USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 495 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 98 SER OG : rot 78:sc= 0.349 USER MOD Set 1.2: A 150 TYR OH : rot -103:sc= 0.911 USER MOD Single : A 103 MET CE :methyl 177:sc= -0.246 (180deg=-0.272) USER MOD Single : A 106 LYS NZ :NH3+ -150:sc= -0.0467 (180deg=-0.201) USER MOD Single : A 107 ASN : amide:sc= -0.151 K(o=-0.15,f=-0.68) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 148:sc= 0.778 (180deg=-0.981!) USER MOD Single : A 120 MET CE :methyl -116:sc= -2.6 (180deg=-7.23!) USER MOD Single : A 122 GLN : amide:sc= 0.697 K(o=0.7,f=0) USER MOD Single : A 124 THR OG1 : rot 25:sc= -1.31! USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD Single : A 129 THR OG1 : rot -57:sc= 0.413 USER MOD Single : A 137 MET CE :methyl -137:sc= -2.13 (180deg=-4.8!) USER MOD Single : A 138 LYS NZ :NH3+ -172:sc= 1.21 (180deg=1.15) USER MOD Single : A 142 LYS NZ :NH3+ 166:sc= 0.119 (180deg=-0.0248) USER MOD Single : A 143 ASN : amide:sc= 0.126 X(o=0.13,f=-0.17) USER MOD Single : A 144 ASN : amide:sc= -0.0141 X(o=-0.014,f=0) USER MOD Single : A 157 MET CE :methyl -175:sc= -0.0024 (180deg=-0.0401) USER MOD Single : A 158 LYS NZ :NH3+ -116:sc= 1.18 (180deg=0.204) USER MOD ----------------------------------------------------------------- ATOM 60 N GLU A 94 1.709 5.151 4.566 1.00 1.26 N ATOM 61 CA GLU A 94 1.205 6.376 5.267 1.00 1.17 C ATOM 62 C GLU A 94 2.085 6.742 6.478 1.00 1.12 C ATOM 63 O GLU A 94 2.138 7.891 6.878 1.00 1.09 O ATOM 64 CB GLU A 94 -0.217 6.018 5.704 1.00 1.33 C ATOM 65 CG GLU A 94 -1.176 6.268 4.533 1.00 1.28 C ATOM 66 CD GLU A 94 -1.495 7.762 4.440 1.00 1.44 C ATOM 67 OE1 GLU A 94 -0.638 8.506 3.988 1.00 1.94 O ATOM 68 OE2 GLU A 94 -2.588 8.139 4.823 1.00 2.09 O ATOM 0 HA GLU A 94 1.229 7.251 4.618 1.00 1.17 H new ATOM 0 HB2 GLU A 94 -0.264 4.974 6.013 1.00 1.33 H new ATOM 0 HB3 GLU A 94 -0.509 6.619 6.565 1.00 1.33 H new ATOM 0 HG2 GLU A 94 -0.726 5.923 3.602 1.00 1.28 H new ATOM 0 HG3 GLU A 94 -2.094 5.698 4.674 1.00 1.28 H new ATOM 75 N GLU A 95 2.787 5.788 7.050 1.00 1.19 N ATOM 76 CA GLU A 95 3.674 6.099 8.220 1.00 1.23 C ATOM 77 C GLU A 95 4.660 7.217 7.846 1.00 1.03 C ATOM 78 O GLU A 95 4.735 8.238 8.504 1.00 1.01 O ATOM 79 CB GLU A 95 4.440 4.801 8.516 1.00 1.45 C ATOM 80 CG GLU A 95 3.464 3.677 8.882 1.00 1.90 C ATOM 81 CD GLU A 95 3.991 2.347 8.338 1.00 2.12 C ATOM 82 OE1 GLU A 95 3.716 2.047 7.189 1.00 2.66 O ATOM 83 OE2 GLU A 95 4.668 1.653 9.077 1.00 2.49 O ATOM 0 H GLU A 95 2.784 4.811 6.758 1.00 1.19 H new ATOM 0 HA GLU A 95 3.102 6.437 9.084 1.00 1.23 H new ATOM 0 HB2 GLU A 95 5.028 4.512 7.645 1.00 1.45 H new ATOM 0 HB3 GLU A 95 5.141 4.963 9.335 1.00 1.45 H new ATOM 0 HG2 GLU A 95 3.348 3.619 9.964 1.00 1.90 H new ATOM 0 HG3 GLU A 95 2.478 3.887 8.467 1.00 1.90 H new ATOM 90 N GLU A 96 5.408 7.028 6.785 1.00 1.02 N ATOM 91 CA GLU A 96 6.389 8.070 6.343 1.00 0.94 C ATOM 92 C GLU A 96 5.769 8.971 5.260 1.00 0.79 C ATOM 93 O GLU A 96 6.165 10.110 5.092 1.00 0.82 O ATOM 94 CB GLU A 96 7.570 7.281 5.768 1.00 1.15 C ATOM 95 CG GLU A 96 8.266 6.499 6.889 1.00 1.62 C ATOM 96 CD GLU A 96 8.737 5.144 6.357 1.00 1.99 C ATOM 97 OE1 GLU A 96 9.850 5.079 5.862 1.00 2.78 O ATOM 98 OE2 GLU A 96 7.978 4.194 6.453 1.00 2.18 O ATOM 0 H GLU A 96 5.381 6.191 6.203 1.00 1.02 H new ATOM 0 HA GLU A 96 6.689 8.723 7.162 1.00 0.94 H new ATOM 0 HB2 GLU A 96 7.220 6.595 4.996 1.00 1.15 H new ATOM 0 HB3 GLU A 96 8.277 7.961 5.293 1.00 1.15 H new ATOM 0 HG2 GLU A 96 9.116 7.067 7.268 1.00 1.62 H new ATOM 0 HG3 GLU A 96 7.581 6.354 7.724 1.00 1.62 H new ATOM 105 N LEU A 97 4.800 8.464 4.527 1.00 0.77 N ATOM 106 CA LEU A 97 4.141 9.276 3.449 1.00 0.71 C ATOM 107 C LEU A 97 3.565 10.575 4.030 1.00 0.67 C ATOM 108 O LEU A 97 3.725 11.641 3.463 1.00 0.75 O ATOM 109 CB LEU A 97 3.000 8.392 2.917 1.00 0.80 C ATOM 110 CG LEU A 97 3.505 7.301 1.947 1.00 0.77 C ATOM 111 CD1 LEU A 97 2.928 7.561 0.557 1.00 1.40 C ATOM 112 CD2 LEU A 97 5.040 7.273 1.866 1.00 1.22 C ATOM 0 H LEU A 97 4.436 7.517 4.631 1.00 0.77 H new ATOM 0 HA LEU A 97 4.847 9.556 2.668 1.00 0.71 H new ATOM 0 HB2 LEU A 97 2.488 7.920 3.756 1.00 0.80 H new ATOM 0 HB3 LEU A 97 2.267 9.017 2.407 1.00 0.80 H new ATOM 0 HG LEU A 97 3.174 6.334 2.324 1.00 0.77 H new ATOM 0 HD11 LEU A 97 3.281 6.794 -0.133 1.00 1.40 H new ATOM 0 HD12 LEU A 97 1.839 7.534 0.604 1.00 1.40 H new ATOM 0 HD13 LEU A 97 3.252 8.541 0.206 1.00 1.40 H new ATOM 0 HD21 LEU A 97 5.354 6.492 1.173 1.00 1.22 H new ATOM 0 HD22 LEU A 97 5.403 8.238 1.513 1.00 1.22 H new ATOM 0 HD23 LEU A 97 5.453 7.069 2.854 1.00 1.22 H new ATOM 124 N SER A 98 2.896 10.490 5.158 1.00 0.69 N ATOM 125 CA SER A 98 2.303 11.715 5.784 1.00 0.76 C ATOM 126 C SER A 98 3.391 12.767 6.036 1.00 0.72 C ATOM 127 O SER A 98 3.233 13.924 5.690 1.00 0.77 O ATOM 128 CB SER A 98 1.697 11.239 7.107 1.00 0.92 C ATOM 129 OG SER A 98 0.754 12.201 7.564 1.00 1.57 O ATOM 0 H SER A 98 2.736 9.623 5.672 1.00 0.69 H new ATOM 0 HA SER A 98 1.556 12.181 5.141 1.00 0.76 H new ATOM 0 HB2 SER A 98 1.211 10.273 6.971 1.00 0.92 H new ATOM 0 HB3 SER A 98 2.482 11.100 7.851 1.00 0.92 H new ATOM 0 HG SER A 98 -0.081 12.105 7.061 1.00 1.57 H new ATOM 135 N ASP A 99 4.495 12.374 6.630 1.00 0.80 N ATOM 136 CA ASP A 99 5.598 13.350 6.902 1.00 0.86 C ATOM 137 C ASP A 99 6.134 13.932 5.587 1.00 0.81 C ATOM 138 O ASP A 99 6.409 15.113 5.493 1.00 0.91 O ATOM 139 CB ASP A 99 6.679 12.543 7.621 1.00 1.02 C ATOM 140 CG ASP A 99 6.310 12.404 9.098 1.00 1.23 C ATOM 141 OD1 ASP A 99 6.562 13.337 9.841 1.00 1.79 O ATOM 142 OD2 ASP A 99 5.772 11.370 9.458 1.00 1.83 O ATOM 0 H ASP A 99 4.679 11.419 6.938 1.00 0.80 H new ATOM 0 HA ASP A 99 5.260 14.195 7.502 1.00 0.86 H new ATOM 0 HB2 ASP A 99 6.777 11.558 7.165 1.00 1.02 H new ATOM 0 HB3 ASP A 99 7.645 13.038 7.521 1.00 1.02 H new ATOM 147 N LEU A 100 6.267 13.121 4.565 1.00 0.75 N ATOM 148 CA LEU A 100 6.764 13.643 3.251 1.00 0.76 C ATOM 149 C LEU A 100 5.818 14.741 2.728 1.00 0.68 C ATOM 150 O LEU A 100 6.206 15.585 1.945 1.00 0.79 O ATOM 151 CB LEU A 100 6.760 12.432 2.310 1.00 0.86 C ATOM 152 CG LEU A 100 8.037 12.426 1.461 1.00 0.79 C ATOM 153 CD1 LEU A 100 8.593 11.002 1.380 1.00 1.41 C ATOM 154 CD2 LEU A 100 7.716 12.926 0.048 1.00 1.41 C ATOM 0 H LEU A 100 6.054 12.124 4.583 1.00 0.75 H new ATOM 0 HA LEU A 100 7.756 14.088 3.331 1.00 0.76 H new ATOM 0 HB2 LEU A 100 6.694 11.511 2.889 1.00 0.86 H new ATOM 0 HB3 LEU A 100 5.883 12.466 1.663 1.00 0.86 H new ATOM 0 HG LEU A 100 8.778 13.081 1.920 1.00 0.79 H new ATOM 0 HD11 LEU A 100 9.501 11.000 0.776 1.00 1.41 H new ATOM 0 HD12 LEU A 100 8.824 10.644 2.383 1.00 1.41 H new ATOM 0 HD13 LEU A 100 7.851 10.347 0.923 1.00 1.41 H new ATOM 0 HD21 LEU A 100 8.624 12.921 -0.555 1.00 1.41 H new ATOM 0 HD22 LEU A 100 6.974 12.272 -0.409 1.00 1.41 H new ATOM 0 HD23 LEU A 100 7.322 13.941 0.102 1.00 1.41 H new ATOM 166 N PHE A 101 4.576 14.725 3.151 1.00 0.60 N ATOM 167 CA PHE A 101 3.601 15.760 2.690 1.00 0.59 C ATOM 168 C PHE A 101 3.522 16.945 3.676 1.00 0.60 C ATOM 169 O PHE A 101 3.624 18.091 3.282 1.00 0.72 O ATOM 170 CB PHE A 101 2.258 15.023 2.618 1.00 0.61 C ATOM 171 CG PHE A 101 1.180 15.971 2.140 1.00 0.58 C ATOM 172 CD1 PHE A 101 0.996 16.188 0.770 1.00 0.68 C ATOM 173 CD2 PHE A 101 0.365 16.632 3.068 1.00 0.86 C ATOM 174 CE1 PHE A 101 0.001 17.067 0.328 1.00 0.73 C ATOM 175 CE2 PHE A 101 -0.630 17.511 2.625 1.00 0.90 C ATOM 176 CZ PHE A 101 -0.813 17.727 1.254 1.00 0.69 C ATOM 0 H PHE A 101 4.196 14.035 3.799 1.00 0.60 H new ATOM 0 HA PHE A 101 3.893 16.191 1.732 1.00 0.59 H new ATOM 0 HB2 PHE A 101 2.335 14.173 1.940 1.00 0.61 H new ATOM 0 HB3 PHE A 101 1.997 14.626 3.599 1.00 0.61 H new ATOM 0 HD1 PHE A 101 1.622 15.677 0.054 1.00 0.68 H new ATOM 0 HD2 PHE A 101 0.504 16.463 4.126 1.00 0.86 H new ATOM 0 HE1 PHE A 101 -0.138 17.236 -0.730 1.00 0.73 H new ATOM 0 HE2 PHE A 101 -1.256 18.023 3.341 1.00 0.90 H new ATOM 0 HZ PHE A 101 -1.582 18.403 0.912 1.00 0.69 H new ATOM 186 N ARG A 102 3.301 16.678 4.946 1.00 0.67 N ATOM 187 CA ARG A 102 3.164 17.790 5.951 1.00 0.76 C ATOM 188 C ARG A 102 4.518 18.269 6.520 1.00 0.68 C ATOM 189 O ARG A 102 4.652 19.416 6.902 1.00 0.78 O ATOM 190 CB ARG A 102 2.277 17.206 7.065 1.00 0.99 C ATOM 191 CG ARG A 102 3.101 16.300 7.993 1.00 1.30 C ATOM 192 CD ARG A 102 2.309 15.026 8.309 1.00 1.45 C ATOM 193 NE ARG A 102 2.313 14.910 9.796 1.00 2.12 N ATOM 194 CZ ARG A 102 2.487 13.744 10.354 1.00 2.71 C ATOM 195 NH1 ARG A 102 1.462 12.981 10.614 1.00 3.37 N1+ ATOM 196 NH2 ARG A 102 3.690 13.337 10.642 1.00 3.07 N ATOM 0 H ARG A 102 3.209 15.738 5.331 1.00 0.67 H new ATOM 0 HA ARG A 102 2.735 18.677 5.485 1.00 0.76 H new ATOM 0 HB2 ARG A 102 1.828 18.015 7.642 1.00 0.99 H new ATOM 0 HB3 ARG A 102 1.458 16.637 6.625 1.00 0.99 H new ATOM 0 HG2 ARG A 102 4.048 16.043 7.519 1.00 1.30 H new ATOM 0 HG3 ARG A 102 3.340 16.829 8.915 1.00 1.30 H new ATOM 0 HD2 ARG A 102 1.291 15.091 7.924 1.00 1.45 H new ATOM 0 HD3 ARG A 102 2.770 14.153 7.846 1.00 1.45 H new ATOM 0 HE ARG A 102 2.180 15.740 10.374 1.00 2.12 H new ATOM 0 HH11 ARG A 102 0.520 13.295 10.381 1.00 3.37 H new ATOM 0 HH12 ARG A 102 1.602 12.070 11.050 1.00 3.37 H new ATOM 0 HH21 ARG A 102 4.493 13.930 10.431 1.00 3.07 H new ATOM 0 HH22 ARG A 102 3.829 12.426 11.078 1.00 3.07 H new ATOM 210 N MET A 103 5.508 17.417 6.604 1.00 0.71 N ATOM 211 CA MET A 103 6.826 17.856 7.176 1.00 0.75 C ATOM 212 C MET A 103 7.811 18.265 6.074 1.00 0.68 C ATOM 213 O MET A 103 8.789 18.940 6.333 1.00 0.83 O ATOM 214 CB MET A 103 7.359 16.640 7.938 1.00 0.93 C ATOM 215 CG MET A 103 7.855 17.074 9.321 1.00 1.27 C ATOM 216 SD MET A 103 6.522 17.913 10.212 1.00 1.82 S ATOM 217 CE MET A 103 5.600 16.431 10.679 1.00 2.43 C ATOM 0 H MET A 103 5.466 16.443 6.305 1.00 0.71 H new ATOM 0 HA MET A 103 6.705 18.729 7.817 1.00 0.75 H new ATOM 0 HB2 MET A 103 6.574 15.891 8.041 1.00 0.93 H new ATOM 0 HB3 MET A 103 8.171 16.176 7.379 1.00 0.93 H new ATOM 0 HG2 MET A 103 8.192 16.205 9.886 1.00 1.27 H new ATOM 0 HG3 MET A 103 8.712 17.740 9.218 1.00 1.27 H new ATOM 0 HE1 MET A 103 4.746 16.713 11.295 1.00 2.43 H new ATOM 0 HE2 MET A 103 5.248 15.923 9.781 1.00 2.43 H new ATOM 0 HE3 MET A 103 6.249 15.761 11.243 1.00 2.43 H new ATOM 227 N PHE A 104 7.573 17.857 4.856 1.00 0.68 N ATOM 228 CA PHE A 104 8.509 18.218 3.749 1.00 0.79 C ATOM 229 C PHE A 104 8.139 19.572 3.117 1.00 0.71 C ATOM 230 O PHE A 104 8.951 20.182 2.448 1.00 0.88 O ATOM 231 CB PHE A 104 8.356 17.086 2.735 1.00 0.94 C ATOM 232 CG PHE A 104 9.706 16.708 2.183 1.00 1.31 C ATOM 233 CD1 PHE A 104 10.749 16.346 3.046 1.00 1.26 C ATOM 234 CD2 PHE A 104 9.913 16.721 0.802 1.00 2.03 C ATOM 235 CE1 PHE A 104 12.001 15.998 2.523 1.00 1.86 C ATOM 236 CE2 PHE A 104 11.165 16.372 0.279 1.00 2.65 C ATOM 237 CZ PHE A 104 12.208 16.011 1.138 1.00 2.56 C ATOM 0 H PHE A 104 6.772 17.290 4.579 1.00 0.68 H new ATOM 0 HA PHE A 104 9.534 18.327 4.102 1.00 0.79 H new ATOM 0 HB2 PHE A 104 7.892 16.221 3.209 1.00 0.94 H new ATOM 0 HB3 PHE A 104 7.696 17.398 1.925 1.00 0.94 H new ATOM 0 HD1 PHE A 104 10.588 16.335 4.114 1.00 1.26 H new ATOM 0 HD2 PHE A 104 9.109 17.000 0.138 1.00 2.03 H new ATOM 0 HE1 PHE A 104 12.806 15.720 3.187 1.00 1.86 H new ATOM 0 HE2 PHE A 104 11.325 16.382 -0.789 1.00 2.65 H new ATOM 0 HZ PHE A 104 13.173 15.742 0.733 1.00 2.56 H new ATOM 247 N ASP A 105 6.928 20.043 3.316 1.00 0.61 N ATOM 248 CA ASP A 105 6.516 21.355 2.719 1.00 0.60 C ATOM 249 C ASP A 105 7.444 22.483 3.201 1.00 0.56 C ATOM 250 O ASP A 105 7.447 22.848 4.362 1.00 0.63 O ATOM 251 CB ASP A 105 5.079 21.577 3.211 1.00 0.68 C ATOM 252 CG ASP A 105 4.350 22.544 2.275 1.00 0.86 C ATOM 253 OD1 ASP A 105 4.350 22.297 1.085 1.00 1.45 O ATOM 254 OD2 ASP A 105 3.796 23.512 2.765 1.00 0.84 O ATOM 0 H ASP A 105 6.208 19.575 3.866 1.00 0.61 H new ATOM 0 HA ASP A 105 6.577 21.352 1.631 1.00 0.60 H new ATOM 0 HB2 ASP A 105 4.548 20.626 3.250 1.00 0.68 H new ATOM 0 HB3 ASP A 105 5.090 21.978 4.225 1.00 0.68 H new ATOM 259 N LYS A 106 8.235 23.030 2.310 1.00 0.59 N ATOM 260 CA LYS A 106 9.175 24.131 2.701 1.00 0.66 C ATOM 261 C LYS A 106 8.403 25.420 3.021 1.00 0.55 C ATOM 262 O LYS A 106 8.804 26.195 3.869 1.00 0.63 O ATOM 263 CB LYS A 106 10.076 24.332 1.478 1.00 0.87 C ATOM 264 CG LYS A 106 11.367 25.045 1.893 1.00 1.21 C ATOM 265 CD LYS A 106 11.851 25.932 0.742 1.00 1.61 C ATOM 266 CE LYS A 106 11.537 27.399 1.052 1.00 1.77 C ATOM 267 NZ LYS A 106 10.102 27.577 0.680 1.00 2.14 N1+ ATOM 0 H LYS A 106 8.271 22.762 1.327 1.00 0.59 H new ATOM 0 HA LYS A 106 9.745 23.883 3.596 1.00 0.66 H new ATOM 0 HB2 LYS A 106 10.312 23.368 1.027 1.00 0.87 H new ATOM 0 HB3 LYS A 106 9.553 24.918 0.723 1.00 0.87 H new ATOM 0 HG2 LYS A 106 11.192 25.649 2.783 1.00 1.21 H new ATOM 0 HG3 LYS A 106 12.133 24.313 2.150 1.00 1.21 H new ATOM 0 HD2 LYS A 106 12.924 25.803 0.597 1.00 1.61 H new ATOM 0 HD3 LYS A 106 11.365 25.635 -0.188 1.00 1.61 H new ATOM 0 HE2 LYS A 106 11.702 27.623 2.106 1.00 1.77 H new ATOM 0 HE3 LYS A 106 12.179 28.069 0.480 1.00 1.77 H new ATOM 0 HZ1 LYS A 106 9.942 28.558 0.374 1.00 2.14 H new ATOM 0 HZ2 LYS A 106 9.862 26.928 -0.096 1.00 2.14 H new ATOM 0 HZ3 LYS A 106 9.502 27.369 1.503 1.00 2.14 H new ATOM 281 N ASN A 107 7.302 25.654 2.347 1.00 0.48 N ATOM 282 CA ASN A 107 6.499 26.891 2.611 1.00 0.50 C ATOM 283 C ASN A 107 5.626 26.707 3.872 1.00 0.58 C ATOM 284 O ASN A 107 5.257 27.669 4.516 1.00 0.70 O ATOM 285 CB ASN A 107 5.640 27.064 1.355 1.00 0.54 C ATOM 286 CG ASN A 107 4.975 28.442 1.343 1.00 0.70 C ATOM 287 OD1 ASN A 107 5.580 29.430 1.707 1.00 1.00 O ATOM 288 ND2 ASN A 107 3.745 28.548 0.925 1.00 0.78 N ATOM 0 H ASN A 107 6.924 25.041 1.625 1.00 0.48 H new ATOM 0 HA ASN A 107 7.120 27.766 2.800 1.00 0.50 H new ATOM 0 HB2 ASN A 107 6.259 26.945 0.466 1.00 0.54 H new ATOM 0 HB3 ASN A 107 4.877 26.286 1.319 1.00 0.54 H new ATOM 0 HD21 ASN A 107 3.291 29.461 0.904 1.00 0.78 H new ATOM 0 HD22 ASN A 107 3.237 27.718 0.619 1.00 0.78 H new ATOM 295 N ALA A 108 5.326 25.473 4.233 1.00 0.65 N ATOM 296 CA ALA A 108 4.508 25.180 5.462 1.00 0.84 C ATOM 297 C ALA A 108 3.124 25.855 5.430 1.00 0.78 C ATOM 298 O ALA A 108 2.930 26.921 5.985 1.00 0.96 O ATOM 299 CB ALA A 108 5.339 25.712 6.637 1.00 1.03 C ATOM 0 H ALA A 108 5.620 24.644 3.717 1.00 0.65 H new ATOM 0 HA ALA A 108 4.305 24.112 5.540 1.00 0.84 H new ATOM 0 HB1 ALA A 108 4.805 25.534 7.570 1.00 1.03 H new ATOM 0 HB2 ALA A 108 6.300 25.199 6.665 1.00 1.03 H new ATOM 0 HB3 ALA A 108 5.503 26.782 6.512 1.00 1.03 H new ATOM 305 N ASP A 109 2.152 25.223 4.813 1.00 0.73 N ATOM 306 CA ASP A 109 0.770 25.808 4.774 1.00 0.74 C ATOM 307 C ASP A 109 -0.290 24.703 4.600 1.00 0.78 C ATOM 308 O ASP A 109 -1.395 24.959 4.159 1.00 0.96 O ATOM 309 CB ASP A 109 0.742 26.787 3.586 1.00 0.72 C ATOM 310 CG ASP A 109 1.489 26.206 2.387 1.00 1.15 C ATOM 311 OD1 ASP A 109 2.692 26.383 2.326 1.00 1.66 O ATOM 312 OD2 ASP A 109 0.847 25.602 1.546 1.00 1.95 O ATOM 0 H ASP A 109 2.255 24.328 4.335 1.00 0.73 H new ATOM 0 HA ASP A 109 0.537 26.320 5.708 1.00 0.74 H new ATOM 0 HB2 ASP A 109 -0.290 27.000 3.309 1.00 0.72 H new ATOM 0 HB3 ASP A 109 1.195 27.734 3.879 1.00 0.72 H new ATOM 317 N GLY A 110 0.028 23.478 4.963 1.00 0.76 N ATOM 318 CA GLY A 110 -0.968 22.369 4.840 1.00 0.85 C ATOM 319 C GLY A 110 -0.868 21.666 3.476 1.00 0.70 C ATOM 320 O GLY A 110 -1.142 20.486 3.371 1.00 0.73 O ATOM 0 H GLY A 110 0.935 23.203 5.339 1.00 0.76 H new ATOM 0 HA2 GLY A 110 -0.805 21.643 5.637 1.00 0.85 H new ATOM 0 HA3 GLY A 110 -1.974 22.767 4.972 1.00 0.85 H new ATOM 324 N TYR A 111 -0.510 22.375 2.428 1.00 0.68 N ATOM 325 CA TYR A 111 -0.432 21.731 1.075 1.00 0.60 C ATOM 326 C TYR A 111 0.892 22.068 0.377 1.00 0.58 C ATOM 327 O TYR A 111 1.518 23.068 0.663 1.00 0.83 O ATOM 328 CB TYR A 111 -1.601 22.333 0.284 1.00 0.68 C ATOM 329 CG TYR A 111 -2.918 21.958 0.925 1.00 0.68 C ATOM 330 CD1 TYR A 111 -3.349 22.620 2.082 1.00 0.71 C ATOM 331 CD2 TYR A 111 -3.708 20.952 0.359 1.00 0.78 C ATOM 332 CE1 TYR A 111 -4.571 22.277 2.671 1.00 0.78 C ATOM 333 CE2 TYR A 111 -4.932 20.610 0.947 1.00 0.83 C ATOM 334 CZ TYR A 111 -5.362 21.271 2.104 1.00 0.80 C ATOM 335 OH TYR A 111 -6.568 20.936 2.683 1.00 0.90 O ATOM 0 H TYR A 111 -0.270 23.366 2.451 1.00 0.68 H new ATOM 0 HA TYR A 111 -0.483 20.645 1.147 1.00 0.60 H new ATOM 0 HB2 TYR A 111 -1.503 23.418 0.247 1.00 0.68 H new ATOM 0 HB3 TYR A 111 -1.575 21.975 -0.745 1.00 0.68 H new ATOM 0 HD1 TYR A 111 -2.738 23.395 2.520 1.00 0.71 H new ATOM 0 HD2 TYR A 111 -3.374 20.439 -0.531 1.00 0.78 H new ATOM 0 HE1 TYR A 111 -4.904 22.788 3.562 1.00 0.78 H new ATOM 0 HE2 TYR A 111 -5.544 19.836 0.508 1.00 0.83 H new ATOM 0 HH TYR A 111 -6.992 20.220 2.165 1.00 0.90 H new ATOM 345 N ILE A 112 1.308 21.248 -0.555 1.00 0.50 N ATOM 346 CA ILE A 112 2.578 21.532 -1.292 1.00 0.50 C ATOM 347 C ILE A 112 2.239 22.188 -2.642 1.00 0.49 C ATOM 348 O ILE A 112 1.514 21.635 -3.445 1.00 0.66 O ATOM 349 CB ILE A 112 3.271 20.169 -1.482 1.00 0.50 C ATOM 350 CG1 ILE A 112 3.287 19.391 -0.157 1.00 0.62 C ATOM 351 CG2 ILE A 112 4.718 20.394 -1.935 1.00 0.58 C ATOM 352 CD1 ILE A 112 3.916 18.013 -0.380 1.00 0.66 C ATOM 0 H ILE A 112 0.824 20.395 -0.837 1.00 0.50 H new ATOM 0 HA ILE A 112 3.233 22.218 -0.755 1.00 0.50 H new ATOM 0 HB ILE A 112 2.723 19.599 -2.232 1.00 0.50 H new ATOM 0 HG12 ILE A 112 3.852 19.943 0.594 1.00 0.62 H new ATOM 0 HG13 ILE A 112 2.272 19.281 0.225 1.00 0.62 H new ATOM 0 HG21 ILE A 112 5.211 19.431 -2.070 1.00 0.58 H new ATOM 0 HG22 ILE A 112 4.723 20.940 -2.878 1.00 0.58 H new ATOM 0 HG23 ILE A 112 5.250 20.971 -1.179 1.00 0.58 H new ATOM 0 HD11 ILE A 112 3.927 17.462 0.560 1.00 0.66 H new ATOM 0 HD12 ILE A 112 3.332 17.462 -1.117 1.00 0.66 H new ATOM 0 HD13 ILE A 112 4.937 18.133 -0.742 1.00 0.66 H new ATOM 364 N ASP A 113 2.739 23.377 -2.880 1.00 0.47 N ATOM 365 CA ASP A 113 2.433 24.098 -4.162 1.00 0.50 C ATOM 366 C ASP A 113 3.307 23.588 -5.322 1.00 0.50 C ATOM 367 O ASP A 113 3.862 22.510 -5.269 1.00 0.57 O ATOM 368 CB ASP A 113 2.741 25.572 -3.860 1.00 0.60 C ATOM 369 CG ASP A 113 1.724 26.114 -2.854 1.00 1.17 C ATOM 370 OD1 ASP A 113 0.643 26.484 -3.278 1.00 1.77 O ATOM 371 OD2 ASP A 113 2.043 26.145 -1.677 1.00 1.85 O ATOM 0 H ASP A 113 3.350 23.884 -2.239 1.00 0.47 H new ATOM 0 HA ASP A 113 1.401 23.940 -4.477 1.00 0.50 H new ATOM 0 HB2 ASP A 113 3.750 25.668 -3.460 1.00 0.60 H new ATOM 0 HB3 ASP A 113 2.706 26.157 -4.779 1.00 0.60 H new ATOM 376 N LEU A 114 3.420 24.360 -6.374 1.00 0.52 N ATOM 377 CA LEU A 114 4.253 23.941 -7.548 1.00 0.57 C ATOM 378 C LEU A 114 5.705 24.439 -7.413 1.00 0.63 C ATOM 379 O LEU A 114 6.577 24.015 -8.148 1.00 0.80 O ATOM 380 CB LEU A 114 3.586 24.599 -8.758 1.00 0.62 C ATOM 381 CG LEU A 114 2.629 23.608 -9.419 1.00 0.61 C ATOM 382 CD1 LEU A 114 1.355 24.339 -9.841 1.00 0.91 C ATOM 383 CD2 LEU A 114 3.300 22.996 -10.650 1.00 0.81 C ATOM 0 H LEU A 114 2.968 25.269 -6.472 1.00 0.52 H new ATOM 0 HA LEU A 114 4.305 22.855 -7.632 1.00 0.57 H new ATOM 0 HB2 LEU A 114 3.043 25.491 -8.446 1.00 0.62 H new ATOM 0 HB3 LEU A 114 4.343 24.921 -9.473 1.00 0.62 H new ATOM 0 HG LEU A 114 2.377 22.817 -8.713 1.00 0.61 H new ATOM 0 HD11 LEU A 114 0.670 23.634 -10.313 1.00 0.91 H new ATOM 0 HD12 LEU A 114 0.878 24.776 -8.963 1.00 0.91 H new ATOM 0 HD13 LEU A 114 1.606 25.129 -10.548 1.00 0.91 H new ATOM 0 HD21 LEU A 114 2.618 22.289 -11.122 1.00 0.81 H new ATOM 0 HD22 LEU A 114 3.551 23.786 -11.358 1.00 0.81 H new ATOM 0 HD23 LEU A 114 4.210 22.477 -10.348 1.00 0.81 H new ATOM 395 N ASP A 115 5.964 25.358 -6.510 1.00 0.61 N ATOM 396 CA ASP A 115 7.352 25.909 -6.367 1.00 0.71 C ATOM 397 C ASP A 115 8.244 25.057 -5.444 1.00 0.65 C ATOM 398 O ASP A 115 9.365 24.746 -5.794 1.00 0.89 O ATOM 399 CB ASP A 115 7.157 27.308 -5.775 1.00 0.80 C ATOM 400 CG ASP A 115 8.498 28.044 -5.735 1.00 1.17 C ATOM 401 OD1 ASP A 115 8.866 28.618 -6.746 1.00 1.76 O ATOM 402 OD2 ASP A 115 9.137 28.014 -4.698 1.00 1.76 O ATOM 0 H ASP A 115 5.276 25.749 -5.867 1.00 0.61 H new ATOM 0 HA ASP A 115 7.864 25.916 -7.329 1.00 0.71 H new ATOM 0 HB2 ASP A 115 6.441 27.870 -6.374 1.00 0.80 H new ATOM 0 HB3 ASP A 115 6.742 27.233 -4.770 1.00 0.80 H new ATOM 407 N GLU A 116 7.788 24.705 -4.267 1.00 0.51 N ATOM 408 CA GLU A 116 8.666 23.907 -3.340 1.00 0.48 C ATOM 409 C GLU A 116 8.959 22.500 -3.895 1.00 0.49 C ATOM 410 O GLU A 116 9.934 21.886 -3.510 1.00 0.63 O ATOM 411 CB GLU A 116 7.925 23.814 -1.996 1.00 0.48 C ATOM 412 CG GLU A 116 7.455 25.201 -1.547 1.00 0.57 C ATOM 413 CD GLU A 116 6.060 25.085 -0.939 1.00 0.60 C ATOM 414 OE1 GLU A 116 5.931 24.417 0.072 1.00 1.36 O ATOM 415 OE2 GLU A 116 5.143 25.665 -1.492 1.00 1.19 O ATOM 0 H GLU A 116 6.860 24.929 -3.907 1.00 0.51 H new ATOM 0 HA GLU A 116 9.633 24.397 -3.227 1.00 0.48 H new ATOM 0 HB2 GLU A 116 7.069 23.146 -2.091 1.00 0.48 H new ATOM 0 HB3 GLU A 116 8.582 23.384 -1.240 1.00 0.48 H new ATOM 0 HG2 GLU A 116 8.150 25.615 -0.816 1.00 0.57 H new ATOM 0 HG3 GLU A 116 7.439 25.885 -2.395 1.00 0.57 H new ATOM 422 N LEU A 117 8.141 21.981 -4.792 1.00 0.48 N ATOM 423 CA LEU A 117 8.411 20.609 -5.352 1.00 0.52 C ATOM 424 C LEU A 117 9.856 20.522 -5.871 1.00 0.58 C ATOM 425 O LEU A 117 10.568 19.578 -5.584 1.00 0.69 O ATOM 426 CB LEU A 117 7.428 20.417 -6.514 1.00 0.55 C ATOM 427 CG LEU A 117 6.022 20.103 -5.988 1.00 0.50 C ATOM 428 CD1 LEU A 117 5.003 20.595 -7.009 1.00 0.58 C ATOM 429 CD2 LEU A 117 5.845 18.587 -5.789 1.00 0.53 C ATOM 0 H LEU A 117 7.308 22.443 -5.156 1.00 0.48 H new ATOM 0 HA LEU A 117 8.285 19.840 -4.590 1.00 0.52 H new ATOM 0 HB2 LEU A 117 7.400 21.319 -7.126 1.00 0.55 H new ATOM 0 HB3 LEU A 117 7.771 19.606 -7.157 1.00 0.55 H new ATOM 0 HG LEU A 117 5.877 20.600 -5.029 1.00 0.50 H new ATOM 0 HD11 LEU A 117 3.996 20.380 -6.651 1.00 0.58 H new ATOM 0 HD12 LEU A 117 5.117 21.670 -7.148 1.00 0.58 H new ATOM 0 HD13 LEU A 117 5.166 20.087 -7.960 1.00 0.58 H new ATOM 0 HD21 LEU A 117 4.841 18.384 -5.415 1.00 0.53 H new ATOM 0 HD22 LEU A 117 5.988 18.076 -6.741 1.00 0.53 H new ATOM 0 HD23 LEU A 117 6.580 18.226 -5.069 1.00 0.53 H new ATOM 441 N LYS A 118 10.293 21.504 -6.629 1.00 0.59 N ATOM 442 CA LYS A 118 11.694 21.480 -7.162 1.00 0.69 C ATOM 443 C LYS A 118 12.706 21.760 -6.034 1.00 0.64 C ATOM 444 O LYS A 118 13.777 21.187 -6.005 1.00 0.73 O ATOM 445 CB LYS A 118 11.745 22.574 -8.246 1.00 0.83 C ATOM 446 CG LYS A 118 11.864 23.959 -7.602 1.00 0.99 C ATOM 447 CD LYS A 118 11.722 25.048 -8.672 1.00 1.35 C ATOM 448 CE LYS A 118 10.521 25.943 -8.343 1.00 1.51 C ATOM 449 NZ LYS A 118 10.965 26.794 -7.201 1.00 1.99 N1+ ATOM 0 H LYS A 118 9.741 22.318 -6.900 1.00 0.59 H new ATOM 0 HA LYS A 118 11.957 20.506 -7.574 1.00 0.69 H new ATOM 0 HB2 LYS A 118 12.593 22.400 -8.908 1.00 0.83 H new ATOM 0 HB3 LYS A 118 10.846 22.528 -8.861 1.00 0.83 H new ATOM 0 HG2 LYS A 118 11.094 24.083 -6.841 1.00 0.99 H new ATOM 0 HG3 LYS A 118 12.827 24.054 -7.100 1.00 0.99 H new ATOM 0 HD2 LYS A 118 12.632 25.647 -8.718 1.00 1.35 H new ATOM 0 HD3 LYS A 118 11.590 24.592 -9.653 1.00 1.35 H new ATOM 0 HE2 LYS A 118 10.238 26.553 -9.201 1.00 1.51 H new ATOM 0 HE3 LYS A 118 9.649 25.347 -8.074 1.00 1.51 H new ATOM 0 HZ1 LYS A 118 10.500 27.723 -7.259 1.00 1.99 H new ATOM 0 HZ2 LYS A 118 10.708 26.333 -6.305 1.00 1.99 H new ATOM 0 HZ3 LYS A 118 11.997 26.920 -7.242 1.00 1.99 H new ATOM 463 N ILE A 119 12.368 22.625 -5.101 1.00 0.68 N ATOM 464 CA ILE A 119 13.309 22.926 -3.972 1.00 0.74 C ATOM 465 C ILE A 119 13.518 21.662 -3.130 1.00 0.75 C ATOM 466 O ILE A 119 14.617 21.366 -2.702 1.00 0.85 O ATOM 467 CB ILE A 119 12.629 24.037 -3.157 1.00 0.98 C ATOM 468 CG1 ILE A 119 12.807 25.376 -3.885 1.00 1.22 C ATOM 469 CG2 ILE A 119 13.266 24.132 -1.765 1.00 1.08 C ATOM 470 CD1 ILE A 119 11.622 26.295 -3.585 1.00 1.06 C ATOM 0 H ILE A 119 11.484 23.133 -5.074 1.00 0.68 H new ATOM 0 HA ILE A 119 14.293 23.244 -4.317 1.00 0.74 H new ATOM 0 HB ILE A 119 11.569 23.807 -3.051 1.00 0.98 H new ATOM 0 HG12 ILE A 119 13.736 25.851 -3.568 1.00 1.22 H new ATOM 0 HG13 ILE A 119 12.885 25.208 -4.959 1.00 1.22 H new ATOM 0 HG21 ILE A 119 12.778 24.922 -1.195 1.00 1.08 H new ATOM 0 HG22 ILE A 119 13.147 23.182 -1.245 1.00 1.08 H new ATOM 0 HG23 ILE A 119 14.327 24.360 -1.865 1.00 1.08 H new ATOM 0 HD11 ILE A 119 11.756 27.243 -4.105 1.00 1.06 H new ATOM 0 HD12 ILE A 119 10.700 25.822 -3.924 1.00 1.06 H new ATOM 0 HD13 ILE A 119 11.564 26.475 -2.512 1.00 1.06 H new ATOM 482 N MET A 120 12.472 20.903 -2.909 1.00 0.85 N ATOM 483 CA MET A 120 12.614 19.642 -2.120 1.00 1.01 C ATOM 484 C MET A 120 13.499 18.663 -2.904 1.00 0.95 C ATOM 485 O MET A 120 14.407 18.061 -2.362 1.00 1.11 O ATOM 486 CB MET A 120 11.193 19.088 -1.976 1.00 1.17 C ATOM 487 CG MET A 120 10.359 20.008 -1.079 1.00 1.52 C ATOM 488 SD MET A 120 8.652 20.034 -1.680 1.00 1.88 S ATOM 489 CE MET A 120 7.886 19.259 -0.238 1.00 1.43 C ATOM 0 H MET A 120 11.528 21.103 -3.241 1.00 0.85 H new ATOM 0 HA MET A 120 13.074 19.802 -1.145 1.00 1.01 H new ATOM 0 HB2 MET A 120 10.726 19.003 -2.957 1.00 1.17 H new ATOM 0 HB3 MET A 120 11.226 18.085 -1.551 1.00 1.17 H new ATOM 0 HG2 MET A 120 10.389 19.656 -0.048 1.00 1.52 H new ATOM 0 HG3 MET A 120 10.775 21.016 -1.084 1.00 1.52 H new ATOM 0 HE1 MET A 120 7.450 18.303 -0.527 1.00 1.43 H new ATOM 0 HE2 MET A 120 8.641 19.096 0.531 1.00 1.43 H new ATOM 0 HE3 MET A 120 7.104 19.910 0.153 1.00 1.43 H new ATOM 499 N LEU A 121 13.247 18.525 -4.188 1.00 0.87 N ATOM 500 CA LEU A 121 14.076 17.610 -5.038 1.00 0.95 C ATOM 501 C LEU A 121 15.488 18.191 -5.238 1.00 0.87 C ATOM 502 O LEU A 121 16.399 17.487 -5.623 1.00 0.97 O ATOM 503 CB LEU A 121 13.335 17.521 -6.381 1.00 1.09 C ATOM 504 CG LEU A 121 12.913 16.071 -6.671 1.00 1.41 C ATOM 505 CD1 LEU A 121 14.153 15.210 -6.918 1.00 2.03 C ATOM 506 CD2 LEU A 121 12.126 15.497 -5.486 1.00 1.80 C ATOM 0 H LEU A 121 12.499 19.010 -4.684 1.00 0.87 H new ATOM 0 HA LEU A 121 14.201 16.630 -4.577 1.00 0.95 H new ATOM 0 HB2 LEU A 121 12.455 18.164 -6.361 1.00 1.09 H new ATOM 0 HB3 LEU A 121 13.978 17.886 -7.182 1.00 1.09 H new ATOM 0 HG LEU A 121 12.279 16.064 -7.558 1.00 1.41 H new ATOM 0 HD11 LEU A 121 13.848 14.184 -7.123 1.00 2.03 H new ATOM 0 HD12 LEU A 121 14.704 15.602 -7.773 1.00 2.03 H new ATOM 0 HD13 LEU A 121 14.791 15.229 -6.035 1.00 2.03 H new ATOM 0 HD21 LEU A 121 11.834 14.470 -5.706 1.00 1.80 H new ATOM 0 HD22 LEU A 121 12.750 15.513 -4.593 1.00 1.80 H new ATOM 0 HD23 LEU A 121 11.234 16.099 -5.316 1.00 1.80 H new ATOM 518 N GLN A 122 15.679 19.467 -4.971 1.00 0.82 N ATOM 519 CA GLN A 122 17.039 20.079 -5.132 1.00 0.95 C ATOM 520 C GLN A 122 18.028 19.395 -4.181 1.00 1.04 C ATOM 521 O GLN A 122 19.190 19.226 -4.498 1.00 1.19 O ATOM 522 CB GLN A 122 16.875 21.559 -4.764 1.00 1.14 C ATOM 523 CG GLN A 122 17.650 22.430 -5.760 1.00 1.42 C ATOM 524 CD GLN A 122 17.205 23.887 -5.617 1.00 1.85 C ATOM 525 OE1 GLN A 122 17.914 24.699 -5.059 1.00 2.44 O ATOM 526 NE2 GLN A 122 16.052 24.256 -6.101 1.00 2.28 N ATOM 0 H GLN A 122 14.953 20.107 -4.650 1.00 0.82 H new ATOM 0 HA GLN A 122 17.425 19.963 -6.145 1.00 0.95 H new ATOM 0 HB2 GLN A 122 15.819 21.831 -4.773 1.00 1.14 H new ATOM 0 HB3 GLN A 122 17.240 21.734 -3.752 1.00 1.14 H new ATOM 0 HG2 GLN A 122 18.721 22.346 -5.576 1.00 1.42 H new ATOM 0 HG3 GLN A 122 17.473 22.083 -6.778 1.00 1.42 H new ATOM 0 HE21 GLN A 122 15.455 23.575 -6.570 1.00 2.28 H new ATOM 0 HE22 GLN A 122 15.747 25.225 -6.010 1.00 2.28 H new ATOM 535 N ALA A 123 17.564 18.985 -3.021 1.00 1.09 N ATOM 536 CA ALA A 123 18.459 18.290 -2.045 1.00 1.33 C ATOM 537 C ALA A 123 18.983 16.981 -2.654 1.00 1.38 C ATOM 538 O ALA A 123 20.132 16.624 -2.480 1.00 1.62 O ATOM 539 CB ALA A 123 17.576 18.006 -0.828 1.00 1.45 C ATOM 0 H ALA A 123 16.600 19.104 -2.710 1.00 1.09 H new ATOM 0 HA ALA A 123 19.330 18.889 -1.780 1.00 1.33 H new ATOM 0 HB1 ALA A 123 18.162 17.495 -0.064 1.00 1.45 H new ATOM 0 HB2 ALA A 123 17.197 18.946 -0.426 1.00 1.45 H new ATOM 0 HB3 ALA A 123 16.739 17.374 -1.125 1.00 1.45 H new ATOM 545 N THR A 124 18.148 16.276 -3.381 1.00 1.29 N ATOM 546 CA THR A 124 18.597 14.999 -4.024 1.00 1.47 C ATOM 547 C THR A 124 19.241 15.294 -5.389 1.00 1.44 C ATOM 548 O THR A 124 20.142 14.600 -5.816 1.00 1.72 O ATOM 549 CB THR A 124 17.328 14.151 -4.204 1.00 1.56 C ATOM 550 OG1 THR A 124 16.252 14.976 -4.631 1.00 2.16 O ATOM 551 CG2 THR A 124 16.956 13.484 -2.879 1.00 1.92 C ATOM 0 H THR A 124 17.176 16.529 -3.557 1.00 1.29 H new ATOM 0 HA THR A 124 19.341 14.481 -3.418 1.00 1.47 H new ATOM 0 HB THR A 124 17.520 13.385 -4.956 1.00 1.56 H new ATOM 0 HG1 THR A 124 16.607 15.767 -5.087 1.00 2.16 H new ATOM 0 HG21 THR A 124 16.056 12.884 -3.014 1.00 1.92 H new ATOM 0 HG22 THR A 124 17.774 12.842 -2.553 1.00 1.92 H new ATOM 0 HG23 THR A 124 16.773 14.250 -2.125 1.00 1.92 H new ATOM 559 N GLY A 125 18.787 16.323 -6.075 1.00 1.26 N ATOM 560 CA GLY A 125 19.378 16.666 -7.405 1.00 1.32 C ATOM 561 C GLY A 125 18.271 16.852 -8.449 1.00 1.26 C ATOM 562 O GLY A 125 17.926 15.930 -9.164 1.00 1.63 O ATOM 0 H GLY A 125 18.033 16.937 -5.767 1.00 1.26 H new ATOM 0 HA2 GLY A 125 19.967 17.579 -7.324 1.00 1.32 H new ATOM 0 HA3 GLY A 125 20.058 15.875 -7.723 1.00 1.32 H new ATOM 566 N GLU A 126 17.722 18.040 -8.557 1.00 1.02 N ATOM 567 CA GLU A 126 16.645 18.280 -9.575 1.00 1.08 C ATOM 568 C GLU A 126 17.253 18.867 -10.862 1.00 0.89 C ATOM 569 O GLU A 126 16.960 19.977 -11.263 1.00 0.87 O ATOM 570 CB GLU A 126 15.651 19.255 -8.914 1.00 1.34 C ATOM 571 CG GLU A 126 16.317 20.612 -8.636 1.00 1.45 C ATOM 572 CD GLU A 126 15.364 21.750 -9.025 1.00 1.61 C ATOM 573 OE1 GLU A 126 14.973 21.805 -10.179 1.00 2.16 O ATOM 574 OE2 GLU A 126 15.045 22.550 -8.162 1.00 2.09 O ATOM 0 H GLU A 126 17.970 18.850 -7.989 1.00 1.02 H new ATOM 0 HA GLU A 126 16.141 17.359 -9.867 1.00 1.08 H new ATOM 0 HB2 GLU A 126 14.787 19.396 -9.563 1.00 1.34 H new ATOM 0 HB3 GLU A 126 15.283 18.828 -7.981 1.00 1.34 H new ATOM 0 HG2 GLU A 126 16.578 20.689 -7.581 1.00 1.45 H new ATOM 0 HG3 GLU A 126 17.245 20.694 -9.201 1.00 1.45 H new ATOM 581 N THR A 127 18.097 18.111 -11.519 1.00 1.09 N ATOM 582 CA THR A 127 18.728 18.606 -12.784 1.00 1.21 C ATOM 583 C THR A 127 17.801 18.309 -13.972 1.00 1.29 C ATOM 584 O THR A 127 18.080 17.473 -14.812 1.00 1.60 O ATOM 585 CB THR A 127 20.077 17.864 -12.896 1.00 1.57 C ATOM 586 OG1 THR A 127 20.719 18.232 -14.110 1.00 1.91 O ATOM 587 CG2 THR A 127 19.872 16.342 -12.870 1.00 2.18 C ATOM 0 H THR A 127 18.377 17.172 -11.235 1.00 1.09 H new ATOM 0 HA THR A 127 18.890 19.684 -12.782 1.00 1.21 H new ATOM 0 HB THR A 127 20.696 18.144 -12.044 1.00 1.57 H new ATOM 0 HG1 THR A 127 21.576 17.763 -14.182 1.00 1.91 H new ATOM 0 HG21 THR A 127 20.838 15.843 -12.950 1.00 2.18 H new ATOM 0 HG22 THR A 127 19.392 16.055 -11.934 1.00 2.18 H new ATOM 0 HG23 THR A 127 19.240 16.046 -13.707 1.00 2.18 H new ATOM 595 N ILE A 128 16.683 18.990 -14.029 1.00 1.08 N ATOM 596 CA ILE A 128 15.705 18.758 -15.137 1.00 1.20 C ATOM 597 C ILE A 128 15.166 20.099 -15.669 1.00 1.18 C ATOM 598 O ILE A 128 15.600 21.158 -15.255 1.00 1.15 O ATOM 599 CB ILE A 128 14.583 17.925 -14.494 1.00 1.12 C ATOM 600 CG1 ILE A 128 13.974 18.696 -13.310 1.00 1.32 C ATOM 601 CG2 ILE A 128 15.152 16.590 -13.998 1.00 1.62 C ATOM 602 CD1 ILE A 128 12.877 17.858 -12.645 1.00 2.03 C ATOM 0 H ILE A 128 16.404 19.700 -13.352 1.00 1.08 H new ATOM 0 HA ILE A 128 16.152 18.249 -15.991 1.00 1.20 H new ATOM 0 HB ILE A 128 13.808 17.736 -15.237 1.00 1.12 H new ATOM 0 HG12 ILE A 128 14.751 18.935 -12.584 1.00 1.32 H new ATOM 0 HG13 ILE A 128 13.560 19.643 -13.657 1.00 1.32 H new ATOM 0 HG21 ILE A 128 14.355 16.002 -13.543 1.00 1.62 H new ATOM 0 HG22 ILE A 128 15.575 16.040 -14.839 1.00 1.62 H new ATOM 0 HG23 ILE A 128 15.931 16.779 -13.259 1.00 1.62 H new ATOM 0 HD11 ILE A 128 12.452 18.413 -11.808 1.00 2.03 H new ATOM 0 HD12 ILE A 128 12.094 17.641 -13.372 1.00 2.03 H new ATOM 0 HD13 ILE A 128 13.303 16.923 -12.282 1.00 2.03 H new ATOM 614 N THR A 129 14.226 20.061 -16.586 1.00 1.34 N ATOM 615 CA THR A 129 13.663 21.336 -17.142 1.00 1.42 C ATOM 616 C THR A 129 12.330 21.684 -16.450 1.00 1.16 C ATOM 617 O THR A 129 11.780 20.886 -15.714 1.00 0.97 O ATOM 618 CB THR A 129 13.488 21.072 -18.651 1.00 1.64 C ATOM 619 OG1 THR A 129 13.819 22.249 -19.374 1.00 2.23 O ATOM 620 CG2 THR A 129 12.046 20.668 -18.977 1.00 2.28 C ATOM 0 H THR A 129 13.826 19.206 -16.972 1.00 1.34 H new ATOM 0 HA THR A 129 14.313 22.194 -16.970 1.00 1.42 H new ATOM 0 HB THR A 129 14.149 20.254 -18.937 1.00 1.64 H new ATOM 0 HG1 THR A 129 13.256 22.990 -19.067 1.00 2.23 H new ATOM 0 HG21 THR A 129 11.952 20.488 -20.048 1.00 2.28 H new ATOM 0 HG22 THR A 129 11.791 19.759 -18.432 1.00 2.28 H new ATOM 0 HG23 THR A 129 11.368 21.469 -18.683 1.00 2.28 H new ATOM 628 N GLU A 130 11.825 22.880 -16.665 1.00 1.31 N ATOM 629 CA GLU A 130 10.539 23.311 -16.004 1.00 1.28 C ATOM 630 C GLU A 130 9.409 22.278 -16.189 1.00 1.16 C ATOM 631 O GLU A 130 8.640 22.039 -15.276 1.00 1.21 O ATOM 632 CB GLU A 130 10.160 24.658 -16.645 1.00 1.69 C ATOM 633 CG GLU A 130 10.161 24.550 -18.175 1.00 2.05 C ATOM 634 CD GLU A 130 11.313 25.376 -18.750 1.00 2.43 C ATOM 635 OE1 GLU A 130 12.406 24.843 -18.843 1.00 2.70 O ATOM 636 OE2 GLU A 130 11.082 26.525 -19.090 1.00 3.03 O ATOM 0 H GLU A 130 12.248 23.582 -17.272 1.00 1.31 H new ATOM 0 HA GLU A 130 10.679 23.400 -14.927 1.00 1.28 H new ATOM 0 HB2 GLU A 130 9.174 24.967 -16.298 1.00 1.69 H new ATOM 0 HB3 GLU A 130 10.864 25.428 -16.329 1.00 1.69 H new ATOM 0 HG2 GLU A 130 10.263 23.507 -18.475 1.00 2.05 H new ATOM 0 HG3 GLU A 130 9.211 24.905 -18.575 1.00 2.05 H new ATOM 643 N ASP A 131 9.300 21.659 -17.342 1.00 1.18 N ATOM 644 CA ASP A 131 8.217 20.642 -17.545 1.00 1.19 C ATOM 645 C ASP A 131 8.462 19.421 -16.648 1.00 1.07 C ATOM 646 O ASP A 131 7.535 18.856 -16.098 1.00 1.14 O ATOM 647 CB ASP A 131 8.289 20.249 -19.021 1.00 1.44 C ATOM 648 CG ASP A 131 6.954 19.630 -19.445 1.00 1.48 C ATOM 649 OD1 ASP A 131 5.970 20.350 -19.476 1.00 2.07 O ATOM 650 OD2 ASP A 131 6.938 18.447 -19.728 1.00 1.91 O ATOM 0 H ASP A 131 9.909 21.812 -18.146 1.00 1.18 H new ATOM 0 HA ASP A 131 7.235 21.038 -17.286 1.00 1.19 H new ATOM 0 HB2 ASP A 131 8.508 21.125 -19.632 1.00 1.44 H new ATOM 0 HB3 ASP A 131 9.100 19.538 -19.181 1.00 1.44 H new ATOM 655 N ASP A 132 9.704 19.025 -16.479 1.00 1.00 N ATOM 656 CA ASP A 132 10.010 17.856 -15.597 1.00 1.03 C ATOM 657 C ASP A 132 9.631 18.198 -14.150 1.00 0.88 C ATOM 658 O ASP A 132 9.167 17.352 -13.407 1.00 1.03 O ATOM 659 CB ASP A 132 11.519 17.623 -15.730 1.00 1.13 C ATOM 660 CG ASP A 132 11.863 17.212 -17.166 1.00 1.39 C ATOM 661 OD1 ASP A 132 11.258 16.275 -17.659 1.00 1.99 O ATOM 662 OD2 ASP A 132 12.731 17.843 -17.745 1.00 1.79 O ATOM 0 H ASP A 132 10.516 19.462 -16.914 1.00 1.00 H new ATOM 0 HA ASP A 132 9.451 16.963 -15.877 1.00 1.03 H new ATOM 0 HB2 ASP A 132 12.060 18.531 -15.464 1.00 1.13 H new ATOM 0 HB3 ASP A 132 11.838 16.846 -15.035 1.00 1.13 H new ATOM 667 N ILE A 133 9.787 19.445 -13.757 1.00 0.75 N ATOM 668 CA ILE A 133 9.390 19.851 -12.371 1.00 0.77 C ATOM 669 C ILE A 133 7.882 19.621 -12.226 1.00 0.70 C ATOM 670 O ILE A 133 7.411 19.057 -11.255 1.00 0.82 O ATOM 671 CB ILE A 133 9.708 21.352 -12.253 1.00 0.87 C ATOM 672 CG1 ILE A 133 11.179 21.621 -12.607 1.00 0.96 C ATOM 673 CG2 ILE A 133 9.442 21.820 -10.820 1.00 1.06 C ATOM 674 CD1 ILE A 133 12.100 20.980 -11.561 1.00 1.00 C ATOM 0 H ILE A 133 10.170 20.193 -14.335 1.00 0.75 H new ATOM 0 HA ILE A 133 9.914 19.285 -11.601 1.00 0.77 H new ATOM 0 HB ILE A 133 9.071 21.899 -12.948 1.00 0.87 H new ATOM 0 HG12 ILE A 133 11.403 21.218 -13.595 1.00 0.96 H new ATOM 0 HG13 ILE A 133 11.360 22.695 -12.652 1.00 0.96 H new ATOM 0 HG21 ILE A 133 9.667 22.883 -10.737 1.00 1.06 H new ATOM 0 HG22 ILE A 133 8.395 21.650 -10.570 1.00 1.06 H new ATOM 0 HG23 ILE A 133 10.074 21.260 -10.131 1.00 1.06 H new ATOM 0 HD11 ILE A 133 13.140 21.177 -11.822 1.00 1.00 H new ATOM 0 HD12 ILE A 133 11.886 21.403 -10.580 1.00 1.00 H new ATOM 0 HD13 ILE A 133 11.930 19.904 -11.537 1.00 1.00 H new ATOM 686 N GLU A 134 7.134 20.045 -13.217 1.00 0.61 N ATOM 687 CA GLU A 134 5.655 19.858 -13.203 1.00 0.64 C ATOM 688 C GLU A 134 5.290 18.387 -13.464 1.00 0.64 C ATOM 689 O GLU A 134 4.185 17.969 -13.186 1.00 0.76 O ATOM 690 CB GLU A 134 5.138 20.756 -14.330 1.00 0.73 C ATOM 691 CG GLU A 134 4.609 22.062 -13.731 1.00 0.89 C ATOM 692 CD GLU A 134 3.084 21.987 -13.587 1.00 1.21 C ATOM 693 OE1 GLU A 134 2.596 20.973 -13.110 1.00 1.87 O ATOM 694 OE2 GLU A 134 2.428 22.948 -13.953 1.00 1.86 O ATOM 0 H GLU A 134 7.495 20.519 -14.045 1.00 0.61 H new ATOM 0 HA GLU A 134 5.216 20.115 -12.239 1.00 0.64 H new ATOM 0 HB2 GLU A 134 5.938 20.965 -15.040 1.00 0.73 H new ATOM 0 HB3 GLU A 134 4.347 20.248 -14.882 1.00 0.73 H new ATOM 0 HG2 GLU A 134 5.067 22.238 -12.758 1.00 0.89 H new ATOM 0 HG3 GLU A 134 4.882 22.902 -14.369 1.00 0.89 H new ATOM 701 N GLU A 135 6.205 17.594 -13.983 1.00 0.59 N ATOM 702 CA GLU A 135 5.891 16.151 -14.236 1.00 0.67 C ATOM 703 C GLU A 135 5.458 15.487 -12.926 1.00 0.74 C ATOM 704 O GLU A 135 4.418 14.860 -12.857 1.00 0.91 O ATOM 705 CB GLU A 135 7.189 15.529 -14.763 1.00 0.72 C ATOM 706 CG GLU A 135 6.880 14.637 -15.970 1.00 1.16 C ATOM 707 CD GLU A 135 6.389 15.498 -17.136 1.00 1.56 C ATOM 708 OE1 GLU A 135 7.223 16.038 -17.841 1.00 2.29 O ATOM 709 OE2 GLU A 135 5.184 15.601 -17.302 1.00 2.03 O ATOM 0 H GLU A 135 7.149 17.884 -14.240 1.00 0.59 H new ATOM 0 HA GLU A 135 5.078 16.021 -14.951 1.00 0.67 H new ATOM 0 HB2 GLU A 135 7.890 16.313 -15.048 1.00 0.72 H new ATOM 0 HB3 GLU A 135 7.668 14.943 -13.978 1.00 0.72 H new ATOM 0 HG2 GLU A 135 7.772 14.085 -16.264 1.00 1.16 H new ATOM 0 HG3 GLU A 135 6.122 13.900 -15.705 1.00 1.16 H new ATOM 716 N LEU A 136 6.232 15.649 -11.876 1.00 0.73 N ATOM 717 CA LEU A 136 5.838 15.053 -10.562 1.00 0.87 C ATOM 718 C LEU A 136 4.575 15.763 -10.040 1.00 0.81 C ATOM 719 O LEU A 136 3.812 15.201 -9.278 1.00 1.00 O ATOM 720 CB LEU A 136 7.027 15.288 -9.612 1.00 0.99 C ATOM 721 CG LEU A 136 8.254 14.438 -10.014 1.00 1.09 C ATOM 722 CD1 LEU A 136 8.883 13.821 -8.758 1.00 1.74 C ATOM 723 CD2 LEU A 136 7.854 13.305 -10.970 1.00 1.75 C ATOM 0 H LEU A 136 7.112 16.164 -11.874 1.00 0.73 H new ATOM 0 HA LEU A 136 5.612 13.990 -10.643 1.00 0.87 H new ATOM 0 HB2 LEU A 136 7.297 16.344 -9.620 1.00 0.99 H new ATOM 0 HB3 LEU A 136 6.732 15.042 -8.592 1.00 0.99 H new ATOM 0 HG LEU A 136 8.967 15.091 -10.518 1.00 1.09 H new ATOM 0 HD11 LEU A 136 9.748 13.222 -9.041 1.00 1.74 H new ATOM 0 HD12 LEU A 136 9.198 14.615 -8.081 1.00 1.74 H new ATOM 0 HD13 LEU A 136 8.151 13.187 -8.258 1.00 1.74 H new ATOM 0 HD21 LEU A 136 8.737 12.724 -11.236 1.00 1.75 H new ATOM 0 HD22 LEU A 136 7.127 12.657 -10.482 1.00 1.75 H new ATOM 0 HD23 LEU A 136 7.414 13.729 -11.873 1.00 1.75 H new ATOM 735 N MET A 137 4.343 16.991 -10.461 1.00 0.67 N ATOM 736 CA MET A 137 3.123 17.732 -10.008 1.00 0.71 C ATOM 737 C MET A 137 1.890 17.252 -10.787 1.00 0.68 C ATOM 738 O MET A 137 0.820 17.141 -10.235 1.00 0.70 O ATOM 739 CB MET A 137 3.400 19.210 -10.300 1.00 0.82 C ATOM 740 CG MET A 137 2.927 20.060 -9.118 1.00 0.99 C ATOM 741 SD MET A 137 1.151 20.381 -9.263 1.00 0.94 S ATOM 742 CE MET A 137 0.895 21.032 -7.591 1.00 0.53 C ATOM 0 H MET A 137 4.949 17.508 -11.099 1.00 0.67 H new ATOM 0 HA MET A 137 2.920 17.566 -8.950 1.00 0.71 H new ATOM 0 HB2 MET A 137 4.465 19.365 -10.470 1.00 0.82 H new ATOM 0 HB3 MET A 137 2.884 19.515 -11.211 1.00 0.82 H new ATOM 0 HG2 MET A 137 3.137 19.545 -8.181 1.00 0.99 H new ATOM 0 HG3 MET A 137 3.475 21.002 -9.094 1.00 0.99 H new ATOM 0 HE1 MET A 137 -0.022 20.615 -7.174 1.00 0.53 H new ATOM 0 HE2 MET A 137 1.739 20.755 -6.960 1.00 0.53 H new ATOM 0 HE3 MET A 137 0.813 22.118 -7.632 1.00 0.53 H new ATOM 752 N LYS A 138 2.031 16.953 -12.059 1.00 0.76 N ATOM 753 CA LYS A 138 0.853 16.461 -12.847 1.00 0.82 C ATOM 754 C LYS A 138 0.380 15.130 -12.258 1.00 0.72 C ATOM 755 O LYS A 138 -0.778 14.966 -11.926 1.00 0.84 O ATOM 756 CB LYS A 138 1.357 16.262 -14.278 1.00 0.99 C ATOM 757 CG LYS A 138 1.492 17.623 -14.969 1.00 1.57 C ATOM 758 CD LYS A 138 2.291 17.469 -16.268 1.00 2.09 C ATOM 759 CE LYS A 138 3.313 18.607 -16.382 1.00 2.74 C ATOM 760 NZ LYS A 138 4.187 18.238 -17.535 1.00 3.43 N1+ ATOM 0 H LYS A 138 2.904 17.028 -12.582 1.00 0.76 H new ATOM 0 HA LYS A 138 0.016 17.159 -12.821 1.00 0.82 H new ATOM 0 HB2 LYS A 138 2.320 15.751 -14.268 1.00 0.99 H new ATOM 0 HB3 LYS A 138 0.666 15.628 -14.833 1.00 0.99 H new ATOM 0 HG2 LYS A 138 0.505 18.031 -15.185 1.00 1.57 H new ATOM 0 HG3 LYS A 138 1.991 18.330 -14.306 1.00 1.57 H new ATOM 0 HD2 LYS A 138 2.801 16.506 -16.281 1.00 2.09 H new ATOM 0 HD3 LYS A 138 1.618 17.484 -17.125 1.00 2.09 H new ATOM 0 HE2 LYS A 138 2.819 19.563 -16.553 1.00 2.74 H new ATOM 0 HE3 LYS A 138 3.893 18.708 -15.465 1.00 2.74 H new ATOM 0 HZ1 LYS A 138 4.989 18.898 -17.588 1.00 3.43 H new ATOM 0 HZ2 LYS A 138 4.543 17.270 -17.405 1.00 3.43 H new ATOM 0 HZ3 LYS A 138 3.638 18.289 -18.417 1.00 3.43 H new ATOM 774 N ASP A 139 1.279 14.187 -12.098 1.00 0.75 N ATOM 775 CA ASP A 139 0.893 12.876 -11.496 1.00 0.78 C ATOM 776 C ASP A 139 0.508 13.087 -10.023 1.00 0.70 C ATOM 777 O ASP A 139 -0.314 12.374 -9.480 1.00 0.81 O ATOM 778 CB ASP A 139 2.131 11.986 -11.628 1.00 0.97 C ATOM 779 CG ASP A 139 1.697 10.522 -11.723 1.00 1.16 C ATOM 780 OD1 ASP A 139 1.274 10.119 -12.793 1.00 1.66 O ATOM 781 OD2 ASP A 139 1.795 9.829 -10.725 1.00 1.69 O ATOM 0 H ASP A 139 2.262 14.271 -12.359 1.00 0.75 H new ATOM 0 HA ASP A 139 0.034 12.420 -11.989 1.00 0.78 H new ATOM 0 HB2 ASP A 139 2.701 12.266 -12.514 1.00 0.97 H new ATOM 0 HB3 ASP A 139 2.787 12.127 -10.769 1.00 0.97 H new ATOM 786 N GLY A 140 1.069 14.091 -9.386 1.00 0.64 N ATOM 787 CA GLY A 140 0.704 14.382 -7.969 1.00 0.62 C ATOM 788 C GLY A 140 -0.676 15.041 -7.980 1.00 0.57 C ATOM 789 O GLY A 140 -1.663 14.442 -7.603 1.00 0.65 O ATOM 0 H GLY A 140 1.764 14.719 -9.791 1.00 0.64 H new ATOM 0 HA2 GLY A 140 0.687 13.465 -7.381 1.00 0.62 H new ATOM 0 HA3 GLY A 140 1.441 15.041 -7.510 1.00 0.62 H new ATOM 793 N ASP A 141 -0.750 16.255 -8.461 1.00 0.56 N ATOM 794 CA ASP A 141 -2.058 16.965 -8.559 1.00 0.56 C ATOM 795 C ASP A 141 -2.543 16.916 -10.013 1.00 0.58 C ATOM 796 O ASP A 141 -2.220 17.775 -10.813 1.00 0.64 O ATOM 797 CB ASP A 141 -1.767 18.412 -8.132 1.00 0.60 C ATOM 798 CG ASP A 141 -3.058 19.249 -8.108 1.00 0.75 C ATOM 799 OD1 ASP A 141 -4.134 18.674 -8.174 1.00 1.14 O ATOM 800 OD2 ASP A 141 -2.947 20.458 -8.024 1.00 1.23 O ATOM 0 H ASP A 141 0.052 16.791 -8.794 1.00 0.56 H new ATOM 0 HA ASP A 141 -2.832 16.517 -7.935 1.00 0.56 H new ATOM 0 HB2 ASP A 141 -1.307 18.418 -7.144 1.00 0.60 H new ATOM 0 HB3 ASP A 141 -1.051 18.861 -8.820 1.00 0.60 H new ATOM 805 N LYS A 142 -3.312 15.915 -10.361 1.00 0.62 N ATOM 806 CA LYS A 142 -3.819 15.809 -11.768 1.00 0.70 C ATOM 807 C LYS A 142 -4.782 16.965 -12.084 1.00 0.79 C ATOM 808 O LYS A 142 -5.081 17.233 -13.232 1.00 0.92 O ATOM 809 CB LYS A 142 -4.533 14.456 -11.848 1.00 0.79 C ATOM 810 CG LYS A 142 -3.731 13.512 -12.752 1.00 0.88 C ATOM 811 CD LYS A 142 -3.710 12.106 -12.141 1.00 1.37 C ATOM 812 CE LYS A 142 -2.579 12.003 -11.112 1.00 1.79 C ATOM 813 NZ LYS A 142 -1.887 10.716 -11.419 1.00 2.44 N1+ ATOM 0 H LYS A 142 -3.611 15.167 -9.735 1.00 0.62 H new ATOM 0 HA LYS A 142 -3.011 15.874 -12.497 1.00 0.70 H new ATOM 0 HB2 LYS A 142 -4.634 14.026 -10.852 1.00 0.79 H new ATOM 0 HB3 LYS A 142 -5.541 14.586 -12.242 1.00 0.79 H new ATOM 0 HG2 LYS A 142 -4.176 13.480 -13.747 1.00 0.88 H new ATOM 0 HG3 LYS A 142 -2.713 13.883 -12.870 1.00 0.88 H new ATOM 0 HD2 LYS A 142 -4.667 11.892 -11.665 1.00 1.37 H new ATOM 0 HD3 LYS A 142 -3.570 11.361 -12.924 1.00 1.37 H new ATOM 0 HE2 LYS A 142 -1.894 12.847 -11.193 1.00 1.79 H new ATOM 0 HE3 LYS A 142 -2.970 12.007 -10.095 1.00 1.79 H new ATOM 0 HZ1 LYS A 142 -0.973 10.687 -10.924 1.00 2.44 H new ATOM 0 HZ2 LYS A 142 -2.477 9.920 -11.103 1.00 2.44 H new ATOM 0 HZ3 LYS A 142 -1.728 10.643 -12.444 1.00 2.44 H new ATOM 827 N ASN A 143 -5.246 17.668 -11.077 1.00 0.80 N ATOM 828 CA ASN A 143 -6.161 18.826 -11.319 1.00 0.95 C ATOM 829 C ASN A 143 -5.324 20.095 -11.536 1.00 0.92 C ATOM 830 O ASN A 143 -5.771 21.040 -12.157 1.00 1.08 O ATOM 831 CB ASN A 143 -7.019 18.980 -10.049 1.00 1.07 C ATOM 832 CG ASN A 143 -7.289 17.618 -9.405 1.00 1.36 C ATOM 833 OD1 ASN A 143 -8.040 16.821 -9.929 1.00 1.95 O ATOM 834 ND2 ASN A 143 -6.700 17.312 -8.281 1.00 1.70 N ATOM 0 H ASN A 143 -5.029 17.488 -10.097 1.00 0.80 H new ATOM 0 HA ASN A 143 -6.785 18.668 -12.198 1.00 0.95 H new ATOM 0 HB2 ASN A 143 -6.509 19.629 -9.337 1.00 1.07 H new ATOM 0 HB3 ASN A 143 -7.964 19.462 -10.300 1.00 1.07 H new ATOM 0 HD21 ASN A 143 -6.871 16.406 -7.846 1.00 1.70 H new ATOM 0 HD22 ASN A 143 -6.068 17.979 -7.838 1.00 1.70 H new ATOM 841 N ASN A 144 -4.111 20.115 -11.015 1.00 0.86 N ATOM 842 CA ASN A 144 -3.220 21.310 -11.163 1.00 0.93 C ATOM 843 C ASN A 144 -3.955 22.583 -10.715 1.00 1.03 C ATOM 844 O ASN A 144 -4.049 23.553 -11.445 1.00 1.71 O ATOM 845 CB ASN A 144 -2.859 21.363 -12.652 1.00 1.08 C ATOM 846 CG ASN A 144 -1.738 20.362 -12.953 1.00 1.49 C ATOM 847 OD1 ASN A 144 -1.934 19.420 -13.693 1.00 2.18 O ATOM 848 ND2 ASN A 144 -0.564 20.528 -12.410 1.00 1.97 N ATOM 0 H ASN A 144 -3.701 19.343 -10.489 1.00 0.86 H new ATOM 0 HA ASN A 144 -2.326 21.240 -10.543 1.00 0.93 H new ATOM 0 HB2 ASN A 144 -3.736 21.132 -13.256 1.00 1.08 H new ATOM 0 HB3 ASN A 144 -2.542 22.370 -12.923 1.00 1.08 H new ATOM 0 HD21 ASN A 144 0.187 19.867 -12.607 1.00 1.97 H new ATOM 0 HD22 ASN A 144 -0.397 21.319 -11.788 1.00 1.97 H new ATOM 855 N ASP A 145 -4.471 22.580 -9.510 1.00 0.88 N ATOM 856 CA ASP A 145 -5.203 23.784 -8.993 1.00 0.92 C ATOM 857 C ASP A 145 -4.266 24.702 -8.190 1.00 0.91 C ATOM 858 O ASP A 145 -4.716 25.568 -7.461 1.00 1.07 O ATOM 859 CB ASP A 145 -6.331 23.241 -8.096 1.00 0.93 C ATOM 860 CG ASP A 145 -5.805 22.143 -7.162 1.00 1.40 C ATOM 861 OD1 ASP A 145 -5.038 22.460 -6.266 1.00 1.89 O ATOM 862 OD2 ASP A 145 -6.179 21.001 -7.362 1.00 2.06 O ATOM 0 H ASP A 145 -4.418 21.796 -8.860 1.00 0.88 H new ATOM 0 HA ASP A 145 -5.596 24.386 -9.813 1.00 0.92 H new ATOM 0 HB2 ASP A 145 -6.756 24.053 -7.506 1.00 0.93 H new ATOM 0 HB3 ASP A 145 -7.135 22.843 -8.716 1.00 0.93 H new ATOM 867 N GLY A 146 -2.971 24.533 -8.323 1.00 0.84 N ATOM 868 CA GLY A 146 -2.018 25.408 -7.577 1.00 0.92 C ATOM 869 C GLY A 146 -1.271 24.614 -6.498 1.00 0.66 C ATOM 870 O GLY A 146 -0.153 24.948 -6.156 1.00 0.74 O ATOM 0 H GLY A 146 -2.536 23.827 -8.916 1.00 0.84 H new ATOM 0 HA2 GLY A 146 -1.302 25.847 -8.272 1.00 0.92 H new ATOM 0 HA3 GLY A 146 -2.561 26.233 -7.116 1.00 0.92 H new ATOM 874 N ARG A 147 -1.864 23.576 -5.949 1.00 0.56 N ATOM 875 CA ARG A 147 -1.148 22.799 -4.886 1.00 0.54 C ATOM 876 C ARG A 147 -1.529 21.308 -4.893 1.00 0.46 C ATOM 877 O ARG A 147 -2.636 20.928 -5.229 1.00 0.45 O ATOM 878 CB ARG A 147 -1.565 23.451 -3.562 1.00 0.77 C ATOM 879 CG ARG A 147 -3.004 23.054 -3.209 1.00 1.39 C ATOM 880 CD ARG A 147 -3.642 24.149 -2.352 1.00 1.79 C ATOM 881 NE ARG A 147 -3.947 25.253 -3.309 1.00 2.55 N ATOM 882 CZ ARG A 147 -5.170 25.453 -3.714 1.00 2.87 C ATOM 883 NH1 ARG A 147 -5.634 24.784 -4.730 1.00 3.37 N1+ ATOM 884 NH2 ARG A 147 -5.924 26.323 -3.104 1.00 3.10 N ATOM 0 H ARG A 147 -2.797 23.239 -6.187 1.00 0.56 H new ATOM 0 HA ARG A 147 -0.070 22.826 -5.048 1.00 0.54 H new ATOM 0 HB2 ARG A 147 -0.888 23.141 -2.766 1.00 0.77 H new ATOM 0 HB3 ARG A 147 -1.488 24.535 -3.641 1.00 0.77 H new ATOM 0 HG2 ARG A 147 -3.585 22.906 -4.119 1.00 1.39 H new ATOM 0 HG3 ARG A 147 -3.009 22.107 -2.670 1.00 1.39 H new ATOM 0 HD2 ARG A 147 -4.546 23.790 -1.861 1.00 1.79 H new ATOM 0 HD3 ARG A 147 -2.964 24.482 -1.567 1.00 1.79 H new ATOM 0 HE ARG A 147 -3.195 25.854 -3.648 1.00 2.55 H new ATOM 0 HH11 ARG A 147 -5.041 24.105 -5.207 1.00 3.37 H new ATOM 0 HH12 ARG A 147 -6.591 24.939 -5.049 1.00 3.37 H new ATOM 0 HH21 ARG A 147 -5.557 26.848 -2.310 1.00 3.10 H new ATOM 0 HH22 ARG A 147 -6.881 26.480 -3.421 1.00 3.10 H new ATOM 898 N ILE A 148 -0.606 20.475 -4.485 1.00 0.49 N ATOM 899 CA ILE A 148 -0.859 19.003 -4.412 1.00 0.44 C ATOM 900 C ILE A 148 -1.517 18.688 -3.057 1.00 0.46 C ATOM 901 O ILE A 148 -1.112 19.205 -2.030 1.00 0.63 O ATOM 902 CB ILE A 148 0.549 18.386 -4.552 1.00 0.46 C ATOM 903 CG1 ILE A 148 0.756 17.903 -5.989 1.00 0.56 C ATOM 904 CG2 ILE A 148 0.754 17.203 -3.606 1.00 0.47 C ATOM 905 CD1 ILE A 148 2.247 17.672 -6.235 1.00 0.63 C ATOM 0 H ILE A 148 0.330 20.758 -4.194 1.00 0.49 H new ATOM 0 HA ILE A 148 -1.532 18.612 -5.175 1.00 0.44 H new ATOM 0 HB ILE A 148 1.271 19.161 -4.294 1.00 0.46 H new ATOM 0 HG12 ILE A 148 0.201 16.980 -6.158 1.00 0.56 H new ATOM 0 HG13 ILE A 148 0.370 18.641 -6.692 1.00 0.56 H new ATOM 0 HG21 ILE A 148 1.758 16.800 -3.739 1.00 0.47 H new ATOM 0 HG22 ILE A 148 0.630 17.536 -2.575 1.00 0.47 H new ATOM 0 HG23 ILE A 148 0.020 16.428 -3.828 1.00 0.47 H new ATOM 0 HD11 ILE A 148 2.398 17.328 -7.258 1.00 0.63 H new ATOM 0 HD12 ILE A 148 2.790 18.605 -6.082 1.00 0.63 H new ATOM 0 HD13 ILE A 148 2.618 16.918 -5.540 1.00 0.63 H new ATOM 917 N ASP A 149 -2.544 17.875 -3.051 1.00 0.48 N ATOM 918 CA ASP A 149 -3.251 17.560 -1.765 1.00 0.53 C ATOM 919 C ASP A 149 -2.777 16.219 -1.175 1.00 0.53 C ATOM 920 O ASP A 149 -2.021 15.488 -1.789 1.00 0.63 O ATOM 921 CB ASP A 149 -4.742 17.485 -2.140 1.00 0.58 C ATOM 922 CG ASP A 149 -5.213 18.793 -2.803 1.00 1.05 C ATOM 923 OD1 ASP A 149 -4.590 19.822 -2.585 1.00 1.65 O ATOM 924 OD2 ASP A 149 -6.195 18.742 -3.521 1.00 1.84 O ATOM 0 H ASP A 149 -2.925 17.415 -3.878 1.00 0.48 H new ATOM 0 HA ASP A 149 -3.050 18.313 -1.004 1.00 0.53 H new ATOM 0 HB2 ASP A 149 -4.908 16.649 -2.819 1.00 0.58 H new ATOM 0 HB3 ASP A 149 -5.336 17.292 -1.246 1.00 0.58 H new ATOM 929 N TYR A 150 -3.226 15.898 0.020 1.00 0.58 N ATOM 930 CA TYR A 150 -2.819 14.609 0.675 1.00 0.60 C ATOM 931 C TYR A 150 -3.310 13.413 -0.152 1.00 0.59 C ATOM 932 O TYR A 150 -2.566 12.486 -0.409 1.00 0.63 O ATOM 933 CB TYR A 150 -3.497 14.628 2.051 1.00 0.73 C ATOM 934 CG TYR A 150 -2.824 13.639 2.980 1.00 0.72 C ATOM 935 CD1 TYR A 150 -1.482 13.813 3.335 1.00 1.22 C ATOM 936 CD2 TYR A 150 -3.551 12.560 3.502 1.00 1.15 C ATOM 937 CE1 TYR A 150 -0.866 12.909 4.207 1.00 1.56 C ATOM 938 CE2 TYR A 150 -2.931 11.654 4.373 1.00 1.43 C ATOM 939 CZ TYR A 150 -1.589 11.831 4.726 1.00 1.48 C ATOM 940 OH TYR A 150 -0.978 10.946 5.591 1.00 1.96 O ATOM 0 H TYR A 150 -3.860 16.477 0.571 1.00 0.58 H new ATOM 0 HA TYR A 150 -1.736 14.513 0.757 1.00 0.60 H new ATOM 0 HB2 TYR A 150 -3.445 15.630 2.476 1.00 0.73 H new ATOM 0 HB3 TYR A 150 -4.553 14.380 1.947 1.00 0.73 H new ATOM 0 HD1 TYR A 150 -0.921 14.645 2.936 1.00 1.22 H new ATOM 0 HD2 TYR A 150 -4.588 12.427 3.233 1.00 1.15 H new ATOM 0 HE1 TYR A 150 0.170 13.044 4.480 1.00 1.56 H new ATOM 0 HE2 TYR A 150 -3.489 10.820 4.772 1.00 1.43 H new ATOM 0 HH TYR A 150 -0.753 10.122 5.111 1.00 1.96 H new ATOM 950 N ASP A 151 -4.553 13.433 -0.579 1.00 0.64 N ATOM 951 CA ASP A 151 -5.087 12.302 -1.403 1.00 0.70 C ATOM 952 C ASP A 151 -4.220 12.124 -2.657 1.00 0.63 C ATOM 953 O ASP A 151 -3.815 11.028 -2.993 1.00 0.77 O ATOM 954 CB ASP A 151 -6.511 12.718 -1.784 1.00 0.79 C ATOM 955 CG ASP A 151 -7.323 11.479 -2.164 1.00 1.24 C ATOM 956 OD1 ASP A 151 -7.816 10.821 -1.265 1.00 1.90 O ATOM 957 OD2 ASP A 151 -7.436 11.211 -3.348 1.00 1.83 O ATOM 0 H ASP A 151 -5.218 14.183 -0.392 1.00 0.64 H new ATOM 0 HA ASP A 151 -5.078 11.353 -0.866 1.00 0.70 H new ATOM 0 HB2 ASP A 151 -6.985 13.234 -0.949 1.00 0.79 H new ATOM 0 HB3 ASP A 151 -6.485 13.418 -2.619 1.00 0.79 H new ATOM 962 N GLU A 152 -3.913 13.208 -3.329 1.00 0.54 N ATOM 963 CA GLU A 152 -3.048 13.130 -4.546 1.00 0.56 C ATOM 964 C GLU A 152 -1.673 12.573 -4.165 1.00 0.52 C ATOM 965 O GLU A 152 -1.061 11.828 -4.909 1.00 0.65 O ATOM 966 CB GLU A 152 -2.914 14.577 -5.014 1.00 0.60 C ATOM 967 CG GLU A 152 -4.120 14.955 -5.879 1.00 0.77 C ATOM 968 CD GLU A 152 -4.427 16.444 -5.707 1.00 0.72 C ATOM 969 OE1 GLU A 152 -3.489 17.222 -5.635 1.00 1.17 O ATOM 970 OE2 GLU A 152 -5.594 16.784 -5.650 1.00 1.40 O ATOM 0 H GLU A 152 -4.227 14.147 -3.084 1.00 0.54 H new ATOM 0 HA GLU A 152 -3.463 12.481 -5.317 1.00 0.56 H new ATOM 0 HB2 GLU A 152 -2.849 15.243 -4.153 1.00 0.60 H new ATOM 0 HB3 GLU A 152 -1.993 14.701 -5.583 1.00 0.60 H new ATOM 0 HG2 GLU A 152 -3.913 14.734 -6.926 1.00 0.77 H new ATOM 0 HG3 GLU A 152 -4.987 14.359 -5.593 1.00 0.77 H new ATOM 977 N PHE A 153 -1.192 12.938 -3.001 1.00 0.46 N ATOM 978 CA PHE A 153 0.139 12.449 -2.534 1.00 0.46 C ATOM 979 C PHE A 153 0.149 10.917 -2.446 1.00 0.50 C ATOM 980 O PHE A 153 1.117 10.279 -2.808 1.00 0.64 O ATOM 981 CB PHE A 153 0.320 13.075 -1.148 1.00 0.49 C ATOM 982 CG PHE A 153 1.786 13.295 -0.878 1.00 0.48 C ATOM 983 CD1 PHE A 153 2.483 14.292 -1.570 1.00 0.52 C ATOM 984 CD2 PHE A 153 2.446 12.505 0.067 1.00 0.62 C ATOM 985 CE1 PHE A 153 3.842 14.500 -1.313 1.00 0.61 C ATOM 986 CE2 PHE A 153 3.804 12.713 0.325 1.00 0.73 C ATOM 987 CZ PHE A 153 4.502 13.709 -0.366 1.00 0.68 C ATOM 0 H PHE A 153 -1.671 13.560 -2.350 1.00 0.46 H new ATOM 0 HA PHE A 153 0.944 12.724 -3.216 1.00 0.46 H new ATOM 0 HB2 PHE A 153 -0.216 14.023 -1.093 1.00 0.49 H new ATOM 0 HB3 PHE A 153 -0.106 12.423 -0.385 1.00 0.49 H new ATOM 0 HD1 PHE A 153 1.972 14.900 -2.302 1.00 0.52 H new ATOM 0 HD2 PHE A 153 1.907 11.734 0.598 1.00 0.62 H new ATOM 0 HE1 PHE A 153 4.381 15.270 -1.845 1.00 0.61 H new ATOM 0 HE2 PHE A 153 4.314 12.105 1.058 1.00 0.73 H new ATOM 0 HZ PHE A 153 5.552 13.868 -0.168 1.00 0.68 H new ATOM 997 N LEU A 154 -0.925 10.323 -1.981 1.00 0.53 N ATOM 998 CA LEU A 154 -0.977 8.827 -1.884 1.00 0.62 C ATOM 999 C LEU A 154 -0.950 8.210 -3.291 1.00 0.65 C ATOM 1000 O LEU A 154 -0.320 7.193 -3.520 1.00 0.83 O ATOM 1001 CB LEU A 154 -2.309 8.505 -1.185 1.00 0.75 C ATOM 1002 CG LEU A 154 -2.100 8.316 0.326 1.00 0.91 C ATOM 1003 CD1 LEU A 154 -1.083 7.199 0.588 1.00 1.65 C ATOM 1004 CD2 LEU A 154 -1.596 9.620 0.949 1.00 1.20 C ATOM 0 H LEU A 154 -1.766 10.807 -1.665 1.00 0.53 H new ATOM 0 HA LEU A 154 -0.127 8.423 -1.334 1.00 0.62 H new ATOM 0 HB2 LEU A 154 -3.021 9.311 -1.360 1.00 0.75 H new ATOM 0 HB3 LEU A 154 -2.740 7.600 -1.613 1.00 0.75 H new ATOM 0 HG LEU A 154 -3.054 8.042 0.777 1.00 0.91 H new ATOM 0 HD11 LEU A 154 -0.945 7.077 1.662 1.00 1.65 H new ATOM 0 HD12 LEU A 154 -1.450 6.266 0.161 1.00 1.65 H new ATOM 0 HD13 LEU A 154 -0.130 7.459 0.127 1.00 1.65 H new ATOM 0 HD21 LEU A 154 -1.450 9.479 2.020 1.00 1.20 H new ATOM 0 HD22 LEU A 154 -0.649 9.902 0.488 1.00 1.20 H new ATOM 0 HD23 LEU A 154 -2.329 10.409 0.784 1.00 1.20 H new ATOM 1016 N GLU A 155 -1.631 8.823 -4.231 1.00 0.69 N ATOM 1017 CA GLU A 155 -1.657 8.286 -5.629 1.00 0.81 C ATOM 1018 C GLU A 155 -0.293 8.463 -6.316 1.00 0.76 C ATOM 1019 O GLU A 155 0.077 7.683 -7.170 1.00 0.90 O ATOM 1020 CB GLU A 155 -2.729 9.114 -6.351 1.00 0.97 C ATOM 1021 CG GLU A 155 -3.419 8.256 -7.421 1.00 1.41 C ATOM 1022 CD GLU A 155 -2.994 8.724 -8.816 1.00 2.06 C ATOM 1023 OE1 GLU A 155 -1.930 8.325 -9.256 1.00 2.57 O ATOM 1024 OE2 GLU A 155 -3.745 9.470 -9.423 1.00 2.77 O ATOM 0 H GLU A 155 -2.172 9.676 -4.089 1.00 0.69 H new ATOM 0 HA GLU A 155 -1.874 7.218 -5.646 1.00 0.81 H new ATOM 0 HB2 GLU A 155 -3.465 9.477 -5.634 1.00 0.97 H new ATOM 0 HB3 GLU A 155 -2.274 9.990 -6.813 1.00 0.97 H new ATOM 0 HG2 GLU A 155 -3.156 7.207 -7.284 1.00 1.41 H new ATOM 0 HG3 GLU A 155 -4.501 8.330 -7.317 1.00 1.41 H new ATOM 1031 N PHE A 156 0.454 9.481 -5.965 1.00 0.66 N ATOM 1032 CA PHE A 156 1.782 9.691 -6.623 1.00 0.77 C ATOM 1033 C PHE A 156 2.905 8.963 -5.868 1.00 0.71 C ATOM 1034 O PHE A 156 3.743 8.325 -6.475 1.00 0.88 O ATOM 1035 CB PHE A 156 2.010 11.205 -6.598 1.00 0.84 C ATOM 1036 CG PHE A 156 3.346 11.517 -7.231 1.00 1.01 C ATOM 1037 CD1 PHE A 156 3.453 11.593 -8.620 1.00 1.09 C ATOM 1038 CD2 PHE A 156 4.475 11.723 -6.432 1.00 1.49 C ATOM 1039 CE1 PHE A 156 4.688 11.877 -9.214 1.00 1.31 C ATOM 1040 CE2 PHE A 156 5.709 12.006 -7.025 1.00 1.72 C ATOM 1041 CZ PHE A 156 5.815 12.084 -8.416 1.00 1.53 C ATOM 0 H PHE A 156 0.205 10.171 -5.257 1.00 0.66 H new ATOM 0 HA PHE A 156 1.790 9.290 -7.637 1.00 0.77 H new ATOM 0 HB2 PHE A 156 1.211 11.714 -7.137 1.00 0.84 H new ATOM 0 HB3 PHE A 156 1.986 11.572 -5.572 1.00 0.84 H new ATOM 0 HD1 PHE A 156 2.582 11.432 -9.238 1.00 1.09 H new ATOM 0 HD2 PHE A 156 4.394 11.663 -5.357 1.00 1.49 H new ATOM 0 HE1 PHE A 156 4.769 11.936 -10.289 1.00 1.31 H new ATOM 0 HE2 PHE A 156 6.581 12.164 -6.408 1.00 1.72 H new ATOM 0 HZ PHE A 156 6.768 12.304 -8.874 1.00 1.53 H new ATOM 1051 N MET A 157 2.939 9.066 -4.558 1.00 0.61 N ATOM 1052 CA MET A 157 4.026 8.395 -3.765 1.00 0.69 C ATOM 1053 C MET A 157 4.165 6.909 -4.133 1.00 0.83 C ATOM 1054 O MET A 157 5.260 6.379 -4.159 1.00 1.17 O ATOM 1055 CB MET A 157 3.610 8.551 -2.301 1.00 0.84 C ATOM 1056 CG MET A 157 4.144 9.882 -1.760 1.00 0.92 C ATOM 1057 SD MET A 157 5.304 9.573 -0.405 1.00 1.56 S ATOM 1058 CE MET A 157 6.726 9.107 -1.421 1.00 0.90 C ATOM 0 H MET A 157 2.260 9.586 -4.002 1.00 0.61 H new ATOM 0 HA MET A 157 4.998 8.845 -3.969 1.00 0.69 H new ATOM 0 HB2 MET A 157 2.524 8.520 -2.215 1.00 0.84 H new ATOM 0 HB3 MET A 157 4.000 7.722 -1.710 1.00 0.84 H new ATOM 0 HG2 MET A 157 4.641 10.436 -2.557 1.00 0.92 H new ATOM 0 HG3 MET A 157 3.318 10.500 -1.409 1.00 0.92 H new ATOM 0 HE1 MET A 157 7.544 8.785 -0.776 1.00 0.90 H new ATOM 0 HE2 MET A 157 6.446 8.291 -2.087 1.00 0.90 H new ATOM 0 HE3 MET A 157 7.046 9.964 -2.013 1.00 0.90 H new ATOM 1068 N LYS A 158 3.075 6.236 -4.418 1.00 0.86 N ATOM 1069 CA LYS A 158 3.164 4.784 -4.785 1.00 1.07 C ATOM 1070 C LYS A 158 4.061 4.581 -6.025 1.00 1.36 C ATOM 1071 O LYS A 158 4.618 3.518 -6.219 1.00 1.73 O ATOM 1072 CB LYS A 158 1.723 4.334 -5.066 1.00 1.28 C ATOM 1073 CG LYS A 158 1.170 5.053 -6.299 1.00 1.66 C ATOM 1074 CD LYS A 158 -0.280 4.619 -6.532 1.00 2.24 C ATOM 1075 CE LYS A 158 -0.500 4.334 -8.022 1.00 2.85 C ATOM 1076 NZ LYS A 158 -0.777 5.664 -8.636 1.00 3.52 N1+ ATOM 0 H LYS A 158 2.132 6.626 -4.413 1.00 0.86 H new ATOM 0 HA LYS A 158 3.614 4.197 -3.984 1.00 1.07 H new ATOM 0 HB2 LYS A 158 1.696 3.256 -5.223 1.00 1.28 H new ATOM 0 HB3 LYS A 158 1.094 4.546 -4.201 1.00 1.28 H new ATOM 0 HG2 LYS A 158 1.220 6.133 -6.157 1.00 1.66 H new ATOM 0 HG3 LYS A 158 1.777 4.818 -7.173 1.00 1.66 H new ATOM 0 HD2 LYS A 158 -0.502 3.728 -5.945 1.00 2.24 H new ATOM 0 HD3 LYS A 158 -0.962 5.400 -6.197 1.00 2.24 H new ATOM 0 HE2 LYS A 158 0.379 3.869 -8.468 1.00 2.85 H new ATOM 0 HE3 LYS A 158 -1.334 3.649 -8.173 1.00 2.85 H new ATOM 0 HZ1 LYS A 158 -1.745 5.676 -9.015 1.00 3.52 H new ATOM 0 HZ2 LYS A 158 -0.678 6.407 -7.915 1.00 3.52 H new ATOM 0 HZ3 LYS A 158 -0.101 5.838 -9.407 1.00 3.52 H new