USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 656 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 81 THR OG1 : rot 9:sc= 0.667 USER MOD Set 1.2: A 83 THR OG1 : rot 180:sc= 0.00847 USER MOD Set 1.3: A 86 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 48 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 40 GLN : amide:sc= 0 X(o=-2.7,f=-2.8) USER MOD Set 3.2: A 41 ASN : amide:sc= -2.68! C(o=-2.7!,f=-6.4!) USER MOD Single : A 10 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0111) USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HE2:sc= -0.438 X(o=-0.44,f=-0.46) USER MOD Single : A 17 TYR OH : rot -48:sc= 0.433 USER MOD Single : A 18 THR OG1 : rot 8:sc= 0.0337 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -1.18! K(o=-1.2!,f=-0.077) USER MOD Single : A 27 HIS : no HD1:sc= -5.74! K(o=-5.7!,f=-2.9) USER MOD Single : A 28 TYR OH : rot -24:sc= 0.221 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot -9:sc= -0.0108 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0826 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= -0.614 K(o=-0.61,f=-5.3!) USER MOD Single : A 76 CYS SG : rot 180:sc= -0.638 USER MOD Single : A 84 MET CE :methyl 178:sc= -2.73 (180deg=-2.91) USER MOD Single : A 91 ASN : amide:sc= -2.51 X(o=-2.5,f=-3!) USER MOD Single : A 112 GLN : amide:sc= -0.393 K(o=-0.39,f=-1.2) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ 152:sc= -0.14 (180deg=-0.617) USER MOD Single : A 120 GLN : amide:sc= -0.288 X(o=-0.29,f=-0.36) USER MOD ----------------------------------------------------------------- ATOM 99 N LYS A 10 -3.576 2.931 7.912 1.00 0.00 N ATOM 100 CA LYS A 10 -3.544 1.489 7.698 1.00 0.00 C ATOM 101 C LYS A 10 -2.109 0.975 7.665 1.00 0.00 C ATOM 102 O LYS A 10 -1.236 1.585 7.049 1.00 0.00 O ATOM 103 CB LYS A 10 -4.256 1.131 6.392 1.00 0.00 C ATOM 104 CG LYS A 10 -4.543 -0.353 6.242 1.00 0.00 C ATOM 105 CD LYS A 10 -5.761 -0.601 5.369 1.00 0.00 C ATOM 106 CE LYS A 10 -6.151 -2.071 5.359 1.00 0.00 C ATOM 107 NZ LYS A 10 -6.831 -2.474 6.621 1.00 0.00 N ATOM 0 HA LYS A 10 -4.062 1.012 8.530 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.195 1.681 6.338 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.644 1.461 5.552 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.676 -0.850 5.807 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.704 -0.794 7.226 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.598 -0.004 5.732 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.553 -0.272 4.351 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.810 -2.266 4.513 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.260 -2.682 5.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.126 -3.469 6.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.175 -2.360 7.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.667 -1.875 6.771 1.00 0.00 H new ATOM 121 N GLU A 11 -1.873 -0.152 8.330 1.00 0.00 N ATOM 122 CA GLU A 11 -0.542 -0.748 8.374 1.00 0.00 C ATOM 123 C GLU A 11 -0.627 -2.271 8.350 1.00 0.00 C ATOM 124 O GLU A 11 -1.690 -2.848 8.574 1.00 0.00 O ATOM 125 CB GLU A 11 0.205 -0.287 9.628 1.00 0.00 C ATOM 126 CG GLU A 11 -0.532 -0.590 10.921 1.00 0.00 C ATOM 127 CD GLU A 11 -0.675 -2.077 11.177 1.00 0.00 C ATOM 128 OE1 GLU A 11 0.185 -2.846 10.699 1.00 0.00 O ATOM 129 OE2 GLU A 11 -1.646 -2.473 11.856 1.00 0.00 O ATOM 0 H GLU A 11 -2.585 -0.670 8.845 1.00 0.00 H new ATOM 0 HA GLU A 11 0.006 -0.418 7.491 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.183 -0.768 9.656 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.380 0.787 9.562 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.001 -0.131 11.754 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.522 -0.135 10.886 1.00 0.00 H new ATOM 136 N GLY A 12 0.503 -2.917 8.077 1.00 0.00 N ATOM 137 CA GLY A 12 0.535 -4.367 8.027 1.00 0.00 C ATOM 138 C GLY A 12 1.439 -4.889 6.928 1.00 0.00 C ATOM 139 O GLY A 12 1.785 -4.158 6.000 1.00 0.00 O ATOM 0 H GLY A 12 1.396 -2.462 7.890 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.876 -4.753 8.988 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.476 -4.745 7.872 1.00 0.00 H new ATOM 143 N TRP A 13 1.823 -6.156 7.034 1.00 0.00 N ATOM 144 CA TRP A 13 2.694 -6.775 6.041 1.00 0.00 C ATOM 145 C TRP A 13 1.920 -7.113 4.772 1.00 0.00 C ATOM 146 O TRP A 13 0.851 -7.720 4.829 1.00 0.00 O ATOM 147 CB TRP A 13 3.335 -8.041 6.613 1.00 0.00 C ATOM 148 CG TRP A 13 4.325 -7.764 7.704 1.00 0.00 C ATOM 149 CD1 TRP A 13 4.047 -7.381 8.985 1.00 0.00 C ATOM 150 CD2 TRP A 13 5.751 -7.846 7.608 1.00 0.00 C ATOM 151 NE1 TRP A 13 5.215 -7.221 9.692 1.00 0.00 N ATOM 152 CE2 TRP A 13 6.274 -7.501 8.870 1.00 0.00 C ATOM 153 CE3 TRP A 13 6.637 -8.179 6.580 1.00 0.00 C ATOM 154 CZ2 TRP A 13 7.642 -7.479 9.128 1.00 0.00 C ATOM 155 CZ3 TRP A 13 7.995 -8.157 6.838 1.00 0.00 C ATOM 156 CH2 TRP A 13 8.487 -7.809 8.103 1.00 0.00 C ATOM 0 H TRP A 13 1.546 -6.774 7.796 1.00 0.00 H new ATOM 0 HA TRP A 13 3.478 -6.061 5.787 1.00 0.00 H new ATOM 0 HB2 TRP A 13 2.552 -8.693 7.000 1.00 0.00 H new ATOM 0 HB3 TRP A 13 3.833 -8.583 5.809 1.00 0.00 H new ATOM 0 HD1 TRP A 13 3.055 -7.227 9.384 1.00 0.00 H new ATOM 0 HE1 TRP A 13 5.282 -6.939 10.670 1.00 0.00 H new ATOM 0 HE3 TRP A 13 6.268 -8.449 5.602 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 8.023 -7.211 10.102 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 8.689 -8.413 6.051 1.00 0.00 H new ATOM 0 HH2 TRP A 13 9.554 -7.801 8.273 1.00 0.00 H new ATOM 167 N MET A 14 2.466 -6.715 3.627 1.00 0.00 N ATOM 168 CA MET A 14 1.825 -6.977 2.343 1.00 0.00 C ATOM 169 C MET A 14 2.847 -7.444 1.311 1.00 0.00 C ATOM 170 O MET A 14 4.043 -7.187 1.447 1.00 0.00 O ATOM 171 CB MET A 14 1.111 -5.722 1.840 1.00 0.00 C ATOM 172 CG MET A 14 0.188 -5.980 0.660 1.00 0.00 C ATOM 173 SD MET A 14 -1.046 -7.248 1.008 1.00 0.00 S ATOM 174 CE MET A 14 -2.465 -6.237 1.420 1.00 0.00 C ATOM 0 H MET A 14 3.350 -6.210 3.562 1.00 0.00 H new ATOM 0 HA MET A 14 1.091 -7.770 2.486 1.00 0.00 H new ATOM 0 HB2 MET A 14 0.532 -5.292 2.657 1.00 0.00 H new ATOM 0 HB3 MET A 14 1.856 -4.980 1.553 1.00 0.00 H new ATOM 0 HG2 MET A 14 -0.316 -5.053 0.389 1.00 0.00 H new ATOM 0 HG3 MET A 14 0.782 -6.284 -0.202 1.00 0.00 H new ATOM 0 HE1 MET A 14 -3.312 -6.880 1.660 1.00 0.00 H new ATOM 0 HE2 MET A 14 -2.229 -5.612 2.281 1.00 0.00 H new ATOM 0 HE3 MET A 14 -2.719 -5.603 0.570 1.00 0.00 H new ATOM 184 N VAL A 15 2.368 -8.131 0.280 1.00 0.00 N ATOM 185 CA VAL A 15 3.239 -8.633 -0.776 1.00 0.00 C ATOM 186 C VAL A 15 2.980 -7.910 -2.093 1.00 0.00 C ATOM 187 O VAL A 15 1.844 -7.551 -2.403 1.00 0.00 O ATOM 188 CB VAL A 15 3.050 -10.147 -0.988 1.00 0.00 C ATOM 189 CG1 VAL A 15 3.302 -10.904 0.306 1.00 0.00 C ATOM 190 CG2 VAL A 15 1.655 -10.439 -1.523 1.00 0.00 C ATOM 0 H VAL A 15 1.381 -8.353 0.153 1.00 0.00 H new ATOM 0 HA VAL A 15 4.264 -8.444 -0.457 1.00 0.00 H new ATOM 0 HB VAL A 15 3.777 -10.486 -1.726 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.164 -11.972 0.136 1.00 0.00 H new ATOM 0 HG12 VAL A 15 4.322 -10.719 0.643 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.601 -10.564 1.069 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.538 -11.513 -1.667 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.910 -10.085 -0.810 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.516 -9.928 -2.476 1.00 0.00 H new ATOM 200 N HIS A 16 4.042 -7.699 -2.864 1.00 0.00 N ATOM 201 CA HIS A 16 3.930 -7.019 -4.150 1.00 0.00 C ATOM 202 C HIS A 16 5.059 -7.438 -5.087 1.00 0.00 C ATOM 203 O HIS A 16 6.105 -7.911 -4.642 1.00 0.00 O ATOM 204 CB HIS A 16 3.951 -5.503 -3.952 1.00 0.00 C ATOM 205 CG HIS A 16 5.330 -4.917 -3.964 1.00 0.00 C ATOM 206 ND1 HIS A 16 6.304 -5.265 -3.053 1.00 0.00 N ATOM 207 CD2 HIS A 16 5.896 -4.002 -4.786 1.00 0.00 C ATOM 208 CE1 HIS A 16 7.409 -4.589 -3.312 1.00 0.00 C ATOM 209 NE2 HIS A 16 7.187 -3.815 -4.359 1.00 0.00 N ATOM 0 H HIS A 16 4.989 -7.989 -2.621 1.00 0.00 H new ATOM 0 HA HIS A 16 2.981 -7.306 -4.603 1.00 0.00 H new ATOM 0 HB2 HIS A 16 3.359 -5.034 -4.738 1.00 0.00 H new ATOM 0 HB3 HIS A 16 3.471 -5.262 -3.004 1.00 0.00 H new ATOM 0 HD1 HIS A 16 6.189 -5.940 -2.297 1.00 0.00 H new ATOM 0 HD2 HIS A 16 5.420 -3.511 -5.622 1.00 0.00 H new ATOM 0 HE1 HIS A 16 8.336 -4.658 -2.762 1.00 0.00 H new ATOM 218 N TYR A 17 4.840 -7.261 -6.385 1.00 0.00 N ATOM 219 CA TYR A 17 5.838 -7.624 -7.384 1.00 0.00 C ATOM 220 C TYR A 17 5.982 -6.526 -8.434 1.00 0.00 C ATOM 221 O TYR A 17 5.009 -5.860 -8.792 1.00 0.00 O ATOM 222 CB TYR A 17 5.458 -8.943 -8.059 1.00 0.00 C ATOM 223 CG TYR A 17 4.261 -8.831 -8.976 1.00 0.00 C ATOM 224 CD1 TYR A 17 4.387 -8.301 -10.254 1.00 0.00 C ATOM 225 CD2 TYR A 17 3.004 -9.258 -8.565 1.00 0.00 C ATOM 226 CE1 TYR A 17 3.296 -8.196 -11.095 1.00 0.00 C ATOM 227 CE2 TYR A 17 1.907 -9.158 -9.399 1.00 0.00 C ATOM 228 CZ TYR A 17 2.058 -8.627 -10.663 1.00 0.00 C ATOM 229 OH TYR A 17 0.969 -8.526 -11.498 1.00 0.00 O ATOM 0 H TYR A 17 3.981 -6.869 -6.770 1.00 0.00 H new ATOM 0 HA TYR A 17 6.795 -7.745 -6.877 1.00 0.00 H new ATOM 0 HB2 TYR A 17 6.311 -9.307 -8.632 1.00 0.00 H new ATOM 0 HB3 TYR A 17 5.248 -9.687 -7.291 1.00 0.00 H new ATOM 0 HD1 TYR A 17 5.355 -7.965 -10.596 1.00 0.00 H new ATOM 0 HD2 TYR A 17 2.882 -9.675 -7.576 1.00 0.00 H new ATOM 0 HE1 TYR A 17 3.411 -7.779 -12.085 1.00 0.00 H new ATOM 0 HE2 TYR A 17 0.937 -9.494 -9.063 1.00 0.00 H new ATOM 0 HH TYR A 17 0.941 -7.629 -11.892 1.00 0.00 H new ATOM 239 N THR A 18 7.203 -6.342 -8.925 1.00 0.00 N ATOM 240 CA THR A 18 7.477 -5.325 -9.933 1.00 0.00 C ATOM 241 C THR A 18 7.451 -5.921 -11.335 1.00 0.00 C ATOM 242 O THR A 18 7.575 -7.133 -11.508 1.00 0.00 O ATOM 243 CB THR A 18 8.844 -4.655 -9.697 1.00 0.00 C ATOM 244 OG1 THR A 18 9.875 -5.647 -9.654 1.00 0.00 O ATOM 245 CG2 THR A 18 8.841 -3.862 -8.399 1.00 0.00 C ATOM 0 H THR A 18 8.019 -6.884 -8.641 1.00 0.00 H new ATOM 0 HA THR A 18 6.692 -4.573 -9.846 1.00 0.00 H new ATOM 0 HB THR A 18 9.035 -3.969 -10.522 1.00 0.00 H new ATOM 0 HG1 THR A 18 9.504 -6.516 -9.915 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.817 -3.398 -8.254 1.00 0.00 H new ATOM 0 HG22 THR A 18 8.075 -3.088 -8.447 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.629 -4.531 -7.565 1.00 0.00 H new ATOM 253 N SER A 19 7.289 -5.060 -12.336 1.00 0.00 N ATOM 254 CA SER A 19 7.244 -5.503 -13.725 1.00 0.00 C ATOM 255 C SER A 19 8.520 -6.250 -14.099 1.00 0.00 C ATOM 256 O SER A 19 8.497 -7.455 -14.349 1.00 0.00 O ATOM 257 CB SER A 19 7.048 -4.306 -14.657 1.00 0.00 C ATOM 258 OG SER A 19 7.054 -4.710 -16.015 1.00 0.00 O ATOM 0 H SER A 19 7.187 -4.053 -12.211 1.00 0.00 H new ATOM 0 HA SER A 19 6.400 -6.184 -13.837 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.104 -3.812 -14.426 1.00 0.00 H new ATOM 0 HB3 SER A 19 7.840 -3.576 -14.488 1.00 0.00 H new ATOM 0 HG SER A 19 6.925 -3.927 -16.590 1.00 0.00 H new ATOM 264 N ARG A 20 9.634 -5.525 -14.135 1.00 0.00 N ATOM 265 CA ARG A 20 10.920 -6.117 -14.480 1.00 0.00 C ATOM 266 C ARG A 20 11.253 -7.277 -13.546 1.00 0.00 C ATOM 267 O ARG A 20 11.512 -8.394 -13.995 1.00 0.00 O ATOM 268 CB ARG A 20 12.026 -5.062 -14.413 1.00 0.00 C ATOM 269 CG ARG A 20 12.133 -4.376 -13.061 1.00 0.00 C ATOM 270 CD ARG A 20 12.770 -3.001 -13.182 1.00 0.00 C ATOM 271 NE ARG A 20 14.220 -3.053 -13.014 1.00 0.00 N ATOM 272 CZ ARG A 20 14.957 -2.006 -12.662 1.00 0.00 C ATOM 273 NH1 ARG A 20 14.383 -0.831 -12.442 1.00 0.00 N ATOM 274 NH2 ARG A 20 16.271 -2.132 -12.529 1.00 0.00 N ATOM 0 H ARG A 20 9.671 -4.527 -13.929 1.00 0.00 H new ATOM 0 HA ARG A 20 10.853 -6.500 -15.498 1.00 0.00 H new ATOM 0 HB2 ARG A 20 12.980 -5.533 -14.648 1.00 0.00 H new ATOM 0 HB3 ARG A 20 11.845 -4.309 -15.180 1.00 0.00 H new ATOM 0 HG2 ARG A 20 11.140 -4.281 -12.621 1.00 0.00 H new ATOM 0 HG3 ARG A 20 12.724 -4.993 -12.384 1.00 0.00 H new ATOM 0 HD2 ARG A 20 12.533 -2.576 -14.157 1.00 0.00 H new ATOM 0 HD3 ARG A 20 12.342 -2.336 -12.432 1.00 0.00 H new ATOM 0 HE ARG A 20 14.692 -3.942 -13.176 1.00 0.00 H new ATOM 0 HH11 ARG A 20 13.373 -0.730 -12.543 1.00 0.00 H new ATOM 0 HH12 ARG A 20 14.951 -0.028 -12.172 1.00 0.00 H new ATOM 0 HH21 ARG A 20 16.716 -3.034 -12.697 1.00 0.00 H new ATOM 0 HH22 ARG A 20 16.836 -1.327 -12.259 1.00 0.00 H new ATOM 288 N ASP A 21 11.243 -7.005 -12.246 1.00 0.00 N ATOM 289 CA ASP A 21 11.542 -8.025 -11.248 1.00 0.00 C ATOM 290 C ASP A 21 10.263 -8.692 -10.752 1.00 0.00 C ATOM 291 O ASP A 21 9.560 -8.151 -9.899 1.00 0.00 O ATOM 292 CB ASP A 21 12.302 -7.411 -10.071 1.00 0.00 C ATOM 293 CG ASP A 21 13.240 -8.400 -9.408 1.00 0.00 C ATOM 294 OD1 ASP A 21 12.745 -9.318 -8.722 1.00 0.00 O ATOM 295 OD2 ASP A 21 14.469 -8.256 -9.575 1.00 0.00 O ATOM 0 H ASP A 21 11.031 -6.086 -11.858 1.00 0.00 H new ATOM 0 HA ASP A 21 12.168 -8.784 -11.717 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.873 -6.551 -10.420 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.588 -7.042 -9.334 1.00 0.00 H new ATOM 300 N ASN A 22 9.967 -9.870 -11.292 1.00 0.00 N ATOM 301 CA ASN A 22 8.771 -10.609 -10.906 1.00 0.00 C ATOM 302 C ASN A 22 8.848 -11.042 -9.444 1.00 0.00 C ATOM 303 O ASN A 22 7.862 -10.966 -8.710 1.00 0.00 O ATOM 304 CB ASN A 22 8.592 -11.836 -11.803 1.00 0.00 C ATOM 305 CG ASN A 22 9.885 -12.606 -11.993 1.00 0.00 C ATOM 306 OD1 ASN A 22 10.171 -13.551 -11.258 1.00 0.00 O ATOM 307 ND2 ASN A 22 10.672 -12.205 -12.985 1.00 0.00 N ATOM 0 H ASN A 22 10.539 -10.333 -11.998 1.00 0.00 H new ATOM 0 HA ASN A 22 7.912 -9.950 -11.028 1.00 0.00 H new ATOM 0 HB2 ASN A 22 7.841 -12.495 -11.368 1.00 0.00 H new ATOM 0 HB3 ASN A 22 8.214 -11.520 -12.775 1.00 0.00 H new ATOM 0 HD21 ASN A 22 11.554 -12.686 -13.163 1.00 0.00 H new ATOM 0 HD22 ASN A 22 10.394 -11.416 -13.569 1.00 0.00 H new ATOM 314 N LEU A 23 10.025 -11.495 -9.028 1.00 0.00 N ATOM 315 CA LEU A 23 10.232 -11.939 -7.654 1.00 0.00 C ATOM 316 C LEU A 23 9.465 -11.056 -6.675 1.00 0.00 C ATOM 317 O LEU A 23 9.902 -9.953 -6.345 1.00 0.00 O ATOM 318 CB LEU A 23 11.723 -11.924 -7.312 1.00 0.00 C ATOM 319 CG LEU A 23 12.102 -12.489 -5.942 1.00 0.00 C ATOM 320 CD1 LEU A 23 12.276 -13.998 -6.017 1.00 0.00 C ATOM 321 CD2 LEU A 23 13.372 -11.829 -5.426 1.00 0.00 C ATOM 0 H LEU A 23 10.851 -11.565 -9.622 1.00 0.00 H new ATOM 0 HA LEU A 23 9.856 -12.958 -7.567 1.00 0.00 H new ATOM 0 HB2 LEU A 23 12.257 -12.489 -8.076 1.00 0.00 H new ATOM 0 HB3 LEU A 23 12.078 -10.895 -7.370 1.00 0.00 H new ATOM 0 HG LEU A 23 11.294 -12.271 -5.244 1.00 0.00 H new ATOM 0 HD11 LEU A 23 12.545 -14.383 -5.033 1.00 0.00 H new ATOM 0 HD12 LEU A 23 11.342 -14.456 -6.342 1.00 0.00 H new ATOM 0 HD13 LEU A 23 13.065 -14.238 -6.729 1.00 0.00 H new ATOM 0 HD21 LEU A 23 13.627 -12.243 -4.450 1.00 0.00 H new ATOM 0 HD22 LEU A 23 14.188 -12.016 -6.124 1.00 0.00 H new ATOM 0 HD23 LEU A 23 13.212 -10.755 -5.334 1.00 0.00 H new ATOM 333 N ARG A 24 8.321 -11.549 -6.213 1.00 0.00 N ATOM 334 CA ARG A 24 7.494 -10.805 -5.271 1.00 0.00 C ATOM 335 C ARG A 24 8.314 -10.353 -4.066 1.00 0.00 C ATOM 336 O ARG A 24 9.443 -10.800 -3.867 1.00 0.00 O ATOM 337 CB ARG A 24 6.315 -11.662 -4.806 1.00 0.00 C ATOM 338 CG ARG A 24 5.124 -10.851 -4.323 1.00 0.00 C ATOM 339 CD ARG A 24 3.862 -11.696 -4.262 1.00 0.00 C ATOM 340 NE ARG A 24 3.279 -11.906 -5.585 1.00 0.00 N ATOM 341 CZ ARG A 24 2.450 -12.903 -5.873 1.00 0.00 C ATOM 342 NH1 ARG A 24 2.108 -13.777 -4.937 1.00 0.00 N ATOM 343 NH2 ARG A 24 1.962 -13.027 -7.100 1.00 0.00 N ATOM 0 H ARG A 24 7.946 -12.460 -6.476 1.00 0.00 H new ATOM 0 HA ARG A 24 7.113 -9.921 -5.782 1.00 0.00 H new ATOM 0 HB2 ARG A 24 5.997 -12.304 -5.628 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.648 -12.317 -4.001 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.337 -10.442 -3.335 1.00 0.00 H new ATOM 0 HG3 ARG A 24 4.964 -10.004 -4.991 1.00 0.00 H new ATOM 0 HD2 ARG A 24 4.093 -12.661 -3.811 1.00 0.00 H new ATOM 0 HD3 ARG A 24 3.131 -11.209 -3.617 1.00 0.00 H new ATOM 0 HE ARG A 24 3.522 -11.251 -6.328 1.00 0.00 H new ATOM 0 HH11 ARG A 24 2.482 -13.685 -3.992 1.00 0.00 H new ATOM 0 HH12 ARG A 24 1.471 -14.542 -5.161 1.00 0.00 H new ATOM 0 HH21 ARG A 24 2.223 -12.357 -7.823 1.00 0.00 H new ATOM 0 HH22 ARG A 24 1.325 -13.793 -7.321 1.00 0.00 H new ATOM 357 N LYS A 25 7.738 -9.463 -3.265 1.00 0.00 N ATOM 358 CA LYS A 25 8.414 -8.950 -2.079 1.00 0.00 C ATOM 359 C LYS A 25 7.409 -8.621 -0.980 1.00 0.00 C ATOM 360 O LYS A 25 6.420 -7.927 -1.218 1.00 0.00 O ATOM 361 CB LYS A 25 9.229 -7.704 -2.430 1.00 0.00 C ATOM 362 CG LYS A 25 10.136 -7.890 -3.634 1.00 0.00 C ATOM 363 CD LYS A 25 10.898 -6.616 -3.960 1.00 0.00 C ATOM 364 CE LYS A 25 12.193 -6.524 -3.168 1.00 0.00 C ATOM 365 NZ LYS A 25 13.242 -5.767 -3.906 1.00 0.00 N ATOM 0 H LYS A 25 6.804 -9.082 -3.416 1.00 0.00 H new ATOM 0 HA LYS A 25 9.087 -9.724 -1.711 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.547 -6.876 -2.624 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.835 -7.422 -1.569 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.842 -8.697 -3.438 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.541 -8.190 -4.496 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.120 -6.586 -5.027 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.273 -5.750 -3.740 1.00 0.00 H new ATOM 0 HE2 LYS A 25 12.000 -6.038 -2.211 1.00 0.00 H new ATOM 0 HE3 LYS A 25 12.556 -7.528 -2.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 14.109 -5.727 -3.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.445 -6.244 -4.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 12.906 -4.801 -4.094 1.00 0.00 H new ATOM 379 N ARG A 26 7.669 -9.121 0.223 1.00 0.00 N ATOM 380 CA ARG A 26 6.787 -8.879 1.359 1.00 0.00 C ATOM 381 C ARG A 26 7.466 -7.986 2.394 1.00 0.00 C ATOM 382 O ARG A 26 8.539 -8.312 2.903 1.00 0.00 O ATOM 383 CB ARG A 26 6.376 -10.203 2.004 1.00 0.00 C ATOM 384 CG ARG A 26 5.321 -10.051 3.088 1.00 0.00 C ATOM 385 CD ARG A 26 4.637 -11.376 3.389 1.00 0.00 C ATOM 386 NE ARG A 26 3.948 -11.355 4.677 1.00 0.00 N ATOM 387 CZ ARG A 26 3.128 -12.317 5.087 1.00 0.00 C ATOM 388 NH1 ARG A 26 2.896 -13.369 4.314 1.00 0.00 N ATOM 389 NH2 ARG A 26 2.539 -12.227 6.272 1.00 0.00 N ATOM 0 H ARG A 26 8.484 -9.697 0.437 1.00 0.00 H new ATOM 0 HA ARG A 26 5.896 -8.369 0.993 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.997 -10.872 1.231 1.00 0.00 H new ATOM 0 HB3 ARG A 26 7.259 -10.678 2.432 1.00 0.00 H new ATOM 0 HG2 ARG A 26 5.784 -9.665 3.996 1.00 0.00 H new ATOM 0 HG3 ARG A 26 4.577 -9.319 2.773 1.00 0.00 H new ATOM 0 HD2 ARG A 26 3.921 -11.603 2.599 1.00 0.00 H new ATOM 0 HD3 ARG A 26 5.378 -12.175 3.387 1.00 0.00 H new ATOM 0 HE ARG A 26 4.105 -10.559 5.295 1.00 0.00 H new ATOM 0 HH11 ARG A 26 3.347 -13.441 3.402 1.00 0.00 H new ATOM 0 HH12 ARG A 26 2.266 -14.106 4.631 1.00 0.00 H new ATOM 0 HH21 ARG A 26 2.715 -11.419 6.869 1.00 0.00 H new ATOM 0 HH22 ARG A 26 1.910 -12.966 6.586 1.00 0.00 H new ATOM 403 N HIS A 27 6.833 -6.857 2.700 1.00 0.00 N ATOM 404 CA HIS A 27 7.376 -5.917 3.674 1.00 0.00 C ATOM 405 C HIS A 27 6.256 -5.247 4.464 1.00 0.00 C ATOM 406 O HIS A 27 5.094 -5.276 4.059 1.00 0.00 O ATOM 407 CB HIS A 27 8.226 -4.857 2.973 1.00 0.00 C ATOM 408 CG HIS A 27 9.161 -5.422 1.948 1.00 0.00 C ATOM 409 ND1 HIS A 27 9.203 -4.980 0.643 1.00 0.00 N ATOM 410 CD2 HIS A 27 10.095 -6.397 2.043 1.00 0.00 C ATOM 411 CE1 HIS A 27 10.120 -5.660 -0.021 1.00 0.00 C ATOM 412 NE2 HIS A 27 10.677 -6.526 0.806 1.00 0.00 N ATOM 0 H HIS A 27 5.945 -6.572 2.288 1.00 0.00 H new ATOM 0 HA HIS A 27 8.005 -6.474 4.369 1.00 0.00 H new ATOM 0 HB2 HIS A 27 7.567 -4.134 2.493 1.00 0.00 H new ATOM 0 HB3 HIS A 27 8.804 -4.314 3.720 1.00 0.00 H new ATOM 0 HD2 HIS A 27 10.337 -6.968 2.927 1.00 0.00 H new ATOM 0 HE1 HIS A 27 10.372 -5.530 -1.063 1.00 0.00 H new ATOM 0 HE2 HIS A 27 11.419 -7.184 0.565 1.00 0.00 H new ATOM 421 N TYR A 28 6.614 -4.644 5.593 1.00 0.00 N ATOM 422 CA TYR A 28 5.639 -3.969 6.441 1.00 0.00 C ATOM 423 C TYR A 28 5.216 -2.636 5.831 1.00 0.00 C ATOM 424 O TYR A 28 5.931 -1.640 5.935 1.00 0.00 O ATOM 425 CB TYR A 28 6.217 -3.743 7.839 1.00 0.00 C ATOM 426 CG TYR A 28 5.224 -3.159 8.818 1.00 0.00 C ATOM 427 CD1 TYR A 28 4.361 -3.979 9.534 1.00 0.00 C ATOM 428 CD2 TYR A 28 5.150 -1.787 9.028 1.00 0.00 C ATOM 429 CE1 TYR A 28 3.451 -3.449 10.429 1.00 0.00 C ATOM 430 CE2 TYR A 28 4.245 -1.249 9.922 1.00 0.00 C ATOM 431 CZ TYR A 28 3.398 -2.084 10.620 1.00 0.00 C ATOM 432 OH TYR A 28 2.494 -1.553 11.512 1.00 0.00 O ATOM 0 H TYR A 28 7.572 -4.609 5.942 1.00 0.00 H new ATOM 0 HA TYR A 28 4.759 -4.608 6.518 1.00 0.00 H new ATOM 0 HB2 TYR A 28 6.584 -4.692 8.229 1.00 0.00 H new ATOM 0 HB3 TYR A 28 7.076 -3.076 7.764 1.00 0.00 H new ATOM 0 HD1 TYR A 28 4.402 -5.048 9.389 1.00 0.00 H new ATOM 0 HD2 TYR A 28 5.812 -1.130 8.483 1.00 0.00 H new ATOM 0 HE1 TYR A 28 2.785 -4.100 10.976 1.00 0.00 H new ATOM 0 HE2 TYR A 28 4.201 -0.181 10.074 1.00 0.00 H new ATOM 0 HH TYR A 28 1.744 -2.174 11.627 1.00 0.00 H new ATOM 442 N TRP A 29 4.049 -2.627 5.197 1.00 0.00 N ATOM 443 CA TRP A 29 3.530 -1.417 4.570 1.00 0.00 C ATOM 444 C TRP A 29 2.866 -0.512 5.602 1.00 0.00 C ATOM 445 O TRP A 29 2.203 -0.988 6.524 1.00 0.00 O ATOM 446 CB TRP A 29 2.530 -1.776 3.470 1.00 0.00 C ATOM 447 CG TRP A 29 3.183 -2.174 2.181 1.00 0.00 C ATOM 448 CD1 TRP A 29 4.354 -2.861 2.033 1.00 0.00 C ATOM 449 CD2 TRP A 29 2.703 -1.905 0.859 1.00 0.00 C ATOM 450 NE1 TRP A 29 4.630 -3.036 0.698 1.00 0.00 N ATOM 451 CE2 TRP A 29 3.633 -2.460 -0.042 1.00 0.00 C ATOM 452 CE3 TRP A 29 1.578 -1.253 0.349 1.00 0.00 C ATOM 453 CZ2 TRP A 29 3.470 -2.379 -1.423 1.00 0.00 C ATOM 454 CZ3 TRP A 29 1.418 -1.173 -1.021 1.00 0.00 C ATOM 455 CH2 TRP A 29 2.359 -1.735 -1.895 1.00 0.00 C ATOM 0 H TRP A 29 3.445 -3.443 5.104 1.00 0.00 H new ATOM 0 HA TRP A 29 4.368 -0.879 4.127 1.00 0.00 H new ATOM 0 HB2 TRP A 29 1.898 -2.594 3.816 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.877 -0.922 3.290 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.972 -3.215 2.845 1.00 0.00 H new ATOM 0 HE1 TRP A 29 5.446 -3.517 0.320 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.846 -0.819 1.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 4.195 -2.810 -2.098 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.553 -0.669 -1.426 1.00 0.00 H new ATOM 0 HH2 TRP A 29 2.204 -1.658 -2.961 1.00 0.00 H new ATOM 466 N ARG A 30 3.047 0.795 5.441 1.00 0.00 N ATOM 467 CA ARG A 30 2.465 1.766 6.360 1.00 0.00 C ATOM 468 C ARG A 30 1.880 2.952 5.599 1.00 0.00 C ATOM 469 O ARG A 30 2.551 3.559 4.763 1.00 0.00 O ATOM 470 CB ARG A 30 3.520 2.254 7.354 1.00 0.00 C ATOM 471 CG ARG A 30 2.934 2.794 8.648 1.00 0.00 C ATOM 472 CD ARG A 30 4.024 3.203 9.626 1.00 0.00 C ATOM 473 NE ARG A 30 3.558 3.172 11.010 1.00 0.00 N ATOM 474 CZ ARG A 30 4.244 3.680 12.028 1.00 0.00 C ATOM 475 NH1 ARG A 30 5.420 4.256 11.818 1.00 0.00 N ATOM 476 NH2 ARG A 30 3.754 3.613 13.259 1.00 0.00 N ATOM 0 H ARG A 30 3.592 1.206 4.683 1.00 0.00 H new ATOM 0 HA ARG A 30 1.660 1.275 6.907 1.00 0.00 H new ATOM 0 HB2 ARG A 30 4.196 1.431 7.587 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.118 3.034 6.883 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.298 3.652 8.430 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.299 2.035 9.106 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.879 2.535 9.516 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.371 4.207 9.383 1.00 0.00 H new ATOM 0 HE ARG A 30 2.657 2.737 11.206 1.00 0.00 H new ATOM 0 HH11 ARG A 30 5.800 4.310 10.873 1.00 0.00 H new ATOM 0 HH12 ARG A 30 5.944 4.645 12.602 1.00 0.00 H new ATOM 0 HH21 ARG A 30 2.850 3.171 13.425 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.282 4.003 14.040 1.00 0.00 H new ATOM 490 N LEU A 31 0.626 3.276 5.893 1.00 0.00 N ATOM 491 CA LEU A 31 -0.051 4.389 5.236 1.00 0.00 C ATOM 492 C LEU A 31 -0.641 5.350 6.263 1.00 0.00 C ATOM 493 O LEU A 31 -1.197 4.925 7.277 1.00 0.00 O ATOM 494 CB LEU A 31 -1.154 3.869 4.314 1.00 0.00 C ATOM 495 CG LEU A 31 -2.006 4.932 3.619 1.00 0.00 C ATOM 496 CD1 LEU A 31 -1.213 5.611 2.513 1.00 0.00 C ATOM 497 CD2 LEU A 31 -3.280 4.315 3.062 1.00 0.00 C ATOM 0 H LEU A 31 0.057 2.784 6.582 1.00 0.00 H new ATOM 0 HA LEU A 31 0.685 4.929 4.641 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.695 3.243 3.549 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.814 3.227 4.897 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.284 5.686 4.355 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.835 6.364 2.029 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.330 6.088 2.939 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.905 4.868 1.777 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.873 5.086 2.571 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.023 3.540 2.340 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.857 3.876 3.876 1.00 0.00 H new ATOM 509 N ASP A 32 -0.519 6.645 5.994 1.00 0.00 N ATOM 510 CA ASP A 32 -1.044 7.666 6.893 1.00 0.00 C ATOM 511 C ASP A 32 -1.712 8.790 6.107 1.00 0.00 C ATOM 512 O ASP A 32 -1.847 8.712 4.886 1.00 0.00 O ATOM 513 CB ASP A 32 0.077 8.232 7.765 1.00 0.00 C ATOM 514 CG ASP A 32 -0.444 8.854 9.046 1.00 0.00 C ATOM 515 OD1 ASP A 32 -1.199 8.173 9.771 1.00 0.00 O ATOM 516 OD2 ASP A 32 -0.098 10.022 9.323 1.00 0.00 O ATOM 0 H ASP A 32 -0.061 7.013 5.160 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.793 7.201 7.534 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.780 7.436 8.011 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.630 8.982 7.199 1.00 0.00 H new ATOM 521 N SER A 33 -2.128 9.834 6.816 1.00 0.00 N ATOM 522 CA SER A 33 -2.786 10.973 6.186 1.00 0.00 C ATOM 523 C SER A 33 -1.772 11.859 5.470 1.00 0.00 C ATOM 524 O SER A 33 -2.125 12.891 4.899 1.00 0.00 O ATOM 525 CB SER A 33 -3.547 11.791 7.231 1.00 0.00 C ATOM 526 OG SER A 33 -4.593 11.031 7.812 1.00 0.00 O ATOM 0 H SER A 33 -2.021 9.915 7.827 1.00 0.00 H new ATOM 0 HA SER A 33 -3.492 10.591 5.449 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.859 12.123 8.009 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.959 12.687 6.766 1.00 0.00 H new ATOM 0 HG SER A 33 -5.063 11.576 8.478 1.00 0.00 H new ATOM 532 N LYS A 34 -0.509 11.448 5.505 1.00 0.00 N ATOM 533 CA LYS A 34 0.559 12.202 4.859 1.00 0.00 C ATOM 534 C LYS A 34 1.015 11.511 3.577 1.00 0.00 C ATOM 535 O LYS A 34 0.704 11.962 2.474 1.00 0.00 O ATOM 536 CB LYS A 34 1.745 12.365 5.812 1.00 0.00 C ATOM 537 CG LYS A 34 1.406 13.128 7.080 1.00 0.00 C ATOM 538 CD LYS A 34 2.628 13.310 7.966 1.00 0.00 C ATOM 539 CE LYS A 34 3.567 14.369 7.410 1.00 0.00 C ATOM 540 NZ LYS A 34 4.872 14.386 8.128 1.00 0.00 N ATOM 0 H LYS A 34 -0.200 10.597 5.974 1.00 0.00 H new ATOM 0 HA LYS A 34 0.169 13.187 4.601 1.00 0.00 H new ATOM 0 HB2 LYS A 34 2.122 11.378 6.082 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.550 12.883 5.291 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.996 14.104 6.820 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.632 12.594 7.631 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.312 13.594 8.970 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.159 12.362 8.055 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.738 14.182 6.350 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.096 15.349 7.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 5.484 15.121 7.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 4.711 14.590 9.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 5.333 13.459 8.032 1.00 0.00 H new ATOM 554 N CYS A 35 1.749 10.415 3.731 1.00 0.00 N ATOM 555 CA CYS A 35 2.246 9.662 2.585 1.00 0.00 C ATOM 556 C CYS A 35 2.498 8.205 2.960 1.00 0.00 C ATOM 557 O CYS A 35 2.600 7.865 4.139 1.00 0.00 O ATOM 558 CB CYS A 35 3.533 10.293 2.052 1.00 0.00 C ATOM 559 SG CYS A 35 3.375 12.043 1.624 1.00 0.00 S ATOM 0 H CYS A 35 2.013 10.028 4.637 1.00 0.00 H new ATOM 0 HA CYS A 35 1.485 9.692 1.805 1.00 0.00 H new ATOM 0 HB2 CYS A 35 4.317 10.183 2.802 1.00 0.00 H new ATOM 0 HB3 CYS A 35 3.857 9.742 1.169 1.00 0.00 H new ATOM 0 HG CYS A 35 2.124 12.393 1.684 1.00 0.00 H new ATOM 565 N LEU A 36 2.594 7.348 1.950 1.00 0.00 N ATOM 566 CA LEU A 36 2.832 5.926 2.173 1.00 0.00 C ATOM 567 C LEU A 36 4.322 5.642 2.335 1.00 0.00 C ATOM 568 O LEU A 36 5.160 6.281 1.698 1.00 0.00 O ATOM 569 CB LEU A 36 2.268 5.106 1.011 1.00 0.00 C ATOM 570 CG LEU A 36 2.318 3.586 1.175 1.00 0.00 C ATOM 571 CD1 LEU A 36 1.303 3.127 2.211 1.00 0.00 C ATOM 572 CD2 LEU A 36 2.071 2.897 -0.159 1.00 0.00 C ATOM 0 H LEU A 36 2.511 7.613 0.968 1.00 0.00 H new ATOM 0 HA LEU A 36 2.324 5.638 3.093 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.230 5.401 0.855 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.814 5.372 0.106 1.00 0.00 H new ATOM 0 HG LEU A 36 3.313 3.310 1.525 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.353 2.043 2.314 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.526 3.593 3.171 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.301 3.415 1.892 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.110 1.816 -0.023 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.089 3.180 -0.538 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.837 3.201 -0.873 1.00 0.00 H new ATOM 584 N THR A 37 4.646 4.676 3.189 1.00 0.00 N ATOM 585 CA THR A 37 6.034 4.306 3.434 1.00 0.00 C ATOM 586 C THR A 37 6.155 2.828 3.789 1.00 0.00 C ATOM 587 O THR A 37 5.425 2.323 4.643 1.00 0.00 O ATOM 588 CB THR A 37 6.648 5.147 4.569 1.00 0.00 C ATOM 589 OG1 THR A 37 6.319 6.529 4.388 1.00 0.00 O ATOM 590 CG2 THR A 37 8.159 4.981 4.609 1.00 0.00 C ATOM 0 H THR A 37 3.965 4.136 3.723 1.00 0.00 H new ATOM 0 HA THR A 37 6.580 4.501 2.511 1.00 0.00 H new ATOM 0 HB THR A 37 6.235 4.797 5.515 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.712 7.057 5.114 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.570 5.584 5.418 1.00 0.00 H new ATOM 0 HG22 THR A 37 8.406 3.933 4.777 1.00 0.00 H new ATOM 0 HG23 THR A 37 8.586 5.307 3.661 1.00 0.00 H new ATOM 598 N LEU A 38 7.080 2.140 3.130 1.00 0.00 N ATOM 599 CA LEU A 38 7.297 0.719 3.377 1.00 0.00 C ATOM 600 C LEU A 38 8.316 0.509 4.493 1.00 0.00 C ATOM 601 O LEU A 38 8.919 1.463 4.984 1.00 0.00 O ATOM 602 CB LEU A 38 7.773 0.026 2.099 1.00 0.00 C ATOM 603 CG LEU A 38 6.680 -0.394 1.116 1.00 0.00 C ATOM 604 CD1 LEU A 38 6.019 0.829 0.499 1.00 0.00 C ATOM 605 CD2 LEU A 38 7.255 -1.295 0.033 1.00 0.00 C ATOM 0 H LEU A 38 7.692 2.543 2.420 1.00 0.00 H new ATOM 0 HA LEU A 38 6.349 0.281 3.689 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.461 0.695 1.582 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.341 -0.861 2.380 1.00 0.00 H new ATOM 0 HG LEU A 38 5.922 -0.955 1.663 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.244 0.511 -0.198 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.572 1.437 1.286 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.767 1.417 -0.034 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.463 -1.584 -0.658 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.033 -0.759 -0.511 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.681 -2.188 0.491 1.00 0.00 H new ATOM 617 N PHE A 39 8.504 -0.746 4.887 1.00 0.00 N ATOM 618 CA PHE A 39 9.451 -1.081 5.944 1.00 0.00 C ATOM 619 C PHE A 39 9.909 -2.532 5.824 1.00 0.00 C ATOM 620 O PHE A 39 9.101 -3.456 5.910 1.00 0.00 O ATOM 621 CB PHE A 39 8.819 -0.846 7.318 1.00 0.00 C ATOM 622 CG PHE A 39 8.952 0.569 7.804 1.00 0.00 C ATOM 623 CD1 PHE A 39 10.102 0.987 8.454 1.00 0.00 C ATOM 624 CD2 PHE A 39 7.927 1.481 7.611 1.00 0.00 C ATOM 625 CE1 PHE A 39 10.226 2.288 8.904 1.00 0.00 C ATOM 626 CE2 PHE A 39 8.046 2.784 8.058 1.00 0.00 C ATOM 627 CZ PHE A 39 9.198 3.188 8.704 1.00 0.00 C ATOM 0 H PHE A 39 8.013 -1.548 4.490 1.00 0.00 H new ATOM 0 HA PHE A 39 10.321 -0.433 5.836 1.00 0.00 H new ATOM 0 HB2 PHE A 39 7.762 -1.108 7.273 1.00 0.00 H new ATOM 0 HB3 PHE A 39 9.283 -1.516 8.042 1.00 0.00 H new ATOM 0 HD1 PHE A 39 10.911 0.288 8.611 1.00 0.00 H new ATOM 0 HD2 PHE A 39 7.025 1.171 7.106 1.00 0.00 H new ATOM 0 HE1 PHE A 39 11.126 2.601 9.412 1.00 0.00 H new ATOM 0 HE2 PHE A 39 7.239 3.485 7.902 1.00 0.00 H new ATOM 0 HZ PHE A 39 9.295 4.206 9.052 1.00 0.00 H new ATOM 637 N GLN A 40 11.209 -2.721 5.625 1.00 0.00 N ATOM 638 CA GLN A 40 11.774 -4.059 5.492 1.00 0.00 C ATOM 639 C GLN A 40 11.323 -4.957 6.639 1.00 0.00 C ATOM 640 O GLN A 40 10.972 -6.117 6.431 1.00 0.00 O ATOM 641 CB GLN A 40 13.302 -3.988 5.454 1.00 0.00 C ATOM 642 CG GLN A 40 13.960 -5.287 5.017 1.00 0.00 C ATOM 643 CD GLN A 40 15.394 -5.404 5.494 1.00 0.00 C ATOM 644 OE1 GLN A 40 16.140 -4.424 5.501 1.00 0.00 O ATOM 645 NE2 GLN A 40 15.788 -6.607 5.896 1.00 0.00 N ATOM 0 H GLN A 40 11.891 -1.966 5.552 1.00 0.00 H new ATOM 0 HA GLN A 40 11.414 -4.487 4.557 1.00 0.00 H new ATOM 0 HB2 GLN A 40 13.604 -3.191 4.775 1.00 0.00 H new ATOM 0 HB3 GLN A 40 13.670 -3.719 6.444 1.00 0.00 H new ATOM 0 HG2 GLN A 40 13.384 -6.129 5.401 1.00 0.00 H new ATOM 0 HG3 GLN A 40 13.936 -5.354 3.929 1.00 0.00 H new ATOM 0 HE21 GLN A 40 15.136 -7.391 5.873 1.00 0.00 H new ATOM 0 HE22 GLN A 40 16.742 -6.747 6.228 1.00 0.00 H new ATOM 654 N ASN A 41 11.335 -4.411 7.851 1.00 0.00 N ATOM 655 CA ASN A 41 10.928 -5.164 9.032 1.00 0.00 C ATOM 656 C ASN A 41 9.960 -4.352 9.888 1.00 0.00 C ATOM 657 O ASN A 41 9.791 -3.151 9.680 1.00 0.00 O ATOM 658 CB ASN A 41 12.154 -5.556 9.860 1.00 0.00 C ATOM 659 CG ASN A 41 13.229 -6.221 9.023 1.00 0.00 C ATOM 660 OD1 ASN A 41 13.003 -6.565 7.863 1.00 0.00 O ATOM 661 ND2 ASN A 41 14.405 -6.407 9.610 1.00 0.00 N ATOM 0 H ASN A 41 11.622 -3.451 8.041 1.00 0.00 H new ATOM 0 HA ASN A 41 10.419 -6.068 8.698 1.00 0.00 H new ATOM 0 HB2 ASN A 41 12.567 -4.667 10.336 1.00 0.00 H new ATOM 0 HB3 ASN A 41 11.849 -6.233 10.658 1.00 0.00 H new ATOM 0 HD21 ASN A 41 15.166 -6.851 9.097 1.00 0.00 H new ATOM 0 HD22 ASN A 41 14.547 -6.106 10.574 1.00 0.00 H new ATOM 755 N TYR A 48 12.658 1.977 3.941 1.00 0.00 N ATOM 756 CA TYR A 48 12.980 1.301 2.690 1.00 0.00 C ATOM 757 C TYR A 48 12.734 2.218 1.496 1.00 0.00 C ATOM 758 O TYR A 48 13.558 2.307 0.585 1.00 0.00 O ATOM 759 CB TYR A 48 12.148 0.026 2.547 1.00 0.00 C ATOM 760 CG TYR A 48 12.406 -0.725 1.260 1.00 0.00 C ATOM 761 CD1 TYR A 48 13.637 -1.321 1.016 1.00 0.00 C ATOM 762 CD2 TYR A 48 11.419 -0.836 0.288 1.00 0.00 C ATOM 763 CE1 TYR A 48 13.878 -2.007 -0.159 1.00 0.00 C ATOM 764 CE2 TYR A 48 11.651 -1.522 -0.889 1.00 0.00 C ATOM 765 CZ TYR A 48 12.881 -2.105 -1.108 1.00 0.00 C ATOM 766 OH TYR A 48 13.116 -2.788 -2.279 1.00 0.00 O ATOM 0 HA TYR A 48 14.037 1.037 2.711 1.00 0.00 H new ATOM 0 HB2 TYR A 48 12.359 -0.632 3.390 1.00 0.00 H new ATOM 0 HB3 TYR A 48 11.090 0.284 2.601 1.00 0.00 H new ATOM 0 HD1 TYR A 48 14.419 -1.247 1.757 1.00 0.00 H new ATOM 0 HD2 TYR A 48 10.455 -0.379 0.455 1.00 0.00 H new ATOM 0 HE1 TYR A 48 14.841 -2.464 -0.334 1.00 0.00 H new ATOM 0 HE2 TYR A 48 10.873 -1.601 -1.634 1.00 0.00 H new ATOM 0 HH TYR A 48 12.312 -2.764 -2.839 1.00 0.00 H new ATOM 776 N LYS A 49 11.594 2.901 1.507 1.00 0.00 N ATOM 777 CA LYS A 49 11.238 3.814 0.428 1.00 0.00 C ATOM 778 C LYS A 49 10.015 4.647 0.801 1.00 0.00 C ATOM 779 O LYS A 49 9.272 4.297 1.717 1.00 0.00 O ATOM 780 CB LYS A 49 10.962 3.032 -0.859 1.00 0.00 C ATOM 781 CG LYS A 49 11.028 3.885 -2.114 1.00 0.00 C ATOM 782 CD LYS A 49 11.142 3.029 -3.364 1.00 0.00 C ATOM 783 CE LYS A 49 11.583 3.852 -4.565 1.00 0.00 C ATOM 784 NZ LYS A 49 11.781 3.006 -5.774 1.00 0.00 N ATOM 0 H LYS A 49 10.900 2.839 2.252 1.00 0.00 H new ATOM 0 HA LYS A 49 12.079 4.488 0.264 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.684 2.220 -0.943 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.975 2.575 -0.792 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.136 4.508 -2.179 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.883 4.558 -2.053 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.856 2.224 -3.191 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.180 2.562 -3.575 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.835 4.617 -4.775 1.00 0.00 H new ATOM 0 HE3 LYS A 49 12.512 4.371 -4.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 12.081 3.604 -6.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 12.512 2.292 -5.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.888 2.531 -6.015 1.00 0.00 H new ATOM 798 N GLU A 50 9.814 5.748 0.085 1.00 0.00 N ATOM 799 CA GLU A 50 8.681 6.630 0.342 1.00 0.00 C ATOM 800 C GLU A 50 7.819 6.786 -0.907 1.00 0.00 C ATOM 801 O GLU A 50 8.332 7.014 -2.004 1.00 0.00 O ATOM 802 CB GLU A 50 9.170 8.001 0.812 1.00 0.00 C ATOM 803 CG GLU A 50 9.656 8.013 2.252 1.00 0.00 C ATOM 804 CD GLU A 50 10.204 9.363 2.672 1.00 0.00 C ATOM 805 OE1 GLU A 50 9.396 10.258 2.997 1.00 0.00 O ATOM 806 OE2 GLU A 50 11.443 9.525 2.675 1.00 0.00 O ATOM 0 H GLU A 50 10.420 6.051 -0.677 1.00 0.00 H new ATOM 0 HA GLU A 50 8.074 6.180 1.128 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.980 8.331 0.161 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.360 8.723 0.705 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.833 7.738 2.912 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.430 7.256 2.376 1.00 0.00 H new ATOM 813 N ILE A 51 6.508 6.661 -0.734 1.00 0.00 N ATOM 814 CA ILE A 51 5.575 6.789 -1.846 1.00 0.00 C ATOM 815 C ILE A 51 4.484 7.808 -1.534 1.00 0.00 C ATOM 816 O ILE A 51 3.481 7.503 -0.890 1.00 0.00 O ATOM 817 CB ILE A 51 4.917 5.439 -2.187 1.00 0.00 C ATOM 818 CG1 ILE A 51 5.987 4.393 -2.510 1.00 0.00 C ATOM 819 CG2 ILE A 51 3.955 5.598 -3.355 1.00 0.00 C ATOM 820 CD1 ILE A 51 5.494 2.968 -2.391 1.00 0.00 C ATOM 0 H ILE A 51 6.068 6.471 0.166 1.00 0.00 H new ATOM 0 HA ILE A 51 6.153 7.130 -2.705 1.00 0.00 H new ATOM 0 HB ILE A 51 4.351 5.098 -1.320 1.00 0.00 H new ATOM 0 HG12 ILE A 51 6.352 4.559 -3.524 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.835 4.533 -1.839 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.498 4.635 -3.584 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.178 6.315 -3.091 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.499 5.958 -4.228 1.00 0.00 H new ATOM 0 HD11 ILE A 51 6.305 2.281 -2.634 1.00 0.00 H new ATOM 0 HD12 ILE A 51 5.156 2.784 -1.371 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.666 2.811 -3.082 1.00 0.00 H new ATOM 832 N PRO A 52 4.683 9.049 -2.004 1.00 0.00 N ATOM 833 CA PRO A 52 3.726 10.139 -1.790 1.00 0.00 C ATOM 834 C PRO A 52 2.436 9.941 -2.579 1.00 0.00 C ATOM 835 O PRO A 52 2.466 9.692 -3.785 1.00 0.00 O ATOM 836 CB PRO A 52 4.477 11.374 -2.293 1.00 0.00 C ATOM 837 CG PRO A 52 5.458 10.844 -3.280 1.00 0.00 C ATOM 838 CD PRO A 52 5.856 9.484 -2.780 1.00 0.00 C ATOM 0 HA PRO A 52 3.413 10.209 -0.748 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.797 12.090 -2.755 1.00 0.00 H new ATOM 0 HB3 PRO A 52 4.978 11.893 -1.476 1.00 0.00 H new ATOM 0 HG2 PRO A 52 5.015 10.780 -4.274 1.00 0.00 H new ATOM 0 HG3 PRO A 52 6.325 11.500 -3.359 1.00 0.00 H new ATOM 0 HD2 PRO A 52 6.070 8.801 -3.602 1.00 0.00 H new ATOM 0 HD3 PRO A 52 6.752 9.530 -2.162 1.00 0.00 H new ATOM 846 N LEU A 53 1.305 10.053 -1.892 1.00 0.00 N ATOM 847 CA LEU A 53 0.003 9.888 -2.529 1.00 0.00 C ATOM 848 C LEU A 53 0.029 10.406 -3.963 1.00 0.00 C ATOM 849 O LEU A 53 -0.646 9.868 -4.841 1.00 0.00 O ATOM 850 CB LEU A 53 -1.076 10.620 -1.729 1.00 0.00 C ATOM 851 CG LEU A 53 -1.365 10.071 -0.332 1.00 0.00 C ATOM 852 CD1 LEU A 53 -2.215 11.051 0.462 1.00 0.00 C ATOM 853 CD2 LEU A 53 -2.054 8.717 -0.423 1.00 0.00 C ATOM 0 H LEU A 53 1.263 10.257 -0.894 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.230 8.824 -2.551 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.782 11.665 -1.633 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.002 10.601 -2.304 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.417 9.940 0.189 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.410 10.643 1.454 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.684 11.998 0.558 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.160 11.215 -0.055 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.252 8.341 0.581 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.995 8.823 -0.963 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.409 8.015 -0.952 1.00 0.00 H new ATOM 865 N SER A 54 0.814 11.453 -4.195 1.00 0.00 N ATOM 866 CA SER A 54 0.927 12.045 -5.522 1.00 0.00 C ATOM 867 C SER A 54 1.494 11.039 -6.519 1.00 0.00 C ATOM 868 O SER A 54 0.926 10.824 -7.590 1.00 0.00 O ATOM 869 CB SER A 54 1.816 13.290 -5.475 1.00 0.00 C ATOM 870 OG SER A 54 1.140 14.377 -4.868 1.00 0.00 O ATOM 0 H SER A 54 1.381 11.909 -3.480 1.00 0.00 H new ATOM 0 HA SER A 54 -0.072 12.333 -5.850 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.728 13.069 -4.920 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.117 13.564 -6.486 1.00 0.00 H new ATOM 0 HG SER A 54 1.730 15.159 -4.849 1.00 0.00 H new ATOM 876 N GLU A 55 2.618 10.427 -6.159 1.00 0.00 N ATOM 877 CA GLU A 55 3.262 9.444 -7.022 1.00 0.00 C ATOM 878 C GLU A 55 2.225 8.555 -7.703 1.00 0.00 C ATOM 879 O GLU A 55 2.244 8.383 -8.922 1.00 0.00 O ATOM 880 CB GLU A 55 4.237 8.585 -6.215 1.00 0.00 C ATOM 881 CG GLU A 55 5.420 8.082 -7.025 1.00 0.00 C ATOM 882 CD GLU A 55 6.569 9.071 -7.054 1.00 0.00 C ATOM 883 OE1 GLU A 55 6.483 10.059 -7.814 1.00 0.00 O ATOM 884 OE2 GLU A 55 7.555 8.858 -6.317 1.00 0.00 O ATOM 0 H GLU A 55 3.101 10.595 -5.276 1.00 0.00 H new ATOM 0 HA GLU A 55 3.815 9.981 -7.792 1.00 0.00 H new ATOM 0 HB2 GLU A 55 4.607 9.166 -5.370 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.700 7.731 -5.803 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.768 7.138 -6.605 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.096 7.877 -8.045 1.00 0.00 H new ATOM 891 N ILE A 56 1.324 7.992 -6.906 1.00 0.00 N ATOM 892 CA ILE A 56 0.279 7.121 -7.430 1.00 0.00 C ATOM 893 C ILE A 56 -0.569 7.844 -8.471 1.00 0.00 C ATOM 894 O ILE A 56 -1.611 8.417 -8.149 1.00 0.00 O ATOM 895 CB ILE A 56 -0.638 6.602 -6.307 1.00 0.00 C ATOM 896 CG1 ILE A 56 0.174 5.806 -5.283 1.00 0.00 C ATOM 897 CG2 ILE A 56 -1.753 5.745 -6.888 1.00 0.00 C ATOM 898 CD1 ILE A 56 0.736 6.657 -4.166 1.00 0.00 C ATOM 0 H ILE A 56 1.296 8.123 -5.895 1.00 0.00 H new ATOM 0 HA ILE A 56 0.780 6.274 -7.898 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.088 7.456 -5.801 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.459 5.029 -4.854 1.00 0.00 H new ATOM 0 HG13 ILE A 56 0.995 5.303 -5.794 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.393 5.385 -6.082 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -2.345 6.340 -7.583 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.321 4.894 -7.415 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.300 6.028 -3.477 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.395 7.418 -4.584 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.081 7.140 -3.630 1.00 0.00 H new ATOM 910 N LEU A 57 -0.117 7.813 -9.720 1.00 0.00 N ATOM 911 CA LEU A 57 -0.836 8.464 -10.809 1.00 0.00 C ATOM 912 C LEU A 57 -2.290 8.005 -10.854 1.00 0.00 C ATOM 913 O LEU A 57 -3.210 8.817 -10.764 1.00 0.00 O ATOM 914 CB LEU A 57 -0.154 8.167 -12.146 1.00 0.00 C ATOM 915 CG LEU A 57 1.317 8.570 -12.253 1.00 0.00 C ATOM 916 CD1 LEU A 57 2.044 7.678 -13.248 1.00 0.00 C ATOM 917 CD2 LEU A 57 1.442 10.032 -12.654 1.00 0.00 C ATOM 0 H LEU A 57 0.743 7.344 -10.003 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.820 9.539 -10.630 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.232 7.097 -12.341 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.708 8.676 -12.935 1.00 0.00 H new ATOM 0 HG LEU A 57 1.781 8.442 -11.275 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.090 7.980 -13.311 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.985 6.641 -12.918 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.579 7.773 -14.229 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.496 10.301 -12.725 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.962 10.187 -13.620 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.958 10.658 -11.904 1.00 0.00 H new ATOM 929 N ARG A 58 -2.488 6.698 -10.992 1.00 0.00 N ATOM 930 CA ARG A 58 -3.830 6.131 -11.048 1.00 0.00 C ATOM 931 C ARG A 58 -3.781 4.608 -10.963 1.00 0.00 C ATOM 932 O ARG A 58 -2.703 4.013 -10.949 1.00 0.00 O ATOM 933 CB ARG A 58 -4.534 6.558 -12.337 1.00 0.00 C ATOM 934 CG ARG A 58 -3.885 6.009 -13.597 1.00 0.00 C ATOM 935 CD ARG A 58 -4.666 6.399 -14.842 1.00 0.00 C ATOM 936 NE ARG A 58 -3.941 6.073 -16.067 1.00 0.00 N ATOM 937 CZ ARG A 58 -3.031 6.869 -16.617 1.00 0.00 C ATOM 938 NH1 ARG A 58 -2.735 8.032 -16.052 1.00 0.00 N ATOM 939 NH2 ARG A 58 -2.414 6.503 -17.733 1.00 0.00 N ATOM 0 H ARG A 58 -1.737 6.012 -11.067 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.392 6.508 -10.193 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -5.572 6.228 -12.300 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -4.547 7.647 -12.390 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.864 6.384 -13.674 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.822 4.923 -13.531 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.628 5.886 -14.842 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.876 7.468 -14.818 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.145 5.185 -16.526 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -3.207 8.317 -15.193 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -2.036 8.642 -16.476 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -2.638 5.609 -18.170 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -1.715 7.116 -18.154 1.00 0.00 H new ATOM 953 N ILE A 59 -4.953 3.986 -10.907 1.00 0.00 N ATOM 954 CA ILE A 59 -5.043 2.533 -10.825 1.00 0.00 C ATOM 955 C ILE A 59 -5.328 1.921 -12.192 1.00 0.00 C ATOM 956 O ILE A 59 -6.175 2.412 -12.938 1.00 0.00 O ATOM 957 CB ILE A 59 -6.140 2.092 -9.838 1.00 0.00 C ATOM 958 CG1 ILE A 59 -5.920 2.745 -8.472 1.00 0.00 C ATOM 959 CG2 ILE A 59 -6.159 0.576 -9.710 1.00 0.00 C ATOM 960 CD1 ILE A 59 -4.722 2.199 -7.727 1.00 0.00 C ATOM 0 H ILE A 59 -5.854 4.465 -10.917 1.00 0.00 H new ATOM 0 HA ILE A 59 -4.078 2.177 -10.465 1.00 0.00 H new ATOM 0 HB ILE A 59 -7.107 2.417 -10.223 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.794 3.819 -8.608 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.812 2.603 -7.862 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.939 0.280 -9.009 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.359 0.131 -10.685 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -5.192 0.230 -9.344 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -4.627 2.708 -6.768 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.854 1.130 -7.559 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.820 2.365 -8.316 1.00 0.00 H new ATOM 972 N SER A 60 -4.617 0.846 -12.513 1.00 0.00 N ATOM 973 CA SER A 60 -4.793 0.167 -13.792 1.00 0.00 C ATOM 974 C SER A 60 -6.014 -0.746 -13.759 1.00 0.00 C ATOM 975 O SER A 60 -6.363 -1.298 -12.715 1.00 0.00 O ATOM 976 CB SER A 60 -3.543 -0.646 -14.137 1.00 0.00 C ATOM 977 OG SER A 60 -3.537 -1.014 -15.506 1.00 0.00 O ATOM 0 H SER A 60 -3.913 0.426 -11.906 1.00 0.00 H new ATOM 0 HA SER A 60 -4.949 0.925 -14.560 1.00 0.00 H new ATOM 0 HB2 SER A 60 -2.651 -0.062 -13.910 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.504 -1.541 -13.516 1.00 0.00 H new ATOM 0 HG SER A 60 -2.728 -1.531 -15.702 1.00 0.00 H new ATOM 1185 N HIS A 75 -3.755 -10.421 -8.697 1.00 0.00 N ATOM 1186 CA HIS A 75 -3.683 -9.202 -7.899 1.00 0.00 C ATOM 1187 C HIS A 75 -4.999 -8.432 -7.964 1.00 0.00 C ATOM 1188 O HIS A 75 -5.722 -8.502 -8.959 1.00 0.00 O ATOM 1189 CB HIS A 75 -2.536 -8.316 -8.386 1.00 0.00 C ATOM 1190 CG HIS A 75 -2.653 -7.923 -9.827 1.00 0.00 C ATOM 1191 ND1 HIS A 75 -2.397 -8.791 -10.867 1.00 0.00 N ATOM 1192 CD2 HIS A 75 -3.002 -6.746 -10.397 1.00 0.00 C ATOM 1193 CE1 HIS A 75 -2.582 -8.165 -12.015 1.00 0.00 C ATOM 1194 NE2 HIS A 75 -2.950 -6.922 -11.758 1.00 0.00 N ATOM 0 HA HIS A 75 -3.499 -9.485 -6.863 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -2.499 -7.415 -7.774 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -1.593 -8.842 -8.237 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -3.271 -5.838 -9.878 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -2.454 -8.596 -12.997 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -3.161 -6.209 -12.457 1.00 0.00 H new ATOM 1203 N CYS A 76 -5.303 -7.699 -6.899 1.00 0.00 N ATOM 1204 CA CYS A 76 -6.532 -6.917 -6.835 1.00 0.00 C ATOM 1205 C CYS A 76 -6.410 -5.642 -7.663 1.00 0.00 C ATOM 1206 O CYS A 76 -7.270 -5.342 -8.492 1.00 0.00 O ATOM 1207 CB CYS A 76 -6.863 -6.566 -5.383 1.00 0.00 C ATOM 1208 SG CYS A 76 -8.390 -5.620 -5.182 1.00 0.00 S ATOM 0 H CYS A 76 -4.715 -7.630 -6.068 1.00 0.00 H new ATOM 0 HA CYS A 76 -7.339 -7.521 -7.249 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -6.941 -7.488 -4.806 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -6.036 -5.995 -4.961 1.00 0.00 H new ATOM 0 HG CYS A 76 -8.585 -5.373 -3.921 1.00 0.00 H new ATOM 1214 N PHE A 77 -5.336 -4.894 -7.433 1.00 0.00 N ATOM 1215 CA PHE A 77 -5.102 -3.649 -8.156 1.00 0.00 C ATOM 1216 C PHE A 77 -3.624 -3.488 -8.497 1.00 0.00 C ATOM 1217 O PHE A 77 -2.802 -4.338 -8.156 1.00 0.00 O ATOM 1218 CB PHE A 77 -5.579 -2.455 -7.326 1.00 0.00 C ATOM 1219 CG PHE A 77 -4.891 -2.336 -5.996 1.00 0.00 C ATOM 1220 CD1 PHE A 77 -5.326 -3.075 -4.908 1.00 0.00 C ATOM 1221 CD2 PHE A 77 -3.810 -1.485 -5.835 1.00 0.00 C ATOM 1222 CE1 PHE A 77 -4.695 -2.968 -3.683 1.00 0.00 C ATOM 1223 CE2 PHE A 77 -3.174 -1.374 -4.613 1.00 0.00 C ATOM 1224 CZ PHE A 77 -3.618 -2.116 -3.535 1.00 0.00 C ATOM 0 H PHE A 77 -4.614 -5.128 -6.752 1.00 0.00 H new ATOM 0 HA PHE A 77 -5.669 -3.686 -9.086 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -5.415 -1.539 -7.894 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -6.653 -2.542 -7.164 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -6.168 -3.742 -5.018 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.460 -0.902 -6.674 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -5.044 -3.550 -2.843 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -2.331 -0.708 -4.501 1.00 0.00 H new ATOM 0 HZ PHE A 77 -3.124 -2.030 -2.579 1.00 0.00 H new ATOM 1234 N GLU A 78 -3.295 -2.391 -9.172 1.00 0.00 N ATOM 1235 CA GLU A 78 -1.916 -2.119 -9.561 1.00 0.00 C ATOM 1236 C GLU A 78 -1.559 -0.656 -9.313 1.00 0.00 C ATOM 1237 O GLU A 78 -2.144 0.246 -9.912 1.00 0.00 O ATOM 1238 CB GLU A 78 -1.700 -2.465 -11.036 1.00 0.00 C ATOM 1239 CG GLU A 78 -2.172 -3.860 -11.409 1.00 0.00 C ATOM 1240 CD GLU A 78 -2.503 -3.989 -12.883 1.00 0.00 C ATOM 1241 OE1 GLU A 78 -1.743 -3.444 -13.711 1.00 0.00 O ATOM 1242 OE2 GLU A 78 -3.521 -4.635 -13.209 1.00 0.00 O ATOM 0 H GLU A 78 -3.964 -1.677 -9.461 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.264 -2.743 -8.950 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -2.226 -1.736 -11.652 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -0.639 -2.375 -11.270 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -1.398 -4.583 -11.150 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.054 -4.111 -10.819 1.00 0.00 H new ATOM 1249 N ILE A 79 -0.597 -0.431 -8.425 1.00 0.00 N ATOM 1250 CA ILE A 79 -0.161 0.921 -8.098 1.00 0.00 C ATOM 1251 C ILE A 79 0.838 1.441 -9.125 1.00 0.00 C ATOM 1252 O ILE A 79 2.004 1.045 -9.127 1.00 0.00 O ATOM 1253 CB ILE A 79 0.479 0.984 -6.698 1.00 0.00 C ATOM 1254 CG1 ILE A 79 -0.483 0.424 -5.648 1.00 0.00 C ATOM 1255 CG2 ILE A 79 0.869 2.414 -6.358 1.00 0.00 C ATOM 1256 CD1 ILE A 79 0.148 0.245 -4.285 1.00 0.00 C ATOM 0 H ILE A 79 -0.105 -1.167 -7.919 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.051 1.550 -8.110 1.00 0.00 H new ATOM 0 HB ILE A 79 1.381 0.373 -6.699 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -1.339 1.093 -5.558 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.864 -0.537 -5.992 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.320 2.442 -5.366 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.586 2.780 -7.093 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.019 3.046 -6.371 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.592 -0.155 -3.591 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.987 -0.447 -4.360 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.504 1.208 -3.920 1.00 0.00 H new ATOM 1268 N ILE A 80 0.374 2.331 -9.997 1.00 0.00 N ATOM 1269 CA ILE A 80 1.229 2.907 -11.027 1.00 0.00 C ATOM 1270 C ILE A 80 1.850 4.217 -10.557 1.00 0.00 C ATOM 1271 O ILE A 80 1.191 5.257 -10.532 1.00 0.00 O ATOM 1272 CB ILE A 80 0.447 3.161 -12.330 1.00 0.00 C ATOM 1273 CG1 ILE A 80 -0.134 1.851 -12.865 1.00 0.00 C ATOM 1274 CG2 ILE A 80 1.347 3.812 -13.369 1.00 0.00 C ATOM 1275 CD1 ILE A 80 -1.519 1.545 -12.341 1.00 0.00 C ATOM 0 H ILE A 80 -0.589 2.668 -10.010 1.00 0.00 H new ATOM 0 HA ILE A 80 2.020 2.183 -11.222 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.378 3.841 -12.115 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.168 1.896 -13.954 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.535 1.032 -12.601 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.780 3.985 -14.284 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.717 4.763 -12.986 1.00 0.00 H new ATOM 0 HG23 ILE A 80 2.190 3.155 -13.583 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -1.867 0.602 -12.762 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.488 1.467 -11.254 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.202 2.345 -12.628 1.00 0.00 H new ATOM 1287 N THR A 81 3.126 4.162 -10.186 1.00 0.00 N ATOM 1288 CA THR A 81 3.838 5.344 -9.717 1.00 0.00 C ATOM 1289 C THR A 81 4.833 5.837 -10.761 1.00 0.00 C ATOM 1290 O THR A 81 5.490 5.040 -11.431 1.00 0.00 O ATOM 1291 CB THR A 81 4.588 5.063 -8.401 1.00 0.00 C ATOM 1292 OG1 THR A 81 5.400 3.892 -8.541 1.00 0.00 O ATOM 1293 CG2 THR A 81 3.611 4.874 -7.251 1.00 0.00 C ATOM 0 H THR A 81 3.687 3.310 -10.202 1.00 0.00 H new ATOM 0 HA THR A 81 3.088 6.115 -9.541 1.00 0.00 H new ATOM 0 HB THR A 81 5.223 5.921 -8.180 1.00 0.00 H new ATOM 0 HG1 THR A 81 5.408 3.610 -9.479 1.00 0.00 H new ATOM 0 HG21 THR A 81 4.164 4.677 -6.333 1.00 0.00 H new ATOM 0 HG22 THR A 81 3.014 5.778 -7.128 1.00 0.00 H new ATOM 0 HG23 THR A 81 2.954 4.032 -7.467 1.00 0.00 H new ATOM 1301 N ASP A 82 4.940 7.154 -10.895 1.00 0.00 N ATOM 1302 CA ASP A 82 5.857 7.753 -11.857 1.00 0.00 C ATOM 1303 C ASP A 82 7.136 6.930 -11.974 1.00 0.00 C ATOM 1304 O ASP A 82 7.642 6.701 -13.073 1.00 0.00 O ATOM 1305 CB ASP A 82 6.195 9.187 -11.446 1.00 0.00 C ATOM 1306 CG ASP A 82 5.152 10.184 -11.912 1.00 0.00 C ATOM 1307 OD1 ASP A 82 4.171 10.405 -11.172 1.00 0.00 O ATOM 1308 OD2 ASP A 82 5.317 10.743 -13.017 1.00 0.00 O ATOM 0 H ASP A 82 4.403 7.828 -10.349 1.00 0.00 H new ATOM 0 HA ASP A 82 5.366 7.768 -12.830 1.00 0.00 H new ATOM 0 HB2 ASP A 82 6.284 9.239 -10.361 1.00 0.00 H new ATOM 0 HB3 ASP A 82 7.166 9.461 -11.859 1.00 0.00 H new ATOM 1313 N THR A 83 7.655 6.486 -10.833 1.00 0.00 N ATOM 1314 CA THR A 83 8.875 5.690 -10.808 1.00 0.00 C ATOM 1315 C THR A 83 8.692 4.377 -11.561 1.00 0.00 C ATOM 1316 O THR A 83 9.338 4.141 -12.581 1.00 0.00 O ATOM 1317 CB THR A 83 9.315 5.383 -9.364 1.00 0.00 C ATOM 1318 OG1 THR A 83 8.210 4.867 -8.614 1.00 0.00 O ATOM 1319 CG2 THR A 83 9.856 6.633 -8.685 1.00 0.00 C ATOM 0 H THR A 83 7.249 6.665 -9.915 1.00 0.00 H new ATOM 0 HA THR A 83 9.648 6.282 -11.299 1.00 0.00 H new ATOM 0 HB THR A 83 10.109 4.637 -9.401 1.00 0.00 H new ATOM 0 HG1 THR A 83 8.499 4.673 -7.698 1.00 0.00 H new ATOM 0 HG21 THR A 83 10.160 6.391 -7.667 1.00 0.00 H new ATOM 0 HG22 THR A 83 10.716 7.006 -9.242 1.00 0.00 H new ATOM 0 HG23 THR A 83 9.080 7.398 -8.660 1.00 0.00 H new ATOM 1327 N MET A 84 7.806 3.527 -11.051 1.00 0.00 N ATOM 1328 CA MET A 84 7.537 2.238 -11.678 1.00 0.00 C ATOM 1329 C MET A 84 6.175 1.701 -11.252 1.00 0.00 C ATOM 1330 O MET A 84 5.541 2.238 -10.344 1.00 0.00 O ATOM 1331 CB MET A 84 8.631 1.232 -11.316 1.00 0.00 C ATOM 1332 CG MET A 84 9.778 1.196 -12.314 1.00 0.00 C ATOM 1333 SD MET A 84 10.977 -0.099 -11.947 1.00 0.00 S ATOM 1334 CE MET A 84 9.917 -1.542 -11.910 1.00 0.00 C ATOM 0 H MET A 84 7.263 3.707 -10.207 1.00 0.00 H new ATOM 0 HA MET A 84 7.530 2.382 -12.758 1.00 0.00 H new ATOM 0 HB2 MET A 84 9.026 1.476 -10.330 1.00 0.00 H new ATOM 0 HB3 MET A 84 8.190 0.238 -11.246 1.00 0.00 H new ATOM 0 HG2 MET A 84 9.378 1.042 -13.316 1.00 0.00 H new ATOM 0 HG3 MET A 84 10.282 2.162 -12.317 1.00 0.00 H new ATOM 0 HE1 MET A 84 10.520 -2.432 -11.729 1.00 0.00 H new ATOM 0 HE2 MET A 84 9.182 -1.433 -11.113 1.00 0.00 H new ATOM 0 HE3 MET A 84 9.403 -1.641 -12.866 1.00 0.00 H new ATOM 1344 N VAL A 85 5.729 0.637 -11.914 1.00 0.00 N ATOM 1345 CA VAL A 85 4.443 0.027 -11.602 1.00 0.00 C ATOM 1346 C VAL A 85 4.589 -1.051 -10.534 1.00 0.00 C ATOM 1347 O VAL A 85 5.588 -1.770 -10.496 1.00 0.00 O ATOM 1348 CB VAL A 85 3.798 -0.594 -12.856 1.00 0.00 C ATOM 1349 CG1 VAL A 85 2.492 -1.286 -12.498 1.00 0.00 C ATOM 1350 CG2 VAL A 85 3.573 0.469 -13.921 1.00 0.00 C ATOM 0 H VAL A 85 6.240 0.180 -12.670 1.00 0.00 H new ATOM 0 HA VAL A 85 3.799 0.822 -11.226 1.00 0.00 H new ATOM 0 HB VAL A 85 4.479 -1.343 -13.260 1.00 0.00 H new ATOM 0 HG11 VAL A 85 2.051 -1.718 -13.396 1.00 0.00 H new ATOM 0 HG12 VAL A 85 2.686 -2.076 -11.772 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.802 -0.560 -12.068 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.117 0.013 -14.800 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.912 1.242 -13.529 1.00 0.00 H new ATOM 0 HG23 VAL A 85 4.528 0.914 -14.198 1.00 0.00 H new ATOM 1360 N TYR A 86 3.588 -1.157 -9.667 1.00 0.00 N ATOM 1361 CA TYR A 86 3.606 -2.146 -8.596 1.00 0.00 C ATOM 1362 C TYR A 86 2.301 -2.935 -8.561 1.00 0.00 C ATOM 1363 O TYR A 86 1.218 -2.373 -8.726 1.00 0.00 O ATOM 1364 CB TYR A 86 3.839 -1.463 -7.247 1.00 0.00 C ATOM 1365 CG TYR A 86 5.079 -0.599 -7.212 1.00 0.00 C ATOM 1366 CD1 TYR A 86 6.333 -1.138 -7.473 1.00 0.00 C ATOM 1367 CD2 TYR A 86 4.998 0.756 -6.916 1.00 0.00 C ATOM 1368 CE1 TYR A 86 7.469 -0.353 -7.441 1.00 0.00 C ATOM 1369 CE2 TYR A 86 6.129 1.549 -6.884 1.00 0.00 C ATOM 1370 CZ TYR A 86 7.362 0.990 -7.147 1.00 0.00 C ATOM 1371 OH TYR A 86 8.491 1.776 -7.114 1.00 0.00 O ATOM 0 H TYR A 86 2.754 -0.570 -9.685 1.00 0.00 H new ATOM 0 HA TYR A 86 4.424 -2.840 -8.790 1.00 0.00 H new ATOM 0 HB2 TYR A 86 2.971 -0.849 -7.006 1.00 0.00 H new ATOM 0 HB3 TYR A 86 3.916 -2.225 -6.472 1.00 0.00 H new ATOM 0 HD1 TYR A 86 6.421 -2.189 -7.705 1.00 0.00 H new ATOM 0 HD2 TYR A 86 4.034 1.197 -6.707 1.00 0.00 H new ATOM 0 HE1 TYR A 86 8.436 -0.789 -7.645 1.00 0.00 H new ATOM 0 HE2 TYR A 86 6.048 2.601 -6.654 1.00 0.00 H new ATOM 0 HH TYR A 86 8.242 2.698 -6.893 1.00 0.00 H new ATOM 1381 N PHE A 87 2.413 -4.241 -8.344 1.00 0.00 N ATOM 1382 CA PHE A 87 1.243 -5.110 -8.287 1.00 0.00 C ATOM 1383 C PHE A 87 1.063 -5.689 -6.887 1.00 0.00 C ATOM 1384 O PHE A 87 1.861 -6.512 -6.436 1.00 0.00 O ATOM 1385 CB PHE A 87 1.372 -6.242 -9.308 1.00 0.00 C ATOM 1386 CG PHE A 87 1.562 -5.760 -10.717 1.00 0.00 C ATOM 1387 CD1 PHE A 87 2.749 -5.160 -11.104 1.00 0.00 C ATOM 1388 CD2 PHE A 87 0.554 -5.908 -11.656 1.00 0.00 C ATOM 1389 CE1 PHE A 87 2.926 -4.715 -12.400 1.00 0.00 C ATOM 1390 CE2 PHE A 87 0.725 -5.465 -12.954 1.00 0.00 C ATOM 1391 CZ PHE A 87 1.914 -4.869 -13.327 1.00 0.00 C ATOM 0 H PHE A 87 3.302 -4.721 -8.205 1.00 0.00 H new ATOM 0 HA PHE A 87 0.365 -4.511 -8.528 1.00 0.00 H new ATOM 0 HB2 PHE A 87 2.216 -6.875 -9.032 1.00 0.00 H new ATOM 0 HB3 PHE A 87 0.478 -6.865 -9.263 1.00 0.00 H new ATOM 0 HD1 PHE A 87 3.545 -5.039 -10.384 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -0.377 -6.375 -11.370 1.00 0.00 H new ATOM 0 HE1 PHE A 87 3.856 -4.247 -12.688 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -0.070 -5.585 -13.675 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.052 -4.524 -14.341 1.00 0.00 H new ATOM 1401 N VAL A 88 0.010 -5.253 -6.203 1.00 0.00 N ATOM 1402 CA VAL A 88 -0.276 -5.729 -4.854 1.00 0.00 C ATOM 1403 C VAL A 88 -1.576 -6.523 -4.816 1.00 0.00 C ATOM 1404 O VAL A 88 -2.509 -6.243 -5.567 1.00 0.00 O ATOM 1405 CB VAL A 88 -0.371 -4.560 -3.856 1.00 0.00 C ATOM 1406 CG1 VAL A 88 -0.423 -5.080 -2.428 1.00 0.00 C ATOM 1407 CG2 VAL A 88 0.799 -3.604 -4.042 1.00 0.00 C ATOM 0 H VAL A 88 -0.659 -4.571 -6.560 1.00 0.00 H new ATOM 0 HA VAL A 88 0.551 -6.378 -4.565 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.293 -4.012 -4.052 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.490 -4.240 -1.737 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.296 -5.721 -2.306 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.480 -5.653 -2.216 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.716 -2.784 -3.329 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.735 -4.137 -3.874 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.785 -3.205 -5.056 1.00 0.00 H new ATOM 1417 N GLY A 89 -1.631 -7.516 -3.933 1.00 0.00 N ATOM 1418 CA GLY A 89 -2.822 -8.336 -3.812 1.00 0.00 C ATOM 1419 C GLY A 89 -2.534 -9.810 -4.017 1.00 0.00 C ATOM 1420 O GLY A 89 -2.359 -10.263 -5.147 1.00 0.00 O ATOM 0 H GLY A 89 -0.872 -7.767 -3.300 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -3.262 -8.189 -2.826 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.561 -8.008 -4.543 1.00 0.00 H new ATOM 1424 N GLU A 90 -2.484 -10.560 -2.920 1.00 0.00 N ATOM 1425 CA GLU A 90 -2.213 -11.991 -2.985 1.00 0.00 C ATOM 1426 C GLU A 90 -3.499 -12.796 -2.823 1.00 0.00 C ATOM 1427 O GLU A 90 -4.120 -12.786 -1.761 1.00 0.00 O ATOM 1428 CB GLU A 90 -1.207 -12.392 -1.903 1.00 0.00 C ATOM 1429 CG GLU A 90 -1.298 -13.854 -1.500 1.00 0.00 C ATOM 1430 CD GLU A 90 -2.256 -14.082 -0.347 1.00 0.00 C ATOM 1431 OE1 GLU A 90 -2.424 -13.160 0.478 1.00 0.00 O ATOM 1432 OE2 GLU A 90 -2.839 -15.184 -0.270 1.00 0.00 O ATOM 0 H GLU A 90 -2.628 -10.200 -1.976 1.00 0.00 H new ATOM 0 HA GLU A 90 -1.788 -12.210 -3.965 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -0.199 -12.185 -2.261 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -1.366 -11.770 -1.022 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -1.621 -14.444 -2.358 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -0.307 -14.213 -1.221 1.00 0.00 H new ATOM 1439 N ASN A 91 -3.891 -13.492 -3.885 1.00 0.00 N ATOM 1440 CA ASN A 91 -5.104 -14.303 -3.862 1.00 0.00 C ATOM 1441 C ASN A 91 -4.765 -15.786 -3.749 1.00 0.00 C ATOM 1442 O ASN A 91 -4.171 -16.368 -4.656 1.00 0.00 O ATOM 1443 CB ASN A 91 -5.934 -14.052 -5.123 1.00 0.00 C ATOM 1444 CG ASN A 91 -6.928 -12.921 -4.945 1.00 0.00 C ATOM 1445 OD1 ASN A 91 -8.138 -13.145 -4.899 1.00 0.00 O ATOM 1446 ND2 ASN A 91 -6.421 -11.698 -4.844 1.00 0.00 N ATOM 0 H ASN A 91 -3.387 -13.511 -4.772 1.00 0.00 H new ATOM 0 HA ASN A 91 -5.688 -14.015 -2.988 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -5.267 -13.819 -5.953 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -6.469 -14.963 -5.390 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -7.041 -10.897 -4.723 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -5.411 -11.559 -4.887 1.00 0.00 H new ATOM 1646 N GLY A 107 -5.022 -12.535 1.359 1.00 0.00 N ATOM 1647 CA GLY A 107 -6.155 -12.768 0.483 1.00 0.00 C ATOM 1648 C GLY A 107 -6.598 -11.511 -0.239 1.00 0.00 C ATOM 1649 O GLY A 107 -5.884 -10.508 -0.248 1.00 0.00 O ATOM 0 HA2 GLY A 107 -5.893 -13.531 -0.250 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -6.987 -13.160 1.067 1.00 0.00 H new ATOM 1653 N LEU A 108 -7.778 -11.565 -0.847 1.00 0.00 N ATOM 1654 CA LEU A 108 -8.315 -10.422 -1.577 1.00 0.00 C ATOM 1655 C LEU A 108 -9.147 -9.532 -0.660 1.00 0.00 C ATOM 1656 O LEU A 108 -9.123 -8.307 -0.778 1.00 0.00 O ATOM 1657 CB LEU A 108 -9.167 -10.899 -2.755 1.00 0.00 C ATOM 1658 CG LEU A 108 -9.839 -9.804 -3.584 1.00 0.00 C ATOM 1659 CD1 LEU A 108 -8.794 -8.937 -4.269 1.00 0.00 C ATOM 1660 CD2 LEU A 108 -10.783 -10.415 -4.609 1.00 0.00 C ATOM 0 H LEU A 108 -8.381 -12.388 -0.849 1.00 0.00 H new ATOM 0 HA LEU A 108 -7.477 -9.838 -1.956 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -8.536 -11.493 -3.417 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -9.941 -11.564 -2.372 1.00 0.00 H new ATOM 0 HG LEU A 108 -10.422 -9.173 -2.913 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -9.290 -8.163 -4.855 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -8.158 -8.471 -3.516 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -8.184 -9.555 -4.928 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -11.252 -9.621 -5.190 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -10.222 -11.069 -5.276 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -11.552 -10.993 -4.096 1.00 0.00 H new ATOM 1672 N ASP A 109 -9.880 -10.156 0.255 1.00 0.00 N ATOM 1673 CA ASP A 109 -10.718 -9.420 1.196 1.00 0.00 C ATOM 1674 C ASP A 109 -9.915 -8.333 1.902 1.00 0.00 C ATOM 1675 O ASP A 109 -10.380 -7.203 2.055 1.00 0.00 O ATOM 1676 CB ASP A 109 -11.324 -10.375 2.226 1.00 0.00 C ATOM 1677 CG ASP A 109 -12.289 -11.363 1.601 1.00 0.00 C ATOM 1678 OD1 ASP A 109 -13.056 -10.958 0.702 1.00 0.00 O ATOM 1679 OD2 ASP A 109 -12.277 -12.543 2.011 1.00 0.00 O ATOM 0 H ASP A 109 -9.911 -11.169 0.366 1.00 0.00 H new ATOM 0 HA ASP A 109 -11.523 -8.945 0.635 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -10.524 -10.920 2.727 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -11.844 -9.798 2.991 1.00 0.00 H new ATOM 1684 N VAL A 110 -8.706 -8.682 2.333 1.00 0.00 N ATOM 1685 CA VAL A 110 -7.839 -7.735 3.024 1.00 0.00 C ATOM 1686 C VAL A 110 -7.252 -6.717 2.053 1.00 0.00 C ATOM 1687 O VAL A 110 -6.976 -5.577 2.424 1.00 0.00 O ATOM 1688 CB VAL A 110 -6.688 -8.457 3.751 1.00 0.00 C ATOM 1689 CG1 VAL A 110 -5.815 -9.206 2.757 1.00 0.00 C ATOM 1690 CG2 VAL A 110 -5.863 -7.465 4.557 1.00 0.00 C ATOM 0 H VAL A 110 -8.306 -9.613 2.216 1.00 0.00 H new ATOM 0 HA VAL A 110 -8.456 -7.218 3.758 1.00 0.00 H new ATOM 0 HB VAL A 110 -7.116 -9.184 4.441 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -5.008 -9.709 3.289 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -6.417 -9.945 2.228 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -5.393 -8.502 2.040 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -5.054 -7.991 5.064 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -5.443 -6.713 3.889 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -6.499 -6.979 5.296 1.00 0.00 H new ATOM 1700 N ALA A 111 -7.065 -7.137 0.806 1.00 0.00 N ATOM 1701 CA ALA A 111 -6.513 -6.262 -0.221 1.00 0.00 C ATOM 1702 C ALA A 111 -7.497 -5.155 -0.585 1.00 0.00 C ATOM 1703 O ALA A 111 -7.123 -3.987 -0.682 1.00 0.00 O ATOM 1704 CB ALA A 111 -6.140 -7.067 -1.457 1.00 0.00 C ATOM 0 H ALA A 111 -7.288 -8.078 0.483 1.00 0.00 H new ATOM 0 HA ALA A 111 -5.613 -5.796 0.180 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -5.729 -6.400 -2.215 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -5.395 -7.817 -1.191 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -7.028 -7.561 -1.851 1.00 0.00 H new ATOM 1710 N GLN A 112 -8.756 -5.531 -0.786 1.00 0.00 N ATOM 1711 CA GLN A 112 -9.793 -4.570 -1.141 1.00 0.00 C ATOM 1712 C GLN A 112 -9.782 -3.380 -0.187 1.00 0.00 C ATOM 1713 O GLN A 112 -9.824 -2.227 -0.616 1.00 0.00 O ATOM 1714 CB GLN A 112 -11.168 -5.240 -1.123 1.00 0.00 C ATOM 1715 CG GLN A 112 -11.337 -6.310 -2.189 1.00 0.00 C ATOM 1716 CD GLN A 112 -12.742 -6.878 -2.229 1.00 0.00 C ATOM 1717 OE1 GLN A 112 -13.662 -6.332 -1.618 1.00 0.00 O ATOM 1718 NE2 GLN A 112 -12.916 -7.979 -2.950 1.00 0.00 N ATOM 0 H GLN A 112 -9.082 -6.494 -0.709 1.00 0.00 H new ATOM 0 HA GLN A 112 -9.587 -4.207 -2.148 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -11.333 -5.687 -0.142 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -11.936 -4.479 -1.259 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -11.092 -5.888 -3.164 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -10.628 -7.117 -2.004 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -12.126 -8.398 -3.440 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -13.840 -8.406 -3.014 1.00 0.00 H new ATOM 1727 N SER A 113 -9.725 -3.668 1.110 1.00 0.00 N ATOM 1728 CA SER A 113 -9.713 -2.622 2.125 1.00 0.00 C ATOM 1729 C SER A 113 -8.581 -1.631 1.871 1.00 0.00 C ATOM 1730 O SER A 113 -8.781 -0.417 1.920 1.00 0.00 O ATOM 1731 CB SER A 113 -9.564 -3.236 3.519 1.00 0.00 C ATOM 1732 OG SER A 113 -10.673 -4.059 3.834 1.00 0.00 O ATOM 0 H SER A 113 -9.686 -4.617 1.482 1.00 0.00 H new ATOM 0 HA SER A 113 -10.661 -2.087 2.070 1.00 0.00 H new ATOM 0 HB2 SER A 113 -8.647 -3.823 3.565 1.00 0.00 H new ATOM 0 HB3 SER A 113 -9.473 -2.443 4.261 1.00 0.00 H new ATOM 0 HG SER A 113 -10.553 -4.441 4.729 1.00 0.00 H new ATOM 1738 N TRP A 114 -7.393 -2.157 1.598 1.00 0.00 N ATOM 1739 CA TRP A 114 -6.228 -1.320 1.335 1.00 0.00 C ATOM 1740 C TRP A 114 -6.480 -0.392 0.151 1.00 0.00 C ATOM 1741 O TRP A 114 -6.384 0.828 0.277 1.00 0.00 O ATOM 1742 CB TRP A 114 -4.999 -2.189 1.064 1.00 0.00 C ATOM 1743 CG TRP A 114 -4.231 -2.535 2.303 1.00 0.00 C ATOM 1744 CD1 TRP A 114 -4.413 -3.627 3.103 1.00 0.00 C ATOM 1745 CD2 TRP A 114 -3.160 -1.783 2.885 1.00 0.00 C ATOM 1746 NE1 TRP A 114 -3.520 -3.599 4.147 1.00 0.00 N ATOM 1747 CE2 TRP A 114 -2.740 -2.479 4.036 1.00 0.00 C ATOM 1748 CE3 TRP A 114 -2.514 -0.591 2.545 1.00 0.00 C ATOM 1749 CZ2 TRP A 114 -1.705 -2.020 4.846 1.00 0.00 C ATOM 1750 CZ3 TRP A 114 -1.488 -0.137 3.351 1.00 0.00 C ATOM 1751 CH2 TRP A 114 -1.091 -0.850 4.490 1.00 0.00 C ATOM 0 H TRP A 114 -7.211 -3.160 1.553 1.00 0.00 H new ATOM 0 HA TRP A 114 -6.045 -0.710 2.219 1.00 0.00 H new ATOM 0 HB2 TRP A 114 -5.315 -3.109 0.572 1.00 0.00 H new ATOM 0 HB3 TRP A 114 -4.340 -1.667 0.370 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -5.150 -4.399 2.939 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -3.450 -4.299 4.885 1.00 0.00 H new ATOM 0 HE3 TRP A 114 -2.812 -0.035 1.668 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -1.397 -2.568 5.724 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 -0.983 0.784 3.099 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -0.285 -0.469 5.099 1.00 0.00 H new ATOM 1762 N GLU A 115 -6.804 -0.979 -0.997 1.00 0.00 N ATOM 1763 CA GLU A 115 -7.070 -0.203 -2.202 1.00 0.00 C ATOM 1764 C GLU A 115 -8.126 0.867 -1.939 1.00 0.00 C ATOM 1765 O GLU A 115 -8.004 2.003 -2.397 1.00 0.00 O ATOM 1766 CB GLU A 115 -7.530 -1.121 -3.336 1.00 0.00 C ATOM 1767 CG GLU A 115 -7.648 -0.419 -4.678 1.00 0.00 C ATOM 1768 CD GLU A 115 -6.471 0.492 -4.966 1.00 0.00 C ATOM 1769 OE1 GLU A 115 -5.344 0.154 -4.546 1.00 0.00 O ATOM 1770 OE2 GLU A 115 -6.675 1.541 -5.611 1.00 0.00 O ATOM 0 H GLU A 115 -6.888 -1.988 -1.118 1.00 0.00 H new ATOM 0 HA GLU A 115 -6.144 0.290 -2.497 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -6.827 -1.949 -3.429 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -8.497 -1.551 -3.074 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -7.727 -1.165 -5.468 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -8.568 0.165 -4.698 1.00 0.00 H new ATOM 1777 N LYS A 116 -9.164 0.495 -1.198 1.00 0.00 N ATOM 1778 CA LYS A 116 -10.243 1.420 -0.872 1.00 0.00 C ATOM 1779 C LYS A 116 -9.703 2.656 -0.160 1.00 0.00 C ATOM 1780 O LYS A 116 -10.141 3.776 -0.422 1.00 0.00 O ATOM 1781 CB LYS A 116 -11.288 0.728 0.006 1.00 0.00 C ATOM 1782 CG LYS A 116 -12.297 -0.092 -0.779 1.00 0.00 C ATOM 1783 CD LYS A 116 -13.610 -0.228 -0.029 1.00 0.00 C ATOM 1784 CE LYS A 116 -14.569 0.902 -0.373 1.00 0.00 C ATOM 1785 NZ LYS A 116 -14.979 0.864 -1.804 1.00 0.00 N ATOM 0 H LYS A 116 -9.281 -0.442 -0.811 1.00 0.00 H new ATOM 0 HA LYS A 116 -10.712 1.735 -1.804 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -10.779 0.078 0.717 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -11.819 1.482 0.587 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -12.476 0.379 -1.746 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -11.887 -1.082 -0.978 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -14.072 -1.185 -0.272 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -13.419 -0.230 1.044 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -15.453 0.833 0.260 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -14.095 1.859 -0.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -15.924 1.287 -1.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -14.296 1.401 -2.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -15.004 -0.123 -2.132 1.00 0.00 H new ATOM 1799 N ALA A 117 -8.748 2.445 0.740 1.00 0.00 N ATOM 1800 CA ALA A 117 -8.146 3.543 1.486 1.00 0.00 C ATOM 1801 C ALA A 117 -7.135 4.299 0.631 1.00 0.00 C ATOM 1802 O ALA A 117 -7.241 5.513 0.456 1.00 0.00 O ATOM 1803 CB ALA A 117 -7.484 3.020 2.752 1.00 0.00 C ATOM 0 H ALA A 117 -8.375 1.524 0.970 1.00 0.00 H new ATOM 0 HA ALA A 117 -8.938 4.238 1.764 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -7.038 3.851 3.299 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -8.231 2.532 3.378 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -6.708 2.302 2.487 1.00 0.00 H new ATOM 1809 N ILE A 118 -6.155 3.573 0.104 1.00 0.00 N ATOM 1810 CA ILE A 118 -5.124 4.176 -0.733 1.00 0.00 C ATOM 1811 C ILE A 118 -5.741 5.051 -1.819 1.00 0.00 C ATOM 1812 O ILE A 118 -5.314 6.186 -2.033 1.00 0.00 O ATOM 1813 CB ILE A 118 -4.238 3.104 -1.394 1.00 0.00 C ATOM 1814 CG1 ILE A 118 -3.523 2.273 -0.327 1.00 0.00 C ATOM 1815 CG2 ILE A 118 -3.230 3.754 -2.330 1.00 0.00 C ATOM 1816 CD1 ILE A 118 -2.770 1.087 -0.888 1.00 0.00 C ATOM 0 H ILE A 118 -6.053 2.567 0.241 1.00 0.00 H new ATOM 0 HA ILE A 118 -4.507 4.793 -0.080 1.00 0.00 H new ATOM 0 HB ILE A 118 -4.873 2.440 -1.980 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -2.826 2.913 0.213 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -4.256 1.918 0.397 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -2.611 2.984 -2.790 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -3.759 4.306 -3.107 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -2.597 4.438 -1.765 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -2.288 0.544 -0.075 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -3.466 0.425 -1.404 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -2.013 1.436 -1.590 1.00 0.00 H new ATOM 1828 N ARG A 119 -6.748 4.516 -2.502 1.00 0.00 N ATOM 1829 CA ARG A 119 -7.424 5.248 -3.566 1.00 0.00 C ATOM 1830 C ARG A 119 -8.119 6.489 -3.015 1.00 0.00 C ATOM 1831 O ARG A 119 -7.930 7.594 -3.522 1.00 0.00 O ATOM 1832 CB ARG A 119 -8.443 4.347 -4.266 1.00 0.00 C ATOM 1833 CG ARG A 119 -9.187 5.035 -5.399 1.00 0.00 C ATOM 1834 CD ARG A 119 -10.138 4.079 -6.102 1.00 0.00 C ATOM 1835 NE ARG A 119 -11.320 3.790 -5.295 1.00 0.00 N ATOM 1836 CZ ARG A 119 -12.466 3.351 -5.802 1.00 0.00 C ATOM 1837 NH1 ARG A 119 -12.585 3.151 -7.107 1.00 0.00 N ATOM 1838 NH2 ARG A 119 -13.498 3.111 -5.002 1.00 0.00 N ATOM 0 H ARG A 119 -7.114 3.578 -2.337 1.00 0.00 H new ATOM 0 HA ARG A 119 -6.673 5.565 -4.289 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -7.930 3.470 -4.660 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -9.165 3.991 -3.532 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -9.747 5.883 -5.006 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -8.471 5.432 -6.118 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -10.446 4.510 -7.055 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -9.616 3.149 -6.327 1.00 0.00 H new ATOM 0 HE ARG A 119 -11.262 3.933 -4.287 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -11.795 3.334 -7.725 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -13.467 2.814 -7.493 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -13.411 3.264 -3.997 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -14.378 2.774 -5.392 1.00 0.00 H new ATOM 1852 N GLN A 120 -8.925 6.297 -1.976 1.00 0.00 N ATOM 1853 CA GLN A 120 -9.649 7.401 -1.357 1.00 0.00 C ATOM 1854 C GLN A 120 -8.702 8.542 -1.001 1.00 0.00 C ATOM 1855 O GLN A 120 -8.996 9.709 -1.258 1.00 0.00 O ATOM 1856 CB GLN A 120 -10.382 6.920 -0.103 1.00 0.00 C ATOM 1857 CG GLN A 120 -11.601 7.756 0.248 1.00 0.00 C ATOM 1858 CD GLN A 120 -12.651 7.746 -0.846 1.00 0.00 C ATOM 1859 OE1 GLN A 120 -12.760 8.691 -1.627 1.00 0.00 O ATOM 1860 NE2 GLN A 120 -13.431 6.672 -0.908 1.00 0.00 N ATOM 0 H GLN A 120 -9.093 5.388 -1.545 1.00 0.00 H new ATOM 0 HA GLN A 120 -10.380 7.771 -2.076 1.00 0.00 H new ATOM 0 HB2 GLN A 120 -10.691 5.885 -0.248 1.00 0.00 H new ATOM 0 HB3 GLN A 120 -9.690 6.931 0.739 1.00 0.00 H new ATOM 0 HG2 GLN A 120 -12.041 7.380 1.172 1.00 0.00 H new ATOM 0 HG3 GLN A 120 -11.290 8.783 0.438 1.00 0.00 H new ATOM 0 HE21 GLN A 120 -13.306 5.911 -0.240 1.00 0.00 H new ATOM 0 HE22 GLN A 120 -14.155 6.608 -1.624 1.00 0.00 H new ATOM 1869 N ALA A 121 -7.564 8.197 -0.407 1.00 0.00 N ATOM 1870 CA ALA A 121 -6.573 9.192 -0.017 1.00 0.00 C ATOM 1871 C ALA A 121 -6.218 10.101 -1.188 1.00 0.00 C ATOM 1872 O ALA A 121 -6.076 11.314 -1.025 1.00 0.00 O ATOM 1873 CB ALA A 121 -5.324 8.510 0.522 1.00 0.00 C ATOM 0 H ALA A 121 -7.306 7.235 -0.185 1.00 0.00 H new ATOM 0 HA ALA A 121 -7.005 9.810 0.771 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -4.592 9.265 0.809 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -5.585 7.908 1.392 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -4.899 7.868 -0.249 1.00 0.00 H new ATOM 1879 N LEU A 122 -6.075 9.509 -2.369 1.00 0.00 N ATOM 1880 CA LEU A 122 -5.735 10.267 -3.568 1.00 0.00 C ATOM 1881 C LEU A 122 -6.509 11.580 -3.620 1.00 0.00 C ATOM 1882 O LEU A 122 -5.934 12.642 -3.858 1.00 0.00 O ATOM 1883 CB LEU A 122 -6.031 9.438 -4.819 1.00 0.00 C ATOM 1884 CG LEU A 122 -5.292 8.103 -4.930 1.00 0.00 C ATOM 1885 CD1 LEU A 122 -5.742 7.345 -6.170 1.00 0.00 C ATOM 1886 CD2 LEU A 122 -3.787 8.328 -4.957 1.00 0.00 C ATOM 0 H LEU A 122 -6.189 8.507 -2.522 1.00 0.00 H new ATOM 0 HA LEU A 122 -4.670 10.496 -3.534 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -7.103 9.241 -4.855 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -5.788 10.039 -5.695 1.00 0.00 H new ATOM 0 HG LEU A 122 -5.534 7.501 -4.054 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -5.206 6.398 -6.232 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -6.813 7.152 -6.110 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -5.530 7.941 -7.058 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -3.277 7.368 -5.036 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -3.527 8.949 -5.814 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -3.477 8.829 -4.040 1.00 0.00 H new