USER MOD reduce.3.24.130724 H: found=0, std=0, add=348, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 351 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 126 GLN : amide:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 127 ASN : amide:sc= 0.219 K(o=0.22,f=-0.43) USER MOD Single : A 128 ASN : amide:sc= -0.351 K(o=-0.35,f=-2.8!) USER MOD Single : A 132 SER OG : rot 180:sc= -0.894 USER MOD Single : A 142 HIS : no HE2:sc= -5.14! C(o=-5.1!,f=-7.6!) USER MOD Single : A 143 ASN : amide:sc= 0 X(o=0,f=0.27) 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 -50:sc= 0.639 USER MOD Single : A 159 THR OG1 : rot 180:sc= 0.106 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 1 N GLN A 126 -7.149 15.165 -8.067 1.00 0.00 N ATOM 2 CA GLN A 126 -8.412 14.874 -7.340 1.00 0.00 C ATOM 3 C GLN A 126 -9.239 13.821 -8.072 1.00 0.00 C ATOM 4 O GLN A 126 -9.710 14.051 -9.186 1.00 0.00 O ATOM 5 CB GLN A 126 -9.209 16.173 -7.211 1.00 0.00 C ATOM 6 CG GLN A 126 -9.936 16.311 -5.883 1.00 0.00 C ATOM 7 CD GLN A 126 -11.433 16.485 -6.050 1.00 0.00 C ATOM 8 OE1 GLN A 126 -12.080 15.728 -6.774 1.00 0.00 O ATOM 9 NE2 GLN A 126 -11.992 17.485 -5.380 1.00 0.00 N ATOM 0 HA GLN A 126 -8.174 14.478 -6.353 1.00 0.00 H new ATOM 0 HB2 GLN A 126 -8.532 17.019 -7.335 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -9.936 16.225 -8.021 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -9.743 15.428 -5.274 1.00 0.00 H new ATOM 0 HG3 GLN A 126 -9.533 17.166 -5.340 1.00 0.00 H new ATOM 0 HE21 GLN A 126 -11.418 18.088 -4.791 1.00 0.00 H new ATOM 0 HE22 GLN A 126 -12.996 17.650 -5.454 1.00 0.00 H new ATOM 20 N ASN A 127 -9.410 12.665 -7.439 1.00 0.00 N ATOM 21 CA ASN A 127 -10.179 11.576 -8.030 1.00 0.00 C ATOM 22 C ASN A 127 -10.417 10.463 -7.014 1.00 0.00 C ATOM 23 O ASN A 127 -10.102 9.300 -7.266 1.00 0.00 O ATOM 24 CB ASN A 127 -9.453 11.020 -9.257 1.00 0.00 C ATOM 25 CG ASN A 127 -8.009 10.661 -8.962 1.00 0.00 C ATOM 26 OD1 ASN A 127 -7.098 11.453 -9.200 1.00 0.00 O ATOM 27 ND2 ASN A 127 -7.794 9.458 -8.441 1.00 0.00 N ATOM 0 H ASN A 127 -9.026 12.458 -6.517 1.00 0.00 H new ATOM 0 HA ASN A 127 -11.147 11.972 -8.338 1.00 0.00 H new ATOM 0 HB2 ASN A 127 -9.978 10.135 -9.616 1.00 0.00 H new ATOM 0 HB3 ASN A 127 -9.485 11.757 -10.059 1.00 0.00 H new ATOM 0 HD21 ASN A 127 -6.844 9.159 -8.222 1.00 0.00 H new ATOM 0 HD22 ASN A 127 -8.579 8.833 -8.260 1.00 0.00 H new ATOM 34 N ASN A 128 -10.977 10.828 -5.863 1.00 0.00 N ATOM 35 CA ASN A 128 -11.263 9.864 -4.801 1.00 0.00 C ATOM 36 C ASN A 128 -9.989 9.464 -4.066 1.00 0.00 C ATOM 37 O ASN A 128 -9.877 9.642 -2.852 1.00 0.00 O ATOM 38 CB ASN A 128 -11.956 8.621 -5.370 1.00 0.00 C ATOM 39 CG ASN A 128 -13.204 8.251 -4.593 1.00 0.00 C ATOM 40 OD1 ASN A 128 -13.504 8.845 -3.557 1.00 0.00 O ATOM 41 ND2 ASN A 128 -13.939 7.263 -5.091 1.00 0.00 N ATOM 0 H ASN A 128 -11.243 11.787 -5.641 1.00 0.00 H new ATOM 0 HA ASN A 128 -11.934 10.344 -4.088 1.00 0.00 H new ATOM 0 HB2 ASN A 128 -12.220 8.800 -6.412 1.00 0.00 H new ATOM 0 HB3 ASN A 128 -11.260 7.782 -5.357 1.00 0.00 H new ATOM 0 HD21 ASN A 128 -14.790 6.969 -4.612 1.00 0.00 H new ATOM 0 HD22 ASN A 128 -13.652 6.799 -5.953 1.00 0.00 H new ATOM 48 N ASP A 129 -9.033 8.918 -4.809 1.00 0.00 N ATOM 49 CA ASP A 129 -7.760 8.483 -4.238 1.00 0.00 C ATOM 50 C ASP A 129 -7.926 7.170 -3.479 1.00 0.00 C ATOM 51 O ASP A 129 -8.883 6.995 -2.725 1.00 0.00 O ATOM 52 CB ASP A 129 -7.187 9.556 -3.307 1.00 0.00 C ATOM 53 CG ASP A 129 -5.673 9.525 -3.250 1.00 0.00 C ATOM 54 OD1 ASP A 129 -5.035 9.759 -4.299 1.00 0.00 O ATOM 55 OD2 ASP A 129 -5.124 9.266 -2.158 1.00 0.00 O ATOM 0 H ASP A 129 -9.115 8.765 -5.814 1.00 0.00 H new ATOM 0 HA ASP A 129 -7.063 8.325 -5.061 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -7.515 10.539 -3.645 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -7.588 9.414 -2.304 1.00 0.00 H new ATOM 60 N ALA A 130 -6.989 6.250 -3.687 1.00 0.00 N ATOM 61 CA ALA A 130 -7.033 4.952 -3.026 1.00 0.00 C ATOM 62 C ALA A 130 -5.928 4.825 -1.983 1.00 0.00 C ATOM 63 O ALA A 130 -6.118 4.208 -0.935 1.00 0.00 O ATOM 64 CB ALA A 130 -6.921 3.835 -4.052 1.00 0.00 C ATOM 0 H ALA A 130 -6.190 6.380 -4.308 1.00 0.00 H new ATOM 0 HA ALA A 130 -7.991 4.868 -2.513 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -6.955 2.871 -3.545 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -7.750 3.904 -4.757 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -5.978 3.929 -4.590 1.00 0.00 H new ATOM 70 N LEU A 131 -4.775 5.414 -2.278 1.00 0.00 N ATOM 71 CA LEU A 131 -3.637 5.365 -1.366 1.00 0.00 C ATOM 72 C LEU A 131 -3.689 6.518 -0.369 1.00 0.00 C ATOM 73 O LEU A 131 -4.633 7.308 -0.365 1.00 0.00 O ATOM 74 CB LEU A 131 -2.324 5.410 -2.151 1.00 0.00 C ATOM 75 CG LEU A 131 -1.693 4.046 -2.434 1.00 0.00 C ATOM 76 CD1 LEU A 131 -2.186 3.496 -3.764 1.00 0.00 C ATOM 77 CD2 LEU A 131 -0.176 4.150 -2.428 1.00 0.00 C ATOM 0 H LEU A 131 -4.603 5.931 -3.140 1.00 0.00 H new ATOM 0 HA LEU A 131 -3.687 4.428 -0.812 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -2.503 5.915 -3.100 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -1.608 6.017 -1.597 1.00 0.00 H new ATOM 0 HG LEU A 131 -1.993 3.357 -1.645 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -1.727 2.525 -3.949 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -3.270 3.385 -3.732 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -1.915 4.184 -4.565 1.00 0.00 H new ATOM 0 HD21 LEU A 131 0.257 3.170 -2.631 1.00 0.00 H new ATOM 0 HD22 LEU A 131 0.143 4.854 -3.196 1.00 0.00 H new ATOM 0 HD23 LEU A 131 0.161 4.500 -1.452 1.00 0.00 H new ATOM 89 N SER A 132 -2.668 6.605 0.478 1.00 0.00 N ATOM 90 CA SER A 132 -2.595 7.659 1.483 1.00 0.00 C ATOM 91 C SER A 132 -1.261 8.399 1.404 1.00 0.00 C ATOM 92 O SER A 132 -0.300 7.902 0.815 1.00 0.00 O ATOM 93 CB SER A 132 -2.788 7.070 2.882 1.00 0.00 C ATOM 94 OG SER A 132 -3.923 7.632 3.521 1.00 0.00 O ATOM 0 H SER A 132 -1.880 5.958 0.488 1.00 0.00 H new ATOM 0 HA SER A 132 -3.394 8.373 1.284 1.00 0.00 H new ATOM 0 HB2 SER A 132 -2.905 5.989 2.812 1.00 0.00 H new ATOM 0 HB3 SER A 132 -1.899 7.256 3.484 1.00 0.00 H new ATOM 0 HG SER A 132 -4.025 7.238 4.412 1.00 0.00 H new ATOM 100 N PRO A 133 -1.182 9.600 2.003 1.00 0.00 N ATOM 101 CA PRO A 133 0.044 10.407 1.999 1.00 0.00 C ATOM 102 C PRO A 133 1.198 9.704 2.703 1.00 0.00 C ATOM 103 O PRO A 133 2.283 9.557 2.142 1.00 0.00 O ATOM 104 CB PRO A 133 -0.353 11.679 2.759 1.00 0.00 C ATOM 105 CG PRO A 133 -1.559 11.300 3.549 1.00 0.00 C ATOM 106 CD PRO A 133 -2.275 10.264 2.732 1.00 0.00 C ATOM 0 HA PRO A 133 0.399 10.599 0.986 1.00 0.00 H new ATOM 0 HB2 PRO A 133 0.454 12.017 3.409 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -0.573 12.496 2.072 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -1.278 10.903 4.525 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -2.197 12.166 3.728 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -2.824 9.563 3.361 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -2.997 10.715 2.052 1.00 0.00 H new ATOM 114 N ALA A 134 0.955 9.269 3.935 1.00 0.00 N ATOM 115 CA ALA A 134 1.973 8.578 4.716 1.00 0.00 C ATOM 116 C ALA A 134 2.423 7.300 4.016 1.00 0.00 C ATOM 117 O ALA A 134 3.620 7.008 3.936 1.00 0.00 O ATOM 118 CB ALA A 134 1.446 8.264 6.108 1.00 0.00 C ATOM 0 H ALA A 134 0.062 9.383 4.414 1.00 0.00 H new ATOM 0 HA ALA A 134 2.838 9.235 4.808 1.00 0.00 H new ATOM 0 HB1 ALA A 134 2.216 7.748 6.681 1.00 0.00 H new ATOM 0 HB2 ALA A 134 1.178 9.192 6.614 1.00 0.00 H new ATOM 0 HB3 ALA A 134 0.565 7.627 6.028 1.00 0.00 H new ATOM 124 N ILE A 135 1.460 6.538 3.506 1.00 0.00 N ATOM 125 CA ILE A 135 1.774 5.297 2.813 1.00 0.00 C ATOM 126 C ILE A 135 2.722 5.549 1.654 1.00 0.00 C ATOM 127 O ILE A 135 3.695 4.828 1.481 1.00 0.00 O ATOM 128 CB ILE A 135 0.517 4.590 2.276 1.00 0.00 C ATOM 129 CG1 ILE A 135 -0.471 4.319 3.411 1.00 0.00 C ATOM 130 CG2 ILE A 135 0.907 3.292 1.575 1.00 0.00 C ATOM 131 CD1 ILE A 135 -1.772 3.702 2.946 1.00 0.00 C ATOM 0 H ILE A 135 0.465 6.757 3.559 1.00 0.00 H new ATOM 0 HA ILE A 135 2.247 4.649 3.551 1.00 0.00 H new ATOM 0 HB ILE A 135 0.028 5.242 1.552 1.00 0.00 H new ATOM 0 HG12 ILE A 135 -0.003 3.655 4.138 1.00 0.00 H new ATOM 0 HG13 ILE A 135 -0.686 5.255 3.926 1.00 0.00 H new ATOM 0 HG21 ILE A 135 0.011 2.799 1.198 1.00 0.00 H new ATOM 0 HG22 ILE A 135 1.576 3.514 0.743 1.00 0.00 H new ATOM 0 HG23 ILE A 135 1.413 2.635 2.282 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -2.424 3.538 3.804 1.00 0.00 H new ATOM 0 HD12 ILE A 135 -2.262 4.374 2.241 1.00 0.00 H new ATOM 0 HD13 ILE A 135 -1.569 2.749 2.457 1.00 0.00 H new ATOM 143 N ARG A 136 2.439 6.577 0.860 1.00 0.00 N ATOM 144 CA ARG A 136 3.291 6.900 -0.279 1.00 0.00 C ATOM 145 C ARG A 136 4.746 6.961 0.158 1.00 0.00 C ATOM 146 O ARG A 136 5.648 6.563 -0.579 1.00 0.00 O ATOM 147 CB ARG A 136 2.869 8.228 -0.910 1.00 0.00 C ATOM 148 CG ARG A 136 1.834 8.075 -2.012 1.00 0.00 C ATOM 149 CD ARG A 136 1.348 9.427 -2.509 1.00 0.00 C ATOM 150 NE ARG A 136 0.212 9.920 -1.733 1.00 0.00 N ATOM 151 CZ ARG A 136 -1.025 9.446 -1.849 1.00 0.00 C ATOM 152 NH1 ARG A 136 -1.290 8.460 -2.698 1.00 0.00 N ATOM 153 NH2 ARG A 136 -2.003 9.957 -1.112 1.00 0.00 N ATOM 0 H ARG A 136 1.636 7.194 0.982 1.00 0.00 H new ATOM 0 HA ARG A 136 3.180 6.116 -1.028 1.00 0.00 H new ATOM 0 HB2 ARG A 136 2.467 8.879 -0.133 1.00 0.00 H new ATOM 0 HB3 ARG A 136 3.750 8.724 -1.317 1.00 0.00 H new ATOM 0 HG2 ARG A 136 2.264 7.514 -2.842 1.00 0.00 H new ATOM 0 HG3 ARG A 136 0.988 7.497 -1.641 1.00 0.00 H new ATOM 0 HD2 ARG A 136 2.164 10.148 -2.455 1.00 0.00 H new ATOM 0 HD3 ARG A 136 1.063 9.346 -3.558 1.00 0.00 H new ATOM 0 HE ARG A 136 0.378 10.671 -1.063 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -0.542 8.061 -3.266 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -2.241 8.101 -2.782 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -1.806 10.713 -0.457 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -2.952 9.594 -1.201 1.00 0.00 H new ATOM 167 N ARG A 137 4.961 7.428 1.381 1.00 0.00 N ATOM 168 CA ARG A 137 6.299 7.502 1.937 1.00 0.00 C ATOM 169 C ARG A 137 6.783 6.096 2.252 1.00 0.00 C ATOM 170 O ARG A 137 7.937 5.748 2.000 1.00 0.00 O ATOM 171 CB ARG A 137 6.305 8.356 3.204 1.00 0.00 C ATOM 172 CG ARG A 137 5.651 9.715 3.024 1.00 0.00 C ATOM 173 CD ARG A 137 6.557 10.675 2.271 1.00 0.00 C ATOM 174 NE ARG A 137 5.829 11.841 1.774 1.00 0.00 N ATOM 175 CZ ARG A 137 6.292 12.656 0.831 1.00 0.00 C ATOM 176 NH1 ARG A 137 7.479 12.437 0.277 1.00 0.00 N ATOM 177 NH2 ARG A 137 5.567 13.695 0.439 1.00 0.00 N ATOM 0 H ARG A 137 4.225 7.760 2.004 1.00 0.00 H new ATOM 0 HA ARG A 137 6.966 7.966 1.211 1.00 0.00 H new ATOM 0 HB2 ARG A 137 5.789 7.816 3.998 1.00 0.00 H new ATOM 0 HB3 ARG A 137 7.335 8.498 3.532 1.00 0.00 H new ATOM 0 HG2 ARG A 137 4.712 9.599 2.482 1.00 0.00 H new ATOM 0 HG3 ARG A 137 5.406 10.134 4.000 1.00 0.00 H new ATOM 0 HD2 ARG A 137 7.362 11.004 2.928 1.00 0.00 H new ATOM 0 HD3 ARG A 137 7.021 10.154 1.434 1.00 0.00 H new ATOM 0 HE ARG A 137 4.912 12.041 2.174 1.00 0.00 H new ATOM 0 HH11 ARG A 137 8.041 11.640 0.574 1.00 0.00 H new ATOM 0 HH12 ARG A 137 7.828 13.066 -0.446 1.00 0.00 H new ATOM 0 HH21 ARG A 137 4.655 13.869 0.861 1.00 0.00 H new ATOM 0 HH22 ARG A 137 5.922 14.321 -0.284 1.00 0.00 H new ATOM 191 N LEU A 138 5.877 5.287 2.794 1.00 0.00 N ATOM 192 CA LEU A 138 6.193 3.907 3.136 1.00 0.00 C ATOM 193 C LEU A 138 6.559 3.107 1.887 1.00 0.00 C ATOM 194 O LEU A 138 7.618 2.484 1.829 1.00 0.00 O ATOM 195 CB LEU A 138 5.007 3.245 3.843 1.00 0.00 C ATOM 196 CG LEU A 138 5.241 1.793 4.262 1.00 0.00 C ATOM 197 CD1 LEU A 138 6.323 1.714 5.327 1.00 0.00 C ATOM 198 CD2 LEU A 138 3.950 1.166 4.766 1.00 0.00 C ATOM 0 H LEU A 138 4.919 5.565 3.005 1.00 0.00 H new ATOM 0 HA LEU A 138 7.050 3.917 3.809 1.00 0.00 H new ATOM 0 HB2 LEU A 138 4.758 3.829 4.729 1.00 0.00 H new ATOM 0 HB3 LEU A 138 4.141 3.283 3.183 1.00 0.00 H new ATOM 0 HG LEU A 138 5.575 1.234 3.388 1.00 0.00 H new ATOM 0 HD11 LEU A 138 6.476 0.674 5.613 1.00 0.00 H new ATOM 0 HD12 LEU A 138 7.253 2.122 4.932 1.00 0.00 H new ATOM 0 HD13 LEU A 138 6.016 2.289 6.201 1.00 0.00 H new ATOM 0 HD21 LEU A 138 4.137 0.133 5.059 1.00 0.00 H new ATOM 0 HD22 LEU A 138 3.585 1.727 5.626 1.00 0.00 H new ATOM 0 HD23 LEU A 138 3.201 1.188 3.974 1.00 0.00 H new ATOM 210 N LEU A 139 5.686 3.142 0.882 1.00 0.00 N ATOM 211 CA LEU A 139 5.934 2.429 -0.364 1.00 0.00 C ATOM 212 C LEU A 139 7.217 2.935 -0.999 1.00 0.00 C ATOM 213 O LEU A 139 7.994 2.167 -1.566 1.00 0.00 O ATOM 214 CB LEU A 139 4.761 2.612 -1.330 1.00 0.00 C ATOM 215 CG LEU A 139 3.580 1.668 -1.105 1.00 0.00 C ATOM 216 CD1 LEU A 139 2.292 2.299 -1.609 1.00 0.00 C ATOM 217 CD2 LEU A 139 3.825 0.333 -1.789 1.00 0.00 C ATOM 0 H LEU A 139 4.805 3.655 0.908 1.00 0.00 H new ATOM 0 HA LEU A 139 6.037 1.366 -0.145 1.00 0.00 H new ATOM 0 HB2 LEU A 139 4.404 3.639 -1.253 1.00 0.00 H new ATOM 0 HB3 LEU A 139 5.125 2.476 -2.348 1.00 0.00 H new ATOM 0 HG LEU A 139 3.480 1.490 -0.034 1.00 0.00 H new ATOM 0 HD11 LEU A 139 1.461 1.614 -1.441 1.00 0.00 H new ATOM 0 HD12 LEU A 139 2.109 3.230 -1.072 1.00 0.00 H new ATOM 0 HD13 LEU A 139 2.381 2.506 -2.675 1.00 0.00 H new ATOM 0 HD21 LEU A 139 2.973 -0.325 -1.617 1.00 0.00 H new ATOM 0 HD22 LEU A 139 3.952 0.491 -2.860 1.00 0.00 H new ATOM 0 HD23 LEU A 139 4.726 -0.125 -1.381 1.00 0.00 H new ATOM 229 N ALA A 140 7.437 4.238 -0.880 1.00 0.00 N ATOM 230 CA ALA A 140 8.636 4.860 -1.423 1.00 0.00 C ATOM 231 C ALA A 140 9.876 4.305 -0.734 1.00 0.00 C ATOM 232 O ALA A 140 10.928 4.144 -1.355 1.00 0.00 O ATOM 233 CB ALA A 140 8.568 6.371 -1.266 1.00 0.00 C ATOM 0 H ALA A 140 6.801 4.884 -0.412 1.00 0.00 H new ATOM 0 HA ALA A 140 8.698 4.629 -2.486 1.00 0.00 H new ATOM 0 HB1 ALA A 140 9.472 6.821 -1.677 1.00 0.00 H new ATOM 0 HB2 ALA A 140 7.698 6.753 -1.799 1.00 0.00 H new ATOM 0 HB3 ALA A 140 8.485 6.624 -0.209 1.00 0.00 H new ATOM 239 N GLU A 141 9.741 4.010 0.556 1.00 0.00 N ATOM 240 CA GLU A 141 10.839 3.468 1.340 1.00 0.00 C ATOM 241 C GLU A 141 11.089 2.008 0.983 1.00 0.00 C ATOM 242 O GLU A 141 12.223 1.602 0.729 1.00 0.00 O ATOM 243 CB GLU A 141 10.535 3.590 2.836 1.00 0.00 C ATOM 244 CG GLU A 141 10.570 5.020 3.350 1.00 0.00 C ATOM 245 CD GLU A 141 9.881 5.176 4.691 1.00 0.00 C ATOM 246 OE1 GLU A 141 10.289 4.490 5.652 1.00 0.00 O ATOM 247 OE2 GLU A 141 8.934 5.985 4.783 1.00 0.00 O ATOM 0 H GLU A 141 8.876 4.139 1.080 1.00 0.00 H new ATOM 0 HA GLU A 141 11.736 4.043 1.109 1.00 0.00 H new ATOM 0 HB2 GLU A 141 9.551 3.166 3.034 1.00 0.00 H new ATOM 0 HB3 GLU A 141 11.257 2.994 3.395 1.00 0.00 H new ATOM 0 HG2 GLU A 141 11.607 5.345 3.439 1.00 0.00 H new ATOM 0 HG3 GLU A 141 10.092 5.675 2.622 1.00 0.00 H new ATOM 254 N HIS A 142 10.015 1.227 0.962 1.00 0.00 N ATOM 255 CA HIS A 142 10.103 -0.191 0.634 1.00 0.00 C ATOM 256 C HIS A 142 10.461 -0.397 -0.838 1.00 0.00 C ATOM 257 O HIS A 142 10.803 -1.504 -1.251 1.00 0.00 O ATOM 258 CB HIS A 142 8.778 -0.890 0.947 1.00 0.00 C ATOM 259 CG HIS A 142 8.508 -1.042 2.413 1.00 0.00 C ATOM 260 ND1 HIS A 142 8.882 -2.155 3.138 1.00 0.00 N ATOM 261 CD2 HIS A 142 7.890 -0.216 3.291 1.00 0.00 C ATOM 262 CE1 HIS A 142 8.502 -2.007 4.394 1.00 0.00 C ATOM 263 NE2 HIS A 142 7.900 -0.840 4.513 1.00 0.00 N ATOM 0 H HIS A 142 9.071 1.553 1.169 1.00 0.00 H new ATOM 0 HA HIS A 142 10.894 -0.627 1.244 1.00 0.00 H new ATOM 0 HB2 HIS A 142 7.964 -0.325 0.493 1.00 0.00 H new ATOM 0 HB3 HIS A 142 8.779 -1.876 0.483 1.00 0.00 H new ATOM 0 HD1 HIS A 142 9.375 -2.965 2.762 1.00 0.00 H new ATOM 0 HD2 HIS A 142 7.468 0.753 3.070 1.00 0.00 H new ATOM 0 HE1 HIS A 142 8.658 -2.721 5.189 1.00 0.00 H new ATOM 272 N ASN A 143 10.376 0.675 -1.625 1.00 0.00 N ATOM 273 CA ASN A 143 10.689 0.605 -3.049 1.00 0.00 C ATOM 274 C ASN A 143 9.728 -0.339 -3.766 1.00 0.00 C ATOM 275 O ASN A 143 10.143 -1.176 -4.567 1.00 0.00 O ATOM 276 CB ASN A 143 12.133 0.145 -3.257 1.00 0.00 C ATOM 277 CG ASN A 143 13.137 1.239 -2.950 1.00 0.00 C ATOM 278 OD1 ASN A 143 13.484 1.472 -1.792 1.00 0.00 O ATOM 279 ND2 ASN A 143 13.609 1.918 -3.990 1.00 0.00 N ATOM 0 H ASN A 143 10.094 1.600 -1.300 1.00 0.00 H new ATOM 0 HA ASN A 143 10.575 1.603 -3.472 1.00 0.00 H new ATOM 0 HB2 ASN A 143 12.332 -0.717 -2.620 1.00 0.00 H new ATOM 0 HB3 ASN A 143 12.262 -0.184 -4.288 1.00 0.00 H new ATOM 0 HD21 ASN A 143 14.287 2.666 -3.845 1.00 0.00 H new ATOM 0 HD22 ASN A 143 13.293 1.691 -4.933 1.00 0.00 H new ATOM 286 N LEU A 144 8.440 -0.194 -3.471 1.00 0.00 N ATOM 287 CA LEU A 144 7.415 -1.030 -4.084 1.00 0.00 C ATOM 288 C LEU A 144 6.549 -0.217 -5.038 1.00 0.00 C ATOM 289 O LEU A 144 6.743 0.986 -5.199 1.00 0.00 O ATOM 290 CB LEU A 144 6.538 -1.678 -3.011 1.00 0.00 C ATOM 291 CG LEU A 144 7.285 -2.139 -1.761 1.00 0.00 C ATOM 292 CD1 LEU A 144 6.303 -2.537 -0.669 1.00 0.00 C ATOM 293 CD2 LEU A 144 8.214 -3.298 -2.094 1.00 0.00 C ATOM 0 H LEU A 144 8.081 0.496 -2.810 1.00 0.00 H new ATOM 0 HA LEU A 144 7.917 -1.813 -4.652 1.00 0.00 H new ATOM 0 HB2 LEU A 144 5.767 -0.967 -2.714 1.00 0.00 H new ATOM 0 HB3 LEU A 144 6.028 -2.536 -3.449 1.00 0.00 H new ATOM 0 HG LEU A 144 7.888 -1.309 -1.393 1.00 0.00 H new ATOM 0 HD11 LEU A 144 6.853 -2.863 0.214 1.00 0.00 H new ATOM 0 HD12 LEU A 144 5.678 -1.682 -0.412 1.00 0.00 H new ATOM 0 HD13 LEU A 144 5.673 -3.352 -1.025 1.00 0.00 H new ATOM 0 HD21 LEU A 144 8.739 -3.614 -1.192 1.00 0.00 H new ATOM 0 HD22 LEU A 144 7.630 -4.131 -2.486 1.00 0.00 H new ATOM 0 HD23 LEU A 144 8.939 -2.979 -2.843 1.00 0.00 H new ATOM 305 N ASP A 145 5.591 -0.889 -5.666 1.00 0.00 N ATOM 306 CA ASP A 145 4.688 -0.235 -6.606 1.00 0.00 C ATOM 307 C ASP A 145 3.234 -0.450 -6.199 1.00 0.00 C ATOM 308 O ASP A 145 2.772 -1.586 -6.088 1.00 0.00 O ATOM 309 CB ASP A 145 4.918 -0.768 -8.021 1.00 0.00 C ATOM 310 CG ASP A 145 4.796 0.316 -9.074 1.00 0.00 C ATOM 311 OD1 ASP A 145 3.745 0.989 -9.113 1.00 0.00 O ATOM 312 OD2 ASP A 145 5.751 0.492 -9.859 1.00 0.00 O ATOM 0 H ASP A 145 5.419 -1.887 -5.541 1.00 0.00 H new ATOM 0 HA ASP A 145 4.898 0.835 -6.590 1.00 0.00 H new ATOM 0 HB2 ASP A 145 5.909 -1.218 -8.080 1.00 0.00 H new ATOM 0 HB3 ASP A 145 4.196 -1.557 -8.231 1.00 0.00 H new ATOM 317 N ALA A 146 2.517 0.648 -5.980 1.00 0.00 N ATOM 318 CA ALA A 146 1.115 0.579 -5.586 1.00 0.00 C ATOM 319 C ALA A 146 0.298 -0.219 -6.598 1.00 0.00 C ATOM 320 O ALA A 146 -0.533 -1.046 -6.225 1.00 0.00 O ATOM 321 CB ALA A 146 0.541 1.980 -5.431 1.00 0.00 C ATOM 0 H ALA A 146 2.884 1.596 -6.069 1.00 0.00 H new ATOM 0 HA ALA A 146 1.058 0.066 -4.626 1.00 0.00 H new ATOM 0 HB1 ALA A 146 -0.506 1.914 -5.137 1.00 0.00 H new ATOM 0 HB2 ALA A 146 1.099 2.519 -4.666 1.00 0.00 H new ATOM 0 HB3 ALA A 146 0.618 2.512 -6.379 1.00 0.00 H new ATOM 327 N SER A 147 0.546 0.034 -7.879 1.00 0.00 N ATOM 328 CA SER A 147 -0.164 -0.663 -8.946 1.00 0.00 C ATOM 329 C SER A 147 0.093 -2.167 -8.888 1.00 0.00 C ATOM 330 O SER A 147 -0.668 -2.957 -9.448 1.00 0.00 O ATOM 331 CB SER A 147 0.261 -0.113 -10.310 1.00 0.00 C ATOM 332 OG SER A 147 -0.866 0.150 -11.127 1.00 0.00 O ATOM 0 H SER A 147 1.232 0.715 -8.203 1.00 0.00 H new ATOM 0 HA SER A 147 -1.232 -0.494 -8.807 1.00 0.00 H new ATOM 0 HB2 SER A 147 0.837 0.802 -10.173 1.00 0.00 H new ATOM 0 HB3 SER A 147 0.915 -0.830 -10.807 1.00 0.00 H new ATOM 0 HG SER A 147 -0.568 0.502 -11.992 1.00 0.00 H new ATOM 338 N ALA A 148 1.168 -2.560 -8.208 1.00 0.00 N ATOM 339 CA ALA A 148 1.517 -3.970 -8.079 1.00 0.00 C ATOM 340 C ALA A 148 0.809 -4.606 -6.886 1.00 0.00 C ATOM 341 O ALA A 148 0.631 -5.823 -6.836 1.00 0.00 O ATOM 342 CB ALA A 148 3.024 -4.128 -7.948 1.00 0.00 C ATOM 0 H ALA A 148 1.811 -1.922 -7.739 1.00 0.00 H new ATOM 0 HA ALA A 148 1.185 -4.486 -8.980 1.00 0.00 H new ATOM 0 HB1 ALA A 148 3.272 -5.185 -7.852 1.00 0.00 H new ATOM 0 HB2 ALA A 148 3.511 -3.720 -8.834 1.00 0.00 H new ATOM 0 HB3 ALA A 148 3.370 -3.593 -7.064 1.00 0.00 H new ATOM 348 N ILE A 149 0.411 -3.777 -5.927 1.00 0.00 N ATOM 349 CA ILE A 149 -0.274 -4.260 -4.735 1.00 0.00 C ATOM 350 C ILE A 149 -1.776 -4.018 -4.828 1.00 0.00 C ATOM 351 O ILE A 149 -2.233 -3.190 -5.616 1.00 0.00 O ATOM 352 CB ILE A 149 0.264 -3.580 -3.461 1.00 0.00 C ATOM 353 CG1 ILE A 149 1.787 -3.445 -3.530 1.00 0.00 C ATOM 354 CG2 ILE A 149 -0.147 -4.367 -2.225 1.00 0.00 C ATOM 355 CD1 ILE A 149 2.382 -2.699 -2.355 1.00 0.00 C ATOM 0 H ILE A 149 0.551 -2.767 -5.953 1.00 0.00 H new ATOM 0 HA ILE A 149 -0.083 -5.331 -4.675 1.00 0.00 H new ATOM 0 HB ILE A 149 -0.167 -2.581 -3.393 1.00 0.00 H new ATOM 0 HG12 ILE A 149 2.230 -4.440 -3.580 1.00 0.00 H new ATOM 0 HG13 ILE A 149 2.056 -2.929 -4.452 1.00 0.00 H new ATOM 0 HG21 ILE A 149 0.241 -3.874 -1.334 1.00 0.00 H new ATOM 0 HG22 ILE A 149 -1.235 -4.415 -2.169 1.00 0.00 H new ATOM 0 HG23 ILE A 149 0.258 -5.377 -2.286 1.00 0.00 H new ATOM 0 HD11 ILE A 149 3.464 -2.642 -2.471 1.00 0.00 H new ATOM 0 HD12 ILE A 149 1.967 -1.692 -2.316 1.00 0.00 H new ATOM 0 HD13 ILE A 149 2.143 -3.226 -1.431 1.00 0.00 H new ATOM 367 N LYS A 150 -2.539 -4.745 -4.019 1.00 0.00 N ATOM 368 CA LYS A 150 -3.991 -4.608 -4.011 1.00 0.00 C ATOM 369 C LYS A 150 -4.465 -3.932 -2.729 1.00 0.00 C ATOM 370 O LYS A 150 -4.082 -4.328 -1.629 1.00 0.00 O ATOM 371 CB LYS A 150 -4.656 -5.978 -4.155 1.00 0.00 C ATOM 372 CG LYS A 150 -4.178 -6.762 -5.367 1.00 0.00 C ATOM 373 CD LYS A 150 -3.677 -8.144 -4.979 1.00 0.00 C ATOM 374 CE LYS A 150 -3.262 -8.949 -6.198 1.00 0.00 C ATOM 375 NZ LYS A 150 -4.429 -9.587 -6.867 1.00 0.00 N ATOM 0 H LYS A 150 -2.177 -5.435 -3.361 1.00 0.00 H new ATOM 0 HA LYS A 150 -4.277 -3.984 -4.858 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -4.463 -6.563 -3.255 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -5.736 -5.843 -4.222 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -4.994 -6.858 -6.083 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -3.380 -6.212 -5.865 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -2.830 -8.047 -4.300 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -4.459 -8.677 -4.439 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -2.750 -8.297 -6.906 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -2.550 -9.718 -5.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -4.103 -10.127 -7.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -4.904 -10.229 -6.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -5.097 -8.852 -7.175 1.00 0.00 H new ATOM 389 N GLY A 151 -5.301 -2.910 -2.881 1.00 0.00 N ATOM 390 CA GLY A 151 -5.814 -2.196 -1.728 1.00 0.00 C ATOM 391 C GLY A 151 -7.235 -2.598 -1.383 1.00 0.00 C ATOM 392 O GLY A 151 -8.162 -2.352 -2.154 1.00 0.00 O ATOM 0 H GLY A 151 -5.632 -2.564 -3.782 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -5.168 -2.384 -0.871 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -5.780 -1.124 -1.923 1.00 0.00 H new ATOM 396 N THR A 152 -7.405 -3.223 -0.221 1.00 0.00 N ATOM 397 CA THR A 152 -8.723 -3.664 0.224 1.00 0.00 C ATOM 398 C THR A 152 -9.117 -2.979 1.530 1.00 0.00 C ATOM 399 O THR A 152 -9.499 -3.636 2.500 1.00 0.00 O ATOM 400 CB THR A 152 -8.738 -5.184 0.405 1.00 0.00 C ATOM 401 OG1 THR A 152 -10.025 -5.628 0.798 1.00 0.00 O ATOM 402 CG2 THR A 152 -7.746 -5.673 1.437 1.00 0.00 C ATOM 0 H THR A 152 -6.648 -3.435 0.428 1.00 0.00 H new ATOM 0 HA THR A 152 -9.449 -3.387 -0.540 1.00 0.00 H new ATOM 0 HB THR A 152 -8.458 -5.595 -0.565 1.00 0.00 H new ATOM 0 HG1 THR A 152 -10.338 -5.093 1.557 1.00 0.00 H new ATOM 0 HG21 THR A 152 -7.808 -6.758 1.516 1.00 0.00 H new ATOM 0 HG22 THR A 152 -6.738 -5.388 1.136 1.00 0.00 H new ATOM 0 HG23 THR A 152 -7.976 -5.225 2.404 1.00 0.00 H new ATOM 410 N GLY A 153 -9.025 -1.653 1.547 1.00 0.00 N ATOM 411 CA GLY A 153 -9.378 -0.900 2.737 1.00 0.00 C ATOM 412 C GLY A 153 -10.862 -0.954 3.038 1.00 0.00 C ATOM 413 O GLY A 153 -11.272 -1.427 4.097 1.00 0.00 O ATOM 0 H GLY A 153 -8.712 -1.087 0.758 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -8.823 -1.292 3.589 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -9.074 0.139 2.609 1.00 0.00 H new ATOM 417 N VAL A 154 -11.666 -0.465 2.101 1.00 0.00 N ATOM 418 CA VAL A 154 -13.114 -0.453 2.262 1.00 0.00 C ATOM 419 C VAL A 154 -13.808 -0.506 0.906 1.00 0.00 C ATOM 420 O VAL A 154 -14.859 0.105 0.709 1.00 0.00 O ATOM 421 CB VAL A 154 -13.588 0.801 3.022 1.00 0.00 C ATOM 422 CG1 VAL A 154 -15.058 0.678 3.395 1.00 0.00 C ATOM 423 CG2 VAL A 154 -12.734 1.031 4.261 1.00 0.00 C ATOM 0 H VAL A 154 -11.338 -0.071 1.219 1.00 0.00 H new ATOM 0 HA VAL A 154 -13.379 -1.336 2.843 1.00 0.00 H new ATOM 0 HB VAL A 154 -13.475 1.664 2.365 1.00 0.00 H new ATOM 0 HG11 VAL A 154 -15.374 1.573 3.931 1.00 0.00 H new ATOM 0 HG12 VAL A 154 -15.655 0.568 2.490 1.00 0.00 H new ATOM 0 HG13 VAL A 154 -15.200 -0.195 4.032 1.00 0.00 H new ATOM 0 HG21 VAL A 154 -13.084 1.921 4.784 1.00 0.00 H new ATOM 0 HG22 VAL A 154 -12.811 0.168 4.922 1.00 0.00 H new ATOM 0 HG23 VAL A 154 -11.694 1.170 3.965 1.00 0.00 H new ATOM 433 N GLY A 155 -13.212 -1.240 -0.026 1.00 0.00 N ATOM 434 CA GLY A 155 -13.781 -1.363 -1.354 1.00 0.00 C ATOM 435 C GLY A 155 -12.860 -0.836 -2.441 1.00 0.00 C ATOM 436 O GLY A 155 -13.282 -0.657 -3.583 1.00 0.00 O ATOM 0 H GLY A 155 -12.342 -1.754 0.115 1.00 0.00 H new ATOM 0 HA2 GLY A 155 -14.006 -2.411 -1.552 1.00 0.00 H new ATOM 0 HA3 GLY A 155 -14.726 -0.821 -1.391 1.00 0.00 H new ATOM 440 N GLY A 156 -11.600 -0.590 -2.090 1.00 0.00 N ATOM 441 CA GLY A 156 -10.648 -0.089 -3.066 1.00 0.00 C ATOM 442 C GLY A 156 -9.671 0.911 -2.478 1.00 0.00 C ATOM 443 O GLY A 156 -9.394 1.944 -3.086 1.00 0.00 O ATOM 0 H GLY A 156 -11.223 -0.728 -1.152 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -10.093 -0.927 -3.488 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -11.190 0.380 -3.887 1.00 0.00 H new ATOM 447 N ARG A 157 -9.143 0.605 -1.297 1.00 0.00 N ATOM 448 CA ARG A 157 -8.185 1.489 -0.637 1.00 0.00 C ATOM 449 C ARG A 157 -6.975 0.703 -0.143 1.00 0.00 C ATOM 450 O ARG A 157 -7.101 -0.441 0.293 1.00 0.00 O ATOM 451 CB ARG A 157 -8.835 2.227 0.540 1.00 0.00 C ATOM 452 CG ARG A 157 -10.331 2.458 0.384 1.00 0.00 C ATOM 453 CD ARG A 157 -10.718 3.881 0.750 1.00 0.00 C ATOM 454 NE ARG A 157 -10.731 4.092 2.196 1.00 0.00 N ATOM 455 CZ ARG A 157 -11.348 5.109 2.793 1.00 0.00 C ATOM 456 NH1 ARG A 157 -12.005 6.011 2.072 1.00 0.00 N ATOM 457 NH2 ARG A 157 -11.311 5.226 4.113 1.00 0.00 N ATOM 0 H ARG A 157 -9.361 -0.245 -0.778 1.00 0.00 H new ATOM 0 HA ARG A 157 -7.856 2.224 -1.372 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -8.660 1.657 1.452 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -8.342 3.191 0.667 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -10.626 2.253 -0.645 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -10.876 1.758 1.017 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -10.017 4.577 0.289 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -11.704 4.104 0.342 1.00 0.00 H new ATOM 0 HE ARG A 157 -10.238 3.419 2.783 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -12.038 5.926 1.056 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -12.476 6.789 2.534 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -10.809 4.536 4.672 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -11.784 6.006 4.569 1.00 0.00 H new ATOM 471 N LEU A 158 -5.803 1.325 -0.213 1.00 0.00 N ATOM 472 CA LEU A 158 -4.569 0.685 0.229 1.00 0.00 C ATOM 473 C LEU A 158 -4.144 1.223 1.593 1.00 0.00 C ATOM 474 O LEU A 158 -4.220 2.426 1.844 1.00 0.00 O ATOM 475 CB LEU A 158 -3.459 0.919 -0.799 1.00 0.00 C ATOM 476 CG LEU A 158 -2.322 -0.106 -0.789 1.00 0.00 C ATOM 477 CD1 LEU A 158 -2.868 -1.524 -0.838 1.00 0.00 C ATOM 478 CD2 LEU A 158 -1.384 0.137 -1.959 1.00 0.00 C ATOM 0 H LEU A 158 -5.681 2.272 -0.572 1.00 0.00 H new ATOM 0 HA LEU A 158 -4.748 -0.386 0.321 1.00 0.00 H new ATOM 0 HB2 LEU A 158 -3.906 0.930 -1.793 1.00 0.00 H new ATOM 0 HB3 LEU A 158 -3.034 1.908 -0.629 1.00 0.00 H new ATOM 0 HG LEU A 158 -1.765 0.013 0.141 1.00 0.00 H new ATOM 0 HD11 LEU A 158 -2.040 -2.233 -0.830 1.00 0.00 H new ATOM 0 HD12 LEU A 158 -3.504 -1.699 0.030 1.00 0.00 H new ATOM 0 HD13 LEU A 158 -3.452 -1.658 -1.749 1.00 0.00 H new ATOM 0 HD21 LEU A 158 -0.580 -0.599 -1.940 1.00 0.00 H new ATOM 0 HD22 LEU A 158 -1.937 0.046 -2.894 1.00 0.00 H new ATOM 0 HD23 LEU A 158 -0.961 1.139 -1.884 1.00 0.00 H new ATOM 490 N THR A 159 -3.704 0.327 2.474 1.00 0.00 N ATOM 491 CA THR A 159 -3.277 0.728 3.814 1.00 0.00 C ATOM 492 C THR A 159 -1.990 0.017 4.223 1.00 0.00 C ATOM 493 O THR A 159 -1.513 -0.883 3.529 1.00 0.00 O ATOM 494 CB THR A 159 -4.377 0.434 4.845 1.00 0.00 C ATOM 495 OG1 THR A 159 -4.149 -0.809 5.489 1.00 0.00 O ATOM 496 CG2 THR A 159 -5.769 0.385 4.253 1.00 0.00 C ATOM 0 H THR A 159 -3.634 -0.673 2.287 1.00 0.00 H new ATOM 0 HA THR A 159 -3.087 1.801 3.788 1.00 0.00 H new ATOM 0 HB THR A 159 -4.327 1.264 5.549 1.00 0.00 H new ATOM 0 HG1 THR A 159 -4.861 -0.975 6.142 1.00 0.00 H new ATOM 0 HG21 THR A 159 -6.492 0.173 5.041 1.00 0.00 H new ATOM 0 HG22 THR A 159 -6.003 1.346 3.794 1.00 0.00 H new ATOM 0 HG23 THR A 159 -5.816 -0.399 3.497 1.00 0.00 H new ATOM 504 N ARG A 160 -1.443 0.420 5.367 1.00 0.00 N ATOM 505 CA ARG A 160 -0.222 -0.182 5.885 1.00 0.00 C ATOM 506 C ARG A 160 -0.395 -1.688 6.023 1.00 0.00 C ATOM 507 O ARG A 160 0.558 -2.452 5.872 1.00 0.00 O ATOM 508 CB ARG A 160 0.139 0.426 7.241 1.00 0.00 C ATOM 509 CG ARG A 160 0.725 1.825 7.145 1.00 0.00 C ATOM 510 CD ARG A 160 1.888 2.011 8.108 1.00 0.00 C ATOM 511 NE ARG A 160 1.711 3.183 8.965 1.00 0.00 N ATOM 512 CZ ARG A 160 2.188 4.394 8.679 1.00 0.00 C ATOM 513 NH1 ARG A 160 2.861 4.608 7.554 1.00 0.00 N ATOM 514 NH2 ARG A 160 1.986 5.398 9.522 1.00 0.00 N ATOM 0 H ARG A 160 -1.828 1.162 5.952 1.00 0.00 H new ATOM 0 HA ARG A 160 0.587 0.020 5.183 1.00 0.00 H new ATOM 0 HB2 ARG A 160 -0.754 0.458 7.865 1.00 0.00 H new ATOM 0 HB3 ARG A 160 0.855 -0.225 7.742 1.00 0.00 H new ATOM 0 HG2 ARG A 160 1.063 2.010 6.125 1.00 0.00 H new ATOM 0 HG3 ARG A 160 -0.050 2.560 7.362 1.00 0.00 H new ATOM 0 HD2 ARG A 160 1.990 1.121 8.729 1.00 0.00 H new ATOM 0 HD3 ARG A 160 2.814 2.113 7.542 1.00 0.00 H new ATOM 0 HE ARG A 160 1.191 3.066 9.835 1.00 0.00 H new ATOM 0 HH11 ARG A 160 3.017 3.842 6.899 1.00 0.00 H new ATOM 0 HH12 ARG A 160 3.222 5.539 7.345 1.00 0.00 H new ATOM 0 HH21 ARG A 160 1.467 5.242 10.386 1.00 0.00 H new ATOM 0 HH22 ARG A 160 2.350 6.326 9.306 1.00 0.00 H new ATOM 528 N GLU A 161 -1.626 -2.106 6.300 1.00 0.00 N ATOM 529 CA GLU A 161 -1.933 -3.522 6.444 1.00 0.00 C ATOM 530 C GLU A 161 -1.744 -4.232 5.111 1.00 0.00 C ATOM 531 O GLU A 161 -1.257 -5.362 5.056 1.00 0.00 O ATOM 532 CB GLU A 161 -3.366 -3.711 6.943 1.00 0.00 C ATOM 533 CG GLU A 161 -3.535 -3.431 8.427 1.00 0.00 C ATOM 534 CD GLU A 161 -3.504 -4.693 9.266 1.00 0.00 C ATOM 535 OE1 GLU A 161 -4.010 -5.733 8.793 1.00 0.00 O ATOM 536 OE2 GLU A 161 -2.974 -4.642 10.396 1.00 0.00 O ATOM 0 H GLU A 161 -2.425 -1.485 6.429 1.00 0.00 H new ATOM 0 HA GLU A 161 -1.252 -3.954 7.177 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -4.028 -3.053 6.380 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -3.682 -4.734 6.736 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -2.743 -2.759 8.759 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -4.481 -2.914 8.590 1.00 0.00 H new ATOM 543 N ASP A 162 -2.124 -3.551 4.035 1.00 0.00 N ATOM 544 CA ASP A 162 -1.988 -4.103 2.695 1.00 0.00 C ATOM 545 C ASP A 162 -0.516 -4.255 2.333 1.00 0.00 C ATOM 546 O ASP A 162 -0.096 -5.292 1.816 1.00 0.00 O ATOM 547 CB ASP A 162 -2.690 -3.203 1.679 1.00 0.00 C ATOM 548 CG ASP A 162 -4.199 -3.221 1.834 1.00 0.00 C ATOM 549 OD1 ASP A 162 -4.726 -2.394 2.609 1.00 0.00 O ATOM 550 OD2 ASP A 162 -4.852 -4.062 1.183 1.00 0.00 O ATOM 0 H ASP A 162 -2.529 -2.615 4.067 1.00 0.00 H new ATOM 0 HA ASP A 162 -2.456 -5.087 2.675 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -2.328 -2.181 1.792 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -2.427 -3.524 0.671 1.00 0.00 H new ATOM 555 N VAL A 163 0.265 -3.219 2.619 1.00 0.00 N ATOM 556 CA VAL A 163 1.693 -3.244 2.333 1.00 0.00 C ATOM 557 C VAL A 163 2.375 -4.360 3.114 1.00 0.00 C ATOM 558 O VAL A 163 3.314 -4.991 2.626 1.00 0.00 O ATOM 559 CB VAL A 163 2.367 -1.903 2.683 1.00 0.00 C ATOM 560 CG1 VAL A 163 3.827 -1.908 2.255 1.00 0.00 C ATOM 561 CG2 VAL A 163 1.622 -0.745 2.038 1.00 0.00 C ATOM 0 H VAL A 163 -0.066 -2.355 3.047 1.00 0.00 H new ATOM 0 HA VAL A 163 1.802 -3.421 1.263 1.00 0.00 H new ATOM 0 HB VAL A 163 2.330 -1.773 3.765 1.00 0.00 H new ATOM 0 HG11 VAL A 163 4.284 -0.952 2.511 1.00 0.00 H new ATOM 0 HG12 VAL A 163 4.354 -2.712 2.769 1.00 0.00 H new ATOM 0 HG13 VAL A 163 3.890 -2.063 1.178 1.00 0.00 H new ATOM 0 HG21 VAL A 163 2.113 0.193 2.297 1.00 0.00 H new ATOM 0 HG22 VAL A 163 1.624 -0.869 0.955 1.00 0.00 H new ATOM 0 HG23 VAL A 163 0.594 -0.728 2.399 1.00 0.00 H new ATOM 571 N GLU A 164 1.893 -4.602 4.329 1.00 0.00 N ATOM 572 CA GLU A 164 2.453 -5.645 5.179 1.00 0.00 C ATOM 573 C GLU A 164 2.207 -7.022 4.570 1.00 0.00 C ATOM 574 O GLU A 164 3.123 -7.837 4.467 1.00 0.00 O ATOM 575 CB GLU A 164 1.839 -5.575 6.578 1.00 0.00 C ATOM 576 CG GLU A 164 2.529 -4.578 7.496 1.00 0.00 C ATOM 577 CD GLU A 164 2.780 -5.139 8.882 1.00 0.00 C ATOM 578 OE1 GLU A 164 2.072 -6.088 9.275 1.00 0.00 O ATOM 579 OE2 GLU A 164 3.686 -4.628 9.574 1.00 0.00 O ATOM 0 H GLU A 164 1.116 -4.090 4.746 1.00 0.00 H new ATOM 0 HA GLU A 164 3.528 -5.485 5.256 1.00 0.00 H new ATOM 0 HB2 GLU A 164 0.786 -5.307 6.491 1.00 0.00 H new ATOM 0 HB3 GLU A 164 1.880 -6.564 7.034 1.00 0.00 H new ATOM 0 HG2 GLU A 164 3.478 -4.278 7.052 1.00 0.00 H new ATOM 0 HG3 GLU A 164 1.917 -3.680 7.577 1.00 0.00 H new ATOM 586 N LYS A 165 0.966 -7.272 4.163 1.00 0.00 N ATOM 587 CA LYS A 165 0.605 -8.548 3.560 1.00 0.00 C ATOM 588 C LYS A 165 1.412 -8.794 2.289 1.00 0.00 C ATOM 589 O LYS A 165 1.809 -9.923 2.003 1.00 0.00 O ATOM 590 CB LYS A 165 -0.892 -8.586 3.242 1.00 0.00 C ATOM 591 CG LYS A 165 -1.784 -8.508 4.472 1.00 0.00 C ATOM 592 CD LYS A 165 -1.363 -9.511 5.535 1.00 0.00 C ATOM 593 CE LYS A 165 -2.545 -9.966 6.377 1.00 0.00 C ATOM 594 NZ LYS A 165 -2.395 -9.566 7.804 1.00 0.00 N ATOM 0 H LYS A 165 0.196 -6.608 4.240 1.00 0.00 H new ATOM 0 HA LYS A 165 0.835 -9.337 4.277 1.00 0.00 H new ATOM 0 HB2 LYS A 165 -1.134 -7.757 2.577 1.00 0.00 H new ATOM 0 HB3 LYS A 165 -1.116 -9.505 2.700 1.00 0.00 H new ATOM 0 HG2 LYS A 165 -1.746 -7.501 4.886 1.00 0.00 H new ATOM 0 HG3 LYS A 165 -2.819 -8.695 4.184 1.00 0.00 H new ATOM 0 HD2 LYS A 165 -0.902 -10.376 5.058 1.00 0.00 H new ATOM 0 HD3 LYS A 165 -0.608 -9.062 6.180 1.00 0.00 H new ATOM 0 HE2 LYS A 165 -3.464 -9.539 5.975 1.00 0.00 H new ATOM 0 HE3 LYS A 165 -2.642 -11.050 6.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 -3.220 -9.894 8.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 -1.532 -9.994 8.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 -2.328 -8.530 7.869 1.00 0.00 H new ATOM 608 N TRP A 166 1.654 -7.727 1.534 1.00 0.00 N ATOM 609 CA TRP A 166 2.416 -7.827 0.294 1.00 0.00 C ATOM 610 C TRP A 166 3.898 -8.044 0.585 1.00 0.00 C ATOM 611 O TRP A 166 4.551 -8.869 -0.052 1.00 0.00 O ATOM 612 CB TRP A 166 2.232 -6.562 -0.547 1.00 0.00 C ATOM 613 CG TRP A 166 2.839 -6.665 -1.913 1.00 0.00 C ATOM 614 CD1 TRP A 166 4.013 -6.108 -2.332 1.00 0.00 C ATOM 615 CD2 TRP A 166 2.301 -7.365 -3.040 1.00 0.00 C ATOM 616 NE1 TRP A 166 4.237 -6.421 -3.651 1.00 0.00 N ATOM 617 CE2 TRP A 166 3.201 -7.191 -4.108 1.00 0.00 C ATOM 618 CE3 TRP A 166 1.146 -8.124 -3.249 1.00 0.00 C ATOM 619 CZ2 TRP A 166 2.981 -7.749 -5.365 1.00 0.00 C ATOM 620 CZ3 TRP A 166 0.929 -8.677 -4.497 1.00 0.00 C ATOM 621 CH2 TRP A 166 1.844 -8.487 -5.541 1.00 0.00 C ATOM 0 H TRP A 166 1.334 -6.785 1.759 1.00 0.00 H new ATOM 0 HA TRP A 166 2.042 -8.684 -0.265 1.00 0.00 H new ATOM 0 HB2 TRP A 166 1.167 -6.351 -0.645 1.00 0.00 H new ATOM 0 HB3 TRP A 166 2.677 -5.717 -0.022 1.00 0.00 H new ATOM 0 HD1 TRP A 166 4.669 -5.510 -1.717 1.00 0.00 H new ATOM 0 HE1 TRP A 166 5.044 -6.127 -4.201 1.00 0.00 H new ATOM 0 HE3 TRP A 166 0.436 -8.276 -2.450 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 3.684 -7.604 -6.172 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 0.040 -9.265 -4.670 1.00 0.00 H new ATOM 0 HH2 TRP A 166 1.647 -8.933 -6.505 1.00 0.00 H new ATOM 632 N LEU A 167 4.420 -7.295 1.551 1.00 0.00 N ATOM 633 CA LEU A 167 5.824 -7.404 1.928 1.00 0.00 C ATOM 634 C LEU A 167 6.158 -8.818 2.391 1.00 0.00 C ATOM 635 O LEU A 167 7.240 -9.335 2.111 1.00 0.00 O ATOM 636 CB LEU A 167 6.155 -6.400 3.034 1.00 0.00 C ATOM 637 CG LEU A 167 6.363 -4.961 2.561 1.00 0.00 C ATOM 638 CD1 LEU A 167 6.010 -3.980 3.667 1.00 0.00 C ATOM 639 CD2 LEU A 167 7.798 -4.755 2.101 1.00 0.00 C ATOM 0 H LEU A 167 3.892 -6.606 2.087 1.00 0.00 H new ATOM 0 HA LEU A 167 6.428 -7.179 1.049 1.00 0.00 H new ATOM 0 HB2 LEU A 167 5.349 -6.412 3.768 1.00 0.00 H new ATOM 0 HB3 LEU A 167 7.058 -6.732 3.547 1.00 0.00 H new ATOM 0 HG LEU A 167 5.701 -4.776 1.715 1.00 0.00 H new ATOM 0 HD11 LEU A 167 6.164 -2.961 3.312 1.00 0.00 H new ATOM 0 HD12 LEU A 167 4.966 -4.112 3.950 1.00 0.00 H new ATOM 0 HD13 LEU A 167 6.647 -4.163 4.533 1.00 0.00 H new ATOM 0 HD21 LEU A 167 7.929 -3.726 1.768 1.00 0.00 H new ATOM 0 HD22 LEU A 167 8.478 -4.958 2.928 1.00 0.00 H new ATOM 0 HD23 LEU A 167 8.017 -5.434 1.277 1.00 0.00 H new ATOM 651 N ALA A 168 5.222 -9.436 3.100 1.00 0.00 N ATOM 652 CA ALA A 168 5.413 -10.790 3.603 1.00 0.00 C ATOM 653 C ALA A 168 5.176 -11.822 2.505 1.00 0.00 C ATOM 654 O ALA A 168 5.786 -12.891 2.501 1.00 0.00 O ATOM 655 CB ALA A 168 4.489 -11.050 4.783 1.00 0.00 C ATOM 0 H ALA A 168 4.322 -9.020 3.340 1.00 0.00 H new ATOM 0 HA ALA A 168 6.446 -10.885 3.937 1.00 0.00 H new ATOM 0 HB1 ALA A 168 4.643 -12.065 5.149 1.00 0.00 H new ATOM 0 HB2 ALA A 168 4.709 -10.340 5.580 1.00 0.00 H new ATOM 0 HB3 ALA A 168 3.453 -10.931 4.467 1.00 0.00 H new ATOM 661 N LYS A 169 4.287 -11.492 1.574 1.00 0.00 N ATOM 662 CA LYS A 169 3.969 -12.390 0.469 1.00 0.00 C ATOM 663 C LYS A 169 5.039 -12.319 -0.614 1.00 0.00 C ATOM 664 O LYS A 169 5.327 -13.312 -1.283 1.00 0.00 O ATOM 665 CB LYS A 169 2.602 -12.038 -0.123 1.00 0.00 C ATOM 666 CG LYS A 169 2.011 -13.141 -0.984 1.00 0.00 C ATOM 667 CD LYS A 169 0.833 -12.636 -1.803 1.00 0.00 C ATOM 668 CE LYS A 169 0.354 -13.685 -2.795 1.00 0.00 C ATOM 669 NZ LYS A 169 -0.828 -13.217 -3.570 1.00 0.00 N ATOM 0 H LYS A 169 3.774 -10.610 1.562 1.00 0.00 H new ATOM 0 HA LYS A 169 3.938 -13.408 0.857 1.00 0.00 H new ATOM 0 HB2 LYS A 169 1.911 -11.812 0.689 1.00 0.00 H new ATOM 0 HB3 LYS A 169 2.697 -11.132 -0.722 1.00 0.00 H new ATOM 0 HG2 LYS A 169 2.778 -13.534 -1.651 1.00 0.00 H new ATOM 0 HG3 LYS A 169 1.688 -13.966 -0.349 1.00 0.00 H new ATOM 0 HD2 LYS A 169 0.015 -12.364 -1.136 1.00 0.00 H new ATOM 0 HD3 LYS A 169 1.122 -11.732 -2.339 1.00 0.00 H new ATOM 0 HE2 LYS A 169 1.164 -13.932 -3.482 1.00 0.00 H new ATOM 0 HE3 LYS A 169 0.099 -14.600 -2.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 -1.124 -13.960 -4.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 -1.609 -13.005 -2.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 -0.578 -12.358 -4.100 1.00 0.00 H new ATOM 683 N ALA A 170 5.625 -11.138 -0.784 1.00 0.00 N ATOM 684 CA ALA A 170 6.664 -10.937 -1.786 1.00 0.00 C ATOM 685 C ALA A 170 8.022 -10.705 -1.131 1.00 0.00 C ATOM 686 O ALA A 170 8.947 -10.247 -1.835 1.00 0.00 O ATOM 687 CB ALA A 170 6.306 -9.768 -2.690 1.00 0.00 C ATOM 688 OXT ALA A 170 8.149 -10.982 0.080 1.00 0.00 O ATOM 0 H ALA A 170 5.397 -10.306 -0.240 1.00 0.00 H new ATOM 0 HA ALA A 170 6.731 -11.842 -2.390 1.00 0.00 H new ATOM 0 HB1 ALA A 170 7.091 -9.629 -3.434 1.00 0.00 H new ATOM 0 HB2 ALA A 170 5.361 -9.973 -3.194 1.00 0.00 H new ATOM 0 HB3 ALA A 170 6.209 -8.862 -2.092 1.00 0.00 H new TER 694 ALA A 170