USER MOD reduce.3.24.130724 H: found=0, std=0, add=304, rem=0, adj=4 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 : amide:sc= -1.71 K(o=-1.7,f=-0.27) USER MOD Single : A 134 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 139 ASN : amide:sc= -1.72! C(o=-1.7!,f=-4.7!) USER MOD Single : A 142 GLN : amide:sc= -0.973 K(o=-0.97,f=-1.7!) USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 LYS NZ :NH3+ -165:sc= -0.0133 (180deg=-0.522) USER MOD Single : A 148 THR OG1 : rot 58:sc= 0.631 USER MOD Single : A 150 LYS NZ :NH3+ 178:sc= 0.947 (180deg=0.918) 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 K(o=0,f=-0.61) USER MOD Single : A 167 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 168 SER OG : rot -57:sc= 0.853! USER MOD ----------------------------------------------------------------- ATOM 19 N VAL A 132 -20.612 -8.299 8.133 1.00 0.00 N ATOM 20 CA VAL A 132 -20.938 -6.955 7.684 1.00 0.00 C ATOM 21 C VAL A 132 -19.940 -5.965 8.287 1.00 0.00 C ATOM 22 O VAL A 132 -19.175 -5.330 7.562 1.00 0.00 O ATOM 23 CB VAL A 132 -22.390 -6.627 8.032 1.00 0.00 C ATOM 24 CG1 VAL A 132 -22.706 -5.159 7.736 1.00 0.00 C ATOM 25 CG2 VAL A 132 -23.355 -7.554 7.289 1.00 0.00 C ATOM 0 HA VAL A 132 -20.853 -6.882 6.600 1.00 0.00 H new ATOM 0 HB VAL A 132 -22.523 -6.791 9.101 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -23.745 -4.952 7.992 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -22.052 -4.519 8.328 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -22.547 -4.959 6.676 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -24.381 -7.299 7.554 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -23.218 -7.436 6.214 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -23.154 -8.588 7.569 1.00 0.00 H new ATOM 35 N ASN A 133 -19.978 -5.866 9.608 1.00 0.00 N ATOM 36 CA ASN A 133 -19.087 -4.963 10.317 1.00 0.00 C ATOM 37 C ASN A 133 -17.720 -4.957 9.628 1.00 0.00 C ATOM 38 O ASN A 133 -17.035 -3.936 9.609 1.00 0.00 O ATOM 39 CB ASN A 133 -18.884 -5.413 11.765 1.00 0.00 C ATOM 40 CG ASN A 133 -19.217 -6.898 11.930 1.00 0.00 C ATOM 41 OD1 ASN A 133 -20.205 -7.275 12.538 1.00 0.00 O ATOM 42 ND2 ASN A 133 -18.339 -7.716 11.354 1.00 0.00 N ATOM 0 H ASN A 133 -20.612 -6.396 10.206 1.00 0.00 H new ATOM 0 HA ASN A 133 -19.536 -3.970 10.308 1.00 0.00 H new ATOM 0 HB2 ASN A 133 -17.851 -5.233 12.064 1.00 0.00 H new ATOM 0 HB3 ASN A 133 -19.516 -4.819 12.426 1.00 0.00 H new ATOM 0 HD21 ASN A 133 -18.472 -8.726 11.406 1.00 0.00 H new ATOM 0 HD22 ASN A 133 -17.533 -7.333 10.860 1.00 0.00 H new ATOM 48 N MET A 134 -17.365 -6.110 9.080 1.00 0.00 N ATOM 49 CA MET A 134 -16.093 -6.251 8.393 1.00 0.00 C ATOM 50 C MET A 134 -16.123 -5.545 7.036 1.00 0.00 C ATOM 51 O MET A 134 -15.281 -4.691 6.759 1.00 0.00 O ATOM 52 CB MET A 134 -15.784 -7.736 8.188 1.00 0.00 C ATOM 53 CG MET A 134 -15.004 -8.302 9.376 1.00 0.00 C ATOM 54 SD MET A 134 -13.436 -7.461 9.532 1.00 0.00 S ATOM 55 CE MET A 134 -13.391 -7.217 11.300 1.00 0.00 C ATOM 0 H MET A 134 -17.936 -6.955 9.098 1.00 0.00 H new ATOM 0 HA MET A 134 -15.318 -5.791 9.006 1.00 0.00 H new ATOM 0 HB2 MET A 134 -16.714 -8.291 8.061 1.00 0.00 H new ATOM 0 HB3 MET A 134 -15.207 -7.868 7.273 1.00 0.00 H new ATOM 0 HG2 MET A 134 -15.583 -8.183 10.292 1.00 0.00 H new ATOM 0 HG3 MET A 134 -14.841 -9.371 9.239 1.00 0.00 H new ATOM 0 HE1 MET A 134 -12.471 -6.701 11.573 1.00 0.00 H new ATOM 0 HE2 MET A 134 -14.248 -6.617 11.606 1.00 0.00 H new ATOM 0 HE3 MET A 134 -13.427 -8.184 11.802 1.00 0.00 H new ATOM 63 N ASP A 135 -17.099 -5.927 6.226 1.00 0.00 N ATOM 64 CA ASP A 135 -17.248 -5.341 4.905 1.00 0.00 C ATOM 65 C ASP A 135 -17.172 -3.817 5.016 1.00 0.00 C ATOM 66 O ASP A 135 -16.698 -3.148 4.099 1.00 0.00 O ATOM 67 CB ASP A 135 -18.603 -5.702 4.292 1.00 0.00 C ATOM 68 CG ASP A 135 -18.538 -6.649 3.091 1.00 0.00 C ATOM 69 OD1 ASP A 135 -17.499 -6.614 2.398 1.00 0.00 O ATOM 70 OD2 ASP A 135 -19.529 -7.384 2.895 1.00 0.00 O ATOM 0 H ASP A 135 -17.795 -6.635 6.459 1.00 0.00 H new ATOM 0 HA ASP A 135 -16.450 -5.729 4.272 1.00 0.00 H new ATOM 0 HB2 ASP A 135 -19.223 -6.159 5.063 1.00 0.00 H new ATOM 0 HB3 ASP A 135 -19.102 -4.783 3.984 1.00 0.00 H new ATOM 74 N LEU A 136 -17.643 -3.314 6.147 1.00 0.00 N ATOM 75 CA LEU A 136 -17.634 -1.881 6.391 1.00 0.00 C ATOM 76 C LEU A 136 -16.208 -1.434 6.718 1.00 0.00 C ATOM 77 O LEU A 136 -15.694 -0.494 6.112 1.00 0.00 O ATOM 78 CB LEU A 136 -18.657 -1.514 7.467 1.00 0.00 C ATOM 79 CG LEU A 136 -18.844 -0.019 7.731 1.00 0.00 C ATOM 80 CD1 LEU A 136 -20.163 0.482 7.141 1.00 0.00 C ATOM 81 CD2 LEU A 136 -18.730 0.293 9.225 1.00 0.00 C ATOM 0 H LEU A 136 -18.034 -3.873 6.905 1.00 0.00 H new ATOM 0 HA LEU A 136 -17.941 -1.339 5.496 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -19.621 -1.936 7.183 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -18.361 -1.994 8.400 1.00 0.00 H new ATOM 0 HG LEU A 136 -18.041 0.519 7.227 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -20.271 1.548 7.343 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -20.167 0.315 6.064 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -20.993 -0.059 7.595 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -18.867 1.363 9.385 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -19.497 -0.257 9.771 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -17.745 -0.004 9.585 1.00 0.00 H new ATOM 92 N ARG A 137 -15.609 -2.126 7.676 1.00 0.00 N ATOM 93 CA ARG A 137 -14.253 -1.811 8.091 1.00 0.00 C ATOM 94 C ARG A 137 -13.364 -1.578 6.868 1.00 0.00 C ATOM 95 O ARG A 137 -12.762 -0.514 6.728 1.00 0.00 O ATOM 96 CB ARG A 137 -13.660 -2.941 8.935 1.00 0.00 C ATOM 97 CG ARG A 137 -14.498 -3.184 10.192 1.00 0.00 C ATOM 98 CD ARG A 137 -13.647 -3.040 11.455 1.00 0.00 C ATOM 99 NE ARG A 137 -14.324 -2.149 12.423 1.00 0.00 N ATOM 100 CZ ARG A 137 -15.544 -2.376 12.928 1.00 0.00 C ATOM 101 NH1 ARG A 137 -16.229 -3.468 12.560 1.00 0.00 N ATOM 102 NH2 ARG A 137 -16.081 -1.513 13.801 1.00 0.00 N ATOM 0 H ARG A 137 -16.038 -2.904 8.177 1.00 0.00 H new ATOM 0 HA ARG A 137 -14.293 -0.904 8.694 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -13.612 -3.855 8.343 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -12.638 -2.690 9.218 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -15.326 -2.475 10.224 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -14.934 -4.182 10.155 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -13.480 -4.019 11.904 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -12.668 -2.636 11.199 1.00 0.00 H new ATOM 0 HE ARG A 137 -13.831 -1.309 12.725 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -15.821 -4.126 11.896 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -17.158 -3.641 12.944 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -15.561 -0.682 14.082 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -17.010 -1.687 14.185 1.00 0.00 H new ATOM 113 N ALA A 138 -13.310 -2.589 6.014 1.00 0.00 N ATOM 114 CA ALA A 138 -12.504 -2.507 4.807 1.00 0.00 C ATOM 115 C ALA A 138 -13.054 -1.399 3.906 1.00 0.00 C ATOM 116 O ALA A 138 -12.307 -0.529 3.461 1.00 0.00 O ATOM 117 CB ALA A 138 -12.488 -3.869 4.110 1.00 0.00 C ATOM 0 H ALA A 138 -13.811 -3.469 6.133 1.00 0.00 H new ATOM 0 HA ALA A 138 -11.473 -2.253 5.051 1.00 0.00 H new ATOM 0 HB1 ALA A 138 -11.884 -3.807 3.205 1.00 0.00 H new ATOM 0 HB2 ALA A 138 -12.063 -4.616 4.780 1.00 0.00 H new ATOM 0 HB3 ALA A 138 -13.506 -4.155 3.847 1.00 0.00 H new ATOM 123 N ASN A 139 -14.355 -1.466 3.666 1.00 0.00 N ATOM 124 CA ASN A 139 -15.014 -0.479 2.827 1.00 0.00 C ATOM 125 C ASN A 139 -14.429 0.904 3.120 1.00 0.00 C ATOM 126 O ASN A 139 -13.940 1.580 2.216 1.00 0.00 O ATOM 127 CB ASN A 139 -16.516 -0.428 3.111 1.00 0.00 C ATOM 128 CG ASN A 139 -17.186 0.695 2.318 1.00 0.00 C ATOM 129 OD1 ASN A 139 -16.541 1.577 1.775 1.00 0.00 O ATOM 130 ND2 ASN A 139 -18.513 0.614 2.282 1.00 0.00 N ATOM 0 H ASN A 139 -14.971 -2.189 4.038 1.00 0.00 H new ATOM 0 HA ASN A 139 -14.855 -0.761 1.786 1.00 0.00 H new ATOM 0 HB2 ASN A 139 -16.972 -1.383 2.851 1.00 0.00 H new ATOM 0 HB3 ASN A 139 -16.683 -0.275 4.177 1.00 0.00 H new ATOM 0 HD21 ASN A 139 -19.053 1.317 1.778 1.00 0.00 H new ATOM 0 HD22 ASN A 139 -18.990 -0.151 2.759 1.00 0.00 H new ATOM 136 N LEU A 140 -14.500 1.284 4.387 1.00 0.00 N ATOM 137 CA LEU A 140 -13.983 2.575 4.812 1.00 0.00 C ATOM 138 C LEU A 140 -12.456 2.564 4.719 1.00 0.00 C ATOM 139 O LEU A 140 -11.873 3.304 3.928 1.00 0.00 O ATOM 140 CB LEU A 140 -14.513 2.933 6.202 1.00 0.00 C ATOM 141 CG LEU A 140 -15.426 4.158 6.276 1.00 0.00 C ATOM 142 CD1 LEU A 140 -16.885 3.769 6.034 1.00 0.00 C ATOM 143 CD2 LEU A 140 -15.243 4.899 7.602 1.00 0.00 C ATOM 0 H LEU A 140 -14.908 0.721 5.134 1.00 0.00 H new ATOM 0 HA LEU A 140 -14.337 3.364 4.149 1.00 0.00 H new ATOM 0 HB2 LEU A 140 -15.058 2.074 6.594 1.00 0.00 H new ATOM 0 HB3 LEU A 140 -13.662 3.098 6.862 1.00 0.00 H new ATOM 0 HG LEU A 140 -15.140 4.846 5.481 1.00 0.00 H new ATOM 0 HD11 LEU A 140 -17.513 4.658 6.092 1.00 0.00 H new ATOM 0 HD12 LEU A 140 -16.983 3.320 5.046 1.00 0.00 H new ATOM 0 HD13 LEU A 140 -17.201 3.052 6.792 1.00 0.00 H new ATOM 0 HD21 LEU A 140 -15.904 5.766 7.629 1.00 0.00 H new ATOM 0 HD22 LEU A 140 -15.487 4.231 8.428 1.00 0.00 H new ATOM 0 HD23 LEU A 140 -14.208 5.229 7.695 1.00 0.00 H new ATOM 172 N GLN A 142 -9.509 0.092 3.905 1.00 0.00 N ATOM 173 CA GLN A 142 -9.005 -0.301 2.600 1.00 0.00 C ATOM 174 C GLN A 142 -7.599 0.261 2.383 1.00 0.00 C ATOM 175 O GLN A 142 -7.184 1.191 3.073 1.00 0.00 O ATOM 176 CB GLN A 142 -9.954 0.149 1.487 1.00 0.00 C ATOM 177 CG GLN A 142 -10.627 -1.052 0.821 1.00 0.00 C ATOM 178 CD GLN A 142 -10.234 -1.152 -0.654 1.00 0.00 C ATOM 179 OE1 GLN A 142 -9.941 -2.216 -1.175 1.00 0.00 O ATOM 180 NE2 GLN A 142 -10.243 0.013 -1.297 1.00 0.00 N ATOM 0 HA GLN A 142 -8.949 -1.389 2.566 1.00 0.00 H new ATOM 0 HB2 GLN A 142 -10.713 0.814 1.899 1.00 0.00 H new ATOM 0 HB3 GLN A 142 -9.401 0.720 0.741 1.00 0.00 H new ATOM 0 HG2 GLN A 142 -10.342 -1.967 1.340 1.00 0.00 H new ATOM 0 HG3 GLN A 142 -11.710 -0.961 0.907 1.00 0.00 H new ATOM 0 HE21 GLN A 142 -10.498 0.867 -0.801 1.00 0.00 H new ATOM 0 HE22 GLN A 142 -9.995 0.052 -2.286 1.00 0.00 H new ATOM 187 N VAL A 143 -6.903 -0.328 1.421 1.00 0.00 N ATOM 188 CA VAL A 143 -5.552 0.103 1.104 1.00 0.00 C ATOM 189 C VAL A 143 -5.478 1.629 1.174 1.00 0.00 C ATOM 190 O VAL A 143 -6.091 2.323 0.364 1.00 0.00 O ATOM 191 CB VAL A 143 -5.131 -0.454 -0.258 1.00 0.00 C ATOM 192 CG1 VAL A 143 -6.343 -0.633 -1.175 1.00 0.00 C ATOM 193 CG2 VAL A 143 -4.074 0.438 -0.912 1.00 0.00 C ATOM 0 H VAL A 143 -7.249 -1.100 0.851 1.00 0.00 H new ATOM 0 HA VAL A 143 -4.845 -0.290 1.834 1.00 0.00 H new ATOM 0 HB VAL A 143 -4.686 -1.436 -0.096 1.00 0.00 H new ATOM 0 HG11 VAL A 143 -6.017 -1.030 -2.136 1.00 0.00 H new ATOM 0 HG12 VAL A 143 -7.047 -1.327 -0.716 1.00 0.00 H new ATOM 0 HG13 VAL A 143 -6.830 0.330 -1.327 1.00 0.00 H new ATOM 0 HG21 VAL A 143 -3.792 0.020 -1.878 1.00 0.00 H new ATOM 0 HG22 VAL A 143 -4.481 1.439 -1.055 1.00 0.00 H new ATOM 0 HG23 VAL A 143 -3.195 0.491 -0.270 1.00 0.00 H new ATOM 203 N LYS A 144 -4.721 2.109 2.151 1.00 0.00 N ATOM 204 CA LYS A 144 -4.559 3.541 2.337 1.00 0.00 C ATOM 205 C LYS A 144 -3.098 3.844 2.676 1.00 0.00 C ATOM 206 O LYS A 144 -2.574 3.355 3.674 1.00 0.00 O ATOM 207 CB LYS A 144 -5.551 4.062 3.379 1.00 0.00 C ATOM 208 CG LYS A 144 -5.342 3.372 4.728 1.00 0.00 C ATOM 209 CD LYS A 144 -6.219 4.007 5.810 1.00 0.00 C ATOM 210 CE LYS A 144 -5.570 5.275 6.367 1.00 0.00 C ATOM 211 NZ LYS A 144 -5.574 5.252 7.847 1.00 0.00 N ATOM 0 H LYS A 144 -4.214 1.532 2.821 1.00 0.00 H new ATOM 0 HA LYS A 144 -4.791 4.073 1.415 1.00 0.00 H new ATOM 0 HB2 LYS A 144 -5.430 5.139 3.495 1.00 0.00 H new ATOM 0 HB3 LYS A 144 -6.570 3.891 3.033 1.00 0.00 H new ATOM 0 HG2 LYS A 144 -5.579 2.312 4.639 1.00 0.00 H new ATOM 0 HG3 LYS A 144 -4.293 3.441 5.018 1.00 0.00 H new ATOM 0 HD2 LYS A 144 -7.198 4.247 5.395 1.00 0.00 H new ATOM 0 HD3 LYS A 144 -6.382 3.293 6.617 1.00 0.00 H new ATOM 0 HE2 LYS A 144 -4.546 5.357 6.001 1.00 0.00 H new ATOM 0 HE3 LYS A 144 -6.108 6.153 6.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 -5.130 6.120 8.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 -6.554 5.195 8.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 -5.041 4.424 8.183 1.00 0.00 H new ATOM 221 N LYS A 145 -2.482 4.650 1.823 1.00 0.00 N ATOM 222 CA LYS A 145 -1.091 5.024 2.019 1.00 0.00 C ATOM 223 C LYS A 145 -0.869 6.440 1.481 1.00 0.00 C ATOM 224 O LYS A 145 -1.674 6.945 0.702 1.00 0.00 O ATOM 225 CB LYS A 145 -0.162 3.978 1.400 1.00 0.00 C ATOM 226 CG LYS A 145 -0.402 3.854 -0.106 1.00 0.00 C ATOM 227 CD LYS A 145 0.750 3.110 -0.785 1.00 0.00 C ATOM 228 CE LYS A 145 0.609 3.153 -2.308 1.00 0.00 C ATOM 229 NZ LYS A 145 -0.815 3.058 -2.698 1.00 0.00 N ATOM 0 H LYS A 145 -2.920 5.054 0.995 1.00 0.00 H new ATOM 0 HA LYS A 145 -0.847 5.043 3.081 1.00 0.00 H new ATOM 0 HB2 LYS A 145 0.876 4.254 1.585 1.00 0.00 H new ATOM 0 HB3 LYS A 145 -0.326 3.012 1.879 1.00 0.00 H new ATOM 0 HG2 LYS A 145 -1.338 3.325 -0.286 1.00 0.00 H new ATOM 0 HG3 LYS A 145 -0.507 4.847 -0.544 1.00 0.00 H new ATOM 0 HD2 LYS A 145 1.700 3.557 -0.491 1.00 0.00 H new ATOM 0 HD3 LYS A 145 0.768 2.074 -0.447 1.00 0.00 H new ATOM 0 HE2 LYS A 145 1.037 4.079 -2.693 1.00 0.00 H new ATOM 0 HE3 LYS A 145 1.170 2.332 -2.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 145 -0.883 2.834 -3.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 145 -1.277 2.308 -2.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 145 -1.287 3.966 -2.512 1.00 0.00 H new ATOM 239 N GLU A 146 0.230 7.038 1.919 1.00 0.00 N ATOM 240 CA GLU A 146 0.569 8.385 1.491 1.00 0.00 C ATOM 241 C GLU A 146 2.039 8.455 1.075 1.00 0.00 C ATOM 242 O GLU A 146 2.508 9.492 0.610 1.00 0.00 O ATOM 243 CB GLU A 146 0.261 9.403 2.590 1.00 0.00 C ATOM 244 CG GLU A 146 -1.092 10.075 2.352 1.00 0.00 C ATOM 245 CD GLU A 146 -0.917 11.554 2.004 1.00 0.00 C ATOM 246 OE1 GLU A 146 0.071 11.859 1.301 1.00 0.00 O ATOM 247 OE2 GLU A 146 -1.773 12.348 2.450 1.00 0.00 O ATOM 0 H GLU A 146 0.896 6.615 2.565 1.00 0.00 H new ATOM 0 HA GLU A 146 -0.045 8.636 0.626 1.00 0.00 H new ATOM 0 HB2 GLU A 146 0.259 8.906 3.560 1.00 0.00 H new ATOM 0 HB3 GLU A 146 1.046 10.159 2.621 1.00 0.00 H new ATOM 0 HG2 GLU A 146 -1.617 9.567 1.543 1.00 0.00 H new ATOM 0 HG3 GLU A 146 -1.712 9.979 3.244 1.00 0.00 H new ATOM 252 N ASP A 147 2.727 7.337 1.257 1.00 0.00 N ATOM 253 CA ASP A 147 4.135 7.259 0.906 1.00 0.00 C ATOM 254 C ASP A 147 4.589 5.798 0.961 1.00 0.00 C ATOM 255 O ASP A 147 4.265 5.079 1.904 1.00 0.00 O ATOM 256 CB ASP A 147 4.993 8.058 1.889 1.00 0.00 C ATOM 257 CG ASP A 147 4.414 9.414 2.299 1.00 0.00 C ATOM 258 OD1 ASP A 147 3.663 9.432 3.297 1.00 0.00 O ATOM 259 OD2 ASP A 147 4.736 10.401 1.603 1.00 0.00 O ATOM 0 H ASP A 147 2.335 6.478 1.643 1.00 0.00 H new ATOM 0 HA ASP A 147 4.256 7.671 -0.096 1.00 0.00 H new ATOM 0 HB2 ASP A 147 5.144 7.458 2.786 1.00 0.00 H new ATOM 0 HB3 ASP A 147 5.975 8.219 1.444 1.00 0.00 H new ATOM 263 N THR A 148 5.332 5.404 -0.062 1.00 0.00 N ATOM 264 CA THR A 148 5.834 4.043 -0.143 1.00 0.00 C ATOM 265 C THR A 148 6.211 3.530 1.249 1.00 0.00 C ATOM 266 O THR A 148 5.861 2.410 1.617 1.00 0.00 O ATOM 267 CB THR A 148 7.001 4.027 -1.132 1.00 0.00 C ATOM 268 OG1 THR A 148 7.769 2.891 -0.744 1.00 0.00 O ATOM 269 CG2 THR A 148 7.954 5.207 -0.933 1.00 0.00 C ATOM 0 H THR A 148 5.599 6.004 -0.843 1.00 0.00 H new ATOM 0 HA THR A 148 5.068 3.361 -0.511 1.00 0.00 H new ATOM 0 HB THR A 148 6.613 4.042 -2.151 1.00 0.00 H new ATOM 0 HG1 THR A 148 7.207 2.089 -0.779 1.00 0.00 H new ATOM 0 HG21 THR A 148 8.764 5.147 -1.660 1.00 0.00 H new ATOM 0 HG22 THR A 148 7.410 6.141 -1.071 1.00 0.00 H new ATOM 0 HG23 THR A 148 8.368 5.174 0.075 1.00 0.00 H new ATOM 277 N GLU A 149 6.919 4.375 1.984 1.00 0.00 N ATOM 278 CA GLU A 149 7.346 4.022 3.327 1.00 0.00 C ATOM 279 C GLU A 149 6.159 4.068 4.291 1.00 0.00 C ATOM 280 O GLU A 149 6.061 3.244 5.200 1.00 0.00 O ATOM 281 CB GLU A 149 8.475 4.939 3.802 1.00 0.00 C ATOM 282 CG GLU A 149 8.165 6.403 3.479 1.00 0.00 C ATOM 283 CD GLU A 149 8.902 7.343 4.434 1.00 0.00 C ATOM 284 OE1 GLU A 149 8.831 7.081 5.655 1.00 0.00 O ATOM 285 OE2 GLU A 149 9.519 8.302 3.923 1.00 0.00 O ATOM 0 H GLU A 149 7.208 5.303 1.675 1.00 0.00 H new ATOM 0 HA GLU A 149 7.734 3.003 3.308 1.00 0.00 H new ATOM 0 HB2 GLU A 149 8.616 4.822 4.876 1.00 0.00 H new ATOM 0 HB3 GLU A 149 9.410 4.648 3.324 1.00 0.00 H new ATOM 0 HG2 GLU A 149 8.456 6.622 2.451 1.00 0.00 H new ATOM 0 HG3 GLU A 149 7.091 6.575 3.550 1.00 0.00 H new ATOM 290 N LYS A 150 5.288 5.039 4.062 1.00 0.00 N ATOM 291 CA LYS A 150 4.112 5.203 4.899 1.00 0.00 C ATOM 292 C LYS A 150 2.885 4.668 4.159 1.00 0.00 C ATOM 293 O LYS A 150 2.349 5.335 3.274 1.00 0.00 O ATOM 294 CB LYS A 150 3.972 6.659 5.348 1.00 0.00 C ATOM 295 CG LYS A 150 4.773 6.919 6.626 1.00 0.00 C ATOM 296 CD LYS A 150 6.263 7.077 6.317 1.00 0.00 C ATOM 297 CE LYS A 150 6.616 8.542 6.054 1.00 0.00 C ATOM 298 NZ LYS A 150 7.753 8.962 6.904 1.00 0.00 N ATOM 0 H LYS A 150 5.373 5.721 3.308 1.00 0.00 H new ATOM 0 HA LYS A 150 4.213 4.619 5.814 1.00 0.00 H new ATOM 0 HB2 LYS A 150 4.319 7.322 4.556 1.00 0.00 H new ATOM 0 HB3 LYS A 150 2.921 6.891 5.520 1.00 0.00 H new ATOM 0 HG2 LYS A 150 4.402 7.820 7.115 1.00 0.00 H new ATOM 0 HG3 LYS A 150 4.628 6.095 7.324 1.00 0.00 H new ATOM 0 HD2 LYS A 150 6.853 6.701 7.153 1.00 0.00 H new ATOM 0 HD3 LYS A 150 6.523 6.475 5.447 1.00 0.00 H new ATOM 0 HE2 LYS A 150 6.870 8.678 5.003 1.00 0.00 H new ATOM 0 HE3 LYS A 150 5.750 9.173 6.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 8.002 9.949 6.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 7.485 8.883 7.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 8.572 8.350 6.715 1.00 0.00 H new ATOM 308 N GLU A 151 2.476 3.469 4.546 1.00 0.00 N ATOM 309 CA GLU A 151 1.323 2.836 3.929 1.00 0.00 C ATOM 310 C GLU A 151 0.506 2.082 4.980 1.00 0.00 C ATOM 311 O GLU A 151 0.995 1.815 6.077 1.00 0.00 O ATOM 312 CB GLU A 151 1.750 1.904 2.794 1.00 0.00 C ATOM 313 CG GLU A 151 3.167 1.373 3.024 1.00 0.00 C ATOM 314 CD GLU A 151 3.311 0.786 4.429 1.00 0.00 C ATOM 315 OE1 GLU A 151 2.762 -0.317 4.643 1.00 0.00 O ATOM 316 OE2 GLU A 151 3.967 1.452 5.259 1.00 0.00 O ATOM 0 H GLU A 151 2.923 2.919 5.280 1.00 0.00 H new ATOM 0 HA GLU A 151 0.694 3.614 3.497 1.00 0.00 H new ATOM 0 HB2 GLU A 151 1.052 1.070 2.722 1.00 0.00 H new ATOM 0 HB3 GLU A 151 1.708 2.438 1.845 1.00 0.00 H new ATOM 0 HG2 GLU A 151 3.398 0.609 2.281 1.00 0.00 H new ATOM 0 HG3 GLU A 151 3.888 2.179 2.887 1.00 0.00 H new ATOM 321 N LYS A 152 -0.725 1.760 4.608 1.00 0.00 N ATOM 322 CA LYS A 152 -1.613 1.042 5.506 1.00 0.00 C ATOM 323 C LYS A 152 -2.263 -0.120 4.751 1.00 0.00 C ATOM 324 O LYS A 152 -3.120 0.093 3.896 1.00 0.00 O ATOM 325 CB LYS A 152 -2.622 2.002 6.142 1.00 0.00 C ATOM 326 CG LYS A 152 -2.551 1.937 7.669 1.00 0.00 C ATOM 327 CD LYS A 152 -1.481 2.888 8.210 1.00 0.00 C ATOM 328 CE LYS A 152 -0.370 2.115 8.922 1.00 0.00 C ATOM 329 NZ LYS A 152 -0.494 2.264 10.390 1.00 0.00 N ATOM 0 H LYS A 152 -1.127 1.983 3.698 1.00 0.00 H new ATOM 0 HA LYS A 152 -1.051 0.611 6.334 1.00 0.00 H new ATOM 0 HB2 LYS A 152 -2.422 3.020 5.808 1.00 0.00 H new ATOM 0 HB3 LYS A 152 -3.629 1.750 5.810 1.00 0.00 H new ATOM 0 HG2 LYS A 152 -3.521 2.197 8.093 1.00 0.00 H new ATOM 0 HG3 LYS A 152 -2.328 0.917 7.983 1.00 0.00 H new ATOM 0 HD2 LYS A 152 -1.057 3.468 7.390 1.00 0.00 H new ATOM 0 HD3 LYS A 152 -1.936 3.597 8.901 1.00 0.00 H new ATOM 0 HE2 LYS A 152 -0.422 1.060 8.652 1.00 0.00 H new ATOM 0 HE3 LYS A 152 0.603 2.480 8.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 152 0.268 1.733 10.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 152 -0.422 3.270 10.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 152 -1.415 1.894 10.700 1.00 0.00 H new ATOM 339 N ASP A 153 -1.829 -1.324 5.096 1.00 0.00 N ATOM 340 CA ASP A 153 -2.357 -2.519 4.462 1.00 0.00 C ATOM 341 C ASP A 153 -3.496 -3.082 5.314 1.00 0.00 C ATOM 342 O ASP A 153 -3.404 -3.109 6.540 1.00 0.00 O ATOM 343 CB ASP A 153 -1.280 -3.599 4.340 1.00 0.00 C ATOM 344 CG ASP A 153 -1.348 -4.703 5.396 1.00 0.00 C ATOM 345 OD1 ASP A 153 -2.401 -5.374 5.450 1.00 0.00 O ATOM 346 OD2 ASP A 153 -0.345 -4.852 6.127 1.00 0.00 O ATOM 0 H ASP A 153 -1.118 -1.497 5.806 1.00 0.00 H new ATOM 0 HA ASP A 153 -2.709 -2.246 3.467 1.00 0.00 H new ATOM 0 HB2 ASP A 153 -1.355 -4.056 3.353 1.00 0.00 H new ATOM 0 HB3 ASP A 153 -0.301 -3.123 4.397 1.00 0.00 H new ATOM 350 N LEU A 154 -4.544 -3.519 4.630 1.00 0.00 N ATOM 351 CA LEU A 154 -5.700 -4.080 5.310 1.00 0.00 C ATOM 352 C LEU A 154 -6.095 -5.394 4.633 1.00 0.00 C ATOM 353 O LEU A 154 -5.437 -5.834 3.692 1.00 0.00 O ATOM 354 CB LEU A 154 -6.834 -3.055 5.373 1.00 0.00 C ATOM 355 CG LEU A 154 -6.827 -1.980 4.284 1.00 0.00 C ATOM 356 CD1 LEU A 154 -5.839 -0.863 4.623 1.00 0.00 C ATOM 357 CD2 LEU A 154 -6.550 -2.593 2.910 1.00 0.00 C ATOM 0 H LEU A 154 -4.617 -3.496 3.613 1.00 0.00 H new ATOM 0 HA LEU A 154 -5.457 -4.315 6.346 1.00 0.00 H new ATOM 0 HB2 LEU A 154 -7.783 -3.589 5.323 1.00 0.00 H new ATOM 0 HB3 LEU A 154 -6.797 -2.561 6.344 1.00 0.00 H new ATOM 0 HG LEU A 154 -7.819 -1.530 4.242 1.00 0.00 H new ATOM 0 HD11 LEU A 154 -5.854 -0.112 3.833 1.00 0.00 H new ATOM 0 HD12 LEU A 154 -6.123 -0.401 5.568 1.00 0.00 H new ATOM 0 HD13 LEU A 154 -4.835 -1.279 4.710 1.00 0.00 H new ATOM 0 HD21 LEU A 154 -6.551 -1.807 2.154 1.00 0.00 H new ATOM 0 HD22 LEU A 154 -5.578 -3.086 2.921 1.00 0.00 H new ATOM 0 HD23 LEU A 154 -7.324 -3.323 2.675 1.00 0.00 H new ATOM 368 N ARG A 155 -7.168 -5.983 5.140 1.00 0.00 N ATOM 369 CA ARG A 155 -7.659 -7.239 4.596 1.00 0.00 C ATOM 370 C ARG A 155 -7.439 -7.284 3.082 1.00 0.00 C ATOM 371 O ARG A 155 -6.943 -8.277 2.553 1.00 0.00 O ATOM 372 CB ARG A 155 -9.149 -7.422 4.894 1.00 0.00 C ATOM 373 CG ARG A 155 -9.935 -6.153 4.561 1.00 0.00 C ATOM 374 CD ARG A 155 -10.504 -6.216 3.142 1.00 0.00 C ATOM 375 NE ARG A 155 -11.952 -6.518 3.192 1.00 0.00 N ATOM 376 CZ ARG A 155 -12.694 -6.821 2.117 1.00 0.00 C ATOM 377 NH1 ARG A 155 -12.128 -6.864 0.904 1.00 0.00 N ATOM 378 NH2 ARG A 155 -14.000 -7.082 2.257 1.00 0.00 N ATOM 0 H ARG A 155 -7.711 -5.615 5.921 1.00 0.00 H new ATOM 0 HA ARG A 155 -7.103 -8.047 5.071 1.00 0.00 H new ATOM 0 HB2 ARG A 155 -9.539 -8.258 4.314 1.00 0.00 H new ATOM 0 HB3 ARG A 155 -9.285 -7.673 5.946 1.00 0.00 H new ATOM 0 HG2 ARG A 155 -10.747 -6.026 5.277 1.00 0.00 H new ATOM 0 HG3 ARG A 155 -9.286 -5.283 4.658 1.00 0.00 H new ATOM 0 HD2 ARG A 155 -10.339 -5.267 2.632 1.00 0.00 H new ATOM 0 HD3 ARG A 155 -9.984 -6.981 2.566 1.00 0.00 H new ATOM 0 HE ARG A 155 -12.414 -6.494 4.101 1.00 0.00 H new ATOM 0 HH11 ARG A 155 -11.133 -6.666 0.798 1.00 0.00 H new ATOM 0 HH12 ARG A 155 -12.692 -7.094 0.086 1.00 0.00 H new ATOM 0 HH21 ARG A 155 -14.430 -7.050 3.181 1.00 0.00 H new ATOM 0 HH22 ARG A 155 -14.565 -7.312 1.439 1.00 0.00 H new ATOM 389 N ASP A 156 -7.818 -6.195 2.428 1.00 0.00 N ATOM 390 CA ASP A 156 -7.668 -6.098 0.986 1.00 0.00 C ATOM 391 C ASP A 156 -6.185 -5.952 0.641 1.00 0.00 C ATOM 392 O ASP A 156 -5.815 -5.112 -0.178 1.00 0.00 O ATOM 393 CB ASP A 156 -8.404 -4.875 0.437 1.00 0.00 C ATOM 394 CG ASP A 156 -8.818 -4.975 -1.033 1.00 0.00 C ATOM 395 OD1 ASP A 156 -7.905 -5.151 -1.868 1.00 0.00 O ATOM 396 OD2 ASP A 156 -10.038 -4.873 -1.287 1.00 0.00 O ATOM 0 H ASP A 156 -8.229 -5.373 2.870 1.00 0.00 H new ATOM 0 HA ASP A 156 -8.088 -7.001 0.542 1.00 0.00 H new ATOM 0 HB2 ASP A 156 -9.297 -4.706 1.039 1.00 0.00 H new ATOM 0 HB3 ASP A 156 -7.766 -4.000 0.560 1.00 0.00 H new ATOM 400 N VAL A 157 -5.376 -6.783 1.282 1.00 0.00 N ATOM 401 CA VAL A 157 -3.942 -6.757 1.052 1.00 0.00 C ATOM 402 C VAL A 157 -3.649 -7.227 -0.374 1.00 0.00 C ATOM 403 O VAL A 157 -3.381 -6.414 -1.256 1.00 0.00 O ATOM 404 CB VAL A 157 -3.226 -7.592 2.117 1.00 0.00 C ATOM 405 CG1 VAL A 157 -2.109 -8.432 1.493 1.00 0.00 C ATOM 406 CG2 VAL A 157 -2.684 -6.704 3.237 1.00 0.00 C ATOM 0 H VAL A 157 -5.687 -7.478 1.960 1.00 0.00 H new ATOM 0 HA VAL A 157 -3.559 -5.741 1.143 1.00 0.00 H new ATOM 0 HB VAL A 157 -3.955 -8.274 2.555 1.00 0.00 H new ATOM 0 HG11 VAL A 157 -1.616 -9.016 2.270 1.00 0.00 H new ATOM 0 HG12 VAL A 157 -2.533 -9.105 0.747 1.00 0.00 H new ATOM 0 HG13 VAL A 157 -1.382 -7.774 1.017 1.00 0.00 H new ATOM 0 HG21 VAL A 157 -2.180 -7.322 3.980 1.00 0.00 H new ATOM 0 HG22 VAL A 157 -1.976 -5.986 2.822 1.00 0.00 H new ATOM 0 HG23 VAL A 157 -3.508 -6.169 3.709 1.00 0.00 H new ATOM 416 N GLY A 158 -3.710 -8.538 -0.555 1.00 0.00 N ATOM 417 CA GLY A 158 -3.454 -9.126 -1.858 1.00 0.00 C ATOM 418 C GLY A 158 -2.112 -8.653 -2.421 1.00 0.00 C ATOM 419 O GLY A 158 -1.145 -8.497 -1.678 1.00 0.00 O ATOM 0 H GLY A 158 -3.933 -9.210 0.180 1.00 0.00 H new ATOM 0 HA2 GLY A 158 -3.455 -10.213 -1.777 1.00 0.00 H new ATOM 0 HA3 GLY A 158 -4.256 -8.857 -2.546 1.00 0.00 H new ATOM 423 N ASP A 159 -2.098 -8.436 -3.728 1.00 0.00 N ATOM 424 CA ASP A 159 -0.891 -7.984 -4.399 1.00 0.00 C ATOM 425 C ASP A 159 -0.539 -6.577 -3.909 1.00 0.00 C ATOM 426 O ASP A 159 0.627 -6.280 -3.652 1.00 0.00 O ATOM 427 CB ASP A 159 -1.093 -7.920 -5.913 1.00 0.00 C ATOM 428 CG ASP A 159 -1.936 -9.054 -6.501 1.00 0.00 C ATOM 429 OD1 ASP A 159 -1.579 -10.222 -6.238 1.00 0.00 O ATOM 430 OD2 ASP A 159 -2.919 -8.726 -7.200 1.00 0.00 O ATOM 0 H ASP A 159 -2.904 -8.565 -4.340 1.00 0.00 H new ATOM 0 HA ASP A 159 -0.093 -8.691 -4.172 1.00 0.00 H new ATOM 0 HB2 ASP A 159 -1.565 -6.970 -6.162 1.00 0.00 H new ATOM 0 HB3 ASP A 159 -0.116 -7.926 -6.396 1.00 0.00 H new ATOM 434 N TRP A 160 -1.567 -5.750 -3.795 1.00 0.00 N ATOM 435 CA TRP A 160 -1.380 -4.382 -3.341 1.00 0.00 C ATOM 436 C TRP A 160 -0.354 -4.396 -2.206 1.00 0.00 C ATOM 437 O TRP A 160 0.660 -3.704 -2.273 1.00 0.00 O ATOM 438 CB TRP A 160 -2.714 -3.752 -2.934 1.00 0.00 C ATOM 439 CG TRP A 160 -2.725 -3.182 -1.514 1.00 0.00 C ATOM 440 CD1 TRP A 160 -3.298 -3.702 -0.420 1.00 0.00 C ATOM 441 CD2 TRP A 160 -2.107 -1.954 -1.075 1.00 0.00 C ATOM 442 NE1 TRP A 160 -3.097 -2.902 0.686 1.00 0.00 N ATOM 443 CE2 TRP A 160 -2.349 -1.804 0.274 1.00 0.00 C ATOM 444 CE3 TRP A 160 -1.367 -1.000 -1.797 1.00 0.00 C ATOM 445 CZ2 TRP A 160 -1.887 -0.713 1.021 1.00 0.00 C ATOM 446 CZ3 TRP A 160 -0.913 0.085 -1.037 1.00 0.00 C ATOM 447 CH2 TRP A 160 -1.148 0.250 0.322 1.00 0.00 C ATOM 0 H TRP A 160 -2.532 -6.000 -4.009 1.00 0.00 H new ATOM 0 HA TRP A 160 -0.997 -3.757 -4.148 1.00 0.00 H new ATOM 0 HB2 TRP A 160 -2.957 -2.955 -3.636 1.00 0.00 H new ATOM 0 HB3 TRP A 160 -3.500 -4.503 -3.019 1.00 0.00 H new ATOM 0 HD1 TRP A 160 -3.848 -4.631 -0.406 1.00 0.00 H new ATOM 0 HE1 TRP A 160 -3.435 -3.082 1.631 1.00 0.00 H new ATOM 0 HE3 TRP A 160 -1.165 -1.097 -2.854 1.00 0.00 H new ATOM 0 HZ2 TRP A 160 -2.089 -0.619 2.078 1.00 0.00 H new ATOM 0 HZ3 TRP A 160 -0.340 0.847 -1.543 1.00 0.00 H new ATOM 0 HH2 TRP A 160 -0.763 1.117 0.838 1.00 0.00 H new ATOM 457 N ARG A 161 -0.654 -5.193 -1.191 1.00 0.00 N ATOM 458 CA ARG A 161 0.230 -5.305 -0.043 1.00 0.00 C ATOM 459 C ARG A 161 1.607 -5.811 -0.480 1.00 0.00 C ATOM 460 O ARG A 161 2.582 -5.063 -0.458 1.00 0.00 O ATOM 461 CB ARG A 161 -0.346 -6.260 1.005 1.00 0.00 C ATOM 462 CG ARG A 161 0.290 -6.021 2.375 1.00 0.00 C ATOM 463 CD ARG A 161 1.069 -7.253 2.840 1.00 0.00 C ATOM 464 NE ARG A 161 0.986 -7.377 4.313 1.00 0.00 N ATOM 465 CZ ARG A 161 1.280 -8.496 4.990 1.00 0.00 C ATOM 466 NH1 ARG A 161 1.676 -9.593 4.331 1.00 0.00 N ATOM 467 NH2 ARG A 161 1.176 -8.518 6.326 1.00 0.00 N ATOM 0 H ARG A 161 -1.496 -5.767 -1.140 1.00 0.00 H new ATOM 0 HA ARG A 161 0.326 -4.313 0.399 1.00 0.00 H new ATOM 0 HB2 ARG A 161 -1.425 -6.123 1.073 1.00 0.00 H new ATOM 0 HB3 ARG A 161 -0.174 -7.291 0.696 1.00 0.00 H new ATOM 0 HG2 ARG A 161 0.958 -5.161 2.325 1.00 0.00 H new ATOM 0 HG3 ARG A 161 -0.485 -5.780 3.103 1.00 0.00 H new ATOM 0 HD2 ARG A 161 0.665 -8.149 2.368 1.00 0.00 H new ATOM 0 HD3 ARG A 161 2.111 -7.172 2.532 1.00 0.00 H new ATOM 0 HE ARG A 161 0.687 -6.560 4.846 1.00 0.00 H new ATOM 0 HH11 ARG A 161 1.754 -9.577 3.314 1.00 0.00 H new ATOM 0 HH12 ARG A 161 1.900 -10.444 4.846 1.00 0.00 H new ATOM 0 HH21 ARG A 161 0.873 -7.683 6.828 1.00 0.00 H new ATOM 0 HH22 ARG A 161 1.400 -9.370 6.841 1.00 0.00 H new ATOM 478 N LYS A 162 1.640 -7.077 -0.868 1.00 0.00 N ATOM 479 CA LYS A 162 2.881 -7.692 -1.311 1.00 0.00 C ATOM 480 C LYS A 162 3.787 -6.619 -1.918 1.00 0.00 C ATOM 481 O LYS A 162 4.978 -6.563 -1.613 1.00 0.00 O ATOM 482 CB LYS A 162 2.593 -8.861 -2.255 1.00 0.00 C ATOM 483 CG LYS A 162 3.576 -8.872 -3.428 1.00 0.00 C ATOM 484 CD LYS A 162 4.966 -9.322 -2.974 1.00 0.00 C ATOM 485 CE LYS A 162 5.886 -9.559 -4.173 1.00 0.00 C ATOM 486 NZ LYS A 162 6.133 -11.005 -4.361 1.00 0.00 N ATOM 0 H LYS A 162 0.828 -7.694 -0.885 1.00 0.00 H new ATOM 0 HA LYS A 162 3.417 -8.122 -0.465 1.00 0.00 H new ATOM 0 HB2 LYS A 162 2.663 -9.801 -1.708 1.00 0.00 H new ATOM 0 HB3 LYS A 162 1.573 -8.787 -2.631 1.00 0.00 H new ATOM 0 HG2 LYS A 162 3.210 -9.540 -4.208 1.00 0.00 H new ATOM 0 HG3 LYS A 162 3.637 -7.875 -3.865 1.00 0.00 H new ATOM 0 HD2 LYS A 162 5.402 -8.566 -2.321 1.00 0.00 H new ATOM 0 HD3 LYS A 162 4.882 -10.238 -2.389 1.00 0.00 H new ATOM 0 HE2 LYS A 162 5.434 -9.142 -5.073 1.00 0.00 H new ATOM 0 HE3 LYS A 162 6.832 -9.040 -4.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 162 6.759 -11.147 -5.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 162 6.584 -11.394 -3.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 162 5.230 -11.493 -4.528 1.00 0.00 H new ATOM 496 N ASN A 163 3.190 -5.795 -2.766 1.00 0.00 N ATOM 497 CA ASN A 163 3.929 -4.727 -3.418 1.00 0.00 C ATOM 498 C ASN A 163 4.442 -3.747 -2.361 1.00 0.00 C ATOM 499 O ASN A 163 5.591 -3.836 -1.933 1.00 0.00 O ATOM 500 CB ASN A 163 3.036 -3.951 -4.388 1.00 0.00 C ATOM 501 CG ASN A 163 2.916 -4.681 -5.727 1.00 0.00 C ATOM 502 OD1 ASN A 163 2.749 -5.888 -5.794 1.00 0.00 O ATOM 503 ND2 ASN A 163 3.011 -3.884 -6.788 1.00 0.00 N ATOM 0 H ASN A 163 2.203 -5.845 -3.017 1.00 0.00 H new ATOM 0 HA ASN A 163 4.755 -5.177 -3.969 1.00 0.00 H new ATOM 0 HB2 ASN A 163 2.046 -3.820 -3.951 1.00 0.00 H new ATOM 0 HB3 ASN A 163 3.447 -2.955 -4.549 1.00 0.00 H new ATOM 0 HD21 ASN A 163 2.944 -4.275 -7.728 1.00 0.00 H new ATOM 0 HD22 ASN A 163 3.151 -2.882 -6.662 1.00 0.00 H new ATOM 509 N ILE A 164 3.563 -2.836 -1.970 1.00 0.00 N ATOM 510 CA ILE A 164 3.913 -1.841 -0.971 1.00 0.00 C ATOM 511 C ILE A 164 4.650 -2.521 0.185 1.00 0.00 C ATOM 512 O ILE A 164 5.758 -2.120 0.540 1.00 0.00 O ATOM 513 CB ILE A 164 2.670 -1.061 -0.533 1.00 0.00 C ATOM 514 CG1 ILE A 164 1.540 -2.011 -0.134 1.00 0.00 C ATOM 515 CG2 ILE A 164 2.234 -0.073 -1.617 1.00 0.00 C ATOM 516 CD1 ILE A 164 1.400 -2.089 1.388 1.00 0.00 C ATOM 0 H ILE A 164 2.610 -2.766 -2.327 1.00 0.00 H new ATOM 0 HA ILE A 164 4.594 -1.102 -1.393 1.00 0.00 H new ATOM 0 HB ILE A 164 2.926 -0.477 0.351 1.00 0.00 H new ATOM 0 HG12 ILE A 164 0.602 -1.670 -0.572 1.00 0.00 H new ATOM 0 HG13 ILE A 164 1.737 -3.005 -0.536 1.00 0.00 H new ATOM 0 HG21 ILE A 164 1.349 0.468 -1.281 1.00 0.00 H new ATOM 0 HG22 ILE A 164 3.041 0.634 -1.810 1.00 0.00 H new ATOM 0 HG23 ILE A 164 2.001 -0.617 -2.532 1.00 0.00 H new ATOM 0 HD11 ILE A 164 0.589 -2.771 1.644 1.00 0.00 H new ATOM 0 HD12 ILE A 164 2.332 -2.453 1.821 1.00 0.00 H new ATOM 0 HD13 ILE A 164 1.179 -1.098 1.784 1.00 0.00 H new ATOM 527 N GLU A 165 4.005 -3.537 0.739 1.00 0.00 N ATOM 528 CA GLU A 165 4.587 -4.276 1.846 1.00 0.00 C ATOM 529 C GLU A 165 6.084 -4.493 1.614 1.00 0.00 C ATOM 530 O GLU A 165 6.901 -4.176 2.477 1.00 0.00 O ATOM 531 CB GLU A 165 3.866 -5.611 2.053 1.00 0.00 C ATOM 532 CG GLU A 165 3.958 -6.064 3.511 1.00 0.00 C ATOM 533 CD GLU A 165 4.528 -7.481 3.610 1.00 0.00 C ATOM 534 OE1 GLU A 165 3.723 -8.427 3.474 1.00 0.00 O ATOM 535 OE2 GLU A 165 5.756 -7.585 3.820 1.00 0.00 O ATOM 0 H GLU A 165 3.086 -3.865 0.442 1.00 0.00 H new ATOM 0 HA GLU A 165 4.462 -3.687 2.755 1.00 0.00 H new ATOM 0 HB2 GLU A 165 2.819 -5.512 1.765 1.00 0.00 H new ATOM 0 HB3 GLU A 165 4.305 -6.369 1.405 1.00 0.00 H new ATOM 0 HG2 GLU A 165 4.590 -5.374 4.071 1.00 0.00 H new ATOM 0 HG3 GLU A 165 2.969 -6.033 3.968 1.00 0.00 H new ATOM 540 N GLU A 166 6.396 -5.029 0.443 1.00 0.00 N ATOM 541 CA GLU A 166 7.781 -5.290 0.087 1.00 0.00 C ATOM 542 C GLU A 166 8.576 -3.984 0.051 1.00 0.00 C ATOM 543 O GLU A 166 9.631 -3.878 0.673 1.00 0.00 O ATOM 544 CB GLU A 166 7.873 -6.026 -1.252 1.00 0.00 C ATOM 545 CG GLU A 166 9.322 -6.390 -1.579 1.00 0.00 C ATOM 546 CD GLU A 166 9.763 -7.633 -0.804 1.00 0.00 C ATOM 547 OE1 GLU A 166 9.130 -8.690 -1.018 1.00 0.00 O ATOM 548 OE2 GLU A 166 10.723 -7.499 -0.016 1.00 0.00 O ATOM 0 H GLU A 166 5.715 -5.289 -0.270 1.00 0.00 H new ATOM 0 HA GLU A 166 8.216 -5.935 0.850 1.00 0.00 H new ATOM 0 HB2 GLU A 166 7.266 -6.931 -1.216 1.00 0.00 H new ATOM 0 HB3 GLU A 166 7.464 -5.399 -2.044 1.00 0.00 H new ATOM 0 HG2 GLU A 166 9.423 -6.570 -2.649 1.00 0.00 H new ATOM 0 HG3 GLU A 166 9.975 -5.553 -1.333 1.00 0.00 H new ATOM 553 N LYS A 167 8.038 -3.021 -0.685 1.00 0.00 N ATOM 554 CA LYS A 167 8.684 -1.727 -0.810 1.00 0.00 C ATOM 555 C LYS A 167 7.918 -0.696 0.023 1.00 0.00 C ATOM 556 O LYS A 167 7.201 0.141 -0.525 1.00 0.00 O ATOM 557 CB LYS A 167 8.829 -1.340 -2.283 1.00 0.00 C ATOM 558 CG LYS A 167 7.467 -1.318 -2.981 1.00 0.00 C ATOM 559 CD LYS A 167 7.186 0.056 -3.592 1.00 0.00 C ATOM 560 CE LYS A 167 8.186 0.375 -4.706 1.00 0.00 C ATOM 561 NZ LYS A 167 8.394 1.837 -4.812 1.00 0.00 N ATOM 0 H LYS A 167 7.162 -3.112 -1.200 1.00 0.00 H new ATOM 0 HA LYS A 167 9.698 -1.769 -0.413 1.00 0.00 H new ATOM 0 HB2 LYS A 167 9.297 -0.359 -2.360 1.00 0.00 H new ATOM 0 HB3 LYS A 167 9.488 -2.048 -2.786 1.00 0.00 H new ATOM 0 HG2 LYS A 167 7.442 -2.079 -3.761 1.00 0.00 H new ATOM 0 HG3 LYS A 167 6.684 -1.569 -2.266 1.00 0.00 H new ATOM 0 HD2 LYS A 167 6.172 0.080 -3.991 1.00 0.00 H new ATOM 0 HD3 LYS A 167 7.242 0.821 -2.818 1.00 0.00 H new ATOM 0 HE2 LYS A 167 9.136 -0.120 -4.503 1.00 0.00 H new ATOM 0 HE3 LYS A 167 7.819 -0.016 -5.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 167 9.075 2.037 -5.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 167 7.489 2.302 -5.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 167 8.764 2.201 -3.911 1.00 0.00 H new ATOM 571 N SER A 168 8.096 -0.791 1.332 1.00 0.00 N ATOM 572 CA SER A 168 7.430 0.121 2.246 1.00 0.00 C ATOM 573 C SER A 168 8.023 -0.018 3.650 1.00 0.00 C ATOM 574 O SER A 168 8.880 0.769 4.046 1.00 0.00 O ATOM 575 CB SER A 168 5.922 -0.135 2.279 1.00 0.00 C ATOM 576 OG SER A 168 5.609 -1.416 2.820 1.00 0.00 O ATOM 0 H SER A 168 8.692 -1.486 1.782 1.00 0.00 H new ATOM 0 HA SER A 168 7.591 1.139 1.890 1.00 0.00 H new ATOM 0 HB2 SER A 168 5.436 0.638 2.874 1.00 0.00 H new ATOM 0 HB3 SER A 168 5.519 -0.060 1.269 1.00 0.00 H new ATOM 0 HG SER A 168 6.069 -2.110 2.304 1.00 0.00 H new ATOM 581 N GLY A 169 7.543 -1.027 4.362 1.00 0.00 N ATOM 582 CA GLY A 169 8.014 -1.279 5.713 1.00 0.00 C ATOM 583 C GLY A 169 9.177 -2.275 5.711 1.00 0.00 C ATOM 584 O GLY A 169 10.252 -1.980 6.230 1.00 0.00 O ATOM 0 H GLY A 169 6.833 -1.679 4.029 1.00 0.00 H new ATOM 0 HA2 GLY A 169 8.333 -0.343 6.171 1.00 0.00 H new ATOM 0 HA3 GLY A 169 7.197 -1.669 6.320 1.00 0.00 H new