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 Set 1.1: A 152 THR OG1 : rot 60:sc= 0.938 USER MOD Set 1.2: A 159 THR OG1 : rot 29:sc= -0.132 USER MOD Single : A 132 SER OG : rot 69:sc= -2 USER MOD Single : A 142 HIS : no HE2:sc= -8.02! C(o=-8!,f=-8.9!) USER MOD Single : A 143 ASN : amide:sc= 0 K(o=0,f=-0.51) 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 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 -4.324 5.970 -2.016 1.00 0.00 N ATOM 71 CA LEU A 131 -3.137 5.768 -1.197 1.00 0.00 C ATOM 72 C LEU A 131 -3.180 6.644 0.052 1.00 0.00 C ATOM 73 O LEU A 131 -3.772 7.723 0.045 1.00 0.00 O ATOM 74 CB LEU A 131 -1.878 6.074 -2.010 1.00 0.00 C ATOM 75 CG LEU A 131 -1.212 4.856 -2.653 1.00 0.00 C ATOM 76 CD1 LEU A 131 -0.158 5.293 -3.659 1.00 0.00 C ATOM 77 CD2 LEU A 131 -0.596 3.963 -1.587 1.00 0.00 C ATOM 0 HA LEU A 131 -3.114 4.725 -0.882 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -2.134 6.786 -2.795 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -1.154 6.564 -1.359 1.00 0.00 H new ATOM 0 HG LEU A 131 -1.975 4.285 -3.182 1.00 0.00 H new ATOM 0 HD11 LEU A 131 0.305 4.413 -4.106 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -0.626 5.893 -4.439 1.00 0.00 H new ATOM 0 HD13 LEU A 131 0.604 5.886 -3.153 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -0.126 3.101 -2.061 1.00 0.00 H new ATOM 0 HD22 LEU A 131 0.154 4.525 -1.031 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -1.374 3.622 -0.904 1.00 0.00 H new ATOM 89 N SER A 132 -2.549 6.172 1.122 1.00 0.00 N ATOM 90 CA SER A 132 -2.515 6.913 2.378 1.00 0.00 C ATOM 91 C SER A 132 -1.232 7.732 2.494 1.00 0.00 C ATOM 92 O SER A 132 -0.229 7.423 1.853 1.00 0.00 O ATOM 93 CB SER A 132 -2.631 5.955 3.564 1.00 0.00 C ATOM 94 OG SER A 132 -3.735 5.080 3.409 1.00 0.00 O ATOM 0 H SER A 132 -2.054 5.280 1.145 1.00 0.00 H new ATOM 0 HA SER A 132 -3.363 7.597 2.389 1.00 0.00 H new ATOM 0 HB2 SER A 132 -1.713 5.374 3.657 1.00 0.00 H new ATOM 0 HB3 SER A 132 -2.742 6.525 4.486 1.00 0.00 H new ATOM 0 HG SER A 132 -3.557 4.456 2.675 1.00 0.00 H new ATOM 100 N PRO A 133 -1.250 8.795 3.317 1.00 0.00 N ATOM 101 CA PRO A 133 -0.083 9.663 3.514 1.00 0.00 C ATOM 102 C PRO A 133 1.133 8.894 4.022 1.00 0.00 C ATOM 103 O PRO A 133 2.202 8.932 3.411 1.00 0.00 O ATOM 104 CB PRO A 133 -0.553 10.672 4.569 1.00 0.00 C ATOM 105 CG PRO A 133 -2.040 10.642 4.495 1.00 0.00 C ATOM 106 CD PRO A 133 -2.406 9.236 4.117 1.00 0.00 C ATOM 0 HA PRO A 133 0.238 10.124 2.580 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -0.202 10.396 5.563 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -0.167 11.670 4.360 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -2.484 10.917 5.452 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -2.409 11.353 3.756 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -2.552 8.607 4.995 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -3.331 9.201 3.542 1.00 0.00 H new ATOM 114 N ALA A 134 0.967 8.202 5.145 1.00 0.00 N ATOM 115 CA ALA A 134 2.053 7.431 5.734 1.00 0.00 C ATOM 116 C ALA A 134 2.487 6.293 4.815 1.00 0.00 C ATOM 117 O ALA A 134 3.680 6.103 4.561 1.00 0.00 O ATOM 118 CB ALA A 134 1.634 6.885 7.091 1.00 0.00 C ATOM 0 H ALA A 134 0.090 8.160 5.664 1.00 0.00 H new ATOM 0 HA ALA A 134 2.906 8.097 5.867 1.00 0.00 H new ATOM 0 HB1 ALA A 134 2.454 6.310 7.521 1.00 0.00 H new ATOM 0 HB2 ALA A 134 1.384 7.713 7.755 1.00 0.00 H new ATOM 0 HB3 ALA A 134 0.763 6.240 6.971 1.00 0.00 H new ATOM 124 N ILE A 135 1.515 5.536 4.314 1.00 0.00 N ATOM 125 CA ILE A 135 1.816 4.426 3.424 1.00 0.00 C ATOM 126 C ILE A 135 2.547 4.910 2.181 1.00 0.00 C ATOM 127 O ILE A 135 3.535 4.314 1.772 1.00 0.00 O ATOM 128 CB ILE A 135 0.551 3.657 2.998 1.00 0.00 C ATOM 129 CG1 ILE A 135 -0.121 3.025 4.220 1.00 0.00 C ATOM 130 CG2 ILE A 135 0.904 2.590 1.967 1.00 0.00 C ATOM 131 CD1 ILE A 135 -1.626 2.930 4.100 1.00 0.00 C ATOM 0 H ILE A 135 0.523 5.671 4.508 1.00 0.00 H new ATOM 0 HA ILE A 135 2.456 3.746 3.987 1.00 0.00 H new ATOM 0 HB ILE A 135 -0.150 4.357 2.543 1.00 0.00 H new ATOM 0 HG12 ILE A 135 0.287 2.026 4.373 1.00 0.00 H new ATOM 0 HG13 ILE A 135 0.129 3.610 5.105 1.00 0.00 H new ATOM 0 HG21 ILE A 135 0.001 2.054 1.674 1.00 0.00 H new ATOM 0 HG22 ILE A 135 1.345 3.063 1.090 1.00 0.00 H new ATOM 0 HG23 ILE A 135 1.618 1.889 2.399 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -2.035 2.473 5.001 1.00 0.00 H new ATOM 0 HD12 ILE A 135 -2.045 3.929 3.978 1.00 0.00 H new ATOM 0 HD13 ILE A 135 -1.884 2.320 3.234 1.00 0.00 H new ATOM 143 N ARG A 136 2.062 5.995 1.583 1.00 0.00 N ATOM 144 CA ARG A 136 2.699 6.537 0.387 1.00 0.00 C ATOM 145 C ARG A 136 4.194 6.687 0.618 1.00 0.00 C ATOM 146 O ARG A 136 5.001 6.477 -0.288 1.00 0.00 O ATOM 147 CB ARG A 136 2.080 7.884 0.008 1.00 0.00 C ATOM 148 CG ARG A 136 1.069 7.792 -1.125 1.00 0.00 C ATOM 149 CD ARG A 136 1.413 8.741 -2.262 1.00 0.00 C ATOM 150 NE ARG A 136 0.750 8.367 -3.509 1.00 0.00 N ATOM 151 CZ ARG A 136 1.146 8.778 -4.712 1.00 0.00 C ATOM 152 NH1 ARG A 136 2.199 9.576 -4.835 1.00 0.00 N ATOM 153 NH2 ARG A 136 0.487 8.388 -5.795 1.00 0.00 N ATOM 0 H ARG A 136 1.241 6.510 1.902 1.00 0.00 H new ATOM 0 HA ARG A 136 2.537 5.844 -0.438 1.00 0.00 H new ATOM 0 HB2 ARG A 136 1.593 8.310 0.885 1.00 0.00 H new ATOM 0 HB3 ARG A 136 2.875 8.572 -0.281 1.00 0.00 H new ATOM 0 HG2 ARG A 136 1.036 6.770 -1.501 1.00 0.00 H new ATOM 0 HG3 ARG A 136 0.074 8.024 -0.745 1.00 0.00 H new ATOM 0 HD2 ARG A 136 1.123 9.755 -1.988 1.00 0.00 H new ATOM 0 HD3 ARG A 136 2.492 8.748 -2.414 1.00 0.00 H new ATOM 0 HE ARG A 136 -0.064 7.755 -3.455 1.00 0.00 H new ATOM 0 HH11 ARG A 136 2.710 9.878 -4.005 1.00 0.00 H new ATOM 0 HH12 ARG A 136 2.498 9.888 -5.759 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -0.322 7.774 -5.706 1.00 0.00 H new ATOM 0 HH22 ARG A 136 0.790 8.702 -6.717 1.00 0.00 H new ATOM 167 N ARG A 137 4.555 7.013 1.852 1.00 0.00 N ATOM 168 CA ARG A 137 5.952 7.148 2.220 1.00 0.00 C ATOM 169 C ARG A 137 6.586 5.767 2.260 1.00 0.00 C ATOM 170 O ARG A 137 7.704 5.564 1.786 1.00 0.00 O ATOM 171 CB ARG A 137 6.085 7.828 3.583 1.00 0.00 C ATOM 172 CG ARG A 137 7.413 8.543 3.782 1.00 0.00 C ATOM 173 CD ARG A 137 7.245 9.824 4.585 1.00 0.00 C ATOM 174 NE ARG A 137 7.754 10.990 3.868 1.00 0.00 N ATOM 175 CZ ARG A 137 7.088 11.614 2.899 1.00 0.00 C ATOM 176 NH1 ARG A 137 5.886 11.188 2.529 1.00 0.00 N ATOM 177 NH2 ARG A 137 7.625 12.667 2.297 1.00 0.00 N ATOM 0 H ARG A 137 3.898 7.188 2.612 1.00 0.00 H new ATOM 0 HA ARG A 137 6.462 7.767 1.482 1.00 0.00 H new ATOM 0 HB2 ARG A 137 5.274 8.547 3.701 1.00 0.00 H new ATOM 0 HB3 ARG A 137 5.964 7.079 4.366 1.00 0.00 H new ATOM 0 HG2 ARG A 137 8.110 7.880 4.295 1.00 0.00 H new ATOM 0 HG3 ARG A 137 7.850 8.776 2.811 1.00 0.00 H new ATOM 0 HD2 ARG A 137 6.190 9.972 4.815 1.00 0.00 H new ATOM 0 HD3 ARG A 137 7.768 9.727 5.536 1.00 0.00 H new ATOM 0 HE ARG A 137 8.674 11.347 4.125 1.00 0.00 H new ATOM 0 HH11 ARG A 137 5.468 10.379 2.988 1.00 0.00 H new ATOM 0 HH12 ARG A 137 5.380 11.670 1.786 1.00 0.00 H new ATOM 0 HH21 ARG A 137 8.548 12.998 2.577 1.00 0.00 H new ATOM 0 HH22 ARG A 137 7.115 13.145 1.554 1.00 0.00 H new ATOM 191 N LEU A 138 5.846 4.814 2.822 1.00 0.00 N ATOM 192 CA LEU A 138 6.317 3.439 2.918 1.00 0.00 C ATOM 193 C LEU A 138 6.558 2.848 1.530 1.00 0.00 C ATOM 194 O LEU A 138 7.644 2.347 1.242 1.00 0.00 O ATOM 195 CB LEU A 138 5.304 2.577 3.675 1.00 0.00 C ATOM 196 CG LEU A 138 5.716 1.117 3.858 1.00 0.00 C ATOM 197 CD1 LEU A 138 6.955 1.021 4.734 1.00 0.00 C ATOM 198 CD2 LEU A 138 4.578 0.305 4.454 1.00 0.00 C ATOM 0 H LEU A 138 4.919 4.971 3.217 1.00 0.00 H new ATOM 0 HA LEU A 138 7.260 3.446 3.465 1.00 0.00 H new ATOM 0 HB2 LEU A 138 5.135 3.018 4.657 1.00 0.00 H new ATOM 0 HB3 LEU A 138 4.353 2.608 3.144 1.00 0.00 H new ATOM 0 HG LEU A 138 5.951 0.703 2.877 1.00 0.00 H new ATOM 0 HD11 LEU A 138 7.235 -0.025 4.854 1.00 0.00 H new ATOM 0 HD12 LEU A 138 7.775 1.565 4.265 1.00 0.00 H new ATOM 0 HD13 LEU A 138 6.744 1.455 5.711 1.00 0.00 H new ATOM 0 HD21 LEU A 138 4.895 -0.731 4.575 1.00 0.00 H new ATOM 0 HD22 LEU A 138 4.307 0.717 5.426 1.00 0.00 H new ATOM 0 HD23 LEU A 138 3.715 0.345 3.789 1.00 0.00 H new ATOM 210 N LEU A 139 5.546 2.924 0.667 1.00 0.00 N ATOM 211 CA LEU A 139 5.664 2.404 -0.690 1.00 0.00 C ATOM 212 C LEU A 139 6.794 3.111 -1.418 1.00 0.00 C ATOM 213 O LEU A 139 7.543 2.498 -2.179 1.00 0.00 O ATOM 214 CB LEU A 139 4.349 2.591 -1.449 1.00 0.00 C ATOM 215 CG LEU A 139 3.250 1.587 -1.098 1.00 0.00 C ATOM 216 CD1 LEU A 139 1.877 2.212 -1.284 1.00 0.00 C ATOM 217 CD2 LEU A 139 3.387 0.331 -1.945 1.00 0.00 C ATOM 0 H LEU A 139 4.640 3.339 0.884 1.00 0.00 H new ATOM 0 HA LEU A 139 5.886 1.338 -0.639 1.00 0.00 H new ATOM 0 HB2 LEU A 139 3.976 3.597 -1.256 1.00 0.00 H new ATOM 0 HB3 LEU A 139 4.552 2.526 -2.518 1.00 0.00 H new ATOM 0 HG LEU A 139 3.359 1.308 -0.050 1.00 0.00 H new ATOM 0 HD11 LEU A 139 1.108 1.483 -1.030 1.00 0.00 H new ATOM 0 HD12 LEU A 139 1.782 3.082 -0.634 1.00 0.00 H new ATOM 0 HD13 LEU A 139 1.755 2.520 -2.322 1.00 0.00 H new ATOM 0 HD21 LEU A 139 2.597 -0.373 -1.682 1.00 0.00 H new ATOM 0 HD22 LEU A 139 3.304 0.593 -3.000 1.00 0.00 H new ATOM 0 HD23 LEU A 139 4.358 -0.128 -1.760 1.00 0.00 H new ATOM 229 N ALA A 140 6.919 4.406 -1.159 1.00 0.00 N ATOM 230 CA ALA A 140 7.971 5.206 -1.770 1.00 0.00 C ATOM 231 C ALA A 140 9.339 4.675 -1.360 1.00 0.00 C ATOM 232 O ALA A 140 10.285 4.684 -2.148 1.00 0.00 O ATOM 233 CB ALA A 140 7.824 6.668 -1.376 1.00 0.00 C ATOM 0 H ALA A 140 6.305 4.924 -0.530 1.00 0.00 H new ATOM 0 HA ALA A 140 7.881 5.134 -2.854 1.00 0.00 H new ATOM 0 HB1 ALA A 140 8.618 7.252 -1.841 1.00 0.00 H new ATOM 0 HB2 ALA A 140 6.856 7.040 -1.712 1.00 0.00 H new ATOM 0 HB3 ALA A 140 7.892 6.761 -0.292 1.00 0.00 H new ATOM 239 N GLU A 141 9.429 4.203 -0.119 1.00 0.00 N ATOM 240 CA GLU A 141 10.669 3.655 0.407 1.00 0.00 C ATOM 241 C GLU A 141 10.947 2.284 -0.195 1.00 0.00 C ATOM 242 O GLU A 141 12.048 2.012 -0.673 1.00 0.00 O ATOM 243 CB GLU A 141 10.598 3.548 1.932 1.00 0.00 C ATOM 244 CG GLU A 141 10.723 4.886 2.643 1.00 0.00 C ATOM 245 CD GLU A 141 10.833 4.737 4.148 1.00 0.00 C ATOM 246 OE1 GLU A 141 9.901 4.171 4.758 1.00 0.00 O ATOM 247 OE2 GLU A 141 11.850 5.186 4.716 1.00 0.00 O ATOM 0 H GLU A 141 8.652 4.191 0.541 1.00 0.00 H new ATOM 0 HA GLU A 141 11.482 4.328 0.135 1.00 0.00 H new ATOM 0 HB2 GLU A 141 9.652 3.085 2.212 1.00 0.00 H new ATOM 0 HB3 GLU A 141 11.392 2.886 2.279 1.00 0.00 H new ATOM 0 HG2 GLU A 141 11.601 5.412 2.268 1.00 0.00 H new ATOM 0 HG3 GLU A 141 9.856 5.503 2.405 1.00 0.00 H new ATOM 254 N HIS A 142 9.934 1.427 -0.168 1.00 0.00 N ATOM 255 CA HIS A 142 10.052 0.079 -0.712 1.00 0.00 C ATOM 256 C HIS A 142 10.139 0.108 -2.238 1.00 0.00 C ATOM 257 O HIS A 142 10.489 -0.893 -2.865 1.00 0.00 O ATOM 258 CB HIS A 142 8.857 -0.774 -0.279 1.00 0.00 C ATOM 259 CG HIS A 142 8.857 -1.118 1.178 1.00 0.00 C ATOM 260 ND1 HIS A 142 9.435 -2.265 1.682 1.00 0.00 N ATOM 261 CD2 HIS A 142 8.337 -0.464 2.245 1.00 0.00 C ATOM 262 CE1 HIS A 142 9.268 -2.301 2.993 1.00 0.00 C ATOM 263 NE2 HIS A 142 8.606 -1.220 3.358 1.00 0.00 N ATOM 0 H HIS A 142 9.018 1.642 0.226 1.00 0.00 H new ATOM 0 HA HIS A 142 10.970 -0.361 -0.322 1.00 0.00 H new ATOM 0 HB2 HIS A 142 7.937 -0.241 -0.517 1.00 0.00 H new ATOM 0 HB3 HIS A 142 8.851 -1.696 -0.861 1.00 0.00 H new ATOM 0 HD1 HIS A 142 9.916 -2.975 1.129 1.00 0.00 H new ATOM 0 HD2 HIS A 142 7.809 0.478 2.223 1.00 0.00 H new ATOM 0 HE1 HIS A 142 9.615 -3.083 3.653 1.00 0.00 H new ATOM 272 N ASN A 143 9.815 1.256 -2.830 1.00 0.00 N ATOM 273 CA ASN A 143 9.855 1.407 -4.280 1.00 0.00 C ATOM 274 C ASN A 143 8.860 0.463 -4.948 1.00 0.00 C ATOM 275 O ASN A 143 9.219 -0.307 -5.840 1.00 0.00 O ATOM 276 CB ASN A 143 11.268 1.143 -4.807 1.00 0.00 C ATOM 277 CG ASN A 143 12.163 2.360 -4.694 1.00 0.00 C ATOM 278 OD1 ASN A 143 12.114 3.092 -3.705 1.00 0.00 O ATOM 279 ND2 ASN A 143 12.988 2.583 -5.710 1.00 0.00 N ATOM 0 H ASN A 143 9.522 2.094 -2.327 1.00 0.00 H new ATOM 0 HA ASN A 143 9.576 2.432 -4.523 1.00 0.00 H new ATOM 0 HB2 ASN A 143 11.711 0.316 -4.252 1.00 0.00 H new ATOM 0 HB3 ASN A 143 11.212 0.832 -5.850 1.00 0.00 H new ATOM 0 HD21 ASN A 143 13.615 3.387 -5.691 1.00 0.00 H new ATOM 0 HD22 ASN A 143 12.995 1.950 -6.510 1.00 0.00 H new ATOM 286 N LEU A 144 7.607 0.525 -4.507 1.00 0.00 N ATOM 287 CA LEU A 144 6.560 -0.326 -5.060 1.00 0.00 C ATOM 288 C LEU A 144 5.449 0.507 -5.687 1.00 0.00 C ATOM 289 O LEU A 144 5.493 1.737 -5.671 1.00 0.00 O ATOM 290 CB LEU A 144 5.973 -1.226 -3.971 1.00 0.00 C ATOM 291 CG LEU A 144 6.993 -1.810 -2.998 1.00 0.00 C ATOM 292 CD1 LEU A 144 6.290 -2.500 -1.838 1.00 0.00 C ATOM 293 CD2 LEU A 144 7.917 -2.779 -3.717 1.00 0.00 C ATOM 0 H LEU A 144 7.293 1.155 -3.769 1.00 0.00 H new ATOM 0 HA LEU A 144 7.011 -0.945 -5.836 1.00 0.00 H new ATOM 0 HB2 LEU A 144 5.239 -0.653 -3.404 1.00 0.00 H new ATOM 0 HB3 LEU A 144 5.437 -2.047 -4.448 1.00 0.00 H new ATOM 0 HG LEU A 144 7.595 -0.994 -2.597 1.00 0.00 H new ATOM 0 HD11 LEU A 144 7.033 -2.910 -1.154 1.00 0.00 H new ATOM 0 HD12 LEU A 144 5.669 -1.778 -1.308 1.00 0.00 H new ATOM 0 HD13 LEU A 144 5.664 -3.306 -2.220 1.00 0.00 H new ATOM 0 HD21 LEU A 144 8.639 -3.187 -3.009 1.00 0.00 H new ATOM 0 HD22 LEU A 144 7.330 -3.591 -4.145 1.00 0.00 H new ATOM 0 HD23 LEU A 144 8.446 -2.255 -4.513 1.00 0.00 H new ATOM 305 N ASP A 145 4.454 -0.178 -6.235 1.00 0.00 N ATOM 306 CA ASP A 145 3.321 0.487 -6.868 1.00 0.00 C ATOM 307 C ASP A 145 2.009 0.014 -6.254 1.00 0.00 C ATOM 308 O ASP A 145 1.777 -1.186 -6.110 1.00 0.00 O ATOM 309 CB ASP A 145 3.320 0.217 -8.374 1.00 0.00 C ATOM 310 CG ASP A 145 2.314 1.077 -9.115 1.00 0.00 C ATOM 311 OD1 ASP A 145 1.104 0.776 -9.035 1.00 0.00 O ATOM 312 OD2 ASP A 145 2.736 2.050 -9.775 1.00 0.00 O ATOM 0 H ASP A 145 4.408 -1.197 -6.254 1.00 0.00 H new ATOM 0 HA ASP A 145 3.417 1.560 -6.700 1.00 0.00 H new ATOM 0 HB2 ASP A 145 4.317 0.402 -8.774 1.00 0.00 H new ATOM 0 HB3 ASP A 145 3.096 -0.835 -8.552 1.00 0.00 H new ATOM 317 N ALA A 146 1.155 0.964 -5.891 1.00 0.00 N ATOM 318 CA ALA A 146 -0.135 0.647 -5.288 1.00 0.00 C ATOM 319 C ALA A 146 -0.903 -0.369 -6.127 1.00 0.00 C ATOM 320 O ALA A 146 -1.440 -1.345 -5.601 1.00 0.00 O ATOM 321 CB ALA A 146 -0.955 1.916 -5.106 1.00 0.00 C ATOM 0 H ALA A 146 1.333 1.962 -6.004 1.00 0.00 H new ATOM 0 HA ALA A 146 0.048 0.201 -4.310 1.00 0.00 H new ATOM 0 HB1 ALA A 146 -1.916 1.667 -4.655 1.00 0.00 H new ATOM 0 HB2 ALA A 146 -0.417 2.607 -4.456 1.00 0.00 H new ATOM 0 HB3 ALA A 146 -1.120 2.385 -6.076 1.00 0.00 H new ATOM 327 N SER A 147 -0.949 -0.135 -7.434 1.00 0.00 N ATOM 328 CA SER A 147 -1.649 -1.029 -8.348 1.00 0.00 C ATOM 329 C SER A 147 -1.010 -2.418 -8.363 1.00 0.00 C ATOM 330 O SER A 147 -1.618 -3.383 -8.827 1.00 0.00 O ATOM 331 CB SER A 147 -1.656 -0.443 -9.761 1.00 0.00 C ATOM 332 OG SER A 147 -2.937 -0.560 -10.356 1.00 0.00 O ATOM 0 H SER A 147 -0.509 0.667 -7.884 1.00 0.00 H new ATOM 0 HA SER A 147 -2.676 -1.130 -7.996 1.00 0.00 H new ATOM 0 HB2 SER A 147 -1.363 0.606 -9.724 1.00 0.00 H new ATOM 0 HB3 SER A 147 -0.918 -0.959 -10.375 1.00 0.00 H new ATOM 0 HG SER A 147 -2.915 -0.177 -11.258 1.00 0.00 H new ATOM 338 N ALA A 148 0.217 -2.516 -7.857 1.00 0.00 N ATOM 339 CA ALA A 148 0.927 -3.789 -7.820 1.00 0.00 C ATOM 340 C ALA A 148 0.685 -4.523 -6.504 1.00 0.00 C ATOM 341 O ALA A 148 0.924 -5.726 -6.403 1.00 0.00 O ATOM 342 CB ALA A 148 2.417 -3.566 -8.034 1.00 0.00 C ATOM 0 H ALA A 148 0.738 -1.730 -7.468 1.00 0.00 H new ATOM 0 HA ALA A 148 0.541 -4.413 -8.626 1.00 0.00 H new ATOM 0 HB1 ALA A 148 2.936 -4.524 -8.004 1.00 0.00 H new ATOM 0 HB2 ALA A 148 2.579 -3.096 -9.004 1.00 0.00 H new ATOM 0 HB3 ALA A 148 2.805 -2.919 -7.247 1.00 0.00 H new ATOM 348 N ILE A 149 0.214 -3.794 -5.495 1.00 0.00 N ATOM 349 CA ILE A 149 -0.053 -4.386 -4.188 1.00 0.00 C ATOM 350 C ILE A 149 -1.533 -4.278 -3.831 1.00 0.00 C ATOM 351 O ILE A 149 -2.243 -3.410 -4.338 1.00 0.00 O ATOM 352 CB ILE A 149 0.791 -3.717 -3.082 1.00 0.00 C ATOM 353 CG1 ILE A 149 2.180 -3.354 -3.620 1.00 0.00 C ATOM 354 CG2 ILE A 149 0.906 -4.637 -1.872 1.00 0.00 C ATOM 355 CD1 ILE A 149 3.106 -2.776 -2.572 1.00 0.00 C ATOM 0 H ILE A 149 0.010 -2.796 -5.557 1.00 0.00 H new ATOM 0 HA ILE A 149 0.225 -5.438 -4.251 1.00 0.00 H new ATOM 0 HB ILE A 149 0.293 -2.800 -2.768 1.00 0.00 H new ATOM 0 HG12 ILE A 149 2.639 -4.246 -4.046 1.00 0.00 H new ATOM 0 HG13 ILE A 149 2.069 -2.634 -4.431 1.00 0.00 H new ATOM 0 HG21 ILE A 149 1.504 -4.151 -1.101 1.00 0.00 H new ATOM 0 HG22 ILE A 149 -0.089 -4.849 -1.480 1.00 0.00 H new ATOM 0 HG23 ILE A 149 1.385 -5.570 -2.169 1.00 0.00 H new ATOM 0 HD11 ILE A 149 4.069 -2.544 -3.026 1.00 0.00 H new ATOM 0 HD12 ILE A 149 2.669 -1.865 -2.162 1.00 0.00 H new ATOM 0 HD13 ILE A 149 3.248 -3.502 -1.772 1.00 0.00 H new ATOM 367 N LYS A 150 -1.993 -5.175 -2.964 1.00 0.00 N ATOM 368 CA LYS A 150 -3.391 -5.193 -2.543 1.00 0.00 C ATOM 369 C LYS A 150 -3.815 -3.853 -1.950 1.00 0.00 C ATOM 370 O LYS A 150 -2.993 -3.108 -1.416 1.00 0.00 O ATOM 371 CB LYS A 150 -3.621 -6.308 -1.522 1.00 0.00 C ATOM 372 CG LYS A 150 -3.862 -7.671 -2.152 1.00 0.00 C ATOM 373 CD LYS A 150 -2.559 -8.425 -2.366 1.00 0.00 C ATOM 374 CE LYS A 150 -2.684 -9.884 -1.956 1.00 0.00 C ATOM 375 NZ LYS A 150 -1.464 -10.664 -2.298 1.00 0.00 N ATOM 0 H LYS A 150 -1.417 -5.901 -2.538 1.00 0.00 H new ATOM 0 HA LYS A 150 -4.000 -5.379 -3.427 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -2.755 -6.370 -0.863 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -4.477 -6.048 -0.900 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -4.522 -8.257 -1.512 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -4.372 -7.546 -3.107 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -2.271 -8.365 -3.416 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -1.765 -7.951 -1.790 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -2.865 -9.945 -0.883 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -3.548 -10.327 -2.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -1.590 -11.653 -2.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -1.305 -10.627 -3.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -0.643 -10.257 -1.806 1.00 0.00 H new ATOM 389 N GLY A 151 -5.107 -3.558 -2.046 1.00 0.00 N ATOM 390 CA GLY A 151 -5.635 -2.314 -1.515 1.00 0.00 C ATOM 391 C GLY A 151 -7.008 -2.494 -0.895 1.00 0.00 C ATOM 392 O GLY A 151 -8.012 -2.054 -1.454 1.00 0.00 O ATOM 0 H GLY A 151 -5.802 -4.162 -2.485 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -4.948 -1.920 -0.766 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -5.693 -1.575 -2.314 1.00 0.00 H new ATOM 396 N THR A 152 -7.050 -3.146 0.265 1.00 0.00 N ATOM 397 CA THR A 152 -8.308 -3.390 0.962 1.00 0.00 C ATOM 398 C THR A 152 -8.719 -2.176 1.791 1.00 0.00 C ATOM 399 O THR A 152 -8.909 -2.273 3.004 1.00 0.00 O ATOM 400 CB THR A 152 -8.185 -4.621 1.862 1.00 0.00 C ATOM 401 OG1 THR A 152 -7.354 -4.347 2.976 1.00 0.00 O ATOM 402 CG2 THR A 152 -7.612 -5.827 1.148 1.00 0.00 C ATOM 0 H THR A 152 -6.227 -3.514 0.741 1.00 0.00 H new ATOM 0 HA THR A 152 -9.079 -3.571 0.213 1.00 0.00 H new ATOM 0 HB THR A 152 -9.203 -4.853 2.177 1.00 0.00 H new ATOM 0 HG1 THR A 152 -7.734 -3.607 3.493 1.00 0.00 H new ATOM 0 HG21 THR A 152 -7.551 -6.666 1.842 1.00 0.00 H new ATOM 0 HG22 THR A 152 -8.257 -6.095 0.311 1.00 0.00 H new ATOM 0 HG23 THR A 152 -6.615 -5.590 0.777 1.00 0.00 H new ATOM 410 N GLY A 153 -8.855 -1.036 1.126 1.00 0.00 N ATOM 411 CA GLY A 153 -9.243 0.182 1.810 1.00 0.00 C ATOM 412 C GLY A 153 -10.721 0.485 1.662 1.00 0.00 C ATOM 413 O GLY A 153 -11.499 -0.378 1.259 1.00 0.00 O ATOM 0 H GLY A 153 -8.703 -0.933 0.123 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -8.998 0.095 2.868 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -8.663 1.017 1.416 1.00 0.00 H new ATOM 417 N VAL A 154 -11.105 1.716 1.984 1.00 0.00 N ATOM 418 CA VAL A 154 -12.498 2.131 1.878 1.00 0.00 C ATOM 419 C VAL A 154 -12.917 2.236 0.416 1.00 0.00 C ATOM 420 O VAL A 154 -13.180 3.327 -0.092 1.00 0.00 O ATOM 421 CB VAL A 154 -12.737 3.486 2.573 1.00 0.00 C ATOM 422 CG1 VAL A 154 -14.225 3.792 2.650 1.00 0.00 C ATOM 423 CG2 VAL A 154 -12.112 3.492 3.961 1.00 0.00 C ATOM 0 H VAL A 154 -10.472 2.442 2.320 1.00 0.00 H new ATOM 0 HA VAL A 154 -13.100 1.372 2.377 1.00 0.00 H new ATOM 0 HB VAL A 154 -12.259 4.266 1.981 1.00 0.00 H new ATOM 0 HG11 VAL A 154 -14.374 4.752 3.144 1.00 0.00 H new ATOM 0 HG12 VAL A 154 -14.641 3.833 1.643 1.00 0.00 H new ATOM 0 HG13 VAL A 154 -14.728 3.010 3.218 1.00 0.00 H new ATOM 0 HG21 VAL A 154 -12.291 4.456 4.436 1.00 0.00 H new ATOM 0 HG22 VAL A 154 -12.558 2.702 4.564 1.00 0.00 H new ATOM 0 HG23 VAL A 154 -11.039 3.322 3.877 1.00 0.00 H new ATOM 433 N GLY A 155 -12.967 1.092 -0.259 1.00 0.00 N ATOM 434 CA GLY A 155 -13.342 1.069 -1.659 1.00 0.00 C ATOM 435 C GLY A 155 -12.238 0.518 -2.543 1.00 0.00 C ATOM 436 O GLY A 155 -12.497 0.052 -3.652 1.00 0.00 O ATOM 0 H GLY A 155 -12.754 0.178 0.141 1.00 0.00 H new ATOM 0 HA2 GLY A 155 -14.240 0.463 -1.782 1.00 0.00 H new ATOM 0 HA3 GLY A 155 -13.593 2.079 -1.982 1.00 0.00 H new ATOM 440 N GLY A 156 -11.004 0.571 -2.049 1.00 0.00 N ATOM 441 CA GLY A 156 -9.877 0.069 -2.813 1.00 0.00 C ATOM 442 C GLY A 156 -8.630 0.916 -2.637 1.00 0.00 C ATOM 443 O GLY A 156 -8.044 1.379 -3.616 1.00 0.00 O ATOM 0 H GLY A 156 -10.765 0.953 -1.134 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -9.663 -0.955 -2.507 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -10.144 0.037 -3.869 1.00 0.00 H new ATOM 447 N ARG A 157 -8.224 1.121 -1.387 1.00 0.00 N ATOM 448 CA ARG A 157 -7.041 1.920 -1.091 1.00 0.00 C ATOM 449 C ARG A 157 -5.948 1.066 -0.446 1.00 0.00 C ATOM 450 O ARG A 157 -6.236 0.135 0.306 1.00 0.00 O ATOM 451 CB ARG A 157 -7.419 3.113 -0.192 1.00 0.00 C ATOM 452 CG ARG A 157 -7.175 2.905 1.302 1.00 0.00 C ATOM 453 CD ARG A 157 -6.034 3.774 1.808 1.00 0.00 C ATOM 454 NE ARG A 157 -6.005 3.842 3.267 1.00 0.00 N ATOM 455 CZ ARG A 157 -6.929 4.461 4.000 1.00 0.00 C ATOM 456 NH1 ARG A 157 -7.954 5.067 3.413 1.00 0.00 N ATOM 457 NH2 ARG A 157 -6.827 4.474 5.321 1.00 0.00 N ATOM 0 H ARG A 157 -8.696 0.745 -0.565 1.00 0.00 H new ATOM 0 HA ARG A 157 -6.641 2.308 -2.028 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -6.854 3.986 -0.518 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -8.474 3.341 -0.343 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -8.084 3.138 1.856 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -6.946 1.856 1.492 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -5.086 3.376 1.444 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -6.135 4.780 1.400 1.00 0.00 H new ATOM 0 HE ARG A 157 -5.231 3.389 3.753 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -8.037 5.060 2.396 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -8.659 5.540 3.979 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -6.041 4.010 5.776 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -7.534 4.948 5.882 1.00 0.00 H new ATOM 471 N LEU A 158 -4.696 1.392 -0.746 1.00 0.00 N ATOM 472 CA LEU A 158 -3.560 0.661 -0.195 1.00 0.00 C ATOM 473 C LEU A 158 -3.479 0.858 1.317 1.00 0.00 C ATOM 474 O LEU A 158 -3.371 1.987 1.796 1.00 0.00 O ATOM 475 CB LEU A 158 -2.261 1.137 -0.852 1.00 0.00 C ATOM 476 CG LEU A 158 -1.137 0.099 -0.916 1.00 0.00 C ATOM 477 CD1 LEU A 158 -0.928 -0.551 0.442 1.00 0.00 C ATOM 478 CD2 LEU A 158 -1.442 -0.953 -1.971 1.00 0.00 C ATOM 0 H LEU A 158 -4.441 2.159 -1.369 1.00 0.00 H new ATOM 0 HA LEU A 158 -3.698 -0.400 -0.402 1.00 0.00 H new ATOM 0 HB2 LEU A 158 -2.486 1.466 -1.866 1.00 0.00 H new ATOM 0 HB3 LEU A 158 -1.897 2.008 -0.308 1.00 0.00 H new ATOM 0 HG LEU A 158 -0.215 0.610 -1.195 1.00 0.00 H new ATOM 0 HD11 LEU A 158 -0.125 -1.285 0.374 1.00 0.00 H new ATOM 0 HD12 LEU A 158 -0.661 0.212 1.173 1.00 0.00 H new ATOM 0 HD13 LEU A 158 -1.847 -1.047 0.754 1.00 0.00 H new ATOM 0 HD21 LEU A 158 -0.632 -1.682 -2.002 1.00 0.00 H new ATOM 0 HD22 LEU A 158 -2.376 -1.458 -1.722 1.00 0.00 H new ATOM 0 HD23 LEU A 158 -1.537 -0.474 -2.946 1.00 0.00 H new ATOM 490 N THR A 159 -3.537 -0.239 2.067 1.00 0.00 N ATOM 491 CA THR A 159 -3.474 -0.166 3.525 1.00 0.00 C ATOM 492 C THR A 159 -2.185 -0.786 4.057 1.00 0.00 C ATOM 493 O THR A 159 -1.536 -1.583 3.376 1.00 0.00 O ATOM 494 CB THR A 159 -4.682 -0.871 4.146 1.00 0.00 C ATOM 495 OG1 THR A 159 -5.124 -1.934 3.322 1.00 0.00 O ATOM 496 CG2 THR A 159 -5.859 0.050 4.376 1.00 0.00 C ATOM 0 H THR A 159 -3.627 -1.184 1.693 1.00 0.00 H new ATOM 0 HA THR A 159 -3.488 0.887 3.805 1.00 0.00 H new ATOM 0 HB THR A 159 -4.334 -1.239 5.111 1.00 0.00 H new ATOM 0 HG1 THR A 159 -4.365 -2.293 2.816 1.00 0.00 H new ATOM 0 HG21 THR A 159 -6.681 -0.513 4.818 1.00 0.00 H new ATOM 0 HG22 THR A 159 -5.566 0.854 5.051 1.00 0.00 H new ATOM 0 HG23 THR A 159 -6.180 0.474 3.425 1.00 0.00 H new ATOM 504 N ARG A 160 -1.824 -0.423 5.287 1.00 0.00 N ATOM 505 CA ARG A 160 -0.619 -0.952 5.913 1.00 0.00 C ATOM 506 C ARG A 160 -0.658 -2.473 5.925 1.00 0.00 C ATOM 507 O ARG A 160 0.368 -3.136 5.774 1.00 0.00 O ATOM 508 CB ARG A 160 -0.481 -0.419 7.342 1.00 0.00 C ATOM 509 CG ARG A 160 -0.068 1.042 7.409 1.00 0.00 C ATOM 510 CD ARG A 160 1.375 1.234 6.972 1.00 0.00 C ATOM 511 NE ARG A 160 1.938 2.485 7.473 1.00 0.00 N ATOM 512 CZ ARG A 160 2.336 2.667 8.730 1.00 0.00 C ATOM 513 NH1 ARG A 160 2.232 1.683 9.616 1.00 0.00 N ATOM 514 NH2 ARG A 160 2.838 3.836 9.103 1.00 0.00 N ATOM 0 H ARG A 160 -2.348 0.233 5.866 1.00 0.00 H new ATOM 0 HA ARG A 160 0.245 -0.625 5.334 1.00 0.00 H new ATOM 0 HB2 ARG A 160 -1.432 -0.543 7.861 1.00 0.00 H new ATOM 0 HB3 ARG A 160 0.255 -1.021 7.876 1.00 0.00 H new ATOM 0 HG2 ARG A 160 -0.724 1.636 6.773 1.00 0.00 H new ATOM 0 HG3 ARG A 160 -0.193 1.410 8.427 1.00 0.00 H new ATOM 0 HD2 ARG A 160 1.976 0.398 7.329 1.00 0.00 H new ATOM 0 HD3 ARG A 160 1.428 1.223 5.883 1.00 0.00 H new ATOM 0 HE ARG A 160 2.032 3.264 6.822 1.00 0.00 H new ATOM 0 HH11 ARG A 160 1.846 0.782 9.335 1.00 0.00 H new ATOM 0 HH12 ARG A 160 2.539 1.828 10.578 1.00 0.00 H new ATOM 0 HH21 ARG A 160 2.919 4.595 8.427 1.00 0.00 H new ATOM 0 HH22 ARG A 160 3.143 3.976 10.066 1.00 0.00 H new ATOM 528 N GLU A 161 -1.858 -3.020 6.085 1.00 0.00 N ATOM 529 CA GLU A 161 -2.043 -4.462 6.095 1.00 0.00 C ATOM 530 C GLU A 161 -1.685 -5.039 4.732 1.00 0.00 C ATOM 531 O GLU A 161 -1.113 -6.124 4.633 1.00 0.00 O ATOM 532 CB GLU A 161 -3.489 -4.814 6.452 1.00 0.00 C ATOM 533 CG GLU A 161 -3.883 -4.411 7.863 1.00 0.00 C ATOM 534 CD GLU A 161 -3.539 -5.473 8.889 1.00 0.00 C ATOM 535 OE1 GLU A 161 -4.219 -6.521 8.910 1.00 0.00 O ATOM 536 OE2 GLU A 161 -2.590 -5.258 9.673 1.00 0.00 O ATOM 0 H GLU A 161 -2.717 -2.484 6.210 1.00 0.00 H new ATOM 0 HA GLU A 161 -1.386 -4.894 6.850 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -4.158 -4.326 5.744 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -3.632 -5.888 6.337 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -3.379 -3.481 8.125 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -4.954 -4.213 7.895 1.00 0.00 H new ATOM 543 N ASP A 162 -2.020 -4.295 3.681 1.00 0.00 N ATOM 544 CA ASP A 162 -1.731 -4.719 2.319 1.00 0.00 C ATOM 545 C ASP A 162 -0.227 -4.797 2.093 1.00 0.00 C ATOM 546 O ASP A 162 0.293 -5.823 1.653 1.00 0.00 O ATOM 547 CB ASP A 162 -2.359 -3.752 1.316 1.00 0.00 C ATOM 548 CG ASP A 162 -3.855 -3.949 1.181 1.00 0.00 C ATOM 549 OD1 ASP A 162 -4.296 -5.115 1.104 1.00 0.00 O ATOM 550 OD2 ASP A 162 -4.587 -2.938 1.154 1.00 0.00 O ATOM 0 H ASP A 162 -2.493 -3.394 3.750 1.00 0.00 H new ATOM 0 HA ASP A 162 -2.160 -5.710 2.170 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -2.157 -2.727 1.628 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -1.888 -3.887 0.342 1.00 0.00 H new ATOM 555 N VAL A 163 0.472 -3.708 2.406 1.00 0.00 N ATOM 556 CA VAL A 163 1.920 -3.665 2.243 1.00 0.00 C ATOM 557 C VAL A 163 2.583 -4.764 3.067 1.00 0.00 C ATOM 558 O VAL A 163 3.602 -5.327 2.667 1.00 0.00 O ATOM 559 CB VAL A 163 2.501 -2.297 2.657 1.00 0.00 C ATOM 560 CG1 VAL A 163 4.017 -2.286 2.512 1.00 0.00 C ATOM 561 CG2 VAL A 163 1.877 -1.181 1.832 1.00 0.00 C ATOM 0 H VAL A 163 0.061 -2.849 2.772 1.00 0.00 H new ATOM 0 HA VAL A 163 2.129 -3.822 1.185 1.00 0.00 H new ATOM 0 HB VAL A 163 2.259 -2.128 3.706 1.00 0.00 H new ATOM 0 HG11 VAL A 163 4.404 -1.311 2.810 1.00 0.00 H new ATOM 0 HG12 VAL A 163 4.449 -3.058 3.149 1.00 0.00 H new ATOM 0 HG13 VAL A 163 4.285 -2.481 1.473 1.00 0.00 H new ATOM 0 HG21 VAL A 163 2.299 -0.223 2.138 1.00 0.00 H new ATOM 0 HG22 VAL A 163 2.086 -1.349 0.776 1.00 0.00 H new ATOM 0 HG23 VAL A 163 0.799 -1.170 1.991 1.00 0.00 H new ATOM 571 N GLU A 164 1.989 -5.072 4.216 1.00 0.00 N ATOM 572 CA GLU A 164 2.515 -6.110 5.092 1.00 0.00 C ATOM 573 C GLU A 164 2.397 -7.476 4.427 1.00 0.00 C ATOM 574 O GLU A 164 3.344 -8.263 4.429 1.00 0.00 O ATOM 575 CB GLU A 164 1.770 -6.110 6.428 1.00 0.00 C ATOM 576 CG GLU A 164 2.281 -5.066 7.408 1.00 0.00 C ATOM 577 CD GLU A 164 1.755 -5.281 8.814 1.00 0.00 C ATOM 578 OE1 GLU A 164 0.704 -5.938 8.961 1.00 0.00 O ATOM 579 OE2 GLU A 164 2.395 -4.790 9.769 1.00 0.00 O ATOM 0 H GLU A 164 1.144 -4.617 4.561 1.00 0.00 H new ATOM 0 HA GLU A 164 3.568 -5.901 5.279 1.00 0.00 H new ATOM 0 HB2 GLU A 164 0.710 -5.936 6.244 1.00 0.00 H new ATOM 0 HB3 GLU A 164 1.856 -7.097 6.883 1.00 0.00 H new ATOM 0 HG2 GLU A 164 3.371 -5.090 7.424 1.00 0.00 H new ATOM 0 HG3 GLU A 164 1.989 -4.074 7.062 1.00 0.00 H new ATOM 586 N LYS A 165 1.230 -7.748 3.851 1.00 0.00 N ATOM 587 CA LYS A 165 0.991 -9.016 3.172 1.00 0.00 C ATOM 588 C LYS A 165 1.950 -9.180 1.999 1.00 0.00 C ATOM 589 O LYS A 165 2.534 -10.246 1.803 1.00 0.00 O ATOM 590 CB LYS A 165 -0.456 -9.094 2.681 1.00 0.00 C ATOM 591 CG LYS A 165 -1.479 -9.159 3.803 1.00 0.00 C ATOM 592 CD LYS A 165 -2.761 -8.434 3.430 1.00 0.00 C ATOM 593 CE LYS A 165 -3.990 -9.187 3.917 1.00 0.00 C ATOM 594 NZ LYS A 165 -4.104 -9.162 5.402 1.00 0.00 N ATOM 0 H LYS A 165 0.436 -7.108 3.841 1.00 0.00 H new ATOM 0 HA LYS A 165 1.164 -9.824 3.882 1.00 0.00 H new ATOM 0 HB2 LYS A 165 -0.667 -8.224 2.059 1.00 0.00 H new ATOM 0 HB3 LYS A 165 -0.568 -9.974 2.047 1.00 0.00 H new ATOM 0 HG2 LYS A 165 -1.703 -10.201 4.033 1.00 0.00 H new ATOM 0 HG3 LYS A 165 -1.059 -8.716 4.706 1.00 0.00 H new ATOM 0 HD2 LYS A 165 -2.752 -7.433 3.861 1.00 0.00 H new ATOM 0 HD3 LYS A 165 -2.811 -8.315 2.348 1.00 0.00 H new ATOM 0 HE2 LYS A 165 -4.884 -8.746 3.477 1.00 0.00 H new ATOM 0 HE3 LYS A 165 -3.942 -10.220 3.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 -4.954 -9.686 5.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 -3.263 -9.606 5.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 -4.175 -8.177 5.728 1.00 0.00 H new ATOM 608 N TRP A 166 2.115 -8.110 1.228 1.00 0.00 N ATOM 609 CA TRP A 166 3.011 -8.126 0.079 1.00 0.00 C ATOM 610 C TRP A 166 4.458 -8.271 0.538 1.00 0.00 C ATOM 611 O TRP A 166 5.225 -9.055 -0.022 1.00 0.00 O ATOM 612 CB TRP A 166 2.841 -6.842 -0.738 1.00 0.00 C ATOM 613 CG TRP A 166 3.837 -6.699 -1.851 1.00 0.00 C ATOM 614 CD1 TRP A 166 3.652 -7.008 -3.167 1.00 0.00 C ATOM 615 CD2 TRP A 166 5.178 -6.211 -1.738 1.00 0.00 C ATOM 616 NE1 TRP A 166 4.798 -6.744 -3.879 1.00 0.00 N ATOM 617 CE2 TRP A 166 5.748 -6.255 -3.024 1.00 0.00 C ATOM 618 CE3 TRP A 166 5.948 -5.742 -0.674 1.00 0.00 C ATOM 619 CZ2 TRP A 166 7.056 -5.849 -3.271 1.00 0.00 C ATOM 620 CZ3 TRP A 166 7.247 -5.337 -0.921 1.00 0.00 C ATOM 621 CH2 TRP A 166 7.789 -5.393 -2.210 1.00 0.00 C ATOM 0 H TRP A 166 1.639 -7.221 1.379 1.00 0.00 H new ATOM 0 HA TRP A 166 2.759 -8.980 -0.550 1.00 0.00 H new ATOM 0 HB2 TRP A 166 1.835 -6.819 -1.157 1.00 0.00 H new ATOM 0 HB3 TRP A 166 2.928 -5.984 -0.072 1.00 0.00 H new ATOM 0 HD1 TRP A 166 2.739 -7.402 -3.588 1.00 0.00 H new ATOM 0 HE1 TRP A 166 4.920 -6.889 -4.881 1.00 0.00 H new ATOM 0 HE3 TRP A 166 5.538 -5.696 0.324 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 7.477 -5.892 -4.265 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 7.853 -4.971 -0.105 1.00 0.00 H new ATOM 0 HH2 TRP A 166 8.807 -5.070 -2.370 1.00 0.00 H new ATOM 632 N LEU A 167 4.821 -7.507 1.563 1.00 0.00 N ATOM 633 CA LEU A 167 6.174 -7.545 2.108 1.00 0.00 C ATOM 634 C LEU A 167 6.536 -8.951 2.575 1.00 0.00 C ATOM 635 O LEU A 167 7.665 -9.405 2.393 1.00 0.00 O ATOM 636 CB LEU A 167 6.304 -6.561 3.272 1.00 0.00 C ATOM 637 CG LEU A 167 6.607 -5.117 2.870 1.00 0.00 C ATOM 638 CD1 LEU A 167 6.363 -4.175 4.039 1.00 0.00 C ATOM 639 CD2 LEU A 167 8.039 -4.993 2.373 1.00 0.00 C ATOM 0 H LEU A 167 4.196 -6.853 2.034 1.00 0.00 H new ATOM 0 HA LEU A 167 6.865 -7.257 1.316 1.00 0.00 H new ATOM 0 HB2 LEU A 167 5.377 -6.575 3.845 1.00 0.00 H new ATOM 0 HB3 LEU A 167 7.094 -6.910 3.936 1.00 0.00 H new ATOM 0 HG LEU A 167 5.936 -4.837 2.058 1.00 0.00 H new ATOM 0 HD11 LEU A 167 6.584 -3.152 3.734 1.00 0.00 H new ATOM 0 HD12 LEU A 167 5.321 -4.244 4.350 1.00 0.00 H new ATOM 0 HD13 LEU A 167 7.009 -4.453 4.871 1.00 0.00 H new ATOM 0 HD21 LEU A 167 8.238 -3.959 2.091 1.00 0.00 H new ATOM 0 HD22 LEU A 167 8.726 -5.292 3.165 1.00 0.00 H new ATOM 0 HD23 LEU A 167 8.181 -5.639 1.507 1.00 0.00 H new ATOM 651 N ALA A 168 5.568 -9.632 3.176 1.00 0.00 N ATOM 652 CA ALA A 168 5.780 -10.986 3.672 1.00 0.00 C ATOM 653 C ALA A 168 5.936 -11.974 2.522 1.00 0.00 C ATOM 654 O ALA A 168 6.676 -12.952 2.626 1.00 0.00 O ATOM 655 CB ALA A 168 4.631 -11.403 4.576 1.00 0.00 C ATOM 0 H ALA A 168 4.628 -9.268 3.332 1.00 0.00 H new ATOM 0 HA ALA A 168 6.704 -10.993 4.250 1.00 0.00 H new ATOM 0 HB1 ALA A 168 4.803 -12.416 4.939 1.00 0.00 H new ATOM 0 HB2 ALA A 168 4.568 -10.720 5.423 1.00 0.00 H new ATOM 0 HB3 ALA A 168 3.697 -11.372 4.015 1.00 0.00 H new ATOM 661 N LYS A 169 5.233 -11.713 1.426 1.00 0.00 N ATOM 662 CA LYS A 169 5.293 -12.580 0.255 1.00 0.00 C ATOM 663 C LYS A 169 5.271 -11.760 -1.032 1.00 0.00 C ATOM 664 O LYS A 169 4.225 -11.593 -1.656 1.00 0.00 O ATOM 665 CB LYS A 169 4.124 -13.567 0.266 1.00 0.00 C ATOM 666 CG LYS A 169 4.493 -14.954 -0.236 1.00 0.00 C ATOM 667 CD LYS A 169 3.524 -16.008 0.274 1.00 0.00 C ATOM 668 CE LYS A 169 3.868 -17.386 -0.264 1.00 0.00 C ATOM 669 NZ LYS A 169 3.396 -18.471 0.642 1.00 0.00 N ATOM 0 H LYS A 169 4.615 -10.908 1.324 1.00 0.00 H new ATOM 0 HA LYS A 169 6.230 -13.136 0.293 1.00 0.00 H new ATOM 0 HB2 LYS A 169 3.738 -13.648 1.282 1.00 0.00 H new ATOM 0 HB3 LYS A 169 3.318 -13.169 -0.350 1.00 0.00 H new ATOM 0 HG2 LYS A 169 4.496 -14.958 -1.326 1.00 0.00 H new ATOM 0 HG3 LYS A 169 5.504 -15.202 0.087 1.00 0.00 H new ATOM 0 HD2 LYS A 169 3.545 -16.026 1.364 1.00 0.00 H new ATOM 0 HD3 LYS A 169 2.509 -15.744 -0.021 1.00 0.00 H new ATOM 0 HE2 LYS A 169 3.418 -17.514 -1.248 1.00 0.00 H new ATOM 0 HE3 LYS A 169 4.947 -17.466 -0.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 3.650 -19.395 0.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 3.845 -18.365 1.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 2.363 -18.411 0.746 1.00 0.00 H new ATOM 683 N ALA A 170 6.436 -11.252 -1.422 1.00 0.00 N ATOM 684 CA ALA A 170 6.551 -10.450 -2.633 1.00 0.00 C ATOM 685 C ALA A 170 7.141 -11.267 -3.778 1.00 0.00 C ATOM 686 O ALA A 170 6.673 -11.102 -4.924 1.00 0.00 O ATOM 687 CB ALA A 170 7.401 -9.216 -2.370 1.00 0.00 C ATOM 688 OXT ALA A 170 8.067 -12.064 -3.518 1.00 0.00 O ATOM 0 H ALA A 170 7.313 -11.382 -0.917 1.00 0.00 H new ATOM 0 HA ALA A 170 5.550 -10.132 -2.926 1.00 0.00 H new ATOM 0 HB1 ALA A 170 7.478 -8.626 -3.283 1.00 0.00 H new ATOM 0 HB2 ALA A 170 6.937 -8.615 -1.588 1.00 0.00 H new ATOM 0 HB3 ALA A 170 8.397 -9.522 -2.050 1.00 0.00 H new