USER MOD reduce.3.24.130724 H: found=0, std=0, add=304, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 245 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 133 ASN :FLIP amide:sc= -0.5! C(o=-6.5!,f=-0.5!) USER MOD Single : A 134 MET CE :methyl -166:sc= 0 (180deg=-0.194) USER MOD Single : A 139 ASN : amide:sc= -0.0093 K(o=-0.0093,f=-0.52) USER MOD Single : A 142 GLN :FLIP amide:sc= 0.984 F(o=-0.51,f=0.98) USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 148 THR OG1 : rot 180:sc= 0 USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 152 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 162 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 163 ASN : amide:sc= -0.0226 X(o=-0.023,f=0.06) USER MOD Single : A 167 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 168 SER OG : rot 70:sc= -0.608 USER MOD ----------------------------------------------------------------- ATOM 19 N VAL A 132 -20.171 -9.047 2.080 1.00 0.00 N ATOM 20 CA VAL A 132 -20.369 -7.680 1.627 1.00 0.00 C ATOM 21 C VAL A 132 -19.609 -6.725 2.549 1.00 0.00 C ATOM 22 O VAL A 132 -18.736 -5.985 2.099 1.00 0.00 O ATOM 23 CB VAL A 132 -21.865 -7.368 1.544 1.00 0.00 C ATOM 24 CG1 VAL A 132 -22.100 -5.884 1.255 1.00 0.00 C ATOM 25 CG2 VAL A 132 -22.552 -8.246 0.498 1.00 0.00 C ATOM 0 HA VAL A 132 -19.967 -7.549 0.622 1.00 0.00 H new ATOM 0 HB VAL A 132 -22.308 -7.595 2.514 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -23.171 -5.689 1.201 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -21.662 -5.284 2.053 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -21.635 -5.620 0.305 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -23.614 -8.003 0.460 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -22.104 -8.066 -0.479 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -22.429 -9.295 0.766 1.00 0.00 H new ATOM 35 N ASN A 133 -19.969 -6.774 3.824 1.00 0.00 N ATOM 36 CA ASN A 133 -19.331 -5.924 4.814 1.00 0.00 C ATOM 37 C ASN A 133 -17.842 -5.793 4.486 1.00 0.00 C ATOM 38 O ASN A 133 -17.282 -4.700 4.547 1.00 0.00 O ATOM 39 CB ASN A 133 -19.456 -6.522 6.216 1.00 0.00 C ATOM 40 CG ASN A 133 -18.513 -7.714 6.389 1.00 0.00 C ATOM 41 OD1 ASN A 133 -18.654 -8.655 5.460 1.00 0.00 O flip ATOM 42 ND2 ASN A 133 -17.710 -7.777 7.306 1.00 0.00 N flip ATOM 0 H ASN A 133 -20.694 -7.389 4.193 1.00 0.00 H new ATOM 0 HA ASN A 133 -19.824 -4.952 4.791 1.00 0.00 H new ATOM 0 HB2 ASN A 133 -19.227 -5.761 6.962 1.00 0.00 H new ATOM 0 HB3 ASN A 133 -20.484 -6.839 6.390 1.00 0.00 H new ATOM 0 HD21 ASN A 133 -17.652 -7.019 7.986 1.00 0.00 H new ATOM 0 HD22 ASN A 133 -17.096 -8.587 7.392 1.00 0.00 H new ATOM 48 N MET A 134 -17.243 -6.925 4.146 1.00 0.00 N ATOM 49 CA MET A 134 -15.830 -6.952 3.807 1.00 0.00 C ATOM 50 C MET A 134 -15.560 -6.175 2.517 1.00 0.00 C ATOM 51 O MET A 134 -14.676 -5.321 2.475 1.00 0.00 O ATOM 52 CB MET A 134 -15.373 -8.401 3.636 1.00 0.00 C ATOM 53 CG MET A 134 -15.205 -9.087 4.994 1.00 0.00 C ATOM 54 SD MET A 134 -13.940 -8.258 5.944 1.00 0.00 S ATOM 55 CE MET A 134 -12.480 -8.923 5.161 1.00 0.00 C ATOM 0 H MET A 134 -17.710 -7.830 4.098 1.00 0.00 H new ATOM 0 HA MET A 134 -15.273 -6.480 4.616 1.00 0.00 H new ATOM 0 HB2 MET A 134 -16.101 -8.947 3.036 1.00 0.00 H new ATOM 0 HB3 MET A 134 -14.429 -8.426 3.092 1.00 0.00 H new ATOM 0 HG2 MET A 134 -16.149 -9.071 5.538 1.00 0.00 H new ATOM 0 HG3 MET A 134 -14.937 -10.134 4.851 1.00 0.00 H new ATOM 0 HE1 MET A 134 -11.607 -8.712 5.779 1.00 0.00 H new ATOM 0 HE2 MET A 134 -12.589 -10.001 5.044 1.00 0.00 H new ATOM 0 HE3 MET A 134 -12.351 -8.463 4.181 1.00 0.00 H new ATOM 63 N ASP A 135 -16.338 -6.500 1.495 1.00 0.00 N ATOM 64 CA ASP A 135 -16.195 -5.844 0.206 1.00 0.00 C ATOM 65 C ASP A 135 -16.248 -4.327 0.403 1.00 0.00 C ATOM 66 O ASP A 135 -15.573 -3.582 -0.305 1.00 0.00 O ATOM 67 CB ASP A 135 -17.329 -6.238 -0.742 1.00 0.00 C ATOM 68 CG ASP A 135 -17.054 -5.973 -2.224 1.00 0.00 C ATOM 69 OD1 ASP A 135 -16.178 -6.675 -2.773 1.00 0.00 O ATOM 70 OD2 ASP A 135 -17.726 -5.074 -2.773 1.00 0.00 O ATOM 0 H ASP A 135 -17.070 -7.209 1.533 1.00 0.00 H new ATOM 0 HA ASP A 135 -15.242 -6.151 -0.225 1.00 0.00 H new ATOM 0 HB2 ASP A 135 -17.540 -7.299 -0.611 1.00 0.00 H new ATOM 0 HB3 ASP A 135 -18.229 -5.696 -0.452 1.00 0.00 H new ATOM 74 N LEU A 136 -17.058 -3.916 1.368 1.00 0.00 N ATOM 75 CA LEU A 136 -17.209 -2.501 1.665 1.00 0.00 C ATOM 76 C LEU A 136 -15.925 -1.982 2.316 1.00 0.00 C ATOM 77 O LEU A 136 -15.368 -0.974 1.884 1.00 0.00 O ATOM 78 CB LEU A 136 -18.464 -2.261 2.505 1.00 0.00 C ATOM 79 CG LEU A 136 -18.880 -0.800 2.688 1.00 0.00 C ATOM 80 CD1 LEU A 136 -19.227 -0.156 1.344 1.00 0.00 C ATOM 81 CD2 LEU A 136 -20.024 -0.678 3.696 1.00 0.00 C ATOM 0 H LEU A 136 -17.616 -4.537 1.954 1.00 0.00 H new ATOM 0 HA LEU A 136 -17.355 -1.932 0.747 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -19.293 -2.799 2.045 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -18.307 -2.699 3.490 1.00 0.00 H new ATOM 0 HG LEU A 136 -18.032 -0.252 3.097 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -19.519 0.882 1.503 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -18.357 -0.192 0.688 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -20.052 -0.699 0.883 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -20.300 0.370 3.808 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -20.885 -1.244 3.340 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -19.703 -1.073 4.660 1.00 0.00 H new ATOM 92 N ARG A 137 -15.492 -2.694 3.346 1.00 0.00 N ATOM 93 CA ARG A 137 -14.284 -2.319 4.061 1.00 0.00 C ATOM 94 C ARG A 137 -13.148 -2.042 3.075 1.00 0.00 C ATOM 95 O ARG A 137 -12.610 -0.936 3.036 1.00 0.00 O ATOM 96 CB ARG A 137 -13.851 -3.421 5.030 1.00 0.00 C ATOM 97 CG ARG A 137 -14.984 -3.776 5.997 1.00 0.00 C ATOM 98 CD ARG A 137 -14.477 -3.825 7.440 1.00 0.00 C ATOM 99 NE ARG A 137 -15.621 -3.820 8.378 1.00 0.00 N ATOM 100 CZ ARG A 137 -16.375 -2.742 8.639 1.00 0.00 C ATOM 101 NH1 ARG A 137 -16.108 -1.577 8.035 1.00 0.00 N ATOM 102 NH2 ARG A 137 -17.393 -2.832 9.505 1.00 0.00 N ATOM 0 H ARG A 137 -15.957 -3.529 3.703 1.00 0.00 H new ATOM 0 HA ARG A 137 -14.504 -1.416 4.631 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -13.555 -4.308 4.469 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -12.977 -3.093 5.593 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -15.783 -3.039 5.913 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -15.411 -4.741 5.725 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -13.875 -4.721 7.592 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -13.831 -2.969 7.637 1.00 0.00 H new ATOM 0 HE ARG A 137 -15.851 -4.691 8.856 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -15.332 -1.510 7.377 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -16.681 -0.757 8.233 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -17.594 -3.720 9.965 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -17.967 -2.013 9.704 1.00 0.00 H new ATOM 113 N ALA A 138 -12.814 -3.066 2.303 1.00 0.00 N ATOM 114 CA ALA A 138 -11.751 -2.947 1.319 1.00 0.00 C ATOM 115 C ALA A 138 -12.132 -1.881 0.291 1.00 0.00 C ATOM 116 O ALA A 138 -11.442 -0.872 0.152 1.00 0.00 O ATOM 117 CB ALA A 138 -11.494 -4.311 0.677 1.00 0.00 C ATOM 0 H ALA A 138 -13.261 -3.982 2.339 1.00 0.00 H new ATOM 0 HA ALA A 138 -10.822 -2.631 1.794 1.00 0.00 H new ATOM 0 HB1 ALA A 138 -10.697 -4.221 -0.061 1.00 0.00 H new ATOM 0 HB2 ALA A 138 -11.198 -5.025 1.446 1.00 0.00 H new ATOM 0 HB3 ALA A 138 -12.403 -4.660 0.188 1.00 0.00 H new ATOM 123 N ASN A 139 -13.228 -2.141 -0.406 1.00 0.00 N ATOM 124 CA ASN A 139 -13.709 -1.216 -1.419 1.00 0.00 C ATOM 125 C ASN A 139 -13.489 0.219 -0.939 1.00 0.00 C ATOM 126 O ASN A 139 -13.220 1.112 -1.741 1.00 0.00 O ATOM 127 CB ASN A 139 -15.206 -1.406 -1.672 1.00 0.00 C ATOM 128 CG ASN A 139 -15.756 -0.295 -2.569 1.00 0.00 C ATOM 129 OD1 ASN A 139 -15.121 0.148 -3.512 1.00 0.00 O ATOM 130 ND2 ASN A 139 -16.969 0.128 -2.224 1.00 0.00 N ATOM 0 H ASN A 139 -13.797 -2.979 -0.289 1.00 0.00 H new ATOM 0 HA ASN A 139 -13.160 -1.410 -2.340 1.00 0.00 H new ATOM 0 HB2 ASN A 139 -15.379 -2.375 -2.140 1.00 0.00 H new ATOM 0 HB3 ASN A 139 -15.741 -1.410 -0.722 1.00 0.00 H new ATOM 0 HD21 ASN A 139 -17.423 0.867 -2.761 1.00 0.00 H new ATOM 0 HD22 ASN A 139 -17.445 -0.286 -1.423 1.00 0.00 H new ATOM 136 N LEU A 140 -13.612 0.397 0.369 1.00 0.00 N ATOM 137 CA LEU A 140 -13.430 1.708 0.967 1.00 0.00 C ATOM 138 C LEU A 140 -11.937 1.962 1.184 1.00 0.00 C ATOM 139 O LEU A 140 -11.316 2.714 0.435 1.00 0.00 O ATOM 140 CB LEU A 140 -14.268 1.839 2.239 1.00 0.00 C ATOM 141 CG LEU A 140 -15.690 2.372 2.055 1.00 0.00 C ATOM 142 CD1 LEU A 140 -16.475 2.307 3.367 1.00 0.00 C ATOM 143 CD2 LEU A 140 -15.675 3.784 1.466 1.00 0.00 C ATOM 0 H LEU A 140 -13.836 -0.346 1.031 1.00 0.00 H new ATOM 0 HA LEU A 140 -13.792 2.486 0.295 1.00 0.00 H new ATOM 0 HB2 LEU A 140 -14.327 0.859 2.713 1.00 0.00 H new ATOM 0 HB3 LEU A 140 -13.742 2.497 2.931 1.00 0.00 H new ATOM 0 HG LEU A 140 -16.205 1.730 1.340 1.00 0.00 H new ATOM 0 HD11 LEU A 140 -17.482 2.692 3.208 1.00 0.00 H new ATOM 0 HD12 LEU A 140 -16.531 1.273 3.707 1.00 0.00 H new ATOM 0 HD13 LEU A 140 -15.971 2.910 4.123 1.00 0.00 H new ATOM 0 HD21 LEU A 140 -16.699 4.139 1.346 1.00 0.00 H new ATOM 0 HD22 LEU A 140 -15.136 4.452 2.137 1.00 0.00 H new ATOM 0 HD23 LEU A 140 -15.180 3.768 0.495 1.00 0.00 H new ATOM 172 N GLN A 142 -9.196 -0.145 0.939 1.00 0.00 N ATOM 173 CA GLN A 142 -8.445 -0.614 -0.213 1.00 0.00 C ATOM 174 C GLN A 142 -7.153 0.190 -0.367 1.00 0.00 C ATOM 175 O GLN A 142 -7.114 1.172 -1.107 1.00 0.00 O ATOM 176 CB GLN A 142 -9.291 -0.542 -1.486 1.00 0.00 C ATOM 177 CG GLN A 142 -9.972 0.822 -1.614 1.00 0.00 C ATOM 178 CD GLN A 142 -10.125 1.222 -3.083 1.00 0.00 C ATOM 179 OE1 GLN A 142 -8.995 1.161 -3.781 1.00 0.00 O flip ATOM 180 NE2 GLN A 142 -11.199 1.564 -3.552 1.00 0.00 N flip ATOM 0 HA GLN A 142 -8.182 -1.659 -0.050 1.00 0.00 H new ATOM 0 HB2 GLN A 142 -8.660 -0.721 -2.357 1.00 0.00 H new ATOM 0 HB3 GLN A 142 -10.045 -1.329 -1.471 1.00 0.00 H new ATOM 0 HG2 GLN A 142 -10.952 0.789 -1.138 1.00 0.00 H new ATOM 0 HG3 GLN A 142 -9.387 1.576 -1.087 1.00 0.00 H new ATOM 0 HE21 GLN A 142 -12.029 1.589 -2.960 1.00 0.00 H new ATOM 0 HE22 GLN A 142 -11.266 1.825 -4.536 1.00 0.00 H new ATOM 187 N VAL A 143 -6.127 -0.255 0.343 1.00 0.00 N ATOM 188 CA VAL A 143 -4.838 0.411 0.295 1.00 0.00 C ATOM 189 C VAL A 143 -4.990 1.846 0.802 1.00 0.00 C ATOM 190 O VAL A 143 -5.825 2.599 0.305 1.00 0.00 O ATOM 191 CB VAL A 143 -4.263 0.336 -1.122 1.00 0.00 C ATOM 192 CG1 VAL A 143 -4.991 -0.722 -1.953 1.00 0.00 C ATOM 193 CG2 VAL A 143 -4.314 1.704 -1.807 1.00 0.00 C ATOM 0 H VAL A 143 -6.163 -1.070 0.955 1.00 0.00 H new ATOM 0 HA VAL A 143 -4.125 -0.091 0.949 1.00 0.00 H new ATOM 0 HB VAL A 143 -3.217 0.039 -1.045 1.00 0.00 H new ATOM 0 HG11 VAL A 143 -4.563 -0.755 -2.955 1.00 0.00 H new ATOM 0 HG12 VAL A 143 -4.880 -1.697 -1.479 1.00 0.00 H new ATOM 0 HG13 VAL A 143 -6.049 -0.469 -2.018 1.00 0.00 H new ATOM 0 HG21 VAL A 143 -3.900 1.623 -2.812 1.00 0.00 H new ATOM 0 HG22 VAL A 143 -5.348 2.043 -1.867 1.00 0.00 H new ATOM 0 HG23 VAL A 143 -3.730 2.422 -1.230 1.00 0.00 H new ATOM 203 N LYS A 144 -4.170 2.181 1.788 1.00 0.00 N ATOM 204 CA LYS A 144 -4.203 3.513 2.369 1.00 0.00 C ATOM 205 C LYS A 144 -2.786 4.089 2.395 1.00 0.00 C ATOM 206 O LYS A 144 -2.256 4.395 3.462 1.00 0.00 O ATOM 207 CB LYS A 144 -4.879 3.481 3.741 1.00 0.00 C ATOM 208 CG LYS A 144 -6.392 3.297 3.603 1.00 0.00 C ATOM 209 CD LYS A 144 -7.142 4.540 4.088 1.00 0.00 C ATOM 210 CE LYS A 144 -8.530 4.171 4.617 1.00 0.00 C ATOM 211 NZ LYS A 144 -9.560 5.054 4.028 1.00 0.00 N ATOM 0 H LYS A 144 -3.479 1.553 2.199 1.00 0.00 H new ATOM 0 HA LYS A 144 -4.808 4.182 1.756 1.00 0.00 H new ATOM 0 HB2 LYS A 144 -4.463 2.668 4.336 1.00 0.00 H new ATOM 0 HB3 LYS A 144 -4.669 4.407 4.276 1.00 0.00 H new ATOM 0 HG2 LYS A 144 -6.644 3.099 2.561 1.00 0.00 H new ATOM 0 HG3 LYS A 144 -6.710 2.428 4.179 1.00 0.00 H new ATOM 0 HD2 LYS A 144 -6.568 5.032 4.874 1.00 0.00 H new ATOM 0 HD3 LYS A 144 -7.239 5.253 3.270 1.00 0.00 H new ATOM 0 HE2 LYS A 144 -8.753 3.131 4.376 1.00 0.00 H new ATOM 0 HE3 LYS A 144 -8.546 4.257 5.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 -10.496 4.790 4.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 -9.355 6.042 4.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 -9.555 4.951 2.993 1.00 0.00 H new ATOM 221 N LYS A 145 -2.212 4.218 1.208 1.00 0.00 N ATOM 222 CA LYS A 145 -0.867 4.752 1.082 1.00 0.00 C ATOM 223 C LYS A 145 -0.868 6.227 1.490 1.00 0.00 C ATOM 224 O LYS A 145 -1.821 6.952 1.210 1.00 0.00 O ATOM 225 CB LYS A 145 -0.323 4.504 -0.328 1.00 0.00 C ATOM 226 CG LYS A 145 0.974 3.695 -0.280 1.00 0.00 C ATOM 227 CD LYS A 145 1.783 3.878 -1.566 1.00 0.00 C ATOM 228 CE LYS A 145 3.190 3.296 -1.416 1.00 0.00 C ATOM 229 NZ LYS A 145 3.723 2.886 -2.735 1.00 0.00 N ATOM 0 H LYS A 145 -2.654 3.962 0.325 1.00 0.00 H new ATOM 0 HA LYS A 145 -0.186 4.235 1.758 1.00 0.00 H new ATOM 0 HB2 LYS A 145 -1.067 3.971 -0.920 1.00 0.00 H new ATOM 0 HB3 LYS A 145 -0.143 5.457 -0.825 1.00 0.00 H new ATOM 0 HG2 LYS A 145 1.571 4.008 0.577 1.00 0.00 H new ATOM 0 HG3 LYS A 145 0.743 2.639 -0.139 1.00 0.00 H new ATOM 0 HD2 LYS A 145 1.270 3.390 -2.395 1.00 0.00 H new ATOM 0 HD3 LYS A 145 1.848 4.938 -1.811 1.00 0.00 H new ATOM 0 HE2 LYS A 145 3.850 4.036 -0.964 1.00 0.00 H new ATOM 0 HE3 LYS A 145 3.166 2.438 -0.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 145 4.679 2.493 -2.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 145 3.101 2.164 -3.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 145 3.764 3.713 -3.365 1.00 0.00 H new ATOM 239 N GLU A 146 0.213 6.626 2.145 1.00 0.00 N ATOM 240 CA GLU A 146 0.349 8.001 2.595 1.00 0.00 C ATOM 241 C GLU A 146 1.822 8.415 2.600 1.00 0.00 C ATOM 242 O GLU A 146 2.184 9.427 3.197 1.00 0.00 O ATOM 243 CB GLU A 146 -0.278 8.190 3.977 1.00 0.00 C ATOM 244 CG GLU A 146 -1.645 8.871 3.871 1.00 0.00 C ATOM 245 CD GLU A 146 -2.321 8.961 5.241 1.00 0.00 C ATOM 246 OE1 GLU A 146 -2.794 7.903 5.710 1.00 0.00 O ATOM 247 OE2 GLU A 146 -2.349 10.084 5.787 1.00 0.00 O ATOM 0 H GLU A 146 1.002 6.022 2.375 1.00 0.00 H new ATOM 0 HA GLU A 146 -0.187 8.645 1.898 1.00 0.00 H new ATOM 0 HB2 GLU A 146 -0.387 7.222 4.466 1.00 0.00 H new ATOM 0 HB3 GLU A 146 0.384 8.790 4.601 1.00 0.00 H new ATOM 0 HG2 GLU A 146 -1.526 9.871 3.454 1.00 0.00 H new ATOM 0 HG3 GLU A 146 -2.281 8.313 3.184 1.00 0.00 H new ATOM 252 N ASP A 147 2.632 7.610 1.927 1.00 0.00 N ATOM 253 CA ASP A 147 4.057 7.879 1.847 1.00 0.00 C ATOM 254 C ASP A 147 4.812 6.560 1.673 1.00 0.00 C ATOM 255 O ASP A 147 4.436 5.544 2.255 1.00 0.00 O ATOM 256 CB ASP A 147 4.565 8.550 3.125 1.00 0.00 C ATOM 257 CG ASP A 147 4.665 10.075 3.060 1.00 0.00 C ATOM 258 OD1 ASP A 147 5.075 10.571 1.988 1.00 0.00 O ATOM 259 OD2 ASP A 147 4.330 10.710 4.083 1.00 0.00 O ATOM 0 H ASP A 147 2.328 6.771 1.432 1.00 0.00 H new ATOM 0 HA ASP A 147 4.227 8.543 1.000 1.00 0.00 H new ATOM 0 HB2 ASP A 147 3.903 8.279 3.947 1.00 0.00 H new ATOM 0 HB3 ASP A 147 5.549 8.146 3.363 1.00 0.00 H new ATOM 263 N THR A 148 5.864 6.619 0.870 1.00 0.00 N ATOM 264 CA THR A 148 6.676 5.441 0.612 1.00 0.00 C ATOM 265 C THR A 148 6.994 4.715 1.922 1.00 0.00 C ATOM 266 O THR A 148 7.121 3.493 1.942 1.00 0.00 O ATOM 267 CB THR A 148 7.923 5.884 -0.155 1.00 0.00 C ATOM 268 OG1 THR A 148 8.673 4.684 -0.322 1.00 0.00 O ATOM 269 CG2 THR A 148 8.836 6.782 0.681 1.00 0.00 C ATOM 0 H THR A 148 6.173 7.464 0.389 1.00 0.00 H new ATOM 0 HA THR A 148 6.139 4.718 -0.002 1.00 0.00 H new ATOM 0 HB THR A 148 7.624 6.413 -1.060 1.00 0.00 H new ATOM 0 HG1 THR A 148 9.499 4.880 -0.812 1.00 0.00 H new ATOM 0 HG21 THR A 148 9.706 7.068 0.090 1.00 0.00 H new ATOM 0 HG22 THR A 148 8.291 7.677 0.981 1.00 0.00 H new ATOM 0 HG23 THR A 148 9.163 6.242 1.570 1.00 0.00 H new ATOM 277 N GLU A 149 7.112 5.501 2.982 1.00 0.00 N ATOM 278 CA GLU A 149 7.412 4.949 4.292 1.00 0.00 C ATOM 279 C GLU A 149 6.161 4.960 5.173 1.00 0.00 C ATOM 280 O GLU A 149 6.250 5.171 6.382 1.00 0.00 O ATOM 281 CB GLU A 149 8.559 5.711 4.958 1.00 0.00 C ATOM 282 CG GLU A 149 9.902 5.034 4.680 1.00 0.00 C ATOM 283 CD GLU A 149 10.514 4.479 5.969 1.00 0.00 C ATOM 284 OE1 GLU A 149 9.788 3.742 6.670 1.00 0.00 O ATOM 285 OE2 GLU A 149 11.693 4.806 6.224 1.00 0.00 O ATOM 0 H GLU A 149 7.005 6.515 2.960 1.00 0.00 H new ATOM 0 HA GLU A 149 7.732 3.915 4.164 1.00 0.00 H new ATOM 0 HB2 GLU A 149 8.582 6.736 4.589 1.00 0.00 H new ATOM 0 HB3 GLU A 149 8.390 5.763 6.034 1.00 0.00 H new ATOM 0 HG2 GLU A 149 9.764 4.226 3.961 1.00 0.00 H new ATOM 0 HG3 GLU A 149 10.587 5.750 4.227 1.00 0.00 H new ATOM 290 N LYS A 150 5.024 4.732 4.533 1.00 0.00 N ATOM 291 CA LYS A 150 3.756 4.714 5.242 1.00 0.00 C ATOM 292 C LYS A 150 2.651 4.247 4.293 1.00 0.00 C ATOM 293 O LYS A 150 2.225 4.996 3.415 1.00 0.00 O ATOM 294 CB LYS A 150 3.482 6.075 5.884 1.00 0.00 C ATOM 295 CG LYS A 150 4.000 6.119 7.323 1.00 0.00 C ATOM 296 CD LYS A 150 5.056 7.214 7.492 1.00 0.00 C ATOM 297 CE LYS A 150 6.185 6.750 8.414 1.00 0.00 C ATOM 298 NZ LYS A 150 6.062 7.385 9.745 1.00 0.00 N ATOM 0 H LYS A 150 4.954 4.558 3.530 1.00 0.00 H new ATOM 0 HA LYS A 150 3.790 4.000 6.065 1.00 0.00 H new ATOM 0 HB2 LYS A 150 3.960 6.860 5.298 1.00 0.00 H new ATOM 0 HB3 LYS A 150 2.411 6.277 5.873 1.00 0.00 H new ATOM 0 HG2 LYS A 150 3.171 6.300 8.007 1.00 0.00 H new ATOM 0 HG3 LYS A 150 4.427 5.152 7.589 1.00 0.00 H new ATOM 0 HD2 LYS A 150 5.465 7.483 6.518 1.00 0.00 H new ATOM 0 HD3 LYS A 150 4.592 8.111 7.902 1.00 0.00 H new ATOM 0 HE2 LYS A 150 6.155 5.665 8.518 1.00 0.00 H new ATOM 0 HE3 LYS A 150 7.149 7.001 7.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 6.836 7.059 10.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 6.113 8.419 9.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 5.150 7.124 10.171 1.00 0.00 H new ATOM 308 N GLU A 151 2.219 3.012 4.500 1.00 0.00 N ATOM 309 CA GLU A 151 1.171 2.437 3.674 1.00 0.00 C ATOM 310 C GLU A 151 0.270 1.531 4.514 1.00 0.00 C ATOM 311 O GLU A 151 0.651 0.410 4.852 1.00 0.00 O ATOM 312 CB GLU A 151 1.766 1.673 2.489 1.00 0.00 C ATOM 313 CG GLU A 151 3.175 1.174 2.810 1.00 0.00 C ATOM 314 CD GLU A 151 3.206 0.441 4.153 1.00 0.00 C ATOM 315 OE1 GLU A 151 2.756 -0.725 4.172 1.00 0.00 O ATOM 316 OE2 GLU A 151 3.678 1.063 5.128 1.00 0.00 O ATOM 0 H GLU A 151 2.576 2.393 5.228 1.00 0.00 H new ATOM 0 HA GLU A 151 0.564 3.249 3.273 1.00 0.00 H new ATOM 0 HB2 GLU A 151 1.125 0.828 2.238 1.00 0.00 H new ATOM 0 HB3 GLU A 151 1.797 2.321 1.613 1.00 0.00 H new ATOM 0 HG2 GLU A 151 3.517 0.506 2.019 1.00 0.00 H new ATOM 0 HG3 GLU A 151 3.866 2.017 2.836 1.00 0.00 H new ATOM 321 N LYS A 152 -0.909 2.048 4.827 1.00 0.00 N ATOM 322 CA LYS A 152 -1.869 1.299 5.622 1.00 0.00 C ATOM 323 C LYS A 152 -2.392 0.118 4.801 1.00 0.00 C ATOM 324 O LYS A 152 -3.067 0.311 3.791 1.00 0.00 O ATOM 325 CB LYS A 152 -2.971 2.223 6.143 1.00 0.00 C ATOM 326 CG LYS A 152 -2.764 2.542 7.625 1.00 0.00 C ATOM 327 CD LYS A 152 -3.357 1.446 8.510 1.00 0.00 C ATOM 328 CE LYS A 152 -2.255 0.606 9.156 1.00 0.00 C ATOM 329 NZ LYS A 152 -2.813 -0.653 9.699 1.00 0.00 N ATOM 0 H LYS A 152 -1.222 2.977 4.545 1.00 0.00 H new ATOM 0 HA LYS A 152 -1.389 0.884 6.508 1.00 0.00 H new ATOM 0 HB2 LYS A 152 -2.978 3.148 5.566 1.00 0.00 H new ATOM 0 HB3 LYS A 152 -3.943 1.751 6.001 1.00 0.00 H new ATOM 0 HG2 LYS A 152 -1.699 2.646 7.833 1.00 0.00 H new ATOM 0 HG3 LYS A 152 -3.230 3.498 7.863 1.00 0.00 H new ATOM 0 HD2 LYS A 152 -3.978 1.896 9.285 1.00 0.00 H new ATOM 0 HD3 LYS A 152 -4.006 0.804 7.914 1.00 0.00 H new ATOM 0 HE2 LYS A 152 -1.483 0.381 8.420 1.00 0.00 H new ATOM 0 HE3 LYS A 152 -1.778 1.174 9.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 152 -2.051 -1.211 10.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 152 -3.533 -0.433 10.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 152 -3.247 -1.201 8.929 1.00 0.00 H new ATOM 339 N ASP A 153 -2.060 -1.077 5.266 1.00 0.00 N ATOM 340 CA ASP A 153 -2.489 -2.288 4.587 1.00 0.00 C ATOM 341 C ASP A 153 -3.654 -2.914 5.358 1.00 0.00 C ATOM 342 O ASP A 153 -3.516 -3.250 6.533 1.00 0.00 O ATOM 343 CB ASP A 153 -1.357 -3.315 4.527 1.00 0.00 C ATOM 344 CG ASP A 153 -1.335 -4.323 5.677 1.00 0.00 C ATOM 345 OD1 ASP A 153 -2.282 -5.135 5.739 1.00 0.00 O ATOM 346 OD2 ASP A 153 -0.371 -4.258 6.470 1.00 0.00 O ATOM 0 H ASP A 153 -1.499 -1.233 6.104 1.00 0.00 H new ATOM 0 HA ASP A 153 -2.787 -2.019 3.574 1.00 0.00 H new ATOM 0 HB2 ASP A 153 -1.432 -3.861 3.587 1.00 0.00 H new ATOM 0 HB3 ASP A 153 -0.405 -2.784 4.512 1.00 0.00 H new ATOM 350 N LEU A 154 -4.774 -3.051 4.664 1.00 0.00 N ATOM 351 CA LEU A 154 -5.962 -3.631 5.268 1.00 0.00 C ATOM 352 C LEU A 154 -6.254 -4.983 4.614 1.00 0.00 C ATOM 353 O LEU A 154 -5.437 -5.496 3.851 1.00 0.00 O ATOM 354 CB LEU A 154 -7.133 -2.648 5.198 1.00 0.00 C ATOM 355 CG LEU A 154 -7.158 -1.722 3.981 1.00 0.00 C ATOM 356 CD1 LEU A 154 -6.119 -0.607 4.118 1.00 0.00 C ATOM 357 CD2 LEU A 154 -6.981 -2.515 2.684 1.00 0.00 C ATOM 0 H LEU A 154 -4.884 -2.771 3.690 1.00 0.00 H new ATOM 0 HA LEU A 154 -5.797 -3.819 6.329 1.00 0.00 H new ATOM 0 HB2 LEU A 154 -8.062 -3.218 5.215 1.00 0.00 H new ATOM 0 HB3 LEU A 154 -7.120 -2.033 6.098 1.00 0.00 H new ATOM 0 HG LEU A 154 -8.137 -1.245 3.935 1.00 0.00 H new ATOM 0 HD11 LEU A 154 -6.158 0.037 3.239 1.00 0.00 H new ATOM 0 HD12 LEU A 154 -6.333 -0.018 5.009 1.00 0.00 H new ATOM 0 HD13 LEU A 154 -5.124 -1.045 4.203 1.00 0.00 H new ATOM 0 HD21 LEU A 154 -7.003 -1.832 1.834 1.00 0.00 H new ATOM 0 HD22 LEU A 154 -6.025 -3.038 2.705 1.00 0.00 H new ATOM 0 HD23 LEU A 154 -7.789 -3.240 2.588 1.00 0.00 H new ATOM 368 N ARG A 155 -7.421 -5.520 4.937 1.00 0.00 N ATOM 369 CA ARG A 155 -7.831 -6.802 4.390 1.00 0.00 C ATOM 370 C ARG A 155 -7.960 -6.714 2.869 1.00 0.00 C ATOM 371 O ARG A 155 -8.448 -5.717 2.340 1.00 0.00 O ATOM 372 CB ARG A 155 -9.168 -7.253 4.983 1.00 0.00 C ATOM 373 CG ARG A 155 -10.174 -6.101 5.001 1.00 0.00 C ATOM 374 CD ARG A 155 -10.361 -5.557 6.419 1.00 0.00 C ATOM 375 NE ARG A 155 -10.845 -4.160 6.368 1.00 0.00 N ATOM 376 CZ ARG A 155 -10.972 -3.368 7.441 1.00 0.00 C ATOM 377 NH1 ARG A 155 -10.651 -3.831 8.656 1.00 0.00 N ATOM 378 NH2 ARG A 155 -11.418 -2.113 7.299 1.00 0.00 N ATOM 0 H ARG A 155 -8.096 -5.091 5.570 1.00 0.00 H new ATOM 0 HA ARG A 155 -7.066 -7.533 4.651 1.00 0.00 H new ATOM 0 HB2 ARG A 155 -9.568 -8.082 4.399 1.00 0.00 H new ATOM 0 HB3 ARG A 155 -9.014 -7.623 5.997 1.00 0.00 H new ATOM 0 HG2 ARG A 155 -9.829 -5.302 4.344 1.00 0.00 H new ATOM 0 HG3 ARG A 155 -11.132 -6.444 4.610 1.00 0.00 H new ATOM 0 HD2 ARG A 155 -11.073 -6.177 6.964 1.00 0.00 H new ATOM 0 HD3 ARG A 155 -9.417 -5.603 6.962 1.00 0.00 H new ATOM 0 HE ARG A 155 -11.098 -3.775 5.458 1.00 0.00 H new ATOM 0 HH11 ARG A 155 -10.310 -4.786 8.764 1.00 0.00 H new ATOM 0 HH12 ARG A 155 -10.747 -3.228 9.473 1.00 0.00 H new ATOM 0 HH21 ARG A 155 -11.661 -1.760 6.374 1.00 0.00 H new ATOM 0 HH22 ARG A 155 -11.514 -1.511 8.116 1.00 0.00 H new ATOM 389 N ASP A 156 -7.513 -7.771 2.206 1.00 0.00 N ATOM 390 CA ASP A 156 -7.573 -7.825 0.755 1.00 0.00 C ATOM 391 C ASP A 156 -6.343 -7.128 0.172 1.00 0.00 C ATOM 392 O ASP A 156 -6.170 -7.081 -1.044 1.00 0.00 O ATOM 393 CB ASP A 156 -8.817 -7.109 0.227 1.00 0.00 C ATOM 394 CG ASP A 156 -9.450 -7.740 -1.014 1.00 0.00 C ATOM 395 OD1 ASP A 156 -8.953 -8.813 -1.421 1.00 0.00 O ATOM 396 OD2 ASP A 156 -10.416 -7.136 -1.529 1.00 0.00 O ATOM 0 H ASP A 156 -7.108 -8.597 2.647 1.00 0.00 H new ATOM 0 HA ASP A 156 -7.608 -8.873 0.458 1.00 0.00 H new ATOM 0 HB2 ASP A 156 -9.564 -7.077 1.021 1.00 0.00 H new ATOM 0 HB3 ASP A 156 -8.553 -6.077 -0.004 1.00 0.00 H new ATOM 400 N VAL A 157 -5.520 -6.601 1.068 1.00 0.00 N ATOM 401 CA VAL A 157 -4.311 -5.908 0.658 1.00 0.00 C ATOM 402 C VAL A 157 -3.415 -6.872 -0.122 1.00 0.00 C ATOM 403 O VAL A 157 -3.095 -6.625 -1.284 1.00 0.00 O ATOM 404 CB VAL A 157 -3.616 -5.302 1.879 1.00 0.00 C ATOM 405 CG1 VAL A 157 -3.234 -6.388 2.887 1.00 0.00 C ATOM 406 CG2 VAL A 157 -2.392 -4.484 1.463 1.00 0.00 C ATOM 0 H VAL A 157 -5.668 -6.640 2.077 1.00 0.00 H new ATOM 0 HA VAL A 157 -4.553 -5.079 -0.007 1.00 0.00 H new ATOM 0 HB VAL A 157 -4.320 -4.627 2.365 1.00 0.00 H new ATOM 0 HG11 VAL A 157 -2.742 -5.931 3.745 1.00 0.00 H new ATOM 0 HG12 VAL A 157 -4.132 -6.909 3.219 1.00 0.00 H new ATOM 0 HG13 VAL A 157 -2.556 -7.099 2.416 1.00 0.00 H new ATOM 0 HG21 VAL A 157 -1.916 -4.064 2.349 1.00 0.00 H new ATOM 0 HG22 VAL A 157 -1.684 -5.128 0.942 1.00 0.00 H new ATOM 0 HG23 VAL A 157 -2.702 -3.676 0.801 1.00 0.00 H new ATOM 416 N GLY A 158 -3.036 -7.951 0.547 1.00 0.00 N ATOM 417 CA GLY A 158 -2.183 -8.953 -0.070 1.00 0.00 C ATOM 418 C GLY A 158 -1.641 -8.460 -1.412 1.00 0.00 C ATOM 419 O GLY A 158 -0.539 -7.917 -1.478 1.00 0.00 O ATOM 0 H GLY A 158 -3.304 -8.153 1.510 1.00 0.00 H new ATOM 0 HA2 GLY A 158 -1.354 -9.190 0.596 1.00 0.00 H new ATOM 0 HA3 GLY A 158 -2.746 -9.874 -0.218 1.00 0.00 H new ATOM 423 N ASP A 159 -2.439 -8.667 -2.449 1.00 0.00 N ATOM 424 CA ASP A 159 -2.051 -8.251 -3.786 1.00 0.00 C ATOM 425 C ASP A 159 -1.271 -6.938 -3.700 1.00 0.00 C ATOM 426 O ASP A 159 -0.040 -6.943 -3.683 1.00 0.00 O ATOM 427 CB ASP A 159 -3.281 -8.013 -4.666 1.00 0.00 C ATOM 428 CG ASP A 159 -3.885 -9.273 -5.287 1.00 0.00 C ATOM 429 OD1 ASP A 159 -3.100 -10.214 -5.539 1.00 0.00 O ATOM 430 OD2 ASP A 159 -5.116 -9.268 -5.497 1.00 0.00 O ATOM 0 H ASP A 159 -3.352 -9.117 -2.390 1.00 0.00 H new ATOM 0 HA ASP A 159 -1.441 -9.042 -4.223 1.00 0.00 H new ATOM 0 HB2 ASP A 159 -4.046 -7.518 -4.068 1.00 0.00 H new ATOM 0 HB3 ASP A 159 -3.008 -7.326 -5.467 1.00 0.00 H new ATOM 434 N TRP A 160 -2.017 -5.844 -3.650 1.00 0.00 N ATOM 435 CA TRP A 160 -1.409 -4.526 -3.567 1.00 0.00 C ATOM 436 C TRP A 160 -0.437 -4.528 -2.386 1.00 0.00 C ATOM 437 O TRP A 160 0.500 -3.730 -2.347 1.00 0.00 O ATOM 438 CB TRP A 160 -2.477 -3.436 -3.461 1.00 0.00 C ATOM 439 CG TRP A 160 -2.765 -2.985 -2.028 1.00 0.00 C ATOM 440 CD1 TRP A 160 -3.737 -3.410 -1.209 1.00 0.00 C ATOM 441 CD2 TRP A 160 -2.032 -1.998 -1.273 1.00 0.00 C ATOM 442 NE1 TRP A 160 -3.684 -2.771 0.013 1.00 0.00 N ATOM 443 CE2 TRP A 160 -2.614 -1.886 -0.027 1.00 0.00 C ATOM 444 CE3 TRP A 160 -0.913 -1.225 -1.631 1.00 0.00 C ATOM 445 CZ2 TRP A 160 -2.147 -1.011 0.961 1.00 0.00 C ATOM 446 CZ3 TRP A 160 -0.458 -0.356 -0.633 1.00 0.00 C ATOM 447 CH2 TRP A 160 -1.033 -0.231 0.627 1.00 0.00 C ATOM 0 H TRP A 160 -3.037 -5.843 -3.665 1.00 0.00 H new ATOM 0 HA TRP A 160 -0.852 -4.300 -4.476 1.00 0.00 H new ATOM 0 HB2 TRP A 160 -2.160 -2.573 -4.046 1.00 0.00 H new ATOM 0 HB3 TRP A 160 -3.401 -3.802 -3.908 1.00 0.00 H new ATOM 0 HD1 TRP A 160 -4.470 -4.159 -1.472 1.00 0.00 H new ATOM 0 HE1 TRP A 160 -4.314 -2.921 0.801 1.00 0.00 H new ATOM 0 HE3 TRP A 160 -0.442 -1.296 -2.600 1.00 0.00 H new ATOM 0 HZ2 TRP A 160 -2.621 -0.941 1.929 1.00 0.00 H new ATOM 0 HZ3 TRP A 160 0.400 0.261 -0.857 1.00 0.00 H new ATOM 0 HH2 TRP A 160 -0.622 0.464 1.344 1.00 0.00 H new ATOM 457 N ARG A 161 -0.692 -5.432 -1.452 1.00 0.00 N ATOM 458 CA ARG A 161 0.149 -5.548 -0.272 1.00 0.00 C ATOM 459 C ARG A 161 1.566 -5.964 -0.670 1.00 0.00 C ATOM 460 O ARG A 161 2.434 -5.115 -0.867 1.00 0.00 O ATOM 461 CB ARG A 161 -0.420 -6.573 0.711 1.00 0.00 C ATOM 462 CG ARG A 161 0.256 -6.454 2.078 1.00 0.00 C ATOM 463 CD ARG A 161 1.114 -7.685 2.376 1.00 0.00 C ATOM 464 NE ARG A 161 1.310 -7.826 3.836 1.00 0.00 N ATOM 465 CZ ARG A 161 1.989 -8.828 4.410 1.00 0.00 C ATOM 466 NH1 ARG A 161 2.543 -9.783 3.651 1.00 0.00 N ATOM 467 NH2 ARG A 161 2.116 -8.875 5.743 1.00 0.00 N ATOM 0 H ARG A 161 -1.469 -6.091 -1.488 1.00 0.00 H new ATOM 0 HA ARG A 161 0.176 -4.573 0.214 1.00 0.00 H new ATOM 0 HB2 ARG A 161 -1.494 -6.422 0.818 1.00 0.00 H new ATOM 0 HB3 ARG A 161 -0.277 -7.579 0.317 1.00 0.00 H new ATOM 0 HG2 ARG A 161 0.877 -5.559 2.103 1.00 0.00 H new ATOM 0 HG3 ARG A 161 -0.502 -6.338 2.853 1.00 0.00 H new ATOM 0 HD2 ARG A 161 0.633 -8.578 1.978 1.00 0.00 H new ATOM 0 HD3 ARG A 161 2.080 -7.594 1.879 1.00 0.00 H new ATOM 0 HE ARG A 161 0.902 -7.115 4.444 1.00 0.00 H new ATOM 0 HH11 ARG A 161 2.448 -9.747 2.636 1.00 0.00 H new ATOM 0 HH12 ARG A 161 3.060 -10.546 4.088 1.00 0.00 H new ATOM 0 HH21 ARG A 161 1.696 -8.148 6.321 1.00 0.00 H new ATOM 0 HH22 ARG A 161 2.633 -9.638 6.179 1.00 0.00 H new ATOM 478 N LYS A 162 1.757 -7.271 -0.776 1.00 0.00 N ATOM 479 CA LYS A 162 3.055 -7.810 -1.146 1.00 0.00 C ATOM 480 C LYS A 162 3.802 -6.786 -2.003 1.00 0.00 C ATOM 481 O LYS A 162 5.006 -6.595 -1.839 1.00 0.00 O ATOM 482 CB LYS A 162 2.895 -9.175 -1.819 1.00 0.00 C ATOM 483 CG LYS A 162 4.259 -9.792 -2.137 1.00 0.00 C ATOM 484 CD LYS A 162 4.724 -9.400 -3.540 1.00 0.00 C ATOM 485 CE LYS A 162 6.023 -10.119 -3.908 1.00 0.00 C ATOM 486 NZ LYS A 162 5.875 -10.832 -5.198 1.00 0.00 N ATOM 0 H LYS A 162 1.035 -7.972 -0.612 1.00 0.00 H new ATOM 0 HA LYS A 162 3.662 -7.986 -0.258 1.00 0.00 H new ATOM 0 HB2 LYS A 162 2.333 -9.843 -1.166 1.00 0.00 H new ATOM 0 HB3 LYS A 162 2.318 -9.066 -2.737 1.00 0.00 H new ATOM 0 HG2 LYS A 162 4.992 -9.461 -1.401 1.00 0.00 H new ATOM 0 HG3 LYS A 162 4.198 -10.878 -2.060 1.00 0.00 H new ATOM 0 HD2 LYS A 162 3.949 -9.647 -4.266 1.00 0.00 H new ATOM 0 HD3 LYS A 162 4.875 -8.322 -3.589 1.00 0.00 H new ATOM 0 HE2 LYS A 162 6.838 -9.398 -3.976 1.00 0.00 H new ATOM 0 HE3 LYS A 162 6.288 -10.827 -3.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 162 6.766 -11.314 -5.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 162 5.111 -11.534 -5.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 162 5.644 -10.149 -5.948 1.00 0.00 H new ATOM 496 N ASN A 163 3.056 -6.155 -2.899 1.00 0.00 N ATOM 497 CA ASN A 163 3.634 -5.155 -3.781 1.00 0.00 C ATOM 498 C ASN A 163 4.380 -4.114 -2.946 1.00 0.00 C ATOM 499 O ASN A 163 5.609 -4.086 -2.935 1.00 0.00 O ATOM 500 CB ASN A 163 2.547 -4.432 -4.578 1.00 0.00 C ATOM 501 CG ASN A 163 2.359 -5.071 -5.956 1.00 0.00 C ATOM 502 OD1 ASN A 163 1.360 -5.712 -6.240 1.00 0.00 O ATOM 503 ND2 ASN A 163 3.373 -4.863 -6.792 1.00 0.00 N ATOM 0 H ASN A 163 2.058 -6.317 -3.033 1.00 0.00 H new ATOM 0 HA ASN A 163 4.310 -5.662 -4.470 1.00 0.00 H new ATOM 0 HB2 ASN A 163 1.607 -4.463 -4.028 1.00 0.00 H new ATOM 0 HB3 ASN A 163 2.814 -3.382 -4.694 1.00 0.00 H new ATOM 0 HD21 ASN A 163 3.344 -5.250 -7.735 1.00 0.00 H new ATOM 0 HD22 ASN A 163 4.180 -4.317 -6.490 1.00 0.00 H new ATOM 509 N ILE A 164 3.605 -3.281 -2.266 1.00 0.00 N ATOM 510 CA ILE A 164 4.177 -2.240 -1.429 1.00 0.00 C ATOM 511 C ILE A 164 4.771 -2.873 -0.169 1.00 0.00 C ATOM 512 O ILE A 164 5.858 -2.495 0.266 1.00 0.00 O ATOM 513 CB ILE A 164 3.139 -1.154 -1.141 1.00 0.00 C ATOM 514 CG1 ILE A 164 2.512 -1.348 0.242 1.00 0.00 C ATOM 515 CG2 ILE A 164 2.083 -1.097 -2.247 1.00 0.00 C ATOM 516 CD1 ILE A 164 1.557 -2.543 0.248 1.00 0.00 C ATOM 0 H ILE A 164 2.585 -3.306 -2.278 1.00 0.00 H new ATOM 0 HA ILE A 164 4.993 -1.739 -1.949 1.00 0.00 H new ATOM 0 HB ILE A 164 3.647 -0.190 -1.132 1.00 0.00 H new ATOM 0 HG12 ILE A 164 3.297 -1.501 0.983 1.00 0.00 H new ATOM 0 HG13 ILE A 164 1.973 -0.446 0.531 1.00 0.00 H new ATOM 0 HG21 ILE A 164 1.357 -0.317 -2.017 1.00 0.00 H new ATOM 0 HG22 ILE A 164 2.565 -0.875 -3.199 1.00 0.00 H new ATOM 0 HG23 ILE A 164 1.573 -2.058 -2.313 1.00 0.00 H new ATOM 0 HD11 ILE A 164 1.125 -2.659 1.242 1.00 0.00 H new ATOM 0 HD12 ILE A 164 0.760 -2.375 -0.476 1.00 0.00 H new ATOM 0 HD13 ILE A 164 2.104 -3.447 -0.017 1.00 0.00 H new ATOM 527 N GLU A 165 4.033 -3.825 0.381 1.00 0.00 N ATOM 528 CA GLU A 165 4.472 -4.514 1.582 1.00 0.00 C ATOM 529 C GLU A 165 5.989 -4.717 1.551 1.00 0.00 C ATOM 530 O GLU A 165 6.672 -4.476 2.546 1.00 0.00 O ATOM 531 CB GLU A 165 3.743 -5.848 1.747 1.00 0.00 C ATOM 532 CG GLU A 165 3.743 -6.296 3.210 1.00 0.00 C ATOM 533 CD GLU A 165 5.108 -6.055 3.858 1.00 0.00 C ATOM 534 OE1 GLU A 165 6.054 -6.774 3.471 1.00 0.00 O ATOM 535 OE2 GLU A 165 5.174 -5.157 4.725 1.00 0.00 O ATOM 0 H GLU A 165 3.133 -4.136 0.017 1.00 0.00 H new ATOM 0 HA GLU A 165 4.225 -3.895 2.444 1.00 0.00 H new ATOM 0 HB2 GLU A 165 2.717 -5.752 1.392 1.00 0.00 H new ATOM 0 HB3 GLU A 165 4.223 -6.608 1.130 1.00 0.00 H new ATOM 0 HG2 GLU A 165 2.974 -5.753 3.760 1.00 0.00 H new ATOM 0 HG3 GLU A 165 3.490 -7.355 3.270 1.00 0.00 H new ATOM 540 N GLU A 166 6.472 -5.159 0.399 1.00 0.00 N ATOM 541 CA GLU A 166 7.894 -5.398 0.227 1.00 0.00 C ATOM 542 C GLU A 166 8.598 -4.113 -0.215 1.00 0.00 C ATOM 543 O GLU A 166 9.598 -3.714 0.380 1.00 0.00 O ATOM 544 CB GLU A 166 8.143 -6.531 -0.772 1.00 0.00 C ATOM 545 CG GLU A 166 7.981 -7.897 -0.102 1.00 0.00 C ATOM 546 CD GLU A 166 9.342 -8.555 0.137 1.00 0.00 C ATOM 547 OE1 GLU A 166 10.237 -8.329 -0.705 1.00 0.00 O ATOM 548 OE2 GLU A 166 9.455 -9.269 1.158 1.00 0.00 O ATOM 0 H GLU A 166 5.903 -5.358 -0.424 1.00 0.00 H new ATOM 0 HA GLU A 166 8.310 -5.706 1.186 1.00 0.00 H new ATOM 0 HB2 GLU A 166 7.446 -6.446 -1.606 1.00 0.00 H new ATOM 0 HB3 GLU A 166 9.147 -6.442 -1.186 1.00 0.00 H new ATOM 0 HG2 GLU A 166 7.457 -7.781 0.847 1.00 0.00 H new ATOM 0 HG3 GLU A 166 7.366 -8.543 -0.729 1.00 0.00 H new ATOM 553 N LYS A 167 8.048 -3.503 -1.255 1.00 0.00 N ATOM 554 CA LYS A 167 8.612 -2.272 -1.783 1.00 0.00 C ATOM 555 C LYS A 167 7.806 -1.082 -1.258 1.00 0.00 C ATOM 556 O LYS A 167 7.155 -0.379 -2.031 1.00 0.00 O ATOM 557 CB LYS A 167 8.695 -2.333 -3.310 1.00 0.00 C ATOM 558 CG LYS A 167 7.300 -2.335 -3.936 1.00 0.00 C ATOM 559 CD LYS A 167 7.191 -1.276 -5.035 1.00 0.00 C ATOM 560 CE LYS A 167 8.133 -1.594 -6.197 1.00 0.00 C ATOM 561 NZ LYS A 167 7.508 -2.567 -7.121 1.00 0.00 N ATOM 0 H LYS A 167 7.219 -3.838 -1.746 1.00 0.00 H new ATOM 0 HA LYS A 167 9.637 -2.142 -1.436 1.00 0.00 H new ATOM 0 HB2 LYS A 167 9.263 -1.480 -3.681 1.00 0.00 H new ATOM 0 HB3 LYS A 167 9.234 -3.231 -3.613 1.00 0.00 H new ATOM 0 HG2 LYS A 167 7.086 -3.319 -4.352 1.00 0.00 H new ATOM 0 HG3 LYS A 167 6.552 -2.144 -3.167 1.00 0.00 H new ATOM 0 HD2 LYS A 167 6.164 -1.227 -5.397 1.00 0.00 H new ATOM 0 HD3 LYS A 167 7.431 -0.295 -4.625 1.00 0.00 H new ATOM 0 HE2 LYS A 167 8.378 -0.678 -6.735 1.00 0.00 H new ATOM 0 HE3 LYS A 167 9.070 -1.998 -5.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 167 8.161 -2.771 -7.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 167 7.297 -3.447 -6.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 167 6.626 -2.168 -7.501 1.00 0.00 H new ATOM 571 N SER A 168 7.874 -0.891 0.051 1.00 0.00 N ATOM 572 CA SER A 168 7.160 0.202 0.687 1.00 0.00 C ATOM 573 C SER A 168 7.476 0.232 2.184 1.00 0.00 C ATOM 574 O SER A 168 6.610 0.549 2.998 1.00 0.00 O ATOM 575 CB SER A 168 5.651 0.075 0.466 1.00 0.00 C ATOM 576 OG SER A 168 5.011 1.347 0.415 1.00 0.00 O ATOM 0 H SER A 168 8.414 -1.476 0.689 1.00 0.00 H new ATOM 0 HA SER A 168 7.490 1.137 0.234 1.00 0.00 H new ATOM 0 HB2 SER A 168 5.465 -0.462 -0.464 1.00 0.00 H new ATOM 0 HB3 SER A 168 5.215 -0.518 1.270 1.00 0.00 H new ATOM 0 HG SER A 168 5.267 1.809 -0.410 1.00 0.00 H new ATOM 581 N GLY A 169 8.718 -0.100 2.501 1.00 0.00 N ATOM 582 CA GLY A 169 9.160 -0.114 3.885 1.00 0.00 C ATOM 583 C GLY A 169 10.424 -0.960 4.048 1.00 0.00 C ATOM 584 O GLY A 169 11.434 -0.481 4.564 1.00 0.00 O ATOM 0 H GLY A 169 9.433 -0.362 1.823 1.00 0.00 H new ATOM 0 HA2 GLY A 169 9.355 0.905 4.219 1.00 0.00 H new ATOM 0 HA3 GLY A 169 8.368 -0.511 4.520 1.00 0.00 H new