USER MOD reduce.3.24.130724 H: found=0, std=0, add=278, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 280 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 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -167:sc=-0.00459 (180deg=-0.0597) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot -19:sc= 1.11 USER MOD Single : A 37 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0647) USER MOD ----------------------------------------------------------------- ATOM 49 N LYS A 3 2.366 -4.468 -1.326 1.00 55.42 N ATOM 50 CA LYS A 3 1.508 -4.804 -0.196 1.00 30.00 C ATOM 51 C LYS A 3 0.221 -3.986 -0.227 1.00 10.10 C ATOM 52 O LYS A 3 -0.868 -4.532 -0.406 1.00 51.22 O ATOM 53 CB LYS A 3 2.247 -4.561 1.122 1.00 65.43 C ATOM 54 CG LYS A 3 1.383 -4.772 2.352 1.00 35.23 C ATOM 55 CD LYS A 3 2.227 -5.004 3.594 1.00 32.02 C ATOM 56 CE LYS A 3 1.368 -5.395 4.787 1.00 31.01 C ATOM 57 NZ LYS A 3 0.730 -4.209 5.424 1.00 62.53 N ATOM 0 HA LYS A 3 1.248 -5.860 -0.271 1.00 30.00 H new ATOM 0 HB2 LYS A 3 3.108 -5.228 1.174 1.00 65.43 H new ATOM 0 HB3 LYS A 3 2.633 -3.542 1.130 1.00 65.43 H new ATOM 0 HG2 LYS A 3 0.744 -3.902 2.503 1.00 35.23 H new ATOM 0 HG3 LYS A 3 0.725 -5.627 2.193 1.00 35.23 H new ATOM 0 HD2 LYS A 3 2.957 -5.789 3.397 1.00 32.02 H new ATOM 0 HD3 LYS A 3 2.787 -4.099 3.829 1.00 32.02 H new ATOM 0 HE2 LYS A 3 0.596 -6.094 4.465 1.00 31.01 H new ATOM 0 HE3 LYS A 3 1.982 -5.915 5.522 1.00 31.01 H new ATOM 0 HZ1 LYS A 3 0.153 -4.517 6.233 1.00 62.53 H new ATOM 0 HZ2 LYS A 3 1.467 -3.554 5.754 1.00 62.53 H new ATOM 0 HZ3 LYS A 3 0.124 -3.727 4.730 1.00 62.53 H new ATOM 71 N ILE A 4 0.354 -2.675 -0.053 1.00 21.40 N ATOM 72 CA ILE A 4 -0.798 -1.783 -0.064 1.00 13.11 C ATOM 73 C ILE A 4 -1.647 -1.996 -1.313 1.00 2.01 C ATOM 74 O ILE A 4 -2.856 -2.213 -1.226 1.00 3.43 O ATOM 75 CB ILE A 4 -0.367 -0.306 0.004 1.00 12.13 C ATOM 76 CG1 ILE A 4 0.551 -0.075 1.206 1.00 23.11 C ATOM 77 CG2 ILE A 4 -1.588 0.599 0.082 1.00 44.00 C ATOM 78 CD1 ILE A 4 1.980 0.242 0.823 1.00 71.43 C ATOM 0 H ILE A 4 1.248 -2.208 0.097 1.00 21.40 H new ATOM 0 HA ILE A 4 -1.390 -2.022 0.820 1.00 13.11 H new ATOM 0 HB ILE A 4 0.185 -0.062 -0.904 1.00 12.13 H new ATOM 0 HG12 ILE A 4 0.153 0.745 1.804 1.00 23.11 H new ATOM 0 HG13 ILE A 4 0.541 -0.964 1.837 1.00 23.11 H new ATOM 0 HG21 ILE A 4 -1.267 1.640 0.130 1.00 44.00 H new ATOM 0 HG22 ILE A 4 -2.208 0.450 -0.802 1.00 44.00 H new ATOM 0 HG23 ILE A 4 -2.165 0.356 0.975 1.00 44.00 H new ATOM 0 HD11 ILE A 4 2.573 0.394 1.725 1.00 71.43 H new ATOM 0 HD12 ILE A 4 2.396 -0.587 0.250 1.00 71.43 H new ATOM 0 HD13 ILE A 4 2.002 1.148 0.218 1.00 71.43 H new ATOM 90 N PHE A 5 -1.005 -1.935 -2.475 1.00 11.31 N ATOM 91 CA PHE A 5 -1.700 -2.122 -3.743 1.00 55.10 C ATOM 92 C PHE A 5 -2.508 -3.417 -3.735 1.00 3.23 C ATOM 93 O PHE A 5 -3.731 -3.401 -3.873 1.00 10.45 O ATOM 94 CB PHE A 5 -0.700 -2.139 -4.900 1.00 44.02 C ATOM 95 CG PHE A 5 -1.348 -2.085 -6.254 1.00 45.01 C ATOM 96 CD1 PHE A 5 -2.168 -1.024 -6.602 1.00 60.02 C ATOM 97 CD2 PHE A 5 -1.136 -3.095 -7.179 1.00 2.31 C ATOM 98 CE1 PHE A 5 -2.766 -0.972 -7.847 1.00 70.51 C ATOM 99 CE2 PHE A 5 -1.731 -3.048 -8.426 1.00 21.34 C ATOM 100 CZ PHE A 5 -2.546 -1.985 -8.760 1.00 73.14 C ATOM 0 H PHE A 5 -0.005 -1.758 -2.565 1.00 11.31 H new ATOM 0 HA PHE A 5 -2.387 -1.287 -3.878 1.00 55.10 H new ATOM 0 HB2 PHE A 5 -0.022 -1.292 -4.796 1.00 44.02 H new ATOM 0 HB3 PHE A 5 -0.094 -3.042 -4.832 1.00 44.02 H new ATOM 0 HD1 PHE A 5 -2.342 -0.229 -5.892 1.00 60.02 H new ATOM 0 HD2 PHE A 5 -0.499 -3.928 -6.923 1.00 2.31 H new ATOM 0 HE1 PHE A 5 -3.405 -0.140 -8.106 1.00 70.51 H new ATOM 0 HE2 PHE A 5 -1.558 -3.842 -9.138 1.00 21.34 H new ATOM 0 HZ PHE A 5 -3.011 -1.945 -9.734 1.00 73.14 H new ATOM 110 N LYS A 6 -1.814 -4.538 -3.573 1.00 22.33 N ATOM 111 CA LYS A 6 -2.464 -5.843 -3.545 1.00 65.34 C ATOM 112 C LYS A 6 -3.582 -5.873 -2.509 1.00 12.42 C ATOM 113 O LYS A 6 -4.658 -6.417 -2.756 1.00 72.45 O ATOM 114 CB LYS A 6 -1.440 -6.939 -3.238 1.00 73.02 C ATOM 115 CG LYS A 6 -1.937 -8.340 -3.551 1.00 42.11 C ATOM 116 CD LYS A 6 -1.574 -8.757 -4.966 1.00 40.04 C ATOM 117 CE LYS A 6 -2.809 -9.129 -5.772 1.00 54.30 C ATOM 118 NZ LYS A 6 -3.488 -10.335 -5.222 1.00 50.20 N ATOM 0 H LYS A 6 -0.801 -4.569 -3.459 1.00 22.33 H new ATOM 0 HA LYS A 6 -2.899 -6.025 -4.528 1.00 65.34 H new ATOM 0 HB2 LYS A 6 -0.533 -6.748 -3.811 1.00 73.02 H new ATOM 0 HB3 LYS A 6 -1.168 -6.886 -2.184 1.00 73.02 H new ATOM 0 HG2 LYS A 6 -1.507 -9.047 -2.841 1.00 42.11 H new ATOM 0 HG3 LYS A 6 -3.019 -8.380 -3.425 1.00 42.11 H new ATOM 0 HD2 LYS A 6 -1.046 -7.943 -5.462 1.00 40.04 H new ATOM 0 HD3 LYS A 6 -0.891 -9.606 -4.932 1.00 40.04 H new ATOM 0 HE2 LYS A 6 -3.506 -8.291 -5.777 1.00 54.30 H new ATOM 0 HE3 LYS A 6 -2.525 -9.313 -6.808 1.00 54.30 H new ATOM 0 HZ1 LYS A 6 -4.184 -10.686 -5.911 1.00 50.20 H new ATOM 0 HZ2 LYS A 6 -2.782 -11.076 -5.035 1.00 50.20 H new ATOM 0 HZ3 LYS A 6 -3.973 -10.087 -4.336 1.00 50.20 H new ATOM 132 N LYS A 7 -3.322 -5.282 -1.347 1.00 60.14 N ATOM 133 CA LYS A 7 -4.307 -5.238 -0.273 1.00 52.44 C ATOM 134 C LYS A 7 -5.554 -4.475 -0.710 1.00 71.42 C ATOM 135 O LYS A 7 -6.633 -5.055 -0.841 1.00 43.24 O ATOM 136 CB LYS A 7 -3.706 -4.582 0.972 1.00 44.25 C ATOM 137 CG LYS A 7 -4.618 -4.628 2.185 1.00 54.14 C ATOM 138 CD LYS A 7 -3.871 -5.081 3.428 1.00 53.22 C ATOM 139 CE LYS A 7 -4.789 -5.816 4.393 1.00 61.04 C ATOM 140 NZ LYS A 7 -4.469 -5.500 5.812 1.00 12.32 N ATOM 0 H LYS A 7 -2.437 -4.827 -1.125 1.00 60.14 H new ATOM 0 HA LYS A 7 -4.593 -6.262 -0.034 1.00 52.44 H new ATOM 0 HB2 LYS A 7 -2.766 -5.078 1.216 1.00 44.25 H new ATOM 0 HB3 LYS A 7 -3.469 -3.542 0.746 1.00 44.25 H new ATOM 0 HG2 LYS A 7 -5.046 -3.641 2.357 1.00 54.14 H new ATOM 0 HG3 LYS A 7 -5.449 -5.307 1.991 1.00 54.14 H new ATOM 0 HD2 LYS A 7 -3.046 -5.733 3.141 1.00 53.22 H new ATOM 0 HD3 LYS A 7 -3.434 -4.216 3.927 1.00 53.22 H new ATOM 0 HE2 LYS A 7 -5.825 -5.547 4.186 1.00 61.04 H new ATOM 0 HE3 LYS A 7 -4.701 -6.890 4.231 1.00 61.04 H new ATOM 0 HZ1 LYS A 7 -5.116 -6.020 6.438 1.00 12.32 H new ATOM 0 HZ2 LYS A 7 -3.489 -5.780 6.018 1.00 12.32 H new ATOM 0 HZ3 LYS A 7 -4.578 -4.478 5.973 1.00 12.32 H new ATOM 154 N ILE A 8 -5.399 -3.175 -0.935 1.00 63.10 N ATOM 155 CA ILE A 8 -6.512 -2.335 -1.360 1.00 22.34 C ATOM 156 C ILE A 8 -7.221 -2.933 -2.570 1.00 61.11 C ATOM 157 O ILE A 8 -8.449 -2.919 -2.651 1.00 64.24 O ATOM 158 CB ILE A 8 -6.042 -0.910 -1.706 1.00 62.21 C ATOM 159 CG1 ILE A 8 -5.350 -0.271 -0.500 1.00 53.54 C ATOM 160 CG2 ILE A 8 -7.219 -0.060 -2.161 1.00 63.32 C ATOM 161 CD1 ILE A 8 -4.710 1.065 -0.809 1.00 63.53 C ATOM 0 H ILE A 8 -4.513 -2.680 -0.830 1.00 63.10 H new ATOM 0 HA ILE A 8 -7.208 -2.285 -0.522 1.00 22.34 H new ATOM 0 HB ILE A 8 -5.324 -0.968 -2.524 1.00 62.21 H new ATOM 0 HG12 ILE A 8 -6.079 -0.139 0.300 1.00 53.54 H new ATOM 0 HG13 ILE A 8 -4.586 -0.953 -0.126 1.00 53.54 H new ATOM 0 HG21 ILE A 8 -6.871 0.944 -2.402 1.00 63.32 H new ATOM 0 HG22 ILE A 8 -7.672 -0.509 -3.045 1.00 63.32 H new ATOM 0 HG23 ILE A 8 -7.959 -0.006 -1.362 1.00 63.32 H new ATOM 0 HD11 ILE A 8 -4.239 1.459 0.091 1.00 63.53 H new ATOM 0 HD12 ILE A 8 -3.957 0.937 -1.587 1.00 63.53 H new ATOM 0 HD13 ILE A 8 -5.473 1.763 -1.154 1.00 63.53 H new ATOM 173 N GLU A 9 -6.438 -3.459 -3.507 1.00 55.15 N ATOM 174 CA GLU A 9 -6.992 -4.063 -4.714 1.00 15.15 C ATOM 175 C GLU A 9 -7.828 -5.293 -4.371 1.00 60.24 C ATOM 176 O GLU A 9 -8.964 -5.432 -4.825 1.00 31.30 O ATOM 177 CB GLU A 9 -5.870 -4.448 -5.680 1.00 12.42 C ATOM 178 CG GLU A 9 -6.365 -5.105 -6.957 1.00 34.21 C ATOM 179 CD GLU A 9 -5.284 -5.214 -8.014 1.00 62.32 C ATOM 180 OE1 GLU A 9 -4.989 -4.193 -8.670 1.00 22.44 O ATOM 181 OE2 GLU A 9 -4.732 -6.322 -8.185 1.00 52.35 O ATOM 0 H GLU A 9 -5.420 -3.479 -3.454 1.00 55.15 H new ATOM 0 HA GLU A 9 -7.638 -3.328 -5.194 1.00 15.15 H new ATOM 0 HB2 GLU A 9 -5.302 -3.554 -5.938 1.00 12.42 H new ATOM 0 HB3 GLU A 9 -5.184 -5.127 -5.174 1.00 12.42 H new ATOM 0 HG2 GLU A 9 -6.743 -6.101 -6.726 1.00 34.21 H new ATOM 0 HG3 GLU A 9 -7.201 -4.531 -7.356 1.00 34.21 H new ATOM 188 N LYS A 10 -7.257 -6.184 -3.568 1.00 64.34 N ATOM 189 CA LYS A 10 -7.947 -7.403 -3.164 1.00 24.35 C ATOM 190 C LYS A 10 -9.189 -7.078 -2.340 1.00 42.43 C ATOM 191 O LYS A 10 -10.305 -7.442 -2.711 1.00 64.20 O ATOM 192 CB LYS A 10 -7.007 -8.301 -2.355 1.00 71.23 C ATOM 193 CG LYS A 10 -7.633 -9.623 -1.945 1.00 23.01 C ATOM 194 CD LYS A 10 -6.891 -10.803 -2.551 1.00 54.23 C ATOM 195 CE LYS A 10 -7.558 -12.123 -2.194 1.00 42.34 C ATOM 196 NZ LYS A 10 -8.557 -12.534 -3.219 1.00 33.23 N ATOM 0 H LYS A 10 -6.317 -6.085 -3.184 1.00 64.34 H new ATOM 0 HA LYS A 10 -8.258 -7.930 -4.066 1.00 24.35 H new ATOM 0 HB2 LYS A 10 -6.112 -8.500 -2.944 1.00 71.23 H new ATOM 0 HB3 LYS A 10 -6.688 -7.766 -1.460 1.00 71.23 H new ATOM 0 HG2 LYS A 10 -7.627 -9.708 -0.858 1.00 23.01 H new ATOM 0 HG3 LYS A 10 -8.676 -9.646 -2.261 1.00 23.01 H new ATOM 0 HD2 LYS A 10 -6.855 -10.694 -3.635 1.00 54.23 H new ATOM 0 HD3 LYS A 10 -5.860 -10.807 -2.196 1.00 54.23 H new ATOM 0 HE2 LYS A 10 -6.799 -12.899 -2.095 1.00 42.34 H new ATOM 0 HE3 LYS A 10 -8.048 -12.032 -1.225 1.00 42.34 H new ATOM 0 HZ1 LYS A 10 -8.989 -13.438 -2.940 1.00 33.23 H new ATOM 0 HZ2 LYS A 10 -9.296 -11.806 -3.295 1.00 33.23 H new ATOM 0 HZ3 LYS A 10 -8.085 -12.646 -4.139 1.00 33.23 H new ATOM 210 N VAL A 11 -8.988 -6.388 -1.222 1.00 1.21 N ATOM 211 CA VAL A 11 -10.092 -6.011 -0.348 1.00 11.44 C ATOM 212 C VAL A 11 -11.150 -5.220 -1.109 1.00 34.22 C ATOM 213 O VAL A 11 -12.335 -5.274 -0.781 1.00 51.34 O ATOM 214 CB VAL A 11 -9.601 -5.171 0.847 1.00 62.52 C ATOM 215 CG1 VAL A 11 -9.092 -3.818 0.375 1.00 14.44 C ATOM 216 CG2 VAL A 11 -10.711 -5.005 1.873 1.00 31.33 C ATOM 0 H VAL A 11 -8.071 -6.079 -0.900 1.00 1.21 H new ATOM 0 HA VAL A 11 -10.531 -6.937 0.024 1.00 11.44 H new ATOM 0 HB VAL A 11 -8.774 -5.697 1.323 1.00 62.52 H new ATOM 0 HG11 VAL A 11 -8.750 -3.239 1.232 1.00 14.44 H new ATOM 0 HG12 VAL A 11 -8.264 -3.963 -0.319 1.00 14.44 H new ATOM 0 HG13 VAL A 11 -9.897 -3.281 -0.127 1.00 14.44 H new ATOM 0 HG21 VAL A 11 -10.347 -4.409 2.710 1.00 31.33 H new ATOM 0 HG22 VAL A 11 -11.561 -4.501 1.412 1.00 31.33 H new ATOM 0 HG23 VAL A 11 -11.023 -5.985 2.234 1.00 31.33 H new ATOM 226 N GLY A 12 -10.714 -4.486 -2.128 1.00 71.32 N ATOM 227 CA GLY A 12 -11.637 -3.695 -2.921 1.00 62.00 C ATOM 228 C GLY A 12 -12.488 -4.547 -3.842 1.00 1.22 C ATOM 229 O GLY A 12 -13.676 -4.281 -4.022 1.00 35.13 O ATOM 0 H GLY A 12 -9.738 -4.425 -2.419 1.00 71.32 H new ATOM 0 HA2 GLY A 12 -12.286 -3.125 -2.256 1.00 62.00 H new ATOM 0 HA3 GLY A 12 -11.075 -2.974 -3.514 1.00 62.00 H new ATOM 233 N ARG A 13 -11.879 -5.572 -4.428 1.00 22.43 N ATOM 234 CA ARG A 13 -12.588 -6.464 -5.337 1.00 51.04 C ATOM 235 C ARG A 13 -13.411 -7.489 -4.562 1.00 62.14 C ATOM 236 O ARG A 13 -14.468 -7.922 -5.017 1.00 75.42 O ATOM 237 CB ARG A 13 -11.599 -7.180 -6.259 1.00 3.32 C ATOM 238 CG ARG A 13 -11.258 -6.394 -7.515 1.00 12.04 C ATOM 239 CD ARG A 13 -10.870 -7.316 -8.660 1.00 54.43 C ATOM 240 NE ARG A 13 -11.603 -7.005 -9.885 1.00 13.22 N ATOM 241 CZ ARG A 13 -11.383 -7.610 -11.047 1.00 35.35 C ATOM 242 NH1 ARG A 13 -10.457 -8.554 -11.141 1.00 70.02 N ATOM 243 NH2 ARG A 13 -12.092 -7.272 -12.117 1.00 25.34 N ATOM 0 H ARG A 13 -10.896 -5.806 -4.290 1.00 22.43 H new ATOM 0 HA ARG A 13 -13.266 -5.861 -5.941 1.00 51.04 H new ATOM 0 HB2 ARG A 13 -10.681 -7.382 -5.707 1.00 3.32 H new ATOM 0 HB3 ARG A 13 -12.017 -8.145 -6.547 1.00 3.32 H new ATOM 0 HG2 ARG A 13 -12.114 -5.787 -7.809 1.00 12.04 H new ATOM 0 HG3 ARG A 13 -10.438 -5.708 -7.305 1.00 12.04 H new ATOM 0 HD2 ARG A 13 -9.799 -7.232 -8.847 1.00 54.43 H new ATOM 0 HD3 ARG A 13 -11.063 -8.350 -8.374 1.00 54.43 H new ATOM 0 HE ARG A 13 -12.323 -6.284 -9.846 1.00 13.22 H new ATOM 0 HH11 ARG A 13 -9.912 -8.817 -10.320 1.00 70.02 H new ATOM 0 HH12 ARG A 13 -10.290 -9.017 -12.034 1.00 70.02 H new ATOM 0 HH21 ARG A 13 -12.806 -6.547 -12.047 1.00 25.34 H new ATOM 0 HH22 ARG A 13 -11.922 -7.737 -13.009 1.00 25.34 H new ATOM 257 N ASN A 14 -12.916 -7.873 -3.390 1.00 13.43 N ATOM 258 CA ASN A 14 -13.605 -8.848 -2.552 1.00 10.41 C ATOM 259 C ASN A 14 -15.040 -8.410 -2.276 1.00 74.41 C ATOM 260 O ASN A 14 -15.993 -9.082 -2.674 1.00 3.32 O ATOM 261 CB ASN A 14 -12.855 -9.037 -1.232 1.00 10.12 C ATOM 262 CG ASN A 14 -13.570 -9.988 -0.292 1.00 15.45 C ATOM 263 OD1 ASN A 14 -14.006 -11.066 -0.695 1.00 21.35 O ATOM 264 ND2 ASN A 14 -13.695 -9.590 0.969 1.00 31.14 N ATOM 0 H ASN A 14 -12.041 -7.524 -2.999 1.00 13.43 H new ATOM 0 HA ASN A 14 -13.630 -9.797 -3.087 1.00 10.41 H new ATOM 0 HB2 ASN A 14 -11.854 -9.417 -1.437 1.00 10.12 H new ATOM 0 HB3 ASN A 14 -12.735 -8.070 -0.744 1.00 10.12 H new ATOM 0 HD21 ASN A 14 -14.168 -10.187 1.648 1.00 31.14 H new ATOM 0 HD22 ASN A 14 -13.318 -8.688 1.259 1.00 31.14 H new ATOM 271 N VAL A 15 -15.188 -7.280 -1.593 1.00 0.14 N ATOM 272 CA VAL A 15 -16.507 -6.751 -1.265 1.00 24.33 C ATOM 273 C VAL A 15 -17.387 -6.661 -2.506 1.00 42.12 C ATOM 274 O VAL A 15 -18.487 -7.212 -2.541 1.00 12.21 O ATOM 275 CB VAL A 15 -16.407 -5.358 -0.617 1.00 14.44 C ATOM 276 CG1 VAL A 15 -17.779 -4.879 -0.166 1.00 31.10 C ATOM 277 CG2 VAL A 15 -15.432 -5.381 0.550 1.00 20.45 C ATOM 0 H VAL A 15 -14.411 -6.712 -1.256 1.00 0.14 H new ATOM 0 HA VAL A 15 -16.958 -7.443 -0.553 1.00 24.33 H new ATOM 0 HB VAL A 15 -16.030 -4.657 -1.362 1.00 14.44 H new ATOM 0 HG11 VAL A 15 -17.688 -3.893 0.290 1.00 31.10 H new ATOM 0 HG12 VAL A 15 -18.445 -4.821 -1.027 1.00 31.10 H new ATOM 0 HG13 VAL A 15 -18.187 -5.579 0.563 1.00 31.10 H new ATOM 0 HG21 VAL A 15 -15.374 -4.388 0.996 1.00 20.45 H new ATOM 0 HG22 VAL A 15 -15.777 -6.095 1.298 1.00 20.45 H new ATOM 0 HG23 VAL A 15 -14.445 -5.677 0.194 1.00 20.45 H new ATOM 287 N ARG A 16 -16.894 -5.963 -3.524 1.00 54.13 N ATOM 288 CA ARG A 16 -17.636 -5.800 -4.769 1.00 14.44 C ATOM 289 C ARG A 16 -18.094 -7.151 -5.310 1.00 12.20 C ATOM 290 O ARG A 16 -19.292 -7.403 -5.445 1.00 65.31 O ATOM 291 CB ARG A 16 -16.774 -5.086 -5.811 1.00 54.24 C ATOM 292 CG ARG A 16 -16.812 -3.570 -5.698 1.00 64.55 C ATOM 293 CD ARG A 16 -17.781 -2.961 -6.699 1.00 12.10 C ATOM 294 NE ARG A 16 -17.434 -1.581 -7.026 1.00 52.42 N ATOM 295 CZ ARG A 16 -17.920 -0.930 -8.077 1.00 73.04 C ATOM 296 NH1 ARG A 16 -18.770 -1.531 -8.898 1.00 70.45 N ATOM 297 NH2 ARG A 16 -17.557 0.325 -8.309 1.00 1.14 N ATOM 0 H ARG A 16 -15.984 -5.501 -3.511 1.00 54.13 H new ATOM 0 HA ARG A 16 -18.518 -5.194 -4.561 1.00 14.44 H new ATOM 0 HB2 ARG A 16 -15.743 -5.424 -5.710 1.00 54.24 H new ATOM 0 HB3 ARG A 16 -17.108 -5.376 -6.807 1.00 54.24 H new ATOM 0 HG2 ARG A 16 -17.105 -3.287 -4.687 1.00 64.55 H new ATOM 0 HG3 ARG A 16 -15.813 -3.166 -5.865 1.00 64.55 H new ATOM 0 HD2 ARG A 16 -17.785 -3.559 -7.610 1.00 12.10 H new ATOM 0 HD3 ARG A 16 -18.791 -2.994 -6.292 1.00 12.10 H new ATOM 0 HE ARG A 16 -16.783 -1.090 -6.414 1.00 52.42 H new ATOM 0 HH11 ARG A 16 -19.052 -2.495 -8.723 1.00 70.45 H new ATOM 0 HH12 ARG A 16 -19.142 -1.029 -9.704 1.00 70.45 H new ATOM 0 HH21 ARG A 16 -16.904 0.792 -7.680 1.00 1.14 H new ATOM 0 HH22 ARG A 16 -17.931 0.823 -9.117 1.00 1.14 H new ATOM 311 N ASP A 17 -17.133 -8.015 -5.618 1.00 54.35 N ATOM 312 CA ASP A 17 -17.437 -9.340 -6.145 1.00 33.43 C ATOM 313 C ASP A 17 -18.439 -10.064 -5.250 1.00 52.42 C ATOM 314 O ASP A 17 -19.355 -10.727 -5.736 1.00 4.23 O ATOM 315 CB ASP A 17 -16.157 -10.168 -6.271 1.00 73.11 C ATOM 316 CG ASP A 17 -16.431 -11.595 -6.705 1.00 1.32 C ATOM 317 OD1 ASP A 17 -17.157 -11.783 -7.704 1.00 1.33 O ATOM 318 OD2 ASP A 17 -15.918 -12.523 -6.046 1.00 73.30 O ATOM 0 H ASP A 17 -16.137 -7.822 -5.512 1.00 54.35 H new ATOM 0 HA ASP A 17 -17.881 -9.218 -7.133 1.00 33.43 H new ATOM 0 HB2 ASP A 17 -15.490 -9.694 -6.991 1.00 73.11 H new ATOM 0 HB3 ASP A 17 -15.637 -10.176 -5.313 1.00 73.11 H new ATOM 323 N GLY A 18 -18.258 -9.931 -3.940 1.00 32.45 N ATOM 324 CA GLY A 18 -19.153 -10.579 -2.998 1.00 41.40 C ATOM 325 C GLY A 18 -20.566 -10.036 -3.075 1.00 33.14 C ATOM 326 O GLY A 18 -21.533 -10.799 -3.057 1.00 23.05 O ATOM 0 H GLY A 18 -17.508 -9.387 -3.514 1.00 32.45 H new ATOM 0 HA2 GLY A 18 -19.168 -11.651 -3.194 1.00 41.40 H new ATOM 0 HA3 GLY A 18 -18.770 -10.445 -1.986 1.00 41.40 H new ATOM 330 N ILE A 19 -20.688 -8.716 -3.159 1.00 3.34 N ATOM 331 CA ILE A 19 -21.993 -8.073 -3.237 1.00 54.44 C ATOM 332 C ILE A 19 -22.652 -8.329 -4.588 1.00 70.45 C ATOM 333 O ILE A 19 -23.871 -8.479 -4.677 1.00 70.15 O ATOM 334 CB ILE A 19 -21.887 -6.553 -3.011 1.00 40.13 C ATOM 335 CG1 ILE A 19 -21.275 -6.261 -1.640 1.00 11.14 C ATOM 336 CG2 ILE A 19 -23.256 -5.902 -3.136 1.00 53.30 C ATOM 337 CD1 ILE A 19 -20.674 -4.877 -1.528 1.00 72.22 C ATOM 0 H ILE A 19 -19.898 -8.071 -3.175 1.00 3.34 H new ATOM 0 HA ILE A 19 -22.606 -8.508 -2.447 1.00 54.44 H new ATOM 0 HB ILE A 19 -21.235 -6.131 -3.776 1.00 40.13 H new ATOM 0 HG12 ILE A 19 -22.044 -6.377 -0.876 1.00 11.14 H new ATOM 0 HG13 ILE A 19 -20.503 -7.001 -1.431 1.00 11.14 H new ATOM 0 HG21 ILE A 19 -23.164 -4.828 -2.974 1.00 53.30 H new ATOM 0 HG22 ILE A 19 -23.656 -6.085 -4.133 1.00 53.30 H new ATOM 0 HG23 ILE A 19 -23.930 -6.325 -2.391 1.00 53.30 H new ATOM 0 HD11 ILE A 19 -20.259 -4.740 -0.529 1.00 72.22 H new ATOM 0 HD12 ILE A 19 -19.882 -4.763 -2.269 1.00 72.22 H new ATOM 0 HD13 ILE A 19 -21.447 -4.129 -1.705 1.00 72.22 H new ATOM 349 N ILE A 20 -21.838 -8.381 -5.637 1.00 42.32 N ATOM 350 CA ILE A 20 -22.341 -8.623 -6.983 1.00 53.45 C ATOM 351 C ILE A 20 -22.746 -10.081 -7.165 1.00 74.40 C ATOM 352 O ILE A 20 -23.797 -10.380 -7.733 1.00 52.31 O ATOM 353 CB ILE A 20 -21.293 -8.256 -8.051 1.00 32.02 C ATOM 354 CG1 ILE A 20 -20.901 -6.782 -7.927 1.00 74.11 C ATOM 355 CG2 ILE A 20 -21.830 -8.552 -9.443 1.00 65.14 C ATOM 356 CD1 ILE A 20 -19.562 -6.458 -8.551 1.00 71.54 C ATOM 0 H ILE A 20 -20.827 -8.259 -5.580 1.00 42.32 H new ATOM 0 HA ILE A 20 -23.217 -7.986 -7.111 1.00 53.45 H new ATOM 0 HB ILE A 20 -20.403 -8.864 -7.890 1.00 32.02 H new ATOM 0 HG12 ILE A 20 -21.670 -6.169 -8.398 1.00 74.11 H new ATOM 0 HG13 ILE A 20 -20.877 -6.508 -6.872 1.00 74.11 H new ATOM 0 HG21 ILE A 20 -21.078 -8.288 -10.187 1.00 65.14 H new ATOM 0 HG22 ILE A 20 -22.064 -9.614 -9.525 1.00 65.14 H new ATOM 0 HG23 ILE A 20 -22.733 -7.967 -9.616 1.00 65.14 H new ATOM 0 HD11 ILE A 20 -19.349 -5.396 -8.425 1.00 71.54 H new ATOM 0 HD12 ILE A 20 -18.782 -7.044 -8.064 1.00 71.54 H new ATOM 0 HD13 ILE A 20 -19.588 -6.700 -9.614 1.00 71.54 H new ATOM 368 N LYS A 21 -21.907 -10.988 -6.677 1.00 24.10 N ATOM 369 CA LYS A 21 -22.177 -12.417 -6.782 1.00 32.04 C ATOM 370 C LYS A 21 -23.345 -12.817 -5.885 1.00 51.45 C ATOM 371 O LYS A 21 -24.365 -13.312 -6.364 1.00 12.25 O ATOM 372 CB LYS A 21 -20.932 -13.222 -6.403 1.00 43.24 C ATOM 373 CG LYS A 21 -21.133 -14.725 -6.478 1.00 33.41 C ATOM 374 CD LYS A 21 -19.938 -15.418 -7.112 1.00 12.43 C ATOM 375 CE LYS A 21 -19.978 -16.920 -6.881 1.00 24.41 C ATOM 376 NZ LYS A 21 -19.001 -17.348 -5.841 1.00 14.33 N ATOM 0 H LYS A 21 -21.033 -10.758 -6.204 1.00 24.10 H new ATOM 0 HA LYS A 21 -22.443 -12.636 -7.816 1.00 32.04 H new ATOM 0 HB2 LYS A 21 -20.112 -12.940 -7.064 1.00 43.24 H new ATOM 0 HB3 LYS A 21 -20.631 -12.954 -5.390 1.00 43.24 H new ATOM 0 HG2 LYS A 21 -21.295 -15.122 -5.476 1.00 33.41 H new ATOM 0 HG3 LYS A 21 -22.031 -14.944 -7.056 1.00 33.41 H new ATOM 0 HD2 LYS A 21 -19.923 -15.214 -8.183 1.00 12.43 H new ATOM 0 HD3 LYS A 21 -19.017 -15.009 -6.697 1.00 12.43 H new ATOM 0 HE2 LYS A 21 -20.983 -17.214 -6.578 1.00 24.41 H new ATOM 0 HE3 LYS A 21 -19.763 -17.437 -7.816 1.00 24.41 H new ATOM 0 HZ1 LYS A 21 -19.059 -18.378 -5.713 1.00 14.33 H new ATOM 0 HZ2 LYS A 21 -18.039 -17.090 -6.141 1.00 14.33 H new ATOM 0 HZ3 LYS A 21 -19.221 -16.874 -4.942 1.00 14.33 H new ATOM 421 N ALA A 25 -29.355 -7.968 -1.736 1.00 12.43 N ATOM 422 CA ALA A 25 -29.959 -8.113 -0.417 1.00 3.42 C ATOM 423 C ALA A 25 -29.010 -7.634 0.677 1.00 63.42 C ATOM 424 O ALA A 25 -29.444 -7.142 1.718 1.00 31.53 O ATOM 425 CB ALA A 25 -30.358 -9.561 -0.176 1.00 12.24 C ATOM 0 HA ALA A 25 -30.853 -7.491 -0.383 1.00 3.42 H new ATOM 0 HB1 ALA A 25 -30.808 -9.655 0.813 1.00 12.24 H new ATOM 0 HB2 ALA A 25 -31.078 -9.871 -0.933 1.00 12.24 H new ATOM 0 HB3 ALA A 25 -29.474 -10.196 -0.234 1.00 12.24 H new ATOM 431 N VAL A 26 -27.711 -7.783 0.434 1.00 52.23 N ATOM 432 CA VAL A 26 -26.700 -7.366 1.398 1.00 14.40 C ATOM 433 C VAL A 26 -26.928 -5.926 1.845 1.00 13.00 C ATOM 434 O VAL A 26 -26.743 -5.592 3.015 1.00 45.33 O ATOM 435 CB VAL A 26 -25.281 -7.491 0.813 1.00 30.32 C ATOM 436 CG1 VAL A 26 -25.167 -6.708 -0.486 1.00 12.13 C ATOM 437 CG2 VAL A 26 -24.246 -7.019 1.823 1.00 64.34 C ATOM 0 H VAL A 26 -27.335 -8.189 -0.422 1.00 52.23 H new ATOM 0 HA VAL A 26 -26.790 -8.030 2.258 1.00 14.40 H new ATOM 0 HB VAL A 26 -25.088 -8.541 0.593 1.00 30.32 H new ATOM 0 HG11 VAL A 26 -24.157 -6.809 -0.884 1.00 12.13 H new ATOM 0 HG12 VAL A 26 -25.883 -7.098 -1.210 1.00 12.13 H new ATOM 0 HG13 VAL A 26 -25.379 -5.656 -0.296 1.00 12.13 H new ATOM 0 HG21 VAL A 26 -23.249 -7.114 1.393 1.00 64.34 H new ATOM 0 HG22 VAL A 26 -24.434 -5.976 2.076 1.00 64.34 H new ATOM 0 HG23 VAL A 26 -24.313 -7.629 2.724 1.00 64.34 H new ATOM 447 N ALA A 27 -27.333 -5.077 0.905 1.00 23.55 N ATOM 448 CA ALA A 27 -27.589 -3.674 1.203 1.00 42.30 C ATOM 449 C ALA A 27 -28.818 -3.516 2.092 1.00 63.21 C ATOM 450 O ALA A 27 -28.740 -2.946 3.180 1.00 31.34 O ATOM 451 CB ALA A 27 -27.763 -2.884 -0.086 1.00 62.31 C ATOM 0 H ALA A 27 -27.491 -5.337 -0.069 1.00 23.55 H new ATOM 0 HA ALA A 27 -26.729 -3.281 1.745 1.00 42.30 H new ATOM 0 HB1 ALA A 27 -27.954 -1.837 0.152 1.00 62.31 H new ATOM 0 HB2 ALA A 27 -26.856 -2.961 -0.685 1.00 62.31 H new ATOM 0 HB3 ALA A 27 -28.605 -3.287 -0.649 1.00 62.31 H new ATOM 457 N VAL A 28 -29.952 -4.024 1.621 1.00 72.40 N ATOM 458 CA VAL A 28 -31.198 -3.940 2.374 1.00 71.44 C ATOM 459 C VAL A 28 -31.044 -4.553 3.761 1.00 12.22 C ATOM 460 O VAL A 28 -31.610 -4.058 4.736 1.00 33.42 O ATOM 461 CB VAL A 28 -32.349 -4.651 1.636 1.00 45.43 C ATOM 462 CG1 VAL A 28 -33.669 -4.417 2.355 1.00 64.45 C ATOM 463 CG2 VAL A 28 -32.427 -4.178 0.192 1.00 13.41 C ATOM 0 H VAL A 28 -30.034 -4.498 0.722 1.00 72.40 H new ATOM 0 HA VAL A 28 -31.438 -2.881 2.472 1.00 71.44 H new ATOM 0 HB VAL A 28 -32.150 -5.723 1.633 1.00 45.43 H new ATOM 0 HG11 VAL A 28 -34.470 -4.926 1.820 1.00 64.45 H new ATOM 0 HG12 VAL A 28 -33.605 -4.809 3.370 1.00 64.45 H new ATOM 0 HG13 VAL A 28 -33.879 -3.348 2.391 1.00 64.45 H new ATOM 0 HG21 VAL A 28 -33.245 -4.690 -0.315 1.00 13.41 H new ATOM 0 HG22 VAL A 28 -32.603 -3.103 0.170 1.00 13.41 H new ATOM 0 HG23 VAL A 28 -31.489 -4.402 -0.315 1.00 13.41 H new ATOM 473 N VAL A 29 -30.273 -5.633 3.843 1.00 15.23 N ATOM 474 CA VAL A 29 -30.043 -6.313 5.112 1.00 10.23 C ATOM 475 C VAL A 29 -29.081 -5.523 5.992 1.00 1.13 C ATOM 476 O VAL A 29 -29.416 -5.147 7.115 1.00 50.13 O ATOM 477 CB VAL A 29 -29.478 -7.729 4.895 1.00 30.25 C ATOM 478 CG1 VAL A 29 -29.211 -8.408 6.230 1.00 3.23 C ATOM 479 CG2 VAL A 29 -30.431 -8.558 4.048 1.00 62.52 C ATOM 0 H VAL A 29 -29.797 -6.056 3.046 1.00 15.23 H new ATOM 0 HA VAL A 29 -31.009 -6.388 5.611 1.00 10.23 H new ATOM 0 HB VAL A 29 -28.531 -7.646 4.361 1.00 30.25 H new ATOM 0 HG11 VAL A 29 -28.812 -9.407 6.057 1.00 3.23 H new ATOM 0 HG12 VAL A 29 -28.488 -7.822 6.798 1.00 3.23 H new ATOM 0 HG13 VAL A 29 -30.141 -8.481 6.793 1.00 3.23 H new ATOM 0 HG21 VAL A 29 -30.016 -9.556 3.904 1.00 62.52 H new ATOM 0 HG22 VAL A 29 -31.394 -8.635 4.553 1.00 62.52 H new ATOM 0 HG23 VAL A 29 -30.567 -8.079 3.079 1.00 62.52 H new ATOM 489 N GLY A 30 -27.882 -5.274 5.474 1.00 1.01 N ATOM 490 CA GLY A 30 -26.889 -4.529 6.226 1.00 22.41 C ATOM 491 C GLY A 30 -27.401 -3.178 6.683 1.00 30.14 C ATOM 492 O GLY A 30 -27.257 -2.816 7.851 1.00 43.24 O ATOM 0 H GLY A 30 -27.581 -5.575 4.547 1.00 1.01 H new ATOM 0 HA2 GLY A 30 -26.584 -5.111 7.095 1.00 22.41 H new ATOM 0 HA3 GLY A 30 -26.001 -4.388 5.609 1.00 22.41 H new ATOM 496 N GLN A 31 -27.999 -2.431 5.761 1.00 12.33 N ATOM 497 CA GLN A 31 -28.532 -1.111 6.077 1.00 41.54 C ATOM 498 C GLN A 31 -29.530 -1.187 7.227 1.00 12.11 C ATOM 499 O GLN A 31 -29.302 -0.626 8.298 1.00 24.13 O ATOM 500 CB GLN A 31 -29.202 -0.500 4.844 1.00 23.03 C ATOM 501 CG GLN A 31 -29.308 1.016 4.897 1.00 24.55 C ATOM 502 CD GLN A 31 -29.665 1.623 3.555 1.00 14.04 C ATOM 503 OE1 GLN A 31 -28.827 1.712 2.658 1.00 51.01 O ATOM 504 NE2 GLN A 31 -30.916 2.045 3.411 1.00 51.00 N ATOM 0 H GLN A 31 -28.127 -2.717 4.790 1.00 12.33 H new ATOM 0 HA GLN A 31 -27.701 -0.476 6.383 1.00 41.54 H new ATOM 0 HB2 GLN A 31 -28.639 -0.786 3.956 1.00 23.03 H new ATOM 0 HB3 GLN A 31 -30.201 -0.922 4.737 1.00 23.03 H new ATOM 0 HG2 GLN A 31 -30.062 1.298 5.631 1.00 24.55 H new ATOM 0 HG3 GLN A 31 -28.360 1.431 5.239 1.00 24.55 H new ATOM 0 HE21 GLN A 31 -31.578 1.951 4.182 1.00 51.00 H new ATOM 0 HE22 GLN A 31 -31.215 2.463 2.530 1.00 51.00 H new ATOM 513 N ALA A 32 -30.638 -1.884 6.997 1.00 20.34 N ATOM 514 CA ALA A 32 -31.670 -2.035 8.015 1.00 34.32 C ATOM 515 C ALA A 32 -31.085 -2.574 9.316 1.00 65.52 C ATOM 516 O ALA A 32 -31.412 -2.095 10.401 1.00 71.22 O ATOM 517 CB ALA A 32 -32.777 -2.951 7.513 1.00 62.01 C ATOM 0 H ALA A 32 -30.844 -2.353 6.115 1.00 20.34 H new ATOM 0 HA ALA A 32 -32.091 -1.050 8.217 1.00 34.32 H new ATOM 0 HB1 ALA A 32 -33.541 -3.055 8.284 1.00 62.01 H new ATOM 0 HB2 ALA A 32 -33.223 -2.524 6.615 1.00 62.01 H new ATOM 0 HB3 ALA A 32 -32.361 -3.931 7.281 1.00 62.01 H new ATOM 523 N ALA A 33 -30.217 -3.574 9.199 1.00 61.43 N ATOM 524 CA ALA A 33 -29.585 -4.178 10.365 1.00 3.33 C ATOM 525 C ALA A 33 -28.788 -3.144 11.154 1.00 14.23 C ATOM 526 O ALA A 33 -28.896 -3.063 12.379 1.00 71.25 O ATOM 527 CB ALA A 33 -28.685 -5.329 9.942 1.00 45.14 C ATOM 0 H ALA A 33 -29.936 -3.983 8.308 1.00 61.43 H new ATOM 0 HA ALA A 33 -30.371 -4.566 11.013 1.00 3.33 H new ATOM 0 HB1 ALA A 33 -28.220 -5.770 10.824 1.00 45.14 H new ATOM 0 HB2 ALA A 33 -29.279 -6.085 9.428 1.00 45.14 H new ATOM 0 HB3 ALA A 33 -27.911 -4.958 9.271 1.00 45.14 H new ATOM 533 N THR A 34 -27.988 -2.354 10.446 1.00 44.31 N ATOM 534 CA THR A 34 -27.172 -1.326 11.080 1.00 24.11 C ATOM 535 C THR A 34 -28.038 -0.205 11.642 1.00 51.34 C ATOM 536 O THR A 34 -27.754 0.338 12.710 1.00 70.34 O ATOM 537 CB THR A 34 -26.154 -0.727 10.091 1.00 50.10 C ATOM 538 OG1 THR A 34 -26.839 -0.148 8.975 1.00 44.15 O ATOM 539 CG2 THR A 34 -25.184 -1.792 9.601 1.00 12.40 C ATOM 0 H THR A 34 -27.887 -2.406 9.432 1.00 44.31 H new ATOM 0 HA THR A 34 -26.634 -1.809 11.896 1.00 24.11 H new ATOM 0 HB THR A 34 -25.587 0.046 10.610 1.00 50.10 H new ATOM 0 HG1 THR A 34 -27.745 -0.517 8.920 1.00 44.15 H new ATOM 0 HG21 THR A 34 -24.475 -1.345 8.904 1.00 12.40 H new ATOM 0 HG22 THR A 34 -24.644 -2.210 10.450 1.00 12.40 H new ATOM 0 HG23 THR A 34 -25.738 -2.584 9.097 1.00 12.40 H new ATOM 547 N VAL A 35 -29.097 0.139 10.916 1.00 74.55 N ATOM 548 CA VAL A 35 -30.007 1.195 11.343 1.00 72.24 C ATOM 549 C VAL A 35 -30.793 0.776 12.580 1.00 3.44 C ATOM 550 O VAL A 35 -30.987 1.568 13.503 1.00 51.43 O ATOM 551 CB VAL A 35 -30.996 1.570 10.223 1.00 13.21 C ATOM 552 CG1 VAL A 35 -31.960 2.646 10.700 1.00 31.24 C ATOM 553 CG2 VAL A 35 -30.246 2.028 8.981 1.00 31.14 C ATOM 0 H VAL A 35 -29.346 -0.299 10.029 1.00 74.55 H new ATOM 0 HA VAL A 35 -29.394 2.064 11.583 1.00 72.24 H new ATOM 0 HB VAL A 35 -31.576 0.685 9.963 1.00 13.21 H new ATOM 0 HG11 VAL A 35 -32.651 2.898 9.896 1.00 31.24 H new ATOM 0 HG12 VAL A 35 -32.521 2.277 11.558 1.00 31.24 H new ATOM 0 HG13 VAL A 35 -31.399 3.535 10.988 1.00 31.24 H new ATOM 0 HG21 VAL A 35 -30.960 2.289 8.200 1.00 31.14 H new ATOM 0 HG22 VAL A 35 -29.639 2.900 9.224 1.00 31.14 H new ATOM 0 HG23 VAL A 35 -29.601 1.223 8.628 1.00 31.14 H new ATOM 563 N VAL A 36 -31.242 -0.474 12.595 1.00 73.55 N ATOM 564 CA VAL A 36 -32.006 -1.000 13.720 1.00 3.21 C ATOM 565 C VAL A 36 -31.098 -1.303 14.907 1.00 44.44 C ATOM 566 O VAL A 36 -31.388 -0.918 16.039 1.00 0.34 O ATOM 567 CB VAL A 36 -32.769 -2.280 13.332 1.00 61.11 C ATOM 568 CG1 VAL A 36 -33.532 -2.830 14.527 1.00 32.11 C ATOM 569 CG2 VAL A 36 -33.709 -2.007 12.168 1.00 55.01 C ATOM 0 H VAL A 36 -31.090 -1.143 11.840 1.00 73.55 H new ATOM 0 HA VAL A 36 -32.724 -0.230 14.002 1.00 3.21 H new ATOM 0 HB VAL A 36 -32.046 -3.032 13.016 1.00 61.11 H new ATOM 0 HG11 VAL A 36 -34.065 -3.734 14.233 1.00 32.11 H new ATOM 0 HG12 VAL A 36 -32.832 -3.065 15.329 1.00 32.11 H new ATOM 0 HG13 VAL A 36 -34.247 -2.085 14.877 1.00 32.11 H new ATOM 0 HG21 VAL A 36 -34.240 -2.922 11.907 1.00 55.01 H new ATOM 0 HG22 VAL A 36 -34.428 -1.239 12.453 1.00 55.01 H new ATOM 0 HG23 VAL A 36 -33.133 -1.664 11.308 1.00 55.01 H new ATOM 579 N LYS A 37 -29.995 -1.995 14.639 1.00 13.24 N ATOM 580 CA LYS A 37 -29.042 -2.349 15.684 1.00 44.12 C ATOM 581 C LYS A 37 -27.934 -1.305 15.786 1.00 62.43 C ATOM 582 O LYS A 37 -27.905 -0.506 16.722 1.00 25.30 O ATOM 583 CB LYS A 37 -28.435 -3.726 15.404 1.00 54.00 C ATOM 584 CG LYS A 37 -29.471 -4.799 15.115 1.00 41.01 C ATOM 585 CD LYS A 37 -28.818 -6.103 14.688 1.00 72.03 C ATOM 586 CE LYS A 37 -29.675 -6.850 13.677 1.00 20.22 C ATOM 587 NZ LYS A 37 -31.042 -7.122 14.202 1.00 23.43 N ATOM 0 H LYS A 37 -29.740 -2.321 13.707 1.00 13.24 H new ATOM 0 HA LYS A 37 -29.577 -2.380 16.633 1.00 44.12 H new ATOM 0 HB2 LYS A 37 -27.757 -3.649 14.554 1.00 54.00 H new ATOM 0 HB3 LYS A 37 -27.837 -4.032 16.262 1.00 54.00 H new ATOM 0 HG2 LYS A 37 -30.078 -4.969 16.004 1.00 41.01 H new ATOM 0 HG3 LYS A 37 -30.144 -4.454 14.330 1.00 41.01 H new ATOM 0 HD2 LYS A 37 -27.839 -5.896 14.255 1.00 72.03 H new ATOM 0 HD3 LYS A 37 -28.653 -6.732 15.563 1.00 72.03 H new ATOM 0 HE2 LYS A 37 -29.748 -6.265 12.760 1.00 20.22 H new ATOM 0 HE3 LYS A 37 -29.192 -7.792 13.417 1.00 20.22 H new ATOM 0 HZ1 LYS A 37 -31.537 -7.774 13.560 1.00 23.43 H new ATOM 0 HZ2 LYS A 37 -30.972 -7.552 15.146 1.00 23.43 H new ATOM 0 HZ3 LYS A 37 -31.573 -6.230 14.267 1.00 23.43 H new