USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 577 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: X 14 LYS NZ :NH3+ 144:sc= -2.85! (180deg=-6.16!) USER MOD Set 1.2: X 73 ASN : amide:sc= -0.664 K(o=-3.5,f=-8.9!) USER MOD Single : X 6 CYS SG : rot 180:sc= 0 USER MOD Single : X 8 THR OG1 : rot 180:sc= 0 USER MOD Single : X 10 TYR OH : rot 180:sc= 0 USER MOD Single : X 12 ASN : amide:sc= -0.912 K(o=-0.91,f=-3.2!) USER MOD Single : X 15 TYR OH : rot 180:sc= 0 USER MOD Single : X 16 THR OG1 : rot 180:sc= -0.279 USER MOD Single : X 20 LYS NZ :NH3+ -162:sc= -0.0758 (180deg=-0.398) USER MOD Single : X 21 SER OG : rot 180:sc= 0 USER MOD Single : X 23 LYS NZ :NH3+ 172:sc=-0.00357 (180deg=-0.107) USER MOD Single : X 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 25 SER OG : rot -3:sc= 0.535 USER MOD Single : X 26 SER OG : rot 103:sc= 0.204 USER MOD Single : X 32 LYS NZ :NH3+ 160:sc= 1.17 (180deg=0.966) USER MOD Single : X 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 34 THR OG1 : rot 84:sc= 1.24 USER MOD Single : X 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 38 THR OG1 : rot 180:sc= 0.057 USER MOD Single : X 40 TYR OH : rot 180:sc= 0 USER MOD Single : X 42 TYR OH : rot 180:sc= 0.221 USER MOD Single : X 48 THR OG1 : rot 180:sc= 0 USER MOD Single : X 50 ASN : amide:sc= 0.617 K(o=0.62,f=0) USER MOD Single : X 51 LYS NZ :NH3+ 159:sc= 1.28 (180deg=1.25) USER MOD Single : X 54 TYR OH : rot 180:sc= 0 USER MOD Single : X 55 TYR OH : rot 180:sc= 0 USER MOD Single : X 56 ASN : amide:sc= 0.378 K(o=0.38,f=-1.7!) USER MOD Single : X 65 GLN : amide:sc= 0.315 K(o=0.32,f=-1) USER MOD Single : X 67 LYS NZ :NH3+ -138:sc= 1.3 (180deg=1.11) USER MOD Single : X 75 THR OG1 : rot -70:sc= 1.12 USER MOD Single : X 77 ASN : amide:sc= -3.73! C(o=-3.7!,f=-3.6!) USER MOD Single : X 78 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 72 N ASP X 5 -7.967 5.220 -0.582 1.00 0.00 N ATOM 73 CA ASP X 5 -7.016 6.033 -1.364 1.00 0.00 C ATOM 74 C ASP X 5 -6.851 5.374 -2.742 1.00 0.00 C ATOM 75 O ASP X 5 -7.481 4.338 -3.004 1.00 0.00 O ATOM 76 CB ASP X 5 -5.665 6.152 -0.636 1.00 0.00 C ATOM 77 CG ASP X 5 -4.949 7.425 -0.943 1.00 0.00 C ATOM 78 OD1 ASP X 5 -4.602 7.649 -2.096 1.00 0.00 O ATOM 79 OD2 ASP X 5 -4.746 8.239 -0.020 1.00 0.00 O ATOM 0 HA ASP X 5 -7.398 7.047 -1.483 1.00 0.00 H new ATOM 0 HB2 ASP X 5 -5.830 6.085 0.439 1.00 0.00 H new ATOM 0 HB3 ASP X 5 -5.033 5.309 -0.915 1.00 0.00 H new ATOM 84 N CYS X 6 -6.038 5.914 -3.601 1.00 0.00 N ATOM 85 CA CYS X 6 -5.943 5.337 -4.942 1.00 0.00 C ATOM 86 C CYS X 6 -4.648 4.588 -5.119 1.00 0.00 C ATOM 87 O CYS X 6 -3.625 5.188 -5.420 1.00 0.00 O ATOM 88 CB CYS X 6 -5.978 6.369 -6.048 1.00 0.00 C ATOM 89 SG CYS X 6 -7.032 7.836 -5.796 1.00 0.00 S ATOM 0 H CYS X 6 -5.444 6.724 -3.424 1.00 0.00 H new ATOM 0 HA CYS X 6 -6.813 4.684 -5.019 1.00 0.00 H new ATOM 0 HB2 CYS X 6 -4.958 6.713 -6.220 1.00 0.00 H new ATOM 0 HB3 CYS X 6 -6.305 5.872 -6.961 1.00 0.00 H new ATOM 0 HG CYS X 6 -6.945 8.616 -6.832 1.00 0.00 H new ATOM 94 N TRP X 7 -4.665 3.309 -4.970 1.00 0.00 N ATOM 95 CA TRP X 7 -3.448 2.585 -5.107 1.00 0.00 C ATOM 96 C TRP X 7 -3.531 1.799 -6.400 1.00 0.00 C ATOM 97 O TRP X 7 -4.522 1.115 -6.657 1.00 0.00 O ATOM 98 CB TRP X 7 -3.192 1.631 -3.887 1.00 0.00 C ATOM 99 CG TRP X 7 -3.887 2.012 -2.595 1.00 0.00 C ATOM 100 CD1 TRP X 7 -4.179 3.250 -2.143 1.00 0.00 C ATOM 101 CD2 TRP X 7 -4.330 1.125 -1.569 1.00 0.00 C ATOM 102 NE1 TRP X 7 -4.870 3.172 -0.985 1.00 0.00 N ATOM 103 CE2 TRP X 7 -4.941 1.897 -0.592 1.00 0.00 C ATOM 104 CE3 TRP X 7 -4.290 -0.239 -1.394 1.00 0.00 C ATOM 105 CZ2 TRP X 7 -5.505 1.352 0.532 1.00 0.00 C ATOM 106 CZ3 TRP X 7 -4.831 -0.784 -0.278 1.00 0.00 C ATOM 107 CH2 TRP X 7 -5.432 0.009 0.670 1.00 0.00 C ATOM 0 H TRP X 7 -5.491 2.750 -4.757 1.00 0.00 H new ATOM 0 HA TRP X 7 -2.608 3.279 -5.130 1.00 0.00 H new ATOM 0 HB2 TRP X 7 -3.507 0.625 -4.164 1.00 0.00 H new ATOM 0 HB3 TRP X 7 -2.119 1.589 -3.702 1.00 0.00 H new ATOM 0 HD1 TRP X 7 -3.900 4.170 -2.636 1.00 0.00 H new ATOM 0 HE1 TRP X 7 -5.275 3.965 -0.487 1.00 0.00 H new ATOM 0 HE3 TRP X 7 -3.831 -0.870 -2.140 1.00 0.00 H new ATOM 0 HZ2 TRP X 7 -5.987 1.969 1.276 1.00 0.00 H new ATOM 0 HZ3 TRP X 7 -4.790 -1.853 -0.132 1.00 0.00 H new ATOM 0 HH2 TRP X 7 -5.857 -0.453 1.549 1.00 0.00 H new ATOM 118 N THR X 8 -2.515 1.899 -7.194 1.00 0.00 N ATOM 119 CA THR X 8 -2.446 1.198 -8.455 1.00 0.00 C ATOM 120 C THR X 8 -1.520 0.006 -8.310 1.00 0.00 C ATOM 121 O THR X 8 -0.473 0.089 -7.631 1.00 0.00 O ATOM 122 CB THR X 8 -2.011 2.116 -9.647 1.00 0.00 C ATOM 123 OG1 THR X 8 -2.080 1.390 -10.891 1.00 0.00 O ATOM 124 CG2 THR X 8 -0.597 2.650 -9.469 1.00 0.00 C ATOM 0 H THR X 8 -1.696 2.473 -6.992 1.00 0.00 H new ATOM 0 HA THR X 8 -3.451 0.857 -8.703 1.00 0.00 H new ATOM 0 HB THR X 8 -2.700 2.960 -9.665 1.00 0.00 H new ATOM 0 HG1 THR X 8 -1.807 1.976 -11.627 1.00 0.00 H new ATOM 0 HG21 THR X 8 -0.337 3.282 -10.318 1.00 0.00 H new ATOM 0 HG22 THR X 8 -0.542 3.236 -8.551 1.00 0.00 H new ATOM 0 HG23 THR X 8 0.102 1.816 -9.410 1.00 0.00 H new ATOM 132 N PHE X 9 -1.944 -1.115 -8.834 1.00 0.00 N ATOM 133 CA PHE X 9 -1.215 -2.317 -8.662 1.00 0.00 C ATOM 134 C PHE X 9 -0.078 -2.434 -9.637 1.00 0.00 C ATOM 135 O PHE X 9 -0.270 -2.313 -10.851 1.00 0.00 O ATOM 136 CB PHE X 9 -2.099 -3.552 -8.778 1.00 0.00 C ATOM 137 CG PHE X 9 -1.480 -4.640 -8.009 1.00 0.00 C ATOM 138 CD1 PHE X 9 -1.343 -4.442 -6.688 1.00 0.00 C ATOM 139 CD2 PHE X 9 -0.967 -5.783 -8.578 1.00 0.00 C ATOM 140 CE1 PHE X 9 -0.727 -5.329 -5.892 1.00 0.00 C ATOM 141 CE2 PHE X 9 -0.316 -6.703 -7.780 1.00 0.00 C ATOM 142 CZ PHE X 9 -0.201 -6.459 -6.417 1.00 0.00 C ATOM 0 H PHE X 9 -2.798 -1.207 -9.385 1.00 0.00 H new ATOM 0 HA PHE X 9 -0.811 -2.269 -7.651 1.00 0.00 H new ATOM 0 HB2 PHE X 9 -3.098 -3.340 -8.398 1.00 0.00 H new ATOM 0 HB3 PHE X 9 -2.210 -3.842 -9.823 1.00 0.00 H new ATOM 0 HD1 PHE X 9 -1.742 -3.538 -6.252 1.00 0.00 H new ATOM 0 HD2 PHE X 9 -1.072 -5.959 -9.638 1.00 0.00 H new ATOM 0 HE1 PHE X 9 -0.651 -5.141 -4.831 1.00 0.00 H new ATOM 0 HE2 PHE X 9 0.099 -7.602 -8.211 1.00 0.00 H new ATOM 0 HZ PHE X 9 0.306 -7.168 -5.780 1.00 0.00 H new ATOM 152 N TYR X 10 1.098 -2.673 -9.116 1.00 0.00 N ATOM 153 CA TYR X 10 2.229 -2.919 -9.952 1.00 0.00 C ATOM 154 C TYR X 10 2.414 -4.431 -10.098 1.00 0.00 C ATOM 155 O TYR X 10 2.253 -4.972 -11.193 1.00 0.00 O ATOM 156 CB TYR X 10 3.501 -2.230 -9.409 1.00 0.00 C ATOM 157 CG TYR X 10 4.712 -2.401 -10.306 1.00 0.00 C ATOM 158 CD1 TYR X 10 4.887 -1.609 -11.436 1.00 0.00 C ATOM 159 CD2 TYR X 10 5.673 -3.356 -10.028 1.00 0.00 C ATOM 160 CE1 TYR X 10 5.987 -1.775 -12.260 1.00 0.00 C ATOM 161 CE2 TYR X 10 6.769 -3.523 -10.842 1.00 0.00 C ATOM 162 CZ TYR X 10 6.924 -2.737 -11.954 1.00 0.00 C ATOM 163 OH TYR X 10 8.024 -2.920 -12.770 1.00 0.00 O ATOM 0 H TYR X 10 1.291 -2.701 -8.115 1.00 0.00 H new ATOM 0 HA TYR X 10 2.051 -2.486 -10.937 1.00 0.00 H new ATOM 0 HB2 TYR X 10 3.301 -1.166 -9.280 1.00 0.00 H new ATOM 0 HB3 TYR X 10 3.730 -2.633 -8.422 1.00 0.00 H new ATOM 0 HD1 TYR X 10 4.153 -0.853 -11.674 1.00 0.00 H new ATOM 0 HD2 TYR X 10 5.561 -3.982 -9.155 1.00 0.00 H new ATOM 0 HE1 TYR X 10 6.109 -1.155 -13.136 1.00 0.00 H new ATOM 0 HE2 TYR X 10 7.508 -4.274 -10.605 1.00 0.00 H new ATOM 0 HH TYR X 10 8.584 -3.638 -12.408 1.00 0.00 H new ATOM 173 N ALA X 11 2.683 -5.106 -8.980 1.00 0.00 N ATOM 174 CA ALA X 11 2.928 -6.550 -8.939 1.00 0.00 C ATOM 175 C ALA X 11 3.145 -6.931 -7.492 1.00 0.00 C ATOM 176 O ALA X 11 3.327 -6.037 -6.660 1.00 0.00 O ATOM 177 CB ALA X 11 4.149 -6.930 -9.773 1.00 0.00 C ATOM 0 H ALA X 11 2.738 -4.660 -8.064 1.00 0.00 H new ATOM 0 HA ALA X 11 2.075 -7.083 -9.360 1.00 0.00 H new ATOM 0 HB1 ALA X 11 4.304 -8.008 -9.722 1.00 0.00 H new ATOM 0 HB2 ALA X 11 3.987 -6.636 -10.810 1.00 0.00 H new ATOM 0 HB3 ALA X 11 5.029 -6.418 -9.384 1.00 0.00 H new ATOM 183 N ASN X 12 3.070 -8.209 -7.143 1.00 0.00 N ATOM 184 CA ASN X 12 3.363 -8.558 -5.773 1.00 0.00 C ATOM 185 C ASN X 12 4.844 -8.626 -5.661 1.00 0.00 C ATOM 186 O ASN X 12 5.495 -9.412 -6.346 1.00 0.00 O ATOM 187 CB ASN X 12 2.840 -9.964 -5.455 1.00 0.00 C ATOM 188 CG ASN X 12 1.349 -10.060 -5.399 1.00 0.00 C ATOM 189 OD1 ASN X 12 0.628 -9.366 -6.092 1.00 0.00 O ATOM 190 ND2 ASN X 12 0.865 -10.890 -4.552 1.00 0.00 N ATOM 0 H ASN X 12 2.821 -8.982 -7.760 1.00 0.00 H new ATOM 0 HA ASN X 12 2.907 -7.831 -5.101 1.00 0.00 H new ATOM 0 HB2 ASN X 12 3.210 -10.658 -6.210 1.00 0.00 H new ATOM 0 HB3 ASN X 12 3.251 -10.285 -4.498 1.00 0.00 H new ATOM 0 HD21 ASN X 12 -0.146 -10.980 -4.447 1.00 0.00 H new ATOM 0 HD22 ASN X 12 1.490 -11.461 -3.983 1.00 0.00 H new ATOM 197 N ARG X 13 5.384 -7.789 -4.835 1.00 0.00 N ATOM 198 CA ARG X 13 6.800 -7.716 -4.623 1.00 0.00 C ATOM 199 C ARG X 13 7.120 -7.144 -3.278 1.00 0.00 C ATOM 200 O ARG X 13 6.227 -6.623 -2.606 1.00 0.00 O ATOM 201 CB ARG X 13 7.508 -6.984 -5.760 1.00 0.00 C ATOM 202 CG ARG X 13 6.876 -5.671 -6.165 1.00 0.00 C ATOM 203 CD ARG X 13 7.578 -5.103 -7.374 1.00 0.00 C ATOM 204 NE ARG X 13 7.612 -6.071 -8.485 1.00 0.00 N ATOM 205 CZ ARG X 13 8.530 -6.101 -9.456 1.00 0.00 C ATOM 206 NH1 ARG X 13 9.494 -5.193 -9.502 1.00 0.00 N ATOM 207 NH2 ARG X 13 8.470 -7.035 -10.383 1.00 0.00 N ATOM 0 H ARG X 13 4.847 -7.124 -4.278 1.00 0.00 H new ATOM 0 HA ARG X 13 7.189 -8.734 -4.631 1.00 0.00 H new ATOM 0 HB2 ARG X 13 8.541 -6.797 -5.465 1.00 0.00 H new ATOM 0 HB3 ARG X 13 7.539 -7.639 -6.631 1.00 0.00 H new ATOM 0 HG2 ARG X 13 5.819 -5.821 -6.387 1.00 0.00 H new ATOM 0 HG3 ARG X 13 6.931 -4.963 -5.338 1.00 0.00 H new ATOM 0 HD2 ARG X 13 7.070 -4.195 -7.697 1.00 0.00 H new ATOM 0 HD3 ARG X 13 8.596 -4.820 -7.105 1.00 0.00 H new ATOM 0 HE ARG X 13 6.875 -6.775 -8.515 1.00 0.00 H new ATOM 0 HH11 ARG X 13 9.540 -4.462 -8.792 1.00 0.00 H new ATOM 0 HH12 ARG X 13 10.190 -5.225 -10.247 1.00 0.00 H new ATOM 0 HH21 ARG X 13 7.725 -7.731 -10.358 1.00 0.00 H new ATOM 0 HH22 ARG X 13 9.168 -7.062 -11.126 1.00 0.00 H new ATOM 221 N LYS X 14 8.355 -7.309 -2.837 1.00 0.00 N ATOM 222 CA LYS X 14 8.807 -6.651 -1.643 1.00 0.00 C ATOM 223 C LYS X 14 10.309 -6.574 -1.557 1.00 0.00 C ATOM 224 O LYS X 14 10.992 -7.550 -1.805 1.00 0.00 O ATOM 225 CB LYS X 14 8.353 -7.396 -0.528 1.00 0.00 C ATOM 226 CG LYS X 14 8.400 -6.642 0.737 1.00 0.00 C ATOM 227 CD LYS X 14 7.613 -7.413 1.704 1.00 0.00 C ATOM 228 CE LYS X 14 6.175 -7.599 1.236 1.00 0.00 C ATOM 229 NZ LYS X 14 5.931 -9.016 0.789 1.00 0.00 N ATOM 0 H LYS X 14 9.055 -7.894 -3.293 1.00 0.00 H new ATOM 0 HA LYS X 14 8.413 -5.635 -1.658 1.00 0.00 H new ATOM 0 HB2 LYS X 14 7.329 -7.722 -0.711 1.00 0.00 H new ATOM 0 HB3 LYS X 14 8.961 -8.295 -0.429 1.00 0.00 H new ATOM 0 HG2 LYS X 14 9.428 -6.521 1.080 1.00 0.00 H new ATOM 0 HG3 LYS X 14 7.987 -5.641 0.609 1.00 0.00 H new ATOM 0 HD2 LYS X 14 8.076 -8.388 1.856 1.00 0.00 H new ATOM 0 HD3 LYS X 14 7.620 -6.904 2.668 1.00 0.00 H new ATOM 0 HE2 LYS X 14 5.490 -7.346 2.045 1.00 0.00 H new ATOM 0 HE3 LYS X 14 5.965 -6.914 0.415 1.00 0.00 H new ATOM 0 HZ1 LYS X 14 4.966 -9.302 1.052 1.00 0.00 H new ATOM 0 HZ2 LYS X 14 6.042 -9.078 -0.243 1.00 0.00 H new ATOM 0 HZ3 LYS X 14 6.617 -9.648 1.249 1.00 0.00 H new ATOM 243 N TYR X 15 10.833 -5.453 -1.142 1.00 0.00 N ATOM 244 CA TYR X 15 12.249 -5.340 -1.018 1.00 0.00 C ATOM 245 C TYR X 15 12.740 -5.923 0.315 1.00 0.00 C ATOM 246 O TYR X 15 12.985 -5.201 1.288 1.00 0.00 O ATOM 247 CB TYR X 15 12.757 -3.911 -1.246 1.00 0.00 C ATOM 248 CG TYR X 15 14.263 -3.839 -1.334 1.00 0.00 C ATOM 249 CD1 TYR X 15 14.919 -4.284 -2.469 1.00 0.00 C ATOM 250 CD2 TYR X 15 15.029 -3.360 -0.280 1.00 0.00 C ATOM 251 CE1 TYR X 15 16.289 -4.251 -2.558 1.00 0.00 C ATOM 252 CE2 TYR X 15 16.403 -3.326 -0.360 1.00 0.00 C ATOM 253 CZ TYR X 15 17.027 -3.773 -1.505 1.00 0.00 C ATOM 254 OH TYR X 15 18.395 -3.737 -1.597 1.00 0.00 O ATOM 0 H TYR X 15 10.304 -4.619 -0.888 1.00 0.00 H new ATOM 0 HA TYR X 15 12.682 -5.939 -1.819 1.00 0.00 H new ATOM 0 HB2 TYR X 15 12.323 -3.517 -2.165 1.00 0.00 H new ATOM 0 HB3 TYR X 15 12.413 -3.273 -0.432 1.00 0.00 H new ATOM 0 HD1 TYR X 15 14.343 -4.664 -3.300 1.00 0.00 H new ATOM 0 HD2 TYR X 15 14.540 -3.009 0.616 1.00 0.00 H new ATOM 0 HE1 TYR X 15 16.783 -4.600 -3.453 1.00 0.00 H new ATOM 0 HE2 TYR X 15 16.987 -2.952 0.468 1.00 0.00 H new ATOM 0 HH TYR X 15 18.769 -3.371 -0.769 1.00 0.00 H new ATOM 264 N THR X 16 12.746 -7.245 0.366 1.00 0.00 N ATOM 265 CA THR X 16 13.322 -8.073 1.434 1.00 0.00 C ATOM 266 C THR X 16 12.626 -8.031 2.819 1.00 0.00 C ATOM 267 O THR X 16 12.345 -9.092 3.398 1.00 0.00 O ATOM 268 CB THR X 16 14.880 -7.952 1.546 1.00 0.00 C ATOM 269 OG1 THR X 16 15.302 -6.575 1.642 1.00 0.00 O ATOM 270 CG2 THR X 16 15.559 -8.607 0.347 1.00 0.00 C ATOM 0 H THR X 16 12.328 -7.809 -0.374 1.00 0.00 H new ATOM 0 HA THR X 16 13.091 -9.077 1.077 1.00 0.00 H new ATOM 0 HB THR X 16 15.177 -8.468 2.459 1.00 0.00 H new ATOM 0 HG1 THR X 16 16.279 -6.536 1.712 1.00 0.00 H new ATOM 0 HG21 THR X 16 16.640 -8.512 0.444 1.00 0.00 H new ATOM 0 HG22 THR X 16 15.290 -9.662 0.308 1.00 0.00 H new ATOM 0 HG23 THR X 16 15.233 -8.115 -0.569 1.00 0.00 H new ATOM 278 N ASP X 17 12.317 -6.856 3.328 1.00 0.00 N ATOM 279 CA ASP X 17 11.747 -6.721 4.658 1.00 0.00 C ATOM 280 C ASP X 17 10.990 -5.406 4.753 1.00 0.00 C ATOM 281 O ASP X 17 11.181 -4.514 3.926 1.00 0.00 O ATOM 282 CB ASP X 17 12.881 -6.805 5.718 1.00 0.00 C ATOM 283 CG ASP X 17 12.423 -6.648 7.163 1.00 0.00 C ATOM 284 OD1 ASP X 17 11.301 -7.081 7.508 1.00 0.00 O ATOM 285 OD2 ASP X 17 13.168 -6.061 7.974 1.00 0.00 O ATOM 0 H ASP X 17 12.452 -5.972 2.838 1.00 0.00 H new ATOM 0 HA ASP X 17 11.043 -7.531 4.851 1.00 0.00 H new ATOM 0 HB2 ASP X 17 13.385 -7.766 5.614 1.00 0.00 H new ATOM 0 HB3 ASP X 17 13.619 -6.033 5.501 1.00 0.00 H new ATOM 290 N PHE X 18 10.168 -5.286 5.762 1.00 0.00 N ATOM 291 CA PHE X 18 9.333 -4.111 6.017 1.00 0.00 C ATOM 292 C PHE X 18 10.105 -3.057 6.810 1.00 0.00 C ATOM 293 O PHE X 18 9.522 -2.282 7.579 1.00 0.00 O ATOM 294 CB PHE X 18 8.075 -4.522 6.792 1.00 0.00 C ATOM 295 CG PHE X 18 7.125 -5.362 6.001 1.00 0.00 C ATOM 296 CD1 PHE X 18 6.384 -4.787 4.998 1.00 0.00 C ATOM 297 CD2 PHE X 18 6.956 -6.709 6.265 1.00 0.00 C ATOM 298 CE1 PHE X 18 5.490 -5.517 4.262 1.00 0.00 C ATOM 299 CE2 PHE X 18 6.057 -7.456 5.527 1.00 0.00 C ATOM 300 CZ PHE X 18 5.323 -6.849 4.521 1.00 0.00 C ATOM 0 H PHE X 18 10.047 -6.020 6.460 1.00 0.00 H new ATOM 0 HA PHE X 18 9.045 -3.681 5.058 1.00 0.00 H new ATOM 0 HB2 PHE X 18 8.373 -5.071 7.685 1.00 0.00 H new ATOM 0 HB3 PHE X 18 7.557 -3.624 7.128 1.00 0.00 H new ATOM 0 HD1 PHE X 18 6.509 -3.736 4.785 1.00 0.00 H new ATOM 0 HD2 PHE X 18 7.529 -7.179 7.051 1.00 0.00 H new ATOM 0 HE1 PHE X 18 4.918 -5.042 3.479 1.00 0.00 H new ATOM 0 HE2 PHE X 18 5.927 -8.508 5.734 1.00 0.00 H new ATOM 0 HZ PHE X 18 4.619 -7.428 3.942 1.00 0.00 H new ATOM 310 N ASP X 19 11.397 -2.978 6.540 1.00 0.00 N ATOM 311 CA ASP X 19 12.325 -2.073 7.229 1.00 0.00 C ATOM 312 C ASP X 19 11.900 -0.614 7.026 1.00 0.00 C ATOM 313 O ASP X 19 12.116 0.243 7.883 1.00 0.00 O ATOM 314 CB ASP X 19 13.737 -2.296 6.680 1.00 0.00 C ATOM 315 CG ASP X 19 14.813 -1.598 7.480 1.00 0.00 C ATOM 316 OD1 ASP X 19 15.094 -0.413 7.239 1.00 0.00 O ATOM 317 OD2 ASP X 19 15.423 -2.245 8.344 1.00 0.00 O ATOM 0 H ASP X 19 11.847 -3.548 5.824 1.00 0.00 H new ATOM 0 HA ASP X 19 12.311 -2.284 8.298 1.00 0.00 H new ATOM 0 HB2 ASP X 19 13.946 -3.366 6.661 1.00 0.00 H new ATOM 0 HB3 ASP X 19 13.777 -1.945 5.649 1.00 0.00 H new ATOM 322 N LYS X 20 11.214 -0.375 5.910 1.00 0.00 N ATOM 323 CA LYS X 20 10.714 0.949 5.520 1.00 0.00 C ATOM 324 C LYS X 20 9.627 1.500 6.452 1.00 0.00 C ATOM 325 O LYS X 20 9.205 2.621 6.279 1.00 0.00 O ATOM 326 CB LYS X 20 10.227 0.928 4.071 1.00 0.00 C ATOM 327 CG LYS X 20 11.345 0.703 3.070 1.00 0.00 C ATOM 328 CD LYS X 20 12.265 1.914 2.992 1.00 0.00 C ATOM 329 CE LYS X 20 13.502 1.621 2.166 1.00 0.00 C ATOM 330 NZ LYS X 20 14.340 0.562 2.775 1.00 0.00 N ATOM 0 H LYS X 20 10.984 -1.106 5.237 1.00 0.00 H new ATOM 0 HA LYS X 20 11.558 1.633 5.612 1.00 0.00 H new ATOM 0 HB2 LYS X 20 9.481 0.142 3.956 1.00 0.00 H new ATOM 0 HB3 LYS X 20 9.731 1.873 3.847 1.00 0.00 H new ATOM 0 HG2 LYS X 20 11.921 -0.177 3.356 1.00 0.00 H new ATOM 0 HG3 LYS X 20 10.921 0.501 2.086 1.00 0.00 H new ATOM 0 HD2 LYS X 20 11.725 2.754 2.555 1.00 0.00 H new ATOM 0 HD3 LYS X 20 12.560 2.213 3.998 1.00 0.00 H new ATOM 0 HE2 LYS X 20 13.204 1.315 1.163 1.00 0.00 H new ATOM 0 HE3 LYS X 20 14.091 2.532 2.059 1.00 0.00 H new ATOM 0 HZ1 LYS X 20 15.297 0.600 2.369 1.00 0.00 H new ATOM 0 HZ2 LYS X 20 14.394 0.710 3.803 1.00 0.00 H new ATOM 0 HZ3 LYS X 20 13.918 -0.369 2.581 1.00 0.00 H new ATOM 344 N SER X 21 9.203 0.694 7.429 1.00 0.00 N ATOM 345 CA SER X 21 8.249 1.086 8.471 1.00 0.00 C ATOM 346 C SER X 21 6.782 1.127 8.005 1.00 0.00 C ATOM 347 O SER X 21 6.254 2.158 7.500 1.00 0.00 O ATOM 348 CB SER X 21 8.691 2.360 9.192 1.00 0.00 C ATOM 349 OG SER X 21 10.025 2.190 9.679 1.00 0.00 O ATOM 0 H SER X 21 9.520 -0.271 7.520 1.00 0.00 H new ATOM 0 HA SER X 21 8.267 0.282 9.207 1.00 0.00 H new ATOM 0 HB2 SER X 21 8.646 3.211 8.512 1.00 0.00 H new ATOM 0 HB3 SER X 21 8.015 2.577 10.019 1.00 0.00 H new ATOM 0 HG SER X 21 10.311 3.006 10.140 1.00 0.00 H new ATOM 355 N PHE X 22 6.144 -0.017 8.141 1.00 0.00 N ATOM 356 CA PHE X 22 4.760 -0.206 7.787 1.00 0.00 C ATOM 357 C PHE X 22 4.070 -0.739 9.016 1.00 0.00 C ATOM 358 O PHE X 22 4.666 -1.521 9.761 1.00 0.00 O ATOM 359 CB PHE X 22 4.604 -1.262 6.674 1.00 0.00 C ATOM 360 CG PHE X 22 5.218 -0.924 5.342 1.00 0.00 C ATOM 361 CD1 PHE X 22 5.800 0.298 5.106 1.00 0.00 C ATOM 362 CD2 PHE X 22 5.193 -1.839 4.327 1.00 0.00 C ATOM 363 CE1 PHE X 22 6.346 0.602 3.906 1.00 0.00 C ATOM 364 CE2 PHE X 22 5.740 -1.550 3.108 1.00 0.00 C ATOM 365 CZ PHE X 22 6.320 -0.329 2.890 1.00 0.00 C ATOM 0 H PHE X 22 6.587 -0.858 8.510 1.00 0.00 H new ATOM 0 HA PHE X 22 4.343 0.737 7.434 1.00 0.00 H new ATOM 0 HB2 PHE X 22 5.042 -2.196 7.025 1.00 0.00 H new ATOM 0 HB3 PHE X 22 3.540 -1.446 6.523 1.00 0.00 H new ATOM 0 HD1 PHE X 22 5.822 1.033 5.897 1.00 0.00 H new ATOM 0 HD2 PHE X 22 4.735 -2.803 4.490 1.00 0.00 H new ATOM 0 HE1 PHE X 22 6.800 1.569 3.745 1.00 0.00 H new ATOM 0 HE2 PHE X 22 5.715 -2.285 2.317 1.00 0.00 H new ATOM 0 HZ PHE X 22 6.754 -0.097 1.929 1.00 0.00 H new ATOM 375 N LYS X 23 2.864 -0.332 9.255 1.00 0.00 N ATOM 376 CA LYS X 23 2.139 -0.823 10.419 1.00 0.00 C ATOM 377 C LYS X 23 1.026 -1.744 9.982 1.00 0.00 C ATOM 378 O LYS X 23 0.408 -1.517 8.933 1.00 0.00 O ATOM 379 CB LYS X 23 1.571 0.312 11.302 1.00 0.00 C ATOM 380 CG LYS X 23 2.582 1.112 12.140 1.00 0.00 C ATOM 381 CD LYS X 23 3.599 1.872 11.303 1.00 0.00 C ATOM 382 CE LYS X 23 4.522 2.721 12.165 1.00 0.00 C ATOM 383 NZ LYS X 23 5.283 1.924 13.150 1.00 0.00 N ATOM 0 H LYS X 23 2.351 0.332 8.675 1.00 0.00 H new ATOM 0 HA LYS X 23 2.857 -1.368 11.031 1.00 0.00 H new ATOM 0 HB2 LYS X 23 1.038 1.010 10.656 1.00 0.00 H new ATOM 0 HB3 LYS X 23 0.835 -0.121 11.980 1.00 0.00 H new ATOM 0 HG2 LYS X 23 2.041 1.819 12.770 1.00 0.00 H new ATOM 0 HG3 LYS X 23 3.109 0.430 12.807 1.00 0.00 H new ATOM 0 HD2 LYS X 23 4.192 1.165 10.723 1.00 0.00 H new ATOM 0 HD3 LYS X 23 3.078 2.511 10.590 1.00 0.00 H new ATOM 0 HE2 LYS X 23 5.220 3.257 11.522 1.00 0.00 H new ATOM 0 HE3 LYS X 23 3.932 3.472 12.691 1.00 0.00 H new ATOM 0 HZ1 LYS X 23 5.990 2.529 13.614 1.00 0.00 H new ATOM 0 HZ2 LYS X 23 4.632 1.542 13.865 1.00 0.00 H new ATOM 0 HZ3 LYS X 23 5.764 1.140 12.665 1.00 0.00 H new ATOM 397 N LYS X 24 0.787 -2.774 10.756 1.00 0.00 N ATOM 398 CA LYS X 24 -0.234 -3.735 10.464 1.00 0.00 C ATOM 399 C LYS X 24 -1.058 -4.052 11.678 1.00 0.00 C ATOM 400 O LYS X 24 -0.547 -4.365 12.751 1.00 0.00 O ATOM 401 CB LYS X 24 0.380 -5.036 9.893 1.00 0.00 C ATOM 402 CG LYS X 24 -0.593 -6.233 9.657 1.00 0.00 C ATOM 403 CD LYS X 24 -0.837 -7.116 10.886 1.00 0.00 C ATOM 404 CE LYS X 24 0.454 -7.746 11.404 1.00 0.00 C ATOM 405 NZ LYS X 24 0.197 -8.725 12.480 1.00 0.00 N ATOM 0 H LYS X 24 1.304 -2.966 11.614 1.00 0.00 H new ATOM 0 HA LYS X 24 -0.888 -3.291 9.713 1.00 0.00 H new ATOM 0 HB2 LYS X 24 0.859 -4.796 8.944 1.00 0.00 H new ATOM 0 HB3 LYS X 24 1.166 -5.367 10.572 1.00 0.00 H new ATOM 0 HG2 LYS X 24 -1.550 -5.842 9.312 1.00 0.00 H new ATOM 0 HG3 LYS X 24 -0.195 -6.854 8.855 1.00 0.00 H new ATOM 0 HD2 LYS X 24 -1.292 -6.519 11.677 1.00 0.00 H new ATOM 0 HD3 LYS X 24 -1.548 -7.903 10.632 1.00 0.00 H new ATOM 0 HE2 LYS X 24 0.973 -8.239 10.582 1.00 0.00 H new ATOM 0 HE3 LYS X 24 1.116 -6.964 11.776 1.00 0.00 H new ATOM 0 HZ1 LYS X 24 1.099 -9.130 12.804 1.00 0.00 H new ATOM 0 HZ2 LYS X 24 -0.275 -8.250 13.276 1.00 0.00 H new ATOM 0 HZ3 LYS X 24 -0.414 -9.485 12.119 1.00 0.00 H new ATOM 419 N SER X 25 -2.295 -3.899 11.502 1.00 0.00 N ATOM 420 CA SER X 25 -3.323 -4.398 12.339 1.00 0.00 C ATOM 421 C SER X 25 -4.396 -4.542 11.321 1.00 0.00 C ATOM 422 O SER X 25 -4.608 -3.579 10.558 1.00 0.00 O ATOM 423 CB SER X 25 -3.692 -3.369 13.421 1.00 0.00 C ATOM 424 OG SER X 25 -2.538 -2.995 14.185 1.00 0.00 O ATOM 0 H SER X 25 -2.662 -3.379 10.705 1.00 0.00 H new ATOM 0 HA SER X 25 -3.092 -5.304 12.900 1.00 0.00 H new ATOM 0 HB2 SER X 25 -4.127 -2.485 12.955 1.00 0.00 H new ATOM 0 HB3 SER X 25 -4.451 -3.787 14.082 1.00 0.00 H new ATOM 0 HG SER X 25 -1.765 -3.519 13.888 1.00 0.00 H new ATOM 430 N SER X 26 -5.058 -5.647 11.224 1.00 0.00 N ATOM 431 CA SER X 26 -5.872 -5.762 10.079 1.00 0.00 C ATOM 432 C SER X 26 -7.297 -5.382 10.298 1.00 0.00 C ATOM 433 O SER X 26 -8.115 -6.104 10.870 1.00 0.00 O ATOM 434 CB SER X 26 -5.683 -7.104 9.410 1.00 0.00 C ATOM 435 OG SER X 26 -4.304 -7.252 9.061 1.00 0.00 O ATOM 0 H SER X 26 -5.052 -6.430 11.878 1.00 0.00 H new ATOM 0 HA SER X 26 -5.526 -5.008 9.372 1.00 0.00 H new ATOM 0 HB2 SER X 26 -5.992 -7.907 10.080 1.00 0.00 H new ATOM 0 HB3 SER X 26 -6.308 -7.174 8.520 1.00 0.00 H new ATOM 0 HG SER X 26 -3.866 -7.848 9.704 1.00 0.00 H new ATOM 441 N ASP X 27 -7.523 -4.194 9.862 1.00 0.00 N ATOM 442 CA ASP X 27 -8.768 -3.542 9.725 1.00 0.00 C ATOM 443 C ASP X 27 -8.678 -3.056 8.351 1.00 0.00 C ATOM 444 O ASP X 27 -8.046 -2.030 8.128 1.00 0.00 O ATOM 445 CB ASP X 27 -8.855 -2.341 10.647 1.00 0.00 C ATOM 446 CG ASP X 27 -8.576 -2.621 12.107 1.00 0.00 C ATOM 447 OD1 ASP X 27 -9.449 -3.165 12.815 1.00 0.00 O ATOM 448 OD2 ASP X 27 -7.479 -2.252 12.591 1.00 0.00 O ATOM 0 H ASP X 27 -6.754 -3.595 9.562 1.00 0.00 H new ATOM 0 HA ASP X 27 -9.622 -4.181 9.952 1.00 0.00 H new ATOM 0 HB2 ASP X 27 -8.151 -1.585 10.299 1.00 0.00 H new ATOM 0 HB3 ASP X 27 -9.853 -1.910 10.562 1.00 0.00 H new ATOM 453 N LEU X 28 -9.187 -3.805 7.408 1.00 0.00 N ATOM 454 CA LEU X 28 -8.997 -3.466 6.005 1.00 0.00 C ATOM 455 C LEU X 28 -9.443 -2.063 5.725 1.00 0.00 C ATOM 456 O LEU X 28 -8.711 -1.300 5.122 1.00 0.00 O ATOM 457 CB LEU X 28 -9.639 -4.484 5.038 1.00 0.00 C ATOM 458 CG LEU X 28 -8.903 -5.834 4.824 1.00 0.00 C ATOM 459 CD1 LEU X 28 -7.530 -5.615 4.206 1.00 0.00 C ATOM 460 CD2 LEU X 28 -8.775 -6.625 6.116 1.00 0.00 C ATOM 0 H LEU X 28 -9.734 -4.650 7.575 1.00 0.00 H new ATOM 0 HA LEU X 28 -7.925 -3.522 5.814 1.00 0.00 H new ATOM 0 HB2 LEU X 28 -10.644 -4.703 5.399 1.00 0.00 H new ATOM 0 HB3 LEU X 28 -9.747 -4.002 4.066 1.00 0.00 H new ATOM 0 HG LEU X 28 -9.511 -6.419 4.134 1.00 0.00 H new ATOM 0 HD11 LEU X 28 -7.036 -6.577 4.067 1.00 0.00 H new ATOM 0 HD12 LEU X 28 -7.640 -5.121 3.241 1.00 0.00 H new ATOM 0 HD13 LEU X 28 -6.929 -4.991 4.867 1.00 0.00 H new ATOM 0 HD21 LEU X 28 -8.254 -7.562 5.919 1.00 0.00 H new ATOM 0 HD22 LEU X 28 -8.211 -6.043 6.845 1.00 0.00 H new ATOM 0 HD23 LEU X 28 -9.768 -6.838 6.512 1.00 0.00 H new ATOM 472 N ASP X 29 -10.606 -1.724 6.207 1.00 0.00 N ATOM 473 CA ASP X 29 -11.127 -0.379 6.141 1.00 0.00 C ATOM 474 C ASP X 29 -10.281 0.636 6.884 1.00 0.00 C ATOM 475 O ASP X 29 -9.897 1.668 6.307 1.00 0.00 O ATOM 476 CB ASP X 29 -12.505 -0.339 6.702 1.00 0.00 C ATOM 477 CG ASP X 29 -12.747 -1.316 7.821 1.00 0.00 C ATOM 478 OD1 ASP X 29 -12.368 -1.050 8.966 1.00 0.00 O ATOM 479 OD2 ASP X 29 -13.301 -2.398 7.546 1.00 0.00 O ATOM 0 H ASP X 29 -11.233 -2.384 6.666 1.00 0.00 H new ATOM 0 HA ASP X 29 -11.119 -0.107 5.085 1.00 0.00 H new ATOM 0 HB2 ASP X 29 -12.708 0.669 7.065 1.00 0.00 H new ATOM 0 HB3 ASP X 29 -13.217 -0.539 5.901 1.00 0.00 H new ATOM 484 N GLU X 30 -9.945 0.343 8.143 1.00 0.00 N ATOM 485 CA GLU X 30 -9.127 1.241 8.930 1.00 0.00 C ATOM 486 C GLU X 30 -7.813 1.501 8.295 1.00 0.00 C ATOM 487 O GLU X 30 -7.294 2.570 8.389 1.00 0.00 O ATOM 488 CB GLU X 30 -9.030 0.983 10.433 1.00 0.00 C ATOM 489 CG GLU X 30 -10.332 1.155 11.188 1.00 0.00 C ATOM 490 CD GLU X 30 -10.108 1.285 12.674 1.00 0.00 C ATOM 491 OE1 GLU X 30 -9.824 2.417 13.148 1.00 0.00 O ATOM 492 OE2 GLU X 30 -10.209 0.288 13.407 1.00 0.00 O ATOM 0 H GLU X 30 -10.230 -0.507 8.629 1.00 0.00 H new ATOM 0 HA GLU X 30 -9.706 2.164 8.913 1.00 0.00 H new ATOM 0 HB2 GLU X 30 -8.665 -0.032 10.591 1.00 0.00 H new ATOM 0 HB3 GLU X 30 -8.287 1.659 10.857 1.00 0.00 H new ATOM 0 HG2 GLU X 30 -10.851 2.040 10.820 1.00 0.00 H new ATOM 0 HG3 GLU X 30 -10.981 0.301 10.992 1.00 0.00 H new ATOM 499 N CYS X 31 -7.256 0.511 7.702 1.00 0.00 N ATOM 500 CA CYS X 31 -5.972 0.660 7.024 1.00 0.00 C ATOM 501 C CYS X 31 -6.029 1.784 5.960 1.00 0.00 C ATOM 502 O CYS X 31 -5.106 2.594 5.870 1.00 0.00 O ATOM 503 CB CYS X 31 -5.415 -0.690 6.469 1.00 0.00 C ATOM 504 SG CYS X 31 -4.853 -1.870 7.776 1.00 0.00 S ATOM 0 H CYS X 31 -7.653 -0.428 7.659 1.00 0.00 H new ATOM 0 HA CYS X 31 -5.245 0.972 7.774 1.00 0.00 H new ATOM 0 HB2 CYS X 31 -6.188 -1.170 5.869 1.00 0.00 H new ATOM 0 HB3 CYS X 31 -4.579 -0.479 5.802 1.00 0.00 H new ATOM 509 N LYS X 32 -7.125 1.854 5.199 1.00 0.00 N ATOM 510 CA LYS X 32 -7.294 2.918 4.179 1.00 0.00 C ATOM 511 C LYS X 32 -7.338 4.228 4.863 1.00 0.00 C ATOM 512 O LYS X 32 -6.665 5.182 4.479 1.00 0.00 O ATOM 513 CB LYS X 32 -8.605 2.768 3.380 1.00 0.00 C ATOM 514 CG LYS X 32 -8.630 1.689 2.325 1.00 0.00 C ATOM 515 CD LYS X 32 -8.092 0.380 2.835 1.00 0.00 C ATOM 516 CE LYS X 32 -8.276 -0.750 1.793 1.00 0.00 C ATOM 517 NZ LYS X 32 -7.747 -2.077 2.235 1.00 0.00 N ATOM 0 H LYS X 32 -7.905 1.200 5.261 1.00 0.00 H new ATOM 0 HA LYS X 32 -6.456 2.840 3.487 1.00 0.00 H new ATOM 0 HB2 LYS X 32 -9.414 2.575 4.085 1.00 0.00 H new ATOM 0 HB3 LYS X 32 -8.822 3.721 2.898 1.00 0.00 H new ATOM 0 HG2 LYS X 32 -9.653 1.548 1.977 1.00 0.00 H new ATOM 0 HG3 LYS X 32 -8.042 2.011 1.465 1.00 0.00 H new ATOM 0 HD2 LYS X 32 -7.034 0.488 3.074 1.00 0.00 H new ATOM 0 HD3 LYS X 32 -8.602 0.111 3.760 1.00 0.00 H new ATOM 0 HE2 LYS X 32 -9.337 -0.851 1.565 1.00 0.00 H new ATOM 0 HE3 LYS X 32 -7.777 -0.462 0.868 1.00 0.00 H new ATOM 0 HZ1 LYS X 32 -8.188 -2.832 1.671 1.00 0.00 H new ATOM 0 HZ2 LYS X 32 -6.716 -2.102 2.101 1.00 0.00 H new ATOM 0 HZ3 LYS X 32 -7.969 -2.222 3.241 1.00 0.00 H new ATOM 531 N LYS X 33 -8.127 4.235 5.914 1.00 0.00 N ATOM 532 CA LYS X 33 -8.358 5.392 6.692 1.00 0.00 C ATOM 533 C LYS X 33 -7.045 5.882 7.324 1.00 0.00 C ATOM 534 O LYS X 33 -6.763 7.070 7.339 1.00 0.00 O ATOM 535 CB LYS X 33 -9.495 5.165 7.703 1.00 0.00 C ATOM 536 CG LYS X 33 -9.039 4.833 9.082 1.00 0.00 C ATOM 537 CD LYS X 33 -10.216 4.602 10.028 1.00 0.00 C ATOM 538 CE LYS X 33 -11.102 5.834 10.181 1.00 0.00 C ATOM 539 NZ LYS X 33 -12.244 5.581 11.072 1.00 0.00 N ATOM 0 H LYS X 33 -8.628 3.410 6.244 1.00 0.00 H new ATOM 0 HA LYS X 33 -8.705 6.199 6.047 1.00 0.00 H new ATOM 0 HB2 LYS X 33 -10.112 6.063 7.744 1.00 0.00 H new ATOM 0 HB3 LYS X 33 -10.131 4.358 7.340 1.00 0.00 H new ATOM 0 HG2 LYS X 33 -8.415 3.940 9.053 1.00 0.00 H new ATOM 0 HG3 LYS X 33 -8.419 5.643 9.465 1.00 0.00 H new ATOM 0 HD2 LYS X 33 -10.817 3.772 9.657 1.00 0.00 H new ATOM 0 HD3 LYS X 33 -9.837 4.309 11.007 1.00 0.00 H new ATOM 0 HE2 LYS X 33 -10.510 6.660 10.575 1.00 0.00 H new ATOM 0 HE3 LYS X 33 -11.467 6.142 9.201 1.00 0.00 H new ATOM 0 HZ1 LYS X 33 -12.821 6.443 11.150 1.00 0.00 H new ATOM 0 HZ2 LYS X 33 -12.823 4.810 10.683 1.00 0.00 H new ATOM 0 HZ3 LYS X 33 -11.896 5.311 12.014 1.00 0.00 H new ATOM 553 N THR X 34 -6.247 4.926 7.831 1.00 0.00 N ATOM 554 CA THR X 34 -4.975 5.208 8.424 1.00 0.00 C ATOM 555 C THR X 34 -4.088 5.843 7.395 1.00 0.00 C ATOM 556 O THR X 34 -3.348 6.774 7.701 1.00 0.00 O ATOM 557 CB THR X 34 -4.301 3.979 9.037 1.00 0.00 C ATOM 558 OG1 THR X 34 -5.252 3.279 9.853 1.00 0.00 O ATOM 559 CG2 THR X 34 -3.157 4.426 9.930 1.00 0.00 C ATOM 0 H THR X 34 -6.490 3.935 7.829 1.00 0.00 H new ATOM 0 HA THR X 34 -5.145 5.893 9.255 1.00 0.00 H new ATOM 0 HB THR X 34 -3.932 3.335 8.239 1.00 0.00 H new ATOM 0 HG1 THR X 34 -5.792 2.686 9.290 1.00 0.00 H new ATOM 0 HG21 THR X 34 -2.675 3.552 10.368 1.00 0.00 H new ATOM 0 HG22 THR X 34 -2.430 4.983 9.339 1.00 0.00 H new ATOM 0 HG23 THR X 34 -3.544 5.064 10.725 1.00 0.00 H new ATOM 567 N CYS X 35 -4.138 5.323 6.173 1.00 0.00 N ATOM 568 CA CYS X 35 -3.395 5.967 5.118 1.00 0.00 C ATOM 569 C CYS X 35 -3.746 7.432 4.893 1.00 0.00 C ATOM 570 O CYS X 35 -2.857 8.269 4.746 1.00 0.00 O ATOM 571 CB CYS X 35 -3.153 5.133 3.870 1.00 0.00 C ATOM 572 SG CYS X 35 -1.621 4.153 3.945 1.00 0.00 S ATOM 0 H CYS X 35 -4.664 4.492 5.903 1.00 0.00 H new ATOM 0 HA CYS X 35 -2.386 6.024 5.526 1.00 0.00 H new ATOM 0 HB2 CYS X 35 -3.999 4.462 3.720 1.00 0.00 H new ATOM 0 HB3 CYS X 35 -3.112 5.792 3.003 1.00 0.00 H new ATOM 577 N PHE X 36 -5.019 7.759 4.954 1.00 0.00 N ATOM 578 CA PHE X 36 -5.436 9.149 4.810 1.00 0.00 C ATOM 579 C PHE X 36 -4.870 9.942 5.967 1.00 0.00 C ATOM 580 O PHE X 36 -4.580 11.133 5.826 1.00 0.00 O ATOM 581 CB PHE X 36 -6.960 9.327 4.844 1.00 0.00 C ATOM 582 CG PHE X 36 -7.720 8.456 3.922 1.00 0.00 C ATOM 583 CD1 PHE X 36 -7.322 8.281 2.614 1.00 0.00 C ATOM 584 CD2 PHE X 36 -8.843 7.801 4.371 1.00 0.00 C ATOM 585 CE1 PHE X 36 -8.026 7.461 1.782 1.00 0.00 C ATOM 586 CE2 PHE X 36 -9.556 6.981 3.541 1.00 0.00 C ATOM 587 CZ PHE X 36 -9.143 6.808 2.246 1.00 0.00 C ATOM 0 H PHE X 36 -5.780 7.095 5.100 1.00 0.00 H new ATOM 0 HA PHE X 36 -5.072 9.491 3.841 1.00 0.00 H new ATOM 0 HB2 PHE X 36 -7.308 9.143 5.860 1.00 0.00 H new ATOM 0 HB3 PHE X 36 -7.193 10.366 4.611 1.00 0.00 H new ATOM 0 HD1 PHE X 36 -6.447 8.796 2.246 1.00 0.00 H new ATOM 0 HD2 PHE X 36 -9.166 7.936 5.393 1.00 0.00 H new ATOM 0 HE1 PHE X 36 -7.706 7.325 0.759 1.00 0.00 H new ATOM 0 HE2 PHE X 36 -10.438 6.474 3.903 1.00 0.00 H new ATOM 0 HZ PHE X 36 -9.697 6.156 1.587 1.00 0.00 H new ATOM 597 N LYS X 37 -4.800 9.307 7.136 1.00 0.00 N ATOM 598 CA LYS X 37 -4.324 9.978 8.311 1.00 0.00 C ATOM 599 C LYS X 37 -2.919 10.639 8.215 1.00 0.00 C ATOM 600 O LYS X 37 -2.847 11.823 8.566 1.00 0.00 O ATOM 601 CB LYS X 37 -4.378 9.075 9.555 1.00 0.00 C ATOM 602 CG LYS X 37 -5.772 8.642 9.974 1.00 0.00 C ATOM 603 CD LYS X 37 -5.728 7.784 11.235 1.00 0.00 C ATOM 604 CE LYS X 37 -7.123 7.353 11.658 1.00 0.00 C ATOM 605 NZ LYS X 37 -7.115 6.540 12.886 1.00 0.00 N ATOM 0 H LYS X 37 -5.069 8.334 7.279 1.00 0.00 H new ATOM 0 HA LYS X 37 -5.028 10.805 8.406 1.00 0.00 H new ATOM 0 HB2 LYS X 37 -3.779 8.184 9.365 1.00 0.00 H new ATOM 0 HB3 LYS X 37 -3.912 9.601 10.388 1.00 0.00 H new ATOM 0 HG2 LYS X 37 -6.391 9.522 10.151 1.00 0.00 H new ATOM 0 HG3 LYS X 37 -6.240 8.081 9.165 1.00 0.00 H new ATOM 0 HD2 LYS X 37 -5.111 6.903 11.057 1.00 0.00 H new ATOM 0 HD3 LYS X 37 -5.258 8.345 12.043 1.00 0.00 H new ATOM 0 HE2 LYS X 37 -7.741 8.237 11.816 1.00 0.00 H new ATOM 0 HE3 LYS X 37 -7.583 6.782 10.852 1.00 0.00 H new ATOM 0 HZ1 LYS X 37 -8.090 6.272 13.131 1.00 0.00 H new ATOM 0 HZ2 LYS X 37 -6.549 5.682 12.730 1.00 0.00 H new ATOM 0 HZ3 LYS X 37 -6.701 7.091 13.665 1.00 0.00 H new ATOM 619 N THR X 38 -1.762 9.950 7.826 1.00 0.00 N ATOM 620 CA THR X 38 -0.543 10.816 7.877 1.00 0.00 C ATOM 621 C THR X 38 -0.516 11.852 6.653 1.00 0.00 C ATOM 622 O THR X 38 -1.571 12.259 6.162 1.00 0.00 O ATOM 623 CB THR X 38 0.644 9.834 7.731 1.00 0.00 C ATOM 624 OG1 THR X 38 0.271 8.565 8.306 1.00 0.00 O ATOM 625 CG2 THR X 38 1.881 10.340 8.456 1.00 0.00 C ATOM 0 H THR X 38 -1.665 8.979 7.529 1.00 0.00 H new ATOM 0 HA THR X 38 -0.511 11.401 8.796 1.00 0.00 H new ATOM 0 HB THR X 38 0.876 9.738 6.670 1.00 0.00 H new ATOM 0 HG1 THR X 38 1.016 7.934 8.217 1.00 0.00 H new ATOM 0 HG21 THR X 38 2.694 9.625 8.331 1.00 0.00 H new ATOM 0 HG22 THR X 38 2.178 11.303 8.040 1.00 0.00 H new ATOM 0 HG23 THR X 38 1.659 10.456 9.517 1.00 0.00 H new ATOM 633 N GLU X 39 0.676 12.263 6.121 1.00 0.00 N ATOM 634 CA GLU X 39 0.932 12.559 4.702 1.00 0.00 C ATOM 635 C GLU X 39 1.205 11.352 3.887 1.00 0.00 C ATOM 636 O GLU X 39 0.575 11.015 2.910 1.00 0.00 O ATOM 637 CB GLU X 39 1.967 13.651 4.450 1.00 0.00 C ATOM 638 CG GLU X 39 1.427 15.070 4.466 1.00 0.00 C ATOM 639 CD GLU X 39 0.798 15.474 5.763 1.00 0.00 C ATOM 640 OE1 GLU X 39 1.534 15.783 6.728 1.00 0.00 O ATOM 641 OE2 GLU X 39 -0.427 15.534 5.845 1.00 0.00 O ATOM 0 H GLU X 39 1.504 12.397 6.701 1.00 0.00 H new ATOM 0 HA GLU X 39 -0.017 12.972 4.359 1.00 0.00 H new ATOM 0 HB2 GLU X 39 2.750 13.569 5.204 1.00 0.00 H new ATOM 0 HB3 GLU X 39 2.436 13.469 3.483 1.00 0.00 H new ATOM 0 HG2 GLU X 39 2.241 15.759 4.240 1.00 0.00 H new ATOM 0 HG3 GLU X 39 0.690 15.175 3.670 1.00 0.00 H new ATOM 648 N TYR X 40 2.209 10.701 4.446 1.00 0.00 N ATOM 649 CA TYR X 40 3.035 9.676 3.864 1.00 0.00 C ATOM 650 C TYR X 40 2.320 8.448 3.523 1.00 0.00 C ATOM 651 O TYR X 40 2.766 7.693 2.655 1.00 0.00 O ATOM 652 CB TYR X 40 4.229 9.364 4.744 1.00 0.00 C ATOM 653 CG TYR X 40 5.000 10.573 5.216 1.00 0.00 C ATOM 654 CD1 TYR X 40 5.629 11.419 4.320 1.00 0.00 C ATOM 655 CD2 TYR X 40 5.111 10.855 6.570 1.00 0.00 C ATOM 656 CE1 TYR X 40 6.345 12.513 4.761 1.00 0.00 C ATOM 657 CE2 TYR X 40 5.821 11.945 7.017 1.00 0.00 C ATOM 658 CZ TYR X 40 6.435 12.770 6.110 1.00 0.00 C ATOM 659 OH TYR X 40 7.157 13.854 6.554 1.00 0.00 O ATOM 0 H TYR X 40 2.486 10.900 5.407 1.00 0.00 H new ATOM 0 HA TYR X 40 3.381 10.096 2.919 1.00 0.00 H new ATOM 0 HB2 TYR X 40 3.885 8.807 5.615 1.00 0.00 H new ATOM 0 HB3 TYR X 40 4.906 8.710 4.195 1.00 0.00 H new ATOM 0 HD1 TYR X 40 5.559 11.220 3.261 1.00 0.00 H new ATOM 0 HD2 TYR X 40 4.630 10.206 7.287 1.00 0.00 H new ATOM 0 HE1 TYR X 40 6.832 13.165 4.051 1.00 0.00 H new ATOM 0 HE2 TYR X 40 5.894 12.150 8.075 1.00 0.00 H new ATOM 0 HH TYR X 40 7.119 13.894 7.532 1.00 0.00 H new ATOM 669 N CYS X 41 1.312 8.160 4.274 1.00 0.00 N ATOM 670 CA CYS X 41 0.647 6.898 4.124 1.00 0.00 C ATOM 671 C CYS X 41 -0.155 6.886 2.810 1.00 0.00 C ATOM 672 O CYS X 41 -1.282 7.341 2.728 1.00 0.00 O ATOM 673 CB CYS X 41 -0.197 6.598 5.358 1.00 0.00 C ATOM 674 SG CYS X 41 -0.677 4.822 5.634 1.00 0.00 S ATOM 0 H CYS X 41 0.928 8.771 4.994 1.00 0.00 H new ATOM 0 HA CYS X 41 1.377 6.091 4.052 1.00 0.00 H new ATOM 0 HB2 CYS X 41 0.350 6.942 6.236 1.00 0.00 H new ATOM 0 HB3 CYS X 41 -1.109 7.191 5.298 1.00 0.00 H new ATOM 679 N TYR X 42 0.515 6.481 1.766 1.00 0.00 N ATOM 680 CA TYR X 42 -0.060 6.396 0.452 1.00 0.00 C ATOM 681 C TYR X 42 0.440 5.154 -0.292 1.00 0.00 C ATOM 682 O TYR X 42 0.133 4.946 -1.470 1.00 0.00 O ATOM 683 CB TYR X 42 0.196 7.703 -0.349 1.00 0.00 C ATOM 684 CG TYR X 42 1.624 8.232 -0.303 1.00 0.00 C ATOM 685 CD1 TYR X 42 2.691 7.391 -0.476 1.00 0.00 C ATOM 686 CD2 TYR X 42 1.894 9.574 -0.044 1.00 0.00 C ATOM 687 CE1 TYR X 42 3.972 7.830 -0.407 1.00 0.00 C ATOM 688 CE2 TYR X 42 3.201 10.028 0.033 1.00 0.00 C ATOM 689 CZ TYR X 42 4.233 9.136 -0.155 1.00 0.00 C ATOM 690 OH TYR X 42 5.542 9.544 -0.061 1.00 0.00 O ATOM 0 H TYR X 42 1.493 6.196 1.806 1.00 0.00 H new ATOM 0 HA TYR X 42 -1.140 6.288 0.557 1.00 0.00 H new ATOM 0 HB2 TYR X 42 -0.075 7.529 -1.390 1.00 0.00 H new ATOM 0 HB3 TYR X 42 -0.472 8.477 0.029 1.00 0.00 H new ATOM 0 HD1 TYR X 42 2.506 6.345 -0.674 1.00 0.00 H new ATOM 0 HD2 TYR X 42 1.078 10.267 0.098 1.00 0.00 H new ATOM 0 HE1 TYR X 42 4.787 7.137 -0.553 1.00 0.00 H new ATOM 0 HE2 TYR X 42 3.408 11.068 0.238 1.00 0.00 H new ATOM 0 HH TYR X 42 5.572 10.506 0.122 1.00 0.00 H new ATOM 700 N ILE X 43 1.220 4.321 0.390 1.00 0.00 N ATOM 701 CA ILE X 43 1.654 3.074 -0.223 1.00 0.00 C ATOM 702 C ILE X 43 1.164 2.028 0.700 1.00 0.00 C ATOM 703 O ILE X 43 1.240 2.211 1.906 1.00 0.00 O ATOM 704 CB ILE X 43 3.204 2.891 -0.350 1.00 0.00 C ATOM 705 CG1 ILE X 43 3.915 4.131 -0.893 1.00 0.00 C ATOM 706 CG2 ILE X 43 3.517 1.682 -1.236 1.00 0.00 C ATOM 707 CD1 ILE X 43 3.531 4.548 -2.286 1.00 0.00 C ATOM 0 H ILE X 43 1.556 4.480 1.340 1.00 0.00 H new ATOM 0 HA ILE X 43 1.273 3.040 -1.244 1.00 0.00 H new ATOM 0 HB ILE X 43 3.583 2.727 0.659 1.00 0.00 H new ATOM 0 HG12 ILE X 43 3.719 4.964 -0.218 1.00 0.00 H new ATOM 0 HG13 ILE X 43 4.990 3.949 -0.872 1.00 0.00 H new ATOM 0 HG21 ILE X 43 4.597 1.562 -1.319 1.00 0.00 H new ATOM 0 HG22 ILE X 43 3.085 0.785 -0.793 1.00 0.00 H new ATOM 0 HG23 ILE X 43 3.092 1.838 -2.228 1.00 0.00 H new ATOM 0 HD11 ILE X 43 4.095 5.437 -2.568 1.00 0.00 H new ATOM 0 HD12 ILE X 43 3.754 3.740 -2.982 1.00 0.00 H new ATOM 0 HD13 ILE X 43 2.464 4.770 -2.318 1.00 0.00 H new ATOM 719 N VAL X 44 0.611 0.988 0.208 1.00 0.00 N ATOM 720 CA VAL X 44 0.123 -0.006 1.094 1.00 0.00 C ATOM 721 C VAL X 44 0.516 -1.357 0.553 1.00 0.00 C ATOM 722 O VAL X 44 0.628 -1.547 -0.684 1.00 0.00 O ATOM 723 CB VAL X 44 -1.420 0.062 1.240 1.00 0.00 C ATOM 724 CG1 VAL X 44 -1.957 -0.804 2.370 1.00 0.00 C ATOM 725 CG2 VAL X 44 -1.970 1.483 1.309 1.00 0.00 C ATOM 0 H VAL X 44 0.483 0.799 -0.786 1.00 0.00 H new ATOM 0 HA VAL X 44 0.555 0.162 2.080 1.00 0.00 H new ATOM 0 HB VAL X 44 -1.797 -0.365 0.310 1.00 0.00 H new ATOM 0 HG11 VAL X 44 -3.042 -0.710 2.416 1.00 0.00 H new ATOM 0 HG12 VAL X 44 -1.691 -1.845 2.189 1.00 0.00 H new ATOM 0 HG13 VAL X 44 -1.524 -0.478 3.316 1.00 0.00 H new ATOM 0 HG21 VAL X 44 -3.055 1.449 1.411 1.00 0.00 H new ATOM 0 HG22 VAL X 44 -1.541 1.998 2.169 1.00 0.00 H new ATOM 0 HG23 VAL X 44 -1.708 2.019 0.397 1.00 0.00 H new ATOM 735 N PHE X 45 0.788 -2.260 1.435 1.00 0.00 N ATOM 736 CA PHE X 45 1.046 -3.603 1.067 1.00 0.00 C ATOM 737 C PHE X 45 0.030 -4.431 1.770 1.00 0.00 C ATOM 738 O PHE X 45 -0.133 -4.326 2.986 1.00 0.00 O ATOM 739 CB PHE X 45 2.471 -4.025 1.485 1.00 0.00 C ATOM 740 CG PHE X 45 3.567 -3.468 0.611 1.00 0.00 C ATOM 741 CD1 PHE X 45 3.819 -2.102 0.543 1.00 0.00 C ATOM 742 CD2 PHE X 45 4.339 -4.318 -0.152 1.00 0.00 C ATOM 743 CE1 PHE X 45 4.808 -1.603 -0.268 1.00 0.00 C ATOM 744 CE2 PHE X 45 5.336 -3.821 -0.964 1.00 0.00 C ATOM 745 CZ PHE X 45 5.566 -2.454 -1.021 1.00 0.00 C ATOM 0 H PHE X 45 0.837 -2.081 2.438 1.00 0.00 H new ATOM 0 HA PHE X 45 0.984 -3.730 -0.014 1.00 0.00 H new ATOM 0 HB2 PHE X 45 2.645 -3.706 2.513 1.00 0.00 H new ATOM 0 HB3 PHE X 45 2.532 -5.113 1.475 1.00 0.00 H new ATOM 0 HD1 PHE X 45 3.227 -1.422 1.138 1.00 0.00 H new ATOM 0 HD2 PHE X 45 4.161 -5.383 -0.113 1.00 0.00 H new ATOM 0 HE1 PHE X 45 4.986 -0.539 -0.311 1.00 0.00 H new ATOM 0 HE2 PHE X 45 5.938 -4.495 -1.555 1.00 0.00 H new ATOM 0 HZ PHE X 45 6.344 -2.063 -1.660 1.00 0.00 H new ATOM 755 N GLU X 46 -0.628 -5.268 1.060 1.00 0.00 N ATOM 756 CA GLU X 46 -1.652 -6.062 1.686 1.00 0.00 C ATOM 757 C GLU X 46 -1.373 -7.518 1.443 1.00 0.00 C ATOM 758 O GLU X 46 -0.993 -7.906 0.328 1.00 0.00 O ATOM 759 CB GLU X 46 -3.067 -5.643 1.230 1.00 0.00 C ATOM 760 CG GLU X 46 -3.365 -4.130 1.440 1.00 0.00 C ATOM 761 CD GLU X 46 -4.855 -3.738 1.454 1.00 0.00 C ATOM 762 OE1 GLU X 46 -5.558 -3.969 0.465 1.00 0.00 O ATOM 763 OE2 GLU X 46 -5.330 -3.150 2.476 1.00 0.00 O ATOM 0 H GLU X 46 -0.491 -5.430 0.062 1.00 0.00 H new ATOM 0 HA GLU X 46 -1.629 -5.886 2.761 1.00 0.00 H new ATOM 0 HB2 GLU X 46 -3.186 -5.885 0.174 1.00 0.00 H new ATOM 0 HB3 GLU X 46 -3.805 -6.230 1.777 1.00 0.00 H new ATOM 0 HG2 GLU X 46 -2.917 -3.818 2.384 1.00 0.00 H new ATOM 0 HG3 GLU X 46 -2.868 -3.568 0.650 1.00 0.00 H new ATOM 770 N ASP X 47 -1.505 -8.307 2.476 1.00 0.00 N ATOM 771 CA ASP X 47 -1.170 -9.718 2.412 1.00 0.00 C ATOM 772 C ASP X 47 -2.312 -10.457 1.810 1.00 0.00 C ATOM 773 O ASP X 47 -3.416 -10.397 2.329 1.00 0.00 O ATOM 774 CB ASP X 47 -0.880 -10.279 3.799 1.00 0.00 C ATOM 775 CG ASP X 47 -0.357 -11.694 3.746 1.00 0.00 C ATOM 776 OD1 ASP X 47 -1.158 -12.628 3.590 1.00 0.00 O ATOM 777 OD2 ASP X 47 0.842 -11.889 3.886 1.00 0.00 O ATOM 0 H ASP X 47 -1.846 -7.998 3.386 1.00 0.00 H new ATOM 0 HA ASP X 47 -0.274 -9.837 1.803 1.00 0.00 H new ATOM 0 HB2 ASP X 47 -0.151 -9.643 4.301 1.00 0.00 H new ATOM 0 HB3 ASP X 47 -1.791 -10.253 4.397 1.00 0.00 H new ATOM 782 N THR X 48 -2.046 -11.169 0.755 1.00 0.00 N ATOM 783 CA THR X 48 -3.072 -11.846 0.004 1.00 0.00 C ATOM 784 C THR X 48 -3.429 -13.212 0.625 1.00 0.00 C ATOM 785 O THR X 48 -4.509 -13.758 0.387 1.00 0.00 O ATOM 786 CB THR X 48 -2.642 -11.999 -1.500 1.00 0.00 C ATOM 787 OG1 THR X 48 -3.668 -12.622 -2.279 1.00 0.00 O ATOM 788 CG2 THR X 48 -1.350 -12.800 -1.637 1.00 0.00 C ATOM 0 H THR X 48 -1.104 -11.300 0.385 1.00 0.00 H new ATOM 0 HA THR X 48 -3.973 -11.233 0.043 1.00 0.00 H new ATOM 0 HB THR X 48 -2.474 -10.990 -1.877 1.00 0.00 H new ATOM 0 HG1 THR X 48 -3.370 -12.701 -3.209 1.00 0.00 H new ATOM 0 HG21 THR X 48 -1.084 -12.885 -2.691 1.00 0.00 H new ATOM 0 HG22 THR X 48 -0.548 -12.292 -1.101 1.00 0.00 H new ATOM 0 HG23 THR X 48 -1.493 -13.796 -1.218 1.00 0.00 H new ATOM 796 N VAL X 49 -2.548 -13.764 1.428 1.00 0.00 N ATOM 797 CA VAL X 49 -2.798 -15.077 1.996 1.00 0.00 C ATOM 798 C VAL X 49 -3.709 -14.940 3.195 1.00 0.00 C ATOM 799 O VAL X 49 -4.733 -15.597 3.313 1.00 0.00 O ATOM 800 CB VAL X 49 -1.477 -15.774 2.431 1.00 0.00 C ATOM 801 CG1 VAL X 49 -1.750 -17.163 2.994 1.00 0.00 C ATOM 802 CG2 VAL X 49 -0.492 -15.850 1.270 1.00 0.00 C ATOM 0 H VAL X 49 -1.664 -13.336 1.702 1.00 0.00 H new ATOM 0 HA VAL X 49 -3.269 -15.692 1.229 1.00 0.00 H new ATOM 0 HB VAL X 49 -1.028 -15.171 3.220 1.00 0.00 H new ATOM 0 HG11 VAL X 49 -0.809 -17.627 3.290 1.00 0.00 H new ATOM 0 HG12 VAL X 49 -2.403 -17.082 3.863 1.00 0.00 H new ATOM 0 HG13 VAL X 49 -2.233 -17.776 2.233 1.00 0.00 H new ATOM 0 HG21 VAL X 49 0.423 -16.342 1.601 1.00 0.00 H new ATOM 0 HG22 VAL X 49 -0.935 -16.420 0.453 1.00 0.00 H new ATOM 0 HG23 VAL X 49 -0.258 -14.843 0.925 1.00 0.00 H new ATOM 812 N ASN X 50 -3.356 -14.003 4.005 1.00 0.00 N ATOM 813 CA ASN X 50 -3.983 -13.756 5.275 1.00 0.00 C ATOM 814 C ASN X 50 -5.022 -12.674 5.194 1.00 0.00 C ATOM 815 O ASN X 50 -5.895 -12.587 6.068 1.00 0.00 O ATOM 816 CB ASN X 50 -2.899 -13.329 6.264 1.00 0.00 C ATOM 817 CG ASN X 50 -1.882 -14.408 6.533 1.00 0.00 C ATOM 818 OD1 ASN X 50 -2.051 -15.217 7.445 1.00 0.00 O ATOM 819 ND2 ASN X 50 -0.822 -14.431 5.751 1.00 0.00 N ATOM 0 H ASN X 50 -2.593 -13.357 3.801 1.00 0.00 H new ATOM 0 HA ASN X 50 -4.484 -14.670 5.595 1.00 0.00 H new ATOM 0 HB2 ASN X 50 -2.389 -12.447 5.876 1.00 0.00 H new ATOM 0 HB3 ASN X 50 -3.368 -13.038 7.204 1.00 0.00 H new ATOM 0 HD21 ASN X 50 -0.101 -15.139 5.890 1.00 0.00 H new ATOM 0 HD22 ASN X 50 -0.722 -13.741 5.007 1.00 0.00 H new ATOM 826 N LYS X 51 -4.940 -11.856 4.145 1.00 0.00 N ATOM 827 CA LYS X 51 -5.803 -10.667 4.001 1.00 0.00 C ATOM 828 C LYS X 51 -5.488 -9.666 5.110 1.00 0.00 C ATOM 829 O LYS X 51 -6.378 -9.101 5.751 1.00 0.00 O ATOM 830 CB LYS X 51 -7.314 -11.011 3.928 1.00 0.00 C ATOM 831 CG LYS X 51 -7.894 -11.120 2.505 1.00 0.00 C ATOM 832 CD LYS X 51 -7.249 -12.199 1.634 1.00 0.00 C ATOM 833 CE LYS X 51 -7.493 -13.605 2.158 1.00 0.00 C ATOM 834 NZ LYS X 51 -6.987 -14.632 1.221 1.00 0.00 N ATOM 0 H LYS X 51 -4.284 -11.990 3.375 1.00 0.00 H new ATOM 0 HA LYS X 51 -5.576 -10.207 3.039 1.00 0.00 H new ATOM 0 HB2 LYS X 51 -7.480 -11.956 4.444 1.00 0.00 H new ATOM 0 HB3 LYS X 51 -7.871 -10.248 4.473 1.00 0.00 H new ATOM 0 HG2 LYS X 51 -8.963 -11.321 2.577 1.00 0.00 H new ATOM 0 HG3 LYS X 51 -7.784 -10.156 2.007 1.00 0.00 H new ATOM 0 HD2 LYS X 51 -7.640 -12.122 0.619 1.00 0.00 H new ATOM 0 HD3 LYS X 51 -6.175 -12.019 1.577 1.00 0.00 H new ATOM 0 HE2 LYS X 51 -7.005 -13.723 3.126 1.00 0.00 H new ATOM 0 HE3 LYS X 51 -8.561 -13.753 2.319 1.00 0.00 H new ATOM 0 HZ1 LYS X 51 -6.839 -15.525 1.732 1.00 0.00 H new ATOM 0 HZ2 LYS X 51 -7.680 -14.779 0.460 1.00 0.00 H new ATOM 0 HZ3 LYS X 51 -6.086 -14.314 0.811 1.00 0.00 H new ATOM 848 N GLU X 52 -4.204 -9.450 5.299 1.00 0.00 N ATOM 849 CA GLU X 52 -3.694 -8.536 6.330 1.00 0.00 C ATOM 850 C GLU X 52 -3.313 -7.227 5.650 1.00 0.00 C ATOM 851 O GLU X 52 -3.110 -7.218 4.435 1.00 0.00 O ATOM 852 CB GLU X 52 -2.462 -9.144 7.031 1.00 0.00 C ATOM 853 CG GLU X 52 -2.723 -10.408 7.828 1.00 0.00 C ATOM 854 CD GLU X 52 -3.585 -10.198 9.055 1.00 0.00 C ATOM 855 OE1 GLU X 52 -3.149 -9.493 10.000 1.00 0.00 O ATOM 856 OE2 GLU X 52 -4.687 -10.748 9.119 1.00 0.00 O ATOM 0 H GLU X 52 -3.473 -9.898 4.747 1.00 0.00 H new ATOM 0 HA GLU X 52 -4.460 -8.365 7.087 1.00 0.00 H new ATOM 0 HB2 GLU X 52 -1.706 -9.361 6.276 1.00 0.00 H new ATOM 0 HB3 GLU X 52 -2.039 -8.394 7.700 1.00 0.00 H new ATOM 0 HG2 GLU X 52 -3.204 -11.140 7.180 1.00 0.00 H new ATOM 0 HG3 GLU X 52 -1.768 -10.834 8.136 1.00 0.00 H new ATOM 863 N CYS X 53 -3.173 -6.142 6.386 1.00 0.00 N ATOM 864 CA CYS X 53 -2.869 -4.893 5.751 1.00 0.00 C ATOM 865 C CYS X 53 -1.742 -4.193 6.440 1.00 0.00 C ATOM 866 O CYS X 53 -1.766 -3.999 7.652 1.00 0.00 O ATOM 867 CB CYS X 53 -4.130 -3.979 5.579 1.00 0.00 C ATOM 868 SG CYS X 53 -5.206 -3.767 7.068 1.00 0.00 S ATOM 0 H CYS X 53 -3.264 -6.107 7.401 1.00 0.00 H new ATOM 0 HA CYS X 53 -2.534 -5.123 4.740 1.00 0.00 H new ATOM 0 HB2 CYS X 53 -3.795 -2.993 5.257 1.00 0.00 H new ATOM 0 HB3 CYS X 53 -4.740 -4.387 4.773 1.00 0.00 H new ATOM 873 N TYR X 54 -0.738 -3.837 5.675 1.00 0.00 N ATOM 874 CA TYR X 54 0.375 -3.098 6.184 1.00 0.00 C ATOM 875 C TYR X 54 0.396 -1.833 5.419 1.00 0.00 C ATOM 876 O TYR X 54 0.442 -1.835 4.191 1.00 0.00 O ATOM 877 CB TYR X 54 1.716 -3.821 5.911 1.00 0.00 C ATOM 878 CG TYR X 54 2.018 -5.068 6.714 1.00 0.00 C ATOM 879 CD1 TYR X 54 1.184 -6.168 6.689 1.00 0.00 C ATOM 880 CD2 TYR X 54 3.185 -5.154 7.466 1.00 0.00 C ATOM 881 CE1 TYR X 54 1.495 -7.321 7.395 1.00 0.00 C ATOM 882 CE2 TYR X 54 3.498 -6.297 8.175 1.00 0.00 C ATOM 883 CZ TYR X 54 2.649 -7.377 8.133 1.00 0.00 C ATOM 884 OH TYR X 54 2.960 -8.525 8.829 1.00 0.00 O ATOM 0 H TYR X 54 -0.677 -4.056 4.681 1.00 0.00 H new ATOM 0 HA TYR X 54 0.270 -2.966 7.261 1.00 0.00 H new ATOM 0 HB2 TYR X 54 1.745 -4.087 4.854 1.00 0.00 H new ATOM 0 HB3 TYR X 54 2.523 -3.108 6.082 1.00 0.00 H new ATOM 0 HD1 TYR X 54 0.273 -6.130 6.110 1.00 0.00 H new ATOM 0 HD2 TYR X 54 3.859 -4.311 7.496 1.00 0.00 H new ATOM 0 HE1 TYR X 54 0.830 -8.172 7.363 1.00 0.00 H new ATOM 0 HE2 TYR X 54 4.405 -6.342 8.759 1.00 0.00 H new ATOM 0 HH TYR X 54 3.811 -8.402 9.299 1.00 0.00 H new ATOM 894 N TYR X 55 0.408 -0.776 6.101 1.00 0.00 N ATOM 895 CA TYR X 55 0.371 0.497 5.450 1.00 0.00 C ATOM 896 C TYR X 55 1.670 1.251 5.614 1.00 0.00 C ATOM 897 O TYR X 55 2.218 1.341 6.729 1.00 0.00 O ATOM 898 CB TYR X 55 -0.895 1.296 5.863 1.00 0.00 C ATOM 899 CG TYR X 55 -1.185 1.288 7.351 1.00 0.00 C ATOM 900 CD1 TYR X 55 -0.492 2.098 8.225 1.00 0.00 C ATOM 901 CD2 TYR X 55 -2.161 0.447 7.872 1.00 0.00 C ATOM 902 CE1 TYR X 55 -0.755 2.075 9.573 1.00 0.00 C ATOM 903 CE2 TYR X 55 -2.437 0.418 9.222 1.00 0.00 C ATOM 904 CZ TYR X 55 -1.730 1.231 10.070 1.00 0.00 C ATOM 905 OH TYR X 55 -1.999 1.211 11.425 1.00 0.00 O ATOM 0 H TYR X 55 0.443 -0.741 7.120 1.00 0.00 H new ATOM 0 HA TYR X 55 0.280 0.337 4.376 1.00 0.00 H new ATOM 0 HB2 TYR X 55 -0.781 2.329 5.533 1.00 0.00 H new ATOM 0 HB3 TYR X 55 -1.756 0.886 5.335 1.00 0.00 H new ATOM 0 HD1 TYR X 55 0.270 2.761 7.844 1.00 0.00 H new ATOM 0 HD2 TYR X 55 -2.715 -0.197 7.205 1.00 0.00 H new ATOM 0 HE1 TYR X 55 -0.201 2.715 10.243 1.00 0.00 H new ATOM 0 HE2 TYR X 55 -3.203 -0.239 9.608 1.00 0.00 H new ATOM 0 HH TYR X 55 -2.712 0.564 11.607 1.00 0.00 H new ATOM 915 N ASN X 56 2.198 1.699 4.488 1.00 0.00 N ATOM 916 CA ASN X 56 3.459 2.485 4.450 1.00 0.00 C ATOM 917 C ASN X 56 3.246 3.820 5.043 1.00 0.00 C ATOM 918 O ASN X 56 2.434 4.603 4.519 1.00 0.00 O ATOM 919 CB ASN X 56 3.953 2.644 3.006 1.00 0.00 C ATOM 920 CG ASN X 56 4.978 3.765 2.800 1.00 0.00 C ATOM 921 OD1 ASN X 56 6.174 3.572 2.919 1.00 0.00 O ATOM 922 ND2 ASN X 56 4.492 4.940 2.478 1.00 0.00 N ATOM 0 H ASN X 56 1.782 1.540 3.570 1.00 0.00 H new ATOM 0 HA ASN X 56 4.212 1.947 5.027 1.00 0.00 H new ATOM 0 HB2 ASN X 56 4.395 1.702 2.682 1.00 0.00 H new ATOM 0 HB3 ASN X 56 3.095 2.832 2.361 1.00 0.00 H new ATOM 0 HD21 ASN X 56 5.122 5.726 2.319 1.00 0.00 H new ATOM 0 HD22 ASN X 56 3.484 5.067 2.386 1.00 0.00 H new ATOM 929 N VAL X 57 4.016 4.121 6.082 1.00 0.00 N ATOM 930 CA VAL X 57 3.816 5.388 6.795 1.00 0.00 C ATOM 931 C VAL X 57 4.955 6.364 6.580 1.00 0.00 C ATOM 932 O VAL X 57 4.929 7.482 7.098 1.00 0.00 O ATOM 933 CB VAL X 57 3.571 5.209 8.318 1.00 0.00 C ATOM 934 CG1 VAL X 57 2.325 4.382 8.577 1.00 0.00 C ATOM 935 CG2 VAL X 57 4.780 4.599 9.009 1.00 0.00 C ATOM 0 H VAL X 57 4.764 3.530 6.445 1.00 0.00 H new ATOM 0 HA VAL X 57 2.909 5.804 6.356 1.00 0.00 H new ATOM 0 HB VAL X 57 3.413 6.201 8.742 1.00 0.00 H new ATOM 0 HG11 VAL X 57 2.178 4.273 9.651 1.00 0.00 H new ATOM 0 HG12 VAL X 57 1.460 4.881 8.141 1.00 0.00 H new ATOM 0 HG13 VAL X 57 2.441 3.397 8.125 1.00 0.00 H new ATOM 0 HG21 VAL X 57 4.573 4.488 10.073 1.00 0.00 H new ATOM 0 HG22 VAL X 57 4.991 3.621 8.577 1.00 0.00 H new ATOM 0 HG23 VAL X 57 5.644 5.250 8.873 1.00 0.00 H new ATOM 945 N VAL X 58 5.949 5.956 5.838 1.00 0.00 N ATOM 946 CA VAL X 58 7.085 6.844 5.563 1.00 0.00 C ATOM 947 C VAL X 58 6.995 7.267 4.091 1.00 0.00 C ATOM 948 O VAL X 58 5.991 6.992 3.434 1.00 0.00 O ATOM 949 CB VAL X 58 8.461 6.143 5.913 1.00 0.00 C ATOM 950 CG1 VAL X 58 9.662 7.106 5.929 1.00 0.00 C ATOM 951 CG2 VAL X 58 8.368 5.430 7.243 1.00 0.00 C ATOM 0 H VAL X 58 6.011 5.032 5.411 1.00 0.00 H new ATOM 0 HA VAL X 58 7.043 7.730 6.196 1.00 0.00 H new ATOM 0 HB VAL X 58 8.641 5.428 5.111 1.00 0.00 H new ATOM 0 HG11 VAL X 58 10.568 6.553 6.176 1.00 0.00 H new ATOM 0 HG12 VAL X 58 9.774 7.565 4.947 1.00 0.00 H new ATOM 0 HG13 VAL X 58 9.496 7.883 6.675 1.00 0.00 H new ATOM 0 HG21 VAL X 58 9.322 4.954 7.468 1.00 0.00 H new ATOM 0 HG22 VAL X 58 8.128 6.150 8.026 1.00 0.00 H new ATOM 0 HG23 VAL X 58 7.586 4.672 7.195 1.00 0.00 H new ATOM 961 N ASP X 59 7.971 7.964 3.603 1.00 0.00 N ATOM 962 CA ASP X 59 7.987 8.433 2.232 1.00 0.00 C ATOM 963 C ASP X 59 8.087 7.265 1.286 1.00 0.00 C ATOM 964 O ASP X 59 9.161 6.719 1.028 1.00 0.00 O ATOM 965 CB ASP X 59 9.110 9.442 1.967 1.00 0.00 C ATOM 966 CG ASP X 59 8.923 10.753 2.691 1.00 0.00 C ATOM 967 OD1 ASP X 59 9.392 10.887 3.847 1.00 0.00 O ATOM 968 OD2 ASP X 59 8.326 11.688 2.107 1.00 0.00 O ATOM 0 H ASP X 59 8.794 8.233 4.142 1.00 0.00 H new ATOM 0 HA ASP X 59 7.048 8.958 2.059 1.00 0.00 H new ATOM 0 HB2 ASP X 59 10.061 9.002 2.267 1.00 0.00 H new ATOM 0 HB3 ASP X 59 9.171 9.633 0.896 1.00 0.00 H new ATOM 973 N GLY X 60 6.962 6.894 0.782 1.00 0.00 N ATOM 974 CA GLY X 60 6.842 5.756 -0.027 1.00 0.00 C ATOM 975 C GLY X 60 6.872 6.120 -1.461 1.00 0.00 C ATOM 976 O GLY X 60 6.885 5.254 -2.321 1.00 0.00 O ATOM 0 H GLY X 60 6.085 7.393 0.931 1.00 0.00 H new ATOM 0 HA2 GLY X 60 7.653 5.062 0.193 1.00 0.00 H new ATOM 0 HA3 GLY X 60 5.910 5.240 0.201 1.00 0.00 H new ATOM 980 N GLU X 61 6.899 7.429 -1.731 1.00 0.00 N ATOM 981 CA GLU X 61 7.099 7.940 -3.082 1.00 0.00 C ATOM 982 C GLU X 61 8.483 7.506 -3.547 1.00 0.00 C ATOM 983 O GLU X 61 8.774 7.427 -4.736 1.00 0.00 O ATOM 984 CB GLU X 61 7.007 9.479 -3.093 1.00 0.00 C ATOM 985 CG GLU X 61 7.996 10.170 -2.151 1.00 0.00 C ATOM 986 CD GLU X 61 7.988 11.671 -2.275 1.00 0.00 C ATOM 987 OE1 GLU X 61 8.652 12.201 -3.189 1.00 0.00 O ATOM 988 OE2 GLU X 61 7.353 12.351 -1.435 1.00 0.00 O ATOM 0 H GLU X 61 6.784 8.155 -1.023 1.00 0.00 H new ATOM 0 HA GLU X 61 6.329 7.548 -3.746 1.00 0.00 H new ATOM 0 HB2 GLU X 61 7.179 9.835 -4.109 1.00 0.00 H new ATOM 0 HB3 GLU X 61 5.994 9.774 -2.819 1.00 0.00 H new ATOM 0 HG2 GLU X 61 7.760 9.896 -1.123 1.00 0.00 H new ATOM 0 HG3 GLU X 61 9.001 9.801 -2.356 1.00 0.00 H new ATOM 995 N GLU X 62 9.307 7.206 -2.565 1.00 0.00 N ATOM 996 CA GLU X 62 10.627 6.783 -2.764 1.00 0.00 C ATOM 997 C GLU X 62 10.702 5.246 -2.876 1.00 0.00 C ATOM 998 O GLU X 62 11.744 4.708 -3.242 1.00 0.00 O ATOM 999 CB GLU X 62 11.499 7.330 -1.637 1.00 0.00 C ATOM 1000 CG GLU X 62 12.975 7.043 -1.769 1.00 0.00 C ATOM 1001 CD GLU X 62 13.750 7.581 -0.621 1.00 0.00 C ATOM 1002 OE1 GLU X 62 13.573 7.083 0.509 1.00 0.00 O ATOM 1003 OE2 GLU X 62 14.566 8.495 -0.817 1.00 0.00 O ATOM 0 H GLU X 62 9.041 7.260 -1.582 1.00 0.00 H new ATOM 0 HA GLU X 62 11.004 7.175 -3.708 1.00 0.00 H new ATOM 0 HB2 GLU X 62 11.359 8.410 -1.582 1.00 0.00 H new ATOM 0 HB3 GLU X 62 11.147 6.914 -0.693 1.00 0.00 H new ATOM 0 HG2 GLU X 62 13.130 5.966 -1.839 1.00 0.00 H new ATOM 0 HG3 GLU X 62 13.348 7.480 -2.695 1.00 0.00 H new ATOM 1010 N LEU X 63 9.602 4.521 -2.564 1.00 0.00 N ATOM 1011 CA LEU X 63 9.647 3.055 -2.772 1.00 0.00 C ATOM 1012 C LEU X 63 9.714 2.782 -4.250 1.00 0.00 C ATOM 1013 O LEU X 63 8.787 3.101 -4.993 1.00 0.00 O ATOM 1014 CB LEU X 63 8.486 2.271 -2.113 1.00 0.00 C ATOM 1015 CG LEU X 63 8.383 2.403 -0.596 1.00 0.00 C ATOM 1016 CD1 LEU X 63 7.170 1.673 -0.074 1.00 0.00 C ATOM 1017 CD2 LEU X 63 9.641 1.879 0.073 1.00 0.00 C ATOM 0 H LEU X 63 8.728 4.894 -2.192 1.00 0.00 H new ATOM 0 HA LEU X 63 10.540 2.689 -2.266 1.00 0.00 H new ATOM 0 HB2 LEU X 63 7.547 2.607 -2.554 1.00 0.00 H new ATOM 0 HB3 LEU X 63 8.596 1.216 -2.362 1.00 0.00 H new ATOM 0 HG LEU X 63 8.276 3.461 -0.356 1.00 0.00 H new ATOM 0 HD11 LEU X 63 7.118 1.782 1.009 1.00 0.00 H new ATOM 0 HD12 LEU X 63 6.271 2.093 -0.524 1.00 0.00 H new ATOM 0 HD13 LEU X 63 7.244 0.616 -0.330 1.00 0.00 H new ATOM 0 HD21 LEU X 63 9.548 1.982 1.154 1.00 0.00 H new ATOM 0 HD22 LEU X 63 9.777 0.828 -0.181 1.00 0.00 H new ATOM 0 HD23 LEU X 63 10.502 2.451 -0.273 1.00 0.00 H new ATOM 1029 N ASP X 64 10.833 2.253 -4.662 1.00 0.00 N ATOM 1030 CA ASP X 64 11.146 2.060 -6.057 1.00 0.00 C ATOM 1031 C ASP X 64 10.762 0.630 -6.472 1.00 0.00 C ATOM 1032 O ASP X 64 11.509 -0.327 -6.220 1.00 0.00 O ATOM 1033 CB ASP X 64 12.649 2.318 -6.234 1.00 0.00 C ATOM 1034 CG ASP X 64 13.015 3.066 -7.493 1.00 0.00 C ATOM 1035 OD1 ASP X 64 12.140 3.445 -8.253 1.00 0.00 O ATOM 1036 OD2 ASP X 64 14.227 3.305 -7.727 1.00 0.00 O ATOM 0 H ASP X 64 11.568 1.937 -4.029 1.00 0.00 H new ATOM 0 HA ASP X 64 10.586 2.746 -6.693 1.00 0.00 H new ATOM 0 HB2 ASP X 64 13.011 2.882 -5.374 1.00 0.00 H new ATOM 0 HB3 ASP X 64 13.171 1.361 -6.231 1.00 0.00 H new ATOM 1041 N GLN X 65 9.602 0.514 -7.105 1.00 0.00 N ATOM 1042 CA GLN X 65 8.916 -0.778 -7.440 1.00 0.00 C ATOM 1043 C GLN X 65 9.762 -1.697 -8.250 1.00 0.00 C ATOM 1044 O GLN X 65 9.839 -2.894 -8.002 1.00 0.00 O ATOM 1045 CB GLN X 65 7.696 -0.510 -8.323 1.00 0.00 C ATOM 1046 CG GLN X 65 6.459 0.057 -7.685 1.00 0.00 C ATOM 1047 CD GLN X 65 6.711 1.181 -6.704 1.00 0.00 C ATOM 1048 OE1 GLN X 65 6.761 2.346 -7.074 1.00 0.00 O ATOM 1049 NE2 GLN X 65 6.858 0.843 -5.445 1.00 0.00 N ATOM 0 H GLN X 65 9.076 1.329 -7.420 1.00 0.00 H new ATOM 0 HA GLN X 65 8.672 -1.227 -6.477 1.00 0.00 H new ATOM 0 HB2 GLN X 65 8.004 0.173 -9.115 1.00 0.00 H new ATOM 0 HB3 GLN X 65 7.421 -1.450 -8.802 1.00 0.00 H new ATOM 0 HG2 GLN X 65 5.796 0.420 -8.470 1.00 0.00 H new ATOM 0 HG3 GLN X 65 5.932 -0.746 -7.169 1.00 0.00 H new ATOM 0 HE21 GLN X 65 6.810 -0.139 -5.172 1.00 0.00 H new ATOM 0 HE22 GLN X 65 7.020 1.562 -4.740 1.00 0.00 H new ATOM 1058 N GLU X 66 10.409 -1.150 -9.206 1.00 0.00 N ATOM 1059 CA GLU X 66 11.111 -1.943 -10.164 1.00 0.00 C ATOM 1060 C GLU X 66 12.452 -2.426 -9.608 1.00 0.00 C ATOM 1061 O GLU X 66 13.146 -3.220 -10.225 1.00 0.00 O ATOM 1062 CB GLU X 66 11.268 -1.160 -11.469 1.00 0.00 C ATOM 1063 CG GLU X 66 10.027 -0.313 -11.843 1.00 0.00 C ATOM 1064 CD GLU X 66 10.141 1.107 -11.342 1.00 0.00 C ATOM 1065 OE1 GLU X 66 9.751 1.369 -10.193 1.00 0.00 O ATOM 1066 OE2 GLU X 66 10.619 1.979 -12.089 1.00 0.00 O ATOM 0 H GLU X 66 10.473 -0.143 -9.355 1.00 0.00 H new ATOM 0 HA GLU X 66 10.529 -2.839 -10.380 1.00 0.00 H new ATOM 0 HB2 GLU X 66 12.133 -0.502 -11.385 1.00 0.00 H new ATOM 0 HB3 GLU X 66 11.476 -1.859 -12.279 1.00 0.00 H new ATOM 0 HG2 GLU X 66 9.905 -0.307 -12.926 1.00 0.00 H new ATOM 0 HG3 GLU X 66 9.133 -0.775 -11.424 1.00 0.00 H new ATOM 1073 N LYS X 67 12.790 -1.950 -8.426 1.00 0.00 N ATOM 1074 CA LYS X 67 14.024 -2.322 -7.760 1.00 0.00 C ATOM 1075 C LYS X 67 13.704 -3.233 -6.566 1.00 0.00 C ATOM 1076 O LYS X 67 14.585 -3.655 -5.802 1.00 0.00 O ATOM 1077 CB LYS X 67 14.831 -1.068 -7.342 1.00 0.00 C ATOM 1078 CG LYS X 67 15.296 -0.162 -8.511 1.00 0.00 C ATOM 1079 CD LYS X 67 14.125 0.528 -9.213 1.00 0.00 C ATOM 1080 CE LYS X 67 14.551 1.355 -10.401 1.00 0.00 C ATOM 1081 NZ LYS X 67 15.382 2.504 -9.999 1.00 0.00 N ATOM 0 H LYS X 67 12.216 -1.293 -7.898 1.00 0.00 H new ATOM 0 HA LYS X 67 14.657 -2.878 -8.452 1.00 0.00 H new ATOM 0 HB2 LYS X 67 14.221 -0.473 -6.663 1.00 0.00 H new ATOM 0 HB3 LYS X 67 15.709 -1.391 -6.782 1.00 0.00 H new ATOM 0 HG2 LYS X 67 15.984 0.593 -8.131 1.00 0.00 H new ATOM 0 HG3 LYS X 67 15.848 -0.762 -9.235 1.00 0.00 H new ATOM 0 HD2 LYS X 67 13.410 -0.227 -9.541 1.00 0.00 H new ATOM 0 HD3 LYS X 67 13.607 1.168 -8.499 1.00 0.00 H new ATOM 0 HE2 LYS X 67 15.109 0.729 -11.098 1.00 0.00 H new ATOM 0 HE3 LYS X 67 13.668 1.713 -10.930 1.00 0.00 H new ATOM 0 HZ1 LYS X 67 15.095 3.345 -10.539 1.00 0.00 H new ATOM 0 HZ2 LYS X 67 15.256 2.685 -8.983 1.00 0.00 H new ATOM 0 HZ3 LYS X 67 16.382 2.293 -10.191 1.00 0.00 H new ATOM 1095 N PHE X 68 12.433 -3.558 -6.480 1.00 0.00 N ATOM 1096 CA PHE X 68 11.848 -4.470 -5.511 1.00 0.00 C ATOM 1097 C PHE X 68 12.107 -5.906 -5.934 1.00 0.00 C ATOM 1098 O PHE X 68 12.261 -6.199 -7.119 1.00 0.00 O ATOM 1099 CB PHE X 68 10.331 -4.234 -5.329 1.00 0.00 C ATOM 1100 CG PHE X 68 9.914 -3.400 -4.133 1.00 0.00 C ATOM 1101 CD1 PHE X 68 10.454 -2.149 -3.896 1.00 0.00 C ATOM 1102 CD2 PHE X 68 8.970 -3.889 -3.229 1.00 0.00 C ATOM 1103 CE1 PHE X 68 10.062 -1.408 -2.787 1.00 0.00 C ATOM 1104 CE2 PHE X 68 8.591 -3.158 -2.140 1.00 0.00 C ATOM 1105 CZ PHE X 68 9.123 -1.928 -1.910 1.00 0.00 C ATOM 0 H PHE X 68 11.737 -3.173 -7.119 1.00 0.00 H new ATOM 0 HA PHE X 68 12.323 -4.278 -4.549 1.00 0.00 H new ATOM 0 HB2 PHE X 68 9.950 -3.753 -6.230 1.00 0.00 H new ATOM 0 HB3 PHE X 68 9.841 -5.205 -5.255 1.00 0.00 H new ATOM 0 HD1 PHE X 68 11.187 -1.744 -4.578 1.00 0.00 H new ATOM 0 HD2 PHE X 68 8.532 -4.862 -3.394 1.00 0.00 H new ATOM 0 HE1 PHE X 68 10.487 -0.431 -2.610 1.00 0.00 H new ATOM 0 HE2 PHE X 68 7.861 -3.561 -1.454 1.00 0.00 H new ATOM 0 HZ PHE X 68 8.815 -1.358 -1.046 1.00 0.00 H new ATOM 1115 N VAL X 69 12.156 -6.772 -4.972 1.00 0.00 N ATOM 1116 CA VAL X 69 12.444 -8.187 -5.155 1.00 0.00 C ATOM 1117 C VAL X 69 11.139 -8.827 -4.734 1.00 0.00 C ATOM 1118 O VAL X 69 10.316 -8.142 -4.227 1.00 0.00 O ATOM 1119 CB VAL X 69 13.582 -8.631 -4.172 1.00 0.00 C ATOM 1120 CG1 VAL X 69 13.985 -10.083 -4.370 1.00 0.00 C ATOM 1121 CG2 VAL X 69 14.794 -7.724 -4.289 1.00 0.00 C ATOM 0 H VAL X 69 11.993 -6.519 -3.997 1.00 0.00 H new ATOM 0 HA VAL X 69 12.771 -8.447 -6.162 1.00 0.00 H new ATOM 0 HB VAL X 69 13.175 -8.541 -3.165 1.00 0.00 H new ATOM 0 HG11 VAL X 69 14.776 -10.340 -3.665 1.00 0.00 H new ATOM 0 HG12 VAL X 69 13.122 -10.727 -4.198 1.00 0.00 H new ATOM 0 HG13 VAL X 69 14.346 -10.225 -5.389 1.00 0.00 H new ATOM 0 HG21 VAL X 69 15.566 -8.057 -3.595 1.00 0.00 H new ATOM 0 HG22 VAL X 69 15.180 -7.763 -5.308 1.00 0.00 H new ATOM 0 HG23 VAL X 69 14.507 -6.700 -4.048 1.00 0.00 H new ATOM 1131 N VAL X 70 10.875 -10.032 -5.019 1.00 0.00 N ATOM 1132 CA VAL X 70 9.533 -10.513 -4.764 1.00 0.00 C ATOM 1133 C VAL X 70 9.334 -11.342 -3.495 1.00 0.00 C ATOM 1134 O VAL X 70 9.917 -12.405 -3.336 1.00 0.00 O ATOM 1135 CB VAL X 70 8.977 -11.261 -5.973 1.00 0.00 C ATOM 1136 CG1 VAL X 70 7.569 -11.805 -5.729 1.00 0.00 C ATOM 1137 CG2 VAL X 70 9.015 -10.402 -7.220 1.00 0.00 C ATOM 0 H VAL X 70 11.527 -10.708 -5.417 1.00 0.00 H new ATOM 0 HA VAL X 70 8.968 -9.598 -4.584 1.00 0.00 H new ATOM 0 HB VAL X 70 9.628 -12.121 -6.130 1.00 0.00 H new ATOM 0 HG11 VAL X 70 7.221 -12.328 -6.620 1.00 0.00 H new ATOM 0 HG12 VAL X 70 7.587 -12.496 -4.886 1.00 0.00 H new ATOM 0 HG13 VAL X 70 6.893 -10.979 -5.506 1.00 0.00 H new ATOM 0 HG21 VAL X 70 8.612 -10.965 -8.062 1.00 0.00 H new ATOM 0 HG22 VAL X 70 8.415 -9.505 -7.063 1.00 0.00 H new ATOM 0 HG23 VAL X 70 10.045 -10.117 -7.434 1.00 0.00 H new ATOM 1147 N ASP X 71 8.526 -10.812 -2.586 1.00 0.00 N ATOM 1148 CA ASP X 71 7.924 -11.607 -1.538 1.00 0.00 C ATOM 1149 C ASP X 71 6.450 -11.664 -1.848 1.00 0.00 C ATOM 1150 O ASP X 71 5.706 -10.681 -1.638 1.00 0.00 O ATOM 1151 CB ASP X 71 8.208 -11.100 -0.119 1.00 0.00 C ATOM 1152 CG ASP X 71 9.594 -11.437 0.371 1.00 0.00 C ATOM 1153 OD1 ASP X 71 9.940 -12.633 0.458 1.00 0.00 O ATOM 1154 OD2 ASP X 71 10.364 -10.503 0.690 1.00 0.00 O ATOM 0 H ASP X 71 8.274 -9.824 -2.559 1.00 0.00 H new ATOM 0 HA ASP X 71 8.369 -12.602 -1.532 1.00 0.00 H new ATOM 0 HB2 ASP X 71 8.075 -10.018 -0.094 1.00 0.00 H new ATOM 0 HB3 ASP X 71 7.475 -11.527 0.565 1.00 0.00 H new ATOM 1159 N GLU X 72 6.070 -12.813 -2.371 1.00 0.00 N ATOM 1160 CA GLU X 72 4.782 -13.129 -3.021 1.00 0.00 C ATOM 1161 C GLU X 72 3.559 -12.956 -2.132 1.00 0.00 C ATOM 1162 O GLU X 72 2.446 -12.745 -2.636 1.00 0.00 O ATOM 1163 CB GLU X 72 4.827 -14.584 -3.455 1.00 0.00 C ATOM 1164 CG GLU X 72 5.987 -14.938 -4.356 1.00 0.00 C ATOM 1165 CD GLU X 72 6.139 -16.423 -4.506 1.00 0.00 C ATOM 1166 OE1 GLU X 72 5.447 -17.035 -5.353 1.00 0.00 O ATOM 1167 OE2 GLU X 72 6.947 -17.011 -3.765 1.00 0.00 O ATOM 0 H GLU X 72 6.691 -13.622 -2.359 1.00 0.00 H new ATOM 0 HA GLU X 72 4.672 -12.425 -3.846 1.00 0.00 H new ATOM 0 HB2 GLU X 72 4.870 -15.213 -2.566 1.00 0.00 H new ATOM 0 HB3 GLU X 72 3.897 -14.824 -3.971 1.00 0.00 H new ATOM 0 HG2 GLU X 72 5.837 -14.486 -5.337 1.00 0.00 H new ATOM 0 HG3 GLU X 72 6.906 -14.517 -3.948 1.00 0.00 H new ATOM 1174 N ASN X 73 3.751 -13.041 -0.846 1.00 0.00 N ATOM 1175 CA ASN X 73 2.652 -13.039 0.113 1.00 0.00 C ATOM 1176 C ASN X 73 1.910 -11.697 0.189 1.00 0.00 C ATOM 1177 O ASN X 73 0.734 -11.647 0.548 1.00 0.00 O ATOM 1178 CB ASN X 73 3.163 -13.482 1.481 1.00 0.00 C ATOM 1179 CG ASN X 73 4.295 -12.617 2.018 1.00 0.00 C ATOM 1180 OD1 ASN X 73 5.056 -11.962 1.268 1.00 0.00 O ATOM 1181 ND2 ASN X 73 4.446 -12.607 3.279 1.00 0.00 N ATOM 0 H ASN X 73 4.674 -13.114 -0.418 1.00 0.00 H new ATOM 0 HA ASN X 73 1.909 -13.754 -0.241 1.00 0.00 H new ATOM 0 HB2 ASN X 73 2.336 -13.466 2.191 1.00 0.00 H new ATOM 0 HB3 ASN X 73 3.506 -14.515 1.415 1.00 0.00 H new ATOM 0 HD21 ASN X 73 5.197 -12.059 3.698 1.00 0.00 H new ATOM 0 HD22 ASN X 73 3.816 -13.147 3.872 1.00 0.00 H new ATOM 1188 N PHE X 74 2.565 -10.630 -0.196 1.00 0.00 N ATOM 1189 CA PHE X 74 1.927 -9.324 -0.183 1.00 0.00 C ATOM 1190 C PHE X 74 1.771 -8.807 -1.558 1.00 0.00 C ATOM 1191 O PHE X 74 2.455 -9.246 -2.467 1.00 0.00 O ATOM 1192 CB PHE X 74 2.681 -8.292 0.649 1.00 0.00 C ATOM 1193 CG PHE X 74 2.649 -8.547 2.110 1.00 0.00 C ATOM 1194 CD1 PHE X 74 3.481 -9.471 2.694 1.00 0.00 C ATOM 1195 CD2 PHE X 74 1.773 -7.867 2.894 1.00 0.00 C ATOM 1196 CE1 PHE X 74 3.435 -9.709 4.040 1.00 0.00 C ATOM 1197 CE2 PHE X 74 1.717 -8.100 4.227 1.00 0.00 C ATOM 1198 CZ PHE X 74 2.550 -9.024 4.806 1.00 0.00 C ATOM 0 H PHE X 74 3.532 -10.632 -0.521 1.00 0.00 H new ATOM 0 HA PHE X 74 0.952 -9.475 0.281 1.00 0.00 H new ATOM 0 HB2 PHE X 74 3.720 -8.265 0.319 1.00 0.00 H new ATOM 0 HB3 PHE X 74 2.259 -7.306 0.454 1.00 0.00 H new ATOM 0 HD1 PHE X 74 4.182 -10.018 2.081 1.00 0.00 H new ATOM 0 HD2 PHE X 74 1.115 -7.134 2.451 1.00 0.00 H new ATOM 0 HE1 PHE X 74 4.097 -10.435 4.488 1.00 0.00 H new ATOM 0 HE2 PHE X 74 1.012 -7.555 4.838 1.00 0.00 H new ATOM 0 HZ PHE X 74 2.501 -9.205 5.870 1.00 0.00 H new ATOM 1208 N THR X 75 0.957 -7.812 -1.683 1.00 0.00 N ATOM 1209 CA THR X 75 0.678 -7.205 -2.920 1.00 0.00 C ATOM 1210 C THR X 75 1.153 -5.767 -2.800 1.00 0.00 C ATOM 1211 O THR X 75 0.926 -5.126 -1.753 1.00 0.00 O ATOM 1212 CB THR X 75 -0.869 -7.265 -3.131 1.00 0.00 C ATOM 1213 OG1 THR X 75 -1.546 -6.628 -2.044 1.00 0.00 O ATOM 1214 CG2 THR X 75 -1.345 -8.707 -3.199 1.00 0.00 C ATOM 0 H THR X 75 0.458 -7.394 -0.897 1.00 0.00 H new ATOM 0 HA THR X 75 1.168 -7.692 -3.763 1.00 0.00 H new ATOM 0 HB THR X 75 -1.093 -6.753 -4.067 1.00 0.00 H new ATOM 0 HG1 THR X 75 -1.457 -7.176 -1.237 1.00 0.00 H new ATOM 0 HG21 THR X 75 -2.425 -8.727 -3.346 1.00 0.00 H new ATOM 0 HG22 THR X 75 -0.856 -9.213 -4.031 1.00 0.00 H new ATOM 0 HG23 THR X 75 -1.096 -9.217 -2.268 1.00 0.00 H new ATOM 1222 N GLU X 76 1.872 -5.273 -3.802 1.00 0.00 N ATOM 1223 CA GLU X 76 2.380 -3.935 -3.724 1.00 0.00 C ATOM 1224 C GLU X 76 1.504 -3.026 -4.526 1.00 0.00 C ATOM 1225 O GLU X 76 1.363 -3.200 -5.752 1.00 0.00 O ATOM 1226 CB GLU X 76 3.822 -3.851 -4.252 1.00 0.00 C ATOM 1227 CG GLU X 76 4.341 -2.418 -4.402 1.00 0.00 C ATOM 1228 CD GLU X 76 5.658 -2.323 -5.142 1.00 0.00 C ATOM 1229 OE1 GLU X 76 5.721 -2.760 -6.305 1.00 0.00 O ATOM 1230 OE2 GLU X 76 6.634 -1.787 -4.577 1.00 0.00 O ATOM 0 H GLU X 76 2.106 -5.778 -4.657 1.00 0.00 H new ATOM 0 HA GLU X 76 2.383 -3.631 -2.677 1.00 0.00 H new ATOM 0 HB2 GLU X 76 4.479 -4.397 -3.575 1.00 0.00 H new ATOM 0 HB3 GLU X 76 3.875 -4.350 -5.220 1.00 0.00 H new ATOM 0 HG2 GLU X 76 3.594 -1.824 -4.929 1.00 0.00 H new ATOM 0 HG3 GLU X 76 4.458 -1.978 -3.412 1.00 0.00 H new ATOM 1237 N ASN X 77 0.942 -2.039 -3.885 1.00 0.00 N ATOM 1238 CA ASN X 77 0.106 -1.146 -4.596 1.00 0.00 C ATOM 1239 C ASN X 77 0.251 0.253 -4.063 1.00 0.00 C ATOM 1240 O ASN X 77 0.255 0.476 -2.845 1.00 0.00 O ATOM 1241 CB ASN X 77 -1.317 -1.712 -4.719 1.00 0.00 C ATOM 1242 CG ASN X 77 -2.178 -1.785 -3.493 1.00 0.00 C ATOM 1243 OD1 ASN X 77 -3.375 -1.713 -3.621 1.00 0.00 O ATOM 1244 ND2 ASN X 77 -1.609 -1.974 -2.325 1.00 0.00 N ATOM 0 H ASN X 77 1.051 -1.844 -2.890 1.00 0.00 H new ATOM 0 HA ASN X 77 0.425 -1.053 -5.634 1.00 0.00 H new ATOM 0 HB2 ASN X 77 -1.847 -1.112 -5.458 1.00 0.00 H new ATOM 0 HB3 ASN X 77 -1.236 -2.720 -5.125 1.00 0.00 H new ATOM 0 HD21 ASN X 77 -2.183 -2.065 -1.487 1.00 0.00 H new ATOM 0 HD22 ASN X 77 -0.593 -2.030 -2.256 1.00 0.00 H new ATOM 1251 N TYR X 78 0.432 1.184 -4.958 1.00 0.00 N ATOM 1252 CA TYR X 78 0.852 2.521 -4.564 1.00 0.00 C ATOM 1253 C TYR X 78 0.041 3.646 -5.215 1.00 0.00 C ATOM 1254 O TYR X 78 -0.444 3.501 -6.336 1.00 0.00 O ATOM 1255 CB TYR X 78 2.368 2.685 -4.824 1.00 0.00 C ATOM 1256 CG TYR X 78 2.833 2.718 -6.273 1.00 0.00 C ATOM 1257 CD1 TYR X 78 2.450 1.752 -7.197 1.00 0.00 C ATOM 1258 CD2 TYR X 78 3.681 3.726 -6.700 1.00 0.00 C ATOM 1259 CE1 TYR X 78 2.892 1.798 -8.502 1.00 0.00 C ATOM 1260 CE2 TYR X 78 4.128 3.778 -8.005 1.00 0.00 C ATOM 1261 CZ TYR X 78 3.727 2.816 -8.900 1.00 0.00 C ATOM 1262 OH TYR X 78 4.168 2.865 -10.199 1.00 0.00 O ATOM 0 H TYR X 78 0.299 1.054 -5.961 1.00 0.00 H new ATOM 0 HA TYR X 78 0.652 2.617 -3.497 1.00 0.00 H new ATOM 0 HB2 TYR X 78 2.693 3.609 -4.345 1.00 0.00 H new ATOM 0 HB3 TYR X 78 2.886 1.867 -4.323 1.00 0.00 H new ATOM 0 HD1 TYR X 78 1.795 0.952 -6.887 1.00 0.00 H new ATOM 0 HD2 TYR X 78 3.998 4.485 -6.000 1.00 0.00 H new ATOM 0 HE1 TYR X 78 2.585 1.040 -9.207 1.00 0.00 H new ATOM 0 HE2 TYR X 78 4.790 4.571 -8.321 1.00 0.00 H new ATOM 0 HH TYR X 78 4.749 3.645 -10.318 1.00 0.00 H new ATOM 1272 N LEU X 79 -0.120 4.740 -4.476 1.00 0.00 N ATOM 1273 CA LEU X 79 -0.866 5.923 -4.916 1.00 0.00 C ATOM 1274 C LEU X 79 -0.293 6.584 -6.163 1.00 0.00 C ATOM 1275 O LEU X 79 0.890 6.921 -6.224 1.00 0.00 O ATOM 1276 CB LEU X 79 -0.967 6.955 -3.781 1.00 0.00 C ATOM 1277 CG LEU X 79 -1.569 8.331 -4.139 1.00 0.00 C ATOM 1278 CD1 LEU X 79 -2.969 8.201 -4.697 1.00 0.00 C ATOM 1279 CD2 LEU X 79 -1.565 9.243 -2.928 1.00 0.00 C ATOM 0 H LEU X 79 0.270 4.834 -3.538 1.00 0.00 H new ATOM 0 HA LEU X 79 -1.859 5.561 -5.182 1.00 0.00 H new ATOM 0 HB2 LEU X 79 -1.566 6.521 -2.980 1.00 0.00 H new ATOM 0 HB3 LEU X 79 0.033 7.117 -3.379 1.00 0.00 H new ATOM 0 HG LEU X 79 -0.944 8.772 -4.915 1.00 0.00 H new ATOM 0 HD11 LEU X 79 -3.358 9.190 -4.937 1.00 0.00 H new ATOM 0 HD12 LEU X 79 -2.945 7.592 -5.600 1.00 0.00 H new ATOM 0 HD13 LEU X 79 -3.613 7.727 -3.956 1.00 0.00 H new ATOM 0 HD21 LEU X 79 -1.993 10.208 -3.198 1.00 0.00 H new ATOM 0 HD22 LEU X 79 -2.158 8.793 -2.132 1.00 0.00 H new ATOM 0 HD23 LEU X 79 -0.541 9.384 -2.582 1.00 0.00 H new