USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 404 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 11 TYR OH : rot 165:sc= 0.579 USER MOD Set 1.2: A 62 LYS NZ :NH3+ -153:sc= 0.754 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.817 K(o=-0.82,f=-2.2!) USER MOD Single : A 21 ASN :FLIP amide:sc= 0.064 F(o=-1.1,f=0.064) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot -49:sc= 0.158 USER MOD Single : A 49 ASN : amide:sc= -0.0732 K(o=-0.073,f=-1.8!) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 93 N GLU A 10 2.579 8.375 -1.252 1.00 0.00 N ATOM 94 CA GLU A 10 2.181 7.533 -2.374 1.00 0.00 C ATOM 95 C GLU A 10 2.475 6.064 -2.083 1.00 0.00 C ATOM 96 O GLU A 10 3.604 5.698 -1.757 1.00 0.00 O ATOM 97 CB GLU A 10 2.908 7.967 -3.649 1.00 0.00 C ATOM 98 CG GLU A 10 2.677 9.423 -4.015 1.00 0.00 C ATOM 99 CD GLU A 10 1.411 9.628 -4.824 1.00 0.00 C ATOM 100 OE1 GLU A 10 0.311 9.514 -4.244 1.00 0.00 O ATOM 101 OE2 GLU A 10 1.520 9.902 -6.037 1.00 0.00 O ATOM 0 HA GLU A 10 1.107 7.649 -2.519 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.977 7.798 -3.523 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.581 7.337 -4.476 1.00 0.00 H new ATOM 0 HG2 GLU A 10 2.622 10.018 -3.104 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.531 9.790 -4.584 1.00 0.00 H new ATOM 108 N TYR A 11 1.450 5.227 -2.203 1.00 0.00 N ATOM 109 CA TYR A 11 1.596 3.799 -1.950 1.00 0.00 C ATOM 110 C TYR A 11 1.550 3.007 -3.253 1.00 0.00 C ATOM 111 O TYR A 11 0.620 3.151 -4.047 1.00 0.00 O ATOM 112 CB TYR A 11 0.496 3.311 -1.005 1.00 0.00 C ATOM 113 CG TYR A 11 0.674 3.777 0.422 1.00 0.00 C ATOM 114 CD1 TYR A 11 0.392 5.088 0.786 1.00 0.00 C ATOM 115 CD2 TYR A 11 1.123 2.906 1.407 1.00 0.00 C ATOM 116 CE1 TYR A 11 0.554 5.518 2.089 1.00 0.00 C ATOM 117 CE2 TYR A 11 1.286 3.327 2.713 1.00 0.00 C ATOM 118 CZ TYR A 11 1.001 4.634 3.049 1.00 0.00 C ATOM 119 OH TYR A 11 1.162 5.058 4.348 1.00 0.00 O ATOM 0 H TYR A 11 0.509 5.513 -2.474 1.00 0.00 H new ATOM 0 HA TYR A 11 2.567 3.637 -1.481 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -0.469 3.658 -1.374 1.00 0.00 H new ATOM 0 HB3 TYR A 11 0.471 2.221 -1.022 1.00 0.00 H new ATOM 0 HD1 TYR A 11 0.040 5.783 0.038 1.00 0.00 H new ATOM 0 HD2 TYR A 11 1.349 1.882 1.147 1.00 0.00 H new ATOM 0 HE1 TYR A 11 0.332 6.541 2.355 1.00 0.00 H new ATOM 0 HE2 TYR A 11 1.635 2.636 3.467 1.00 0.00 H new ATOM 0 HH TYR A 11 1.247 4.280 4.938 1.00 0.00 H new ATOM 129 N ARG A 12 2.561 2.171 -3.466 1.00 0.00 N ATOM 130 CA ARG A 12 2.637 1.356 -4.673 1.00 0.00 C ATOM 131 C ARG A 12 2.199 -0.078 -4.389 1.00 0.00 C ATOM 132 O ARG A 12 2.666 -0.703 -3.438 1.00 0.00 O ATOM 133 CB ARG A 12 4.062 1.365 -5.230 1.00 0.00 C ATOM 134 CG ARG A 12 4.154 0.892 -6.672 1.00 0.00 C ATOM 135 CD ARG A 12 5.559 1.069 -7.227 1.00 0.00 C ATOM 136 NE ARG A 12 6.437 -0.039 -6.857 1.00 0.00 N ATOM 137 CZ ARG A 12 7.589 -0.298 -7.464 1.00 0.00 C ATOM 138 NH1 ARG A 12 8.001 0.467 -8.466 1.00 0.00 N ATOM 139 NH2 ARG A 12 8.332 -1.324 -7.070 1.00 0.00 N ATOM 0 H ARG A 12 3.339 2.040 -2.819 1.00 0.00 H new ATOM 0 HA ARG A 12 1.962 1.784 -5.414 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.464 2.376 -5.162 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.691 0.729 -4.607 1.00 0.00 H new ATOM 0 HG2 ARG A 12 3.868 -0.158 -6.731 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.446 1.450 -7.285 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.513 1.148 -8.313 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.980 2.004 -6.857 1.00 0.00 H new ATOM 0 HE ARG A 12 6.149 -0.647 -6.090 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.432 1.257 -8.772 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.886 0.266 -8.931 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.018 -1.915 -6.300 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.217 -1.522 -7.537 1.00 0.00 H new ATOM 153 N ALA A 13 1.299 -0.592 -5.221 1.00 0.00 N ATOM 154 CA ALA A 13 0.799 -1.952 -5.061 1.00 0.00 C ATOM 155 C ALA A 13 1.942 -2.962 -5.077 1.00 0.00 C ATOM 156 O ALA A 13 2.996 -2.713 -5.664 1.00 0.00 O ATOM 157 CB ALA A 13 -0.209 -2.275 -6.153 1.00 0.00 C ATOM 0 H ALA A 13 0.901 -0.087 -6.013 1.00 0.00 H new ATOM 0 HA ALA A 13 0.303 -2.019 -4.093 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.574 -3.294 -6.021 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.046 -1.579 -6.093 1.00 0.00 H new ATOM 0 HB3 ALA A 13 0.269 -2.184 -7.128 1.00 0.00 H new ATOM 163 N LEU A 14 1.727 -4.101 -4.428 1.00 0.00 N ATOM 164 CA LEU A 14 2.739 -5.150 -4.367 1.00 0.00 C ATOM 165 C LEU A 14 2.323 -6.358 -5.200 1.00 0.00 C ATOM 166 O LEU A 14 3.155 -6.999 -5.842 1.00 0.00 O ATOM 167 CB LEU A 14 2.977 -5.573 -2.917 1.00 0.00 C ATOM 168 CG LEU A 14 3.720 -4.566 -2.037 1.00 0.00 C ATOM 169 CD1 LEU A 14 3.595 -4.945 -0.570 1.00 0.00 C ATOM 170 CD2 LEU A 14 5.184 -4.481 -2.445 1.00 0.00 C ATOM 0 H LEU A 14 0.861 -4.322 -3.937 1.00 0.00 H new ATOM 0 HA LEU A 14 3.666 -4.750 -4.779 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.011 -5.783 -2.458 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.539 -6.507 -2.920 1.00 0.00 H new ATOM 0 HG LEU A 14 3.266 -3.585 -2.177 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.130 -4.217 0.041 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.543 -4.955 -0.285 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.023 -5.935 -0.412 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.698 -3.760 -1.809 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.650 -5.460 -2.334 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.254 -4.162 -3.485 1.00 0.00 H new ATOM 182 N TYR A 15 1.030 -6.662 -5.185 1.00 0.00 N ATOM 183 CA TYR A 15 0.502 -7.794 -5.938 1.00 0.00 C ATOM 184 C TYR A 15 -0.913 -7.509 -6.430 1.00 0.00 C ATOM 185 O TYR A 15 -1.619 -6.669 -5.871 1.00 0.00 O ATOM 186 CB TYR A 15 0.510 -9.056 -5.075 1.00 0.00 C ATOM 187 CG TYR A 15 1.711 -9.159 -4.162 1.00 0.00 C ATOM 188 CD1 TYR A 15 2.919 -9.665 -4.625 1.00 0.00 C ATOM 189 CD2 TYR A 15 1.638 -8.747 -2.837 1.00 0.00 C ATOM 190 CE1 TYR A 15 4.018 -9.761 -3.794 1.00 0.00 C ATOM 191 CE2 TYR A 15 2.733 -8.838 -1.999 1.00 0.00 C ATOM 192 CZ TYR A 15 3.921 -9.346 -2.482 1.00 0.00 C ATOM 193 OH TYR A 15 5.014 -9.439 -1.652 1.00 0.00 O ATOM 0 H TYR A 15 0.328 -6.141 -4.660 1.00 0.00 H new ATOM 0 HA TYR A 15 1.143 -7.951 -6.805 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.397 -9.079 -4.471 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.483 -9.931 -5.725 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.000 -9.989 -5.652 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.709 -8.349 -2.455 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.949 -10.159 -4.170 1.00 0.00 H new ATOM 0 HE2 TYR A 15 2.659 -8.513 -0.972 1.00 0.00 H new ATOM 0 HH TYR A 15 4.778 -9.104 -0.762 1.00 0.00 H new ATOM 203 N ASP A 16 -1.322 -8.215 -7.479 1.00 0.00 N ATOM 204 CA ASP A 16 -2.654 -8.040 -8.046 1.00 0.00 C ATOM 205 C ASP A 16 -3.717 -8.638 -7.130 1.00 0.00 C ATOM 206 O ASP A 16 -3.912 -9.853 -7.099 1.00 0.00 O ATOM 207 CB ASP A 16 -2.731 -8.689 -9.429 1.00 0.00 C ATOM 208 CG ASP A 16 -2.525 -10.190 -9.377 1.00 0.00 C ATOM 209 OD1 ASP A 16 -1.468 -10.626 -8.876 1.00 0.00 O ATOM 210 OD2 ASP A 16 -3.421 -10.928 -9.837 1.00 0.00 O ATOM 0 H ASP A 16 -0.750 -8.914 -7.954 1.00 0.00 H new ATOM 0 HA ASP A 16 -2.844 -6.971 -8.143 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -3.702 -8.474 -9.874 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.977 -8.244 -10.078 1.00 0.00 H new ATOM 215 N TYR A 17 -4.401 -7.776 -6.385 1.00 0.00 N ATOM 216 CA TYR A 17 -5.442 -8.219 -5.466 1.00 0.00 C ATOM 217 C TYR A 17 -6.805 -8.231 -6.151 1.00 0.00 C ATOM 218 O TYR A 17 -7.235 -7.230 -6.725 1.00 0.00 O ATOM 219 CB TYR A 17 -5.485 -7.311 -4.236 1.00 0.00 C ATOM 220 CG TYR A 17 -6.628 -7.620 -3.295 1.00 0.00 C ATOM 221 CD1 TYR A 17 -6.655 -8.804 -2.568 1.00 0.00 C ATOM 222 CD2 TYR A 17 -7.680 -6.727 -3.131 1.00 0.00 C ATOM 223 CE1 TYR A 17 -7.697 -9.091 -1.708 1.00 0.00 C ATOM 224 CE2 TYR A 17 -8.726 -7.005 -2.272 1.00 0.00 C ATOM 225 CZ TYR A 17 -8.730 -8.188 -1.563 1.00 0.00 C ATOM 226 OH TYR A 17 -9.769 -8.470 -0.706 1.00 0.00 O ATOM 0 H TYR A 17 -4.253 -6.767 -6.400 1.00 0.00 H new ATOM 0 HA TYR A 17 -5.205 -9.235 -5.151 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -4.544 -7.403 -3.694 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -5.565 -6.274 -4.563 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -5.847 -9.512 -2.677 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -7.680 -5.800 -3.685 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -7.703 -10.017 -1.152 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -9.536 -6.300 -2.156 1.00 0.00 H new ATOM 0 HH TYR A 17 -10.413 -7.732 -0.719 1.00 0.00 H new ATOM 236 N THR A 18 -7.482 -9.374 -6.087 1.00 0.00 N ATOM 237 CA THR A 18 -8.796 -9.519 -6.700 1.00 0.00 C ATOM 238 C THR A 18 -9.906 -9.340 -5.672 1.00 0.00 C ATOM 239 O THR A 18 -10.243 -10.270 -4.940 1.00 0.00 O ATOM 240 CB THR A 18 -8.952 -10.896 -7.373 1.00 0.00 C ATOM 241 OG1 THR A 18 -7.898 -11.102 -8.320 1.00 0.00 O ATOM 242 CG2 THR A 18 -10.298 -11.006 -8.074 1.00 0.00 C ATOM 0 H THR A 18 -7.141 -10.212 -5.617 1.00 0.00 H new ATOM 0 HA THR A 18 -8.879 -8.740 -7.458 1.00 0.00 H new ATOM 0 HB THR A 18 -8.899 -11.662 -6.599 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.004 -11.980 -8.742 1.00 0.00 H new ATOM 0 HG21 THR A 18 -10.386 -11.987 -8.542 1.00 0.00 H new ATOM 0 HG22 THR A 18 -11.099 -10.879 -7.346 1.00 0.00 H new ATOM 0 HG23 THR A 18 -10.375 -10.232 -8.837 1.00 0.00 H new ATOM 250 N ALA A 19 -10.472 -8.138 -5.622 1.00 0.00 N ATOM 251 CA ALA A 19 -11.547 -7.838 -4.684 1.00 0.00 C ATOM 252 C ALA A 19 -12.758 -8.730 -4.934 1.00 0.00 C ATOM 253 O ALA A 19 -13.313 -8.744 -6.033 1.00 0.00 O ATOM 254 CB ALA A 19 -11.939 -6.371 -4.783 1.00 0.00 C ATOM 0 H ALA A 19 -10.204 -7.357 -6.220 1.00 0.00 H new ATOM 0 HA ALA A 19 -11.184 -8.038 -3.676 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -12.743 -6.161 -4.077 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -11.077 -5.747 -4.547 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -12.279 -6.153 -5.795 1.00 0.00 H new ATOM 260 N GLN A 20 -13.163 -9.472 -3.908 1.00 0.00 N ATOM 261 CA GLN A 20 -14.308 -10.367 -4.019 1.00 0.00 C ATOM 262 C GLN A 20 -15.597 -9.579 -4.226 1.00 0.00 C ATOM 263 O GLN A 20 -16.409 -9.914 -5.087 1.00 0.00 O ATOM 264 CB GLN A 20 -14.424 -11.238 -2.766 1.00 0.00 C ATOM 265 CG GLN A 20 -13.441 -12.398 -2.739 1.00 0.00 C ATOM 266 CD GLN A 20 -12.014 -11.960 -3.002 1.00 0.00 C ATOM 267 OE1 GLN A 20 -11.490 -11.073 -2.327 1.00 0.00 O ATOM 268 NE2 GLN A 20 -11.376 -12.581 -3.986 1.00 0.00 N ATOM 0 H GLN A 20 -12.715 -9.471 -2.991 1.00 0.00 H new ATOM 0 HA GLN A 20 -14.153 -11.009 -4.886 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -14.264 -10.616 -1.885 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -15.439 -11.631 -2.699 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -13.493 -12.890 -1.768 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -13.734 -13.135 -3.486 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -11.849 -13.310 -4.520 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -10.413 -12.329 -4.208 1.00 0.00 H new ATOM 277 N ASN A 21 -15.778 -8.531 -3.429 1.00 0.00 N ATOM 278 CA ASN A 21 -16.970 -7.695 -3.525 1.00 0.00 C ATOM 279 C ASN A 21 -16.789 -6.609 -4.581 1.00 0.00 C ATOM 280 O ASN A 21 -15.676 -6.176 -4.877 1.00 0.00 O ATOM 281 CB ASN A 21 -17.281 -7.058 -2.169 1.00 0.00 C ATOM 282 CG ASN A 21 -17.061 -8.017 -1.015 1.00 0.00 C ATOM 283 OD1 ASN A 21 -15.808 -8.162 -0.597 1.00 0.00 O flip ATOM 284 ND2 ASN A 21 -18.005 -8.620 -0.505 1.00 0.00 N flip ATOM 0 H ASN A 21 -15.115 -8.240 -2.710 1.00 0.00 H new ATOM 0 HA ASN A 21 -17.806 -8.329 -3.822 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -16.652 -6.178 -2.031 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -18.316 -6.715 -2.161 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -18.951 -8.478 -0.858 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -17.841 -9.262 0.271 1.00 0.00 H new ATOM 291 N PRO A 22 -17.910 -6.157 -5.162 1.00 0.00 N ATOM 292 CA PRO A 22 -17.903 -5.115 -6.193 1.00 0.00 C ATOM 293 C PRO A 22 -17.525 -3.748 -5.632 1.00 0.00 C ATOM 294 O PRO A 22 -17.128 -2.850 -6.375 1.00 0.00 O ATOM 295 CB PRO A 22 -19.347 -5.105 -6.699 1.00 0.00 C ATOM 296 CG PRO A 22 -20.151 -5.630 -5.559 1.00 0.00 C ATOM 297 CD PRO A 22 -19.272 -6.628 -4.857 1.00 0.00 C ATOM 0 HA PRO A 22 -17.167 -5.317 -6.971 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -19.663 -4.099 -6.976 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -19.461 -5.730 -7.585 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -20.444 -4.825 -4.885 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -21.069 -6.099 -5.912 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -19.461 -6.644 -3.784 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -19.439 -7.640 -5.226 1.00 0.00 H new ATOM 305 N ASP A 23 -17.651 -3.597 -4.319 1.00 0.00 N ATOM 306 CA ASP A 23 -17.322 -2.339 -3.658 1.00 0.00 C ATOM 307 C ASP A 23 -15.811 -2.143 -3.585 1.00 0.00 C ATOM 308 O ASP A 23 -15.298 -1.074 -3.915 1.00 0.00 O ATOM 309 CB ASP A 23 -17.922 -2.305 -2.252 1.00 0.00 C ATOM 310 CG ASP A 23 -19.426 -2.113 -2.268 1.00 0.00 C ATOM 311 OD1 ASP A 23 -20.090 -2.709 -3.142 1.00 0.00 O ATOM 312 OD2 ASP A 23 -19.938 -1.369 -1.406 1.00 0.00 O ATOM 0 H ASP A 23 -17.979 -4.330 -3.690 1.00 0.00 H new ATOM 0 HA ASP A 23 -17.748 -1.526 -4.246 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -17.683 -3.235 -1.736 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -17.462 -1.497 -1.683 1.00 0.00 H new ATOM 317 N GLU A 24 -15.105 -3.182 -3.150 1.00 0.00 N ATOM 318 CA GLU A 24 -13.652 -3.123 -3.033 1.00 0.00 C ATOM 319 C GLU A 24 -13.003 -2.930 -4.400 1.00 0.00 C ATOM 320 O GLU A 24 -13.645 -3.112 -5.436 1.00 0.00 O ATOM 321 CB GLU A 24 -13.119 -4.398 -2.377 1.00 0.00 C ATOM 322 CG GLU A 24 -13.413 -4.487 -0.889 1.00 0.00 C ATOM 323 CD GLU A 24 -14.841 -4.102 -0.553 1.00 0.00 C ATOM 324 OE1 GLU A 24 -15.138 -2.890 -0.525 1.00 0.00 O ATOM 325 OE2 GLU A 24 -15.661 -5.014 -0.318 1.00 0.00 O ATOM 0 H GLU A 24 -15.515 -4.074 -2.873 1.00 0.00 H new ATOM 0 HA GLU A 24 -13.398 -2.268 -2.407 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -13.555 -5.263 -2.877 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -12.041 -4.451 -2.529 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -13.224 -5.504 -0.545 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -12.728 -3.835 -0.347 1.00 0.00 H new ATOM 332 N LEU A 25 -11.727 -2.561 -4.396 1.00 0.00 N ATOM 333 CA LEU A 25 -10.989 -2.343 -5.635 1.00 0.00 C ATOM 334 C LEU A 25 -9.909 -3.404 -5.820 1.00 0.00 C ATOM 335 O LEU A 25 -9.498 -4.058 -4.862 1.00 0.00 O ATOM 336 CB LEU A 25 -10.358 -0.950 -5.638 1.00 0.00 C ATOM 337 CG LEU A 25 -11.267 0.199 -6.077 1.00 0.00 C ATOM 338 CD1 LEU A 25 -10.599 1.539 -5.812 1.00 0.00 C ATOM 339 CD2 LEU A 25 -11.627 0.061 -7.549 1.00 0.00 C ATOM 0 H LEU A 25 -11.182 -2.406 -3.548 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.692 -2.418 -6.465 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -9.995 -0.736 -4.633 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -9.488 -0.969 -6.294 1.00 0.00 H new ATOM 0 HG LEU A 25 -12.186 0.154 -5.493 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -11.260 2.345 -6.131 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -10.393 1.639 -4.746 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -9.664 1.596 -6.369 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -12.274 0.887 -7.844 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -10.717 0.080 -8.149 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -12.148 -0.883 -7.709 1.00 0.00 H new ATOM 351 N ASP A 26 -9.453 -3.567 -7.057 1.00 0.00 N ATOM 352 CA ASP A 26 -8.418 -4.546 -7.367 1.00 0.00 C ATOM 353 C ASP A 26 -7.071 -3.863 -7.584 1.00 0.00 C ATOM 354 O ASP A 26 -6.889 -3.117 -8.547 1.00 0.00 O ATOM 355 CB ASP A 26 -8.802 -5.350 -8.610 1.00 0.00 C ATOM 356 CG ASP A 26 -9.274 -4.466 -9.748 1.00 0.00 C ATOM 357 OD1 ASP A 26 -10.339 -3.830 -9.603 1.00 0.00 O ATOM 358 OD2 ASP A 26 -8.578 -4.410 -10.783 1.00 0.00 O ATOM 0 H ASP A 26 -9.784 -3.034 -7.861 1.00 0.00 H new ATOM 0 HA ASP A 26 -8.329 -5.224 -6.518 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -7.944 -5.935 -8.940 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -9.590 -6.058 -8.352 1.00 0.00 H new ATOM 363 N LEU A 27 -6.130 -4.122 -6.682 1.00 0.00 N ATOM 364 CA LEU A 27 -4.800 -3.532 -6.774 1.00 0.00 C ATOM 365 C LEU A 27 -3.971 -4.221 -7.853 1.00 0.00 C ATOM 366 O LEU A 27 -4.364 -5.261 -8.382 1.00 0.00 O ATOM 367 CB LEU A 27 -4.083 -3.628 -5.426 1.00 0.00 C ATOM 368 CG LEU A 27 -4.577 -2.678 -4.334 1.00 0.00 C ATOM 369 CD1 LEU A 27 -4.170 -3.187 -2.960 1.00 0.00 C ATOM 370 CD2 LEU A 27 -4.038 -1.274 -4.566 1.00 0.00 C ATOM 0 H LEU A 27 -6.264 -4.737 -5.879 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.914 -2.482 -7.044 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.176 -4.650 -5.060 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.021 -3.443 -5.588 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.665 -2.640 -4.377 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.530 -2.498 -2.196 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.604 -4.173 -2.794 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.084 -3.255 -2.904 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.399 -0.611 -3.780 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.948 -1.295 -4.550 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.380 -0.908 -5.534 1.00 0.00 H new ATOM 382 N SER A 28 -2.822 -3.635 -8.175 1.00 0.00 N ATOM 383 CA SER A 28 -1.939 -4.192 -9.193 1.00 0.00 C ATOM 384 C SER A 28 -0.513 -3.677 -9.015 1.00 0.00 C ATOM 385 O SER A 28 -0.261 -2.475 -9.096 1.00 0.00 O ATOM 386 CB SER A 28 -2.450 -3.839 -10.591 1.00 0.00 C ATOM 387 OG SER A 28 -1.875 -4.683 -11.572 1.00 0.00 O ATOM 0 H SER A 28 -2.481 -2.775 -7.746 1.00 0.00 H new ATOM 0 HA SER A 28 -1.933 -5.276 -9.080 1.00 0.00 H new ATOM 0 HB2 SER A 28 -3.536 -3.931 -10.619 1.00 0.00 H new ATOM 0 HB3 SER A 28 -2.212 -2.799 -10.817 1.00 0.00 H new ATOM 0 HG SER A 28 -2.219 -4.438 -12.456 1.00 0.00 H new ATOM 393 N ALA A 29 0.415 -4.596 -8.773 1.00 0.00 N ATOM 394 CA ALA A 29 1.815 -4.237 -8.586 1.00 0.00 C ATOM 395 C ALA A 29 2.279 -3.257 -9.658 1.00 0.00 C ATOM 396 O ALA A 29 2.265 -3.571 -10.848 1.00 0.00 O ATOM 397 CB ALA A 29 2.686 -5.484 -8.596 1.00 0.00 C ATOM 0 H ALA A 29 0.223 -5.595 -8.702 1.00 0.00 H new ATOM 0 HA ALA A 29 1.912 -3.747 -7.617 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.729 -5.200 -8.455 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.379 -6.149 -7.789 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.575 -5.997 -9.551 1.00 0.00 H new ATOM 403 N GLY A 30 2.688 -2.067 -9.229 1.00 0.00 N ATOM 404 CA GLY A 30 3.149 -1.059 -10.166 1.00 0.00 C ATOM 405 C GLY A 30 2.170 0.090 -10.310 1.00 0.00 C ATOM 406 O GLY A 30 2.334 0.949 -11.176 1.00 0.00 O ATOM 0 H GLY A 30 2.708 -1.783 -8.250 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.112 -0.672 -9.834 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.310 -1.520 -11.141 1.00 0.00 H new ATOM 410 N ASP A 31 1.149 0.105 -9.460 1.00 0.00 N ATOM 411 CA ASP A 31 0.139 1.156 -9.496 1.00 0.00 C ATOM 412 C ASP A 31 0.405 2.203 -8.419 1.00 0.00 C ATOM 413 O ASP A 31 1.030 1.912 -7.398 1.00 0.00 O ATOM 414 CB ASP A 31 -1.256 0.559 -9.311 1.00 0.00 C ATOM 415 CG ASP A 31 -2.331 1.374 -10.003 1.00 0.00 C ATOM 416 OD1 ASP A 31 -2.672 2.462 -9.493 1.00 0.00 O ATOM 417 OD2 ASP A 31 -2.832 0.924 -11.054 1.00 0.00 O ATOM 0 H ASP A 31 0.999 -0.599 -8.737 1.00 0.00 H new ATOM 0 HA ASP A 31 0.191 1.642 -10.470 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.267 -0.458 -9.702 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -1.482 0.494 -8.247 1.00 0.00 H new ATOM 422 N ILE A 32 -0.072 3.420 -8.653 1.00 0.00 N ATOM 423 CA ILE A 32 0.115 4.510 -7.703 1.00 0.00 C ATOM 424 C ILE A 32 -1.226 5.041 -7.206 1.00 0.00 C ATOM 425 O ILE A 32 -1.928 5.754 -7.923 1.00 0.00 O ATOM 426 CB ILE A 32 0.915 5.669 -8.325 1.00 0.00 C ATOM 427 CG1 ILE A 32 2.227 5.152 -8.918 1.00 0.00 C ATOM 428 CG2 ILE A 32 1.185 6.745 -7.284 1.00 0.00 C ATOM 429 CD1 ILE A 32 3.285 4.857 -7.878 1.00 0.00 C ATOM 0 H ILE A 32 -0.591 3.677 -9.493 1.00 0.00 H new ATOM 0 HA ILE A 32 0.677 4.103 -6.862 1.00 0.00 H new ATOM 0 HB ILE A 32 0.324 6.109 -9.128 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.026 4.245 -9.488 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.615 5.890 -9.620 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.751 7.558 -7.739 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.238 7.130 -6.905 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.759 6.319 -6.461 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.188 4.495 -8.370 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.514 5.767 -7.324 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.917 4.096 -7.190 1.00 0.00 H new ATOM 441 N LEU A 33 -1.574 4.690 -5.973 1.00 0.00 N ATOM 442 CA LEU A 33 -2.830 5.133 -5.377 1.00 0.00 C ATOM 443 C LEU A 33 -2.575 6.090 -4.217 1.00 0.00 C ATOM 444 O LEU A 33 -1.478 6.127 -3.661 1.00 0.00 O ATOM 445 CB LEU A 33 -3.639 3.929 -4.892 1.00 0.00 C ATOM 446 CG LEU A 33 -3.643 2.708 -5.812 1.00 0.00 C ATOM 447 CD1 LEU A 33 -2.323 1.960 -5.712 1.00 0.00 C ATOM 448 CD2 LEU A 33 -4.807 1.788 -5.472 1.00 0.00 C ATOM 0 H LEU A 33 -1.004 4.100 -5.366 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.400 5.662 -6.141 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.252 3.625 -3.919 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.670 4.247 -4.739 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.765 3.051 -6.839 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.344 1.094 -6.374 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.507 2.621 -6.005 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.170 1.628 -4.685 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.794 0.924 -6.137 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.716 1.452 -4.439 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.746 2.328 -5.596 1.00 0.00 H new ATOM 460 N GLU A 34 -3.597 6.860 -3.856 1.00 0.00 N ATOM 461 CA GLU A 34 -3.482 7.816 -2.761 1.00 0.00 C ATOM 462 C GLU A 34 -4.425 7.449 -1.618 1.00 0.00 C ATOM 463 O GLU A 34 -5.646 7.453 -1.780 1.00 0.00 O ATOM 464 CB GLU A 34 -3.789 9.231 -3.255 1.00 0.00 C ATOM 465 CG GLU A 34 -2.572 9.965 -3.793 1.00 0.00 C ATOM 466 CD GLU A 34 -2.928 10.980 -4.861 1.00 0.00 C ATOM 467 OE1 GLU A 34 -3.154 10.570 -6.019 1.00 0.00 O ATOM 468 OE2 GLU A 34 -2.979 12.186 -4.539 1.00 0.00 O ATOM 0 H GLU A 34 -4.513 6.840 -4.305 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.458 7.783 -2.390 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -4.546 9.177 -4.038 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.218 9.808 -2.436 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.065 10.471 -2.971 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.869 9.241 -4.205 1.00 0.00 H new ATOM 475 N VAL A 35 -3.850 7.132 -0.463 1.00 0.00 N ATOM 476 CA VAL A 35 -4.637 6.763 0.707 1.00 0.00 C ATOM 477 C VAL A 35 -5.206 7.997 1.398 1.00 0.00 C ATOM 478 O VAL A 35 -4.461 8.849 1.882 1.00 0.00 O ATOM 479 CB VAL A 35 -3.797 5.963 1.720 1.00 0.00 C ATOM 480 CG1 VAL A 35 -2.597 6.777 2.180 1.00 0.00 C ATOM 481 CG2 VAL A 35 -4.651 5.542 2.906 1.00 0.00 C ATOM 0 H VAL A 35 -2.841 7.123 -0.312 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.456 6.138 0.352 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.429 5.062 1.229 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.015 6.195 2.895 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.974 7.023 1.321 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.941 7.696 2.654 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.041 4.978 3.612 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.051 6.428 3.399 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.474 4.918 2.558 1.00 0.00 H new ATOM 491 N ILE A 36 -6.531 8.086 1.441 1.00 0.00 N ATOM 492 CA ILE A 36 -7.201 9.215 2.074 1.00 0.00 C ATOM 493 C ILE A 36 -7.311 9.015 3.582 1.00 0.00 C ATOM 494 O ILE A 36 -7.029 9.925 4.363 1.00 0.00 O ATOM 495 CB ILE A 36 -8.610 9.433 1.492 1.00 0.00 C ATOM 496 CG1 ILE A 36 -8.535 9.635 -0.022 1.00 0.00 C ATOM 497 CG2 ILE A 36 -9.280 10.625 2.159 1.00 0.00 C ATOM 498 CD1 ILE A 36 -7.756 10.866 -0.430 1.00 0.00 C ATOM 0 H ILE A 36 -7.162 7.389 1.045 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.593 10.096 1.870 1.00 0.00 H new ATOM 0 HB ILE A 36 -9.210 8.545 1.691 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.075 8.757 -0.475 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -9.547 9.706 -0.421 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.275 10.766 1.737 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.363 10.443 3.231 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.683 11.521 1.988 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.744 10.946 -1.517 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -8.228 11.752 -0.006 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.733 10.788 -0.061 1.00 0.00 H new ATOM 510 N LEU A 37 -7.720 7.817 3.985 1.00 0.00 N ATOM 511 CA LEU A 37 -7.865 7.495 5.400 1.00 0.00 C ATOM 512 C LEU A 37 -7.356 6.087 5.693 1.00 0.00 C ATOM 513 O LEU A 37 -7.496 5.183 4.870 1.00 0.00 O ATOM 514 CB LEU A 37 -9.330 7.618 5.824 1.00 0.00 C ATOM 515 CG LEU A 37 -9.577 7.942 7.298 1.00 0.00 C ATOM 516 CD1 LEU A 37 -10.945 8.582 7.481 1.00 0.00 C ATOM 517 CD2 LEU A 37 -9.456 6.686 8.148 1.00 0.00 C ATOM 0 H LEU A 37 -7.957 7.053 3.352 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.267 8.204 5.972 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -9.799 8.394 5.219 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -9.835 6.681 5.589 1.00 0.00 H new ATOM 0 HG LEU A 37 -8.819 8.653 7.626 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -11.104 8.806 8.536 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.995 9.505 6.903 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -11.717 7.895 7.136 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -9.635 6.936 9.194 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -10.192 5.952 7.819 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -8.455 6.269 8.041 1.00 0.00 H new ATOM 529 N GLU A 38 -6.768 5.909 6.872 1.00 0.00 N ATOM 530 CA GLU A 38 -6.240 4.610 7.273 1.00 0.00 C ATOM 531 C GLU A 38 -7.145 3.952 8.311 1.00 0.00 C ATOM 532 O GLU A 38 -7.352 4.488 9.399 1.00 0.00 O ATOM 533 CB GLU A 38 -4.826 4.762 7.837 1.00 0.00 C ATOM 534 CG GLU A 38 -3.763 4.959 6.769 1.00 0.00 C ATOM 535 CD GLU A 38 -2.443 5.438 7.340 1.00 0.00 C ATOM 536 OE1 GLU A 38 -2.081 4.997 8.451 1.00 0.00 O ATOM 537 OE2 GLU A 38 -1.772 6.256 6.676 1.00 0.00 O ATOM 0 H GLU A 38 -6.645 6.647 7.565 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.205 3.972 6.390 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.805 5.612 8.519 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -4.580 3.876 8.423 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.606 4.019 6.241 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.120 5.681 6.035 1.00 0.00 H new ATOM 544 N GLY A 39 -7.683 2.787 7.965 1.00 0.00 N ATOM 545 CA GLY A 39 -8.559 2.074 8.877 1.00 0.00 C ATOM 546 C GLY A 39 -7.845 0.961 9.617 1.00 0.00 C ATOM 547 O GLY A 39 -7.125 0.167 9.011 1.00 0.00 O ATOM 0 H GLY A 39 -7.528 2.324 7.070 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.976 2.776 9.599 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.396 1.656 8.319 1.00 0.00 H new ATOM 551 N GLU A 40 -8.044 0.903 10.930 1.00 0.00 N ATOM 552 CA GLU A 40 -7.411 -0.121 11.753 1.00 0.00 C ATOM 553 C GLU A 40 -7.883 -1.514 11.348 1.00 0.00 C ATOM 554 O GLU A 40 -7.085 -2.445 11.239 1.00 0.00 O ATOM 555 CB GLU A 40 -7.715 0.123 13.233 1.00 0.00 C ATOM 556 CG GLU A 40 -6.626 -0.377 14.168 1.00 0.00 C ATOM 557 CD GLU A 40 -7.003 -0.234 15.630 1.00 0.00 C ATOM 558 OE1 GLU A 40 -7.993 -0.868 16.052 1.00 0.00 O ATOM 559 OE2 GLU A 40 -6.307 0.511 16.351 1.00 0.00 O ATOM 0 H GLU A 40 -8.638 1.552 11.446 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.334 -0.062 11.596 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.859 1.191 13.395 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.655 -0.367 13.488 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.418 -1.425 13.951 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.706 0.176 13.978 1.00 0.00 H new ATOM 566 N ASP A 41 -9.186 -1.649 11.127 1.00 0.00 N ATOM 567 CA ASP A 41 -9.767 -2.928 10.734 1.00 0.00 C ATOM 568 C ASP A 41 -8.906 -3.613 9.677 1.00 0.00 C ATOM 569 O ASP A 41 -8.773 -4.836 9.668 1.00 0.00 O ATOM 570 CB ASP A 41 -11.186 -2.726 10.201 1.00 0.00 C ATOM 571 CG ASP A 41 -12.101 -2.079 11.222 1.00 0.00 C ATOM 572 OD1 ASP A 41 -12.094 -2.523 12.389 1.00 0.00 O ATOM 573 OD2 ASP A 41 -12.826 -1.131 10.854 1.00 0.00 O ATOM 0 H ASP A 41 -9.860 -0.888 11.213 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.807 -3.568 11.616 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.150 -2.106 9.305 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.600 -3.690 9.905 1.00 0.00 H new ATOM 578 N GLY A 42 -8.323 -2.815 8.787 1.00 0.00 N ATOM 579 CA GLY A 42 -7.484 -3.363 7.737 1.00 0.00 C ATOM 580 C GLY A 42 -7.951 -2.961 6.352 1.00 0.00 C ATOM 581 O GLY A 42 -7.537 -3.552 5.355 1.00 0.00 O ATOM 0 H GLY A 42 -8.417 -1.799 8.775 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.458 -3.026 7.883 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.476 -4.450 7.813 1.00 0.00 H new ATOM 585 N TRP A 43 -8.815 -1.955 6.291 1.00 0.00 N ATOM 586 CA TRP A 43 -9.340 -1.475 5.017 1.00 0.00 C ATOM 587 C TRP A 43 -8.914 -0.034 4.760 1.00 0.00 C ATOM 588 O TRP A 43 -9.469 0.899 5.340 1.00 0.00 O ATOM 589 CB TRP A 43 -10.866 -1.580 4.999 1.00 0.00 C ATOM 590 CG TRP A 43 -11.365 -2.993 5.019 1.00 0.00 C ATOM 591 CD1 TRP A 43 -12.012 -3.619 6.046 1.00 0.00 C ATOM 592 CD2 TRP A 43 -11.255 -3.956 3.965 1.00 0.00 C ATOM 593 NE1 TRP A 43 -12.312 -4.913 5.694 1.00 0.00 N ATOM 594 CE2 TRP A 43 -11.859 -5.144 4.422 1.00 0.00 C ATOM 595 CE3 TRP A 43 -10.708 -3.929 2.680 1.00 0.00 C ATOM 596 CZ2 TRP A 43 -11.928 -6.293 3.638 1.00 0.00 C ATOM 597 CZ3 TRP A 43 -10.778 -5.070 1.903 1.00 0.00 C ATOM 598 CH2 TRP A 43 -11.384 -6.238 2.383 1.00 0.00 C ATOM 0 H TRP A 43 -9.167 -1.456 7.108 1.00 0.00 H new ATOM 0 HA TRP A 43 -8.930 -2.101 4.225 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -11.270 -1.048 5.860 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -11.247 -1.080 4.108 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -12.253 -3.164 6.995 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -12.794 -5.591 6.284 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -10.239 -3.033 2.301 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -12.394 -7.195 4.007 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -10.358 -5.061 0.908 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -11.423 -7.113 1.750 1.00 0.00 H new ATOM 609 N TRP A 44 -7.927 0.140 3.889 1.00 0.00 N ATOM 610 CA TRP A 44 -7.427 1.469 3.555 1.00 0.00 C ATOM 611 C TRP A 44 -8.196 2.061 2.379 1.00 0.00 C ATOM 612 O TRP A 44 -8.408 1.396 1.365 1.00 0.00 O ATOM 613 CB TRP A 44 -5.935 1.407 3.226 1.00 0.00 C ATOM 614 CG TRP A 44 -5.073 1.141 4.422 1.00 0.00 C ATOM 615 CD1 TRP A 44 -5.373 0.342 5.488 1.00 0.00 C ATOM 616 CD2 TRP A 44 -3.770 1.678 4.675 1.00 0.00 C ATOM 617 NE1 TRP A 44 -4.336 0.350 6.389 1.00 0.00 N ATOM 618 CE2 TRP A 44 -3.339 1.161 5.913 1.00 0.00 C ATOM 619 CE3 TRP A 44 -2.924 2.543 3.976 1.00 0.00 C ATOM 620 CZ2 TRP A 44 -2.102 1.482 6.464 1.00 0.00 C ATOM 621 CZ3 TRP A 44 -1.696 2.862 4.525 1.00 0.00 C ATOM 622 CH2 TRP A 44 -1.294 2.332 5.758 1.00 0.00 C ATOM 0 H TRP A 44 -7.457 -0.622 3.401 1.00 0.00 H new ATOM 0 HA TRP A 44 -7.574 2.114 4.422 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -5.766 0.626 2.485 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -5.631 2.350 2.771 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -6.291 -0.215 5.606 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -4.312 -0.164 7.270 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.224 2.955 3.024 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -1.791 1.075 7.415 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -1.035 3.531 3.994 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.328 2.599 6.159 1.00 0.00 H new ATOM 633 N THR A 45 -8.613 3.315 2.521 1.00 0.00 N ATOM 634 CA THR A 45 -9.359 3.996 1.471 1.00 0.00 C ATOM 635 C THR A 45 -8.424 4.744 0.528 1.00 0.00 C ATOM 636 O THR A 45 -7.801 5.734 0.912 1.00 0.00 O ATOM 637 CB THR A 45 -10.379 4.989 2.060 1.00 0.00 C ATOM 638 OG1 THR A 45 -11.390 4.281 2.786 1.00 0.00 O ATOM 639 CG2 THR A 45 -11.024 5.819 0.960 1.00 0.00 C ATOM 0 H THR A 45 -8.446 3.880 3.354 1.00 0.00 H new ATOM 0 HA THR A 45 -9.893 3.227 0.913 1.00 0.00 H new ATOM 0 HB THR A 45 -9.850 5.660 2.737 1.00 0.00 H new ATOM 0 HG1 THR A 45 -11.739 3.551 2.233 1.00 0.00 H new ATOM 0 HG21 THR A 45 -11.740 6.513 1.400 1.00 0.00 H new ATOM 0 HG22 THR A 45 -10.255 6.380 0.429 1.00 0.00 H new ATOM 0 HG23 THR A 45 -11.540 5.160 0.262 1.00 0.00 H new ATOM 647 N VAL A 46 -8.331 4.266 -0.708 1.00 0.00 N ATOM 648 CA VAL A 46 -7.472 4.891 -1.707 1.00 0.00 C ATOM 649 C VAL A 46 -8.253 5.219 -2.975 1.00 0.00 C ATOM 650 O VAL A 46 -9.252 4.571 -3.285 1.00 0.00 O ATOM 651 CB VAL A 46 -6.281 3.985 -2.070 1.00 0.00 C ATOM 652 CG1 VAL A 46 -5.447 3.678 -0.836 1.00 0.00 C ATOM 653 CG2 VAL A 46 -6.770 2.702 -2.726 1.00 0.00 C ATOM 0 H VAL A 46 -8.840 3.448 -1.042 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.095 5.814 -1.267 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.649 4.514 -2.783 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.610 3.037 -1.113 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.067 4.608 -0.413 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.065 3.169 -0.096 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.916 2.073 -2.976 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.425 2.168 -2.037 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.320 2.945 -3.635 1.00 0.00 H new ATOM 663 N GLU A 47 -7.789 6.228 -3.705 1.00 0.00 N ATOM 664 CA GLU A 47 -8.445 6.642 -4.940 1.00 0.00 C ATOM 665 C GLU A 47 -7.625 6.224 -6.158 1.00 0.00 C ATOM 666 O GLU A 47 -6.421 6.470 -6.223 1.00 0.00 O ATOM 667 CB GLU A 47 -8.655 8.157 -4.949 1.00 0.00 C ATOM 668 CG GLU A 47 -9.263 8.680 -6.240 1.00 0.00 C ATOM 669 CD GLU A 47 -8.215 9.037 -7.276 1.00 0.00 C ATOM 670 OE1 GLU A 47 -7.064 9.319 -6.882 1.00 0.00 O ATOM 671 OE2 GLU A 47 -8.545 9.035 -8.480 1.00 0.00 O ATOM 0 H GLU A 47 -6.962 6.774 -3.463 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.415 6.148 -4.989 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.302 8.431 -4.116 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.697 8.649 -4.783 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.934 7.927 -6.652 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.868 9.560 -6.022 1.00 0.00 H new ATOM 678 N ARG A 48 -8.287 5.589 -7.120 1.00 0.00 N ATOM 679 CA ARG A 48 -7.621 5.135 -8.334 1.00 0.00 C ATOM 680 C ARG A 48 -8.510 5.350 -9.555 1.00 0.00 C ATOM 681 O ARG A 48 -9.713 5.093 -9.513 1.00 0.00 O ATOM 682 CB ARG A 48 -7.250 3.656 -8.215 1.00 0.00 C ATOM 683 CG ARG A 48 -6.184 3.213 -9.204 1.00 0.00 C ATOM 684 CD ARG A 48 -6.007 1.703 -9.194 1.00 0.00 C ATOM 685 NE ARG A 48 -7.152 1.014 -9.781 1.00 0.00 N ATOM 686 CZ ARG A 48 -7.472 1.085 -11.069 1.00 0.00 C ATOM 687 NH1 ARG A 48 -6.735 1.811 -11.899 1.00 0.00 N ATOM 688 NH2 ARG A 48 -8.529 0.429 -11.529 1.00 0.00 N ATOM 0 H ARG A 48 -9.284 5.378 -7.082 1.00 0.00 H new ATOM 0 HA ARG A 48 -6.711 5.722 -8.460 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -6.898 3.459 -7.202 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -8.145 3.053 -8.365 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -6.458 3.542 -10.207 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -5.237 3.693 -8.959 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -5.104 1.440 -9.745 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -5.865 1.361 -8.169 1.00 0.00 H new ATOM 0 HE ARG A 48 -7.739 0.447 -9.169 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -5.921 2.316 -11.549 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -6.982 1.864 -12.887 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -9.098 -0.131 -10.894 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -8.773 0.485 -12.518 1.00 0.00 H new ATOM 702 N ASN A 49 -7.910 5.824 -10.642 1.00 0.00 N ATOM 703 CA ASN A 49 -8.647 6.075 -11.875 1.00 0.00 C ATOM 704 C ASN A 49 -9.928 6.855 -11.594 1.00 0.00 C ATOM 705 O ASN A 49 -10.986 6.552 -12.143 1.00 0.00 O ATOM 706 CB ASN A 49 -8.985 4.754 -12.570 1.00 0.00 C ATOM 707 CG ASN A 49 -9.283 4.937 -14.046 1.00 0.00 C ATOM 708 OD1 ASN A 49 -8.842 5.906 -14.664 1.00 0.00 O ATOM 709 ND2 ASN A 49 -10.036 4.004 -14.617 1.00 0.00 N ATOM 0 H ASN A 49 -6.915 6.042 -10.694 1.00 0.00 H new ATOM 0 HA ASN A 49 -8.014 6.673 -12.531 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -8.151 4.062 -12.454 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -9.847 4.300 -12.082 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -10.271 4.074 -15.607 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -10.380 3.218 -14.065 1.00 0.00 H new ATOM 716 N GLY A 50 -9.822 7.864 -10.734 1.00 0.00 N ATOM 717 CA GLY A 50 -10.978 8.673 -10.394 1.00 0.00 C ATOM 718 C GLY A 50 -12.064 7.873 -9.703 1.00 0.00 C ATOM 719 O GLY A 50 -13.241 8.225 -9.770 1.00 0.00 O ATOM 0 H GLY A 50 -8.957 8.135 -10.267 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -10.666 9.492 -9.746 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -11.383 9.121 -11.301 1.00 0.00 H new ATOM 723 N GLN A 51 -11.668 6.791 -9.039 1.00 0.00 N ATOM 724 CA GLN A 51 -12.617 5.937 -8.335 1.00 0.00 C ATOM 725 C GLN A 51 -12.211 5.759 -6.876 1.00 0.00 C ATOM 726 O GLN A 51 -11.044 5.925 -6.522 1.00 0.00 O ATOM 727 CB GLN A 51 -12.713 4.573 -9.020 1.00 0.00 C ATOM 728 CG GLN A 51 -13.319 4.633 -10.413 1.00 0.00 C ATOM 729 CD GLN A 51 -14.834 4.570 -10.394 1.00 0.00 C ATOM 730 OE1 GLN A 51 -15.505 5.576 -10.162 1.00 0.00 O ATOM 731 NE2 GLN A 51 -15.381 3.385 -10.637 1.00 0.00 N ATOM 0 H GLN A 51 -10.697 6.486 -8.974 1.00 0.00 H new ATOM 0 HA GLN A 51 -13.594 6.420 -8.365 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -11.716 4.137 -9.085 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -13.312 3.906 -8.400 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -13.004 5.554 -10.903 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -12.932 3.806 -11.009 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -14.786 2.578 -10.824 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -16.396 3.282 -10.636 1.00 0.00 H new ATOM 740 N ARG A 52 -13.182 5.422 -6.034 1.00 0.00 N ATOM 741 CA ARG A 52 -12.926 5.224 -4.612 1.00 0.00 C ATOM 742 C ARG A 52 -13.292 3.805 -4.187 1.00 0.00 C ATOM 743 O ARG A 52 -14.348 3.289 -4.553 1.00 0.00 O ATOM 744 CB ARG A 52 -13.717 6.237 -3.783 1.00 0.00 C ATOM 745 CG ARG A 52 -13.114 6.506 -2.414 1.00 0.00 C ATOM 746 CD ARG A 52 -13.896 7.572 -1.661 1.00 0.00 C ATOM 747 NE ARG A 52 -15.149 7.051 -1.121 1.00 0.00 N ATOM 748 CZ ARG A 52 -15.836 7.647 -0.152 1.00 0.00 C ATOM 749 NH1 ARG A 52 -15.393 8.779 0.379 1.00 0.00 N ATOM 750 NH2 ARG A 52 -16.968 7.112 0.286 1.00 0.00 N ATOM 0 H ARG A 52 -14.153 5.280 -6.311 1.00 0.00 H new ATOM 0 HA ARG A 52 -11.861 5.375 -4.436 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -13.779 7.175 -4.334 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -14.737 5.873 -3.657 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -13.101 5.584 -1.833 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -12.078 6.825 -2.528 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -13.285 7.963 -0.847 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -14.108 8.406 -2.330 1.00 0.00 H new ATOM 0 HE ARG A 52 -15.517 6.182 -1.509 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -14.524 9.194 0.044 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -15.922 9.235 1.123 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -17.312 6.242 -0.121 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -17.494 7.570 1.030 1.00 0.00 H new ATOM 764 N GLY A 53 -12.412 3.179 -3.411 1.00 0.00 N ATOM 765 CA GLY A 53 -12.661 1.826 -2.949 1.00 0.00 C ATOM 766 C GLY A 53 -11.888 1.492 -1.689 1.00 0.00 C ATOM 767 O GLY A 53 -11.131 2.318 -1.179 1.00 0.00 O ATOM 0 H GLY A 53 -11.531 3.585 -3.094 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -13.727 1.700 -2.761 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.390 1.121 -3.735 1.00 0.00 H new ATOM 771 N PHE A 54 -12.078 0.277 -1.184 1.00 0.00 N ATOM 772 CA PHE A 54 -11.394 -0.163 0.026 1.00 0.00 C ATOM 773 C PHE A 54 -10.539 -1.396 -0.251 1.00 0.00 C ATOM 774 O PHE A 54 -11.028 -2.404 -0.761 1.00 0.00 O ATOM 775 CB PHE A 54 -12.410 -0.471 1.128 1.00 0.00 C ATOM 776 CG PHE A 54 -13.487 0.569 1.258 1.00 0.00 C ATOM 777 CD1 PHE A 54 -14.619 0.516 0.461 1.00 0.00 C ATOM 778 CD2 PHE A 54 -13.366 1.599 2.177 1.00 0.00 C ATOM 779 CE1 PHE A 54 -15.611 1.471 0.578 1.00 0.00 C ATOM 780 CE2 PHE A 54 -14.355 2.556 2.299 1.00 0.00 C ATOM 781 CZ PHE A 54 -15.479 2.493 1.498 1.00 0.00 C ATOM 0 H PHE A 54 -12.700 -0.420 -1.594 1.00 0.00 H new ATOM 0 HA PHE A 54 -10.741 0.644 0.358 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -12.872 -1.437 0.926 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -11.886 -0.561 2.080 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -14.727 -0.281 -0.260 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -12.489 1.654 2.805 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -16.489 1.418 -0.049 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -14.250 3.353 3.020 1.00 0.00 H new ATOM 0 HZ PHE A 54 -16.253 3.241 1.591 1.00 0.00 H new ATOM 791 N VAL A 55 -9.256 -1.308 0.089 1.00 0.00 N ATOM 792 CA VAL A 55 -8.332 -2.415 -0.121 1.00 0.00 C ATOM 793 C VAL A 55 -7.425 -2.612 1.089 1.00 0.00 C ATOM 794 O VAL A 55 -7.114 -1.673 1.822 1.00 0.00 O ATOM 795 CB VAL A 55 -7.459 -2.188 -1.371 1.00 0.00 C ATOM 796 CG1 VAL A 55 -8.331 -1.958 -2.596 1.00 0.00 C ATOM 797 CG2 VAL A 55 -6.512 -1.018 -1.153 1.00 0.00 C ATOM 0 H VAL A 55 -8.834 -0.481 0.511 1.00 0.00 H new ATOM 0 HA VAL A 55 -8.938 -3.309 -0.267 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.861 -3.083 -1.543 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.698 -1.800 -3.469 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.964 -2.830 -2.761 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.957 -1.080 -2.438 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.903 -0.872 -2.045 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.089 -0.115 -0.955 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.864 -1.228 -0.302 1.00 0.00 H new ATOM 807 N PRO A 56 -6.990 -3.862 1.305 1.00 0.00 N ATOM 808 CA PRO A 56 -6.112 -4.212 2.425 1.00 0.00 C ATOM 809 C PRO A 56 -4.706 -3.647 2.258 1.00 0.00 C ATOM 810 O PRO A 56 -4.167 -3.614 1.152 1.00 0.00 O ATOM 811 CB PRO A 56 -6.082 -5.742 2.387 1.00 0.00 C ATOM 812 CG PRO A 56 -6.381 -6.092 0.970 1.00 0.00 C ATOM 813 CD PRO A 56 -7.322 -5.030 0.471 1.00 0.00 C ATOM 0 HA PRO A 56 -6.472 -3.802 3.369 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -5.109 -6.127 2.693 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.821 -6.169 3.065 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -5.469 -6.117 0.373 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -6.835 -7.080 0.900 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -7.170 -4.824 -0.588 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -8.364 -5.327 0.592 1.00 0.00 H new ATOM 821 N GLY A 57 -4.116 -3.204 3.364 1.00 0.00 N ATOM 822 CA GLY A 57 -2.777 -2.646 3.318 1.00 0.00 C ATOM 823 C GLY A 57 -1.722 -3.695 3.026 1.00 0.00 C ATOM 824 O GLY A 57 -0.679 -3.392 2.446 1.00 0.00 O ATOM 0 H GLY A 57 -4.541 -3.222 4.291 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.736 -1.871 2.553 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.554 -2.166 4.271 1.00 0.00 H new ATOM 828 N SER A 58 -1.992 -4.932 3.431 1.00 0.00 N ATOM 829 CA SER A 58 -1.055 -6.028 3.214 1.00 0.00 C ATOM 830 C SER A 58 -0.560 -6.043 1.772 1.00 0.00 C ATOM 831 O SER A 58 0.519 -6.560 1.479 1.00 0.00 O ATOM 832 CB SER A 58 -1.716 -7.366 3.552 1.00 0.00 C ATOM 833 OG SER A 58 -1.909 -7.501 4.950 1.00 0.00 O ATOM 0 H SER A 58 -2.851 -5.200 3.911 1.00 0.00 H new ATOM 0 HA SER A 58 -0.199 -5.877 3.872 1.00 0.00 H new ATOM 0 HB2 SER A 58 -2.676 -7.441 3.040 1.00 0.00 H new ATOM 0 HB3 SER A 58 -1.095 -8.184 3.187 1.00 0.00 H new ATOM 0 HG SER A 58 -2.334 -8.363 5.140 1.00 0.00 H new ATOM 839 N TYR A 59 -1.355 -5.472 0.874 1.00 0.00 N ATOM 840 CA TYR A 59 -1.000 -5.421 -0.539 1.00 0.00 C ATOM 841 C TYR A 59 -0.522 -4.026 -0.931 1.00 0.00 C ATOM 842 O TYR A 59 -0.721 -3.583 -2.063 1.00 0.00 O ATOM 843 CB TYR A 59 -2.198 -5.822 -1.402 1.00 0.00 C ATOM 844 CG TYR A 59 -2.447 -7.313 -1.436 1.00 0.00 C ATOM 845 CD1 TYR A 59 -1.823 -8.121 -2.379 1.00 0.00 C ATOM 846 CD2 TYR A 59 -3.308 -7.915 -0.526 1.00 0.00 C ATOM 847 CE1 TYR A 59 -2.048 -9.483 -2.415 1.00 0.00 C ATOM 848 CE2 TYR A 59 -3.538 -9.276 -0.553 1.00 0.00 C ATOM 849 CZ TYR A 59 -2.906 -10.056 -1.499 1.00 0.00 C ATOM 850 OH TYR A 59 -3.134 -11.413 -1.530 1.00 0.00 O ATOM 0 H TYR A 59 -2.250 -5.038 1.100 1.00 0.00 H new ATOM 0 HA TYR A 59 -0.186 -6.126 -0.708 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -3.090 -5.322 -1.026 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.038 -5.465 -2.420 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.150 -7.676 -3.097 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -3.806 -7.307 0.215 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.555 -10.096 -3.155 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -4.209 -9.728 0.163 1.00 0.00 H new ATOM 0 HH TYR A 59 -3.762 -11.656 -0.818 1.00 0.00 H new ATOM 860 N LEU A 60 0.111 -3.339 0.014 1.00 0.00 N ATOM 861 CA LEU A 60 0.620 -1.994 -0.231 1.00 0.00 C ATOM 862 C LEU A 60 2.021 -1.828 0.349 1.00 0.00 C ATOM 863 O LEU A 60 2.367 -2.457 1.349 1.00 0.00 O ATOM 864 CB LEU A 60 -0.322 -0.953 0.377 1.00 0.00 C ATOM 865 CG LEU A 60 -1.709 -0.851 -0.259 1.00 0.00 C ATOM 866 CD1 LEU A 60 -2.627 0.008 0.597 1.00 0.00 C ATOM 867 CD2 LEU A 60 -1.609 -0.285 -1.669 1.00 0.00 C ATOM 0 H LEU A 60 0.284 -3.691 0.956 1.00 0.00 H new ATOM 0 HA LEU A 60 0.673 -1.843 -1.309 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.446 -1.179 1.436 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.158 0.024 0.313 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.134 -1.853 -0.320 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.609 0.069 0.129 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.724 -0.438 1.587 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.206 1.009 0.690 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.605 -0.219 -2.106 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.163 0.709 -1.631 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.987 -0.939 -2.280 1.00 0.00 H new ATOM 879 N GLU A 61 2.821 -0.976 -0.284 1.00 0.00 N ATOM 880 CA GLU A 61 4.184 -0.727 0.171 1.00 0.00 C ATOM 881 C GLU A 61 4.452 0.770 0.293 1.00 0.00 C ATOM 882 O GLU A 61 4.780 1.436 -0.689 1.00 0.00 O ATOM 883 CB GLU A 61 5.191 -1.360 -0.793 1.00 0.00 C ATOM 884 CG GLU A 61 6.626 -0.930 -0.542 1.00 0.00 C ATOM 885 CD GLU A 61 7.592 -1.498 -1.563 1.00 0.00 C ATOM 886 OE1 GLU A 61 7.545 -1.062 -2.732 1.00 0.00 O ATOM 887 OE2 GLU A 61 8.396 -2.379 -1.193 1.00 0.00 O ATOM 0 H GLU A 61 2.549 -0.447 -1.113 1.00 0.00 H new ATOM 0 HA GLU A 61 4.300 -1.181 1.155 1.00 0.00 H new ATOM 0 HB2 GLU A 61 5.126 -2.445 -0.712 1.00 0.00 H new ATOM 0 HB3 GLU A 61 4.916 -1.100 -1.815 1.00 0.00 H new ATOM 0 HG2 GLU A 61 6.684 0.158 -0.559 1.00 0.00 H new ATOM 0 HG3 GLU A 61 6.928 -1.250 0.455 1.00 0.00 H new ATOM 894 N LYS A 62 4.310 1.293 1.506 1.00 0.00 N ATOM 895 CA LYS A 62 4.537 2.711 1.759 1.00 0.00 C ATOM 896 C LYS A 62 5.865 3.165 1.163 1.00 0.00 C ATOM 897 O LYS A 62 6.934 2.747 1.611 1.00 0.00 O ATOM 898 CB LYS A 62 4.519 2.991 3.264 1.00 0.00 C ATOM 899 CG LYS A 62 4.449 4.469 3.607 1.00 0.00 C ATOM 900 CD LYS A 62 5.026 4.749 4.985 1.00 0.00 C ATOM 901 CE LYS A 62 4.000 4.504 6.080 1.00 0.00 C ATOM 902 NZ LYS A 62 3.169 5.711 6.342 1.00 0.00 N ATOM 0 H LYS A 62 4.039 0.756 2.330 1.00 0.00 H new ATOM 0 HA LYS A 62 3.734 3.272 1.281 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.664 2.482 3.709 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.415 2.564 3.715 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.995 5.043 2.859 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.412 4.803 3.571 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.896 4.114 5.152 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.371 5.782 5.033 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.354 3.674 5.793 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.511 4.209 6.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.830 5.692 7.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.741 6.566 6.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.355 5.719 5.695 1.00 0.00 H new ATOM 916 N LEU A 63 5.792 4.023 0.152 1.00 0.00 N ATOM 917 CA LEU A 63 6.990 4.536 -0.505 1.00 0.00 C ATOM 918 C LEU A 63 7.747 5.491 0.411 1.00 0.00 C ATOM 919 O LEU A 63 7.195 6.488 0.877 1.00 0.00 O ATOM 920 CB LEU A 63 6.617 5.247 -1.807 1.00 0.00 C ATOM 921 CG LEU A 63 6.078 4.357 -2.927 1.00 0.00 C ATOM 922 CD1 LEU A 63 5.521 5.204 -4.061 1.00 0.00 C ATOM 923 CD2 LEU A 63 7.167 3.426 -3.440 1.00 0.00 C ATOM 0 H LEU A 63 4.916 4.379 -0.231 1.00 0.00 H new ATOM 0 HA LEU A 63 7.639 3.691 -0.733 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.868 6.006 -1.581 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.499 5.769 -2.178 1.00 0.00 H new ATOM 0 HG LEU A 63 5.268 3.749 -2.523 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.142 4.553 -4.849 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.711 5.828 -3.685 1.00 0.00 H new ATOM 0 HD13 LEU A 63 6.311 5.838 -4.463 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.765 2.800 -4.237 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.998 4.016 -3.826 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.519 2.794 -2.625 1.00 0.00 H new