USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 559 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 43 ASN : amide:sc= -2.77 K(o=-2.6,f=-11!) USER MOD Set 2.2: A 44 CYS SG : rot -45:sc= 0.121 USER MOD Single : A 36 LYS NZ :NH3+ -160:sc= -0.388 (180deg=-1.42!) USER MOD Single : A 38 LYS NZ :NH3+ -152:sc= -0.353 (180deg=-1.61!) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN :FLIP amide:sc= -0.0741 F(o=-1.7!,f=-0.074) USER MOD Single : A 50 CYS SG : rot 52:sc= -2.74! USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot -45:sc= -1.57 USER MOD Single : A 61 MET CE :methyl 167:sc= -0.393 (180deg=-0.885) USER MOD Single : A 67 SER OG : rot -21:sc= -0.4 USER MOD Single : A 68 GLN :FLIP amide:sc= -0.581 F(o=-1.1,f=-0.58) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 ASN :FLIP amide:sc= 0 F(o=-0.62,f=0) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -0.278 K(o=-0.28,f=-2.1!) USER MOD Single : A 77 HIS : no HD1:sc=-0.00319 X(o=-0.0032,f=-0.28) USER MOD Single : A 90 LYS NZ :NH3+ 146:sc= -6.85! (180deg=-8.2!) USER MOD ----------------------------------------------------------------- ATOM 67 N ARG A 20 -11.582 -2.467 -16.081 1.00 0.00 N ATOM 68 CA ARG A 20 -11.823 -2.544 -14.611 1.00 0.00 C ATOM 69 C ARG A 20 -11.465 -1.200 -13.936 1.00 0.00 C ATOM 70 O ARG A 20 -10.315 -0.947 -13.639 1.00 0.00 O ATOM 71 CB ARG A 20 -10.909 -3.644 -14.032 1.00 0.00 C ATOM 72 CG ARG A 20 -11.286 -4.997 -14.654 1.00 0.00 C ATOM 73 CD ARG A 20 -12.429 -5.626 -13.849 1.00 0.00 C ATOM 74 NE ARG A 20 -11.864 -6.656 -12.929 1.00 0.00 N ATOM 75 CZ ARG A 20 -11.397 -7.773 -13.423 1.00 0.00 C ATOM 76 NH1 ARG A 20 -11.418 -7.951 -14.716 1.00 0.00 N ATOM 77 NH2 ARG A 20 -10.929 -8.676 -12.605 1.00 0.00 N ATOM 0 HA ARG A 20 -12.874 -2.766 -14.426 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.865 -3.413 -14.242 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -11.014 -3.687 -12.948 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -11.589 -4.861 -15.692 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -10.422 -5.661 -14.659 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -12.955 -4.860 -13.279 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -13.158 -6.080 -14.521 1.00 0.00 H new ATOM 0 HE ARG A 20 -11.842 -6.490 -11.923 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -11.795 -7.224 -15.325 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.058 -8.817 -15.118 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.932 -8.504 -11.600 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.560 -9.554 -12.971 1.00 0.00 H new ATOM 91 N PRO A 21 -12.474 -0.359 -13.706 1.00 0.00 N ATOM 92 CA PRO A 21 -12.255 0.949 -13.074 1.00 0.00 C ATOM 93 C PRO A 21 -11.702 0.822 -11.657 1.00 0.00 C ATOM 94 O PRO A 21 -10.538 1.089 -11.424 1.00 0.00 O ATOM 95 CB PRO A 21 -13.652 1.604 -13.026 1.00 0.00 C ATOM 96 CG PRO A 21 -14.653 0.622 -13.709 1.00 0.00 C ATOM 97 CD PRO A 21 -13.873 -0.656 -14.058 1.00 0.00 C ATOM 0 HA PRO A 21 -11.523 1.530 -13.634 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -13.949 1.799 -11.996 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -13.644 2.564 -13.542 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -15.484 0.395 -13.042 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -15.079 1.070 -14.607 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -14.248 -1.512 -13.497 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -13.970 -0.901 -15.116 1.00 0.00 H new ATOM 105 N GLU A 22 -12.557 0.431 -10.735 1.00 0.00 N ATOM 106 CA GLU A 22 -12.118 0.275 -9.323 1.00 0.00 C ATOM 107 C GLU A 22 -10.692 -0.222 -9.247 1.00 0.00 C ATOM 108 O GLU A 22 -9.928 0.181 -8.392 1.00 0.00 O ATOM 109 CB GLU A 22 -13.037 -0.755 -8.657 1.00 0.00 C ATOM 110 CG GLU A 22 -13.226 -0.374 -7.202 1.00 0.00 C ATOM 111 CD GLU A 22 -13.805 -1.564 -6.433 1.00 0.00 C ATOM 112 OE1 GLU A 22 -13.921 -2.608 -7.056 1.00 0.00 O ATOM 113 OE2 GLU A 22 -14.099 -1.365 -5.265 1.00 0.00 O ATOM 0 H GLU A 22 -13.539 0.215 -10.909 1.00 0.00 H new ATOM 0 HA GLU A 22 -12.170 1.241 -8.822 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -14.000 -0.787 -9.167 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -12.603 -1.752 -8.733 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -12.272 -0.075 -6.767 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -13.895 0.483 -7.124 1.00 0.00 H new ATOM 120 N GLU A 23 -10.363 -1.090 -10.138 1.00 0.00 N ATOM 121 CA GLU A 23 -8.996 -1.634 -10.151 1.00 0.00 C ATOM 122 C GLU A 23 -7.996 -0.533 -10.477 1.00 0.00 C ATOM 123 O GLU A 23 -7.132 -0.223 -9.682 1.00 0.00 O ATOM 124 CB GLU A 23 -8.927 -2.717 -11.233 1.00 0.00 C ATOM 125 CG GLU A 23 -7.635 -3.503 -11.074 1.00 0.00 C ATOM 126 CD GLU A 23 -7.834 -4.596 -10.023 1.00 0.00 C ATOM 127 OE1 GLU A 23 -8.811 -5.315 -10.167 1.00 0.00 O ATOM 128 OE2 GLU A 23 -6.998 -4.654 -9.137 1.00 0.00 O ATOM 0 H GLU A 23 -10.984 -1.449 -10.863 1.00 0.00 H new ATOM 0 HA GLU A 23 -8.752 -2.048 -9.173 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -9.785 -3.384 -11.151 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -8.970 -2.262 -12.223 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.346 -3.947 -12.027 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.826 -2.837 -10.774 1.00 0.00 H new ATOM 135 N ILE A 24 -8.132 0.043 -11.641 1.00 0.00 N ATOM 136 CA ILE A 24 -7.196 1.126 -12.028 1.00 0.00 C ATOM 137 C ILE A 24 -7.218 2.238 -10.991 1.00 0.00 C ATOM 138 O ILE A 24 -6.219 2.887 -10.747 1.00 0.00 O ATOM 139 CB ILE A 24 -7.652 1.694 -13.376 1.00 0.00 C ATOM 140 CG1 ILE A 24 -7.465 0.645 -14.462 1.00 0.00 C ATOM 141 CG2 ILE A 24 -6.784 2.920 -13.726 1.00 0.00 C ATOM 142 CD1 ILE A 24 -7.652 1.302 -15.833 1.00 0.00 C ATOM 0 H ILE A 24 -8.845 -0.190 -12.332 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.184 0.727 -12.096 1.00 0.00 H new ATOM 0 HB ILE A 24 -8.702 1.977 -13.311 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -6.472 0.202 -14.390 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -8.184 -0.163 -14.331 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -7.103 3.330 -14.684 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -6.897 3.679 -12.951 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -5.738 2.619 -13.790 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -7.519 0.555 -16.616 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -8.655 1.724 -15.901 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.915 2.095 -15.960 1.00 0.00 H new ATOM 154 N GLU A 25 -8.360 2.439 -10.396 1.00 0.00 N ATOM 155 CA GLU A 25 -8.462 3.505 -9.377 1.00 0.00 C ATOM 156 C GLU A 25 -7.549 3.214 -8.199 1.00 0.00 C ATOM 157 O GLU A 25 -6.834 4.085 -7.735 1.00 0.00 O ATOM 158 CB GLU A 25 -9.913 3.557 -8.877 1.00 0.00 C ATOM 159 CG GLU A 25 -10.235 4.980 -8.410 1.00 0.00 C ATOM 160 CD GLU A 25 -9.647 5.198 -7.012 1.00 0.00 C ATOM 161 OE1 GLU A 25 -9.784 4.281 -6.220 1.00 0.00 O ATOM 162 OE2 GLU A 25 -9.093 6.269 -6.817 1.00 0.00 O ATOM 0 H GLU A 25 -9.217 1.914 -10.573 1.00 0.00 H new ATOM 0 HA GLU A 25 -8.165 4.455 -9.822 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.595 3.260 -9.673 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.053 2.852 -8.057 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.821 5.707 -9.109 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -11.314 5.134 -8.392 1.00 0.00 H new ATOM 169 N GLU A 26 -7.584 1.999 -7.731 1.00 0.00 N ATOM 170 CA GLU A 26 -6.719 1.649 -6.587 1.00 0.00 C ATOM 171 C GLU A 26 -5.258 1.817 -6.960 1.00 0.00 C ATOM 172 O GLU A 26 -4.499 2.441 -6.245 1.00 0.00 O ATOM 173 CB GLU A 26 -6.982 0.186 -6.208 1.00 0.00 C ATOM 174 CG GLU A 26 -8.283 0.110 -5.407 1.00 0.00 C ATOM 175 CD GLU A 26 -8.057 0.717 -4.021 1.00 0.00 C ATOM 176 OE1 GLU A 26 -7.226 0.167 -3.318 1.00 0.00 O ATOM 177 OE2 GLU A 26 -8.727 1.699 -3.745 1.00 0.00 O ATOM 0 H GLU A 26 -8.169 1.245 -8.090 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.942 2.307 -5.747 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.055 -0.429 -7.105 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.153 -0.206 -5.619 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -9.076 0.647 -5.927 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -8.607 -0.927 -5.315 1.00 0.00 H new ATOM 184 N LEU A 27 -4.883 1.257 -8.076 1.00 0.00 N ATOM 185 CA LEU A 27 -3.476 1.380 -8.504 1.00 0.00 C ATOM 186 C LEU A 27 -3.072 2.841 -8.538 1.00 0.00 C ATOM 187 O LEU A 27 -2.016 3.212 -8.070 1.00 0.00 O ATOM 188 CB LEU A 27 -3.347 0.808 -9.921 1.00 0.00 C ATOM 189 CG LEU A 27 -3.423 -0.713 -9.863 1.00 0.00 C ATOM 190 CD1 LEU A 27 -4.163 -1.216 -11.100 1.00 0.00 C ATOM 191 CD2 LEU A 27 -2.005 -1.287 -9.854 1.00 0.00 C ATOM 0 H LEU A 27 -5.489 0.725 -8.701 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.835 0.841 -7.806 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.142 1.199 -10.556 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.402 1.119 -10.366 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.949 -1.027 -8.962 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.224 -2.304 -11.070 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.169 -0.797 -11.118 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.625 -0.907 -11.996 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.053 -2.375 -9.813 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.483 -0.981 -10.761 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.467 -0.914 -8.982 1.00 0.00 H new ATOM 203 N ARG A 28 -3.929 3.652 -9.087 1.00 0.00 N ATOM 204 CA ARG A 28 -3.609 5.089 -9.159 1.00 0.00 C ATOM 205 C ARG A 28 -3.138 5.595 -7.811 1.00 0.00 C ATOM 206 O ARG A 28 -2.079 6.180 -7.704 1.00 0.00 O ATOM 207 CB ARG A 28 -4.880 5.850 -9.570 1.00 0.00 C ATOM 208 CG ARG A 28 -4.510 7.286 -9.944 1.00 0.00 C ATOM 209 CD ARG A 28 -5.695 7.940 -10.658 1.00 0.00 C ATOM 210 NE ARG A 28 -5.535 9.418 -10.608 1.00 0.00 N ATOM 211 CZ ARG A 28 -6.359 10.125 -9.886 1.00 0.00 C ATOM 212 NH1 ARG A 28 -7.465 10.552 -10.432 1.00 0.00 N ATOM 213 NH2 ARG A 28 -6.051 10.376 -8.645 1.00 0.00 N ATOM 0 H ARG A 28 -4.828 3.379 -9.484 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.814 5.247 -9.887 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.358 5.354 -10.415 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.599 5.849 -8.751 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.251 7.852 -9.049 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -3.632 7.292 -10.590 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.744 7.602 -11.693 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -6.630 7.646 -10.182 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.789 9.874 -11.133 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.671 10.331 -11.406 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -8.123 11.107 -9.884 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.178 10.021 -8.254 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -6.683 10.927 -8.064 1.00 0.00 H new ATOM 227 N GLU A 29 -3.924 5.363 -6.801 1.00 0.00 N ATOM 228 CA GLU A 29 -3.512 5.834 -5.464 1.00 0.00 C ATOM 229 C GLU A 29 -2.201 5.194 -5.068 1.00 0.00 C ATOM 230 O GLU A 29 -1.376 5.812 -4.426 1.00 0.00 O ATOM 231 CB GLU A 29 -4.591 5.444 -4.452 1.00 0.00 C ATOM 232 CG GLU A 29 -5.500 6.652 -4.201 1.00 0.00 C ATOM 233 CD GLU A 29 -5.905 7.276 -5.544 1.00 0.00 C ATOM 234 OE1 GLU A 29 -6.920 6.838 -6.062 1.00 0.00 O ATOM 235 OE2 GLU A 29 -5.178 8.160 -5.970 1.00 0.00 O ATOM 0 H GLU A 29 -4.819 4.875 -6.845 1.00 0.00 H new ATOM 0 HA GLU A 29 -3.385 6.916 -5.483 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.176 4.605 -4.830 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.132 5.118 -3.519 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -6.388 6.344 -3.649 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -4.982 7.389 -3.587 1.00 0.00 H new ATOM 242 N ALA A 30 -2.024 3.964 -5.452 1.00 0.00 N ATOM 243 CA ALA A 30 -0.763 3.289 -5.099 1.00 0.00 C ATOM 244 C ALA A 30 0.386 3.918 -5.867 1.00 0.00 C ATOM 245 O ALA A 30 1.316 4.429 -5.279 1.00 0.00 O ATOM 246 CB ALA A 30 -0.865 1.801 -5.468 1.00 0.00 C ATOM 0 H ALA A 30 -2.691 3.408 -5.987 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.583 3.393 -4.029 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.066 1.297 -5.209 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.689 1.346 -4.919 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.044 1.703 -6.539 1.00 0.00 H new ATOM 252 N PHE A 31 0.305 3.898 -7.172 1.00 0.00 N ATOM 253 CA PHE A 31 1.407 4.503 -7.953 1.00 0.00 C ATOM 254 C PHE A 31 1.653 5.902 -7.465 1.00 0.00 C ATOM 255 O PHE A 31 2.763 6.376 -7.453 1.00 0.00 O ATOM 256 CB PHE A 31 0.991 4.579 -9.434 1.00 0.00 C ATOM 257 CG PHE A 31 2.229 4.853 -10.300 1.00 0.00 C ATOM 258 CD1 PHE A 31 2.825 6.104 -10.322 1.00 0.00 C ATOM 259 CD2 PHE A 31 2.769 3.846 -11.069 1.00 0.00 C ATOM 260 CE1 PHE A 31 3.943 6.328 -11.106 1.00 0.00 C ATOM 261 CE2 PHE A 31 3.880 4.071 -11.846 1.00 0.00 C ATOM 262 CZ PHE A 31 4.467 5.306 -11.865 1.00 0.00 C ATOM 0 H PHE A 31 -0.460 3.497 -7.715 1.00 0.00 H new ATOM 0 HA PHE A 31 2.307 3.898 -7.838 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.520 3.644 -9.739 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.253 5.369 -9.575 1.00 0.00 H new ATOM 0 HD1 PHE A 31 2.416 6.906 -9.726 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.313 2.867 -11.061 1.00 0.00 H new ATOM 0 HE1 PHE A 31 4.404 7.304 -11.122 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.291 3.270 -12.443 1.00 0.00 H new ATOM 0 HZ PHE A 31 5.341 5.479 -12.475 1.00 0.00 H new ATOM 272 N ARG A 32 0.602 6.522 -7.029 1.00 0.00 N ATOM 273 CA ARG A 32 0.728 7.918 -6.523 1.00 0.00 C ATOM 274 C ARG A 32 1.309 7.962 -5.122 1.00 0.00 C ATOM 275 O ARG A 32 2.350 8.550 -4.905 1.00 0.00 O ATOM 276 CB ARG A 32 -0.668 8.548 -6.485 1.00 0.00 C ATOM 277 CG ARG A 32 -1.087 8.941 -7.906 1.00 0.00 C ATOM 278 CD ARG A 32 -0.435 10.276 -8.284 1.00 0.00 C ATOM 279 NE ARG A 32 -0.308 10.346 -9.769 1.00 0.00 N ATOM 280 CZ ARG A 32 0.635 9.667 -10.368 1.00 0.00 C ATOM 281 NH1 ARG A 32 1.833 9.653 -9.851 1.00 0.00 N ATOM 282 NH2 ARG A 32 0.345 9.020 -11.465 1.00 0.00 N ATOM 0 H ARG A 32 -0.339 6.129 -6.999 1.00 0.00 H new ATOM 0 HA ARG A 32 1.399 8.461 -7.189 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.386 7.844 -6.064 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -0.666 9.426 -5.839 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -0.788 8.166 -8.612 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -2.172 9.025 -7.966 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.037 11.107 -7.917 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.546 10.362 -7.817 1.00 0.00 H new ATOM 0 HE ARG A 32 -0.952 10.920 -10.313 1.00 0.00 H new ATOM 0 HH11 ARG A 32 2.023 10.167 -8.991 1.00 0.00 H new ATOM 0 HH12 ARG A 32 2.579 9.128 -10.307 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -0.603 9.050 -11.839 1.00 0.00 H new ATOM 0 HH22 ARG A 32 1.067 8.484 -11.947 1.00 0.00 H new ATOM 296 N GLU A 33 0.621 7.361 -4.190 1.00 0.00 N ATOM 297 CA GLU A 33 1.130 7.365 -2.801 1.00 0.00 C ATOM 298 C GLU A 33 2.617 7.067 -2.788 1.00 0.00 C ATOM 299 O GLU A 33 3.304 7.354 -1.827 1.00 0.00 O ATOM 300 CB GLU A 33 0.396 6.268 -2.019 1.00 0.00 C ATOM 301 CG GLU A 33 0.902 6.253 -0.582 1.00 0.00 C ATOM 302 CD GLU A 33 0.828 7.670 -0.007 1.00 0.00 C ATOM 303 OE1 GLU A 33 -0.284 8.074 0.291 1.00 0.00 O ATOM 304 OE2 GLU A 33 1.886 8.266 0.101 1.00 0.00 O ATOM 0 H GLU A 33 -0.263 6.873 -4.334 1.00 0.00 H new ATOM 0 HA GLU A 33 0.961 8.343 -2.351 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.679 6.449 -2.037 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.563 5.298 -2.486 1.00 0.00 H new ATOM 0 HG2 GLU A 33 0.301 5.571 0.020 1.00 0.00 H new ATOM 0 HG3 GLU A 33 1.928 5.888 -0.549 1.00 0.00 H new ATOM 311 N PHE A 34 3.082 6.501 -3.870 1.00 0.00 N ATOM 312 CA PHE A 34 4.516 6.162 -3.976 1.00 0.00 C ATOM 313 C PHE A 34 5.243 7.087 -4.968 1.00 0.00 C ATOM 314 O PHE A 34 6.456 7.136 -4.988 1.00 0.00 O ATOM 315 CB PHE A 34 4.616 4.713 -4.480 1.00 0.00 C ATOM 316 CG PHE A 34 4.501 3.748 -3.289 1.00 0.00 C ATOM 317 CD1 PHE A 34 5.574 3.553 -2.436 1.00 0.00 C ATOM 318 CD2 PHE A 34 3.326 3.049 -3.055 1.00 0.00 C ATOM 319 CE1 PHE A 34 5.475 2.675 -1.376 1.00 0.00 C ATOM 320 CE2 PHE A 34 3.233 2.175 -1.993 1.00 0.00 C ATOM 321 CZ PHE A 34 4.305 1.989 -1.156 1.00 0.00 C ATOM 0 H PHE A 34 2.520 6.260 -4.686 1.00 0.00 H new ATOM 0 HA PHE A 34 4.986 6.283 -3.000 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.825 4.512 -5.202 1.00 0.00 H new ATOM 0 HB3 PHE A 34 5.564 4.560 -4.995 1.00 0.00 H new ATOM 0 HD1 PHE A 34 6.495 4.092 -2.601 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.478 3.190 -3.709 1.00 0.00 H new ATOM 0 HE1 PHE A 34 6.319 2.527 -0.718 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.314 1.635 -1.819 1.00 0.00 H new ATOM 0 HZ PHE A 34 4.229 1.304 -0.325 1.00 0.00 H new ATOM 331 N ASP A 35 4.490 7.808 -5.772 1.00 0.00 N ATOM 332 CA ASP A 35 5.145 8.723 -6.753 1.00 0.00 C ATOM 333 C ASP A 35 5.635 9.990 -6.064 1.00 0.00 C ATOM 334 O ASP A 35 5.314 11.090 -6.477 1.00 0.00 O ATOM 335 CB ASP A 35 4.119 9.118 -7.836 1.00 0.00 C ATOM 336 CG ASP A 35 4.783 10.047 -8.854 1.00 0.00 C ATOM 337 OD1 ASP A 35 5.886 9.711 -9.256 1.00 0.00 O ATOM 338 OD2 ASP A 35 4.147 11.035 -9.177 1.00 0.00 O ATOM 0 H ASP A 35 3.470 7.800 -5.788 1.00 0.00 H new ATOM 0 HA ASP A 35 5.996 8.206 -7.197 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.740 8.226 -8.335 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.264 9.615 -7.378 1.00 0.00 H new ATOM 343 N LYS A 36 6.403 9.803 -5.021 1.00 0.00 N ATOM 344 CA LYS A 36 6.941 10.963 -4.269 1.00 0.00 C ATOM 345 C LYS A 36 8.441 11.017 -4.401 1.00 0.00 C ATOM 346 O LYS A 36 9.080 11.953 -3.964 1.00 0.00 O ATOM 347 CB LYS A 36 6.605 10.768 -2.795 1.00 0.00 C ATOM 348 CG LYS A 36 5.124 11.015 -2.582 1.00 0.00 C ATOM 349 CD LYS A 36 4.879 11.236 -1.085 1.00 0.00 C ATOM 350 CE LYS A 36 3.466 11.782 -0.867 1.00 0.00 C ATOM 351 NZ LYS A 36 3.173 12.885 -1.823 1.00 0.00 N ATOM 0 H LYS A 36 6.679 8.889 -4.661 1.00 0.00 H new ATOM 0 HA LYS A 36 6.507 11.883 -4.661 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.866 9.757 -2.481 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.191 11.453 -2.183 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.799 11.886 -3.152 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.543 10.165 -2.940 1.00 0.00 H new ATOM 0 HD2 LYS A 36 5.004 10.298 -0.544 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.614 11.934 -0.686 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.738 10.981 -0.995 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.365 12.145 0.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.384 13.458 -1.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 4.016 13.485 -1.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.914 12.484 -2.747 1.00 0.00 H new ATOM 365 N ASP A 37 8.981 10.004 -4.996 1.00 0.00 N ATOM 366 CA ASP A 37 10.453 9.969 -5.171 1.00 0.00 C ATOM 367 C ASP A 37 10.888 10.955 -6.249 1.00 0.00 C ATOM 368 O ASP A 37 12.057 11.052 -6.573 1.00 0.00 O ATOM 369 CB ASP A 37 10.868 8.541 -5.577 1.00 0.00 C ATOM 370 CG ASP A 37 9.818 7.944 -6.518 1.00 0.00 C ATOM 371 OD1 ASP A 37 8.656 8.036 -6.162 1.00 0.00 O ATOM 372 OD2 ASP A 37 10.239 7.422 -7.538 1.00 0.00 O ATOM 0 H ASP A 37 8.474 9.201 -5.368 1.00 0.00 H new ATOM 0 HA ASP A 37 10.934 10.250 -4.234 1.00 0.00 H new ATOM 0 HB2 ASP A 37 11.841 8.561 -6.068 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.972 7.916 -4.690 1.00 0.00 H new ATOM 377 N LYS A 38 9.931 11.675 -6.774 1.00 0.00 N ATOM 378 CA LYS A 38 10.247 12.668 -7.832 1.00 0.00 C ATOM 379 C LYS A 38 11.023 12.031 -8.980 1.00 0.00 C ATOM 380 O LYS A 38 12.224 12.188 -9.080 1.00 0.00 O ATOM 381 CB LYS A 38 11.110 13.783 -7.211 1.00 0.00 C ATOM 382 CG LYS A 38 10.198 14.861 -6.616 1.00 0.00 C ATOM 383 CD LYS A 38 9.646 14.376 -5.269 1.00 0.00 C ATOM 384 CE LYS A 38 9.295 15.590 -4.402 1.00 0.00 C ATOM 385 NZ LYS A 38 10.491 16.458 -4.216 1.00 0.00 N ATOM 0 H LYS A 38 8.947 11.615 -6.513 1.00 0.00 H new ATOM 0 HA LYS A 38 9.312 13.064 -8.228 1.00 0.00 H new ATOM 0 HB2 LYS A 38 11.756 13.369 -6.436 1.00 0.00 H new ATOM 0 HB3 LYS A 38 11.761 14.219 -7.969 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.754 15.789 -6.481 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.378 15.078 -7.301 1.00 0.00 H new ATOM 0 HD2 LYS A 38 8.762 13.758 -5.426 1.00 0.00 H new ATOM 0 HD3 LYS A 38 10.384 13.754 -4.763 1.00 0.00 H new ATOM 0 HE2 LYS A 38 8.493 16.160 -4.871 1.00 0.00 H new ATOM 0 HE3 LYS A 38 8.925 15.258 -3.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.413 16.967 -3.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.349 15.870 -4.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 10.547 17.144 -4.996 1.00 0.00 H new ATOM 399 N ASP A 39 10.322 11.325 -9.829 1.00 0.00 N ATOM 400 CA ASP A 39 11.005 10.675 -10.972 1.00 0.00 C ATOM 401 C ASP A 39 10.009 10.337 -12.070 1.00 0.00 C ATOM 402 O ASP A 39 10.389 9.959 -13.161 1.00 0.00 O ATOM 403 CB ASP A 39 11.653 9.376 -10.474 1.00 0.00 C ATOM 404 CG ASP A 39 12.157 9.580 -9.044 1.00 0.00 C ATOM 405 OD1 ASP A 39 11.355 9.361 -8.153 1.00 0.00 O ATOM 406 OD2 ASP A 39 13.316 9.946 -8.925 1.00 0.00 O ATOM 0 H ASP A 39 9.315 11.175 -9.776 1.00 0.00 H new ATOM 0 HA ASP A 39 11.755 11.356 -11.376 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.931 8.560 -10.505 1.00 0.00 H new ATOM 0 HB3 ASP A 39 12.479 9.094 -11.127 1.00 0.00 H new ATOM 411 N GLY A 40 8.747 10.480 -11.765 1.00 0.00 N ATOM 412 CA GLY A 40 7.708 10.170 -12.784 1.00 0.00 C ATOM 413 C GLY A 40 7.551 8.657 -12.935 1.00 0.00 C ATOM 414 O GLY A 40 6.630 8.188 -13.573 1.00 0.00 O ATOM 0 H GLY A 40 8.394 10.796 -10.861 1.00 0.00 H new ATOM 0 HA2 GLY A 40 6.757 10.614 -12.491 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.984 10.612 -13.742 1.00 0.00 H new ATOM 418 N TYR A 41 8.463 7.925 -12.341 1.00 0.00 N ATOM 419 CA TYR A 41 8.391 6.446 -12.433 1.00 0.00 C ATOM 420 C TYR A 41 8.726 5.801 -11.094 1.00 0.00 C ATOM 421 O TYR A 41 9.539 6.306 -10.346 1.00 0.00 O ATOM 422 CB TYR A 41 9.421 5.979 -13.472 1.00 0.00 C ATOM 423 CG TYR A 41 9.287 6.827 -14.739 1.00 0.00 C ATOM 424 CD1 TYR A 41 8.235 6.625 -15.609 1.00 0.00 C ATOM 425 CD2 TYR A 41 10.222 7.800 -15.032 1.00 0.00 C ATOM 426 CE1 TYR A 41 8.120 7.383 -16.759 1.00 0.00 C ATOM 427 CE2 TYR A 41 10.107 8.558 -16.180 1.00 0.00 C ATOM 428 CZ TYR A 41 9.055 8.356 -17.053 1.00 0.00 C ATOM 429 OH TYR A 41 8.946 9.107 -18.206 1.00 0.00 O ATOM 0 H TYR A 41 9.247 8.292 -11.801 1.00 0.00 H new ATOM 0 HA TYR A 41 7.380 6.156 -12.718 1.00 0.00 H new ATOM 0 HB2 TYR A 41 10.429 6.068 -13.067 1.00 0.00 H new ATOM 0 HB3 TYR A 41 9.264 4.926 -13.708 1.00 0.00 H new ATOM 0 HD1 TYR A 41 7.496 5.869 -15.390 1.00 0.00 H new ATOM 0 HD2 TYR A 41 11.049 7.969 -14.358 1.00 0.00 H new ATOM 0 HE1 TYR A 41 7.293 7.213 -17.433 1.00 0.00 H new ATOM 0 HE2 TYR A 41 10.846 9.315 -16.398 1.00 0.00 H new ATOM 0 HH TYR A 41 9.688 9.745 -18.252 1.00 0.00 H new ATOM 439 N ILE A 42 8.091 4.696 -10.812 1.00 0.00 N ATOM 440 CA ILE A 42 8.364 4.010 -9.528 1.00 0.00 C ATOM 441 C ILE A 42 9.473 2.993 -9.701 1.00 0.00 C ATOM 442 O ILE A 42 9.542 2.328 -10.705 1.00 0.00 O ATOM 443 CB ILE A 42 7.109 3.275 -9.082 1.00 0.00 C ATOM 444 CG1 ILE A 42 6.445 2.628 -10.277 1.00 0.00 C ATOM 445 CG2 ILE A 42 6.133 4.286 -8.466 1.00 0.00 C ATOM 446 CD1 ILE A 42 5.332 1.709 -9.786 1.00 0.00 C ATOM 0 H ILE A 42 7.401 4.245 -11.413 1.00 0.00 H new ATOM 0 HA ILE A 42 8.662 4.753 -8.788 1.00 0.00 H new ATOM 0 HB ILE A 42 7.377 2.511 -8.352 1.00 0.00 H new ATOM 0 HG12 ILE A 42 6.039 3.391 -10.941 1.00 0.00 H new ATOM 0 HG13 ILE A 42 7.176 2.060 -10.853 1.00 0.00 H new ATOM 0 HG21 ILE A 42 5.229 3.769 -8.143 1.00 0.00 H new ATOM 0 HG22 ILE A 42 6.602 4.768 -7.608 1.00 0.00 H new ATOM 0 HG23 ILE A 42 5.873 5.040 -9.209 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.846 1.237 -10.640 1.00 0.00 H new ATOM 0 HD12 ILE A 42 5.754 0.941 -9.138 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.599 2.291 -9.228 1.00 0.00 H new ATOM 458 N ASN A 43 10.319 2.881 -8.717 1.00 0.00 N ATOM 459 CA ASN A 43 11.428 1.902 -8.825 1.00 0.00 C ATOM 460 C ASN A 43 11.005 0.549 -8.278 1.00 0.00 C ATOM 461 O ASN A 43 10.252 0.472 -7.328 1.00 0.00 O ATOM 462 CB ASN A 43 12.614 2.421 -7.996 1.00 0.00 C ATOM 463 CG ASN A 43 13.870 1.618 -8.345 1.00 0.00 C ATOM 464 OD1 ASN A 43 13.806 0.598 -9.001 1.00 0.00 O ATOM 465 ND2 ASN A 43 15.031 2.046 -7.926 1.00 0.00 N ATOM 0 H ASN A 43 10.290 3.420 -7.852 1.00 0.00 H new ATOM 0 HA ASN A 43 11.703 1.786 -9.873 1.00 0.00 H new ATOM 0 HB2 ASN A 43 12.778 3.479 -8.199 1.00 0.00 H new ATOM 0 HB3 ASN A 43 12.395 2.330 -6.932 1.00 0.00 H new ATOM 0 HD21 ASN A 43 15.878 1.524 -8.150 1.00 0.00 H new ATOM 0 HD22 ASN A 43 15.090 2.902 -7.375 1.00 0.00 H new ATOM 472 N CYS A 44 11.490 -0.500 -8.890 1.00 0.00 N ATOM 473 CA CYS A 44 11.119 -1.847 -8.405 1.00 0.00 C ATOM 474 C CYS A 44 11.245 -1.901 -6.892 1.00 0.00 C ATOM 475 O CYS A 44 10.677 -2.756 -6.243 1.00 0.00 O ATOM 476 CB CYS A 44 12.079 -2.873 -9.024 1.00 0.00 C ATOM 477 SG CYS A 44 13.821 -2.776 -8.541 1.00 0.00 S ATOM 0 H CYS A 44 12.118 -0.477 -9.693 1.00 0.00 H new ATOM 0 HA CYS A 44 10.090 -2.069 -8.689 1.00 0.00 H new ATOM 0 HB2 CYS A 44 11.715 -3.869 -8.774 1.00 0.00 H new ATOM 0 HB3 CYS A 44 12.024 -2.776 -10.108 1.00 0.00 H new ATOM 0 HG CYS A 44 14.213 -1.537 -8.576 1.00 0.00 H new ATOM 483 N ARG A 45 12.005 -0.987 -6.352 1.00 0.00 N ATOM 484 CA ARG A 45 12.178 -0.968 -4.886 1.00 0.00 C ATOM 485 C ARG A 45 10.851 -0.652 -4.235 1.00 0.00 C ATOM 486 O ARG A 45 10.459 -1.280 -3.273 1.00 0.00 O ATOM 487 CB ARG A 45 13.187 0.133 -4.525 1.00 0.00 C ATOM 488 CG ARG A 45 14.568 -0.260 -5.049 1.00 0.00 C ATOM 489 CD ARG A 45 15.634 0.530 -4.287 1.00 0.00 C ATOM 490 NE ARG A 45 15.646 1.935 -4.786 1.00 0.00 N ATOM 491 CZ ARG A 45 16.069 2.891 -4.003 1.00 0.00 C ATOM 492 NH1 ARG A 45 17.267 2.805 -3.495 1.00 0.00 N ATOM 493 NH2 ARG A 45 15.281 3.903 -3.759 1.00 0.00 N ATOM 0 H ARG A 45 12.507 -0.261 -6.864 1.00 0.00 H new ATOM 0 HA ARG A 45 12.537 -1.937 -4.539 1.00 0.00 H new ATOM 0 HB2 ARG A 45 12.877 1.084 -4.959 1.00 0.00 H new ATOM 0 HB3 ARG A 45 13.221 0.272 -3.444 1.00 0.00 H new ATOM 0 HG2 ARG A 45 14.729 -1.330 -4.920 1.00 0.00 H new ATOM 0 HG3 ARG A 45 14.638 -0.053 -6.117 1.00 0.00 H new ATOM 0 HD2 ARG A 45 15.423 0.512 -3.218 1.00 0.00 H new ATOM 0 HD3 ARG A 45 16.613 0.072 -4.427 1.00 0.00 H new ATOM 0 HE ARG A 45 15.327 2.148 -5.731 1.00 0.00 H new ATOM 0 HH11 ARG A 45 17.856 2.001 -3.711 1.00 0.00 H new ATOM 0 HH12 ARG A 45 17.615 3.542 -2.881 1.00 0.00 H new ATOM 0 HH21 ARG A 45 14.351 3.938 -4.178 1.00 0.00 H new ATOM 0 HH22 ARG A 45 15.595 4.659 -3.150 1.00 0.00 H new ATOM 507 N ASP A 46 10.176 0.324 -4.778 1.00 0.00 N ATOM 508 CA ASP A 46 8.871 0.700 -4.213 1.00 0.00 C ATOM 509 C ASP A 46 7.886 -0.426 -4.446 1.00 0.00 C ATOM 510 O ASP A 46 7.170 -0.823 -3.552 1.00 0.00 O ATOM 511 CB ASP A 46 8.370 1.960 -4.937 1.00 0.00 C ATOM 512 CG ASP A 46 9.432 3.056 -4.839 1.00 0.00 C ATOM 513 OD1 ASP A 46 10.287 3.060 -5.709 1.00 0.00 O ATOM 514 OD2 ASP A 46 9.328 3.828 -3.901 1.00 0.00 O ATOM 0 H ASP A 46 10.479 0.869 -5.585 1.00 0.00 H new ATOM 0 HA ASP A 46 8.966 0.890 -3.144 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.160 1.733 -5.982 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.436 2.302 -4.491 1.00 0.00 H new ATOM 519 N LEU A 47 7.869 -0.918 -5.663 1.00 0.00 N ATOM 520 CA LEU A 47 6.946 -2.025 -6.001 1.00 0.00 C ATOM 521 C LEU A 47 6.844 -3.018 -4.872 1.00 0.00 C ATOM 522 O LEU A 47 5.817 -3.146 -4.278 1.00 0.00 O ATOM 523 CB LEU A 47 7.495 -2.745 -7.217 1.00 0.00 C ATOM 524 CG LEU A 47 6.919 -2.113 -8.460 1.00 0.00 C ATOM 525 CD1 LEU A 47 5.426 -2.341 -8.490 1.00 0.00 C ATOM 526 CD2 LEU A 47 7.201 -0.607 -8.446 1.00 0.00 C ATOM 0 H LEU A 47 8.458 -0.594 -6.430 1.00 0.00 H new ATOM 0 HA LEU A 47 5.956 -1.609 -6.190 1.00 0.00 H new ATOM 0 HB2 LEU A 47 8.583 -2.683 -7.232 1.00 0.00 H new ATOM 0 HB3 LEU A 47 7.236 -3.803 -7.177 1.00 0.00 H new ATOM 0 HG LEU A 47 7.377 -2.561 -9.342 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.006 -1.886 -9.387 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.222 -3.412 -8.497 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.971 -1.891 -7.608 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.785 -0.151 -9.344 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.742 -0.159 -7.565 1.00 0.00 H new ATOM 0 HD23 LEU A 47 8.278 -0.439 -8.419 1.00 0.00 H new ATOM 538 N GLY A 48 7.915 -3.724 -4.615 1.00 0.00 N ATOM 539 CA GLY A 48 7.882 -4.724 -3.509 1.00 0.00 C ATOM 540 C GLY A 48 7.052 -4.180 -2.349 1.00 0.00 C ATOM 541 O GLY A 48 6.243 -4.884 -1.765 1.00 0.00 O ATOM 0 H GLY A 48 8.800 -3.652 -5.117 1.00 0.00 H new ATOM 0 HA2 GLY A 48 7.456 -5.661 -3.866 1.00 0.00 H new ATOM 0 HA3 GLY A 48 8.896 -4.942 -3.173 1.00 0.00 H new ATOM 545 N ASN A 49 7.251 -2.926 -2.055 1.00 0.00 N ATOM 546 CA ASN A 49 6.490 -2.314 -0.948 1.00 0.00 C ATOM 547 C ASN A 49 5.118 -1.868 -1.432 1.00 0.00 C ATOM 548 O ASN A 49 4.174 -1.840 -0.669 1.00 0.00 O ATOM 549 CB ASN A 49 7.265 -1.091 -0.429 1.00 0.00 C ATOM 550 CG ASN A 49 8.473 -1.568 0.380 1.00 0.00 C ATOM 551 OD1 ASN A 49 8.377 -2.676 1.061 1.00 0.00 O flip ATOM 552 ND2 ASN A 49 9.512 -0.939 0.398 1.00 0.00 N flip ATOM 0 H ASN A 49 7.905 -2.307 -2.534 1.00 0.00 H new ATOM 0 HA ASN A 49 6.362 -3.048 -0.152 1.00 0.00 H new ATOM 0 HB2 ASN A 49 7.593 -0.472 -1.264 1.00 0.00 H new ATOM 0 HB3 ASN A 49 6.618 -0.472 0.192 1.00 0.00 H new ATOM 0 HD21 ASN A 49 9.592 -0.072 -0.133 1.00 0.00 H new ATOM 0 HD22 ASN A 49 10.304 -1.278 0.944 1.00 0.00 H new ATOM 559 N CYS A 50 5.022 -1.528 -2.697 1.00 0.00 N ATOM 560 CA CYS A 50 3.711 -1.086 -3.226 1.00 0.00 C ATOM 561 C CYS A 50 2.863 -2.304 -3.549 1.00 0.00 C ATOM 562 O CYS A 50 1.666 -2.313 -3.344 1.00 0.00 O ATOM 563 CB CYS A 50 3.948 -0.283 -4.512 1.00 0.00 C ATOM 564 SG CYS A 50 2.692 0.937 -4.972 1.00 0.00 S ATOM 0 H CYS A 50 5.788 -1.540 -3.370 1.00 0.00 H new ATOM 0 HA CYS A 50 3.198 -0.471 -2.487 1.00 0.00 H new ATOM 0 HB2 CYS A 50 4.902 0.235 -4.415 1.00 0.00 H new ATOM 0 HB3 CYS A 50 4.051 -0.989 -5.336 1.00 0.00 H new ATOM 0 HG CYS A 50 2.453 1.717 -3.960 1.00 0.00 H new ATOM 570 N MET A 51 3.513 -3.314 -4.052 1.00 0.00 N ATOM 571 CA MET A 51 2.800 -4.549 -4.404 1.00 0.00 C ATOM 572 C MET A 51 2.193 -5.169 -3.154 1.00 0.00 C ATOM 573 O MET A 51 1.079 -5.653 -3.179 1.00 0.00 O ATOM 574 CB MET A 51 3.820 -5.532 -5.022 1.00 0.00 C ATOM 575 CG MET A 51 4.214 -5.043 -6.429 1.00 0.00 C ATOM 576 SD MET A 51 3.845 -6.139 -7.822 1.00 0.00 S ATOM 577 CE MET A 51 2.061 -5.836 -7.878 1.00 0.00 C ATOM 0 H MET A 51 4.517 -3.327 -4.232 1.00 0.00 H new ATOM 0 HA MET A 51 2.000 -4.332 -5.112 1.00 0.00 H new ATOM 0 HB2 MET A 51 4.704 -5.602 -4.388 1.00 0.00 H new ATOM 0 HB3 MET A 51 3.389 -6.532 -5.080 1.00 0.00 H new ATOM 0 HG2 MET A 51 3.714 -4.091 -6.607 1.00 0.00 H new ATOM 0 HG3 MET A 51 5.286 -4.846 -6.430 1.00 0.00 H new ATOM 0 HE1 MET A 51 1.617 -6.423 -8.682 1.00 0.00 H new ATOM 0 HE2 MET A 51 1.613 -6.125 -6.927 1.00 0.00 H new ATOM 0 HE3 MET A 51 1.877 -4.777 -8.058 1.00 0.00 H new ATOM 587 N ARG A 52 2.941 -5.145 -2.070 1.00 0.00 N ATOM 588 CA ARG A 52 2.405 -5.732 -0.819 1.00 0.00 C ATOM 589 C ARG A 52 1.317 -4.830 -0.245 1.00 0.00 C ATOM 590 O ARG A 52 0.331 -5.302 0.285 1.00 0.00 O ATOM 591 CB ARG A 52 3.559 -5.857 0.202 1.00 0.00 C ATOM 592 CG ARG A 52 2.990 -6.167 1.595 1.00 0.00 C ATOM 593 CD ARG A 52 2.233 -7.499 1.557 1.00 0.00 C ATOM 594 NE ARG A 52 3.130 -8.556 1.009 1.00 0.00 N ATOM 595 CZ ARG A 52 3.111 -9.748 1.543 1.00 0.00 C ATOM 596 NH1 ARG A 52 1.973 -10.239 1.949 1.00 0.00 N ATOM 597 NH2 ARG A 52 4.232 -10.409 1.651 1.00 0.00 N ATOM 0 H ARG A 52 3.879 -4.750 -2.008 1.00 0.00 H new ATOM 0 HA ARG A 52 1.978 -6.713 -1.028 1.00 0.00 H new ATOM 0 HB2 ARG A 52 4.244 -6.647 -0.105 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.133 -4.931 0.231 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.797 -6.217 2.326 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.322 -5.366 1.912 1.00 0.00 H new ATOM 0 HD2 ARG A 52 1.900 -7.771 2.559 1.00 0.00 H new ATOM 0 HD3 ARG A 52 1.340 -7.406 0.939 1.00 0.00 H new ATOM 0 HE ARG A 52 3.751 -8.351 0.226 1.00 0.00 H new ATOM 0 HH11 ARG A 52 1.117 -9.694 1.847 1.00 0.00 H new ATOM 0 HH12 ARG A 52 1.939 -11.168 2.368 1.00 0.00 H new ATOM 0 HH21 ARG A 52 5.103 -9.993 1.321 1.00 0.00 H new ATOM 0 HH22 ARG A 52 4.237 -11.341 2.065 1.00 0.00 H new ATOM 611 N THR A 53 1.518 -3.541 -0.361 1.00 0.00 N ATOM 612 CA THR A 53 0.506 -2.597 0.169 1.00 0.00 C ATOM 613 C THR A 53 -0.684 -2.520 -0.774 1.00 0.00 C ATOM 614 O THR A 53 -1.760 -2.109 -0.393 1.00 0.00 O ATOM 615 CB THR A 53 1.144 -1.203 0.272 1.00 0.00 C ATOM 616 OG1 THR A 53 1.619 -1.107 1.598 1.00 0.00 O ATOM 617 CG2 THR A 53 0.078 -0.100 0.164 1.00 0.00 C ATOM 0 H THR A 53 2.334 -3.111 -0.797 1.00 0.00 H new ATOM 0 HA THR A 53 0.168 -2.941 1.146 1.00 0.00 H new ATOM 0 HB THR A 53 1.895 -1.084 -0.509 1.00 0.00 H new ATOM 0 HG1 THR A 53 2.043 -0.234 1.731 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.556 0.877 0.240 1.00 0.00 H new ATOM 0 HG22 THR A 53 -0.433 -0.180 -0.796 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.646 -0.213 0.971 1.00 0.00 H new ATOM 625 N MET A 54 -0.463 -2.923 -1.995 1.00 0.00 N ATOM 626 CA MET A 54 -1.560 -2.888 -2.990 1.00 0.00 C ATOM 627 C MET A 54 -2.527 -4.040 -2.775 1.00 0.00 C ATOM 628 O MET A 54 -3.723 -3.886 -2.919 1.00 0.00 O ATOM 629 CB MET A 54 -0.942 -3.033 -4.383 1.00 0.00 C ATOM 630 CG MET A 54 -2.060 -3.142 -5.425 1.00 0.00 C ATOM 631 SD MET A 54 -3.555 -2.162 -5.149 1.00 0.00 S ATOM 632 CE MET A 54 -4.720 -3.292 -5.952 1.00 0.00 C ATOM 0 H MET A 54 0.430 -3.274 -2.342 1.00 0.00 H new ATOM 0 HA MET A 54 -2.104 -1.949 -2.886 1.00 0.00 H new ATOM 0 HB2 MET A 54 -0.307 -2.175 -4.603 1.00 0.00 H new ATOM 0 HB3 MET A 54 -0.306 -3.918 -4.421 1.00 0.00 H new ATOM 0 HG2 MET A 54 -1.646 -2.860 -6.393 1.00 0.00 H new ATOM 0 HG3 MET A 54 -2.353 -4.190 -5.496 1.00 0.00 H new ATOM 0 HE1 MET A 54 -5.726 -2.876 -5.897 1.00 0.00 H new ATOM 0 HE2 MET A 54 -4.438 -3.424 -6.997 1.00 0.00 H new ATOM 0 HE3 MET A 54 -4.698 -4.257 -5.446 1.00 0.00 H new ATOM 642 N GLY A 55 -1.994 -5.177 -2.434 1.00 0.00 N ATOM 643 CA GLY A 55 -2.872 -6.348 -2.207 1.00 0.00 C ATOM 644 C GLY A 55 -2.052 -7.627 -2.246 1.00 0.00 C ATOM 645 O GLY A 55 -1.954 -8.270 -3.272 1.00 0.00 O ATOM 0 H GLY A 55 -0.996 -5.343 -2.304 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.373 -6.256 -1.243 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.651 -6.382 -2.969 1.00 0.00 H new ATOM 649 N TYR A 56 -1.466 -7.951 -1.122 1.00 0.00 N ATOM 650 CA TYR A 56 -0.632 -9.184 -1.032 1.00 0.00 C ATOM 651 C TYR A 56 -1.156 -10.290 -1.940 1.00 0.00 C ATOM 652 O TYR A 56 -2.348 -10.470 -2.089 1.00 0.00 O ATOM 653 CB TYR A 56 -0.660 -9.682 0.422 1.00 0.00 C ATOM 654 CG TYR A 56 -2.021 -10.311 0.727 1.00 0.00 C ATOM 655 CD1 TYR A 56 -3.115 -9.518 1.003 1.00 0.00 C ATOM 656 CD2 TYR A 56 -2.168 -11.684 0.746 1.00 0.00 C ATOM 657 CE1 TYR A 56 -4.338 -10.089 1.294 1.00 0.00 C ATOM 658 CE2 TYR A 56 -3.391 -12.254 1.037 1.00 0.00 C ATOM 659 CZ TYR A 56 -4.485 -11.460 1.313 1.00 0.00 C ATOM 660 OH TYR A 56 -5.707 -12.029 1.605 1.00 0.00 O ATOM 0 H TYR A 56 -1.531 -7.411 -0.259 1.00 0.00 H new ATOM 0 HA TYR A 56 0.381 -8.939 -1.351 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.133 -10.413 0.581 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -0.471 -8.853 1.104 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -3.014 -8.443 0.991 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -1.319 -12.317 0.532 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -5.187 -9.457 1.509 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -3.492 -13.329 1.049 1.00 0.00 H new ATOM 0 HH TYR A 56 -5.629 -13.005 1.573 1.00 0.00 H new ATOM 670 N MET A 57 -0.243 -11.009 -2.525 1.00 0.00 N ATOM 671 CA MET A 57 -0.631 -12.113 -3.431 1.00 0.00 C ATOM 672 C MET A 57 0.612 -12.815 -3.983 1.00 0.00 C ATOM 673 O MET A 57 0.697 -14.027 -3.970 1.00 0.00 O ATOM 674 CB MET A 57 -1.455 -11.537 -4.603 1.00 0.00 C ATOM 675 CG MET A 57 -2.810 -12.250 -4.677 1.00 0.00 C ATOM 676 SD MET A 57 -3.692 -12.551 -3.124 1.00 0.00 S ATOM 677 CE MET A 57 -3.997 -14.316 -3.386 1.00 0.00 C ATOM 0 H MET A 57 0.762 -10.876 -2.411 1.00 0.00 H new ATOM 0 HA MET A 57 -1.225 -12.838 -2.874 1.00 0.00 H new ATOM 0 HB2 MET A 57 -1.603 -10.466 -4.465 1.00 0.00 H new ATOM 0 HB3 MET A 57 -0.913 -11.666 -5.540 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.462 -11.664 -5.324 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.656 -13.212 -5.167 1.00 0.00 H new ATOM 0 HE1 MET A 57 -4.541 -14.722 -2.533 1.00 0.00 H new ATOM 0 HE2 MET A 57 -4.588 -14.453 -4.292 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.046 -14.838 -3.491 1.00 0.00 H new ATOM 687 N PRO A 58 1.569 -12.032 -4.467 1.00 0.00 N ATOM 688 CA PRO A 58 2.795 -12.593 -5.018 1.00 0.00 C ATOM 689 C PRO A 58 3.673 -13.154 -3.903 1.00 0.00 C ATOM 690 O PRO A 58 3.249 -13.251 -2.768 1.00 0.00 O ATOM 691 CB PRO A 58 3.511 -11.399 -5.688 1.00 0.00 C ATOM 692 CG PRO A 58 2.690 -10.116 -5.351 1.00 0.00 C ATOM 693 CD PRO A 58 1.480 -10.558 -4.511 1.00 0.00 C ATOM 0 HA PRO A 58 2.592 -13.407 -5.714 1.00 0.00 H new ATOM 0 HB2 PRO A 58 4.533 -11.309 -5.320 1.00 0.00 H new ATOM 0 HB3 PRO A 58 3.572 -11.544 -6.767 1.00 0.00 H new ATOM 0 HG2 PRO A 58 3.301 -9.402 -4.799 1.00 0.00 H new ATOM 0 HG3 PRO A 58 2.363 -9.617 -6.264 1.00 0.00 H new ATOM 0 HD2 PRO A 58 1.516 -10.130 -3.509 1.00 0.00 H new ATOM 0 HD3 PRO A 58 0.544 -10.232 -4.964 1.00 0.00 H new ATOM 701 N THR A 59 4.879 -13.509 -4.241 1.00 0.00 N ATOM 702 CA THR A 59 5.786 -14.061 -3.208 1.00 0.00 C ATOM 703 C THR A 59 6.394 -12.938 -2.373 1.00 0.00 C ATOM 704 O THR A 59 5.865 -11.844 -2.329 1.00 0.00 O ATOM 705 CB THR A 59 6.912 -14.819 -3.914 1.00 0.00 C ATOM 706 OG1 THR A 59 7.749 -13.821 -4.461 1.00 0.00 O ATOM 707 CG2 THR A 59 6.371 -15.583 -5.133 1.00 0.00 C ATOM 0 H THR A 59 5.271 -13.441 -5.180 1.00 0.00 H new ATOM 0 HA THR A 59 5.223 -14.722 -2.549 1.00 0.00 H new ATOM 0 HB THR A 59 7.393 -15.504 -3.216 1.00 0.00 H new ATOM 0 HG1 THR A 59 7.200 -13.136 -4.897 1.00 0.00 H new ATOM 0 HG21 THR A 59 7.188 -16.115 -5.621 1.00 0.00 H new ATOM 0 HG22 THR A 59 5.615 -16.298 -4.808 1.00 0.00 H new ATOM 0 HG23 THR A 59 5.926 -14.879 -5.836 1.00 0.00 H new ATOM 715 N GLU A 60 7.498 -13.233 -1.724 1.00 0.00 N ATOM 716 CA GLU A 60 8.164 -12.201 -0.884 1.00 0.00 C ATOM 717 C GLU A 60 9.494 -11.779 -1.498 1.00 0.00 C ATOM 718 O GLU A 60 10.311 -11.157 -0.848 1.00 0.00 O ATOM 719 CB GLU A 60 8.434 -12.805 0.507 1.00 0.00 C ATOM 720 CG GLU A 60 8.579 -11.672 1.532 1.00 0.00 C ATOM 721 CD GLU A 60 8.267 -12.208 2.930 1.00 0.00 C ATOM 722 OE1 GLU A 60 8.675 -13.330 3.184 1.00 0.00 O ATOM 723 OE2 GLU A 60 7.638 -11.465 3.667 1.00 0.00 O ATOM 0 H GLU A 60 7.960 -14.142 -1.744 1.00 0.00 H new ATOM 0 HA GLU A 60 7.516 -11.327 -0.815 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.617 -13.468 0.793 1.00 0.00 H new ATOM 0 HB3 GLU A 60 9.341 -13.409 0.484 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.591 -11.268 1.503 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.902 -10.854 1.285 1.00 0.00 H new ATOM 730 N MET A 61 9.689 -12.126 -2.743 1.00 0.00 N ATOM 731 CA MET A 61 10.958 -11.751 -3.409 1.00 0.00 C ATOM 732 C MET A 61 10.928 -12.109 -4.887 1.00 0.00 C ATOM 733 O MET A 61 11.804 -11.727 -5.636 1.00 0.00 O ATOM 734 CB MET A 61 12.104 -12.522 -2.740 1.00 0.00 C ATOM 735 CG MET A 61 11.643 -13.951 -2.442 1.00 0.00 C ATOM 736 SD MET A 61 12.891 -15.114 -1.837 1.00 0.00 S ATOM 737 CE MET A 61 13.934 -13.904 -0.985 1.00 0.00 C ATOM 0 H MET A 61 9.028 -12.648 -3.318 1.00 0.00 H new ATOM 0 HA MET A 61 11.099 -10.674 -3.315 1.00 0.00 H new ATOM 0 HB2 MET A 61 12.977 -12.537 -3.392 1.00 0.00 H new ATOM 0 HB3 MET A 61 12.404 -12.024 -1.818 1.00 0.00 H new ATOM 0 HG2 MET A 61 10.842 -13.901 -1.704 1.00 0.00 H new ATOM 0 HG3 MET A 61 11.211 -14.363 -3.354 1.00 0.00 H new ATOM 0 HE1 MET A 61 14.644 -14.424 -0.342 1.00 0.00 H new ATOM 0 HE2 MET A 61 14.477 -13.310 -1.720 1.00 0.00 H new ATOM 0 HE3 MET A 61 13.309 -13.248 -0.379 1.00 0.00 H new ATOM 747 N GLU A 62 9.927 -12.841 -5.284 1.00 0.00 N ATOM 748 CA GLU A 62 9.841 -13.223 -6.711 1.00 0.00 C ATOM 749 C GLU A 62 9.360 -12.054 -7.549 1.00 0.00 C ATOM 750 O GLU A 62 9.925 -11.759 -8.587 1.00 0.00 O ATOM 751 CB GLU A 62 8.847 -14.381 -6.854 1.00 0.00 C ATOM 752 CG GLU A 62 8.979 -14.985 -8.252 1.00 0.00 C ATOM 753 CD GLU A 62 10.264 -15.810 -8.327 1.00 0.00 C ATOM 754 OE1 GLU A 62 10.934 -15.863 -7.309 1.00 0.00 O ATOM 755 OE2 GLU A 62 10.503 -16.343 -9.399 1.00 0.00 O ATOM 0 H GLU A 62 9.175 -13.186 -4.688 1.00 0.00 H new ATOM 0 HA GLU A 62 10.830 -13.521 -7.058 1.00 0.00 H new ATOM 0 HB2 GLU A 62 9.043 -15.140 -6.097 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.829 -14.025 -6.693 1.00 0.00 H new ATOM 0 HG2 GLU A 62 8.116 -15.614 -8.472 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.997 -14.194 -9.002 1.00 0.00 H new ATOM 762 N LEU A 63 8.320 -11.400 -7.096 1.00 0.00 N ATOM 763 CA LEU A 63 7.821 -10.254 -7.880 1.00 0.00 C ATOM 764 C LEU A 63 8.985 -9.352 -8.224 1.00 0.00 C ATOM 765 O LEU A 63 8.965 -8.641 -9.209 1.00 0.00 O ATOM 766 CB LEU A 63 6.773 -9.479 -7.047 1.00 0.00 C ATOM 767 CG LEU A 63 7.457 -8.696 -5.919 1.00 0.00 C ATOM 768 CD1 LEU A 63 6.398 -7.837 -5.210 1.00 0.00 C ATOM 769 CD2 LEU A 63 8.077 -9.682 -4.919 1.00 0.00 C ATOM 0 H LEU A 63 7.812 -11.610 -6.237 1.00 0.00 H new ATOM 0 HA LEU A 63 7.351 -10.604 -8.799 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.222 -8.794 -7.691 1.00 0.00 H new ATOM 0 HB3 LEU A 63 6.047 -10.175 -6.627 1.00 0.00 H new ATOM 0 HG LEU A 63 8.242 -8.058 -6.324 1.00 0.00 H new ATOM 0 HD11 LEU A 63 6.867 -7.273 -4.404 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.952 -7.146 -5.925 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.623 -8.482 -4.797 1.00 0.00 H new ATOM 0 HD21 LEU A 63 8.564 -9.128 -4.116 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.295 -10.316 -4.500 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.813 -10.303 -5.429 1.00 0.00 H new ATOM 781 N ILE A 64 9.993 -9.403 -7.391 1.00 0.00 N ATOM 782 CA ILE A 64 11.174 -8.579 -7.624 1.00 0.00 C ATOM 783 C ILE A 64 11.911 -9.088 -8.856 1.00 0.00 C ATOM 784 O ILE A 64 12.300 -8.320 -9.713 1.00 0.00 O ATOM 785 CB ILE A 64 12.059 -8.701 -6.369 1.00 0.00 C ATOM 786 CG1 ILE A 64 12.192 -7.347 -5.720 1.00 0.00 C ATOM 787 CG2 ILE A 64 13.469 -9.209 -6.754 1.00 0.00 C ATOM 788 CD1 ILE A 64 10.819 -6.897 -5.218 1.00 0.00 C ATOM 0 H ILE A 64 10.031 -9.991 -6.558 1.00 0.00 H new ATOM 0 HA ILE A 64 10.909 -7.537 -7.800 1.00 0.00 H new ATOM 0 HB ILE A 64 11.596 -9.408 -5.680 1.00 0.00 H new ATOM 0 HG12 ILE A 64 12.898 -7.395 -4.891 1.00 0.00 H new ATOM 0 HG13 ILE A 64 12.587 -6.625 -6.434 1.00 0.00 H new ATOM 0 HG21 ILE A 64 14.084 -9.290 -5.858 1.00 0.00 H new ATOM 0 HG22 ILE A 64 13.387 -10.187 -7.228 1.00 0.00 H new ATOM 0 HG23 ILE A 64 13.931 -8.508 -7.448 1.00 0.00 H new ATOM 0 HD11 ILE A 64 10.907 -5.918 -4.747 1.00 0.00 H new ATOM 0 HD12 ILE A 64 10.127 -6.835 -6.058 1.00 0.00 H new ATOM 0 HD13 ILE A 64 10.444 -7.617 -4.491 1.00 0.00 H new ATOM 800 N GLU A 65 12.089 -10.383 -8.921 1.00 0.00 N ATOM 801 CA GLU A 65 12.792 -10.955 -10.086 1.00 0.00 C ATOM 802 C GLU A 65 12.169 -10.422 -11.359 1.00 0.00 C ATOM 803 O GLU A 65 12.846 -10.190 -12.340 1.00 0.00 O ATOM 804 CB GLU A 65 12.637 -12.483 -10.050 1.00 0.00 C ATOM 805 CG GLU A 65 13.651 -13.114 -11.006 1.00 0.00 C ATOM 806 CD GLU A 65 15.064 -12.897 -10.461 1.00 0.00 C ATOM 807 OE1 GLU A 65 15.265 -13.271 -9.317 1.00 0.00 O ATOM 808 OE2 GLU A 65 15.862 -12.372 -11.218 1.00 0.00 O ATOM 0 H GLU A 65 11.778 -11.056 -8.220 1.00 0.00 H new ATOM 0 HA GLU A 65 13.847 -10.683 -10.056 1.00 0.00 H new ATOM 0 HB2 GLU A 65 12.795 -12.853 -9.037 1.00 0.00 H new ATOM 0 HB3 GLU A 65 11.624 -12.765 -10.337 1.00 0.00 H new ATOM 0 HG2 GLU A 65 13.451 -14.180 -11.115 1.00 0.00 H new ATOM 0 HG3 GLU A 65 13.559 -12.670 -11.997 1.00 0.00 H new ATOM 815 N LEU A 66 10.876 -10.238 -11.317 1.00 0.00 N ATOM 816 CA LEU A 66 10.180 -9.720 -12.511 1.00 0.00 C ATOM 817 C LEU A 66 10.539 -8.259 -12.724 1.00 0.00 C ATOM 818 O LEU A 66 10.954 -7.865 -13.804 1.00 0.00 O ATOM 819 CB LEU A 66 8.661 -9.851 -12.285 1.00 0.00 C ATOM 820 CG LEU A 66 8.326 -11.320 -11.982 1.00 0.00 C ATOM 821 CD1 LEU A 66 6.842 -11.440 -11.621 1.00 0.00 C ATOM 822 CD2 LEU A 66 8.610 -12.169 -13.224 1.00 0.00 C ATOM 0 H LEU A 66 10.282 -10.425 -10.509 1.00 0.00 H new ATOM 0 HA LEU A 66 10.480 -10.288 -13.392 1.00 0.00 H new ATOM 0 HB2 LEU A 66 8.347 -9.215 -11.458 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.118 -9.515 -13.169 1.00 0.00 H new ATOM 0 HG LEU A 66 8.936 -11.668 -11.148 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.603 -12.481 -11.406 1.00 0.00 H new ATOM 0 HD12 LEU A 66 6.631 -10.830 -10.743 1.00 0.00 H new ATOM 0 HD13 LEU A 66 6.235 -11.094 -12.457 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.374 -13.212 -13.014 1.00 0.00 H new ATOM 0 HD22 LEU A 66 7.996 -11.818 -14.053 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.663 -12.082 -13.491 1.00 0.00 H new ATOM 834 N SER A 67 10.388 -7.473 -11.694 1.00 0.00 N ATOM 835 CA SER A 67 10.722 -6.045 -11.833 1.00 0.00 C ATOM 836 C SER A 67 12.223 -5.884 -11.990 1.00 0.00 C ATOM 837 O SER A 67 12.711 -4.826 -12.333 1.00 0.00 O ATOM 838 CB SER A 67 10.254 -5.302 -10.577 1.00 0.00 C ATOM 839 OG SER A 67 10.998 -5.896 -9.523 1.00 0.00 O ATOM 0 H SER A 67 10.051 -7.761 -10.775 1.00 0.00 H new ATOM 0 HA SER A 67 10.226 -5.634 -12.713 1.00 0.00 H new ATOM 0 HB2 SER A 67 10.451 -4.233 -10.650 1.00 0.00 H new ATOM 0 HB3 SER A 67 9.181 -5.418 -10.422 1.00 0.00 H new ATOM 0 HG SER A 67 11.312 -6.781 -9.803 1.00 0.00 H new ATOM 845 N GLN A 68 12.932 -6.944 -11.719 1.00 0.00 N ATOM 846 CA GLN A 68 14.405 -6.894 -11.846 1.00 0.00 C ATOM 847 C GLN A 68 14.771 -7.165 -13.279 1.00 0.00 C ATOM 848 O GLN A 68 15.688 -6.575 -13.814 1.00 0.00 O ATOM 849 CB GLN A 68 15.016 -7.983 -10.949 1.00 0.00 C ATOM 850 CG GLN A 68 16.526 -8.039 -11.182 1.00 0.00 C ATOM 851 CD GLN A 68 17.099 -6.622 -11.135 1.00 0.00 C ATOM 852 OE1 GLN A 68 17.741 -6.166 -12.174 1.00 0.00 O flip ATOM 853 NE2 GLN A 68 16.966 -5.919 -10.153 1.00 0.00 N flip ATOM 0 H GLN A 68 12.550 -7.840 -11.416 1.00 0.00 H new ATOM 0 HA GLN A 68 14.781 -5.916 -11.545 1.00 0.00 H new ATOM 0 HB2 GLN A 68 14.806 -7.768 -9.901 1.00 0.00 H new ATOM 0 HB3 GLN A 68 14.566 -8.950 -11.173 1.00 0.00 H new ATOM 0 HG2 GLN A 68 17.000 -8.660 -10.422 1.00 0.00 H new ATOM 0 HG3 GLN A 68 16.740 -8.498 -12.147 1.00 0.00 H new ATOM 0 HE21 GLN A 68 16.464 -6.271 -9.338 1.00 0.00 H new ATOM 0 HE22 GLN A 68 17.356 -4.976 -10.144 1.00 0.00 H new ATOM 862 N GLN A 69 14.044 -8.063 -13.889 1.00 0.00 N ATOM 863 CA GLN A 69 14.338 -8.379 -15.291 1.00 0.00 C ATOM 864 C GLN A 69 14.157 -7.117 -16.108 1.00 0.00 C ATOM 865 O GLN A 69 14.862 -6.889 -17.071 1.00 0.00 O ATOM 866 CB GLN A 69 13.347 -9.457 -15.778 1.00 0.00 C ATOM 867 CG GLN A 69 13.990 -10.281 -16.907 1.00 0.00 C ATOM 868 CD GLN A 69 13.451 -11.713 -16.857 1.00 0.00 C ATOM 869 OE1 GLN A 69 12.558 -12.078 -17.594 1.00 0.00 O ATOM 870 NE2 GLN A 69 13.970 -12.556 -16.005 1.00 0.00 N ATOM 0 H GLN A 69 13.270 -8.580 -13.471 1.00 0.00 H new ATOM 0 HA GLN A 69 15.357 -8.750 -15.398 1.00 0.00 H new ATOM 0 HB2 GLN A 69 13.070 -10.110 -14.951 1.00 0.00 H new ATOM 0 HB3 GLN A 69 12.430 -8.987 -16.134 1.00 0.00 H new ATOM 0 HG2 GLN A 69 13.768 -9.830 -17.874 1.00 0.00 H new ATOM 0 HG3 GLN A 69 15.075 -10.284 -16.798 1.00 0.00 H new ATOM 0 HE21 GLN A 69 14.721 -12.256 -15.383 1.00 0.00 H new ATOM 0 HE22 GLN A 69 13.625 -13.515 -15.962 1.00 0.00 H new ATOM 879 N ILE A 70 13.195 -6.308 -15.697 1.00 0.00 N ATOM 880 CA ILE A 70 12.942 -5.045 -16.426 1.00 0.00 C ATOM 881 C ILE A 70 14.273 -4.383 -16.765 1.00 0.00 C ATOM 882 O ILE A 70 14.446 -3.831 -17.829 1.00 0.00 O ATOM 883 CB ILE A 70 12.115 -4.123 -15.489 1.00 0.00 C ATOM 884 CG1 ILE A 70 10.767 -3.816 -16.115 1.00 0.00 C ATOM 885 CG2 ILE A 70 12.859 -2.783 -15.263 1.00 0.00 C ATOM 886 CD1 ILE A 70 9.799 -3.379 -15.012 1.00 0.00 C ATOM 0 H ILE A 70 12.589 -6.479 -14.895 1.00 0.00 H new ATOM 0 HA ILE A 70 12.399 -5.230 -17.353 1.00 0.00 H new ATOM 0 HB ILE A 70 11.979 -4.640 -14.539 1.00 0.00 H new ATOM 0 HG12 ILE A 70 10.868 -3.029 -16.862 1.00 0.00 H new ATOM 0 HG13 ILE A 70 10.381 -4.696 -16.630 1.00 0.00 H new ATOM 0 HG21 ILE A 70 12.269 -2.146 -14.605 1.00 0.00 H new ATOM 0 HG22 ILE A 70 13.829 -2.978 -14.806 1.00 0.00 H new ATOM 0 HG23 ILE A 70 13.003 -2.281 -16.220 1.00 0.00 H new ATOM 0 HD11 ILE A 70 8.826 -3.155 -15.449 1.00 0.00 H new ATOM 0 HD12 ILE A 70 9.693 -4.182 -14.282 1.00 0.00 H new ATOM 0 HD13 ILE A 70 10.188 -2.489 -14.518 1.00 0.00 H new ATOM 898 N ASN A 71 15.189 -4.459 -15.838 1.00 0.00 N ATOM 899 CA ASN A 71 16.512 -3.850 -16.067 1.00 0.00 C ATOM 900 C ASN A 71 17.062 -4.272 -17.423 1.00 0.00 C ATOM 901 O ASN A 71 17.587 -3.462 -18.162 1.00 0.00 O ATOM 902 CB ASN A 71 17.459 -4.332 -14.955 1.00 0.00 C ATOM 903 CG ASN A 71 18.880 -3.838 -15.252 1.00 0.00 C ATOM 904 OD1 ASN A 71 19.044 -2.644 -15.757 1.00 0.00 O flip ATOM 905 ND2 ASN A 71 19.851 -4.532 -15.026 1.00 0.00 N flip ATOM 0 H ASN A 71 15.070 -4.918 -14.935 1.00 0.00 H new ATOM 0 HA ASN A 71 16.426 -2.763 -16.054 1.00 0.00 H new ATOM 0 HB2 ASN A 71 17.125 -3.955 -13.988 1.00 0.00 H new ATOM 0 HB3 ASN A 71 17.445 -5.420 -14.895 1.00 0.00 H new ATOM 0 HD21 ASN A 71 19.730 -5.465 -14.632 1.00 0.00 H new ATOM 0 HD22 ASN A 71 20.787 -4.182 -15.230 1.00 0.00 H new ATOM 912 N MET A 72 16.933 -5.537 -17.730 1.00 0.00 N ATOM 913 CA MET A 72 17.443 -6.020 -19.035 1.00 0.00 C ATOM 914 C MET A 72 16.602 -5.440 -20.164 1.00 0.00 C ATOM 915 O MET A 72 16.941 -5.564 -21.325 1.00 0.00 O ATOM 916 CB MET A 72 17.336 -7.558 -19.064 1.00 0.00 C ATOM 917 CG MET A 72 18.696 -8.149 -19.436 1.00 0.00 C ATOM 918 SD MET A 72 19.311 -7.828 -21.106 1.00 0.00 S ATOM 919 CE MET A 72 21.018 -8.357 -20.822 1.00 0.00 C ATOM 0 H MET A 72 16.501 -6.245 -17.137 1.00 0.00 H new ATOM 0 HA MET A 72 18.479 -5.708 -19.164 1.00 0.00 H new ATOM 0 HB2 MET A 72 17.018 -7.931 -18.090 1.00 0.00 H new ATOM 0 HB3 MET A 72 16.581 -7.869 -19.786 1.00 0.00 H new ATOM 0 HG2 MET A 72 19.433 -7.772 -18.727 1.00 0.00 H new ATOM 0 HG3 MET A 72 18.644 -9.229 -19.298 1.00 0.00 H new ATOM 0 HE1 MET A 72 21.592 -8.242 -21.741 1.00 0.00 H new ATOM 0 HE2 MET A 72 21.463 -7.745 -20.037 1.00 0.00 H new ATOM 0 HE3 MET A 72 21.029 -9.403 -20.516 1.00 0.00 H new ATOM 929 N ASN A 73 15.511 -4.810 -19.785 1.00 0.00 N ATOM 930 CA ASN A 73 14.606 -4.197 -20.797 1.00 0.00 C ATOM 931 C ASN A 73 14.581 -2.680 -20.648 1.00 0.00 C ATOM 932 O ASN A 73 15.065 -1.962 -21.501 1.00 0.00 O ATOM 933 CB ASN A 73 13.187 -4.734 -20.564 1.00 0.00 C ATOM 934 CG ASN A 73 13.167 -6.241 -20.815 1.00 0.00 C ATOM 935 OD1 ASN A 73 13.890 -6.995 -20.195 1.00 0.00 O ATOM 936 ND2 ASN A 73 12.353 -6.721 -21.715 1.00 0.00 N ATOM 0 H ASN A 73 15.214 -4.697 -18.816 1.00 0.00 H new ATOM 0 HA ASN A 73 14.964 -4.448 -21.795 1.00 0.00 H new ATOM 0 HB2 ASN A 73 12.868 -4.520 -19.544 1.00 0.00 H new ATOM 0 HB3 ASN A 73 12.483 -4.234 -21.229 1.00 0.00 H new ATOM 0 HD21 ASN A 73 12.326 -7.725 -21.895 1.00 0.00 H new ATOM 0 HD22 ASN A 73 11.744 -6.093 -22.239 1.00 0.00 H new ATOM 943 N LEU A 74 14.015 -2.221 -19.561 1.00 0.00 N ATOM 944 CA LEU A 74 13.946 -0.761 -19.335 1.00 0.00 C ATOM 945 C LEU A 74 15.124 -0.288 -18.496 1.00 0.00 C ATOM 946 O LEU A 74 16.102 0.202 -19.022 1.00 0.00 O ATOM 947 CB LEU A 74 12.639 -0.439 -18.593 1.00 0.00 C ATOM 948 CG LEU A 74 11.596 0.038 -19.607 1.00 0.00 C ATOM 949 CD1 LEU A 74 10.216 0.044 -18.948 1.00 0.00 C ATOM 950 CD2 LEU A 74 11.942 1.457 -20.056 1.00 0.00 C ATOM 0 H LEU A 74 13.602 -2.797 -18.828 1.00 0.00 H new ATOM 0 HA LEU A 74 13.978 -0.251 -20.298 1.00 0.00 H new ATOM 0 HB2 LEU A 74 12.277 -1.323 -18.067 1.00 0.00 H new ATOM 0 HB3 LEU A 74 12.813 0.331 -17.841 1.00 0.00 H new ATOM 0 HG LEU A 74 11.590 -0.631 -20.468 1.00 0.00 H new ATOM 0 HD11 LEU A 74 9.471 0.383 -19.667 1.00 0.00 H new ATOM 0 HD12 LEU A 74 9.967 -0.964 -18.616 1.00 0.00 H new ATOM 0 HD13 LEU A 74 10.225 0.717 -18.091 1.00 0.00 H new ATOM 0 HD21 LEU A 74 11.202 1.801 -20.778 1.00 0.00 H new ATOM 0 HD22 LEU A 74 11.942 2.122 -19.192 1.00 0.00 H new ATOM 0 HD23 LEU A 74 12.929 1.462 -20.518 1.00 0.00 H new ATOM 962 N GLY A 75 15.020 -0.443 -17.202 1.00 0.00 N ATOM 963 CA GLY A 75 16.150 0.006 -16.335 1.00 0.00 C ATOM 964 C GLY A 75 15.878 -0.280 -14.851 1.00 0.00 C ATOM 965 O GLY A 75 16.789 -0.247 -14.045 1.00 0.00 O ATOM 0 H GLY A 75 14.221 -0.851 -16.716 1.00 0.00 H new ATOM 0 HA2 GLY A 75 17.066 -0.500 -16.641 1.00 0.00 H new ATOM 0 HA3 GLY A 75 16.314 1.074 -16.475 1.00 0.00 H new ATOM 969 N GLY A 76 14.635 -0.557 -14.517 1.00 0.00 N ATOM 970 CA GLY A 76 14.302 -0.845 -13.082 1.00 0.00 C ATOM 971 C GLY A 76 13.184 0.075 -12.603 1.00 0.00 C ATOM 972 O GLY A 76 13.101 0.400 -11.435 1.00 0.00 O ATOM 0 H GLY A 76 13.849 -0.596 -15.166 1.00 0.00 H new ATOM 0 HA2 GLY A 76 13.997 -1.886 -12.974 1.00 0.00 H new ATOM 0 HA3 GLY A 76 15.187 -0.706 -12.461 1.00 0.00 H new ATOM 976 N HIS A 77 12.347 0.481 -13.514 1.00 0.00 N ATOM 977 CA HIS A 77 11.235 1.375 -13.126 1.00 0.00 C ATOM 978 C HIS A 77 10.041 1.161 -14.036 1.00 0.00 C ATOM 979 O HIS A 77 10.177 0.627 -15.120 1.00 0.00 O ATOM 980 CB HIS A 77 11.697 2.836 -13.230 1.00 0.00 C ATOM 981 CG HIS A 77 12.646 2.994 -14.411 1.00 0.00 C ATOM 982 ND1 HIS A 77 12.341 2.801 -15.603 1.00 0.00 N ATOM 983 CD2 HIS A 77 13.973 3.369 -14.425 1.00 0.00 C ATOM 984 CE1 HIS A 77 13.327 3.008 -16.374 1.00 0.00 C ATOM 985 NE2 HIS A 77 14.421 3.378 -15.710 1.00 0.00 N ATOM 0 H HIS A 77 12.387 0.232 -14.502 1.00 0.00 H new ATOM 0 HA HIS A 77 10.942 1.148 -12.101 1.00 0.00 H new ATOM 0 HB2 HIS A 77 10.835 3.492 -13.354 1.00 0.00 H new ATOM 0 HB3 HIS A 77 12.196 3.136 -12.308 1.00 0.00 H new ATOM 0 HD2 HIS A 77 14.563 3.616 -13.555 1.00 0.00 H new ATOM 0 HE1 HIS A 77 13.284 2.897 -17.447 1.00 0.00 H new ATOM 0 HE2 HIS A 77 15.348 3.607 -16.069 1.00 0.00 H new ATOM 993 N VAL A 78 8.888 1.578 -13.576 1.00 0.00 N ATOM 994 CA VAL A 78 7.674 1.410 -14.391 1.00 0.00 C ATOM 995 C VAL A 78 6.802 2.662 -14.388 1.00 0.00 C ATOM 996 O VAL A 78 6.767 3.407 -13.429 1.00 0.00 O ATOM 997 CB VAL A 78 6.876 0.232 -13.773 1.00 0.00 C ATOM 998 CG1 VAL A 78 7.704 -0.419 -12.692 1.00 0.00 C ATOM 999 CG2 VAL A 78 5.579 0.725 -13.136 1.00 0.00 C ATOM 0 H VAL A 78 8.747 2.026 -12.670 1.00 0.00 H new ATOM 0 HA VAL A 78 7.957 1.220 -15.426 1.00 0.00 H new ATOM 0 HB VAL A 78 6.644 -0.474 -14.570 1.00 0.00 H new ATOM 0 HG11 VAL A 78 7.146 -1.247 -12.256 1.00 0.00 H new ATOM 0 HG12 VAL A 78 8.633 -0.794 -13.121 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.932 0.313 -11.917 1.00 0.00 H new ATOM 0 HG21 VAL A 78 5.038 -0.120 -12.710 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.810 1.442 -12.348 1.00 0.00 H new ATOM 0 HG23 VAL A 78 4.961 1.206 -13.894 1.00 0.00 H new ATOM 1009 N ASP A 79 6.129 2.871 -15.483 1.00 0.00 N ATOM 1010 CA ASP A 79 5.246 4.049 -15.593 1.00 0.00 C ATOM 1011 C ASP A 79 3.846 3.607 -15.228 1.00 0.00 C ATOM 1012 O ASP A 79 3.567 2.426 -15.250 1.00 0.00 O ATOM 1013 CB ASP A 79 5.256 4.545 -17.048 1.00 0.00 C ATOM 1014 CG ASP A 79 6.452 3.935 -17.781 1.00 0.00 C ATOM 1015 OD1 ASP A 79 6.293 2.815 -18.239 1.00 0.00 O ATOM 1016 OD2 ASP A 79 7.458 4.622 -17.842 1.00 0.00 O ATOM 0 H ASP A 79 6.157 2.270 -16.307 1.00 0.00 H new ATOM 0 HA ASP A 79 5.581 4.850 -14.934 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.328 4.265 -17.546 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.316 5.633 -17.073 1.00 0.00 H new ATOM 1021 N PHE A 80 2.983 4.525 -14.884 1.00 0.00 N ATOM 1022 CA PHE A 80 1.613 4.086 -14.526 1.00 0.00 C ATOM 1023 C PHE A 80 1.107 3.060 -15.523 1.00 0.00 C ATOM 1024 O PHE A 80 0.180 2.326 -15.247 1.00 0.00 O ATOM 1025 CB PHE A 80 0.658 5.279 -14.519 1.00 0.00 C ATOM 1026 CG PHE A 80 -0.608 4.846 -13.784 1.00 0.00 C ATOM 1027 CD1 PHE A 80 -0.536 4.431 -12.466 1.00 0.00 C ATOM 1028 CD2 PHE A 80 -1.825 4.793 -14.440 1.00 0.00 C ATOM 1029 CE1 PHE A 80 -1.657 3.968 -11.818 1.00 0.00 C ATOM 1030 CE2 PHE A 80 -2.948 4.328 -13.788 1.00 0.00 C ATOM 1031 CZ PHE A 80 -2.863 3.915 -12.478 1.00 0.00 C ATOM 0 H PHE A 80 3.162 5.528 -14.837 1.00 0.00 H new ATOM 0 HA PHE A 80 1.651 3.640 -13.532 1.00 0.00 H new ATOM 0 HB2 PHE A 80 1.116 6.135 -14.023 1.00 0.00 H new ATOM 0 HB3 PHE A 80 0.424 5.589 -15.537 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.408 4.471 -11.942 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -1.896 5.117 -15.468 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -1.591 3.645 -10.789 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -3.895 4.288 -14.306 1.00 0.00 H new ATOM 0 HZ PHE A 80 -3.742 3.550 -11.968 1.00 0.00 H new ATOM 1041 N ASP A 81 1.726 3.028 -16.671 1.00 0.00 N ATOM 1042 CA ASP A 81 1.296 2.056 -17.690 1.00 0.00 C ATOM 1043 C ASP A 81 1.904 0.694 -17.387 1.00 0.00 C ATOM 1044 O ASP A 81 1.195 -0.284 -17.282 1.00 0.00 O ATOM 1045 CB ASP A 81 1.786 2.531 -19.069 1.00 0.00 C ATOM 1046 CG ASP A 81 1.359 3.986 -19.289 1.00 0.00 C ATOM 1047 OD1 ASP A 81 0.273 4.307 -18.835 1.00 0.00 O ATOM 1048 OD2 ASP A 81 2.145 4.694 -19.898 1.00 0.00 O ATOM 0 H ASP A 81 2.504 3.632 -16.938 1.00 0.00 H new ATOM 0 HA ASP A 81 0.209 1.976 -17.684 1.00 0.00 H new ATOM 0 HB2 ASP A 81 2.871 2.446 -19.131 1.00 0.00 H new ATOM 0 HB3 ASP A 81 1.372 1.897 -19.853 1.00 0.00 H new ATOM 1053 N ASP A 82 3.215 0.648 -17.234 1.00 0.00 N ATOM 1054 CA ASP A 82 3.849 -0.651 -16.935 1.00 0.00 C ATOM 1055 C ASP A 82 3.302 -1.159 -15.617 1.00 0.00 C ATOM 1056 O ASP A 82 3.099 -2.336 -15.429 1.00 0.00 O ATOM 1057 CB ASP A 82 5.369 -0.446 -16.807 1.00 0.00 C ATOM 1058 CG ASP A 82 5.980 -0.237 -18.196 1.00 0.00 C ATOM 1059 OD1 ASP A 82 5.312 0.399 -18.992 1.00 0.00 O ATOM 1060 OD2 ASP A 82 7.084 -0.725 -18.378 1.00 0.00 O ATOM 0 H ASP A 82 3.847 1.445 -17.305 1.00 0.00 H new ATOM 0 HA ASP A 82 3.641 -1.368 -17.729 1.00 0.00 H new ATOM 0 HB2 ASP A 82 5.577 0.416 -16.174 1.00 0.00 H new ATOM 0 HB3 ASP A 82 5.823 -1.312 -16.326 1.00 0.00 H new ATOM 1065 N PHE A 83 3.069 -0.231 -14.728 1.00 0.00 N ATOM 1066 CA PHE A 83 2.528 -0.581 -13.397 1.00 0.00 C ATOM 1067 C PHE A 83 1.241 -1.355 -13.573 1.00 0.00 C ATOM 1068 O PHE A 83 1.097 -2.464 -13.089 1.00 0.00 O ATOM 1069 CB PHE A 83 2.240 0.757 -12.704 1.00 0.00 C ATOM 1070 CG PHE A 83 1.786 0.590 -11.254 1.00 0.00 C ATOM 1071 CD1 PHE A 83 2.618 0.030 -10.301 1.00 0.00 C ATOM 1072 CD2 PHE A 83 0.603 1.181 -10.842 1.00 0.00 C ATOM 1073 CE1 PHE A 83 2.273 0.079 -8.960 1.00 0.00 C ATOM 1074 CE2 PHE A 83 0.267 1.226 -9.511 1.00 0.00 C ATOM 1075 CZ PHE A 83 1.097 0.684 -8.572 1.00 0.00 C ATOM 0 H PHE A 83 3.235 0.765 -14.876 1.00 0.00 H new ATOM 0 HA PHE A 83 3.219 -1.194 -12.817 1.00 0.00 H new ATOM 0 HB2 PHE A 83 3.138 1.374 -12.729 1.00 0.00 H new ATOM 0 HB3 PHE A 83 1.470 1.291 -13.261 1.00 0.00 H new ATOM 0 HD1 PHE A 83 3.539 -0.447 -10.603 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -0.063 1.611 -11.576 1.00 0.00 H new ATOM 0 HE1 PHE A 83 2.926 -0.357 -8.218 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -0.658 1.692 -9.206 1.00 0.00 H new ATOM 0 HZ PHE A 83 0.832 0.729 -7.526 1.00 0.00 H new ATOM 1085 N VAL A 84 0.329 -0.755 -14.275 1.00 0.00 N ATOM 1086 CA VAL A 84 -0.956 -1.420 -14.509 1.00 0.00 C ATOM 1087 C VAL A 84 -0.726 -2.679 -15.341 1.00 0.00 C ATOM 1088 O VAL A 84 -1.384 -3.690 -15.155 1.00 0.00 O ATOM 1089 CB VAL A 84 -1.854 -0.435 -15.284 1.00 0.00 C ATOM 1090 CG1 VAL A 84 -2.865 -1.205 -16.120 1.00 0.00 C ATOM 1091 CG2 VAL A 84 -2.599 0.458 -14.292 1.00 0.00 C ATOM 0 H VAL A 84 0.426 0.170 -14.694 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.427 -1.704 -13.568 1.00 0.00 H new ATOM 0 HB VAL A 84 -1.234 0.176 -15.940 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.496 -0.503 -16.665 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.339 -1.845 -16.828 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.485 -1.819 -15.467 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.235 1.156 -14.837 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.215 -0.159 -13.638 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.879 1.015 -13.693 1.00 0.00 H new ATOM 1101 N GLU A 85 0.226 -2.601 -16.239 1.00 0.00 N ATOM 1102 CA GLU A 85 0.521 -3.775 -17.089 1.00 0.00 C ATOM 1103 C GLU A 85 1.144 -4.883 -16.255 1.00 0.00 C ATOM 1104 O GLU A 85 0.770 -6.033 -16.376 1.00 0.00 O ATOM 1105 CB GLU A 85 1.514 -3.357 -18.189 1.00 0.00 C ATOM 1106 CG GLU A 85 1.255 -4.187 -19.452 1.00 0.00 C ATOM 1107 CD GLU A 85 1.835 -3.454 -20.662 1.00 0.00 C ATOM 1108 OE1 GLU A 85 2.994 -3.708 -20.943 1.00 0.00 O ATOM 1109 OE2 GLU A 85 1.086 -2.681 -21.236 1.00 0.00 O ATOM 0 H GLU A 85 0.803 -1.778 -16.413 1.00 0.00 H new ATOM 0 HA GLU A 85 -0.406 -4.140 -17.532 1.00 0.00 H new ATOM 0 HB2 GLU A 85 1.404 -2.295 -18.409 1.00 0.00 H new ATOM 0 HB3 GLU A 85 2.538 -3.507 -17.846 1.00 0.00 H new ATOM 0 HG2 GLU A 85 1.712 -5.172 -19.355 1.00 0.00 H new ATOM 0 HG3 GLU A 85 0.185 -4.344 -19.585 1.00 0.00 H new ATOM 1116 N LEU A 86 2.093 -4.527 -15.413 1.00 0.00 N ATOM 1117 CA LEU A 86 2.724 -5.574 -14.580 1.00 0.00 C ATOM 1118 C LEU A 86 1.632 -6.352 -13.869 1.00 0.00 C ATOM 1119 O LEU A 86 1.749 -7.542 -13.657 1.00 0.00 O ATOM 1120 CB LEU A 86 3.660 -4.904 -13.541 1.00 0.00 C ATOM 1121 CG LEU A 86 5.043 -5.596 -13.562 1.00 0.00 C ATOM 1122 CD1 LEU A 86 4.894 -7.023 -13.021 1.00 0.00 C ATOM 1123 CD2 LEU A 86 5.575 -5.654 -14.999 1.00 0.00 C ATOM 0 H LEU A 86 2.442 -3.578 -15.278 1.00 0.00 H new ATOM 0 HA LEU A 86 3.310 -6.251 -15.201 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.770 -3.843 -13.767 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.223 -4.974 -12.545 1.00 0.00 H new ATOM 0 HG LEU A 86 5.741 -5.032 -12.944 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.864 -7.519 -13.032 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.516 -6.987 -11.999 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.195 -7.578 -13.647 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.549 -6.143 -15.007 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.881 -6.219 -15.621 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.673 -4.642 -15.392 1.00 0.00 H new ATOM 1135 N MET A 87 0.577 -5.658 -13.510 1.00 0.00 N ATOM 1136 CA MET A 87 -0.540 -6.341 -12.815 1.00 0.00 C ATOM 1137 C MET A 87 -1.476 -6.933 -13.859 1.00 0.00 C ATOM 1138 O MET A 87 -2.382 -7.681 -13.548 1.00 0.00 O ATOM 1139 CB MET A 87 -1.308 -5.317 -11.968 1.00 0.00 C ATOM 1140 CG MET A 87 -1.610 -5.936 -10.601 1.00 0.00 C ATOM 1141 SD MET A 87 -2.708 -5.019 -9.492 1.00 0.00 S ATOM 1142 CE MET A 87 -2.734 -6.232 -8.146 1.00 0.00 C ATOM 0 H MET A 87 0.449 -4.659 -13.670 1.00 0.00 H new ATOM 0 HA MET A 87 -0.153 -7.131 -12.171 1.00 0.00 H new ATOM 0 HB2 MET A 87 -0.719 -4.408 -11.849 1.00 0.00 H new ATOM 0 HB3 MET A 87 -2.235 -5.033 -12.467 1.00 0.00 H new ATOM 0 HG2 MET A 87 -2.046 -6.921 -10.767 1.00 0.00 H new ATOM 0 HG3 MET A 87 -0.662 -6.090 -10.085 1.00 0.00 H new ATOM 0 HE1 MET A 87 -3.366 -5.865 -7.337 1.00 0.00 H new ATOM 0 HE2 MET A 87 -3.131 -7.177 -8.516 1.00 0.00 H new ATOM 0 HE3 MET A 87 -1.721 -6.385 -7.774 1.00 0.00 H new ATOM 1152 N GLY A 88 -1.219 -6.563 -15.097 1.00 0.00 N ATOM 1153 CA GLY A 88 -2.045 -7.057 -16.242 1.00 0.00 C ATOM 1154 C GLY A 88 -2.575 -8.481 -16.003 1.00 0.00 C ATOM 1155 O GLY A 88 -3.767 -8.713 -16.060 1.00 0.00 O ATOM 0 H GLY A 88 -0.462 -5.932 -15.361 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -2.885 -6.380 -16.401 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -1.447 -7.042 -17.153 1.00 0.00 H new ATOM 1159 N PRO A 89 -1.666 -9.418 -15.761 1.00 0.00 N ATOM 1160 CA PRO A 89 -2.046 -10.807 -15.517 1.00 0.00 C ATOM 1161 C PRO A 89 -3.207 -10.915 -14.531 1.00 0.00 C ATOM 1162 O PRO A 89 -3.747 -11.983 -14.320 1.00 0.00 O ATOM 1163 CB PRO A 89 -0.777 -11.458 -14.933 1.00 0.00 C ATOM 1164 CG PRO A 89 0.402 -10.466 -15.187 1.00 0.00 C ATOM 1165 CD PRO A 89 -0.213 -9.160 -15.720 1.00 0.00 C ATOM 0 HA PRO A 89 -2.390 -11.294 -16.429 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -0.897 -11.649 -13.867 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -0.582 -12.419 -15.409 1.00 0.00 H new ATOM 0 HG2 PRO A 89 0.957 -10.283 -14.267 1.00 0.00 H new ATOM 0 HG3 PRO A 89 1.107 -10.882 -15.907 1.00 0.00 H new ATOM 0 HD2 PRO A 89 0.021 -8.318 -15.069 1.00 0.00 H new ATOM 0 HD3 PRO A 89 0.174 -8.915 -16.709 1.00 0.00 H new ATOM 1173 N LYS A 90 -3.568 -9.809 -13.946 1.00 0.00 N ATOM 1174 CA LYS A 90 -4.689 -9.829 -12.978 1.00 0.00 C ATOM 1175 C LYS A 90 -5.004 -8.415 -12.495 1.00 0.00 C ATOM 1176 O LYS A 90 -4.336 -7.884 -11.630 1.00 0.00 O ATOM 1177 CB LYS A 90 -4.290 -10.709 -11.770 1.00 0.00 C ATOM 1178 CG LYS A 90 -5.403 -11.729 -11.484 1.00 0.00 C ATOM 1179 CD LYS A 90 -5.467 -11.988 -9.978 1.00 0.00 C ATOM 1180 CE LYS A 90 -5.929 -10.712 -9.267 1.00 0.00 C ATOM 1181 NZ LYS A 90 -6.459 -9.726 -10.252 1.00 0.00 N ATOM 0 H LYS A 90 -3.136 -8.898 -14.097 1.00 0.00 H new ATOM 0 HA LYS A 90 -5.576 -10.235 -13.465 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.354 -11.227 -11.978 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -4.121 -10.085 -10.893 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -6.361 -11.351 -11.842 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -5.208 -12.659 -12.018 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -6.155 -12.806 -9.766 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -4.488 -12.291 -9.607 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -6.700 -10.955 -8.536 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -5.096 -10.273 -8.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -7.238 -9.188 -9.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -5.700 -9.072 -10.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -6.810 -10.229 -11.092 1.00 0.00 H new ATOM 1195 N LEU A 91 -6.015 -7.825 -13.074 1.00 0.00 N ATOM 1196 CA LEU A 91 -6.388 -6.450 -12.663 1.00 0.00 C ATOM 1197 C LEU A 91 -7.873 -6.198 -12.904 1.00 0.00 C ATOM 1198 O LEU A 91 -8.642 -7.089 -13.205 1.00 0.00 O ATOM 1199 CB LEU A 91 -5.565 -5.450 -13.503 1.00 0.00 C ATOM 1200 CG LEU A 91 -6.213 -5.283 -14.882 1.00 0.00 C ATOM 1201 CD1 LEU A 91 -5.304 -4.420 -15.760 1.00 0.00 C ATOM 1202 CD2 LEU A 91 -6.381 -6.659 -15.529 1.00 0.00 C ATOM 0 H LEU A 91 -6.592 -8.236 -13.808 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.183 -6.326 -11.600 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -5.515 -4.487 -12.995 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -4.541 -5.807 -13.612 1.00 0.00 H new ATOM 0 HG LEU A 91 -7.187 -4.805 -14.778 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -5.758 -4.297 -16.743 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.171 -3.443 -15.296 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -4.334 -4.905 -15.867 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -6.842 -6.546 -16.510 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -5.405 -7.131 -15.639 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -7.017 -7.282 -14.900 1.00 0.00 H new