USER MOD reduce.3.24.130724 H: found=0, std=0, add=319, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 320 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 132 SER OG : rot 180:sc= -0.821 USER MOD Single : A 142 HIS : no HE2:sc= -8.17! C(o=-8.2!,f=-10!) USER MOD Single : A 143 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 152 THR OG1 : rot 180:sc= 0 USER MOD Single : A 159 THR OG1 : rot 50:sc= -0.114! USER MOD Single : A 165 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 169 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 70 N LEU A 131 -4.228 6.141 -2.469 1.00 0.00 N ATOM 71 CA LEU A 131 -3.111 5.902 -1.566 1.00 0.00 C ATOM 72 C LEU A 131 -3.298 6.661 -0.255 1.00 0.00 C ATOM 73 O LEU A 131 -4.172 7.521 -0.144 1.00 0.00 O ATOM 74 CB LEU A 131 -1.799 6.321 -2.229 1.00 0.00 C ATOM 75 CG LEU A 131 -1.114 5.231 -3.057 1.00 0.00 C ATOM 76 CD1 LEU A 131 -0.903 3.978 -2.221 1.00 0.00 C ATOM 77 CD2 LEU A 131 -1.933 4.914 -4.299 1.00 0.00 C ATOM 0 HA LEU A 131 -3.075 4.836 -1.344 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -1.993 7.178 -2.874 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -1.109 6.655 -1.454 1.00 0.00 H new ATOM 0 HG LEU A 131 -0.138 5.600 -3.373 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -0.415 3.214 -2.827 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -0.276 4.215 -1.362 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -1.867 3.605 -1.875 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -1.432 4.137 -4.877 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -2.922 4.565 -4.003 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -2.032 5.812 -4.908 1.00 0.00 H new ATOM 89 N SER A 132 -2.471 6.337 0.735 1.00 0.00 N ATOM 90 CA SER A 132 -2.545 6.989 2.038 1.00 0.00 C ATOM 91 C SER A 132 -1.301 7.838 2.293 1.00 0.00 C ATOM 92 O SER A 132 -0.303 7.719 1.583 1.00 0.00 O ATOM 93 CB SER A 132 -2.706 5.945 3.145 1.00 0.00 C ATOM 94 OG SER A 132 -3.919 6.135 3.852 1.00 0.00 O ATOM 0 H SER A 132 -1.742 5.627 0.659 1.00 0.00 H new ATOM 0 HA SER A 132 -3.415 7.646 2.041 1.00 0.00 H new ATOM 0 HB2 SER A 132 -2.687 4.945 2.712 1.00 0.00 H new ATOM 0 HB3 SER A 132 -1.865 6.010 3.835 1.00 0.00 H new ATOM 0 HG SER A 132 -3.999 5.455 4.553 1.00 0.00 H new ATOM 100 N PRO A 133 -1.346 8.715 3.312 1.00 0.00 N ATOM 101 CA PRO A 133 -0.219 9.590 3.652 1.00 0.00 C ATOM 102 C PRO A 133 0.992 8.819 4.172 1.00 0.00 C ATOM 103 O PRO A 133 2.093 8.940 3.632 1.00 0.00 O ATOM 104 CB PRO A 133 -0.782 10.500 4.747 1.00 0.00 C ATOM 105 CG PRO A 133 -1.931 9.749 5.325 1.00 0.00 C ATOM 106 CD PRO A 133 -2.501 8.926 4.205 1.00 0.00 C ATOM 0 HA PRO A 133 0.145 10.129 2.777 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -0.030 10.715 5.506 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -1.103 11.457 4.337 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -1.606 9.113 6.148 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -2.680 10.432 5.726 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -2.907 7.981 4.567 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -3.312 9.447 3.696 1.00 0.00 H new ATOM 114 N ALA A 134 0.788 8.031 5.223 1.00 0.00 N ATOM 115 CA ALA A 134 1.869 7.251 5.812 1.00 0.00 C ATOM 116 C ALA A 134 2.341 6.154 4.865 1.00 0.00 C ATOM 117 O ALA A 134 3.543 5.987 4.635 1.00 0.00 O ATOM 118 CB ALA A 134 1.421 6.650 7.137 1.00 0.00 C ATOM 0 H ALA A 134 -0.115 7.916 5.683 1.00 0.00 H new ATOM 0 HA ALA A 134 2.710 7.921 5.992 1.00 0.00 H new ATOM 0 HB1 ALA A 134 2.237 6.069 7.568 1.00 0.00 H new ATOM 0 HB2 ALA A 134 1.143 7.450 7.824 1.00 0.00 H new ATOM 0 HB3 ALA A 134 0.562 6.000 6.970 1.00 0.00 H new ATOM 124 N ILE A 135 1.394 5.405 4.310 1.00 0.00 N ATOM 125 CA ILE A 135 1.734 4.332 3.391 1.00 0.00 C ATOM 126 C ILE A 135 2.521 4.868 2.206 1.00 0.00 C ATOM 127 O ILE A 135 3.503 4.265 1.793 1.00 0.00 O ATOM 128 CB ILE A 135 0.489 3.583 2.878 1.00 0.00 C ATOM 129 CG1 ILE A 135 -0.229 2.892 4.039 1.00 0.00 C ATOM 130 CG2 ILE A 135 0.889 2.568 1.810 1.00 0.00 C ATOM 131 CD1 ILE A 135 -1.731 3.077 4.019 1.00 0.00 C ATOM 0 H ILE A 135 0.395 5.521 4.480 1.00 0.00 H new ATOM 0 HA ILE A 135 2.346 3.626 3.952 1.00 0.00 H new ATOM 0 HB ILE A 135 -0.197 4.302 2.430 1.00 0.00 H new ATOM 0 HG12 ILE A 135 -0.002 1.826 4.013 1.00 0.00 H new ATOM 0 HG13 ILE A 135 0.164 3.278 4.980 1.00 0.00 H new ATOM 0 HG21 ILE A 135 0.001 2.045 1.455 1.00 0.00 H new ATOM 0 HG22 ILE A 135 1.363 3.085 0.976 1.00 0.00 H new ATOM 0 HG23 ILE A 135 1.588 1.848 2.236 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -2.173 2.560 4.871 1.00 0.00 H new ATOM 0 HD12 ILE A 135 -1.968 4.139 4.077 1.00 0.00 H new ATOM 0 HD13 ILE A 135 -2.136 2.665 3.095 1.00 0.00 H new ATOM 143 N ARG A 136 2.096 6.004 1.660 1.00 0.00 N ATOM 144 CA ARG A 136 2.792 6.595 0.522 1.00 0.00 C ATOM 145 C ARG A 136 4.282 6.679 0.812 1.00 0.00 C ATOM 146 O ARG A 136 5.113 6.430 -0.062 1.00 0.00 O ATOM 147 CB ARG A 136 2.237 7.987 0.208 1.00 0.00 C ATOM 148 CG ARG A 136 1.230 7.999 -0.929 1.00 0.00 C ATOM 149 CD ARG A 136 1.052 9.397 -1.500 1.00 0.00 C ATOM 150 NE ARG A 136 2.264 9.876 -2.162 1.00 0.00 N ATOM 151 CZ ARG A 136 2.610 9.545 -3.404 1.00 0.00 C ATOM 152 NH1 ARG A 136 1.844 8.732 -4.121 1.00 0.00 N ATOM 153 NH2 ARG A 136 3.729 10.025 -3.930 1.00 0.00 N ATOM 0 H ARG A 136 1.283 6.528 1.983 1.00 0.00 H new ATOM 0 HA ARG A 136 2.632 5.959 -0.349 1.00 0.00 H new ATOM 0 HB2 ARG A 136 1.766 8.391 1.104 1.00 0.00 H new ATOM 0 HB3 ARG A 136 3.064 8.650 -0.044 1.00 0.00 H new ATOM 0 HG2 ARG A 136 1.561 7.322 -1.717 1.00 0.00 H new ATOM 0 HG3 ARG A 136 0.270 7.626 -0.571 1.00 0.00 H new ATOM 0 HD2 ARG A 136 0.226 9.396 -2.212 1.00 0.00 H new ATOM 0 HD3 ARG A 136 0.781 10.084 -0.699 1.00 0.00 H new ATOM 0 HE ARG A 136 2.881 10.500 -1.642 1.00 0.00 H new ATOM 0 HH11 ARG A 136 0.984 8.357 -3.721 1.00 0.00 H new ATOM 0 HH12 ARG A 136 2.115 8.483 -5.072 1.00 0.00 H new ATOM 0 HH21 ARG A 136 4.324 10.647 -3.383 1.00 0.00 H new ATOM 0 HH22 ARG A 136 3.995 9.772 -4.882 1.00 0.00 H new ATOM 167 N ARG A 137 4.612 6.999 2.055 1.00 0.00 N ATOM 168 CA ARG A 137 5.999 7.076 2.471 1.00 0.00 C ATOM 169 C ARG A 137 6.598 5.680 2.467 1.00 0.00 C ATOM 170 O ARG A 137 7.727 5.473 2.020 1.00 0.00 O ATOM 171 CB ARG A 137 6.107 7.690 3.867 1.00 0.00 C ATOM 172 CG ARG A 137 7.425 8.404 4.118 1.00 0.00 C ATOM 173 CD ARG A 137 7.414 9.811 3.544 1.00 0.00 C ATOM 174 NE ARG A 137 6.225 10.557 3.947 1.00 0.00 N ATOM 175 CZ ARG A 137 5.780 11.641 3.315 1.00 0.00 C ATOM 176 NH1 ARG A 137 6.423 12.110 2.253 1.00 0.00 N ATOM 177 NH2 ARG A 137 4.688 12.258 3.747 1.00 0.00 N ATOM 0 H ARG A 137 3.937 7.209 2.790 1.00 0.00 H new ATOM 0 HA ARG A 137 6.547 7.712 1.776 1.00 0.00 H new ATOM 0 HB2 ARG A 137 5.288 8.396 4.009 1.00 0.00 H new ATOM 0 HB3 ARG A 137 5.982 6.904 4.611 1.00 0.00 H new ATOM 0 HG2 ARG A 137 7.617 8.449 5.190 1.00 0.00 H new ATOM 0 HG3 ARG A 137 8.240 7.834 3.671 1.00 0.00 H new ATOM 0 HD2 ARG A 137 8.306 10.344 3.874 1.00 0.00 H new ATOM 0 HD3 ARG A 137 7.458 9.759 2.456 1.00 0.00 H new ATOM 0 HE ARG A 137 5.705 10.228 4.761 1.00 0.00 H new ATOM 0 HH11 ARG A 137 7.263 11.640 1.917 1.00 0.00 H new ATOM 0 HH12 ARG A 137 6.077 12.941 1.773 1.00 0.00 H new ATOM 0 HH21 ARG A 137 4.190 11.902 4.563 1.00 0.00 H new ATOM 0 HH22 ARG A 137 4.346 13.089 3.263 1.00 0.00 H new ATOM 191 N LEU A 138 5.822 4.723 2.964 1.00 0.00 N ATOM 192 CA LEU A 138 6.264 3.336 3.015 1.00 0.00 C ATOM 193 C LEU A 138 6.534 2.791 1.613 1.00 0.00 C ATOM 194 O LEU A 138 7.618 2.275 1.337 1.00 0.00 O ATOM 195 CB LEU A 138 5.215 2.466 3.709 1.00 0.00 C ATOM 196 CG LEU A 138 5.617 1.001 3.868 1.00 0.00 C ATOM 197 CD1 LEU A 138 6.829 0.883 4.777 1.00 0.00 C ATOM 198 CD2 LEU A 138 4.461 0.177 4.412 1.00 0.00 C ATOM 0 H LEU A 138 4.886 4.883 3.336 1.00 0.00 H new ATOM 0 HA LEU A 138 7.193 3.305 3.585 1.00 0.00 H new ATOM 0 HB2 LEU A 138 5.009 2.883 4.695 1.00 0.00 H new ATOM 0 HB3 LEU A 138 4.286 2.516 3.141 1.00 0.00 H new ATOM 0 HG LEU A 138 5.878 0.609 2.885 1.00 0.00 H new ATOM 0 HD11 LEU A 138 7.105 -0.166 4.882 1.00 0.00 H new ATOM 0 HD12 LEU A 138 7.663 1.436 4.345 1.00 0.00 H new ATOM 0 HD13 LEU A 138 6.590 1.295 5.758 1.00 0.00 H new ATOM 0 HD21 LEU A 138 4.772 -0.862 4.516 1.00 0.00 H new ATOM 0 HD22 LEU A 138 4.163 0.566 5.386 1.00 0.00 H new ATOM 0 HD23 LEU A 138 3.617 0.236 3.725 1.00 0.00 H new ATOM 210 N LEU A 139 5.551 2.919 0.724 1.00 0.00 N ATOM 211 CA LEU A 139 5.691 2.446 -0.647 1.00 0.00 C ATOM 212 C LEU A 139 6.863 3.140 -1.319 1.00 0.00 C ATOM 213 O LEU A 139 7.586 2.539 -2.116 1.00 0.00 O ATOM 214 CB LEU A 139 4.405 2.708 -1.435 1.00 0.00 C ATOM 215 CG LEU A 139 3.284 1.693 -1.201 1.00 0.00 C ATOM 216 CD1 LEU A 139 1.927 2.379 -1.234 1.00 0.00 C ATOM 217 CD2 LEU A 139 3.348 0.582 -2.238 1.00 0.00 C ATOM 0 H LEU A 139 4.649 3.347 0.931 1.00 0.00 H new ATOM 0 HA LEU A 139 5.876 1.372 -0.629 1.00 0.00 H new ATOM 0 HB2 LEU A 139 4.035 3.701 -1.178 1.00 0.00 H new ATOM 0 HB3 LEU A 139 4.645 2.723 -2.498 1.00 0.00 H new ATOM 0 HG LEU A 139 3.420 1.251 -0.214 1.00 0.00 H new ATOM 0 HD11 LEU A 139 1.142 1.641 -1.066 1.00 0.00 H new ATOM 0 HD12 LEU A 139 1.884 3.139 -0.454 1.00 0.00 H new ATOM 0 HD13 LEU A 139 1.781 2.849 -2.206 1.00 0.00 H new ATOM 0 HD21 LEU A 139 2.544 -0.131 -2.057 1.00 0.00 H new ATOM 0 HD22 LEU A 139 3.238 1.008 -3.235 1.00 0.00 H new ATOM 0 HD23 LEU A 139 4.309 0.072 -2.166 1.00 0.00 H new ATOM 229 N ALA A 140 7.048 4.407 -0.979 1.00 0.00 N ATOM 230 CA ALA A 140 8.141 5.192 -1.533 1.00 0.00 C ATOM 231 C ALA A 140 9.483 4.618 -1.096 1.00 0.00 C ATOM 232 O ALA A 140 10.445 4.604 -1.862 1.00 0.00 O ATOM 233 CB ALA A 140 8.020 6.647 -1.103 1.00 0.00 C ATOM 0 H ALA A 140 6.455 4.914 -0.322 1.00 0.00 H new ATOM 0 HA ALA A 140 8.083 5.146 -2.621 1.00 0.00 H new ATOM 0 HB1 ALA A 140 8.845 7.221 -1.525 1.00 0.00 H new ATOM 0 HB2 ALA A 140 7.074 7.054 -1.460 1.00 0.00 H new ATOM 0 HB3 ALA A 140 8.054 6.709 -0.015 1.00 0.00 H new ATOM 239 N GLU A 141 9.532 4.135 0.142 1.00 0.00 N ATOM 240 CA GLU A 141 10.745 3.548 0.690 1.00 0.00 C ATOM 241 C GLU A 141 11.027 2.195 0.047 1.00 0.00 C ATOM 242 O GLU A 141 12.140 1.927 -0.404 1.00 0.00 O ATOM 243 CB GLU A 141 10.623 3.389 2.207 1.00 0.00 C ATOM 244 CG GLU A 141 10.441 4.706 2.943 1.00 0.00 C ATOM 245 CD GLU A 141 11.748 5.267 3.466 1.00 0.00 C ATOM 246 OE1 GLU A 141 12.312 4.676 4.412 1.00 0.00 O ATOM 247 OE2 GLU A 141 12.209 6.297 2.932 1.00 0.00 O ATOM 0 H GLU A 141 8.740 4.140 0.785 1.00 0.00 H new ATOM 0 HA GLU A 141 11.576 4.218 0.470 1.00 0.00 H new ATOM 0 HB2 GLU A 141 9.777 2.738 2.429 1.00 0.00 H new ATOM 0 HB3 GLU A 141 11.516 2.891 2.585 1.00 0.00 H new ATOM 0 HG2 GLU A 141 9.981 5.432 2.273 1.00 0.00 H new ATOM 0 HG3 GLU A 141 9.753 4.560 3.776 1.00 0.00 H new ATOM 254 N HIS A 142 10.004 1.351 0.005 1.00 0.00 N ATOM 255 CA HIS A 142 10.127 0.024 -0.587 1.00 0.00 C ATOM 256 C HIS A 142 10.222 0.116 -2.108 1.00 0.00 C ATOM 257 O HIS A 142 10.728 -0.796 -2.763 1.00 0.00 O ATOM 258 CB HIS A 142 8.929 -0.847 -0.200 1.00 0.00 C ATOM 259 CG HIS A 142 8.875 -1.192 1.256 1.00 0.00 C ATOM 260 ND1 HIS A 142 9.476 -2.314 1.788 1.00 0.00 N ATOM 261 CD2 HIS A 142 8.274 -0.564 2.295 1.00 0.00 C ATOM 262 CE1 HIS A 142 9.244 -2.359 3.089 1.00 0.00 C ATOM 263 NE2 HIS A 142 8.519 -1.310 3.420 1.00 0.00 N ATOM 0 H HIS A 142 9.077 1.562 0.375 1.00 0.00 H new ATOM 0 HA HIS A 142 11.040 -0.431 -0.204 1.00 0.00 H new ATOM 0 HB2 HIS A 142 8.011 -0.328 -0.475 1.00 0.00 H new ATOM 0 HB3 HIS A 142 8.960 -1.769 -0.781 1.00 0.00 H new ATOM 0 HD1 HIS A 142 10.015 -3.001 1.261 1.00 0.00 H new ATOM 0 HD2 HIS A 142 7.707 0.354 2.247 1.00 0.00 H new ATOM 0 HE1 HIS A 142 9.590 -3.126 3.766 1.00 0.00 H new ATOM 272 N ASN A 143 9.730 1.220 -2.666 1.00 0.00 N ATOM 273 CA ASN A 143 9.754 1.430 -4.110 1.00 0.00 C ATOM 274 C ASN A 143 8.784 0.481 -4.808 1.00 0.00 C ATOM 275 O ASN A 143 9.168 -0.274 -5.701 1.00 0.00 O ATOM 276 CB ASN A 143 11.170 1.236 -4.659 1.00 0.00 C ATOM 277 CG ASN A 143 11.523 2.256 -5.723 1.00 0.00 C ATOM 278 OD1 ASN A 143 11.773 3.424 -5.422 1.00 0.00 O ATOM 279 ND2 ASN A 143 11.545 1.820 -6.977 1.00 0.00 N ATOM 0 H ASN A 143 9.309 1.984 -2.138 1.00 0.00 H new ATOM 0 HA ASN A 143 9.441 2.455 -4.309 1.00 0.00 H new ATOM 0 HB2 ASN A 143 11.887 1.306 -3.841 1.00 0.00 H new ATOM 0 HB3 ASN A 143 11.260 0.233 -5.077 1.00 0.00 H new ATOM 0 HD21 ASN A 143 11.776 2.461 -7.736 1.00 0.00 H new ATOM 0 HD22 ASN A 143 11.331 0.844 -7.181 1.00 0.00 H new ATOM 286 N LEU A 144 7.522 0.522 -4.389 1.00 0.00 N ATOM 287 CA LEU A 144 6.494 -0.336 -4.969 1.00 0.00 C ATOM 288 C LEU A 144 5.380 0.487 -5.603 1.00 0.00 C ATOM 289 O LEU A 144 5.402 1.718 -5.568 1.00 0.00 O ATOM 290 CB LEU A 144 5.906 -1.259 -3.902 1.00 0.00 C ATOM 291 CG LEU A 144 6.925 -1.871 -2.943 1.00 0.00 C ATOM 292 CD1 LEU A 144 6.221 -2.587 -1.800 1.00 0.00 C ATOM 293 CD2 LEU A 144 7.843 -2.827 -3.689 1.00 0.00 C ATOM 0 H LEU A 144 7.187 1.140 -3.650 1.00 0.00 H new ATOM 0 HA LEU A 144 6.965 -0.937 -5.747 1.00 0.00 H new ATOM 0 HB2 LEU A 144 5.175 -0.697 -3.321 1.00 0.00 H new ATOM 0 HB3 LEU A 144 5.367 -2.066 -4.398 1.00 0.00 H new ATOM 0 HG LEU A 144 7.530 -1.068 -2.521 1.00 0.00 H new ATOM 0 HD11 LEU A 144 6.963 -3.016 -1.127 1.00 0.00 H new ATOM 0 HD12 LEU A 144 5.602 -1.877 -1.252 1.00 0.00 H new ATOM 0 HD13 LEU A 144 5.592 -3.382 -2.201 1.00 0.00 H new ATOM 0 HD21 LEU A 144 8.564 -3.256 -2.993 1.00 0.00 H new ATOM 0 HD22 LEU A 144 7.251 -3.626 -4.136 1.00 0.00 H new ATOM 0 HD23 LEU A 144 8.373 -2.286 -4.473 1.00 0.00 H new ATOM 305 N ASP A 145 4.405 -0.207 -6.176 1.00 0.00 N ATOM 306 CA ASP A 145 3.270 0.445 -6.816 1.00 0.00 C ATOM 307 C ASP A 145 1.965 0.028 -6.147 1.00 0.00 C ATOM 308 O ASP A 145 1.678 -1.161 -6.015 1.00 0.00 O ATOM 309 CB ASP A 145 3.228 0.098 -8.306 1.00 0.00 C ATOM 310 CG ASP A 145 2.414 1.092 -9.109 1.00 0.00 C ATOM 311 OD1 ASP A 145 2.850 2.256 -9.233 1.00 0.00 O ATOM 312 OD2 ASP A 145 1.338 0.708 -9.616 1.00 0.00 O ATOM 0 H ASP A 145 4.378 -1.226 -6.210 1.00 0.00 H new ATOM 0 HA ASP A 145 3.389 1.523 -6.707 1.00 0.00 H new ATOM 0 HB2 ASP A 145 4.245 0.065 -8.697 1.00 0.00 H new ATOM 0 HB3 ASP A 145 2.806 -0.899 -8.432 1.00 0.00 H new ATOM 317 N ALA A 146 1.181 1.012 -5.721 1.00 0.00 N ATOM 318 CA ALA A 146 -0.093 0.747 -5.060 1.00 0.00 C ATOM 319 C ALA A 146 -0.937 -0.248 -5.852 1.00 0.00 C ATOM 320 O ALA A 146 -1.446 -1.225 -5.301 1.00 0.00 O ATOM 321 CB ALA A 146 -0.859 2.044 -4.854 1.00 0.00 C ATOM 0 H ALA A 146 1.405 2.002 -5.821 1.00 0.00 H new ATOM 0 HA ALA A 146 0.121 0.302 -4.088 1.00 0.00 H new ATOM 0 HB1 ALA A 146 -1.807 1.832 -4.360 1.00 0.00 H new ATOM 0 HB2 ALA A 146 -0.270 2.720 -4.234 1.00 0.00 H new ATOM 0 HB3 ALA A 146 -1.050 2.511 -5.820 1.00 0.00 H new ATOM 327 N SER A 147 -1.080 0.007 -7.149 1.00 0.00 N ATOM 328 CA SER A 147 -1.862 -0.864 -8.018 1.00 0.00 C ATOM 329 C SER A 147 -1.235 -2.255 -8.127 1.00 0.00 C ATOM 330 O SER A 147 -1.878 -3.197 -8.590 1.00 0.00 O ATOM 331 CB SER A 147 -1.993 -0.243 -9.409 1.00 0.00 C ATOM 332 OG SER A 147 -3.216 0.462 -9.541 1.00 0.00 O ATOM 0 H SER A 147 -0.664 0.810 -7.621 1.00 0.00 H new ATOM 0 HA SER A 147 -2.852 -0.972 -7.575 1.00 0.00 H new ATOM 0 HB2 SER A 147 -1.158 0.435 -9.588 1.00 0.00 H new ATOM 0 HB3 SER A 147 -1.937 -1.025 -10.166 1.00 0.00 H new ATOM 0 HG SER A 147 -3.274 0.851 -10.439 1.00 0.00 H new ATOM 338 N ALA A 148 0.021 -2.380 -7.706 1.00 0.00 N ATOM 339 CA ALA A 148 0.721 -3.658 -7.766 1.00 0.00 C ATOM 340 C ALA A 148 0.558 -4.450 -6.471 1.00 0.00 C ATOM 341 O ALA A 148 0.835 -5.649 -6.433 1.00 0.00 O ATOM 342 CB ALA A 148 2.196 -3.436 -8.067 1.00 0.00 C ATOM 0 H ALA A 148 0.573 -1.614 -7.321 1.00 0.00 H new ATOM 0 HA ALA A 148 0.276 -4.244 -8.570 1.00 0.00 H new ATOM 0 HB1 ALA A 148 2.707 -4.398 -8.109 1.00 0.00 H new ATOM 0 HB2 ALA A 148 2.299 -2.928 -9.026 1.00 0.00 H new ATOM 0 HB3 ALA A 148 2.639 -2.823 -7.282 1.00 0.00 H new ATOM 348 N ILE A 149 0.114 -3.779 -5.411 1.00 0.00 N ATOM 349 CA ILE A 149 -0.074 -4.434 -4.121 1.00 0.00 C ATOM 350 C ILE A 149 -1.539 -4.394 -3.693 1.00 0.00 C ATOM 351 O ILE A 149 -2.334 -3.626 -4.233 1.00 0.00 O ATOM 352 CB ILE A 149 0.798 -3.787 -3.024 1.00 0.00 C ATOM 353 CG1 ILE A 149 2.159 -3.378 -3.600 1.00 0.00 C ATOM 354 CG2 ILE A 149 0.975 -4.747 -1.854 1.00 0.00 C ATOM 355 CD1 ILE A 149 3.125 -2.843 -2.565 1.00 0.00 C ATOM 0 H ILE A 149 -0.121 -2.787 -5.420 1.00 0.00 H new ATOM 0 HA ILE A 149 0.234 -5.472 -4.245 1.00 0.00 H new ATOM 0 HB ILE A 149 0.296 -2.891 -2.659 1.00 0.00 H new ATOM 0 HG12 ILE A 149 2.609 -4.241 -4.092 1.00 0.00 H new ATOM 0 HG13 ILE A 149 2.005 -2.619 -4.367 1.00 0.00 H new ATOM 0 HG21 ILE A 149 1.592 -4.277 -1.088 1.00 0.00 H new ATOM 0 HG22 ILE A 149 -0.000 -4.992 -1.434 1.00 0.00 H new ATOM 0 HG23 ILE A 149 1.460 -5.659 -2.202 1.00 0.00 H new ATOM 0 HD11 ILE A 149 4.065 -2.575 -3.048 1.00 0.00 H new ATOM 0 HD12 ILE A 149 2.697 -1.960 -2.090 1.00 0.00 H new ATOM 0 HD13 ILE A 149 3.310 -3.608 -1.811 1.00 0.00 H new ATOM 367 N LYS A 150 -1.890 -5.236 -2.723 1.00 0.00 N ATOM 368 CA LYS A 150 -3.260 -5.310 -2.222 1.00 0.00 C ATOM 369 C LYS A 150 -3.800 -3.930 -1.861 1.00 0.00 C ATOM 370 O LYS A 150 -3.053 -3.048 -1.441 1.00 0.00 O ATOM 371 CB LYS A 150 -3.326 -6.228 -1.000 1.00 0.00 C ATOM 372 CG LYS A 150 -3.444 -7.702 -1.351 1.00 0.00 C ATOM 373 CD LYS A 150 -3.791 -8.540 -0.131 1.00 0.00 C ATOM 374 CE LYS A 150 -4.534 -9.809 -0.519 1.00 0.00 C ATOM 375 NZ LYS A 150 -3.601 -10.933 -0.806 1.00 0.00 N ATOM 0 H LYS A 150 -1.242 -5.878 -2.267 1.00 0.00 H new ATOM 0 HA LYS A 150 -3.882 -5.719 -3.018 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -2.432 -6.078 -0.395 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -4.179 -5.940 -0.386 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -4.210 -7.835 -2.115 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -2.504 -8.052 -1.778 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -2.878 -8.801 0.404 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -4.404 -7.953 0.553 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -5.210 -10.095 0.287 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -5.150 -9.615 -1.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -4.147 -11.779 -1.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -2.973 -10.671 -1.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -3.031 -11.136 0.040 1.00 0.00 H new ATOM 389 N GLY A 151 -5.107 -3.755 -2.025 1.00 0.00 N ATOM 390 CA GLY A 151 -5.737 -2.487 -1.713 1.00 0.00 C ATOM 391 C GLY A 151 -7.164 -2.662 -1.234 1.00 0.00 C ATOM 392 O GLY A 151 -8.098 -2.659 -2.036 1.00 0.00 O ATOM 0 H GLY A 151 -5.743 -4.473 -2.370 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -5.158 -1.974 -0.945 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -5.728 -1.851 -2.598 1.00 0.00 H new ATOM 396 N THR A 152 -7.334 -2.820 0.075 1.00 0.00 N ATOM 397 CA THR A 152 -8.660 -3.003 0.657 1.00 0.00 C ATOM 398 C THR A 152 -9.008 -1.854 1.599 1.00 0.00 C ATOM 399 O THR A 152 -9.671 -2.051 2.617 1.00 0.00 O ATOM 400 CB THR A 152 -8.728 -4.333 1.410 1.00 0.00 C ATOM 401 OG1 THR A 152 -7.464 -4.663 1.959 1.00 0.00 O ATOM 402 CG2 THR A 152 -9.167 -5.490 0.540 1.00 0.00 C ATOM 0 H THR A 152 -6.571 -2.825 0.752 1.00 0.00 H new ATOM 0 HA THR A 152 -9.387 -3.013 -0.155 1.00 0.00 H new ATOM 0 HB THR A 152 -9.472 -4.185 2.193 1.00 0.00 H new ATOM 0 HG1 THR A 152 -7.528 -5.516 2.438 1.00 0.00 H new ATOM 0 HG21 THR A 152 -9.194 -6.403 1.135 1.00 0.00 H new ATOM 0 HG22 THR A 152 -10.161 -5.288 0.140 1.00 0.00 H new ATOM 0 HG23 THR A 152 -8.463 -5.614 -0.283 1.00 0.00 H new ATOM 410 N GLY A 153 -8.558 -0.653 1.249 1.00 0.00 N ATOM 411 CA GLY A 153 -8.833 0.511 2.070 1.00 0.00 C ATOM 412 C GLY A 153 -10.313 0.827 2.156 1.00 0.00 C ATOM 413 O GLY A 153 -11.135 -0.067 2.362 1.00 0.00 O ATOM 0 H GLY A 153 -8.008 -0.466 0.411 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -8.442 0.344 3.074 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -8.304 1.372 1.661 1.00 0.00 H new ATOM 417 N VAL A 154 -10.656 2.101 1.998 1.00 0.00 N ATOM 418 CA VAL A 154 -12.047 2.532 2.060 1.00 0.00 C ATOM 419 C VAL A 154 -12.735 2.369 0.707 1.00 0.00 C ATOM 420 O VAL A 154 -13.187 3.343 0.105 1.00 0.00 O ATOM 421 CB VAL A 154 -12.162 4.001 2.511 1.00 0.00 C ATOM 422 CG1 VAL A 154 -13.612 4.362 2.796 1.00 0.00 C ATOM 423 CG2 VAL A 154 -11.292 4.257 3.731 1.00 0.00 C ATOM 0 H VAL A 154 -9.989 2.853 1.826 1.00 0.00 H new ATOM 0 HA VAL A 154 -12.542 1.896 2.794 1.00 0.00 H new ATOM 0 HB VAL A 154 -11.806 4.637 1.701 1.00 0.00 H new ATOM 0 HG11 VAL A 154 -13.672 5.403 3.113 1.00 0.00 H new ATOM 0 HG12 VAL A 154 -14.206 4.223 1.893 1.00 0.00 H new ATOM 0 HG13 VAL A 154 -13.998 3.719 3.587 1.00 0.00 H new ATOM 0 HG21 VAL A 154 -11.387 5.300 4.034 1.00 0.00 H new ATOM 0 HG22 VAL A 154 -11.613 3.611 4.548 1.00 0.00 H new ATOM 0 HG23 VAL A 154 -10.251 4.044 3.487 1.00 0.00 H new ATOM 433 N GLY A 155 -12.812 1.129 0.236 1.00 0.00 N ATOM 434 CA GLY A 155 -13.447 0.858 -1.042 1.00 0.00 C ATOM 435 C GLY A 155 -12.494 0.256 -2.059 1.00 0.00 C ATOM 436 O GLY A 155 -12.824 0.158 -3.241 1.00 0.00 O ATOM 0 H GLY A 155 -12.446 0.306 0.716 1.00 0.00 H new ATOM 0 HA2 GLY A 155 -14.284 0.177 -0.889 1.00 0.00 H new ATOM 0 HA3 GLY A 155 -13.859 1.785 -1.441 1.00 0.00 H new ATOM 440 N GLY A 156 -11.311 -0.150 -1.604 1.00 0.00 N ATOM 441 CA GLY A 156 -10.337 -0.742 -2.502 1.00 0.00 C ATOM 442 C GLY A 156 -9.072 0.088 -2.620 1.00 0.00 C ATOM 443 O GLY A 156 -8.486 0.187 -3.698 1.00 0.00 O ATOM 0 H GLY A 156 -11.011 -0.079 -0.632 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -10.080 -1.740 -2.147 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -10.783 -0.860 -3.489 1.00 0.00 H new ATOM 447 N ARG A 157 -8.651 0.686 -1.509 1.00 0.00 N ATOM 448 CA ARG A 157 -7.449 1.513 -1.494 1.00 0.00 C ATOM 449 C ARG A 157 -6.279 0.773 -0.849 1.00 0.00 C ATOM 450 O ARG A 157 -6.467 -0.239 -0.174 1.00 0.00 O ATOM 451 CB ARG A 157 -7.711 2.821 -0.743 1.00 0.00 C ATOM 452 CG ARG A 157 -9.105 3.388 -0.969 1.00 0.00 C ATOM 453 CD ARG A 157 -9.073 4.896 -1.165 1.00 0.00 C ATOM 454 NE ARG A 157 -9.963 5.588 -0.234 1.00 0.00 N ATOM 455 CZ ARG A 157 -10.400 6.833 -0.412 1.00 0.00 C ATOM 456 NH1 ARG A 157 -10.030 7.528 -1.480 1.00 0.00 N ATOM 457 NH2 ARG A 157 -11.207 7.385 0.483 1.00 0.00 N ATOM 0 H ARG A 157 -9.124 0.613 -0.608 1.00 0.00 H new ATOM 0 HA ARG A 157 -7.187 1.738 -2.528 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -7.566 2.652 0.324 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -6.973 3.561 -1.052 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -9.552 2.917 -1.844 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -9.739 3.145 -0.117 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -8.054 5.258 -1.029 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -9.362 5.135 -2.188 1.00 0.00 H new ATOM 0 HE ARG A 157 -10.267 5.087 0.601 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -9.407 7.109 -2.171 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -10.368 8.481 -1.610 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -11.493 6.856 1.307 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -11.542 8.339 0.348 1.00 0.00 H new ATOM 471 N LEU A 158 -5.072 1.288 -1.061 1.00 0.00 N ATOM 472 CA LEU A 158 -3.867 0.683 -0.502 1.00 0.00 C ATOM 473 C LEU A 158 -3.796 0.918 1.005 1.00 0.00 C ATOM 474 O LEU A 158 -4.075 2.019 1.481 1.00 0.00 O ATOM 475 CB LEU A 158 -2.626 1.271 -1.177 1.00 0.00 C ATOM 476 CG LEU A 158 -1.415 0.337 -1.252 1.00 0.00 C ATOM 477 CD1 LEU A 158 -1.027 -0.155 0.133 1.00 0.00 C ATOM 478 CD2 LEU A 158 -1.705 -0.836 -2.175 1.00 0.00 C ATOM 0 H LEU A 158 -4.902 2.126 -1.618 1.00 0.00 H new ATOM 0 HA LEU A 158 -3.903 -0.391 -0.686 1.00 0.00 H new ATOM 0 HB2 LEU A 158 -2.893 1.574 -2.189 1.00 0.00 H new ATOM 0 HB3 LEU A 158 -2.335 2.174 -0.640 1.00 0.00 H new ATOM 0 HG LEU A 158 -0.575 0.898 -1.660 1.00 0.00 H new ATOM 0 HD11 LEU A 158 -0.164 -0.817 0.056 1.00 0.00 H new ATOM 0 HD12 LEU A 158 -0.775 0.697 0.764 1.00 0.00 H new ATOM 0 HD13 LEU A 158 -1.863 -0.698 0.574 1.00 0.00 H new ATOM 0 HD21 LEU A 158 -0.834 -1.490 -2.217 1.00 0.00 H new ATOM 0 HD22 LEU A 158 -2.560 -1.395 -1.795 1.00 0.00 H new ATOM 0 HD23 LEU A 158 -1.929 -0.465 -3.175 1.00 0.00 H new ATOM 490 N THR A 159 -3.421 -0.116 1.754 1.00 0.00 N ATOM 491 CA THR A 159 -3.316 -0.001 3.206 1.00 0.00 C ATOM 492 C THR A 159 -2.027 -0.635 3.721 1.00 0.00 C ATOM 493 O THR A 159 -1.429 -1.486 3.059 1.00 0.00 O ATOM 494 CB THR A 159 -4.527 -0.649 3.884 1.00 0.00 C ATOM 495 OG1 THR A 159 -5.278 -1.411 2.956 1.00 0.00 O ATOM 496 CG2 THR A 159 -5.465 0.356 4.518 1.00 0.00 C ATOM 0 H THR A 159 -3.186 -1.037 1.383 1.00 0.00 H new ATOM 0 HA THR A 159 -3.295 1.060 3.454 1.00 0.00 H new ATOM 0 HB THR A 159 -4.112 -1.283 4.668 1.00 0.00 H new ATOM 0 HG1 THR A 159 -4.679 -2.010 2.464 1.00 0.00 H new ATOM 0 HG21 THR A 159 -6.301 -0.168 4.981 1.00 0.00 H new ATOM 0 HG22 THR A 159 -4.929 0.925 5.277 1.00 0.00 H new ATOM 0 HG23 THR A 159 -5.841 1.035 3.753 1.00 0.00 H new ATOM 504 N ARG A 160 -1.606 -0.217 4.913 1.00 0.00 N ATOM 505 CA ARG A 160 -0.390 -0.745 5.523 1.00 0.00 C ATOM 506 C ARG A 160 -0.461 -2.263 5.621 1.00 0.00 C ATOM 507 O ARG A 160 0.541 -2.956 5.438 1.00 0.00 O ATOM 508 CB ARG A 160 -0.184 -0.139 6.913 1.00 0.00 C ATOM 509 CG ARG A 160 1.278 -0.006 7.308 1.00 0.00 C ATOM 510 CD ARG A 160 1.550 1.313 8.017 1.00 0.00 C ATOM 511 NE ARG A 160 2.318 1.125 9.245 1.00 0.00 N ATOM 512 CZ ARG A 160 3.638 0.950 9.276 1.00 0.00 C ATOM 513 NH1 ARG A 160 4.339 0.935 8.149 1.00 0.00 N ATOM 514 NH2 ARG A 160 4.258 0.788 10.437 1.00 0.00 N ATOM 0 H ARG A 160 -2.089 0.485 5.474 1.00 0.00 H new ATOM 0 HA ARG A 160 0.457 -0.473 4.893 1.00 0.00 H new ATOM 0 HB2 ARG A 160 -0.651 0.845 6.944 1.00 0.00 H new ATOM 0 HB3 ARG A 160 -0.696 -0.758 7.650 1.00 0.00 H new ATOM 0 HG2 ARG A 160 1.556 -0.834 7.960 1.00 0.00 H new ATOM 0 HG3 ARG A 160 1.904 -0.077 6.418 1.00 0.00 H new ATOM 0 HD2 ARG A 160 2.094 1.979 7.347 1.00 0.00 H new ATOM 0 HD3 ARG A 160 0.604 1.800 8.252 1.00 0.00 H new ATOM 0 HE ARG A 160 1.814 1.128 10.132 1.00 0.00 H new ATOM 0 HH11 ARG A 160 3.867 1.058 7.253 1.00 0.00 H new ATOM 0 HH12 ARG A 160 5.350 0.801 8.179 1.00 0.00 H new ATOM 0 HH21 ARG A 160 3.724 0.797 11.306 1.00 0.00 H new ATOM 0 HH22 ARG A 160 5.269 0.654 10.461 1.00 0.00 H new ATOM 528 N GLU A 161 -1.657 -2.772 5.890 1.00 0.00 N ATOM 529 CA GLU A 161 -1.865 -4.209 5.988 1.00 0.00 C ATOM 530 C GLU A 161 -1.564 -4.868 4.649 1.00 0.00 C ATOM 531 O GLU A 161 -1.011 -5.966 4.592 1.00 0.00 O ATOM 532 CB GLU A 161 -3.304 -4.513 6.414 1.00 0.00 C ATOM 533 CG GLU A 161 -3.710 -3.835 7.711 1.00 0.00 C ATOM 534 CD GLU A 161 -3.091 -4.491 8.930 1.00 0.00 C ATOM 535 OE1 GLU A 161 -3.214 -5.727 9.065 1.00 0.00 O ATOM 536 OE2 GLU A 161 -2.486 -3.770 9.751 1.00 0.00 O ATOM 0 H GLU A 161 -2.495 -2.211 6.044 1.00 0.00 H new ATOM 0 HA GLU A 161 -1.189 -4.611 6.743 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -3.983 -4.199 5.621 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -3.421 -5.591 6.525 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -3.413 -2.787 7.677 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -4.796 -3.856 7.803 1.00 0.00 H new ATOM 543 N ASP A 162 -1.922 -4.177 3.571 1.00 0.00 N ATOM 544 CA ASP A 162 -1.684 -4.682 2.227 1.00 0.00 C ATOM 545 C ASP A 162 -0.189 -4.789 1.960 1.00 0.00 C ATOM 546 O ASP A 162 0.299 -5.820 1.497 1.00 0.00 O ATOM 547 CB ASP A 162 -2.334 -3.764 1.192 1.00 0.00 C ATOM 548 CG ASP A 162 -3.844 -3.725 1.319 1.00 0.00 C ATOM 549 OD1 ASP A 162 -4.433 -4.754 1.709 1.00 0.00 O ATOM 550 OD2 ASP A 162 -4.435 -2.664 1.030 1.00 0.00 O ATOM 0 H ASP A 162 -2.378 -3.265 3.604 1.00 0.00 H new ATOM 0 HA ASP A 162 -2.129 -5.674 2.147 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -1.937 -2.755 1.305 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -2.065 -4.102 0.191 1.00 0.00 H new ATOM 555 N VAL A 163 0.535 -3.716 2.262 1.00 0.00 N ATOM 556 CA VAL A 163 1.978 -3.691 2.061 1.00 0.00 C ATOM 557 C VAL A 163 2.662 -4.753 2.915 1.00 0.00 C ATOM 558 O VAL A 163 3.701 -5.293 2.536 1.00 0.00 O ATOM 559 CB VAL A 163 2.574 -2.310 2.397 1.00 0.00 C ATOM 560 CG1 VAL A 163 4.053 -2.263 2.047 1.00 0.00 C ATOM 561 CG2 VAL A 163 1.813 -1.211 1.672 1.00 0.00 C ATOM 0 H VAL A 163 0.146 -2.855 2.646 1.00 0.00 H new ATOM 0 HA VAL A 163 2.156 -3.901 1.006 1.00 0.00 H new ATOM 0 HB VAL A 163 2.475 -2.145 3.470 1.00 0.00 H new ATOM 0 HG11 VAL A 163 4.454 -1.279 2.292 1.00 0.00 H new ATOM 0 HG12 VAL A 163 4.586 -3.024 2.617 1.00 0.00 H new ATOM 0 HG13 VAL A 163 4.181 -2.451 0.981 1.00 0.00 H new ATOM 0 HG21 VAL A 163 2.247 -0.243 1.921 1.00 0.00 H new ATOM 0 HG22 VAL A 163 1.878 -1.372 0.596 1.00 0.00 H new ATOM 0 HG23 VAL A 163 0.767 -1.229 1.979 1.00 0.00 H new ATOM 571 N GLU A 164 2.070 -5.051 4.068 1.00 0.00 N ATOM 572 CA GLU A 164 2.621 -6.054 4.968 1.00 0.00 C ATOM 573 C GLU A 164 2.524 -7.442 4.340 1.00 0.00 C ATOM 574 O GLU A 164 3.499 -8.194 4.316 1.00 0.00 O ATOM 575 CB GLU A 164 1.897 -6.003 6.322 1.00 0.00 C ATOM 576 CG GLU A 164 1.017 -7.209 6.607 1.00 0.00 C ATOM 577 CD GLU A 164 0.337 -7.130 7.960 1.00 0.00 C ATOM 578 OE1 GLU A 164 1.029 -7.309 8.984 1.00 0.00 O ATOM 579 OE2 GLU A 164 -0.889 -6.888 7.996 1.00 0.00 O ATOM 0 H GLU A 164 1.211 -4.612 4.399 1.00 0.00 H new ATOM 0 HA GLU A 164 3.676 -5.838 5.139 1.00 0.00 H new ATOM 0 HB2 GLU A 164 2.640 -5.915 7.115 1.00 0.00 H new ATOM 0 HB3 GLU A 164 1.283 -5.103 6.359 1.00 0.00 H new ATOM 0 HG2 GLU A 164 0.259 -7.293 5.828 1.00 0.00 H new ATOM 0 HG3 GLU A 164 1.622 -8.114 6.561 1.00 0.00 H new ATOM 586 N LYS A 165 1.343 -7.771 3.826 1.00 0.00 N ATOM 587 CA LYS A 165 1.122 -9.064 3.189 1.00 0.00 C ATOM 588 C LYS A 165 2.063 -9.242 2.002 1.00 0.00 C ATOM 589 O LYS A 165 2.643 -10.310 1.809 1.00 0.00 O ATOM 590 CB LYS A 165 -0.331 -9.190 2.726 1.00 0.00 C ATOM 591 CG LYS A 165 -1.342 -9.143 3.862 1.00 0.00 C ATOM 592 CD LYS A 165 -0.997 -10.137 4.961 1.00 0.00 C ATOM 593 CE LYS A 165 -2.030 -10.117 6.075 1.00 0.00 C ATOM 594 NZ LYS A 165 -2.986 -11.254 5.968 1.00 0.00 N ATOM 0 H LYS A 165 0.526 -7.161 3.838 1.00 0.00 H new ATOM 0 HA LYS A 165 1.328 -9.845 3.921 1.00 0.00 H new ATOM 0 HB2 LYS A 165 -0.550 -8.386 2.023 1.00 0.00 H new ATOM 0 HB3 LYS A 165 -0.450 -10.128 2.184 1.00 0.00 H new ATOM 0 HG2 LYS A 165 -1.375 -8.136 4.279 1.00 0.00 H new ATOM 0 HG3 LYS A 165 -2.337 -9.360 3.473 1.00 0.00 H new ATOM 0 HD2 LYS A 165 -0.935 -11.140 4.539 1.00 0.00 H new ATOM 0 HD3 LYS A 165 -0.015 -9.902 5.370 1.00 0.00 H new ATOM 0 HE2 LYS A 165 -1.524 -10.158 7.040 1.00 0.00 H new ATOM 0 HE3 LYS A 165 -2.580 -9.176 6.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 -3.674 -11.204 6.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 -3.488 -11.201 5.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 -2.465 -12.152 6.024 1.00 0.00 H new ATOM 608 N TRP A 166 2.217 -8.180 1.215 1.00 0.00 N ATOM 609 CA TRP A 166 3.095 -8.211 0.052 1.00 0.00 C ATOM 610 C TRP A 166 4.548 -8.355 0.491 1.00 0.00 C ATOM 611 O TRP A 166 5.305 -9.146 -0.073 1.00 0.00 O ATOM 612 CB TRP A 166 2.916 -6.933 -0.773 1.00 0.00 C ATOM 613 CG TRP A 166 3.897 -6.796 -1.899 1.00 0.00 C ATOM 614 CD1 TRP A 166 3.688 -7.098 -3.214 1.00 0.00 C ATOM 615 CD2 TRP A 166 5.242 -6.316 -1.808 1.00 0.00 C ATOM 616 NE1 TRP A 166 4.825 -6.841 -3.944 1.00 0.00 N ATOM 617 CE2 TRP A 166 5.792 -6.361 -3.103 1.00 0.00 C ATOM 618 CE3 TRP A 166 6.035 -5.855 -0.756 1.00 0.00 C ATOM 619 CZ2 TRP A 166 7.099 -5.964 -3.371 1.00 0.00 C ATOM 620 CZ3 TRP A 166 7.332 -5.459 -1.023 1.00 0.00 C ATOM 621 CH2 TRP A 166 7.853 -5.516 -2.322 1.00 0.00 C ATOM 0 H TRP A 166 1.745 -7.288 1.363 1.00 0.00 H new ATOM 0 HA TRP A 166 2.831 -9.070 -0.565 1.00 0.00 H new ATOM 0 HB2 TRP A 166 1.905 -6.913 -1.180 1.00 0.00 H new ATOM 0 HB3 TRP A 166 3.011 -6.070 -0.114 1.00 0.00 H new ATOM 0 HD1 TRP A 166 2.765 -7.483 -3.621 1.00 0.00 H new ATOM 0 HE1 TRP A 166 4.930 -6.985 -4.948 1.00 0.00 H new ATOM 0 HE3 TRP A 166 5.642 -5.809 0.249 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 7.503 -6.008 -4.372 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 7.954 -5.100 -0.217 1.00 0.00 H new ATOM 0 HH2 TRP A 166 8.870 -5.200 -2.499 1.00 0.00 H new ATOM 632 N LEU A 167 4.927 -7.585 1.504 1.00 0.00 N ATOM 633 CA LEU A 167 6.287 -7.619 2.029 1.00 0.00 C ATOM 634 C LEU A 167 6.655 -9.022 2.499 1.00 0.00 C ATOM 635 O LEU A 167 7.801 -9.452 2.365 1.00 0.00 O ATOM 636 CB LEU A 167 6.432 -6.627 3.185 1.00 0.00 C ATOM 637 CG LEU A 167 6.689 -5.180 2.765 1.00 0.00 C ATOM 638 CD1 LEU A 167 6.419 -4.228 3.922 1.00 0.00 C ATOM 639 CD2 LEU A 167 8.115 -5.020 2.261 1.00 0.00 C ATOM 0 H LEU A 167 4.309 -6.927 1.980 1.00 0.00 H new ATOM 0 HA LEU A 167 6.968 -7.335 1.226 1.00 0.00 H new ATOM 0 HB2 LEU A 167 5.524 -6.659 3.788 1.00 0.00 H new ATOM 0 HB3 LEU A 167 7.251 -6.955 3.825 1.00 0.00 H new ATOM 0 HG LEU A 167 6.006 -4.931 1.953 1.00 0.00 H new ATOM 0 HD11 LEU A 167 6.608 -3.203 3.602 1.00 0.00 H new ATOM 0 HD12 LEU A 167 5.380 -4.324 4.237 1.00 0.00 H new ATOM 0 HD13 LEU A 167 7.075 -4.474 4.757 1.00 0.00 H new ATOM 0 HD21 LEU A 167 8.282 -3.984 1.966 1.00 0.00 H new ATOM 0 HD22 LEU A 167 8.813 -5.289 3.054 1.00 0.00 H new ATOM 0 HD23 LEU A 167 8.273 -5.672 1.402 1.00 0.00 H new ATOM 651 N ALA A 168 5.676 -9.730 3.051 1.00 0.00 N ATOM 652 CA ALA A 168 5.896 -11.085 3.542 1.00 0.00 C ATOM 653 C ALA A 168 5.808 -12.102 2.409 1.00 0.00 C ATOM 654 O ALA A 168 6.468 -13.140 2.441 1.00 0.00 O ATOM 655 CB ALA A 168 4.890 -11.420 4.633 1.00 0.00 C ATOM 0 H ALA A 168 4.722 -9.388 3.170 1.00 0.00 H new ATOM 0 HA ALA A 168 6.901 -11.134 3.961 1.00 0.00 H new ATOM 0 HB1 ALA A 168 5.066 -12.435 4.991 1.00 0.00 H new ATOM 0 HB2 ALA A 168 5.003 -10.719 5.460 1.00 0.00 H new ATOM 0 HB3 ALA A 168 3.879 -11.347 4.231 1.00 0.00 H new ATOM 661 N LYS A 169 4.989 -11.797 1.408 1.00 0.00 N ATOM 662 CA LYS A 169 4.815 -12.685 0.265 1.00 0.00 C ATOM 663 C LYS A 169 5.997 -12.578 -0.693 1.00 0.00 C ATOM 664 O LYS A 169 6.365 -13.551 -1.351 1.00 0.00 O ATOM 665 CB LYS A 169 3.515 -12.355 -0.472 1.00 0.00 C ATOM 666 CG LYS A 169 2.276 -12.939 0.192 1.00 0.00 C ATOM 667 CD LYS A 169 1.488 -13.823 -0.765 1.00 0.00 C ATOM 668 CE LYS A 169 1.115 -15.151 -0.122 1.00 0.00 C ATOM 669 NZ LYS A 169 1.863 -16.288 -0.725 1.00 0.00 N ATOM 0 H LYS A 169 4.435 -10.941 1.365 1.00 0.00 H new ATOM 0 HA LYS A 169 4.764 -13.708 0.637 1.00 0.00 H new ATOM 0 HB2 LYS A 169 3.407 -11.272 -0.535 1.00 0.00 H new ATOM 0 HB3 LYS A 169 3.581 -12.729 -1.494 1.00 0.00 H new ATOM 0 HG2 LYS A 169 2.571 -13.521 1.065 1.00 0.00 H new ATOM 0 HG3 LYS A 169 1.639 -12.130 0.548 1.00 0.00 H new ATOM 0 HD2 LYS A 169 0.583 -13.303 -1.080 1.00 0.00 H new ATOM 0 HD3 LYS A 169 2.079 -14.006 -1.663 1.00 0.00 H new ATOM 0 HE2 LYS A 169 1.321 -15.107 0.947 1.00 0.00 H new ATOM 0 HE3 LYS A 169 0.044 -15.321 -0.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 1.581 -17.175 -0.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 1.647 -16.346 -1.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 2.884 -16.139 -0.596 1.00 0.00 H new ATOM 683 N ALA A 170 6.587 -11.390 -0.765 1.00 0.00 N ATOM 684 CA ALA A 170 7.729 -11.156 -1.642 1.00 0.00 C ATOM 685 C ALA A 170 9.042 -11.435 -0.919 1.00 0.00 C ATOM 686 O ALA A 170 9.407 -10.640 -0.028 1.00 0.00 O ATOM 687 CB ALA A 170 7.706 -9.728 -2.167 1.00 0.00 C ATOM 688 OXT ALA A 170 9.695 -12.448 -1.250 1.00 0.00 O ATOM 0 H ALA A 170 6.294 -10.574 -0.227 1.00 0.00 H new ATOM 0 HA ALA A 170 7.656 -11.843 -2.485 1.00 0.00 H new ATOM 0 HB1 ALA A 170 8.564 -9.567 -2.820 1.00 0.00 H new ATOM 0 HB2 ALA A 170 6.786 -9.561 -2.728 1.00 0.00 H new ATOM 0 HB3 ALA A 170 7.752 -9.032 -1.330 1.00 0.00 H new