USER MOD reduce.3.24.130724 H: found=0, std=0, add=394, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 392 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 110 TYR OH : rot -159:sc= 1.16 USER MOD Set 1.2: A 121 HIS : no HE2:sc= 0.744 K(o=1.9,f=-1) USER MOD Set 2.1: A 97 LYS NZ :NH3+ 180:sc= 0.918 (180deg=-0.0401) USER MOD Set 2.2: A 101 GLN : amide:sc= 0.694 K(o=1.6,f=-5.8!) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.492 USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 LYS NZ :NH3+ -179:sc= 1.3 (180deg=1.28) USER MOD Single : A 113 LYS NZ :NH3+ -130:sc= -0.0193 (180deg=-0.664) USER MOD Single : A 116 SER OG : rot 180:sc= 0.00425 USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 LYS NZ :NH3+ -127:sc= -0.128 (180deg=-1) USER MOD Single : A 128 LYS NZ :NH3+ -145:sc= 1.22 (180deg=0.432) USER MOD Single : A 129 GLN : amide:sc= -0.216 X(o=-0.22,f=-0.11) USER MOD Single : A 130 CYS SG : rot 104:sc= 0.0845 USER MOD Single : A 135 HIS : no HD1:sc= -0.196 X(o=-0.2,f=-0.12) USER MOD Single : A 136 ASN : amide:sc= 1.13 K(o=1.1,f=-0.00027) USER MOD Single : A 137 HIS : no HE2:sc= -0.376 K(o=-0.38,f=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 84 N TRP A 95 13.291 -9.500 -12.958 1.00 0.00 N ATOM 85 CA TRP A 95 14.452 -9.249 -13.798 1.00 0.00 C ATOM 86 C TRP A 95 14.075 -9.365 -15.273 1.00 0.00 C ATOM 87 O TRP A 95 12.995 -9.855 -15.607 1.00 0.00 O ATOM 88 CB TRP A 95 15.543 -10.263 -13.446 1.00 0.00 C ATOM 89 CG TRP A 95 16.408 -9.869 -12.297 1.00 0.00 C ATOM 90 CD1 TRP A 95 16.038 -9.837 -11.005 1.00 0.00 C ATOM 91 CD2 TRP A 95 17.798 -9.433 -12.312 1.00 0.00 C ATOM 92 NE1 TRP A 95 17.075 -9.418 -10.207 1.00 0.00 N ATOM 93 CE2 TRP A 95 18.199 -9.149 -10.969 1.00 0.00 C ATOM 94 CE3 TRP A 95 18.767 -9.243 -13.322 1.00 0.00 C ATOM 95 CZ2 TRP A 95 19.481 -8.699 -10.651 1.00 0.00 C ATOM 96 CZ3 TRP A 95 20.060 -8.787 -13.006 1.00 0.00 C ATOM 97 CH2 TRP A 95 20.416 -8.514 -11.673 1.00 0.00 C ATOM 0 HA TRP A 95 14.820 -8.238 -13.622 1.00 0.00 H new ATOM 0 HB2 TRP A 95 15.072 -11.219 -13.218 1.00 0.00 H new ATOM 0 HB3 TRP A 95 16.173 -10.418 -14.322 1.00 0.00 H new ATOM 0 HD1 TRP A 95 15.057 -10.105 -10.643 1.00 0.00 H new ATOM 0 HE1 TRP A 95 17.024 -9.319 -9.193 1.00 0.00 H new ATOM 0 HE3 TRP A 95 18.512 -9.451 -14.351 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 19.748 -8.496 -9.625 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 20.785 -8.645 -13.794 1.00 0.00 H new ATOM 0 HH2 TRP A 95 21.410 -8.162 -11.440 1.00 0.00 H new ATOM 108 N THR A 96 14.982 -8.916 -16.153 1.00 0.00 N ATOM 109 CA THR A 96 14.779 -8.980 -17.594 1.00 0.00 C ATOM 110 C THR A 96 15.985 -9.664 -18.233 1.00 0.00 C ATOM 111 O THR A 96 17.068 -9.683 -17.650 1.00 0.00 O ATOM 112 CB THR A 96 14.591 -7.563 -18.164 1.00 0.00 C ATOM 113 OG1 THR A 96 15.848 -6.945 -18.341 1.00 0.00 O ATOM 114 CG2 THR A 96 13.742 -6.716 -17.212 1.00 0.00 C ATOM 0 H THR A 96 15.872 -8.501 -15.879 1.00 0.00 H new ATOM 0 HA THR A 96 13.880 -9.555 -17.817 1.00 0.00 H new ATOM 0 HB THR A 96 14.083 -7.641 -19.125 1.00 0.00 H new ATOM 0 HG1 THR A 96 15.721 -6.044 -18.706 1.00 0.00 H new ATOM 0 HG21 THR A 96 13.617 -5.716 -17.628 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.764 -7.181 -17.085 1.00 0.00 H new ATOM 0 HG23 THR A 96 14.239 -6.647 -16.245 1.00 0.00 H new ATOM 122 N LYS A 97 15.798 -10.223 -19.434 1.00 0.00 N ATOM 123 CA LYS A 97 16.875 -10.901 -20.140 1.00 0.00 C ATOM 124 C LYS A 97 18.044 -9.941 -20.353 1.00 0.00 C ATOM 125 O LYS A 97 19.193 -10.339 -20.230 1.00 0.00 O ATOM 126 CB LYS A 97 16.357 -11.427 -21.483 1.00 0.00 C ATOM 127 CG LYS A 97 17.376 -12.407 -22.083 1.00 0.00 C ATOM 128 CD LYS A 97 16.980 -12.756 -23.523 1.00 0.00 C ATOM 129 CE LYS A 97 17.537 -11.706 -24.494 1.00 0.00 C ATOM 130 NZ LYS A 97 18.980 -11.905 -24.731 1.00 0.00 N ATOM 0 H LYS A 97 14.908 -10.216 -19.932 1.00 0.00 H new ATOM 0 HA LYS A 97 17.226 -11.744 -19.545 1.00 0.00 H new ATOM 0 HB2 LYS A 97 15.397 -11.925 -21.344 1.00 0.00 H new ATOM 0 HB3 LYS A 97 16.189 -10.597 -22.169 1.00 0.00 H new ATOM 0 HG2 LYS A 97 18.372 -11.964 -22.068 1.00 0.00 H new ATOM 0 HG3 LYS A 97 17.421 -13.313 -21.479 1.00 0.00 H new ATOM 0 HD2 LYS A 97 17.362 -13.743 -23.784 1.00 0.00 H new ATOM 0 HD3 LYS A 97 15.894 -12.802 -23.609 1.00 0.00 H new ATOM 0 HE2 LYS A 97 17.000 -11.762 -25.441 1.00 0.00 H new ATOM 0 HE3 LYS A 97 17.367 -10.708 -24.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 19.327 -11.180 -25.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 19.494 -11.827 -23.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 19.138 -12.849 -25.139 1.00 0.00 H new ATOM 144 N GLU A 98 17.739 -8.677 -20.673 1.00 0.00 N ATOM 145 CA GLU A 98 18.760 -7.664 -20.914 1.00 0.00 C ATOM 146 C GLU A 98 19.528 -7.391 -19.620 1.00 0.00 C ATOM 147 O GLU A 98 20.758 -7.409 -19.613 1.00 0.00 O ATOM 148 CB GLU A 98 18.089 -6.386 -21.442 1.00 0.00 C ATOM 149 CG GLU A 98 19.053 -5.617 -22.358 1.00 0.00 C ATOM 150 CD GLU A 98 20.247 -5.068 -21.583 1.00 0.00 C ATOM 151 OE1 GLU A 98 19.999 -4.376 -20.572 1.00 0.00 O ATOM 152 OE2 GLU A 98 21.384 -5.348 -22.019 1.00 0.00 O ATOM 0 H GLU A 98 16.783 -8.335 -20.770 1.00 0.00 H new ATOM 0 HA GLU A 98 19.470 -8.017 -21.662 1.00 0.00 H new ATOM 0 HB2 GLU A 98 17.183 -6.643 -21.990 1.00 0.00 H new ATOM 0 HB3 GLU A 98 17.788 -5.754 -20.607 1.00 0.00 H new ATOM 0 HG2 GLU A 98 19.405 -6.276 -23.151 1.00 0.00 H new ATOM 0 HG3 GLU A 98 18.522 -4.796 -22.839 1.00 0.00 H new ATOM 159 N GLU A 99 18.797 -7.147 -18.524 1.00 0.00 N ATOM 160 CA GLU A 99 19.404 -6.887 -17.228 1.00 0.00 C ATOM 161 C GLU A 99 20.353 -8.035 -16.875 1.00 0.00 C ATOM 162 O GLU A 99 21.483 -7.805 -16.444 1.00 0.00 O ATOM 163 CB GLU A 99 18.291 -6.736 -16.181 1.00 0.00 C ATOM 164 CG GLU A 99 18.806 -5.958 -14.970 1.00 0.00 C ATOM 165 CD GLU A 99 17.690 -5.736 -13.957 1.00 0.00 C ATOM 166 OE1 GLU A 99 17.136 -6.752 -13.488 1.00 0.00 O ATOM 167 OE2 GLU A 99 17.409 -4.554 -13.668 1.00 0.00 O ATOM 0 H GLU A 99 17.777 -7.126 -18.518 1.00 0.00 H new ATOM 0 HA GLU A 99 19.984 -5.965 -17.252 1.00 0.00 H new ATOM 0 HB2 GLU A 99 17.438 -6.218 -16.619 1.00 0.00 H new ATOM 0 HB3 GLU A 99 17.940 -7.720 -15.868 1.00 0.00 H new ATOM 0 HG2 GLU A 99 19.625 -6.504 -14.502 1.00 0.00 H new ATOM 0 HG3 GLU A 99 19.207 -4.997 -15.293 1.00 0.00 H new ATOM 174 N ASP A 100 19.890 -9.275 -17.077 1.00 0.00 N ATOM 175 CA ASP A 100 20.696 -10.457 -16.821 1.00 0.00 C ATOM 176 C ASP A 100 21.899 -10.481 -17.765 1.00 0.00 C ATOM 177 O ASP A 100 23.004 -10.817 -17.347 1.00 0.00 O ATOM 178 CB ASP A 100 19.832 -11.708 -17.010 1.00 0.00 C ATOM 179 CG ASP A 100 19.121 -12.072 -15.721 1.00 0.00 C ATOM 180 OD1 ASP A 100 19.813 -12.561 -14.805 1.00 0.00 O ATOM 181 OD2 ASP A 100 17.894 -11.856 -15.670 1.00 0.00 O ATOM 0 H ASP A 100 18.951 -9.478 -17.420 1.00 0.00 H new ATOM 0 HA ASP A 100 21.067 -10.436 -15.796 1.00 0.00 H new ATOM 0 HB2 ASP A 100 19.099 -11.534 -17.798 1.00 0.00 H new ATOM 0 HB3 ASP A 100 20.456 -12.541 -17.334 1.00 0.00 H new ATOM 186 N GLN A 101 21.683 -10.121 -19.038 1.00 0.00 N ATOM 187 CA GLN A 101 22.750 -10.095 -20.032 1.00 0.00 C ATOM 188 C GLN A 101 23.887 -9.199 -19.549 1.00 0.00 C ATOM 189 O GLN A 101 25.057 -9.558 -19.672 1.00 0.00 O ATOM 190 CB GLN A 101 22.199 -9.582 -21.372 1.00 0.00 C ATOM 191 CG GLN A 101 22.895 -10.294 -22.533 1.00 0.00 C ATOM 192 CD GLN A 101 22.354 -11.711 -22.702 1.00 0.00 C ATOM 193 OE1 GLN A 101 21.219 -11.897 -23.140 1.00 0.00 O ATOM 194 NE2 GLN A 101 23.165 -12.711 -22.356 1.00 0.00 N ATOM 0 H GLN A 101 20.770 -9.843 -19.399 1.00 0.00 H new ATOM 0 HA GLN A 101 23.136 -11.105 -20.173 1.00 0.00 H new ATOM 0 HB2 GLN A 101 21.124 -9.754 -21.422 1.00 0.00 H new ATOM 0 HB3 GLN A 101 22.354 -8.506 -21.450 1.00 0.00 H new ATOM 0 HG2 GLN A 101 22.745 -9.730 -23.454 1.00 0.00 H new ATOM 0 HG3 GLN A 101 23.969 -10.329 -22.352 1.00 0.00 H new ATOM 0 HE21 GLN A 101 24.098 -12.510 -21.997 1.00 0.00 H new ATOM 0 HE22 GLN A 101 22.852 -13.677 -22.450 1.00 0.00 H new ATOM 203 N ARG A 102 23.537 -8.031 -19.000 1.00 0.00 N ATOM 204 CA ARG A 102 24.522 -7.085 -18.509 1.00 0.00 C ATOM 205 C ARG A 102 25.333 -7.721 -17.381 1.00 0.00 C ATOM 206 O ARG A 102 26.553 -7.619 -17.370 1.00 0.00 O ATOM 207 CB ARG A 102 23.823 -5.808 -18.026 1.00 0.00 C ATOM 208 CG ARG A 102 23.014 -5.176 -19.172 1.00 0.00 C ATOM 209 CD ARG A 102 23.687 -3.887 -19.653 1.00 0.00 C ATOM 210 NE ARG A 102 24.959 -4.171 -20.335 1.00 0.00 N ATOM 211 CZ ARG A 102 25.681 -3.225 -20.960 1.00 0.00 C ATOM 212 NH1 ARG A 102 25.259 -1.953 -20.968 1.00 0.00 N ATOM 213 NH2 ARG A 102 26.823 -3.552 -21.575 1.00 0.00 N ATOM 0 H ARG A 102 22.571 -7.725 -18.888 1.00 0.00 H new ATOM 0 HA ARG A 102 25.204 -6.819 -19.317 1.00 0.00 H new ATOM 0 HB2 ARG A 102 23.163 -6.041 -17.191 1.00 0.00 H new ATOM 0 HB3 ARG A 102 24.563 -5.097 -17.659 1.00 0.00 H new ATOM 0 HG2 ARG A 102 22.931 -5.881 -19.999 1.00 0.00 H new ATOM 0 HG3 ARG A 102 22.000 -4.960 -18.834 1.00 0.00 H new ATOM 0 HD2 ARG A 102 23.019 -3.356 -20.331 1.00 0.00 H new ATOM 0 HD3 ARG A 102 23.867 -3.229 -18.803 1.00 0.00 H new ATOM 0 HE ARG A 102 25.309 -5.129 -20.334 1.00 0.00 H new ATOM 0 HH11 ARG A 102 24.389 -1.701 -20.499 1.00 0.00 H new ATOM 0 HH12 ARG A 102 25.808 -1.236 -21.443 1.00 0.00 H new ATOM 0 HH21 ARG A 102 27.146 -4.519 -21.570 1.00 0.00 H new ATOM 0 HH22 ARG A 102 27.371 -2.834 -22.049 1.00 0.00 H new ATOM 227 N VAL A 103 24.658 -8.382 -16.431 1.00 0.00 N ATOM 228 CA VAL A 103 25.346 -9.031 -15.321 1.00 0.00 C ATOM 229 C VAL A 103 26.297 -10.101 -15.859 1.00 0.00 C ATOM 230 O VAL A 103 27.457 -10.137 -15.469 1.00 0.00 O ATOM 231 CB VAL A 103 24.324 -9.631 -14.347 1.00 0.00 C ATOM 232 CG1 VAL A 103 25.041 -10.495 -13.303 1.00 0.00 C ATOM 233 CG2 VAL A 103 23.581 -8.503 -13.633 1.00 0.00 C ATOM 0 H VAL A 103 23.643 -8.478 -16.414 1.00 0.00 H new ATOM 0 HA VAL A 103 25.935 -8.294 -14.775 1.00 0.00 H new ATOM 0 HB VAL A 103 23.619 -10.247 -14.906 1.00 0.00 H new ATOM 0 HG11 VAL A 103 24.308 -10.917 -12.615 1.00 0.00 H new ATOM 0 HG12 VAL A 103 25.576 -11.302 -13.804 1.00 0.00 H new ATOM 0 HG13 VAL A 103 25.749 -9.881 -12.747 1.00 0.00 H new ATOM 0 HG21 VAL A 103 22.854 -8.927 -12.940 1.00 0.00 H new ATOM 0 HG22 VAL A 103 24.294 -7.890 -13.081 1.00 0.00 H new ATOM 0 HG23 VAL A 103 23.064 -7.885 -14.368 1.00 0.00 H new ATOM 243 N ILE A 104 25.807 -10.966 -16.757 1.00 0.00 N ATOM 244 CA ILE A 104 26.632 -12.014 -17.352 1.00 0.00 C ATOM 245 C ILE A 104 27.901 -11.389 -17.942 1.00 0.00 C ATOM 246 O ILE A 104 29.011 -11.829 -17.644 1.00 0.00 O ATOM 247 CB ILE A 104 25.823 -12.748 -18.441 1.00 0.00 C ATOM 248 CG1 ILE A 104 24.740 -13.619 -17.790 1.00 0.00 C ATOM 249 CG2 ILE A 104 26.760 -13.630 -19.281 1.00 0.00 C ATOM 250 CD1 ILE A 104 23.731 -14.085 -18.845 1.00 0.00 C ATOM 0 H ILE A 104 24.841 -10.957 -17.085 1.00 0.00 H new ATOM 0 HA ILE A 104 26.923 -12.738 -16.591 1.00 0.00 H new ATOM 0 HB ILE A 104 25.348 -12.010 -19.088 1.00 0.00 H new ATOM 0 HG12 ILE A 104 25.198 -14.483 -17.308 1.00 0.00 H new ATOM 0 HG13 ILE A 104 24.228 -13.054 -17.011 1.00 0.00 H new ATOM 0 HG21 ILE A 104 26.183 -14.146 -20.048 1.00 0.00 H new ATOM 0 HG22 ILE A 104 27.519 -13.007 -19.755 1.00 0.00 H new ATOM 0 HG23 ILE A 104 27.244 -14.364 -18.636 1.00 0.00 H new ATOM 0 HD11 ILE A 104 22.968 -14.702 -18.371 1.00 0.00 H new ATOM 0 HD12 ILE A 104 23.261 -13.217 -19.307 1.00 0.00 H new ATOM 0 HD13 ILE A 104 24.246 -14.668 -19.609 1.00 0.00 H new ATOM 262 N GLU A 105 27.722 -10.358 -18.778 1.00 0.00 N ATOM 263 CA GLU A 105 28.829 -9.665 -19.420 1.00 0.00 C ATOM 264 C GLU A 105 29.822 -9.159 -18.373 1.00 0.00 C ATOM 265 O GLU A 105 31.009 -9.460 -18.447 1.00 0.00 O ATOM 266 CB GLU A 105 28.265 -8.491 -20.238 1.00 0.00 C ATOM 267 CG GLU A 105 29.391 -7.759 -20.985 1.00 0.00 C ATOM 268 CD GLU A 105 29.002 -6.312 -21.271 1.00 0.00 C ATOM 269 OE1 GLU A 105 27.808 -6.091 -21.572 1.00 0.00 O ATOM 270 OE2 GLU A 105 29.906 -5.448 -21.180 1.00 0.00 O ATOM 0 H GLU A 105 26.804 -9.987 -19.023 1.00 0.00 H new ATOM 0 HA GLU A 105 29.360 -10.351 -20.080 1.00 0.00 H new ATOM 0 HB2 GLU A 105 27.528 -8.859 -20.952 1.00 0.00 H new ATOM 0 HB3 GLU A 105 27.748 -7.795 -19.577 1.00 0.00 H new ATOM 0 HG2 GLU A 105 30.304 -7.784 -20.390 1.00 0.00 H new ATOM 0 HG3 GLU A 105 29.607 -8.274 -21.921 1.00 0.00 H new ATOM 277 N LEU A 106 29.332 -8.377 -17.410 1.00 0.00 N ATOM 278 CA LEU A 106 30.178 -7.766 -16.394 1.00 0.00 C ATOM 279 C LEU A 106 30.876 -8.822 -15.531 1.00 0.00 C ATOM 280 O LEU A 106 32.004 -8.603 -15.098 1.00 0.00 O ATOM 281 CB LEU A 106 29.327 -6.831 -15.530 1.00 0.00 C ATOM 282 CG LEU A 106 28.791 -5.664 -16.381 1.00 0.00 C ATOM 283 CD1 LEU A 106 27.695 -4.937 -15.601 1.00 0.00 C ATOM 284 CD2 LEU A 106 29.923 -4.686 -16.712 1.00 0.00 C ATOM 0 H LEU A 106 28.341 -8.152 -17.316 1.00 0.00 H new ATOM 0 HA LEU A 106 30.962 -7.193 -16.889 1.00 0.00 H new ATOM 0 HB2 LEU A 106 28.496 -7.384 -15.093 1.00 0.00 H new ATOM 0 HB3 LEU A 106 29.923 -6.444 -14.703 1.00 0.00 H new ATOM 0 HG LEU A 106 28.384 -6.056 -17.313 1.00 0.00 H new ATOM 0 HD11 LEU A 106 27.311 -4.110 -16.198 1.00 0.00 H new ATOM 0 HD12 LEU A 106 26.884 -5.631 -15.380 1.00 0.00 H new ATOM 0 HD13 LEU A 106 28.107 -4.551 -14.669 1.00 0.00 H new ATOM 0 HD21 LEU A 106 29.531 -3.866 -17.314 1.00 0.00 H new ATOM 0 HD22 LEU A 106 30.343 -4.289 -15.788 1.00 0.00 H new ATOM 0 HD23 LEU A 106 30.701 -5.206 -17.270 1.00 0.00 H new ATOM 296 N VAL A 107 30.223 -9.963 -15.277 1.00 0.00 N ATOM 297 CA VAL A 107 30.821 -11.018 -14.469 1.00 0.00 C ATOM 298 C VAL A 107 31.931 -11.699 -15.269 1.00 0.00 C ATOM 299 O VAL A 107 32.969 -12.041 -14.716 1.00 0.00 O ATOM 300 CB VAL A 107 29.741 -12.018 -14.027 1.00 0.00 C ATOM 301 CG1 VAL A 107 30.396 -13.293 -13.492 1.00 0.00 C ATOM 302 CG2 VAL A 107 28.898 -11.392 -12.911 1.00 0.00 C ATOM 0 H VAL A 107 29.286 -10.173 -15.620 1.00 0.00 H new ATOM 0 HA VAL A 107 31.262 -10.593 -13.567 1.00 0.00 H new ATOM 0 HB VAL A 107 29.112 -12.263 -14.883 1.00 0.00 H new ATOM 0 HG11 VAL A 107 29.623 -13.996 -13.181 1.00 0.00 H new ATOM 0 HG12 VAL A 107 31.005 -13.746 -14.275 1.00 0.00 H new ATOM 0 HG13 VAL A 107 31.027 -13.047 -12.638 1.00 0.00 H new ATOM 0 HG21 VAL A 107 28.131 -12.099 -12.595 1.00 0.00 H new ATOM 0 HG22 VAL A 107 29.539 -11.149 -12.064 1.00 0.00 H new ATOM 0 HG23 VAL A 107 28.424 -10.482 -13.280 1.00 0.00 H new ATOM 312 N GLN A 108 31.719 -11.884 -16.575 1.00 0.00 N ATOM 313 CA GLN A 108 32.728 -12.476 -17.441 1.00 0.00 C ATOM 314 C GLN A 108 33.899 -11.497 -17.591 1.00 0.00 C ATOM 315 O GLN A 108 35.057 -11.907 -17.642 1.00 0.00 O ATOM 316 CB GLN A 108 32.095 -12.784 -18.805 1.00 0.00 C ATOM 317 CG GLN A 108 33.091 -13.537 -19.694 1.00 0.00 C ATOM 318 CD GLN A 108 32.560 -13.662 -21.119 1.00 0.00 C ATOM 319 OE1 GLN A 108 32.972 -12.916 -22.004 1.00 0.00 O ATOM 320 NE2 GLN A 108 31.646 -14.604 -21.341 1.00 0.00 N ATOM 0 H GLN A 108 30.854 -11.630 -17.051 1.00 0.00 H new ATOM 0 HA GLN A 108 33.104 -13.404 -17.011 1.00 0.00 H new ATOM 0 HB2 GLN A 108 31.194 -13.382 -18.669 1.00 0.00 H new ATOM 0 HB3 GLN A 108 31.792 -11.857 -19.291 1.00 0.00 H new ATOM 0 HG2 GLN A 108 34.047 -13.013 -19.702 1.00 0.00 H new ATOM 0 HG3 GLN A 108 33.275 -14.529 -19.282 1.00 0.00 H new ATOM 0 HE21 GLN A 108 31.333 -15.201 -20.576 1.00 0.00 H new ATOM 0 HE22 GLN A 108 31.259 -14.729 -22.276 1.00 0.00 H new ATOM 329 N LYS A 109 33.578 -10.201 -17.667 1.00 0.00 N ATOM 330 CA LYS A 109 34.562 -9.147 -17.846 1.00 0.00 C ATOM 331 C LYS A 109 35.427 -8.989 -16.590 1.00 0.00 C ATOM 332 O LYS A 109 36.639 -9.181 -16.649 1.00 0.00 O ATOM 333 CB LYS A 109 33.811 -7.851 -18.174 1.00 0.00 C ATOM 334 CG LYS A 109 34.776 -6.785 -18.703 1.00 0.00 C ATOM 335 CD LYS A 109 34.027 -5.456 -18.897 1.00 0.00 C ATOM 336 CE LYS A 109 32.793 -5.667 -19.787 1.00 0.00 C ATOM 337 NZ LYS A 109 32.193 -4.384 -20.187 1.00 0.00 N ATOM 0 H LYS A 109 32.619 -9.859 -17.605 1.00 0.00 H new ATOM 0 HA LYS A 109 35.238 -9.397 -18.663 1.00 0.00 H new ATOM 0 HB2 LYS A 109 33.039 -8.050 -18.917 1.00 0.00 H new ATOM 0 HB3 LYS A 109 33.307 -7.481 -17.281 1.00 0.00 H new ATOM 0 HG2 LYS A 109 35.601 -6.649 -18.004 1.00 0.00 H new ATOM 0 HG3 LYS A 109 35.209 -7.110 -19.649 1.00 0.00 H new ATOM 0 HD2 LYS A 109 33.722 -5.057 -17.929 1.00 0.00 H new ATOM 0 HD3 LYS A 109 34.690 -4.719 -19.351 1.00 0.00 H new ATOM 0 HE2 LYS A 109 33.076 -6.231 -20.676 1.00 0.00 H new ATOM 0 HE3 LYS A 109 32.055 -6.264 -19.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 31.352 -4.562 -20.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 31.917 -3.850 -19.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 32.885 -3.832 -20.733 1.00 0.00 H new ATOM 351 N TYR A 110 34.804 -8.633 -15.458 1.00 0.00 N ATOM 352 CA TYR A 110 35.527 -8.432 -14.207 1.00 0.00 C ATOM 353 C TYR A 110 35.748 -9.774 -13.510 1.00 0.00 C ATOM 354 O TYR A 110 36.882 -10.223 -13.363 1.00 0.00 O ATOM 355 CB TYR A 110 34.737 -7.489 -13.288 1.00 0.00 C ATOM 356 CG TYR A 110 34.305 -6.184 -13.930 1.00 0.00 C ATOM 357 CD1 TYR A 110 35.145 -5.515 -14.843 1.00 0.00 C ATOM 358 CD2 TYR A 110 33.058 -5.629 -13.591 1.00 0.00 C ATOM 359 CE1 TYR A 110 34.731 -4.298 -15.413 1.00 0.00 C ATOM 360 CE2 TYR A 110 32.651 -4.416 -14.159 1.00 0.00 C ATOM 361 CZ TYR A 110 33.484 -3.748 -15.069 1.00 0.00 C ATOM 362 OH TYR A 110 33.084 -2.565 -15.617 1.00 0.00 O ATOM 0 H TYR A 110 33.798 -8.479 -15.389 1.00 0.00 H new ATOM 0 HA TYR A 110 36.495 -7.983 -14.427 1.00 0.00 H new ATOM 0 HB2 TYR A 110 33.850 -8.012 -12.931 1.00 0.00 H new ATOM 0 HB3 TYR A 110 35.347 -7.262 -12.414 1.00 0.00 H new ATOM 0 HD1 TYR A 110 36.105 -5.936 -15.104 1.00 0.00 H new ATOM 0 HD2 TYR A 110 32.413 -6.140 -12.891 1.00 0.00 H new ATOM 0 HE1 TYR A 110 35.372 -3.786 -16.116 1.00 0.00 H new ATOM 0 HE2 TYR A 110 31.693 -3.993 -13.896 1.00 0.00 H new ATOM 0 HH TYR A 110 32.387 -2.164 -15.057 1.00 0.00 H new ATOM 372 N GLY A 111 34.651 -10.400 -13.073 1.00 0.00 N ATOM 373 CA GLY A 111 34.697 -11.665 -12.360 1.00 0.00 C ATOM 374 C GLY A 111 33.455 -11.788 -11.475 1.00 0.00 C ATOM 375 O GLY A 111 32.695 -10.826 -11.344 1.00 0.00 O ATOM 0 H GLY A 111 33.707 -10.037 -13.208 1.00 0.00 H new ATOM 0 HA2 GLY A 111 34.738 -12.494 -13.067 1.00 0.00 H new ATOM 0 HA3 GLY A 111 35.599 -11.721 -11.751 1.00 0.00 H new ATOM 379 N PRO A 112 33.244 -12.967 -10.859 1.00 0.00 N ATOM 380 CA PRO A 112 32.121 -13.198 -9.971 1.00 0.00 C ATOM 381 C PRO A 112 32.220 -12.291 -8.742 1.00 0.00 C ATOM 382 O PRO A 112 33.225 -11.602 -8.554 1.00 0.00 O ATOM 383 CB PRO A 112 32.193 -14.681 -9.587 1.00 0.00 C ATOM 384 CG PRO A 112 33.508 -15.225 -10.160 1.00 0.00 C ATOM 385 CD PRO A 112 34.113 -14.111 -11.017 1.00 0.00 C ATOM 0 HA PRO A 112 31.167 -12.966 -10.446 1.00 0.00 H new ATOM 0 HB2 PRO A 112 32.164 -14.802 -8.504 1.00 0.00 H new ATOM 0 HB3 PRO A 112 31.340 -15.227 -9.991 1.00 0.00 H new ATOM 0 HG2 PRO A 112 34.190 -15.510 -9.359 1.00 0.00 H new ATOM 0 HG3 PRO A 112 33.328 -16.118 -10.758 1.00 0.00 H new ATOM 0 HD2 PRO A 112 35.127 -13.878 -10.693 1.00 0.00 H new ATOM 0 HD3 PRO A 112 34.174 -14.413 -12.063 1.00 0.00 H new ATOM 393 N LYS A 113 31.171 -12.294 -7.907 1.00 0.00 N ATOM 394 CA LYS A 113 31.121 -11.460 -6.711 1.00 0.00 C ATOM 395 C LYS A 113 31.185 -9.984 -7.125 1.00 0.00 C ATOM 396 O LYS A 113 30.685 -9.622 -8.188 1.00 0.00 O ATOM 397 CB LYS A 113 32.263 -11.840 -5.748 1.00 0.00 C ATOM 398 CG LYS A 113 32.245 -13.353 -5.493 1.00 0.00 C ATOM 399 CD LYS A 113 33.176 -13.711 -4.325 1.00 0.00 C ATOM 400 CE LYS A 113 34.642 -13.476 -4.716 1.00 0.00 C ATOM 401 NZ LYS A 113 35.104 -12.138 -4.301 1.00 0.00 N ATOM 0 H LYS A 113 30.342 -12.872 -8.045 1.00 0.00 H new ATOM 0 HA LYS A 113 30.185 -11.625 -6.178 1.00 0.00 H new ATOM 0 HB2 LYS A 113 33.223 -11.545 -6.172 1.00 0.00 H new ATOM 0 HB3 LYS A 113 32.152 -11.302 -4.807 1.00 0.00 H new ATOM 0 HG2 LYS A 113 31.229 -13.678 -5.269 1.00 0.00 H new ATOM 0 HG3 LYS A 113 32.559 -13.883 -6.392 1.00 0.00 H new ATOM 0 HD2 LYS A 113 32.924 -13.107 -3.453 1.00 0.00 H new ATOM 0 HD3 LYS A 113 33.031 -14.754 -4.043 1.00 0.00 H new ATOM 0 HE2 LYS A 113 35.270 -14.238 -4.254 1.00 0.00 H new ATOM 0 HE3 LYS A 113 34.753 -13.582 -5.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 35.560 -11.663 -5.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 34.291 -11.574 -3.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 35.787 -12.233 -3.522 1.00 0.00 H new ATOM 415 N ARG A 114 31.803 -9.140 -6.286 1.00 0.00 N ATOM 416 CA ARG A 114 31.954 -7.715 -6.570 1.00 0.00 C ATOM 417 C ARG A 114 30.594 -7.083 -6.868 1.00 0.00 C ATOM 418 O ARG A 114 30.415 -6.440 -7.905 1.00 0.00 O ATOM 419 CB ARG A 114 32.912 -7.521 -7.758 1.00 0.00 C ATOM 420 CG ARG A 114 34.318 -8.012 -7.396 1.00 0.00 C ATOM 421 CD ARG A 114 35.100 -8.327 -8.678 1.00 0.00 C ATOM 422 NE ARG A 114 34.911 -7.280 -9.696 1.00 0.00 N ATOM 423 CZ ARG A 114 35.527 -6.084 -9.655 1.00 0.00 C ATOM 424 NH1 ARG A 114 36.346 -5.779 -8.639 1.00 0.00 N ATOM 425 NH2 ARG A 114 35.320 -5.195 -10.634 1.00 0.00 N ATOM 0 H ARG A 114 32.209 -9.430 -5.396 1.00 0.00 H new ATOM 0 HA ARG A 114 32.374 -7.221 -5.694 1.00 0.00 H new ATOM 0 HB2 ARG A 114 32.541 -8.067 -8.625 1.00 0.00 H new ATOM 0 HB3 ARG A 114 32.948 -6.468 -8.036 1.00 0.00 H new ATOM 0 HG2 ARG A 114 34.841 -7.252 -6.816 1.00 0.00 H new ATOM 0 HG3 ARG A 114 34.253 -8.902 -6.770 1.00 0.00 H new ATOM 0 HD2 ARG A 114 36.160 -8.422 -8.445 1.00 0.00 H new ATOM 0 HD3 ARG A 114 34.774 -9.287 -9.077 1.00 0.00 H new ATOM 0 HE ARG A 114 34.279 -7.471 -10.474 1.00 0.00 H new ATOM 0 HH11 ARG A 114 36.505 -6.455 -7.892 1.00 0.00 H new ATOM 0 HH12 ARG A 114 36.810 -4.871 -8.613 1.00 0.00 H new ATOM 0 HH21 ARG A 114 34.697 -5.425 -11.408 1.00 0.00 H new ATOM 0 HH22 ARG A 114 35.785 -4.288 -10.606 1.00 0.00 H new ATOM 439 N TRP A 115 29.639 -7.262 -5.952 1.00 0.00 N ATOM 440 CA TRP A 115 28.299 -6.719 -6.114 1.00 0.00 C ATOM 441 C TRP A 115 28.283 -5.255 -5.686 1.00 0.00 C ATOM 442 O TRP A 115 27.545 -4.860 -4.785 1.00 0.00 O ATOM 443 CB TRP A 115 27.327 -7.576 -5.309 1.00 0.00 C ATOM 444 CG TRP A 115 27.470 -9.036 -5.591 1.00 0.00 C ATOM 445 CD1 TRP A 115 27.766 -9.985 -4.689 1.00 0.00 C ATOM 446 CD2 TRP A 115 27.376 -9.733 -6.870 1.00 0.00 C ATOM 447 NE1 TRP A 115 27.860 -11.219 -5.286 1.00 0.00 N ATOM 448 CE2 TRP A 115 27.633 -11.122 -6.648 1.00 0.00 C ATOM 449 CE3 TRP A 115 27.110 -9.338 -8.204 1.00 0.00 C ATOM 450 CZ2 TRP A 115 27.633 -12.057 -7.686 1.00 0.00 C ATOM 451 CZ3 TRP A 115 27.105 -10.280 -9.250 1.00 0.00 C ATOM 452 CH2 TRP A 115 27.373 -11.630 -8.993 1.00 0.00 C ATOM 0 H TRP A 115 29.776 -7.784 -5.086 1.00 0.00 H new ATOM 0 HA TRP A 115 27.988 -6.747 -7.158 1.00 0.00 H new ATOM 0 HB2 TRP A 115 27.489 -7.399 -4.246 1.00 0.00 H new ATOM 0 HB3 TRP A 115 26.306 -7.266 -5.532 1.00 0.00 H new ATOM 0 HD1 TRP A 115 27.911 -9.803 -3.634 1.00 0.00 H new ATOM 0 HE1 TRP A 115 28.068 -12.087 -4.793 1.00 0.00 H new ATOM 0 HE3 TRP A 115 26.908 -8.300 -8.422 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 27.832 -13.099 -7.482 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 26.893 -9.959 -10.259 1.00 0.00 H new ATOM 0 HH2 TRP A 115 27.379 -12.343 -9.804 1.00 0.00 H new ATOM 463 N SER A 116 29.114 -4.462 -6.361 1.00 0.00 N ATOM 464 CA SER A 116 29.241 -3.038 -6.123 1.00 0.00 C ATOM 465 C SER A 116 29.581 -2.380 -7.452 1.00 0.00 C ATOM 466 O SER A 116 28.869 -1.494 -7.915 1.00 0.00 O ATOM 467 CB SER A 116 30.334 -2.785 -5.081 1.00 0.00 C ATOM 468 OG SER A 116 31.490 -3.530 -5.411 1.00 0.00 O ATOM 0 H SER A 116 29.726 -4.805 -7.101 1.00 0.00 H new ATOM 0 HA SER A 116 28.314 -2.618 -5.733 1.00 0.00 H new ATOM 0 HB2 SER A 116 30.574 -1.722 -5.042 1.00 0.00 H new ATOM 0 HB3 SER A 116 29.978 -3.068 -4.090 1.00 0.00 H new ATOM 0 HG SER A 116 32.188 -3.364 -4.743 1.00 0.00 H new ATOM 474 N VAL A 117 30.672 -2.841 -8.076 1.00 0.00 N ATOM 475 CA VAL A 117 31.075 -2.365 -9.386 1.00 0.00 C ATOM 476 C VAL A 117 29.968 -2.704 -10.383 1.00 0.00 C ATOM 477 O VAL A 117 29.567 -1.863 -11.182 1.00 0.00 O ATOM 478 CB VAL A 117 32.407 -3.026 -9.783 1.00 0.00 C ATOM 479 CG1 VAL A 117 32.823 -2.563 -11.182 1.00 0.00 C ATOM 480 CG2 VAL A 117 33.496 -2.636 -8.776 1.00 0.00 C ATOM 0 H VAL A 117 31.291 -3.550 -7.682 1.00 0.00 H new ATOM 0 HA VAL A 117 31.226 -1.286 -9.378 1.00 0.00 H new ATOM 0 HB VAL A 117 32.279 -4.108 -9.784 1.00 0.00 H new ATOM 0 HG11 VAL A 117 33.767 -3.035 -11.456 1.00 0.00 H new ATOM 0 HG12 VAL A 117 32.054 -2.844 -11.902 1.00 0.00 H new ATOM 0 HG13 VAL A 117 32.945 -1.480 -11.186 1.00 0.00 H new ATOM 0 HG21 VAL A 117 34.438 -3.105 -9.059 1.00 0.00 H new ATOM 0 HG22 VAL A 117 33.617 -1.553 -8.772 1.00 0.00 H new ATOM 0 HG23 VAL A 117 33.208 -2.973 -7.780 1.00 0.00 H new ATOM 490 N ILE A 118 29.471 -3.945 -10.316 1.00 0.00 N ATOM 491 CA ILE A 118 28.396 -4.401 -11.181 1.00 0.00 C ATOM 492 C ILE A 118 27.129 -3.592 -10.887 1.00 0.00 C ATOM 493 O ILE A 118 26.445 -3.157 -11.808 1.00 0.00 O ATOM 494 CB ILE A 118 28.160 -5.905 -10.946 1.00 0.00 C ATOM 495 CG1 ILE A 118 29.411 -6.697 -11.369 1.00 0.00 C ATOM 496 CG2 ILE A 118 26.950 -6.376 -11.767 1.00 0.00 C ATOM 497 CD1 ILE A 118 29.364 -8.110 -10.787 1.00 0.00 C ATOM 0 H ILE A 118 29.806 -4.652 -9.662 1.00 0.00 H new ATOM 0 HA ILE A 118 28.664 -4.251 -12.227 1.00 0.00 H new ATOM 0 HB ILE A 118 27.964 -6.076 -9.887 1.00 0.00 H new ATOM 0 HG12 ILE A 118 29.469 -6.746 -12.456 1.00 0.00 H new ATOM 0 HG13 ILE A 118 30.309 -6.184 -11.025 1.00 0.00 H new ATOM 0 HG21 ILE A 118 26.787 -7.440 -11.597 1.00 0.00 H new ATOM 0 HG22 ILE A 118 26.064 -5.820 -11.461 1.00 0.00 H new ATOM 0 HG23 ILE A 118 27.139 -6.202 -12.826 1.00 0.00 H new ATOM 0 HD11 ILE A 118 30.254 -8.660 -11.093 1.00 0.00 H new ATOM 0 HD12 ILE A 118 29.329 -8.054 -9.699 1.00 0.00 H new ATOM 0 HD13 ILE A 118 28.476 -8.625 -11.153 1.00 0.00 H new ATOM 509 N ALA A 119 26.823 -3.395 -9.596 1.00 0.00 N ATOM 510 CA ALA A 119 25.634 -2.661 -9.178 1.00 0.00 C ATOM 511 C ALA A 119 25.649 -1.234 -9.737 1.00 0.00 C ATOM 512 O ALA A 119 24.617 -0.736 -10.178 1.00 0.00 O ATOM 513 CB ALA A 119 25.564 -2.640 -7.651 1.00 0.00 C ATOM 0 H ALA A 119 27.392 -3.740 -8.823 1.00 0.00 H new ATOM 0 HA ALA A 119 24.750 -3.162 -9.572 1.00 0.00 H new ATOM 0 HB1 ALA A 119 24.676 -2.092 -7.335 1.00 0.00 H new ATOM 0 HB2 ALA A 119 25.513 -3.662 -7.275 1.00 0.00 H new ATOM 0 HB3 ALA A 119 26.453 -2.151 -7.253 1.00 0.00 H new ATOM 519 N LYS A 120 26.818 -0.576 -9.717 1.00 0.00 N ATOM 520 CA LYS A 120 26.945 0.790 -10.222 1.00 0.00 C ATOM 521 C LYS A 120 26.542 0.858 -11.698 1.00 0.00 C ATOM 522 O LYS A 120 26.073 1.897 -12.159 1.00 0.00 O ATOM 523 CB LYS A 120 28.385 1.282 -10.030 1.00 0.00 C ATOM 524 CG LYS A 120 28.570 1.790 -8.594 1.00 0.00 C ATOM 525 CD LYS A 120 29.933 2.479 -8.446 1.00 0.00 C ATOM 526 CE LYS A 120 31.062 1.451 -8.573 1.00 0.00 C ATOM 527 NZ LYS A 120 32.366 2.053 -8.239 1.00 0.00 N ATOM 0 H LYS A 120 27.686 -0.972 -9.356 1.00 0.00 H new ATOM 0 HA LYS A 120 26.274 1.439 -9.660 1.00 0.00 H new ATOM 0 HB2 LYS A 120 29.086 0.473 -10.233 1.00 0.00 H new ATOM 0 HB3 LYS A 120 28.605 2.080 -10.740 1.00 0.00 H new ATOM 0 HG2 LYS A 120 27.772 2.489 -8.342 1.00 0.00 H new ATOM 0 HG3 LYS A 120 28.497 0.958 -7.894 1.00 0.00 H new ATOM 0 HD2 LYS A 120 30.044 3.249 -9.210 1.00 0.00 H new ATOM 0 HD3 LYS A 120 29.993 2.978 -7.479 1.00 0.00 H new ATOM 0 HE2 LYS A 120 30.867 0.608 -7.911 1.00 0.00 H new ATOM 0 HE3 LYS A 120 31.088 1.059 -9.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 33.114 1.336 -8.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 32.560 2.843 -8.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 32.345 2.406 -7.261 1.00 0.00 H new ATOM 541 N HIS A 121 26.719 -0.245 -12.437 1.00 0.00 N ATOM 542 CA HIS A 121 26.358 -0.293 -13.843 1.00 0.00 C ATOM 543 C HIS A 121 24.880 -0.642 -13.958 1.00 0.00 C ATOM 544 O HIS A 121 24.148 -0.018 -14.727 1.00 0.00 O ATOM 545 CB HIS A 121 27.228 -1.330 -14.559 1.00 0.00 C ATOM 546 CG HIS A 121 28.702 -1.120 -14.320 1.00 0.00 C ATOM 547 ND1 HIS A 121 29.264 0.137 -14.129 1.00 0.00 N ATOM 548 CD2 HIS A 121 29.754 -1.992 -14.230 1.00 0.00 C ATOM 549 CE1 HIS A 121 30.586 -0.053 -13.942 1.00 0.00 C ATOM 550 NE2 HIS A 121 30.952 -1.334 -13.994 1.00 0.00 N ATOM 0 H HIS A 121 27.112 -1.114 -12.075 1.00 0.00 H new ATOM 0 HA HIS A 121 26.528 0.675 -14.314 1.00 0.00 H new ATOM 0 HB2 HIS A 121 26.948 -2.328 -14.221 1.00 0.00 H new ATOM 0 HB3 HIS A 121 27.028 -1.288 -15.630 1.00 0.00 H new ATOM 0 HD1 HIS A 121 28.772 1.030 -14.130 1.00 0.00 H new ATOM 0 HD2 HIS A 121 29.662 -3.063 -14.331 1.00 0.00 H new ATOM 0 HE1 HIS A 121 31.281 0.755 -13.767 1.00 0.00 H new ATOM 558 N LEU A 122 24.443 -1.639 -13.180 1.00 0.00 N ATOM 559 CA LEU A 122 23.055 -2.059 -13.165 1.00 0.00 C ATOM 560 C LEU A 122 22.257 -1.103 -12.278 1.00 0.00 C ATOM 561 O LEU A 122 21.880 -1.452 -11.158 1.00 0.00 O ATOM 562 CB LEU A 122 22.954 -3.506 -12.642 1.00 0.00 C ATOM 563 CG LEU A 122 23.079 -4.532 -13.785 1.00 0.00 C ATOM 564 CD1 LEU A 122 21.913 -4.376 -14.765 1.00 0.00 C ATOM 565 CD2 LEU A 122 24.404 -4.357 -14.530 1.00 0.00 C ATOM 0 H LEU A 122 25.045 -2.169 -12.550 1.00 0.00 H new ATOM 0 HA LEU A 122 22.645 -2.033 -14.174 1.00 0.00 H new ATOM 0 HB2 LEU A 122 23.738 -3.683 -11.906 1.00 0.00 H new ATOM 0 HB3 LEU A 122 22.001 -3.643 -12.132 1.00 0.00 H new ATOM 0 HG LEU A 122 23.053 -5.531 -13.349 1.00 0.00 H new ATOM 0 HD11 LEU A 122 22.012 -5.106 -15.568 1.00 0.00 H new ATOM 0 HD12 LEU A 122 20.972 -4.540 -14.240 1.00 0.00 H new ATOM 0 HD13 LEU A 122 21.923 -3.371 -15.186 1.00 0.00 H new ATOM 0 HD21 LEU A 122 24.470 -5.092 -15.332 1.00 0.00 H new ATOM 0 HD22 LEU A 122 24.454 -3.353 -14.952 1.00 0.00 H new ATOM 0 HD23 LEU A 122 25.233 -4.501 -13.837 1.00 0.00 H new ATOM 577 N LYS A 123 22.004 0.109 -12.787 1.00 0.00 N ATOM 578 CA LYS A 123 21.252 1.120 -12.058 1.00 0.00 C ATOM 579 C LYS A 123 19.803 0.661 -11.894 1.00 0.00 C ATOM 580 O LYS A 123 18.946 0.986 -12.715 1.00 0.00 O ATOM 581 CB LYS A 123 21.328 2.449 -12.815 1.00 0.00 C ATOM 582 CG LYS A 123 22.780 2.945 -12.841 1.00 0.00 C ATOM 583 CD LYS A 123 22.843 4.390 -13.356 1.00 0.00 C ATOM 584 CE LYS A 123 22.373 4.461 -14.816 1.00 0.00 C ATOM 585 NZ LYS A 123 20.932 4.769 -14.904 1.00 0.00 N ATOM 0 H LYS A 123 22.316 0.409 -13.711 1.00 0.00 H new ATOM 0 HA LYS A 123 21.679 1.262 -11.065 1.00 0.00 H new ATOM 0 HB2 LYS A 123 20.959 2.321 -13.832 1.00 0.00 H new ATOM 0 HB3 LYS A 123 20.689 3.190 -12.335 1.00 0.00 H new ATOM 0 HG2 LYS A 123 23.208 2.890 -11.840 1.00 0.00 H new ATOM 0 HG3 LYS A 123 23.381 2.298 -13.480 1.00 0.00 H new ATOM 0 HD2 LYS A 123 22.218 5.031 -12.735 1.00 0.00 H new ATOM 0 HD3 LYS A 123 23.863 4.766 -13.277 1.00 0.00 H new ATOM 0 HE2 LYS A 123 22.943 5.224 -15.346 1.00 0.00 H new ATOM 0 HE3 LYS A 123 22.574 3.511 -15.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 20.460 4.057 -15.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 20.515 4.756 -13.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 20.803 5.711 -15.325 1.00 0.00 H new ATOM 599 N GLY A 124 19.545 -0.103 -10.830 1.00 0.00 N ATOM 600 CA GLY A 124 18.225 -0.648 -10.550 1.00 0.00 C ATOM 601 C GLY A 124 18.356 -1.918 -9.707 1.00 0.00 C ATOM 602 O GLY A 124 17.406 -2.316 -9.029 1.00 0.00 O ATOM 0 H GLY A 124 20.251 -0.359 -10.140 1.00 0.00 H new ATOM 0 HA2 GLY A 124 17.622 0.090 -10.021 1.00 0.00 H new ATOM 0 HA3 GLY A 124 17.709 -0.872 -11.483 1.00 0.00 H new ATOM 606 N ARG A 125 19.542 -2.552 -9.752 1.00 0.00 N ATOM 607 CA ARG A 125 19.820 -3.760 -8.992 1.00 0.00 C ATOM 608 C ARG A 125 21.015 -3.496 -8.076 1.00 0.00 C ATOM 609 O ARG A 125 22.163 -3.564 -8.511 1.00 0.00 O ATOM 610 CB ARG A 125 20.107 -4.920 -9.959 1.00 0.00 C ATOM 611 CG ARG A 125 18.919 -5.124 -10.912 1.00 0.00 C ATOM 612 CD ARG A 125 17.739 -5.742 -10.154 1.00 0.00 C ATOM 613 NE ARG A 125 16.568 -4.855 -10.170 1.00 0.00 N ATOM 614 CZ ARG A 125 15.374 -5.201 -10.691 1.00 0.00 C ATOM 615 NH1 ARG A 125 15.281 -6.164 -11.621 1.00 0.00 N ATOM 616 NH2 ARG A 125 14.271 -4.573 -10.275 1.00 0.00 N ATOM 0 H ARG A 125 20.327 -2.232 -10.319 1.00 0.00 H new ATOM 0 HA ARG A 125 18.960 -4.035 -8.381 1.00 0.00 H new ATOM 0 HB2 ARG A 125 21.010 -4.710 -10.532 1.00 0.00 H new ATOM 0 HB3 ARG A 125 20.292 -5.835 -9.396 1.00 0.00 H new ATOM 0 HG2 ARG A 125 18.623 -4.169 -11.347 1.00 0.00 H new ATOM 0 HG3 ARG A 125 19.212 -5.773 -11.737 1.00 0.00 H new ATOM 0 HD2 ARG A 125 17.478 -6.700 -10.603 1.00 0.00 H new ATOM 0 HD3 ARG A 125 18.032 -5.942 -9.123 1.00 0.00 H new ATOM 0 HE ARG A 125 16.664 -3.924 -9.764 1.00 0.00 H new ATOM 0 HH11 ARG A 125 16.121 -6.645 -11.943 1.00 0.00 H new ATOM 0 HH12 ARG A 125 14.370 -6.415 -12.006 1.00 0.00 H new ATOM 0 HH21 ARG A 125 14.337 -3.839 -9.570 1.00 0.00 H new ATOM 0 HH22 ARG A 125 13.362 -4.827 -10.663 1.00 0.00 H new ATOM 630 N ILE A 126 20.735 -3.183 -6.805 1.00 0.00 N ATOM 631 CA ILE A 126 21.779 -2.876 -5.829 1.00 0.00 C ATOM 632 C ILE A 126 22.536 -4.154 -5.424 1.00 0.00 C ATOM 633 O ILE A 126 22.290 -5.231 -5.975 1.00 0.00 O ATOM 634 CB ILE A 126 21.173 -2.145 -4.601 1.00 0.00 C ATOM 635 CG1 ILE A 126 19.811 -2.734 -4.179 1.00 0.00 C ATOM 636 CG2 ILE A 126 20.981 -0.666 -4.949 1.00 0.00 C ATOM 637 CD1 ILE A 126 19.931 -4.231 -3.896 1.00 0.00 C ATOM 0 H ILE A 126 19.787 -3.137 -6.430 1.00 0.00 H new ATOM 0 HA ILE A 126 22.504 -2.203 -6.286 1.00 0.00 H new ATOM 0 HB ILE A 126 21.864 -2.271 -3.768 1.00 0.00 H new ATOM 0 HG12 ILE A 126 19.447 -2.219 -3.290 1.00 0.00 H new ATOM 0 HG13 ILE A 126 19.077 -2.566 -4.967 1.00 0.00 H new ATOM 0 HG21 ILE A 126 20.555 -0.143 -4.093 1.00 0.00 H new ATOM 0 HG22 ILE A 126 21.945 -0.224 -5.202 1.00 0.00 H new ATOM 0 HG23 ILE A 126 20.306 -0.577 -5.800 1.00 0.00 H new ATOM 0 HD11 ILE A 126 18.958 -4.624 -3.600 1.00 0.00 H new ATOM 0 HD12 ILE A 126 20.272 -4.745 -4.795 1.00 0.00 H new ATOM 0 HD13 ILE A 126 20.648 -4.393 -3.091 1.00 0.00 H new ATOM 649 N GLY A 127 23.470 -4.018 -4.465 1.00 0.00 N ATOM 650 CA GLY A 127 24.301 -5.126 -4.005 1.00 0.00 C ATOM 651 C GLY A 127 23.502 -6.115 -3.154 1.00 0.00 C ATOM 652 O GLY A 127 23.733 -6.232 -1.954 1.00 0.00 O ATOM 0 H GLY A 127 23.663 -3.135 -3.993 1.00 0.00 H new ATOM 0 HA2 GLY A 127 24.725 -5.645 -4.865 1.00 0.00 H new ATOM 0 HA3 GLY A 127 25.137 -4.737 -3.423 1.00 0.00 H new ATOM 656 N LYS A 128 22.575 -6.831 -3.793 1.00 0.00 N ATOM 657 CA LYS A 128 21.759 -7.845 -3.140 1.00 0.00 C ATOM 658 C LYS A 128 21.012 -8.613 -4.221 1.00 0.00 C ATOM 659 O LYS A 128 21.114 -9.835 -4.307 1.00 0.00 O ATOM 660 CB LYS A 128 20.775 -7.196 -2.156 1.00 0.00 C ATOM 661 CG LYS A 128 19.973 -8.285 -1.436 1.00 0.00 C ATOM 662 CD LYS A 128 18.931 -7.637 -0.519 1.00 0.00 C ATOM 663 CE LYS A 128 18.195 -8.718 0.283 1.00 0.00 C ATOM 664 NZ LYS A 128 17.509 -9.676 -0.604 1.00 0.00 N ATOM 0 H LYS A 128 22.371 -6.719 -4.786 1.00 0.00 H new ATOM 0 HA LYS A 128 22.391 -8.524 -2.567 1.00 0.00 H new ATOM 0 HB2 LYS A 128 21.318 -6.590 -1.430 1.00 0.00 H new ATOM 0 HB3 LYS A 128 20.100 -6.526 -2.689 1.00 0.00 H new ATOM 0 HG2 LYS A 128 19.480 -8.929 -2.164 1.00 0.00 H new ATOM 0 HG3 LYS A 128 20.642 -8.917 -0.853 1.00 0.00 H new ATOM 0 HD2 LYS A 128 19.417 -6.936 0.160 1.00 0.00 H new ATOM 0 HD3 LYS A 128 18.218 -7.064 -1.112 1.00 0.00 H new ATOM 0 HE2 LYS A 128 18.905 -9.250 0.915 1.00 0.00 H new ATOM 0 HE3 LYS A 128 17.468 -8.249 0.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 16.619 -9.983 -0.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 17.303 -9.219 -1.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 18.120 -10.503 -0.761 1.00 0.00 H new ATOM 678 N GLN A 129 20.267 -7.879 -5.055 1.00 0.00 N ATOM 679 CA GLN A 129 19.524 -8.470 -6.151 1.00 0.00 C ATOM 680 C GLN A 129 20.499 -9.150 -7.108 1.00 0.00 C ATOM 681 O GLN A 129 20.265 -10.276 -7.529 1.00 0.00 O ATOM 682 CB GLN A 129 18.724 -7.380 -6.871 1.00 0.00 C ATOM 683 CG GLN A 129 17.587 -6.883 -5.972 1.00 0.00 C ATOM 684 CD GLN A 129 16.838 -5.730 -6.633 1.00 0.00 C ATOM 685 OE1 GLN A 129 15.863 -5.948 -7.347 1.00 0.00 O ATOM 686 NE2 GLN A 129 17.297 -4.501 -6.395 1.00 0.00 N ATOM 0 H GLN A 129 20.168 -6.866 -4.982 1.00 0.00 H new ATOM 0 HA GLN A 129 18.826 -9.217 -5.772 1.00 0.00 H new ATOM 0 HB2 GLN A 129 19.380 -6.550 -7.134 1.00 0.00 H new ATOM 0 HB3 GLN A 129 18.317 -7.772 -7.803 1.00 0.00 H new ATOM 0 HG2 GLN A 129 16.896 -7.701 -5.766 1.00 0.00 H new ATOM 0 HG3 GLN A 129 17.991 -6.558 -5.013 1.00 0.00 H new ATOM 0 HE21 GLN A 129 18.111 -4.368 -5.795 1.00 0.00 H new ATOM 0 HE22 GLN A 129 16.834 -3.694 -6.813 1.00 0.00 H new ATOM 695 N CYS A 130 21.600 -8.458 -7.445 1.00 0.00 N ATOM 696 CA CYS A 130 22.617 -9.004 -8.337 1.00 0.00 C ATOM 697 C CYS A 130 23.191 -10.285 -7.740 1.00 0.00 C ATOM 698 O CYS A 130 23.362 -11.278 -8.445 1.00 0.00 O ATOM 699 CB CYS A 130 23.732 -7.973 -8.543 1.00 0.00 C ATOM 700 SG CYS A 130 23.074 -6.557 -9.455 1.00 0.00 S ATOM 0 H CYS A 130 21.802 -7.517 -7.108 1.00 0.00 H new ATOM 0 HA CYS A 130 22.165 -9.234 -9.302 1.00 0.00 H new ATOM 0 HB2 CYS A 130 24.126 -7.649 -7.580 1.00 0.00 H new ATOM 0 HB3 CYS A 130 24.560 -8.421 -9.092 1.00 0.00 H new ATOM 0 HG CYS A 130 22.878 -5.567 -8.636 1.00 0.00 H new ATOM 706 N ARG A 131 23.489 -10.256 -6.436 1.00 0.00 N ATOM 707 CA ARG A 131 24.050 -11.403 -5.746 1.00 0.00 C ATOM 708 C ARG A 131 23.108 -12.600 -5.870 1.00 0.00 C ATOM 709 O ARG A 131 23.498 -13.634 -6.394 1.00 0.00 O ATOM 710 CB ARG A 131 24.303 -11.032 -4.274 1.00 0.00 C ATOM 711 CG ARG A 131 25.110 -12.136 -3.577 1.00 0.00 C ATOM 712 CD ARG A 131 24.174 -13.061 -2.786 1.00 0.00 C ATOM 713 NE ARG A 131 24.783 -14.383 -2.584 1.00 0.00 N ATOM 714 CZ ARG A 131 25.776 -14.618 -1.706 1.00 0.00 C ATOM 715 NH1 ARG A 131 26.251 -13.628 -0.938 1.00 0.00 N ATOM 716 NH2 ARG A 131 26.291 -15.850 -1.602 1.00 0.00 N ATOM 0 H ARG A 131 23.346 -9.440 -5.841 1.00 0.00 H new ATOM 0 HA ARG A 131 25.001 -11.684 -6.199 1.00 0.00 H new ATOM 0 HB2 ARG A 131 24.843 -10.087 -4.218 1.00 0.00 H new ATOM 0 HB3 ARG A 131 23.353 -10.887 -3.760 1.00 0.00 H new ATOM 0 HG2 ARG A 131 25.663 -12.714 -4.317 1.00 0.00 H new ATOM 0 HG3 ARG A 131 25.845 -11.691 -2.906 1.00 0.00 H new ATOM 0 HD2 ARG A 131 23.945 -12.611 -1.820 1.00 0.00 H new ATOM 0 HD3 ARG A 131 23.230 -13.170 -3.319 1.00 0.00 H new ATOM 0 HE ARG A 131 24.435 -15.165 -3.139 1.00 0.00 H new ATOM 0 HH11 ARG A 131 25.860 -12.689 -1.017 1.00 0.00 H new ATOM 0 HH12 ARG A 131 27.004 -13.813 -0.275 1.00 0.00 H new ATOM 0 HH21 ARG A 131 25.931 -16.604 -2.186 1.00 0.00 H new ATOM 0 HH22 ARG A 131 27.044 -16.034 -0.938 1.00 0.00 H new ATOM 730 N GLU A 132 21.870 -12.457 -5.388 1.00 0.00 N ATOM 731 CA GLU A 132 20.887 -13.535 -5.431 1.00 0.00 C ATOM 732 C GLU A 132 20.672 -14.009 -6.863 1.00 0.00 C ATOM 733 O GLU A 132 20.639 -15.211 -7.110 1.00 0.00 O ATOM 734 CB GLU A 132 19.581 -13.042 -4.803 1.00 0.00 C ATOM 735 CG GLU A 132 19.731 -13.020 -3.276 1.00 0.00 C ATOM 736 CD GLU A 132 18.912 -11.899 -2.644 1.00 0.00 C ATOM 737 OE1 GLU A 132 17.846 -11.574 -3.208 1.00 0.00 O ATOM 738 OE2 GLU A 132 19.368 -11.384 -1.600 1.00 0.00 O ATOM 0 H GLU A 132 21.526 -11.597 -4.961 1.00 0.00 H new ATOM 0 HA GLU A 132 21.253 -14.389 -4.861 1.00 0.00 H new ATOM 0 HB2 GLU A 132 19.341 -12.045 -5.171 1.00 0.00 H new ATOM 0 HB3 GLU A 132 18.757 -13.695 -5.090 1.00 0.00 H new ATOM 0 HG2 GLU A 132 19.413 -13.978 -2.865 1.00 0.00 H new ATOM 0 HG3 GLU A 132 20.782 -12.894 -3.015 1.00 0.00 H new ATOM 745 N ARG A 133 20.536 -13.079 -7.810 1.00 0.00 N ATOM 746 CA ARG A 133 20.359 -13.446 -9.205 1.00 0.00 C ATOM 747 C ARG A 133 21.505 -14.364 -9.626 1.00 0.00 C ATOM 748 O ARG A 133 21.292 -15.328 -10.361 1.00 0.00 O ATOM 749 CB ARG A 133 20.323 -12.178 -10.075 1.00 0.00 C ATOM 750 CG ARG A 133 19.855 -12.511 -11.500 1.00 0.00 C ATOM 751 CD ARG A 133 18.355 -12.826 -11.508 1.00 0.00 C ATOM 752 NE ARG A 133 17.862 -12.974 -12.884 1.00 0.00 N ATOM 753 CZ ARG A 133 16.719 -13.614 -13.201 1.00 0.00 C ATOM 754 NH1 ARG A 133 16.064 -14.326 -12.280 1.00 0.00 N ATOM 755 NH2 ARG A 133 16.237 -13.537 -14.445 1.00 0.00 N ATOM 0 H ARG A 133 20.546 -12.075 -7.633 1.00 0.00 H new ATOM 0 HA ARG A 133 19.415 -13.975 -9.337 1.00 0.00 H new ATOM 0 HB2 ARG A 133 19.652 -11.444 -9.629 1.00 0.00 H new ATOM 0 HB3 ARG A 133 21.314 -11.726 -10.109 1.00 0.00 H new ATOM 0 HG2 ARG A 133 20.060 -11.671 -12.163 1.00 0.00 H new ATOM 0 HG3 ARG A 133 20.415 -13.364 -11.884 1.00 0.00 H new ATOM 0 HD2 ARG A 133 18.168 -13.743 -10.949 1.00 0.00 H new ATOM 0 HD3 ARG A 133 17.808 -12.029 -11.004 1.00 0.00 H new ATOM 0 HE ARG A 133 18.415 -12.571 -13.640 1.00 0.00 H new ATOM 0 HH11 ARG A 133 16.428 -14.388 -11.329 1.00 0.00 H new ATOM 0 HH12 ARG A 133 15.200 -14.808 -12.527 1.00 0.00 H new ATOM 0 HH21 ARG A 133 16.734 -12.995 -15.152 1.00 0.00 H new ATOM 0 HH22 ARG A 133 15.372 -14.020 -14.688 1.00 0.00 H new ATOM 769 N TRP A 134 22.723 -14.058 -9.149 1.00 0.00 N ATOM 770 CA TRP A 134 23.903 -14.832 -9.484 1.00 0.00 C ATOM 771 C TRP A 134 24.243 -15.864 -8.398 1.00 0.00 C ATOM 772 O TRP A 134 25.391 -16.285 -8.294 1.00 0.00 O ATOM 773 CB TRP A 134 25.078 -13.884 -9.700 1.00 0.00 C ATOM 774 CG TRP A 134 26.114 -14.452 -10.599 1.00 0.00 C ATOM 775 CD1 TRP A 134 27.237 -15.079 -10.214 1.00 0.00 C ATOM 776 CD2 TRP A 134 26.112 -14.511 -12.047 1.00 0.00 C ATOM 777 NE1 TRP A 134 27.929 -15.544 -11.300 1.00 0.00 N ATOM 778 CE2 TRP A 134 27.276 -15.219 -12.470 1.00 0.00 C ATOM 779 CE3 TRP A 134 25.240 -14.052 -13.058 1.00 0.00 C ATOM 780 CZ2 TRP A 134 27.548 -15.468 -13.809 1.00 0.00 C ATOM 781 CZ3 TRP A 134 25.513 -14.306 -14.407 1.00 0.00 C ATOM 782 CH2 TRP A 134 26.656 -15.030 -14.779 1.00 0.00 C ATOM 0 H TRP A 134 22.904 -13.271 -8.526 1.00 0.00 H new ATOM 0 HA TRP A 134 23.698 -15.388 -10.399 1.00 0.00 H new ATOM 0 HB2 TRP A 134 24.712 -12.948 -10.121 1.00 0.00 H new ATOM 0 HB3 TRP A 134 25.529 -13.646 -8.737 1.00 0.00 H new ATOM 0 HD1 TRP A 134 27.552 -15.200 -9.188 1.00 0.00 H new ATOM 0 HE1 TRP A 134 28.807 -16.060 -11.250 1.00 0.00 H new ATOM 0 HE3 TRP A 134 24.353 -13.499 -12.788 1.00 0.00 H new ATOM 0 HZ2 TRP A 134 28.445 -15.998 -14.093 1.00 0.00 H new ATOM 0 HZ3 TRP A 134 24.838 -13.942 -15.168 1.00 0.00 H new ATOM 0 HH2 TRP A 134 26.842 -15.247 -15.821 1.00 0.00 H new ATOM 793 N HIS A 135 23.257 -16.278 -7.597 1.00 0.00 N ATOM 794 CA HIS A 135 23.470 -17.293 -6.568 1.00 0.00 C ATOM 795 C HIS A 135 22.181 -18.091 -6.379 1.00 0.00 C ATOM 796 O HIS A 135 21.826 -18.473 -5.266 1.00 0.00 O ATOM 797 CB HIS A 135 23.941 -16.635 -5.261 1.00 0.00 C ATOM 798 CG HIS A 135 25.424 -16.350 -5.269 1.00 0.00 C ATOM 799 ND1 HIS A 135 26.371 -17.317 -4.950 1.00 0.00 N ATOM 800 CD2 HIS A 135 26.157 -15.226 -5.563 1.00 0.00 C ATOM 801 CE1 HIS A 135 27.580 -16.731 -5.065 1.00 0.00 C ATOM 802 NE2 HIS A 135 27.519 -15.452 -5.436 1.00 0.00 N ATOM 0 H HIS A 135 22.302 -15.923 -7.644 1.00 0.00 H new ATOM 0 HA HIS A 135 24.255 -17.983 -6.878 1.00 0.00 H new ATOM 0 HB2 HIS A 135 23.395 -15.704 -5.107 1.00 0.00 H new ATOM 0 HB3 HIS A 135 23.702 -17.287 -4.421 1.00 0.00 H new ATOM 0 HD2 HIS A 135 25.725 -14.281 -5.857 1.00 0.00 H new ATOM 0 HE1 HIS A 135 28.509 -17.248 -4.875 1.00 0.00 H new ATOM 0 HE2 HIS A 135 28.287 -14.799 -5.589 1.00 0.00 H new ATOM 810 N ASN A 136 21.495 -18.342 -7.496 1.00 0.00 N ATOM 811 CA ASN A 136 20.265 -19.121 -7.516 1.00 0.00 C ATOM 812 C ASN A 136 20.146 -19.800 -8.866 1.00 0.00 C ATOM 813 O ASN A 136 20.354 -21.005 -8.982 1.00 0.00 O ATOM 814 CB ASN A 136 19.055 -18.208 -7.283 1.00 0.00 C ATOM 815 CG ASN A 136 18.818 -17.975 -5.801 1.00 0.00 C ATOM 816 OD1 ASN A 136 18.327 -18.855 -5.101 1.00 0.00 O ATOM 817 ND2 ASN A 136 19.165 -16.788 -5.325 1.00 0.00 N ATOM 0 H ASN A 136 21.783 -18.006 -8.415 1.00 0.00 H new ATOM 0 HA ASN A 136 20.290 -19.868 -6.723 1.00 0.00 H new ATOM 0 HB2 ASN A 136 19.216 -17.253 -7.783 1.00 0.00 H new ATOM 0 HB3 ASN A 136 18.167 -18.656 -7.730 1.00 0.00 H new ATOM 0 HD21 ASN A 136 19.027 -16.574 -4.337 1.00 0.00 H new ATOM 0 HD22 ASN A 136 19.570 -16.088 -5.946 1.00 0.00 H new ATOM 824 N HIS A 137 19.808 -19.008 -9.885 1.00 0.00 N ATOM 825 CA HIS A 137 19.653 -19.515 -11.245 1.00 0.00 C ATOM 826 C HIS A 137 20.964 -19.340 -12.016 1.00 0.00 C ATOM 827 O HIS A 137 21.531 -20.320 -12.493 1.00 0.00 O ATOM 828 CB HIS A 137 18.486 -18.805 -11.961 1.00 0.00 C ATOM 829 CG HIS A 137 17.785 -17.782 -11.105 1.00 0.00 C ATOM 830 ND1 HIS A 137 16.621 -18.061 -10.398 1.00 0.00 N ATOM 831 CD2 HIS A 137 18.061 -16.470 -10.825 1.00 0.00 C ATOM 832 CE1 HIS A 137 16.276 -16.928 -9.754 1.00 0.00 C ATOM 833 NE2 HIS A 137 17.115 -15.915 -9.974 1.00 0.00 N ATOM 0 H HIS A 137 19.636 -18.007 -9.790 1.00 0.00 H new ATOM 0 HA HIS A 137 19.416 -20.578 -11.203 1.00 0.00 H new ATOM 0 HB2 HIS A 137 18.865 -18.317 -12.859 1.00 0.00 H new ATOM 0 HB3 HIS A 137 17.762 -19.552 -12.286 1.00 0.00 H new ATOM 0 HD1 HIS A 137 16.124 -18.951 -10.372 1.00 0.00 H new ATOM 0 HD2 HIS A 137 18.911 -15.933 -11.218 1.00 0.00 H new ATOM 0 HE1 HIS A 137 15.404 -16.848 -9.121 1.00 0.00 H new ATOM 841 N LEU A 138 21.448 -18.093 -12.139 1.00 0.00 N ATOM 842 CA LEU A 138 22.691 -17.823 -12.853 1.00 0.00 C ATOM 843 C LEU A 138 23.879 -18.057 -11.924 1.00 0.00 C ATOM 844 O LEU A 138 23.731 -18.048 -10.704 1.00 0.00 O ATOM 845 CB LEU A 138 22.705 -16.384 -13.385 1.00 0.00 C ATOM 846 CG LEU A 138 21.792 -16.255 -14.614 1.00 0.00 C ATOM 847 CD1 LEU A 138 20.404 -15.787 -14.184 1.00 0.00 C ATOM 848 CD2 LEU A 138 22.380 -15.233 -15.585 1.00 0.00 C ATOM 0 H LEU A 138 20.995 -17.265 -11.753 1.00 0.00 H new ATOM 0 HA LEU A 138 22.764 -18.501 -13.703 1.00 0.00 H new ATOM 0 HB2 LEU A 138 22.374 -15.699 -12.605 1.00 0.00 H new ATOM 0 HB3 LEU A 138 23.723 -16.098 -13.649 1.00 0.00 H new ATOM 0 HG LEU A 138 21.716 -17.228 -15.100 1.00 0.00 H new ATOM 0 HD11 LEU A 138 19.762 -15.698 -15.061 1.00 0.00 H new ATOM 0 HD12 LEU A 138 19.974 -16.511 -13.492 1.00 0.00 H new ATOM 0 HD13 LEU A 138 20.483 -14.817 -13.692 1.00 0.00 H new ATOM 0 HD21 LEU A 138 21.731 -15.143 -16.456 1.00 0.00 H new ATOM 0 HD22 LEU A 138 22.460 -14.265 -15.090 1.00 0.00 H new ATOM 0 HD23 LEU A 138 23.370 -15.561 -15.903 1.00 0.00 H new