 -2.762 1.00 0.00 N ATOM 0 H ARG A 23 -5.370 -16.757 -0.407 1.00 0.00 H new ATOM 0 HA ARG A 23 -4.381 -14.671 -2.098 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -4.698 -14.210 0.815 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.384 -13.330 -0.537 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -6.489 -15.864 0.718 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -7.139 -14.245 0.879 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -6.873 -15.414 -1.878 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -8.158 -15.999 -0.841 1.00 0.00 H new ATOM 0 HE ARG A 23 -8.356 -13.204 -0.720 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -8.434 -15.647 -3.245 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -9.532 -14.709 -4.263 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -9.771 -12.033 -2.091 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -10.261 -12.739 -3.634 1.00 0.00 H new ATOM 381 N PHE A 24 -2.353 -16.050 -0.021 1.00 0.00 N ATOM 382 CA PHE A 24 -0.988 -16.258 0.437 1.00 0.00 C ATOM 383 C PHE A 24 -0.095 -16.844 -0.687 1.00 0.00 C ATOM 384 O PHE A 24 0.793 -16.150 -1.196 1.00 0.00 O ATOM 385 CB PHE A 24 -1.127 -17.142 1.693 1.00 0.00 C ATOM 386 CG PHE A 24 0.170 -17.647 2.256 1.00 0.00 C ATOM 387 CD1 PHE A 24 0.740 -18.799 1.706 1.00 0.00 C ATOM 388 CD2 PHE A 24 0.827 -16.975 3.294 1.00 0.00 C ATOM 389 CE1 PHE A 24 2.046 -19.161 2.034 1.00 0.00 C ATOM 390 CE2 PHE A 24 2.141 -17.341 3.625 1.00 0.00 C ATOM 391 CZ PHE A 24 2.793 -18.358 2.907 1.00 0.00 C ATOM 0 H PHE A 24 -2.954 -16.835 0.228 1.00 0.00 H new ATOM 0 HA PHE A 24 -0.471 -15.334 0.695 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -1.644 -16.573 2.465 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.758 -17.997 1.450 1.00 0.00 H new ATOM 0 HD1 PHE A 24 0.167 -19.411 1.025 1.00 0.00 H new ATOM 0 HD2 PHE A 24 0.328 -16.184 3.834 1.00 0.00 H new ATOM 0 HE1 PHE A 24 2.481 -20.057 1.617 1.00 0.00 H new ATOM 0 HE2 PHE A 24 2.652 -16.840 4.434 1.00 0.00 H new ATOM 0 HZ PHE A 24 3.854 -18.519 3.026 1.00 0.00 H new ATOM 401 N TYR A 25 -0.357 -18.074 -1.162 1.00 0.00 N ATOM 402 CA TYR A 25 0.452 -18.697 -2.224 1.00 0.00 C ATOM 403 C TYR A 25 0.395 -17.879 -3.537 1.00 0.00 C ATOM 404 O TYR A 25 1.375 -17.913 -4.280 1.00 0.00 O ATOM 405 CB TYR A 25 0.152 -20.204 -2.429 1.00 0.00 C ATOM 406 CG TYR A 25 0.759 -21.199 -1.421 1.00 0.00 C ATOM 407 CD1 TYR A 25 0.053 -21.528 -0.253 1.00 0.00 C ATOM 408 CD2 TYR A 25 1.984 -21.874 -1.658 1.00 0.00 C ATOM 409 CE1 TYR A 25 0.552 -22.469 0.657 1.00 0.00 C ATOM 410 CE2 TYR A 25 2.477 -22.857 -0.761 1.00 0.00 C ATOM 411 CZ TYR A 25 1.753 -23.158 0.413 1.00 0.00 C ATOM 412 OH TYR A 25 2.156 -24.084 1.331 1.00 0.00 O ATOM 0 H TYR A 25 -1.124 -18.657 -0.827 1.00 0.00 H new ATOM 0 HA TYR A 25 1.486 -18.669 -1.880 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -0.930 -20.335 -2.419 1.00 0.00 H new ATOM 0 HB3 TYR A 25 0.498 -20.482 -3.425 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -0.893 -21.047 -0.052 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.555 -21.634 -2.543 1.00 0.00 H new ATOM 0 HE1 TYR A 25 0.003 -22.669 1.565 1.00 0.00 H new ATOM 0 HE2 TYR A 25 3.402 -23.372 -0.975 1.00 0.00 H new ATOM 0 HH TYR A 25 1.517 -24.108 2.074 1.00 0.00 H new ATOM 422 N LYS A 26 -0.653 -17.060 -3.779 1.00 0.00 N ATOM 423 CA LYS A 26 -0.749 -16.065 -4.877 1.00 0.00 C ATOM 424 C LYS A 26 0.501 -15.206 -5.086 1.00 0.00 C ATOM 425 O LYS A 26 0.750 -14.811 -6.228 1.00 0.00 O ATOM 426 CB LYS A 26 -2.044 -15.214 -4.731 1.00 0.00 C ATOM 427 CG LYS A 26 -2.007 -13.684 -4.995 1.00 0.00 C ATOM 428 CD LYS A 26 -1.704 -12.944 -3.684 1.00 0.00 C ATOM 429 CE LYS A 26 -1.410 -11.444 -3.760 1.00 0.00 C ATOM 430 NZ LYS A 26 -0.901 -10.971 -2.444 1.00 0.00 N ATOM 0 H LYS A 26 -1.488 -17.072 -3.194 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.814 -16.644 -5.798 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.788 -15.640 -5.404 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.413 -15.358 -3.715 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.246 -13.451 -5.740 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -2.963 -13.351 -5.400 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.554 -13.085 -3.016 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.847 -13.429 -3.216 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -0.674 -11.246 -4.539 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -2.314 -10.898 -4.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -0.749 -9.943 -2.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -1.596 -11.193 -1.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -0.001 -11.446 -2.229 1.00 0.00 H new ATOM 444 N THR A 27 1.287 -14.928 -4.046 1.00 0.00 N ATOM 445 CA THR A 27 2.540 -14.166 -4.205 1.00 0.00 C ATOM 446 C THR A 27 3.771 -14.813 -3.598 1.00 0.00 C ATOM 447 O THR A 27 4.819 -14.693 -4.218 1.00 0.00 O ATOM 448 CB THR A 27 2.435 -12.707 -3.752 1.00 0.00 C ATOM 449 OG1 THR A 27 1.651 -12.466 -2.599 1.00 0.00 O ATOM 450 CG2 THR A 27 1.846 -11.862 -4.878 1.00 0.00 C ATOM 0 H THR A 27 1.086 -15.214 -3.088 1.00 0.00 H new ATOM 0 HA THR A 27 2.683 -14.179 -5.285 1.00 0.00 H new ATOM 0 HB THR A 27 3.460 -12.438 -3.495 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.897 -11.600 -2.211 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.772 -10.824 -4.554 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.491 -11.923 -5.754 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.853 -12.234 -5.131 1.00 0.00 H new ATOM 458 N LEU A 28 3.643 -15.579 -2.511 1.00 0.00 N ATOM 459 CA LEU A 28 4.728 -16.415 -1.975 1.00 0.00 C ATOM 460 C LEU A 28 5.482 -17.221 -3.059 1.00 0.00 C ATOM 461 O LEU A 28 6.702 -17.366 -3.013 1.00 0.00 O ATOM 462 CB LEU A 28 4.096 -17.357 -0.943 1.00 0.00 C ATOM 463 CG LEU A 28 5.104 -18.358 -0.351 1.00 0.00 C ATOM 464 CD1 LEU A 28 5.521 -17.968 1.057 1.00 0.00 C ATOM 465 CD2 LEU A 28 4.525 -19.768 -0.506 1.00 0.00 C ATOM 0 H LEU A 28 2.779 -15.639 -1.972 1.00 0.00 H new ATOM 0 HA LEU A 28 5.483 -15.769 -1.528 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.662 -16.766 -0.137 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.279 -17.906 -1.411 1.00 0.00 H new ATOM 0 HG LEU A 28 6.046 -18.342 -0.899 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.233 -18.699 1.441 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.986 -16.983 1.039 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.643 -17.943 1.703 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.223 -20.496 -0.093 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.576 -19.832 0.027 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.363 -19.981 -1.563 1.00 0.00 H new ATOM 477 N ARG A 29 4.783 -17.762 -4.065 1.00 0.00 N ATOM 478 CA ARG A 29 5.438 -18.515 -5.152 1.00 0.00 C ATOM 479 C ARG A 29 6.409 -17.731 -6.059 1.00 0.00 C ATOM 480 O ARG A 29 6.893 -18.304 -7.029 1.00 0.00 O ATOM 481 CB ARG A 29 4.394 -19.343 -5.906 1.00 0.00 C ATOM 482 CG ARG A 29 3.301 -18.485 -6.537 1.00 0.00 C ATOM 483 CD ARG A 29 3.623 -17.933 -7.928 1.00 0.00 C ATOM 484 NE ARG A 29 2.602 -16.942 -8.305 1.00 0.00 N ATOM 485 CZ ARG A 29 1.338 -17.188 -8.588 1.00 0.00 C ATOM 486 NH1 ARG A 29 0.889 -18.400 -8.779 1.00 0.00 N ATOM 487 NH2 ARG A 29 0.494 -16.202 -8.665 1.00 0.00 N ATOM 0 H ARG A 29 3.769 -17.695 -4.152 1.00 0.00 H new ATOM 0 HA ARG A 29 6.141 -19.191 -4.665 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.890 -19.922 -6.685 1.00 0.00 H new ATOM 0 HB3 ARG A 29 3.938 -20.057 -5.220 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.389 -19.078 -6.602 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.090 -17.648 -5.872 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.611 -17.473 -7.930 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.647 -18.743 -8.657 1.00 0.00 H new ATOM 0 HE ARG A 29 2.902 -15.968 -8.352 1.00 0.00 H new ATOM 0 HH11 ARG A 29 1.524 -19.196 -8.711 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.096 -18.551 -8.996 1.00 0.00 H new ATOM 0 HH21 ARG A 29 0.811 -15.246 -8.507 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -0.485 -16.385 -8.884 1.00 0.00 H new ATOM 501 N ALA A 30 6.681 -16.447 -5.814 1.00 0.00 N ATOM 502 CA ALA A 30 7.791 -15.755 -6.481 1.00 0.00 C ATOM 503 C ALA A 30 9.162 -16.224 -5.928 1.00 0.00 C ATOM 504 O ALA A 30 10.148 -16.220 -6.663 1.00 0.00 O ATOM 505 CB ALA A 30 7.579 -14.239 -6.384 1.00 0.00 C ATOM 0 H ALA A 30 6.152 -15.867 -5.163 1.00 0.00 H new ATOM 0 HA ALA A 30 7.803 -16.015 -7.539 1.00 0.00 H new ATOM 0 HB1 ALA A 30 8.402 -13.724 -6.879 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.640 -13.971 -6.869 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.544 -13.943 -5.336 1.00 0.00 H new ATOM 511 N GLU A 31 9.203 -16.746 -4.694 1.00 0.00 N ATOM 512 CA GLU A 31 10.381 -17.372 -4.070 1.00 0.00 C ATOM 513 C GLU A 31 10.098 -18.779 -3.480 1.00 0.00 C ATOM 514 O GLU A 31 11.012 -19.480 -3.049 1.00 0.00 O ATOM 515 CB GLU A 31 11.061 -16.400 -3.078 1.00 0.00 C ATOM 516 CG GLU A 31 10.143 -15.632 -2.109 1.00 0.00 C ATOM 517 CD GLU A 31 9.503 -14.388 -2.757 1.00 0.00 C ATOM 518 OE1 GLU A 31 10.209 -13.362 -2.911 1.00 0.00 O ATOM 519 OE2 GLU A 31 8.303 -14.485 -3.109 1.00 0.00 O ATOM 0 H GLU A 31 8.389 -16.745 -4.080 1.00 0.00 H new ATOM 0 HA GLU A 31 11.102 -17.567 -4.864 1.00 0.00 H new ATOM 0 HB2 GLU A 31 11.779 -16.968 -2.486 1.00 0.00 H new ATOM 0 HB3 GLU A 31 11.630 -15.671 -3.655 1.00 0.00 H new ATOM 0 HG2 GLU A 31 9.356 -16.298 -1.755 1.00 0.00 H new ATOM 0 HG3 GLU A 31 10.718 -15.326 -1.235 1.00 0.00 H new ATOM 526 N GLN A 32 8.850 -19.258 -3.548 1.00 0.00 N ATOM 527 CA GLN A 32 8.412 -20.639 -3.247 1.00 0.00 C ATOM 528 C GLN A 32 7.658 -21.225 -4.457 1.00 0.00 C ATOM 529 O GLN A 32 6.495 -21.624 -4.376 1.00 0.00 O ATOM 530 CB GLN A 32 7.546 -20.671 -1.979 1.00 0.00 C ATOM 531 CG GLN A 32 8.206 -20.086 -0.726 1.00 0.00 C ATOM 532 CD GLN A 32 9.312 -20.969 -0.153 1.00 0.00 C ATOM 533 OE1 GLN A 32 9.120 -21.754 0.764 1.00 0.00 O ATOM 534 NE2 GLN A 32 10.528 -20.882 -0.640 1.00 0.00 N ATOM 0 H GLN A 32 8.070 -18.664 -3.830 1.00 0.00 H new ATOM 0 HA GLN A 32 9.290 -21.256 -3.058 1.00 0.00 H new ATOM 0 HB2 GLN A 32 6.624 -20.124 -2.174 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.267 -21.705 -1.775 1.00 0.00 H new ATOM 0 HG2 GLN A 32 8.621 -19.107 -0.967 1.00 0.00 H new ATOM 0 HG3 GLN A 32 7.444 -19.930 0.038 1.00 0.00 H new ATOM 0 HE21 GLN A 32 10.726 -20.238 -1.406 1.00 0.00 H new ATOM 0 HE22 GLN A 32 11.275 -21.459 -0.253 1.00 0.00 H new ATOM 543 N ALA A 33 8.308 -21.145 -5.620 1.00 0.00 N ATOM 544 CA ALA A 33 7.758 -21.407 -6.963 1.00 0.00 C ATOM 545 C ALA A 33 7.020 -22.745 -7.198 1.00 0.00 C ATOM 546 O ALA A 33 6.293 -22.874 -8.185 1.00 0.00 O ATOM 547 CB ALA A 33 8.884 -21.192 -7.983 1.00 0.00 C ATOM 0 H ALA A 33 9.292 -20.880 -5.658 1.00 0.00 H new ATOM 0 HA ALA A 33 6.941 -20.696 -7.085 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.505 -21.379 -8.988 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.244 -20.165 -7.916 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.704 -21.878 -7.770 1.00 0.00 H new ATOM 553 N SER A 34 7.147 -23.710 -6.288 1.00 0.00 N ATOM 554 CA SER A 34 6.464 -25.004 -6.309 1.00 0.00 C ATOM 555 C SER A 34 6.060 -25.428 -4.896 1.00 0.00 C ATOM 556 O SER A 34 6.686 -25.027 -3.916 1.00 0.00 O ATOM 557 CB SER A 34 7.386 -26.062 -6.929 1.00 0.00 C ATOM 558 OG SER A 34 8.665 -26.073 -6.320 1.00 0.00 O ATOM 0 H SER A 34 7.758 -23.606 -5.478 1.00 0.00 H new ATOM 0 HA SER A 34 5.559 -24.911 -6.910 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.928 -27.046 -6.828 1.00 0.00 H new ATOM 0 HB3 SER A 34 7.494 -25.868 -7.996 1.00 0.00 H new ATOM 0 HG SER A 34 9.222 -26.761 -6.741 1.00 0.00 H new ATOM 564 N GLN A 35 5.045 -26.290 -4.782 1.00 0.00 N ATOM 565 CA GLN A 35 4.658 -26.965 -3.564 1.00 0.00 C ATOM 566 C GLN A 35 5.807 -27.804 -2.984 1.00 0.00 C ATOM 567 O GLN A 35 6.537 -28.459 -3.734 1.00 0.00 O ATOM 568 CB GLN A 35 3.431 -27.806 -3.949 1.00 0.00 C ATOM 569 CG GLN A 35 3.668 -29.030 -4.867 1.00 0.00 C ATOM 570 CD GLN A 35 3.862 -30.356 -4.121 1.00 0.00 C ATOM 571 OE1 GLN A 35 2.913 -31.019 -3.738 1.00 0.00 O ATOM 572 NE2 GLN A 35 5.075 -30.807 -3.882 1.00 0.00 N ATOM 0 H GLN A 35 4.454 -26.539 -5.575 1.00 0.00 H new ATOM 0 HA GLN A 35 4.415 -26.265 -2.764 1.00 0.00 H new ATOM 0 HB2 GLN A 35 2.963 -28.159 -3.030 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.713 -27.150 -4.441 1.00 0.00 H new ATOM 0 HG2 GLN A 35 2.820 -29.130 -5.545 1.00 0.00 H new ATOM 0 HG3 GLN A 35 4.548 -28.842 -5.482 1.00 0.00 H new ATOM 0 HE21 GLN A 35 5.888 -30.273 -4.191 1.00 0.00 H new ATOM 0 HE22 GLN A 35 5.203 -31.690 -3.388 1.00 0.00 H new ATOM 581 N GLU A 36 5.939 -27.833 -1.659 1.00 0.00 N ATOM 582 CA GLU A 36 6.969 -28.594 -0.952 1.00 0.00 C ATOM 583 C GLU A 36 6.641 -28.715 0.559 1.00 0.00 C ATOM 584 O GLU A 36 6.156 -27.770 1.178 1.00 0.00 O ATOM 585 CB GLU A 36 8.342 -27.932 -1.223 1.00 0.00 C ATOM 586 CG GLU A 36 9.383 -28.487 -0.268 1.00 0.00 C ATOM 587 CD GLU A 36 10.850 -28.346 -0.677 1.00 0.00 C ATOM 588 OE1 GLU A 36 11.370 -27.219 -0.710 1.00 0.00 O ATOM 589 OE2 GLU A 36 11.522 -29.409 -0.698 1.00 0.00 O ATOM 0 H GLU A 36 5.320 -27.317 -1.033 1.00 0.00 H new ATOM 0 HA GLU A 36 7.003 -29.618 -1.324 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.647 -28.116 -2.253 1.00 0.00 H new ATOM 0 HB3 GLU A 36 8.264 -26.852 -1.102 1.00 0.00 H new ATOM 0 HG2 GLU A 36 9.252 -27.997 0.697 1.00 0.00 H new ATOM 0 HG3 GLU A 36 9.174 -29.546 -0.118 1.00 0.00 H new ATOM 596 N VAL A 37 6.963 -29.872 1.162 1.00 0.00 N ATOM 597 CA VAL A 37 6.868 -30.179 2.610 1.00 0.00 C ATOM 598 C VAL A 37 7.651 -29.209 3.514 1.00 0.00 C ATOM 599 O VAL A 37 7.260 -28.971 4.649 1.00 0.00 O ATOM 600 CB VAL A 37 7.314 -31.641 2.842 1.00 0.00 C ATOM 601 CG1 VAL A 37 7.633 -32.007 4.295 1.00 0.00 C ATOM 602 CG2 VAL A 37 6.222 -32.603 2.352 1.00 0.00 C ATOM 0 H VAL A 37 7.317 -30.666 0.628 1.00 0.00 H new ATOM 0 HA VAL A 37 5.825 -30.047 2.900 1.00 0.00 H new ATOM 0 HB VAL A 37 8.243 -31.735 2.279 1.00 0.00 H new ATOM 0 HG11 VAL A 37 7.935 -33.053 4.349 1.00 0.00 H new ATOM 0 HG12 VAL A 37 8.443 -31.376 4.660 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.748 -31.853 4.912 1.00 0.00 H new ATOM 0 HG21 VAL A 37 6.542 -33.632 2.518 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.299 -32.417 2.902 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.048 -32.444 1.288 1.00 0.00 H new ATOM 612 N LYS A 38 8.742 -28.601 3.031 1.00 0.00 N ATOM 613 CA LYS A 38 9.564 -27.618 3.773 1.00 0.00 C ATOM 614 C LYS A 38 8.894 -26.238 3.951 1.00 0.00 C ATOM 615 O LYS A 38 9.596 -25.288 4.280 1.00 0.00 O ATOM 616 CB LYS A 38 10.912 -27.366 3.061 1.00 0.00 C ATOM 617 CG LYS A 38 11.663 -28.516 2.388 1.00 0.00 C ATOM 618 CD LYS A 38 12.484 -29.473 3.251 1.00 0.00 C ATOM 619 CE LYS A 38 13.593 -30.109 2.385 1.00 0.00 C ATOM 620 NZ LYS A 38 13.107 -30.620 1.070 1.00 0.00 N ATOM 0 H LYS A 38 9.092 -28.779 2.090 1.00 0.00 H new ATOM 0 HA LYS A 38 9.699 -28.073 4.754 1.00 0.00 H new ATOM 0 HB2 LYS A 38 10.736 -26.607 2.298 1.00 0.00 H new ATOM 0 HB3 LYS A 38 11.587 -26.928 3.796 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.931 -29.111 1.842 1.00 0.00 H new ATOM 0 HG3 LYS A 38 12.336 -28.081 1.649 1.00 0.00 H new ATOM 0 HD2 LYS A 38 12.924 -28.937 4.092 1.00 0.00 H new ATOM 0 HD3 LYS A 38 11.842 -30.248 3.668 1.00 0.00 H new ATOM 0 HE2 LYS A 38 14.375 -29.370 2.211 1.00 0.00 H new ATOM 0 HE3 LYS A 38 14.048 -30.930 2.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 13.888 -31.093 0.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 12.334 -31.298 1.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.760 -29.825 0.496 1.00 0.00 H new ATOM 634 N ASN A 39 7.599 -26.079 3.653 1.00 0.00 N ATOM 635 CA ASN A 39 6.913 -24.778 3.554 1.00 0.00 C ATOM 636 C ASN A 39 7.197 -23.776 4.701 1.00 0.00 C ATOM 637 O ASN A 39 7.336 -22.587 4.422 1.00 0.00 O ATOM 638 CB ASN A 39 5.439 -24.978 3.177 1.00 0.00 C ATOM 639 CG ASN A 39 4.445 -24.878 4.307 1.00 0.00 C ATOM 640 OD1 ASN A 39 4.656 -25.320 5.419 1.00 0.00 O ATOM 641 ND2 ASN A 39 3.299 -24.325 3.991 1.00 0.00 N ATOM 0 H ASN A 39 6.981 -26.869 3.469 1.00 0.00 H new ATOM 0 HA ASN A 39 7.373 -24.238 2.726 1.00 0.00 H new ATOM 0 HB2 ASN A 39 5.175 -24.238 2.421 1.00 0.00 H new ATOM 0 HB3 ASN A 39 5.334 -25.959 2.713 1.00 0.00 H new ATOM 0 HD21 ASN A 39 2.556 -24.257 4.687 1.00 0.00 H new ATOM 0 HD22 ASN A 39 3.150 -23.962 3.049 1.00 0.00 H new ATOM 648 N ALA A 40 7.400 -24.226 5.947 1.00 0.00 N ATOM 649 CA ALA A 40 7.848 -23.405 7.087 1.00 0.00 C ATOM 650 C ALA A 40 9.174 -22.624 6.873 1.00 0.00 C ATOM 651 O ALA A 40 9.506 -21.730 7.644 1.00 0.00 O ATOM 652 CB ALA A 40 7.922 -24.311 8.324 1.00 0.00 C ATOM 0 H ALA A 40 7.253 -25.203 6.200 1.00 0.00 H new ATOM 0 HA ALA A 40 7.112 -22.612 7.216 1.00 0.00 H new ATOM 0 HB1 ALA A 40 8.252 -23.727 9.183 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.937 -24.731 8.527 1.00 0.00 H new ATOM 0 HB3 ALA A 40 8.630 -25.119 8.141 1.00 0.00 H new ATOM 658 N MET A 41 9.930 -22.902 5.801 1.00 0.00 N ATOM 659 CA MET A 41 11.086 -22.106 5.341 1.00 0.00 C ATOM 660 C MET A 41 10.730 -20.688 4.837 1.00 0.00 C ATOM 661 O MET A 41 11.629 -19.907 4.521 1.00 0.00 O ATOM 662 CB MET A 41 11.821 -22.870 4.227 1.00 0.00 C ATOM 663 CG MET A 41 12.597 -24.094 4.735 1.00 0.00 C ATOM 664 SD MET A 41 13.921 -23.790 5.945 1.00 0.00 S ATOM 665 CE MET A 41 14.887 -22.495 5.120 1.00 0.00 C ATOM 0 H MET A 41 9.751 -23.713 5.208 1.00 0.00 H new ATOM 0 HA MET A 41 11.720 -21.965 6.217 1.00 0.00 H new ATOM 0 HB2 MET A 41 11.096 -23.193 3.480 1.00 0.00 H new ATOM 0 HB3 MET A 41 12.513 -22.192 3.728 1.00 0.00 H new ATOM 0 HG2 MET A 41 11.883 -24.786 5.181 1.00 0.00 H new ATOM 0 HG3 MET A 41 13.035 -24.599 3.874 1.00 0.00 H new ATOM 0 HE1 MET A 41 15.813 -22.326 5.670 1.00 0.00 H new ATOM 0 HE2 MET A 41 15.121 -22.808 4.103 1.00 0.00 H new ATOM 0 HE3 MET A 41 14.308 -21.572 5.091 1.00 0.00 H new ATOM 675 N THR A 42 9.443 -20.353 4.750 1.00 0.00 N ATOM 676 CA THR A 42 8.894 -19.007 4.498 1.00 0.00 C ATOM 677 C THR A 42 7.762 -18.694 5.476 1.00 0.00 C ATOM 678 O THR A 42 7.452 -19.492 6.351 1.00 0.00 O ATOM 679 CB THR A 42 8.397 -18.850 3.048 1.00 0.00 C ATOM 680 OG1 THR A 42 7.808 -20.030 2.562 1.00 0.00 O ATOM 681 CG2 THR A 42 9.562 -18.473 2.141 1.00 0.00 C ATOM 0 H THR A 42 8.706 -21.050 4.859 1.00 0.00 H new ATOM 0 HA THR A 42 9.706 -18.296 4.651 1.00 0.00 H new ATOM 0 HB THR A 42 7.641 -18.065 3.048 1.00 0.00 H new ATOM 0 HG1 THR A 42 8.480 -20.558 2.083 1.00 0.00 H new ATOM 0 HG21 THR A 42 9.205 -18.363 1.117 1.00 0.00 H new ATOM 0 HG22 THR A 42 9.995 -17.531 2.477 1.00 0.00 H new ATOM 0 HG23 THR A 42 10.321 -19.255 2.179 1.00 0.00 H new ATOM 689 N GLU A 43 7.120 -17.532 5.343 1.00 0.00 N ATOM 690 CA GLU A 43 6.043 -17.036 6.222 1.00 0.00 C ATOM 691 C GLU A 43 4.772 -17.902 6.371 1.00 0.00 C ATOM 692 O GLU A 43 3.802 -17.482 6.999 1.00 0.00 O ATOM 693 CB GLU A 43 5.638 -15.653 5.710 1.00 0.00 C ATOM 694 CG GLU A 43 5.098 -15.666 4.272 1.00 0.00 C ATOM 695 CD GLU A 43 6.005 -14.941 3.273 1.00 0.00 C ATOM 696 OE1 GLU A 43 7.148 -15.430 3.140 1.00 0.00 O ATOM 697 OE2 GLU A 43 5.545 -13.938 2.664 1.00 0.00 O ATOM 0 H GLU A 43 7.340 -16.879 4.591 1.00 0.00 H new ATOM 0 HA GLU A 43 6.473 -17.045 7.224 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.878 -15.238 6.371 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.501 -14.989 5.760 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.969 -16.699 3.950 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.112 -15.202 4.258 1.00 0.00 H new ATOM 704 N THR A 44 4.739 -19.044 5.698 1.00 0.00 N ATOM 705 CA THR A 44 3.650 -20.000 5.566 1.00 0.00 C ATOM 706 C THR A 44 2.960 -20.464 6.851 1.00 0.00 C ATOM 707 O THR A 44 3.497 -20.510 7.953 1.00 0.00 O ATOM 708 CB THR A 44 4.085 -21.215 4.747 1.00 0.00 C ATOM 709 OG1 THR A 44 4.857 -22.075 5.519 1.00 0.00 O ATOM 710 CG2 THR A 44 4.837 -21.006 3.441 1.00 0.00 C ATOM 0 H THR A 44 5.560 -19.355 5.178 1.00 0.00 H new ATOM 0 HA THR A 44 2.886 -19.421 5.048 1.00 0.00 H new ATOM 0 HB THR A 44 3.114 -21.613 4.451 1.00 0.00 H new ATOM 0 HG1 THR A 44 4.275 -22.726 5.964 1.00 0.00 H new ATOM 0 HG21 THR A 44 5.066 -21.973 2.994 1.00 0.00 H new ATOM 0 HG22 THR A 44 4.220 -20.426 2.755 1.00 0.00 H new ATOM 0 HG23 THR A 44 5.765 -20.468 3.637 1.00 0.00 H new ATOM 718 N LEU A 45 1.676 -20.783 6.654 1.00 0.00 N ATOM 719 CA LEU A 45 0.689 -21.029 7.697 1.00 0.00 C ATOM 720 C LEU A 45 -0.339 -22.116 7.298 1.00 0.00 C ATOM 721 O LEU A 45 -1.247 -22.433 8.059 1.00 0.00 O ATOM 722 CB LEU A 45 -0.088 -19.708 7.918 1.00 0.00 C ATOM 723 CG LEU A 45 0.660 -18.359 7.852 1.00 0.00 C ATOM 724 CD1 LEU A 45 -0.331 -17.255 7.470 1.00 0.00 C ATOM 725 CD2 LEU A 45 1.371 -18.082 9.169 1.00 0.00 C ATOM 0 H LEU A 45 1.284 -20.880 5.717 1.00 0.00 H new ATOM 0 HA LEU A 45 1.213 -21.372 8.589 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.888 -19.673 7.178 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.562 -19.769 8.897 1.00 0.00 H new ATOM 0 HG LEU A 45 1.434 -18.393 7.085 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.190 -16.299 7.421 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.769 -17.480 6.497 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.121 -17.200 8.219 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.894 -17.128 9.107 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.640 -18.043 9.976 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.090 -18.877 9.369 1.00 0.00 H new ATOM 737 N LEU A 46 -0.257 -22.627 6.061 1.00 0.00 N ATOM 738 CA LEU A 46 -1.286 -23.434 5.384 1.00 0.00 C ATOM 739 C LEU A 46 -0.811 -24.023 4.046 1.00 0.00 C ATOM 740 O LEU A 46 0.301 -23.713 3.644 1.00 0.00 O ATOM 741 CB LEU A 46 -2.580 -22.599 5.212 1.00 0.00 C ATOM 742 CG LEU A 46 -2.520 -21.109 4.766 1.00 0.00 C ATOM 743 CD1 LEU A 46 -3.065 -20.215 5.877 1.00 0.00 C ATOM 744 CD2 LEU A 46 -1.206 -20.499 4.226 1.00 0.00 C ATOM 0 H LEU A 46 0.567 -22.483 5.477 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.497 -24.293 6.021 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.205 -23.124 4.489 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.106 -22.626 6.166 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.135 -21.140 3.866 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.021 -19.173 5.560 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.099 -20.487 6.088 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.464 -20.346 6.777 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.369 -19.452 3.970 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.432 -20.569 4.990 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.890 -21.045 3.337 1.00 0.00 H new ATOM 756 N VAL A 47 -1.635 -24.846 3.365 1.00 0.00 N ATOM 757 CA VAL A 47 -1.378 -25.481 2.046 1.00 0.00 C ATOM 758 C VAL A 47 -2.642 -25.536 1.173 1.00 0.00 C ATOM 759 O VAL A 47 -3.760 -25.774 1.644 1.00 0.00 O ATOM 760 CB VAL A 47 -0.808 -26.906 2.211 1.00 0.00 C ATOM 761 CG1 VAL A 47 -0.829 -27.797 0.957 1.00 0.00 C ATOM 762 CG2 VAL A 47 0.652 -26.823 2.616 1.00 0.00 C ATOM 0 H VAL A 47 -2.549 -25.103 3.737 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.641 -24.855 1.544 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.465 -27.358 2.954 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.404 -28.772 1.196 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.857 -27.923 0.617 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.241 -27.328 0.168 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.055 -27.829 2.733 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.214 -26.294 1.846 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.738 -26.286 3.561 1.00 0.00 H new ATOM 772 N GLN A 48 -2.430 -25.288 -0.120 1.00 0.00 N ATOM 773 CA GLN A 48 -3.403 -25.322 -1.216 1.00 0.00 C ATOM 774 C GLN A 48 -4.163 -26.656 -1.243 1.00 0.00 C ATOM 775 O GLN A 48 -3.554 -27.710 -1.389 1.00 0.00 O ATOM 776 CB GLN A 48 -2.658 -25.090 -2.541 1.00 0.00 C ATOM 777 CG GLN A 48 -2.055 -23.679 -2.639 1.00 0.00 C ATOM 778 CD GLN A 48 -0.970 -23.607 -3.711 1.00 0.00 C ATOM 779 OE1 GLN A 48 0.149 -24.041 -3.510 1.00 0.00 O ATOM 780 NE2 GLN A 48 -1.222 -23.065 -4.886 1.00 0.00 N ATOM 0 H GLN A 48 -1.500 -25.038 -0.456 1.00 0.00 H new ATOM 0 HA GLN A 48 -4.143 -24.535 -1.067 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -1.863 -25.829 -2.641 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -3.345 -25.246 -3.373 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -2.842 -22.961 -2.868 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -1.634 -23.394 -1.675 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -2.150 -22.692 -5.087 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -0.489 -23.019 -5.594 1.00 0.00 H new ATOM 789 N ASN A 49 -5.492 -26.599 -1.096 1.00 0.00 N ATOM 790 CA ASN A 49 -6.422 -27.733 -1.031 1.00 0.00 C ATOM 791 C ASN A 49 -5.960 -28.948 -0.174 1.00 0.00 C ATOM 792 O ASN A 49 -6.451 -30.052 -0.364 1.00 0.00 O ATOM 793 CB ASN A 49 -6.756 -28.076 -2.490 1.00 0.00 C ATOM 794 CG ASN A 49 -7.893 -29.069 -2.605 1.00 0.00 C ATOM 795 OD1 ASN A 49 -8.996 -28.807 -2.159 1.00 0.00 O ATOM 796 ND2 ASN A 49 -7.658 -30.227 -3.170 1.00 0.00 N ATOM 0 H ASN A 49 -5.977 -25.705 -1.014 1.00 0.00 H new ATOM 0 HA ASN A 49 -7.314 -27.444 -0.475 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -7.020 -27.163 -3.024 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -5.870 -28.485 -2.976 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -8.403 -30.921 -3.240 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -6.730 -30.435 -3.540 1.00 0.00 H new ATOM 803 N ALA A 50 -5.075 -28.746 0.811 1.00 0.00 N ATOM 804 CA ALA A 50 -4.325 -29.781 1.544 1.00 0.00 C ATOM 805 C ALA A 50 -5.024 -31.110 1.913 1.00 0.00 C ATOM 806 O ALA A 50 -4.390 -32.160 1.890 1.00 0.00 O ATOM 807 CB ALA A 50 -3.743 -29.092 2.780 1.00 0.00 C ATOM 0 H ALA A 50 -4.849 -27.806 1.137 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.581 -30.157 0.841 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.174 -29.814 3.365 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.087 -28.279 2.468 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.554 -28.691 3.388 1.00 0.00 H new ATOM 813 N ASN A 51 -6.296 -31.027 2.304 1.00 0.00 N ATOM 814 CA ASN A 51 -7.295 -32.090 2.525 1.00 0.00 C ATOM 815 C ASN A 51 -8.531 -31.453 3.196 1.00 0.00 C ATOM 816 O ASN A 51 -8.463 -30.276 3.574 1.00 0.00 O ATOM 817 CB ASN A 51 -6.730 -33.264 3.368 1.00 0.00 C ATOM 818 CG ASN A 51 -6.623 -34.567 2.584 1.00 0.00 C ATOM 819 OD1 ASN A 51 -7.333 -34.812 1.622 1.00 0.00 O ATOM 820 ND2 ASN A 51 -5.729 -35.443 2.961 1.00 0.00 N ATOM 0 H ASN A 51 -6.704 -30.112 2.497 1.00 0.00 H new ATOM 0 HA ASN A 51 -7.574 -32.526 1.566 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -5.744 -32.991 3.744 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -7.370 -33.421 4.236 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -5.630 -36.322 2.452 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -5.131 -35.248 3.764 1.00 0.00 H new ATOM 827 N PRO A 52 -9.669 -32.149 3.389 1.00 0.00 N ATOM 828 CA PRO A 52 -10.740 -31.620 4.233 1.00 0.00 C ATOM 829 C PRO A 52 -10.318 -31.544 5.718 1.00 0.00 C ATOM 830 O PRO A 52 -10.603 -30.543 6.401 1.00 0.00 O ATOM 831 CB PRO A 52 -11.937 -32.551 4.004 1.00 0.00 C ATOM 832 CG PRO A 52 -11.322 -33.873 3.546 1.00 0.00 C ATOM 833 CD PRO A 52 -10.017 -33.465 2.863 1.00 0.00 C ATOM 0 HA PRO A 52 -10.991 -30.592 3.971 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -12.518 -32.680 4.917 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -12.613 -32.147 3.251 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -11.139 -34.540 4.389 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.982 -34.402 2.859 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.228 -34.187 3.071 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.140 -33.430 1.781 1.00 0.00 H new ATOM 841 N ASP A 53 -9.612 -32.589 6.152 1.00 0.00 N ATOM 842 CA ASP A 53 -9.283 -32.943 7.535 1.00 0.00 C ATOM 843 C ASP A 53 -8.402 -31.919 8.234 1.00 0.00 C ATOM 844 O ASP A 53 -8.826 -31.355 9.240 1.00 0.00 O ATOM 845 CB ASP A 53 -8.617 -34.333 7.574 1.00 0.00 C ATOM 846 CG ASP A 53 -9.253 -35.281 6.564 1.00 0.00 C ATOM 847 OD1 ASP A 53 -10.296 -35.875 6.895 1.00 0.00 O ATOM 848 OD2 ASP A 53 -8.758 -35.256 5.415 1.00 0.00 O ATOM 0 H ASP A 53 -9.224 -33.264 5.493 1.00 0.00 H new ATOM 0 HA ASP A 53 -10.224 -32.959 8.084 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.552 -34.234 7.363 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -8.706 -34.753 8.576 1.00 0.00 H new ATOM 853 N CYS A 54 -7.217 -31.618 7.677 1.00 0.00 N ATOM 854 CA CYS A 54 -6.297 -30.612 8.223 1.00 0.00 C ATOM 855 C CYS A 54 -7.044 -29.336 8.621 1.00 0.00 C ATOM 856 O CYS A 54 -7.095 -28.979 9.791 1.00 0.00 O ATOM 857 CB CYS A 54 -5.174 -30.288 7.219 1.00 0.00 C ATOM 858 SG CYS A 54 -5.816 -30.239 5.522 1.00 0.00 S ATOM 0 H CYS A 54 -6.871 -32.070 6.831 1.00 0.00 H new ATOM 0 HA CYS A 54 -5.844 -31.033 9.120 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -4.723 -29.328 7.469 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -4.387 -31.039 7.293 1.00 0.00 H new ATOM 0 HG CYS A 54 -4.949 -30.774 4.714 1.00 0.00 H new ATOM 864 N LYS A 55 -7.700 -28.677 7.669 1.00 0.00 N ATOM 865 CA LYS A 55 -8.541 -27.498 7.887 1.00 0.00 C ATOM 866 C LYS A 55 -9.418 -27.598 9.133 1.00 0.00 C ATOM 867 O LYS A 55 -9.368 -26.705 9.967 1.00 0.00 O ATOM 868 CB LYS A 55 -9.445 -27.346 6.676 1.00 0.00 C ATOM 869 CG LYS A 55 -8.626 -27.510 5.391 1.00 0.00 C ATOM 870 CD LYS A 55 -9.287 -27.195 4.065 1.00 0.00 C ATOM 871 CE LYS A 55 -10.501 -28.022 3.592 1.00 0.00 C ATOM 872 NZ LYS A 55 -11.537 -28.278 4.628 1.00 0.00 N ATOM 0 H LYS A 55 -7.661 -28.958 6.689 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.880 -26.643 8.031 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.240 -28.091 6.709 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -9.925 -26.367 6.690 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.742 -26.878 5.479 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.277 -28.542 5.350 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -9.599 -26.151 4.098 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -8.521 -27.274 3.294 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -10.968 -27.504 2.754 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -10.143 -28.980 3.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -12.431 -28.543 4.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -11.224 -29.052 5.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -11.681 -27.418 5.195 1.00 0.00 H new ATOM 886 N THR A 56 -10.216 -28.670 9.246 1.00 0.00 N ATOM 887 CA THR A 56 -11.110 -28.855 10.404 1.00 0.00 C ATOM 888 C THR A 56 -10.402 -29.255 11.713 1.00 0.00 C ATOM 889 O THR A 56 -11.055 -29.302 12.755 1.00 0.00 O ATOM 890 CB THR A 56 -12.306 -29.764 10.076 1.00 0.00 C ATOM 891 OG1 THR A 56 -13.310 -29.559 11.036 1.00 0.00 O ATOM 892 CG2 THR A 56 -12.016 -31.259 9.987 1.00 0.00 C ATOM 0 H THR A 56 -10.262 -29.419 8.555 1.00 0.00 H new ATOM 0 HA THR A 56 -11.505 -27.860 10.609 1.00 0.00 H new ATOM 0 HB THR A 56 -12.609 -29.473 9.070 1.00 0.00 H new ATOM 0 HG1 THR A 56 -12.899 -29.409 11.913 1.00 0.00 H new ATOM 0 HG21 THR A 56 -12.936 -31.795 9.751 1.00 0.00 H new ATOM 0 HG22 THR A 56 -11.279 -31.441 9.205 1.00 0.00 H new ATOM 0 HG23 THR A 56 -11.626 -31.611 10.942 1.00 0.00 H new ATOM 900 N ILE A 57 -9.087 -29.496 11.683 1.00 0.00 N ATOM 901 CA ILE A 57 -8.266 -29.850 12.863 1.00 0.00 C ATOM 902 C ILE A 57 -7.399 -28.668 13.315 1.00 0.00 C ATOM 903 O ILE A 57 -7.592 -28.158 14.420 1.00 0.00 O ATOM 904 CB ILE A 57 -7.402 -31.095 12.565 1.00 0.00 C ATOM 905 CG1 ILE A 57 -8.305 -32.327 12.342 1.00 0.00 C ATOM 906 CG2 ILE A 57 -6.398 -31.393 13.698 1.00 0.00 C ATOM 907 CD1 ILE A 57 -7.596 -33.387 11.500 1.00 0.00 C ATOM 0 H ILE A 57 -8.544 -29.451 10.821 1.00 0.00 H new ATOM 0 HA ILE A 57 -8.940 -30.091 13.685 1.00 0.00 H new ATOM 0 HB ILE A 57 -6.832 -30.881 11.661 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -8.588 -32.753 13.305 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -9.226 -32.021 11.846 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -5.813 -32.277 13.443 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -5.730 -30.541 13.826 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -6.940 -31.572 14.627 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -8.257 -34.242 11.360 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -7.336 -32.966 10.529 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -6.688 -33.709 12.010 1.00 0.00 H new ATOM 919 N LEU A 58 -6.487 -28.171 12.465 1.00 0.00 N ATOM 920 CA LEU A 58 -5.664 -26.991 12.761 1.00 0.00 C ATOM 921 C LEU A 58 -6.493 -25.757 13.115 1.00 0.00 C ATOM 922 O LEU A 58 -6.039 -24.919 13.886 1.00 0.00 O ATOM 923 CB LEU A 58 -4.744 -26.632 11.589 1.00 0.00 C ATOM 924 CG LEU A 58 -3.721 -27.720 11.239 1.00 0.00 C ATOM 925 CD1 LEU A 58 -4.230 -28.728 10.217 1.00 0.00 C ATOM 926 CD2 LEU A 58 -2.472 -27.069 10.651 1.00 0.00 C ATOM 0 H LEU A 58 -6.300 -28.579 11.549 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.070 -27.273 13.630 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.356 -26.428 10.710 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.212 -25.711 11.828 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.516 -28.252 12.168 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.454 -29.467 10.018 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.116 -29.228 10.609 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.485 -28.211 9.292 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.743 -27.840 10.401 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.739 -26.517 9.750 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.040 -26.385 11.381 1.00 0.00 H new ATOM 938 N LYS A 59 -7.736 -25.680 12.624 1.00 0.00 N ATOM 939 CA LYS A 59 -8.715 -24.666 13.069 1.00 0.00 C ATOM 940 C LYS A 59 -8.806 -24.487 14.587 1.00 0.00 C ATOM 941 O LYS A 59 -9.083 -23.375 15.031 1.00 0.00 O ATOM 942 CB LYS A 59 -10.105 -24.921 12.485 1.00 0.00 C ATOM 943 CG LYS A 59 -10.346 -24.055 11.236 1.00 0.00 C ATOM 944 CD LYS A 59 -11.289 -22.849 11.427 1.00 0.00 C ATOM 945 CE LYS A 59 -11.198 -22.028 12.728 1.00 0.00 C ATOM 946 NZ LYS A 59 -9.841 -21.531 13.037 1.00 0.00 N ATOM 0 H LYS A 59 -8.096 -26.313 11.910 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.325 -23.727 12.676 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.207 -25.975 12.226 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.864 -24.702 13.236 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -9.383 -23.687 10.881 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -10.754 -24.690 10.450 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.122 -22.166 10.594 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -12.312 -23.214 11.339 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -11.876 -21.178 12.656 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -11.545 -22.644 13.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -9.900 -20.550 13.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -9.412 -22.128 13.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -9.255 -21.564 12.178 1.00 0.00 H new ATOM 960 N ALA A 60 -8.566 -25.555 15.337 1.00 0.00 N ATOM 961 CA ALA A 60 -8.349 -25.521 16.783 1.00 0.00 C ATOM 962 C ALA A 60 -6.853 -25.680 17.142 1.00 0.00 C ATOM 963 O ALA A 60 -6.387 -25.103 18.122 1.00 0.00 O ATOM 964 CB ALA A 60 -9.196 -26.627 17.421 1.00 0.00 C ATOM 0 H ALA A 60 -8.515 -26.497 14.948 1.00 0.00 H new ATOM 0 HA ALA A 60 -8.654 -24.550 17.173 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -9.050 -26.620 18.501 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -10.249 -26.454 17.196 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -8.893 -27.594 17.020 1.00 0.00 H new ATOM 970 N LEU A 61 -6.079 -26.408 16.329 1.00 0.00 N ATOM 971 CA LEU A 61 -4.697 -26.810 16.597 1.00 0.00 C ATOM 972 C LEU A 61 -3.649 -25.874 15.954 1.00 0.00 C ATOM 973 O LEU A 61 -2.716 -26.303 15.277 1.00 0.00 O ATOM 974 CB LEU A 61 -4.537 -28.317 16.286 1.00 0.00 C ATOM 975 CG LEU A 61 -4.010 -29.114 17.497 1.00 0.00 C ATOM 976 CD1 LEU A 61 -5.050 -29.218 18.620 1.00 0.00 C ATOM 977 CD2 LEU A 61 -3.638 -30.540 17.097 1.00 0.00 C ATOM 0 H LEU A 61 -6.415 -26.747 15.428 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.482 -26.686 17.658 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.499 -28.726 15.976 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.853 -28.441 15.447 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.136 -28.568 17.852 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.633 -29.788 19.450 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.316 -28.218 18.963 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.941 -29.722 18.245 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.270 -31.078 17.970 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.518 -31.048 16.702 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.861 -30.513 16.333 1.00 0.00 H new ATOM 989 N GLY A 62 -3.750 -24.580 16.270 1.00 0.00 N ATOM 990 CA GLY A 62 -2.744 -23.554 15.950 1.00 0.00 C ATOM 991 C GLY A 62 -1.950 -23.035 17.161 1.00 0.00 C ATOM 992 O GLY A 62 -1.925 -21.821 17.368 1.00 0.00 O ATOM 0 H GLY A 62 -4.555 -24.203 16.770 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.044 -23.965 15.222 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -3.243 -22.711 15.471 1.00 0.00 H new ATOM 996 N PRO A 63 -1.277 -23.888 17.971 1.00 0.00 N ATOM 997 CA PRO A 63 -0.432 -23.475 19.100 1.00 0.00 C ATOM 998 C PRO A 63 0.948 -22.952 18.634 1.00 0.00 C ATOM 999 O PRO A 63 1.980 -23.318 19.188 1.00 0.00 O ATOM 1000 CB PRO A 63 -0.328 -24.736 19.970 1.00 0.00 C ATOM 1001 CG PRO A 63 -0.208 -25.827 18.911 1.00 0.00 C ATOM 1002 CD PRO A 63 -1.179 -25.340 17.837 1.00 0.00 C ATOM 0 HA PRO A 63 -0.854 -22.635 19.652 1.00 0.00 H new ATOM 0 HB2 PRO A 63 0.539 -24.708 20.630 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -1.206 -24.872 20.602 1.00 0.00 H new ATOM 0 HG2 PRO A 63 0.810 -25.915 18.530 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -0.489 -26.806 19.301 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -0.822 -25.612 16.844 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.157 -25.805 17.963 1.00 0.00 H new ATOM 1010 N ALA A 64 0.972 -22.164 17.554 1.00 0.00 N ATOM 1011 CA ALA A 64 2.137 -21.471 16.979 1.00 0.00 C ATOM 1012 C ALA A 64 3.380 -22.301 16.560 1.00 0.00 C ATOM 1013 O ALA A 64 4.305 -21.709 16.020 1.00 0.00 O ATOM 1014 CB ALA A 64 2.501 -20.295 17.900 1.00 0.00 C ATOM 0 H ALA A 64 0.123 -21.979 17.020 1.00 0.00 H new ATOM 0 HA ALA A 64 1.800 -21.142 15.996 1.00 0.00 H new ATOM 0 HB1 ALA A 64 3.363 -19.767 17.492 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.655 -19.611 17.968 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.743 -20.672 18.893 1.00 0.00 H new ATOM 1020 N ALA A 65 3.403 -23.629 16.730 1.00 0.00 N ATOM 1021 CA ALA A 65 4.495 -24.493 16.244 1.00 0.00 C ATOM 1022 C ALA A 65 3.994 -25.818 15.650 1.00 0.00 C ATOM 1023 O ALA A 65 4.363 -26.180 14.543 1.00 0.00 O ATOM 1024 CB ALA A 65 5.482 -24.730 17.393 1.00 0.00 C ATOM 0 H ALA A 65 2.663 -24.140 17.210 1.00 0.00 H new ATOM 0 HA ALA A 65 4.997 -23.981 15.423 1.00 0.00 H new ATOM 0 HB1 ALA A 65 6.296 -25.368 17.048 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.887 -23.775 17.728 1.00 0.00 H new ATOM 0 HB3 ALA A 65 4.966 -25.216 18.221 1.00 0.00 H new ATOM 1030 N THR A 66 3.052 -26.518 16.295 1.00 0.00 N ATOM 1031 CA THR A 66 2.513 -27.796 15.770 1.00 0.00 C ATOM 1032 C THR A 66 1.910 -27.695 14.356 1.00 0.00 C ATOM 1033 O THR A 66 1.787 -28.688 13.657 1.00 0.00 O ATOM 1034 CB THR A 66 1.483 -28.395 16.742 1.00 0.00 C ATOM 1035 OG1 THR A 66 1.951 -28.280 18.068 1.00 0.00 O ATOM 1036 CG2 THR A 66 1.218 -29.880 16.518 1.00 0.00 C ATOM 0 H THR A 66 2.642 -26.227 17.183 1.00 0.00 H new ATOM 0 HA THR A 66 3.374 -28.459 15.686 1.00 0.00 H new ATOM 0 HB THR A 66 0.564 -27.837 16.563 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.290 -28.662 18.683 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.481 -30.231 17.241 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.837 -30.033 15.508 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.146 -30.438 16.645 1.00 0.00 H new ATOM 1044 N LEU A 67 1.568 -26.507 13.865 1.00 0.00 N ATOM 1045 CA LEU A 67 1.140 -26.324 12.474 1.00 0.00 C ATOM 1046 C LEU A 67 2.131 -26.916 11.459 1.00 0.00 C ATOM 1047 O LEU A 67 1.723 -27.602 10.528 1.00 0.00 O ATOM 1048 CB LEU A 67 0.960 -24.831 12.267 1.00 0.00 C ATOM 1049 CG LEU A 67 0.205 -24.323 11.017 1.00 0.00 C ATOM 1050 CD1 LEU A 67 0.663 -22.878 10.848 1.00 0.00 C ATOM 1051 CD2 LEU A 67 0.457 -25.113 9.747 1.00 0.00 C ATOM 0 H LEU A 67 1.578 -25.647 14.413 1.00 0.00 H new ATOM 0 HA LEU A 67 0.209 -26.863 12.301 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.443 -24.439 13.143 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.952 -24.381 12.255 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.868 -24.433 11.174 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.172 -22.440 9.979 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.401 -22.307 11.739 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.743 -22.853 10.706 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.117 -24.679 8.928 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.519 -25.081 9.503 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.150 -26.148 9.896 1.00 0.00 H new ATOM 1063 N GLU A 68 3.423 -26.682 11.637 1.00 0.00 N ATOM 1064 CA GLU A 68 4.473 -27.192 10.740 1.00 0.00 C ATOM 1065 C GLU A 68 4.355 -28.697 10.449 1.00 0.00 C ATOM 1066 O GLU A 68 4.512 -29.133 9.306 1.00 0.00 O ATOM 1067 CB GLU A 68 5.853 -26.952 11.385 1.00 0.00 C ATOM 1068 CG GLU A 68 6.123 -25.513 11.821 1.00 0.00 C ATOM 1069 CD GLU A 68 7.433 -25.403 12.627 1.00 0.00 C ATOM 1070 OE1 GLU A 68 8.505 -25.715 12.062 1.00 0.00 O ATOM 1071 OE2 GLU A 68 7.351 -25.009 13.813 1.00 0.00 O ATOM 0 H GLU A 68 3.785 -26.128 12.413 1.00 0.00 H new ATOM 0 HA GLU A 68 4.355 -26.656 9.798 1.00 0.00 H new ATOM 0 HB2 GLU A 68 5.949 -27.603 12.254 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.625 -27.251 10.676 1.00 0.00 H new ATOM 0 HG2 GLU A 68 6.180 -24.870 10.943 1.00 0.00 H new ATOM 0 HG3 GLU A 68 5.291 -25.153 12.426 1.00 0.00 H new ATOM 1078 N GLU A 69 4.005 -29.489 11.470 1.00 0.00 N ATOM 1079 CA GLU A 69 3.667 -30.903 11.240 1.00 0.00 C ATOM 1080 C GLU A 69 2.289 -31.071 10.599 1.00 0.00 C ATOM 1081 O GLU A 69 2.125 -31.874 9.686 1.00 0.00 O ATOM 1082 CB GLU A 69 3.775 -31.760 12.512 1.00 0.00 C ATOM 1083 CG GLU A 69 2.800 -31.414 13.644 1.00 0.00 C ATOM 1084 CD GLU A 69 2.575 -32.565 14.627 1.00 0.00 C ATOM 1085 OE1 GLU A 69 3.556 -32.984 15.279 1.00 0.00 O ATOM 1086 OE2 GLU A 69 1.399 -32.976 14.753 1.00 0.00 O ATOM 0 H GLU A 69 3.948 -29.186 12.442 1.00 0.00 H new ATOM 0 HA GLU A 69 4.416 -31.268 10.537 1.00 0.00 H new ATOM 0 HB2 GLU A 69 3.624 -32.804 12.236 1.00 0.00 H new ATOM 0 HB3 GLU A 69 4.791 -31.676 12.897 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.180 -30.550 14.189 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.843 -31.123 13.212 1.00 0.00 H new ATOM 1093 N MET A 70 1.298 -30.299 11.037 1.00 0.00 N ATOM 1094 CA MET A 70 -0.114 -30.462 10.671 1.00 0.00 C ATOM 1095 C MET A 70 -0.441 -30.164 9.199 1.00 0.00 C ATOM 1096 O MET A 70 -1.368 -30.737 8.620 1.00 0.00 O ATOM 1097 CB MET A 70 -0.914 -29.534 11.538 1.00 0.00 C ATOM 1098 CG MET A 70 -0.956 -29.776 13.025 1.00 0.00 C ATOM 1099 SD MET A 70 -2.413 -30.706 13.571 1.00 0.00 S ATOM 1100 CE MET A 70 -1.603 -32.248 14.077 1.00 0.00 C ATOM 0 H MET A 70 1.455 -29.519 11.675 1.00 0.00 H new ATOM 0 HA MET A 70 -0.360 -31.513 10.820 1.00 0.00 H new ATOM 0 HB2 MET A 70 -0.532 -28.525 11.380 1.00 0.00 H new ATOM 0 HB3 MET A 70 -1.941 -29.547 11.174 1.00 0.00 H new ATOM 0 HG2 MET A 70 -0.058 -30.318 13.321 1.00 0.00 H new ATOM 0 HG3 MET A 70 -0.934 -28.816 13.541 1.00 0.00 H new ATOM 0 HE1 MET A 70 -2.360 -32.997 14.310 1.00 0.00 H new ATOM 0 HE2 MET A 70 -0.972 -32.611 13.266 1.00 0.00 H new ATOM 0 HE3 MET A 70 -0.990 -32.064 14.959 1.00 0.00 H new ATOM 1110 N MET A 71 0.350 -29.258 8.623 1.00 0.00 N ATOM 1111 CA MET A 71 0.391 -28.895 7.200 1.00 0.00 C ATOM 1112 C MET A 71 0.754 -30.118 6.342 1.00 0.00 C ATOM 1113 O MET A 71 0.046 -30.441 5.393 1.00 0.00 O ATOM 1114 CB MET A 71 1.354 -27.691 7.000 1.00 0.00 C ATOM 1115 CG MET A 71 1.869 -27.530 5.556 1.00 0.00 C ATOM 1116 SD MET A 71 3.417 -28.432 5.255 1.00 0.00 S ATOM 1117 CE MET A 71 3.626 -28.232 3.473 1.00 0.00 C ATOM 0 H MET A 71 1.023 -28.722 9.170 1.00 0.00 H new ATOM 0 HA MET A 71 -0.595 -28.575 6.864 1.00 0.00 H new ATOM 0 HB2 MET A 71 0.841 -26.776 7.295 1.00 0.00 H new ATOM 0 HB3 MET A 71 2.208 -27.807 7.668 1.00 0.00 H new ATOM 0 HG2 MET A 71 1.107 -27.884 4.862 1.00 0.00 H new ATOM 0 HG3 MET A 71 2.024 -26.472 5.346 1.00 0.00 H new ATOM 0 HE1 MET A 71 4.684 -28.304 3.220 1.00 0.00 H new ATOM 0 HE2 MET A 71 3.075 -29.015 2.952 1.00 0.00 H new ATOM 0 HE3 MET A 71 3.246 -27.257 3.169 1.00 0.00 H new ATOM 1127 N THR A 72 1.822 -30.827 6.699 1.00 0.00 N ATOM 1128 CA THR A 72 2.243 -32.079 6.043 1.00 0.00 C ATOM 1129 C THR A 72 1.403 -33.286 6.457 1.00 0.00 C ATOM 1130 O THR A 72 1.187 -34.188 5.646 1.00 0.00 O ATOM 1131 CB THR A 72 3.666 -32.418 6.495 1.00 0.00 C ATOM 1132 OG1 THR A 72 4.569 -31.364 6.236 1.00 0.00 O ATOM 1133 CG2 THR A 72 4.276 -33.649 5.819 1.00 0.00 C ATOM 0 H THR A 72 2.435 -30.549 7.465 1.00 0.00 H new ATOM 0 HA THR A 72 2.143 -31.907 4.971 1.00 0.00 H new ATOM 0 HB THR A 72 3.540 -32.608 7.561 1.00 0.00 H new ATOM 0 HG1 THR A 72 4.090 -30.617 5.820 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.284 -33.812 6.201 1.00 0.00 H new ATOM 0 HG22 THR A 72 3.661 -34.523 6.033 1.00 0.00 H new ATOM 0 HG23 THR A 72 4.318 -33.489 4.742 1.00 0.00 H new ATOM 1141 N ALA A 73 0.920 -33.328 7.705 1.00 0.00 N ATOM 1142 CA ALA A 73 0.309 -34.522 8.292 1.00 0.00 C ATOM 1143 C ALA A 73 -0.868 -35.012 7.449 1.00 0.00 C ATOM 1144 O ALA A 73 -1.064 -36.211 7.255 1.00 0.00 O ATOM 1145 CB ALA A 73 -0.135 -34.214 9.728 1.00 0.00 C ATOM 0 H ALA A 73 0.943 -32.528 8.338 1.00 0.00 H new ATOM 0 HA ALA A 73 1.048 -35.323 8.311 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.590 -35.102 10.166 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.731 -33.919 10.321 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.861 -33.401 9.718 1.00 0.00 H new ATOM 1151 N CYS A 74 -1.607 -34.064 6.871 1.00 0.00 N ATOM 1152 CA CYS A 74 -2.737 -34.421 6.021 1.00 0.00 C ATOM 1153 C CYS A 74 -2.349 -34.978 4.639 1.00 0.00 C ATOM 1154 O CYS A 74 -3.117 -35.769 4.102 1.00 0.00 O ATOM 1155 CB CYS A 74 -3.677 -33.228 5.936 1.00 0.00 C ATOM 1156 SG CYS A 74 -2.973 -31.962 4.844 1.00 0.00 S ATOM 0 H CYS A 74 -1.446 -33.062 6.974 1.00 0.00 H new ATOM 0 HA CYS A 74 -3.252 -35.261 6.488 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -4.649 -33.546 5.559 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -3.841 -32.812 6.930 1.00 0.00 H new ATOM 0 HG CYS A 74 -3.387 -32.159 3.628 1.00 0.00 H new ATOM 1162 N GLN A 75 -1.182 -34.642 4.065 1.00 0.00 N ATOM 1163 CA GLN A 75 -0.773 -35.171 2.757 1.00 0.00 C ATOM 1164 C GLN A 75 -0.069 -36.540 2.856 1.00 0.00 C ATOM 1165 O GLN A 75 0.124 -37.219 1.849 1.00 0.00 O ATOM 1166 CB GLN A 75 0.041 -34.108 1.999 1.00 0.00 C ATOM 1167 CG GLN A 75 1.545 -34.079 2.279 1.00 0.00 C ATOM 1168 CD GLN A 75 2.260 -33.140 1.309 1.00 0.00 C ATOM 1169 OE1 GLN A 75 2.755 -32.087 1.674 1.00 0.00 O ATOM 1170 NE2 GLN A 75 2.335 -33.462 0.029 1.00 0.00 N ATOM 0 H GLN A 75 -0.506 -34.006 4.488 1.00 0.00 H new ATOM 0 HA GLN A 75 -1.669 -35.378 2.172 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -0.105 -34.263 0.930 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -0.370 -33.127 2.238 1.00 0.00 H new ATOM 0 HG2 GLN A 75 1.722 -33.754 3.304 1.00 0.00 H new ATOM 0 HG3 GLN A 75 1.956 -35.085 2.188 1.00 0.00 H new ATOM 0 HE21 GLN A 75 1.929 -34.337 -0.301 1.00 0.00 H new ATOM 0 HE22 GLN A 75 2.799 -32.835 -0.628 1.00 0.00 H new