USER MOD reduce.3.24.130724 H: found=0, std=0, add=687, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 689 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 29 LYS NZ :NH3+ 155:sc= -0.193 (180deg=-0.72) USER MOD Set 1.2: A 74 CYS SG : rot -22:sc= -0.109 USER MOD Set 2.1: A 8 LYS NZ :NH3+ -153:sc= 2.35 (180deg=1.9) USER MOD Set 2.2: A 11 SER OG : rot 180:sc= -0.0165 USER MOD Single : A 10 MET CE :methyl -146:sc= -2.26! (180deg=-4.35!) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 132:sc= 1.24 (180deg=-0.465) USER MOD Single : A 17 GLN : amide:sc= 0.741 K(o=0.74,f=-0.58) USER MOD Single : A 19 SER OG : rot 68:sc= 0.548 USER MOD Single : A 23 ASN : amide:sc= -2.46! C(o=-2.5!,f=-9.3!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc=-0.000458 X(o=-0.00046,f=0) USER MOD Single : A 38 GLN : amide:sc= -0.799 K(o=-0.8,f=-2.2!) USER MOD Single : A 39 SER OG : rot -25:sc= 1.18 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -158:sc= -0.16 (180deg=-0.662) USER MOD Single : A 46 ASN : amide:sc= -0.086 X(o=-0.086,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 58 THR OG1 : rot -27:sc= -0.522 USER MOD Single : A 60 LYS NZ :NH3+ 179:sc= -0.081 (180deg=-0.183) USER MOD Single : A 62 SER OG : rot 180:sc= -0.321 USER MOD Single : A 63 THR OG1 : rot 158:sc= -0.518 USER MOD Single : A 70 TYR OH : rot -20:sc= 1.02 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -48:sc= 1.23 USER MOD Single : B 203 THR OG1 : rot 119:sc= 1.37 USER MOD Single : B 208 LYS NZ :NH3+ -178:sc= 1.3 (180deg=1.28) USER MOD Single : B 210 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 211 TYR OH : rot 106:sc= 0.371 USER MOD ----------------------------------------------------------------- ATOM 104 N LYS A 8 -14.621 6.036 -4.168 1.00 0.00 N ATOM 105 CA LYS A 8 -14.393 5.678 -5.549 1.00 0.00 C ATOM 106 C LYS A 8 -13.297 4.620 -5.682 1.00 0.00 C ATOM 107 O LYS A 8 -12.249 4.713 -5.039 1.00 0.00 O ATOM 108 CB LYS A 8 -13.987 6.955 -6.279 1.00 0.00 C ATOM 109 CG LYS A 8 -14.352 7.019 -7.747 1.00 0.00 C ATOM 110 CD LYS A 8 -13.335 6.330 -8.657 1.00 0.00 C ATOM 111 CE LYS A 8 -11.994 7.057 -8.705 1.00 0.00 C ATOM 112 NZ LYS A 8 -10.985 6.294 -9.489 1.00 0.00 N ATOM 0 HA LYS A 8 -15.298 5.247 -5.977 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.448 7.803 -5.772 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -12.908 7.076 -6.187 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -15.329 6.557 -7.891 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -14.446 8.063 -8.045 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -13.177 5.309 -8.310 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -13.743 6.264 -9.665 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -12.130 8.043 -9.148 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -11.627 7.211 -7.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -10.031 6.529 -9.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -11.153 5.274 -9.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -11.065 6.544 -10.495 1.00 0.00 H new ATOM 126 N PRO A 9 -13.527 3.614 -6.539 1.00 0.00 N ATOM 127 CA PRO A 9 -12.564 2.534 -6.778 1.00 0.00 C ATOM 128 C PRO A 9 -11.250 3.064 -7.327 1.00 0.00 C ATOM 129 O PRO A 9 -11.232 3.894 -8.237 1.00 0.00 O ATOM 130 CB PRO A 9 -13.261 1.639 -7.812 1.00 0.00 C ATOM 131 CG PRO A 9 -14.317 2.494 -8.426 1.00 0.00 C ATOM 132 CD PRO A 9 -14.742 3.462 -7.356 1.00 0.00 C ATOM 0 HA PRO A 9 -12.305 2.006 -5.860 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -12.556 1.284 -8.564 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -13.694 0.757 -7.340 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -13.933 3.022 -9.299 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -15.160 1.891 -8.763 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -15.065 4.413 -7.779 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -15.575 3.074 -6.770 1.00 0.00 H new ATOM 140 N MET A 10 -10.155 2.594 -6.757 1.00 0.00 N ATOM 141 CA MET A 10 -8.836 3.057 -7.138 1.00 0.00 C ATOM 142 C MET A 10 -8.483 2.567 -8.540 1.00 0.00 C ATOM 143 O MET A 10 -8.365 1.363 -8.768 1.00 0.00 O ATOM 144 CB MET A 10 -7.792 2.586 -6.131 1.00 0.00 C ATOM 145 CG MET A 10 -6.518 3.398 -6.200 1.00 0.00 C ATOM 146 SD MET A 10 -6.752 5.068 -5.580 1.00 0.00 S ATOM 147 CE MET A 10 -5.633 5.054 -4.194 1.00 0.00 C ATOM 0 H MET A 10 -10.156 1.886 -6.023 1.00 0.00 H new ATOM 0 HA MET A 10 -8.842 4.147 -7.144 1.00 0.00 H new ATOM 0 HB2 MET A 10 -8.207 2.650 -5.125 1.00 0.00 H new ATOM 0 HB3 MET A 10 -7.561 1.537 -6.315 1.00 0.00 H new ATOM 0 HG2 MET A 10 -5.740 2.902 -5.621 1.00 0.00 H new ATOM 0 HG3 MET A 10 -6.170 3.440 -7.232 1.00 0.00 H new ATOM 0 HE1 MET A 10 -6.039 5.671 -3.393 1.00 0.00 H new ATOM 0 HE2 MET A 10 -5.509 4.032 -3.837 1.00 0.00 H new ATOM 0 HE3 MET A 10 -4.666 5.451 -4.503 1.00 0.00 H new ATOM 157 N SER A 11 -8.330 3.497 -9.475 1.00 0.00 N ATOM 158 CA SER A 11 -8.040 3.142 -10.865 1.00 0.00 C ATOM 159 C SER A 11 -6.573 2.746 -11.032 1.00 0.00 C ATOM 160 O SER A 11 -5.788 2.861 -10.092 1.00 0.00 O ATOM 161 CB SER A 11 -8.387 4.301 -11.802 1.00 0.00 C ATOM 162 OG SER A 11 -9.720 4.739 -11.597 1.00 0.00 O ATOM 0 H SER A 11 -8.401 4.499 -9.300 1.00 0.00 H new ATOM 0 HA SER A 11 -8.659 2.285 -11.129 1.00 0.00 H new ATOM 0 HB2 SER A 11 -7.698 5.129 -11.633 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.259 3.987 -12.838 1.00 0.00 H new ATOM 0 HG SER A 11 -9.918 5.481 -12.206 1.00 0.00 H new ATOM 168 N TYR A 12 -6.207 2.290 -12.229 1.00 0.00 N ATOM 169 CA TYR A 12 -4.853 1.800 -12.490 1.00 0.00 C ATOM 170 C TYR A 12 -3.797 2.846 -12.154 1.00 0.00 C ATOM 171 O TYR A 12 -2.881 2.583 -11.369 1.00 0.00 O ATOM 172 CB TYR A 12 -4.707 1.357 -13.955 1.00 0.00 C ATOM 173 CG TYR A 12 -3.265 1.258 -14.414 1.00 0.00 C ATOM 174 CD1 TYR A 12 -2.318 0.582 -13.655 1.00 0.00 C ATOM 175 CD2 TYR A 12 -2.848 1.865 -15.591 1.00 0.00 C ATOM 176 CE1 TYR A 12 -0.999 0.517 -14.048 1.00 0.00 C ATOM 177 CE2 TYR A 12 -1.528 1.799 -15.997 1.00 0.00 C ATOM 178 CZ TYR A 12 -0.609 1.125 -15.222 1.00 0.00 C ATOM 179 OH TYR A 12 0.706 1.070 -15.617 1.00 0.00 O ATOM 0 H TYR A 12 -6.830 2.249 -13.035 1.00 0.00 H new ATOM 0 HA TYR A 12 -4.692 0.940 -11.840 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -5.189 0.388 -14.083 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -5.236 2.063 -14.595 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -2.622 0.098 -12.739 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -3.565 2.397 -16.198 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -0.276 -0.007 -13.440 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -1.219 2.273 -16.917 1.00 0.00 H new ATOM 0 HH TYR A 12 0.813 1.547 -16.466 1.00 0.00 H new ATOM 189 N GLU A 13 -3.928 4.022 -12.746 1.00 0.00 N ATOM 190 CA GLU A 13 -2.951 5.088 -12.563 1.00 0.00 C ATOM 191 C GLU A 13 -2.825 5.465 -11.093 1.00 0.00 C ATOM 192 O GLU A 13 -1.763 5.895 -10.636 1.00 0.00 O ATOM 193 CB GLU A 13 -3.356 6.298 -13.399 1.00 0.00 C ATOM 194 CG GLU A 13 -3.331 6.014 -14.890 1.00 0.00 C ATOM 195 CD GLU A 13 -4.130 7.020 -15.688 1.00 0.00 C ATOM 196 OE1 GLU A 13 -5.136 6.625 -16.312 1.00 0.00 O ATOM 197 OE2 GLU A 13 -3.765 8.215 -15.687 1.00 0.00 O ATOM 0 H GLU A 13 -4.705 4.265 -13.361 1.00 0.00 H new ATOM 0 HA GLU A 13 -1.975 4.734 -12.897 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -4.358 6.615 -13.110 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -2.684 7.128 -13.180 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.298 6.017 -15.239 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -3.727 5.015 -15.072 1.00 0.00 H new ATOM 204 N GLU A 14 -3.898 5.257 -10.348 1.00 0.00 N ATOM 205 CA GLU A 14 -3.905 5.568 -8.936 1.00 0.00 C ATOM 206 C GLU A 14 -3.252 4.435 -8.163 1.00 0.00 C ATOM 207 O GLU A 14 -2.407 4.668 -7.308 1.00 0.00 O ATOM 208 CB GLU A 14 -5.340 5.785 -8.450 1.00 0.00 C ATOM 209 CG GLU A 14 -6.035 7.004 -9.039 1.00 0.00 C ATOM 210 CD GLU A 14 -7.462 7.158 -8.536 1.00 0.00 C ATOM 211 OE1 GLU A 14 -7.709 8.061 -7.708 1.00 0.00 O ATOM 212 OE2 GLU A 14 -8.343 6.377 -8.966 1.00 0.00 O ATOM 0 H GLU A 14 -4.774 4.873 -10.702 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.342 6.486 -8.768 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.928 4.898 -8.689 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.331 5.879 -7.364 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.466 7.899 -8.789 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.043 6.925 -10.126 1.00 0.00 H new ATOM 219 N LYS A 15 -3.659 3.209 -8.481 1.00 0.00 N ATOM 220 CA LYS A 15 -3.070 2.016 -7.916 1.00 0.00 C ATOM 221 C LYS A 15 -1.560 1.983 -8.083 1.00 0.00 C ATOM 222 O LYS A 15 -0.832 1.759 -7.119 1.00 0.00 O ATOM 223 CB LYS A 15 -3.666 0.781 -8.569 1.00 0.00 C ATOM 224 CG LYS A 15 -5.065 0.453 -8.085 1.00 0.00 C ATOM 225 CD LYS A 15 -5.439 -0.961 -8.474 1.00 0.00 C ATOM 226 CE LYS A 15 -6.657 -1.461 -7.718 1.00 0.00 C ATOM 227 NZ LYS A 15 -7.264 -2.641 -8.385 1.00 0.00 N ATOM 0 H LYS A 15 -4.412 3.023 -9.143 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.292 2.027 -6.849 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.689 0.927 -9.649 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.015 -0.072 -8.376 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.118 0.565 -7.002 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.779 1.156 -8.514 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.637 -1.001 -9.545 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.596 -1.624 -8.281 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.372 -1.724 -6.699 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -7.395 -0.662 -7.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -7.440 -3.385 -7.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.163 -2.365 -8.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -6.614 -3.001 -9.113 1.00 0.00 H new ATOM 241 N ARG A 16 -1.093 2.189 -9.307 1.00 0.00 N ATOM 242 CA ARG A 16 0.333 2.151 -9.579 1.00 0.00 C ATOM 243 C ARG A 16 1.051 3.236 -8.808 1.00 0.00 C ATOM 244 O ARG A 16 2.114 2.985 -8.240 1.00 0.00 O ATOM 245 CB ARG A 16 0.626 2.280 -11.081 1.00 0.00 C ATOM 246 CG ARG A 16 2.044 2.712 -11.416 1.00 0.00 C ATOM 247 CD ARG A 16 2.370 2.412 -12.868 1.00 0.00 C ATOM 248 NE ARG A 16 2.500 0.977 -13.124 1.00 0.00 N ATOM 249 CZ ARG A 16 3.621 0.402 -13.568 1.00 0.00 C ATOM 250 NH1 ARG A 16 4.724 1.126 -13.737 1.00 0.00 N ATOM 251 NH2 ARG A 16 3.644 -0.902 -13.827 1.00 0.00 N ATOM 0 H ARG A 16 -1.678 2.383 -10.120 1.00 0.00 H new ATOM 0 HA ARG A 16 0.704 1.180 -9.250 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.430 1.320 -11.559 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.070 2.999 -11.513 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.158 3.779 -11.226 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.750 2.195 -10.766 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.588 2.823 -13.506 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.299 2.913 -13.140 1.00 0.00 H new ATOM 0 HE ARG A 16 1.689 0.382 -12.954 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.716 2.124 -13.527 1.00 0.00 H new ATOM 0 HH12 ARG A 16 5.578 0.683 -14.076 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.805 -1.465 -13.687 1.00 0.00 H new ATOM 0 HH22 ARG A 16 4.501 -1.340 -14.166 1.00 0.00 H new ATOM 265 N GLN A 17 0.475 4.432 -8.759 1.00 0.00 N ATOM 266 CA GLN A 17 1.110 5.488 -8.010 1.00 0.00 C ATOM 267 C GLN A 17 1.071 5.146 -6.527 1.00 0.00 C ATOM 268 O GLN A 17 2.030 5.382 -5.814 1.00 0.00 O ATOM 269 CB GLN A 17 0.477 6.857 -8.302 1.00 0.00 C ATOM 270 CG GLN A 17 1.179 7.992 -7.585 1.00 0.00 C ATOM 271 CD GLN A 17 2.619 8.145 -8.025 1.00 0.00 C ATOM 272 OE1 GLN A 17 2.954 7.929 -9.188 1.00 0.00 O ATOM 273 NE2 GLN A 17 3.488 8.468 -7.087 1.00 0.00 N ATOM 0 H GLN A 17 -0.402 4.682 -9.216 1.00 0.00 H new ATOM 0 HA GLN A 17 2.151 5.566 -8.324 1.00 0.00 H new ATOM 0 HB2 GLN A 17 0.501 7.042 -9.376 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -0.572 6.838 -8.005 1.00 0.00 H new ATOM 0 HG2 GLN A 17 0.644 8.923 -7.771 1.00 0.00 H new ATOM 0 HG3 GLN A 17 1.147 7.815 -6.510 1.00 0.00 H new ATOM 0 HE21 GLN A 17 3.169 8.639 -6.133 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.479 8.547 -7.315 1.00 0.00 H new ATOM 282 N LEU A 18 -0.013 4.509 -6.106 1.00 0.00 N ATOM 283 CA LEU A 18 -0.216 4.112 -4.727 1.00 0.00 C ATOM 284 C LEU A 18 0.840 3.121 -4.289 1.00 0.00 C ATOM 285 O LEU A 18 1.407 3.245 -3.209 1.00 0.00 O ATOM 286 CB LEU A 18 -1.612 3.512 -4.553 1.00 0.00 C ATOM 287 CG LEU A 18 -2.401 4.027 -3.347 1.00 0.00 C ATOM 288 CD1 LEU A 18 -2.271 3.074 -2.178 1.00 0.00 C ATOM 289 CD2 LEU A 18 -1.900 5.376 -2.901 1.00 0.00 C ATOM 0 H LEU A 18 -0.783 4.252 -6.723 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.130 4.998 -4.099 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.190 3.711 -5.456 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.516 2.430 -4.468 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.442 4.106 -3.659 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.839 3.458 -1.331 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.659 2.096 -2.461 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.221 2.981 -1.899 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.481 5.714 -2.043 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.849 5.300 -2.621 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.007 6.092 -3.716 1.00 0.00 H new ATOM 301 N SER A 19 1.114 2.147 -5.143 1.00 0.00 N ATOM 302 CA SER A 19 2.150 1.174 -4.864 1.00 0.00 C ATOM 303 C SER A 19 3.494 1.884 -4.726 1.00 0.00 C ATOM 304 O SER A 19 4.371 1.456 -3.975 1.00 0.00 O ATOM 305 CB SER A 19 2.215 0.135 -5.979 1.00 0.00 C ATOM 306 OG SER A 19 0.921 -0.350 -6.302 1.00 0.00 O ATOM 0 H SER A 19 0.633 2.012 -6.032 1.00 0.00 H new ATOM 0 HA SER A 19 1.917 0.663 -3.930 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.673 0.576 -6.865 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.851 -0.695 -5.670 1.00 0.00 H new ATOM 0 HG SER A 19 0.400 0.364 -6.724 1.00 0.00 H new ATOM 312 N LEU A 20 3.629 2.980 -5.463 1.00 0.00 N ATOM 313 CA LEU A 20 4.826 3.813 -5.407 1.00 0.00 C ATOM 314 C LEU A 20 4.862 4.680 -4.138 1.00 0.00 C ATOM 315 O LEU A 20 5.872 4.697 -3.436 1.00 0.00 O ATOM 316 CB LEU A 20 4.912 4.698 -6.651 1.00 0.00 C ATOM 317 CG LEU A 20 5.120 3.958 -7.971 1.00 0.00 C ATOM 318 CD1 LEU A 20 5.049 4.923 -9.145 1.00 0.00 C ATOM 319 CD2 LEU A 20 6.449 3.231 -7.957 1.00 0.00 C ATOM 0 H LEU A 20 2.918 3.315 -6.112 1.00 0.00 H new ATOM 0 HA LEU A 20 5.688 3.147 -5.376 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.995 5.283 -6.723 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.731 5.404 -6.517 1.00 0.00 H new ATOM 0 HG LEU A 20 4.322 3.224 -8.088 1.00 0.00 H new ATOM 0 HD11 LEU A 20 5.200 4.376 -10.075 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.071 5.405 -9.162 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.825 5.681 -9.040 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.587 2.707 -8.903 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.256 3.951 -7.820 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.462 2.512 -7.138 1.00 0.00 H new ATOM 331 N ASP A 21 3.777 5.412 -3.848 1.00 0.00 N ATOM 332 CA ASP A 21 3.686 6.203 -2.631 1.00 0.00 C ATOM 333 C ASP A 21 3.959 5.327 -1.411 1.00 0.00 C ATOM 334 O ASP A 21 4.666 5.723 -0.479 1.00 0.00 O ATOM 335 CB ASP A 21 2.326 6.866 -2.499 1.00 0.00 C ATOM 336 CG ASP A 21 1.689 7.317 -3.798 1.00 0.00 C ATOM 337 OD1 ASP A 21 0.535 6.937 -4.069 1.00 0.00 O ATOM 338 OD2 ASP A 21 2.321 8.116 -4.529 1.00 0.00 O ATOM 0 H ASP A 21 2.953 5.467 -4.447 1.00 0.00 H new ATOM 0 HA ASP A 21 4.440 6.988 -2.688 1.00 0.00 H new ATOM 0 HB2 ASP A 21 1.648 6.169 -2.005 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.426 7.732 -1.844 1.00 0.00 H new ATOM 343 N ILE A 22 3.423 4.119 -1.455 1.00 0.00 N ATOM 344 CA ILE A 22 3.620 3.139 -0.393 1.00 0.00 C ATOM 345 C ILE A 22 5.078 2.680 -0.320 1.00 0.00 C ATOM 346 O ILE A 22 5.622 2.486 0.763 1.00 0.00 O ATOM 347 CB ILE A 22 2.690 1.915 -0.570 1.00 0.00 C ATOM 348 CG1 ILE A 22 1.233 2.298 -0.307 1.00 0.00 C ATOM 349 CG2 ILE A 22 3.093 0.793 0.365 1.00 0.00 C ATOM 350 CD1 ILE A 22 0.251 1.233 -0.739 1.00 0.00 C ATOM 0 H ILE A 22 2.840 3.788 -2.224 1.00 0.00 H new ATOM 0 HA ILE A 22 3.364 3.633 0.544 1.00 0.00 H new ATOM 0 HB ILE A 22 2.788 1.572 -1.600 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.102 2.494 0.757 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.007 3.226 -0.832 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.425 -0.057 0.223 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.117 0.490 0.149 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.027 1.138 1.397 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.765 1.566 -0.525 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.356 1.053 -1.809 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.452 0.310 -0.195 1.00 0.00 H new ATOM 362 N ASN A 23 5.721 2.535 -1.467 1.00 0.00 N ATOM 363 CA ASN A 23 7.097 2.054 -1.493 1.00 0.00 C ATOM 364 C ASN A 23 8.078 3.182 -1.174 1.00 0.00 C ATOM 365 O ASN A 23 9.256 2.931 -0.909 1.00 0.00 O ATOM 366 CB ASN A 23 7.426 1.386 -2.840 1.00 0.00 C ATOM 367 CG ASN A 23 8.182 2.270 -3.825 1.00 0.00 C ATOM 368 OD1 ASN A 23 7.590 2.923 -4.676 1.00 0.00 O ATOM 369 ND2 ASN A 23 9.503 2.273 -3.734 1.00 0.00 N ATOM 0 H ASN A 23 5.321 2.740 -2.383 1.00 0.00 H new ATOM 0 HA ASN A 23 7.203 1.296 -0.717 1.00 0.00 H new ATOM 0 HB2 ASN A 23 8.017 0.490 -2.650 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.495 1.061 -3.305 1.00 0.00 H new ATOM 0 HD21 ASN A 23 10.058 2.830 -4.384 1.00 0.00 H new ATOM 0 HD22 ASN A 23 9.966 1.718 -3.014 1.00 0.00 H new ATOM 376 N LYS A 24 7.595 4.424 -1.206 1.00 0.00 N ATOM 377 CA LYS A 24 8.393 5.562 -0.758 1.00 0.00 C ATOM 378 C LYS A 24 8.614 5.497 0.743 1.00 0.00 C ATOM 379 O LYS A 24 9.617 5.998 1.258 1.00 0.00 O ATOM 380 CB LYS A 24 7.707 6.880 -1.083 1.00 0.00 C ATOM 381 CG LYS A 24 7.653 7.203 -2.557 1.00 0.00 C ATOM 382 CD LYS A 24 6.889 8.495 -2.784 1.00 0.00 C ATOM 383 CE LYS A 24 6.634 8.768 -4.251 1.00 0.00 C ATOM 384 NZ LYS A 24 7.892 9.018 -5.009 1.00 0.00 N ATOM 0 H LYS A 24 6.660 4.666 -1.536 1.00 0.00 H new ATOM 0 HA LYS A 24 9.347 5.512 -1.282 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.690 6.854 -0.691 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.228 7.685 -0.565 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.664 7.296 -2.953 1.00 0.00 H new ATOM 0 HG3 LYS A 24 7.172 6.388 -3.098 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.937 8.448 -2.256 1.00 0.00 H new ATOM 0 HD3 LYS A 24 7.450 9.325 -2.356 1.00 0.00 H new ATOM 0 HE2 LYS A 24 6.111 7.919 -4.690 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.977 9.632 -4.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.665 9.200 -6.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 8.380 9.845 -4.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 8.510 8.184 -4.940 1.00 0.00 H new ATOM 398 N LEU A 25 7.649 4.915 1.442 1.00 0.00 N ATOM 399 CA LEU A 25 7.728 4.766 2.879 1.00 0.00 C ATOM 400 C LEU A 25 8.953 3.959 3.274 1.00 0.00 C ATOM 401 O LEU A 25 9.343 3.020 2.581 1.00 0.00 O ATOM 402 CB LEU A 25 6.491 4.057 3.410 1.00 0.00 C ATOM 403 CG LEU A 25 5.150 4.570 2.907 1.00 0.00 C ATOM 404 CD1 LEU A 25 4.054 3.660 3.414 1.00 0.00 C ATOM 405 CD2 LEU A 25 4.902 5.996 3.373 1.00 0.00 C ATOM 0 H LEU A 25 6.797 4.537 1.028 1.00 0.00 H new ATOM 0 HA LEU A 25 7.796 5.766 3.308 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.569 2.999 3.158 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.497 4.127 4.498 1.00 0.00 H new ATOM 0 HG LEU A 25 5.157 4.571 1.817 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.089 4.020 3.058 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.222 2.648 3.046 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.060 3.655 4.504 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.937 6.338 3.000 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.902 6.028 4.463 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.690 6.646 2.991 1.00 0.00 H new ATOM 417 N PRO A 26 9.594 4.347 4.377 1.00 0.00 N ATOM 418 CA PRO A 26 10.643 3.538 4.994 1.00 0.00 C ATOM 419 C PRO A 26 10.122 2.150 5.368 1.00 0.00 C ATOM 420 O PRO A 26 8.910 1.975 5.542 1.00 0.00 O ATOM 421 CB PRO A 26 11.035 4.312 6.255 1.00 0.00 C ATOM 422 CG PRO A 26 10.460 5.687 6.103 1.00 0.00 C ATOM 423 CD PRO A 26 9.364 5.621 5.071 1.00 0.00 C ATOM 0 HA PRO A 26 11.483 3.379 4.318 1.00 0.00 H new ATOM 0 HB2 PRO A 26 10.644 3.824 7.148 1.00 0.00 H new ATOM 0 HB3 PRO A 26 12.119 4.354 6.364 1.00 0.00 H new ATOM 0 HG2 PRO A 26 10.066 6.043 7.055 1.00 0.00 H new ATOM 0 HG3 PRO A 26 11.232 6.391 5.794 1.00 0.00 H new ATOM 0 HD2 PRO A 26 8.378 5.648 5.535 1.00 0.00 H new ATOM 0 HD3 PRO A 26 9.415 6.464 4.382 1.00 0.00 H new ATOM 431 N GLY A 27 11.025 1.179 5.495 1.00 0.00 N ATOM 432 CA GLY A 27 10.630 -0.211 5.707 1.00 0.00 C ATOM 433 C GLY A 27 9.584 -0.387 6.797 1.00 0.00 C ATOM 434 O GLY A 27 8.602 -1.109 6.610 1.00 0.00 O ATOM 0 H GLY A 27 12.033 1.330 5.455 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.241 -0.616 4.773 1.00 0.00 H new ATOM 0 HA3 GLY A 27 11.513 -0.796 5.965 1.00 0.00 H new ATOM 438 N GLU A 28 9.790 0.292 7.922 1.00 0.00 N ATOM 439 CA GLU A 28 8.863 0.243 9.052 1.00 0.00 C ATOM 440 C GLU A 28 7.445 0.639 8.633 1.00 0.00 C ATOM 441 O GLU A 28 6.463 0.033 9.062 1.00 0.00 O ATOM 442 CB GLU A 28 9.346 1.193 10.154 1.00 0.00 C ATOM 443 CG GLU A 28 8.459 1.216 11.387 1.00 0.00 C ATOM 444 CD GLU A 28 8.501 -0.083 12.165 1.00 0.00 C ATOM 445 OE1 GLU A 28 9.524 -0.350 12.831 1.00 0.00 O ATOM 446 OE2 GLU A 28 7.507 -0.836 12.128 1.00 0.00 O ATOM 0 H GLU A 28 10.601 0.890 8.077 1.00 0.00 H new ATOM 0 HA GLU A 28 8.838 -0.783 9.420 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.355 0.905 10.451 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.410 2.202 9.747 1.00 0.00 H new ATOM 0 HG2 GLU A 28 8.770 2.034 12.037 1.00 0.00 H new ATOM 0 HG3 GLU A 28 7.432 1.421 11.086 1.00 0.00 H new ATOM 453 N LYS A 29 7.344 1.640 7.774 1.00 0.00 N ATOM 454 CA LYS A 29 6.056 2.209 7.423 1.00 0.00 C ATOM 455 C LYS A 29 5.272 1.309 6.473 1.00 0.00 C ATOM 456 O LYS A 29 4.044 1.334 6.462 1.00 0.00 O ATOM 457 CB LYS A 29 6.225 3.601 6.818 1.00 0.00 C ATOM 458 CG LYS A 29 6.479 4.735 7.828 1.00 0.00 C ATOM 459 CD LYS A 29 5.898 4.497 9.217 1.00 0.00 C ATOM 460 CE LYS A 29 6.244 5.663 10.125 1.00 0.00 C ATOM 461 NZ LYS A 29 6.115 6.969 9.426 1.00 0.00 N ATOM 0 H LYS A 29 8.140 2.075 7.307 1.00 0.00 H new ATOM 0 HA LYS A 29 5.481 2.293 8.345 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.055 3.573 6.112 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.329 3.841 6.246 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.555 4.886 7.921 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.061 5.659 7.428 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.816 4.382 9.154 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.293 3.570 9.633 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.589 5.651 10.996 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.264 5.547 10.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.938 7.720 10.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.994 7.175 8.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.322 6.927 8.755 1.00 0.00 H new ATOM 475 N LEU A 30 5.955 0.489 5.691 1.00 0.00 N ATOM 476 CA LEU A 30 5.244 -0.484 4.869 1.00 0.00 C ATOM 477 C LEU A 30 4.681 -1.592 5.756 1.00 0.00 C ATOM 478 O LEU A 30 3.854 -2.390 5.322 1.00 0.00 O ATOM 479 CB LEU A 30 6.117 -1.077 3.762 1.00 0.00 C ATOM 480 CG LEU A 30 6.543 -0.119 2.657 1.00 0.00 C ATOM 481 CD1 LEU A 30 7.986 0.285 2.827 1.00 0.00 C ATOM 482 CD2 LEU A 30 6.339 -0.757 1.294 1.00 0.00 C ATOM 0 H LEU A 30 6.971 0.473 5.606 1.00 0.00 H new ATOM 0 HA LEU A 30 4.430 0.043 4.372 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.014 -1.494 4.219 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.577 -1.907 3.307 1.00 0.00 H new ATOM 0 HG LEU A 30 5.922 0.774 2.725 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.269 0.969 2.027 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.114 0.780 3.790 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.619 -0.601 2.787 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.648 -0.059 0.516 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.936 -1.666 1.225 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.286 -1.004 1.162 1.00 0.00 H new ATOM 494 N GLY A 31 5.127 -1.622 7.008 1.00 0.00 N ATOM 495 CA GLY A 31 4.561 -2.540 7.978 1.00 0.00 C ATOM 496 C GLY A 31 3.131 -2.178 8.321 1.00 0.00 C ATOM 497 O GLY A 31 2.377 -2.993 8.853 1.00 0.00 O ATOM 0 H GLY A 31 5.872 -1.025 7.368 1.00 0.00 H new ATOM 0 HA2 GLY A 31 4.595 -3.555 7.582 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.166 -2.531 8.884 1.00 0.00 H new ATOM 501 N ARG A 32 2.765 -0.947 8.013 1.00 0.00 N ATOM 502 CA ARG A 32 1.401 -0.474 8.203 1.00 0.00 C ATOM 503 C ARG A 32 0.486 -0.938 7.067 1.00 0.00 C ATOM 504 O ARG A 32 -0.573 -1.502 7.318 1.00 0.00 O ATOM 505 CB ARG A 32 1.378 1.049 8.293 1.00 0.00 C ATOM 506 CG ARG A 32 -0.006 1.649 8.075 1.00 0.00 C ATOM 507 CD ARG A 32 -0.665 2.056 9.376 1.00 0.00 C ATOM 508 NE ARG A 32 0.139 3.017 10.131 1.00 0.00 N ATOM 509 CZ ARG A 32 -0.377 3.986 10.885 1.00 0.00 C ATOM 510 NH1 ARG A 32 -1.693 4.126 10.979 1.00 0.00 N ATOM 511 NH2 ARG A 32 0.427 4.809 11.552 1.00 0.00 N ATOM 0 H ARG A 32 3.399 -0.248 7.626 1.00 0.00 H new ATOM 0 HA ARG A 32 1.030 -0.898 9.136 1.00 0.00 H new ATOM 0 HB2 ARG A 32 1.747 1.353 9.273 1.00 0.00 H new ATOM 0 HB3 ARG A 32 2.064 1.459 7.552 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.076 2.519 7.423 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -0.637 0.924 7.561 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.642 2.490 9.165 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.835 1.169 9.987 1.00 0.00 H new ATOM 0 HE ARG A 32 1.155 2.940 10.077 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -2.311 3.491 10.473 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -2.087 4.869 11.557 1.00 0.00 H new ATOM 0 HH21 ARG A 32 1.439 4.698 11.486 1.00 0.00 H new ATOM 0 HH22 ARG A 32 0.032 5.551 12.129 1.00 0.00 H new ATOM 525 N VAL A 33 0.889 -0.690 5.821 1.00 0.00 N ATOM 526 CA VAL A 33 0.086 -1.094 4.664 1.00 0.00 C ATOM 527 C VAL A 33 -0.121 -2.595 4.630 1.00 0.00 C ATOM 528 O VAL A 33 -1.222 -3.051 4.336 1.00 0.00 O ATOM 529 CB VAL A 33 0.695 -0.628 3.328 1.00 0.00 C ATOM 530 CG1 VAL A 33 0.336 0.823 3.065 1.00 0.00 C ATOM 531 CG2 VAL A 33 2.199 -0.801 3.322 1.00 0.00 C ATOM 0 H VAL A 33 1.760 -0.215 5.586 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.879 -0.601 4.784 1.00 0.00 H new ATOM 0 HB VAL A 33 0.279 -1.248 2.534 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.773 1.140 2.118 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.748 0.927 3.018 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.725 1.446 3.870 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.600 -0.464 2.366 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.636 -0.211 4.128 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.445 -1.853 3.468 1.00 0.00 H new ATOM 541 N VAL A 34 0.915 -3.367 4.947 1.00 0.00 N ATOM 542 CA VAL A 34 0.755 -4.805 5.027 1.00 0.00 C ATOM 543 C VAL A 34 -0.259 -5.143 6.115 1.00 0.00 C ATOM 544 O VAL A 34 -1.115 -5.993 5.924 1.00 0.00 O ATOM 545 CB VAL A 34 2.091 -5.545 5.277 1.00 0.00 C ATOM 546 CG1 VAL A 34 3.117 -5.184 4.220 1.00 0.00 C ATOM 547 CG2 VAL A 34 2.637 -5.259 6.660 1.00 0.00 C ATOM 0 H VAL A 34 1.854 -3.024 5.148 1.00 0.00 H new ATOM 0 HA VAL A 34 0.390 -5.150 4.060 1.00 0.00 H new ATOM 0 HB VAL A 34 1.886 -6.614 5.212 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.047 -5.717 4.418 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.740 -5.465 3.236 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.302 -4.110 4.244 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.575 -5.796 6.799 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.812 -4.189 6.768 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.917 -5.587 7.410 1.00 0.00 H new ATOM 557 N HIS A 35 -0.194 -4.420 7.231 1.00 0.00 N ATOM 558 CA HIS A 35 -1.136 -4.608 8.323 1.00 0.00 C ATOM 559 C HIS A 35 -2.554 -4.264 7.866 1.00 0.00 C ATOM 560 O HIS A 35 -3.487 -5.028 8.115 1.00 0.00 O ATOM 561 CB HIS A 35 -0.726 -3.759 9.533 1.00 0.00 C ATOM 562 CG HIS A 35 -1.719 -3.759 10.658 1.00 0.00 C ATOM 563 ND1 HIS A 35 -1.743 -4.721 11.645 1.00 0.00 N ATOM 564 CD2 HIS A 35 -2.728 -2.903 10.947 1.00 0.00 C ATOM 565 CE1 HIS A 35 -2.722 -4.457 12.489 1.00 0.00 C ATOM 566 NE2 HIS A 35 -3.332 -3.361 12.088 1.00 0.00 N ATOM 0 H HIS A 35 0.505 -3.697 7.399 1.00 0.00 H new ATOM 0 HA HIS A 35 -1.122 -5.655 8.624 1.00 0.00 H new ATOM 0 HB2 HIS A 35 0.230 -4.123 9.909 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -0.569 -2.732 9.204 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -3.005 -2.024 10.384 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -2.979 -5.041 13.361 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -4.127 -2.923 12.553 1.00 0.00 H new ATOM 575 N ILE A 36 -2.707 -3.121 7.197 1.00 0.00 N ATOM 576 CA ILE A 36 -3.999 -2.723 6.648 1.00 0.00 C ATOM 577 C ILE A 36 -4.500 -3.771 5.667 1.00 0.00 C ATOM 578 O ILE A 36 -5.521 -4.408 5.905 1.00 0.00 O ATOM 579 CB ILE A 36 -3.953 -1.353 5.929 1.00 0.00 C ATOM 580 CG1 ILE A 36 -3.643 -0.227 6.909 1.00 0.00 C ATOM 581 CG2 ILE A 36 -5.292 -1.092 5.255 1.00 0.00 C ATOM 582 CD1 ILE A 36 -3.356 1.092 6.229 1.00 0.00 C ATOM 0 H ILE A 36 -1.952 -2.457 7.024 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.677 -2.634 7.497 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.159 -1.381 5.182 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.487 -0.102 7.588 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.784 -0.510 7.517 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.262 -0.128 4.748 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.493 -1.879 4.527 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.082 -1.083 6.006 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.143 1.851 6.982 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.494 0.982 5.571 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.223 1.396 5.643 1.00 0.00 H new ATOM 594 N ILE A 37 -3.768 -3.955 4.575 1.00 0.00 N ATOM 595 CA ILE A 37 -4.141 -4.922 3.555 1.00 0.00 C ATOM 596 C ILE A 37 -4.458 -6.295 4.157 1.00 0.00 C ATOM 597 O ILE A 37 -5.535 -6.817 3.944 1.00 0.00 O ATOM 598 CB ILE A 37 -3.051 -5.073 2.490 1.00 0.00 C ATOM 599 CG1 ILE A 37 -3.084 -3.890 1.536 1.00 0.00 C ATOM 600 CG2 ILE A 37 -3.245 -6.363 1.727 1.00 0.00 C ATOM 601 CD1 ILE A 37 -1.741 -3.253 1.325 1.00 0.00 C ATOM 0 H ILE A 37 -2.909 -3.443 4.374 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.043 -4.532 3.083 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.079 -5.099 2.983 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -3.476 -4.220 0.574 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -3.776 -3.141 1.922 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.465 -6.460 0.972 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -3.190 -7.205 2.417 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -4.221 -6.355 1.241 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.840 -2.416 0.633 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.356 -2.892 2.279 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.051 -3.988 0.910 1.00 0.00 H new ATOM 613 N GLN A 38 -3.530 -6.861 4.927 1.00 0.00 N ATOM 614 CA GLN A 38 -3.711 -8.205 5.490 1.00 0.00 C ATOM 615 C GLN A 38 -4.972 -8.298 6.352 1.00 0.00 C ATOM 616 O GLN A 38 -5.631 -9.336 6.382 1.00 0.00 O ATOM 617 CB GLN A 38 -2.498 -8.599 6.333 1.00 0.00 C ATOM 618 CG GLN A 38 -1.269 -8.976 5.521 1.00 0.00 C ATOM 619 CD GLN A 38 0.001 -9.010 6.355 1.00 0.00 C ATOM 620 OE1 GLN A 38 0.135 -8.288 7.342 1.00 0.00 O ATOM 621 NE2 GLN A 38 0.942 -9.849 5.962 1.00 0.00 N ATOM 0 H GLN A 38 -2.647 -6.415 5.177 1.00 0.00 H new ATOM 0 HA GLN A 38 -3.818 -8.891 4.650 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -2.243 -7.769 6.992 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.771 -9.440 6.970 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -1.426 -9.954 5.066 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -1.144 -8.262 4.707 1.00 0.00 H new ATOM 0 HE21 GLN A 38 0.794 -10.432 5.138 1.00 0.00 H new ATOM 0 HE22 GLN A 38 1.817 -9.914 6.482 1.00 0.00 H new ATOM 630 N SER A 39 -5.291 -7.227 7.075 1.00 0.00 N ATOM 631 CA SER A 39 -6.475 -7.209 7.915 1.00 0.00 C ATOM 632 C SER A 39 -7.748 -7.041 7.084 1.00 0.00 C ATOM 633 O SER A 39 -8.759 -7.701 7.333 1.00 0.00 O ATOM 634 CB SER A 39 -6.366 -6.092 8.955 1.00 0.00 C ATOM 635 OG SER A 39 -6.307 -4.809 8.358 1.00 0.00 O ATOM 0 H SER A 39 -4.745 -6.366 7.093 1.00 0.00 H new ATOM 0 HA SER A 39 -6.538 -8.169 8.428 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.223 -6.139 9.627 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.475 -6.249 9.563 1.00 0.00 H new ATOM 0 HG SER A 39 -5.954 -4.888 7.447 1.00 0.00 H new ATOM 641 N ARG A 40 -7.685 -6.160 6.095 1.00 0.00 N ATOM 642 CA ARG A 40 -8.830 -5.877 5.236 1.00 0.00 C ATOM 643 C ARG A 40 -9.023 -7.010 4.235 1.00 0.00 C ATOM 644 O ARG A 40 -10.126 -7.251 3.747 1.00 0.00 O ATOM 645 CB ARG A 40 -8.616 -4.545 4.503 1.00 0.00 C ATOM 646 CG ARG A 40 -8.315 -3.381 5.438 1.00 0.00 C ATOM 647 CD ARG A 40 -8.982 -2.094 4.991 1.00 0.00 C ATOM 648 NE ARG A 40 -10.442 -2.191 4.992 1.00 0.00 N ATOM 649 CZ ARG A 40 -11.254 -1.220 5.412 1.00 0.00 C ATOM 650 NH1 ARG A 40 -10.755 -0.091 5.895 1.00 0.00 N ATOM 651 NH2 ARG A 40 -12.572 -1.389 5.367 1.00 0.00 N ATOM 0 H ARG A 40 -6.848 -5.625 5.866 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.727 -5.798 5.850 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.793 -4.656 3.796 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.507 -4.312 3.920 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.651 -3.631 6.445 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.237 -3.229 5.490 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.674 -1.281 5.649 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -8.638 -1.840 3.988 1.00 0.00 H new ATOM 0 HE ARG A 40 -10.865 -3.054 4.651 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -9.745 0.039 5.947 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -11.381 0.648 6.215 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -12.962 -2.262 5.011 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -13.193 -0.646 5.688 1.00 0.00 H new ATOM 665 N GLU A 41 -7.935 -7.705 3.954 1.00 0.00 N ATOM 666 CA GLU A 41 -7.930 -8.823 3.028 1.00 0.00 C ATOM 667 C GLU A 41 -7.477 -10.092 3.749 1.00 0.00 C ATOM 668 O GLU A 41 -6.315 -10.493 3.635 1.00 0.00 O ATOM 669 CB GLU A 41 -6.983 -8.536 1.863 1.00 0.00 C ATOM 670 CG GLU A 41 -7.193 -7.172 1.228 1.00 0.00 C ATOM 671 CD GLU A 41 -8.488 -7.089 0.448 1.00 0.00 C ATOM 672 OE1 GLU A 41 -9.149 -6.029 0.492 1.00 0.00 O ATOM 673 OE2 GLU A 41 -8.862 -8.090 -0.200 1.00 0.00 O ATOM 0 H GLU A 41 -7.023 -7.507 4.366 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.940 -8.964 2.643 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.954 -8.608 2.216 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.114 -9.305 1.102 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -7.192 -6.409 2.006 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.358 -6.952 0.564 1.00 0.00 H new ATOM 680 N PRO A 42 -8.383 -10.742 4.504 1.00 0.00 N ATOM 681 CA PRO A 42 -8.056 -11.938 5.301 1.00 0.00 C ATOM 682 C PRO A 42 -7.566 -13.128 4.464 1.00 0.00 C ATOM 683 O PRO A 42 -7.259 -14.192 5.004 1.00 0.00 O ATOM 684 CB PRO A 42 -9.380 -12.293 5.988 1.00 0.00 C ATOM 685 CG PRO A 42 -10.192 -11.046 5.941 1.00 0.00 C ATOM 686 CD PRO A 42 -9.794 -10.343 4.675 1.00 0.00 C ATOM 0 HA PRO A 42 -7.234 -11.728 5.985 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -9.884 -13.111 5.473 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -9.216 -12.617 7.016 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -11.258 -11.274 5.943 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -9.998 -10.421 6.812 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -10.407 -10.656 3.830 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -9.900 -9.262 4.763 1.00 0.00 H new ATOM 694 N SER A 43 -7.483 -12.948 3.155 1.00 0.00 N ATOM 695 CA SER A 43 -7.061 -14.007 2.263 1.00 0.00 C ATOM 696 C SER A 43 -5.537 -14.059 2.143 1.00 0.00 C ATOM 697 O SER A 43 -4.966 -15.122 1.917 1.00 0.00 O ATOM 698 CB SER A 43 -7.693 -13.791 0.882 1.00 0.00 C ATOM 699 OG SER A 43 -9.110 -13.762 0.966 1.00 0.00 O ATOM 0 H SER A 43 -7.705 -12.069 2.687 1.00 0.00 H new ATOM 0 HA SER A 43 -7.394 -14.960 2.675 1.00 0.00 H new ATOM 0 HB2 SER A 43 -7.332 -12.855 0.456 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.382 -14.589 0.208 1.00 0.00 H new ATOM 0 HG SER A 43 -9.488 -13.621 0.073 1.00 0.00 H new ATOM 705 N LEU A 44 -4.875 -12.920 2.324 1.00 0.00 N ATOM 706 CA LEU A 44 -3.435 -12.844 2.080 1.00 0.00 C ATOM 707 C LEU A 44 -2.625 -12.788 3.368 1.00 0.00 C ATOM 708 O LEU A 44 -1.457 -12.397 3.360 1.00 0.00 O ATOM 709 CB LEU A 44 -3.104 -11.654 1.178 1.00 0.00 C ATOM 710 CG LEU A 44 -3.617 -10.298 1.628 1.00 0.00 C ATOM 711 CD1 LEU A 44 -2.590 -9.619 2.507 1.00 0.00 C ATOM 712 CD2 LEU A 44 -3.950 -9.445 0.416 1.00 0.00 C ATOM 0 H LEU A 44 -5.303 -12.048 2.634 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.150 -13.764 1.570 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.020 -11.593 1.079 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.504 -11.857 0.185 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.527 -10.432 2.213 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.968 -8.647 2.824 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.396 -10.237 3.384 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.665 -9.483 1.947 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.318 -8.473 0.745 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.054 -9.308 -0.190 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.717 -9.941 -0.178 1.00 0.00 H new ATOM 724 N LYS A 45 -3.218 -13.220 4.471 1.00 0.00 N ATOM 725 CA LYS A 45 -2.497 -13.253 5.739 1.00 0.00 C ATOM 726 C LYS A 45 -1.536 -14.436 5.781 1.00 0.00 C ATOM 727 O LYS A 45 -0.889 -14.690 6.795 1.00 0.00 O ATOM 728 CB LYS A 45 -3.458 -13.290 6.932 1.00 0.00 C ATOM 729 CG LYS A 45 -4.425 -14.456 6.921 1.00 0.00 C ATOM 730 CD LYS A 45 -5.555 -14.271 7.925 1.00 0.00 C ATOM 731 CE LYS A 45 -5.155 -14.718 9.323 1.00 0.00 C ATOM 732 NZ LYS A 45 -4.821 -16.166 9.369 1.00 0.00 N ATOM 0 H LYS A 45 -4.183 -13.549 4.517 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.916 -12.334 5.813 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.874 -13.326 7.852 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.028 -12.361 6.953 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.844 -14.570 5.921 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.886 -15.376 7.148 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.849 -13.222 7.950 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.426 -14.839 7.598 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.296 -14.137 9.658 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.970 -14.511 10.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -4.918 -16.514 10.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.468 -16.692 8.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.842 -16.307 9.047 1.00 0.00 H new ATOM 746 N ASN A 46 -1.442 -15.150 4.664 1.00 0.00 N ATOM 747 CA ASN A 46 -0.467 -16.223 4.528 1.00 0.00 C ATOM 748 C ASN A 46 0.907 -15.626 4.238 1.00 0.00 C ATOM 749 O ASN A 46 1.937 -16.246 4.504 1.00 0.00 O ATOM 750 CB ASN A 46 -0.861 -17.200 3.412 1.00 0.00 C ATOM 751 CG ASN A 46 -2.281 -17.719 3.553 1.00 0.00 C ATOM 752 OD1 ASN A 46 -2.555 -18.605 4.364 1.00 0.00 O ATOM 753 ND2 ASN A 46 -3.184 -17.204 2.734 1.00 0.00 N ATOM 0 H ASN A 46 -2.028 -15.005 3.842 1.00 0.00 H new ATOM 0 HA ASN A 46 -0.438 -16.781 5.464 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -0.756 -16.703 2.448 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -0.170 -18.043 3.414 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -4.147 -17.540 2.760 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -2.917 -16.471 2.076 1.00 0.00 H new ATOM 760 N SER A 47 0.910 -14.413 3.690 1.00 0.00 N ATOM 761 CA SER A 47 2.142 -13.678 3.459 1.00 0.00 C ATOM 762 C SER A 47 2.613 -13.040 4.757 1.00 0.00 C ATOM 763 O SER A 47 1.845 -12.370 5.446 1.00 0.00 O ATOM 764 CB SER A 47 1.928 -12.609 2.382 1.00 0.00 C ATOM 765 OG SER A 47 1.584 -13.206 1.145 1.00 0.00 O ATOM 0 H SER A 47 0.066 -13.920 3.398 1.00 0.00 H new ATOM 0 HA SER A 47 2.909 -14.369 3.109 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.138 -11.925 2.693 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.835 -12.016 2.266 1.00 0.00 H new ATOM 0 HG SER A 47 1.450 -12.508 0.471 1.00 0.00 H new ATOM 771 N ASN A 48 3.864 -13.276 5.100 1.00 0.00 N ATOM 772 CA ASN A 48 4.448 -12.691 6.301 1.00 0.00 C ATOM 773 C ASN A 48 4.866 -11.261 5.993 1.00 0.00 C ATOM 774 O ASN A 48 5.353 -10.991 4.902 1.00 0.00 O ATOM 775 CB ASN A 48 5.669 -13.497 6.757 1.00 0.00 C ATOM 776 CG ASN A 48 5.519 -14.047 8.156 1.00 0.00 C ATOM 777 OD1 ASN A 48 5.742 -13.352 9.149 1.00 0.00 O ATOM 778 ND2 ASN A 48 5.178 -15.317 8.233 1.00 0.00 N ATOM 0 H ASN A 48 4.500 -13.869 4.566 1.00 0.00 H new ATOM 0 HA ASN A 48 3.710 -12.705 7.103 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.834 -14.321 6.063 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.554 -12.862 6.714 1.00 0.00 H new ATOM 0 HD21 ASN A 48 5.088 -15.767 9.144 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.004 -15.851 7.381 1.00 0.00 H new ATOM 785 N PRO A 49 4.677 -10.318 6.935 1.00 0.00 N ATOM 786 CA PRO A 49 5.006 -8.895 6.715 1.00 0.00 C ATOM 787 C PRO A 49 6.485 -8.656 6.400 1.00 0.00 C ATOM 788 O PRO A 49 6.857 -7.573 5.965 1.00 0.00 O ATOM 789 CB PRO A 49 4.633 -8.226 8.044 1.00 0.00 C ATOM 790 CG PRO A 49 3.668 -9.162 8.685 1.00 0.00 C ATOM 791 CD PRO A 49 4.112 -10.539 8.283 1.00 0.00 C ATOM 0 HA PRO A 49 4.472 -8.499 5.851 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.512 -8.074 8.670 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.184 -7.246 7.881 1.00 0.00 H new ATOM 0 HG2 PRO A 49 3.674 -9.049 9.769 1.00 0.00 H new ATOM 0 HG3 PRO A 49 2.650 -8.965 8.350 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.854 -10.942 8.972 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.280 -11.243 8.263 1.00 0.00 H new ATOM 799 N ASP A 50 7.315 -9.670 6.611 1.00 0.00 N ATOM 800 CA ASP A 50 8.752 -9.553 6.354 1.00 0.00 C ATOM 801 C ASP A 50 9.090 -10.047 4.944 1.00 0.00 C ATOM 802 O ASP A 50 10.144 -9.733 4.392 1.00 0.00 O ATOM 803 CB ASP A 50 9.552 -10.339 7.406 1.00 0.00 C ATOM 804 CG ASP A 50 11.048 -10.166 7.255 1.00 0.00 C ATOM 805 OD1 ASP A 50 11.571 -9.122 7.703 1.00 0.00 O ATOM 806 OD2 ASP A 50 11.711 -11.072 6.715 1.00 0.00 O ATOM 0 H ASP A 50 7.022 -10.583 6.959 1.00 0.00 H new ATOM 0 HA ASP A 50 9.029 -8.501 6.424 1.00 0.00 H new ATOM 0 HB2 ASP A 50 9.252 -10.013 8.402 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.304 -11.397 7.328 1.00 0.00 H new ATOM 811 N GLU A 51 8.153 -10.785 4.361 1.00 0.00 N ATOM 812 CA GLU A 51 8.319 -11.395 3.045 1.00 0.00 C ATOM 813 C GLU A 51 7.066 -11.151 2.217 1.00 0.00 C ATOM 814 O GLU A 51 6.693 -11.953 1.356 1.00 0.00 O ATOM 815 CB GLU A 51 8.587 -12.895 3.186 1.00 0.00 C ATOM 816 CG GLU A 51 10.053 -13.240 3.367 1.00 0.00 C ATOM 817 CD GLU A 51 10.897 -12.834 2.178 1.00 0.00 C ATOM 818 OE1 GLU A 51 11.821 -12.014 2.351 1.00 0.00 O ATOM 819 OE2 GLU A 51 10.637 -13.336 1.062 1.00 0.00 O ATOM 0 H GLU A 51 7.249 -10.979 4.791 1.00 0.00 H new ATOM 0 HA GLU A 51 9.174 -10.944 2.541 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.026 -13.276 4.039 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.209 -13.407 2.301 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.431 -12.746 4.262 1.00 0.00 H new ATOM 0 HG3 GLU A 51 10.153 -14.313 3.529 1.00 0.00 H new ATOM 826 N ILE A 52 6.416 -10.037 2.518 1.00 0.00 N ATOM 827 CA ILE A 52 5.105 -9.711 1.978 1.00 0.00 C ATOM 828 C ILE A 52 5.121 -9.575 0.455 1.00 0.00 C ATOM 829 O ILE A 52 6.123 -9.174 -0.144 1.00 0.00 O ATOM 830 CB ILE A 52 4.580 -8.389 2.596 1.00 0.00 C ATOM 831 CG1 ILE A 52 3.092 -8.193 2.311 1.00 0.00 C ATOM 832 CG2 ILE A 52 5.345 -7.219 2.027 1.00 0.00 C ATOM 833 CD1 ILE A 52 2.199 -9.305 2.807 1.00 0.00 C ATOM 0 H ILE A 52 6.787 -9.327 3.150 1.00 0.00 H new ATOM 0 HA ILE A 52 4.444 -10.538 2.239 1.00 0.00 H new ATOM 0 HB ILE A 52 4.724 -8.446 3.675 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.770 -7.257 2.767 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.954 -8.088 1.235 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.972 -6.293 2.465 1.00 0.00 H new ATOM 0 HG22 ILE A 52 6.404 -7.329 2.259 1.00 0.00 H new ATOM 0 HG23 ILE A 52 5.212 -7.189 0.946 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.162 -9.077 2.559 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.488 -10.243 2.333 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.301 -9.399 3.888 1.00 0.00 H new ATOM 845 N GLU A 53 4.011 -9.948 -0.157 1.00 0.00 N ATOM 846 CA GLU A 53 3.770 -9.668 -1.556 1.00 0.00 C ATOM 847 C GLU A 53 2.301 -9.278 -1.711 1.00 0.00 C ATOM 848 O GLU A 53 1.423 -10.136 -1.758 1.00 0.00 O ATOM 849 CB GLU A 53 4.110 -10.895 -2.404 1.00 0.00 C ATOM 850 CG GLU A 53 4.336 -10.590 -3.874 1.00 0.00 C ATOM 851 CD GLU A 53 4.521 -11.845 -4.698 1.00 0.00 C ATOM 852 OE1 GLU A 53 3.519 -12.537 -4.970 1.00 0.00 O ATOM 853 OE2 GLU A 53 5.670 -12.145 -5.082 1.00 0.00 O ATOM 0 H GLU A 53 3.254 -10.453 0.304 1.00 0.00 H new ATOM 0 HA GLU A 53 4.403 -8.850 -1.900 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.006 -11.366 -2.000 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.301 -11.620 -2.315 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.487 -10.026 -4.261 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.216 -9.955 -3.980 1.00 0.00 H new ATOM 860 N ILE A 54 2.041 -7.979 -1.754 1.00 0.00 N ATOM 861 CA ILE A 54 0.676 -7.470 -1.792 1.00 0.00 C ATOM 862 C ILE A 54 0.192 -7.382 -3.230 1.00 0.00 C ATOM 863 O ILE A 54 0.894 -6.867 -4.099 1.00 0.00 O ATOM 864 CB ILE A 54 0.557 -6.069 -1.144 1.00 0.00 C ATOM 865 CG1 ILE A 54 1.038 -6.093 0.310 1.00 0.00 C ATOM 866 CG2 ILE A 54 -0.887 -5.583 -1.209 1.00 0.00 C ATOM 867 CD1 ILE A 54 1.222 -4.717 0.907 1.00 0.00 C ATOM 0 H ILE A 54 2.760 -7.255 -1.763 1.00 0.00 H new ATOM 0 HA ILE A 54 0.061 -8.167 -1.222 1.00 0.00 H new ATOM 0 HB ILE A 54 1.192 -5.381 -1.702 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.320 -6.649 0.913 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.984 -6.633 0.363 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.960 -4.597 -0.751 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.204 -5.524 -2.250 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.530 -6.281 -0.673 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.564 -4.810 1.938 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.962 -4.165 0.328 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.273 -4.182 0.887 1.00 0.00 H new ATOM 879 N ASP A 55 -0.999 -7.887 -3.480 1.00 0.00 N ATOM 880 CA ASP A 55 -1.576 -7.832 -4.802 1.00 0.00 C ATOM 881 C ASP A 55 -2.587 -6.697 -4.863 1.00 0.00 C ATOM 882 O ASP A 55 -3.723 -6.825 -4.388 1.00 0.00 O ATOM 883 CB ASP A 55 -2.246 -9.159 -5.152 1.00 0.00 C ATOM 884 CG ASP A 55 -1.493 -10.364 -4.630 1.00 0.00 C ATOM 885 OD1 ASP A 55 -0.321 -10.562 -5.016 1.00 0.00 O ATOM 886 OD2 ASP A 55 -2.076 -11.129 -3.836 1.00 0.00 O ATOM 0 H ASP A 55 -1.586 -8.341 -2.780 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.785 -7.651 -5.529 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.257 -9.166 -4.745 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -2.338 -9.237 -6.235 1.00 0.00 H new ATOM 891 N PHE A 56 -2.175 -5.580 -5.450 1.00 0.00 N ATOM 892 CA PHE A 56 -3.008 -4.382 -5.484 1.00 0.00 C ATOM 893 C PHE A 56 -4.302 -4.631 -6.248 1.00 0.00 C ATOM 894 O PHE A 56 -5.259 -3.867 -6.144 1.00 0.00 O ATOM 895 CB PHE A 56 -2.250 -3.210 -6.108 1.00 0.00 C ATOM 896 CG PHE A 56 -2.447 -1.949 -5.330 1.00 0.00 C ATOM 897 CD1 PHE A 56 -1.920 -1.844 -4.073 1.00 0.00 C ATOM 898 CD2 PHE A 56 -3.183 -0.895 -5.824 1.00 0.00 C ATOM 899 CE1 PHE A 56 -2.112 -0.730 -3.317 1.00 0.00 C ATOM 900 CE2 PHE A 56 -3.377 0.243 -5.062 1.00 0.00 C ATOM 901 CZ PHE A 56 -2.835 0.309 -3.805 1.00 0.00 C ATOM 0 H PHE A 56 -1.270 -5.478 -5.909 1.00 0.00 H new ATOM 0 HA PHE A 56 -3.260 -4.129 -4.454 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -1.187 -3.447 -6.154 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -2.589 -3.062 -7.133 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.340 -2.662 -3.672 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -3.612 -0.957 -6.813 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.688 -0.672 -2.325 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -3.950 1.071 -5.454 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.984 1.192 -3.201 1.00 0.00 H new ATOM 911 N GLU A 57 -4.325 -5.712 -7.004 1.00 0.00 N ATOM 912 CA GLU A 57 -5.466 -6.047 -7.823 1.00 0.00 C ATOM 913 C GLU A 57 -6.500 -6.869 -7.071 1.00 0.00 C ATOM 914 O GLU A 57 -7.636 -7.006 -7.528 1.00 0.00 O ATOM 915 CB GLU A 57 -4.990 -6.794 -9.059 1.00 0.00 C ATOM 916 CG GLU A 57 -4.194 -5.919 -10.000 1.00 0.00 C ATOM 917 CD GLU A 57 -5.024 -4.782 -10.557 1.00 0.00 C ATOM 918 OE1 GLU A 57 -5.183 -3.759 -9.861 1.00 0.00 O ATOM 919 OE2 GLU A 57 -5.520 -4.903 -11.694 1.00 0.00 O ATOM 0 H GLU A 57 -3.555 -6.378 -7.065 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.957 -5.118 -8.112 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.377 -7.642 -8.752 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.853 -7.199 -9.588 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.330 -5.513 -9.474 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.811 -6.525 -10.822 1.00 0.00 H new ATOM 926 N THR A 58 -6.129 -7.397 -5.921 1.00 0.00 N ATOM 927 CA THR A 58 -7.037 -8.240 -5.165 1.00 0.00 C ATOM 928 C THR A 58 -7.626 -7.473 -3.994 1.00 0.00 C ATOM 929 O THR A 58 -8.640 -7.872 -3.423 1.00 0.00 O ATOM 930 CB THR A 58 -6.330 -9.510 -4.660 1.00 0.00 C ATOM 931 OG1 THR A 58 -5.257 -9.171 -3.774 1.00 0.00 O ATOM 932 CG2 THR A 58 -5.787 -10.309 -5.832 1.00 0.00 C ATOM 0 H THR A 58 -5.214 -7.260 -5.492 1.00 0.00 H new ATOM 0 HA THR A 58 -7.843 -8.541 -5.834 1.00 0.00 H new ATOM 0 HB THR A 58 -7.059 -10.113 -4.118 1.00 0.00 H new ATOM 0 HG1 THR A 58 -4.918 -8.279 -3.997 1.00 0.00 H new ATOM 0 HG21 THR A 58 -5.289 -11.205 -5.462 1.00 0.00 H new ATOM 0 HG22 THR A 58 -6.608 -10.595 -6.489 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.073 -9.701 -6.388 1.00 0.00 H new ATOM 940 N LEU A 59 -6.990 -6.357 -3.658 1.00 0.00 N ATOM 941 CA LEU A 59 -7.448 -5.519 -2.560 1.00 0.00 C ATOM 942 C LEU A 59 -8.793 -4.898 -2.895 1.00 0.00 C ATOM 943 O LEU A 59 -9.049 -4.523 -4.042 1.00 0.00 O ATOM 944 CB LEU A 59 -6.439 -4.406 -2.277 1.00 0.00 C ATOM 945 CG LEU A 59 -4.981 -4.856 -2.216 1.00 0.00 C ATOM 946 CD1 LEU A 59 -4.063 -3.674 -1.961 1.00 0.00 C ATOM 947 CD2 LEU A 59 -4.802 -5.903 -1.138 1.00 0.00 C ATOM 0 H LEU A 59 -6.155 -6.012 -4.132 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.548 -6.148 -1.675 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.536 -3.643 -3.050 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.698 -3.934 -1.329 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.715 -5.293 -3.179 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.029 -4.018 -1.921 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.173 -2.947 -2.766 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.326 -3.207 -1.012 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.758 -6.216 -1.104 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.086 -5.484 -0.173 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.432 -6.764 -1.359 1.00 0.00 H new ATOM 959 N LYS A 60 -9.657 -4.815 -1.904 1.00 0.00 N ATOM 960 CA LYS A 60 -10.930 -4.150 -2.065 1.00 0.00 C ATOM 961 C LYS A 60 -10.724 -2.628 -2.014 1.00 0.00 C ATOM 962 O LYS A 60 -9.843 -2.159 -1.288 1.00 0.00 O ATOM 963 CB LYS A 60 -11.897 -4.633 -0.977 1.00 0.00 C ATOM 964 CG LYS A 60 -11.667 -4.031 0.398 1.00 0.00 C ATOM 965 CD LYS A 60 -12.687 -4.547 1.404 1.00 0.00 C ATOM 966 CE LYS A 60 -12.222 -5.811 2.121 1.00 0.00 C ATOM 967 NZ LYS A 60 -11.647 -6.827 1.202 1.00 0.00 N ATOM 0 H LYS A 60 -9.498 -5.203 -0.974 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.366 -4.394 -3.034 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -12.916 -4.406 -1.291 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -11.821 -5.718 -0.900 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -10.661 -4.273 0.740 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -11.730 -2.945 0.337 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -12.889 -3.770 2.141 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -13.626 -4.751 0.890 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -11.476 -5.543 2.869 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -13.065 -6.249 2.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.335 -7.654 1.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -12.369 -7.121 0.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.834 -6.419 0.698 1.00 0.00 H new ATOM 981 N PRO A 61 -11.485 -1.851 -2.827 1.00 0.00 N ATOM 982 CA PRO A 61 -11.375 -0.387 -2.906 1.00 0.00 C ATOM 983 C PRO A 61 -11.030 0.297 -1.583 1.00 0.00 C ATOM 984 O PRO A 61 -10.114 1.122 -1.527 1.00 0.00 O ATOM 985 CB PRO A 61 -12.771 0.031 -3.351 1.00 0.00 C ATOM 986 CG PRO A 61 -13.296 -1.111 -4.153 1.00 0.00 C ATOM 987 CD PRO A 61 -12.496 -2.344 -3.783 1.00 0.00 C ATOM 0 HA PRO A 61 -10.562 -0.096 -3.572 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -13.411 0.234 -2.493 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -12.736 0.944 -3.946 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -14.355 -1.267 -3.948 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -13.205 -0.903 -5.219 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -13.129 -3.109 -3.333 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -12.029 -2.793 -4.660 1.00 0.00 H new ATOM 995 N SER A 62 -11.756 -0.048 -0.523 1.00 0.00 N ATOM 996 CA SER A 62 -11.574 0.603 0.773 1.00 0.00 C ATOM 997 C SER A 62 -10.156 0.411 1.323 1.00 0.00 C ATOM 998 O SER A 62 -9.605 1.318 1.941 1.00 0.00 O ATOM 999 CB SER A 62 -12.624 0.111 1.776 1.00 0.00 C ATOM 1000 OG SER A 62 -12.748 -1.302 1.751 1.00 0.00 O ATOM 0 H SER A 62 -12.474 -0.772 -0.535 1.00 0.00 H new ATOM 0 HA SER A 62 -11.713 1.673 0.621 1.00 0.00 H new ATOM 0 HB2 SER A 62 -12.349 0.435 2.780 1.00 0.00 H new ATOM 0 HB3 SER A 62 -13.588 0.566 1.547 1.00 0.00 H new ATOM 0 HG SER A 62 -13.424 -1.583 2.403 1.00 0.00 H new ATOM 1006 N THR A 63 -9.553 -0.750 1.072 1.00 0.00 N ATOM 1007 CA THR A 63 -8.182 -0.999 1.506 1.00 0.00 C ATOM 1008 C THR A 63 -7.245 -0.083 0.746 1.00 0.00 C ATOM 1009 O THR A 63 -6.475 0.651 1.345 1.00 0.00 O ATOM 1010 CB THR A 63 -7.755 -2.469 1.281 1.00 0.00 C ATOM 1011 OG1 THR A 63 -8.839 -3.348 1.605 1.00 0.00 O ATOM 1012 CG2 THR A 63 -6.548 -2.829 2.133 1.00 0.00 C ATOM 0 H THR A 63 -9.989 -1.526 0.574 1.00 0.00 H new ATOM 0 HA THR A 63 -8.131 -0.801 2.577 1.00 0.00 H new ATOM 0 HB THR A 63 -7.486 -2.582 0.231 1.00 0.00 H new ATOM 0 HG1 THR A 63 -8.711 -4.207 1.150 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.272 -3.868 1.953 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.712 -2.181 1.871 1.00 0.00 H new ATOM 0 HG23 THR A 63 -6.794 -2.697 3.187 1.00 0.00 H new ATOM 1020 N LEU A 64 -7.378 -0.091 -0.577 1.00 0.00 N ATOM 1021 CA LEU A 64 -6.527 0.705 -1.464 1.00 0.00 C ATOM 1022 C LEU A 64 -6.590 2.181 -1.108 1.00 0.00 C ATOM 1023 O LEU A 64 -5.597 2.902 -1.203 1.00 0.00 O ATOM 1024 CB LEU A 64 -6.970 0.488 -2.915 1.00 0.00 C ATOM 1025 CG LEU A 64 -7.067 -0.971 -3.326 1.00 0.00 C ATOM 1026 CD1 LEU A 64 -8.244 -1.162 -4.239 1.00 0.00 C ATOM 1027 CD2 LEU A 64 -5.807 -1.408 -4.026 1.00 0.00 C ATOM 0 H LEU A 64 -8.078 -0.648 -1.067 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.493 0.381 -1.343 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -7.942 0.960 -3.061 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.267 0.994 -3.577 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.197 -1.578 -2.430 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.311 -2.210 -4.532 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.158 -0.871 -3.721 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.119 -0.544 -5.128 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.895 -2.456 -4.313 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.656 -0.799 -4.917 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.957 -1.286 -3.355 1.00 0.00 H new ATOM 1039 N ARG A 65 -7.755 2.621 -0.680 1.00 0.00 N ATOM 1040 CA ARG A 65 -7.946 4.013 -0.319 1.00 0.00 C ATOM 1041 C ARG A 65 -7.456 4.296 1.097 1.00 0.00 C ATOM 1042 O ARG A 65 -7.119 5.438 1.424 1.00 0.00 O ATOM 1043 CB ARG A 65 -9.409 4.396 -0.479 1.00 0.00 C ATOM 1044 CG ARG A 65 -9.881 4.325 -1.922 1.00 0.00 C ATOM 1045 CD ARG A 65 -9.015 5.182 -2.827 1.00 0.00 C ATOM 1046 NE ARG A 65 -9.713 5.546 -4.055 1.00 0.00 N ATOM 1047 CZ ARG A 65 -9.481 6.665 -4.735 1.00 0.00 C ATOM 1048 NH1 ARG A 65 -8.600 7.552 -4.287 1.00 0.00 N ATOM 1049 NH2 ARG A 65 -10.142 6.904 -5.855 1.00 0.00 N ATOM 0 H ARG A 65 -8.584 2.037 -0.573 1.00 0.00 H new ATOM 0 HA ARG A 65 -7.348 4.626 -0.994 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -10.022 3.734 0.132 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -9.559 5.408 -0.102 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -9.857 3.291 -2.265 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -10.917 4.657 -1.985 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -8.717 6.086 -2.296 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -8.101 4.642 -3.074 1.00 0.00 H new ATOM 0 HE ARG A 65 -10.421 4.905 -4.413 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -8.097 7.377 -3.417 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -8.426 8.409 -4.813 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -10.828 6.231 -6.196 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -9.966 7.762 -6.378 1.00 0.00 H new ATOM 1063 N GLU A 66 -7.398 3.261 1.928 1.00 0.00 N ATOM 1064 CA GLU A 66 -6.838 3.396 3.264 1.00 0.00 C ATOM 1065 C GLU A 66 -5.333 3.444 3.177 1.00 0.00 C ATOM 1066 O GLU A 66 -4.686 4.228 3.866 1.00 0.00 O ATOM 1067 CB GLU A 66 -7.265 2.235 4.152 1.00 0.00 C ATOM 1068 CG GLU A 66 -8.646 2.419 4.746 1.00 0.00 C ATOM 1069 CD GLU A 66 -8.675 3.531 5.771 1.00 0.00 C ATOM 1070 OE1 GLU A 66 -8.752 3.226 6.979 1.00 0.00 O ATOM 1071 OE2 GLU A 66 -8.604 4.718 5.382 1.00 0.00 O ATOM 0 H GLU A 66 -7.731 2.324 1.700 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.211 4.320 3.705 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.246 1.314 3.570 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -6.542 2.117 4.959 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.357 2.640 3.950 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.968 1.488 5.212 1.00 0.00 H new ATOM 1078 N LEU A 67 -4.794 2.589 2.321 1.00 0.00 N ATOM 1079 CA LEU A 67 -3.373 2.568 2.032 1.00 0.00 C ATOM 1080 C LEU A 67 -2.918 3.961 1.598 1.00 0.00 C ATOM 1081 O LEU A 67 -1.877 4.465 2.021 1.00 0.00 O ATOM 1082 CB LEU A 67 -3.113 1.568 0.908 1.00 0.00 C ATOM 1083 CG LEU A 67 -3.775 0.225 1.107 1.00 0.00 C ATOM 1084 CD1 LEU A 67 -3.414 -0.721 -0.015 1.00 0.00 C ATOM 1085 CD2 LEU A 67 -3.402 -0.344 2.461 1.00 0.00 C ATOM 0 H LEU A 67 -5.332 1.891 1.808 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.818 2.274 2.923 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.462 1.996 -0.032 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.038 1.419 0.811 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.857 0.357 1.084 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.901 -1.682 0.148 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.746 -0.302 -0.965 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.333 -0.862 -0.039 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.885 -1.312 2.594 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.320 -0.467 2.519 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.732 0.337 3.245 1.00 0.00 H new ATOM 1097 N GLU A 68 -3.745 4.576 0.758 1.00 0.00 N ATOM 1098 CA GLU A 68 -3.467 5.878 0.173 1.00 0.00 C ATOM 1099 C GLU A 68 -3.486 7.000 1.204 1.00 0.00 C ATOM 1100 O GLU A 68 -2.467 7.658 1.429 1.00 0.00 O ATOM 1101 CB GLU A 68 -4.490 6.162 -0.915 1.00 0.00 C ATOM 1102 CG GLU A 68 -4.279 7.477 -1.618 1.00 0.00 C ATOM 1103 CD GLU A 68 -5.208 8.571 -1.138 1.00 0.00 C ATOM 1104 OE1 GLU A 68 -6.435 8.438 -1.338 1.00 0.00 O ATOM 1105 OE2 GLU A 68 -4.721 9.572 -0.578 1.00 0.00 O ATOM 0 H GLU A 68 -4.636 4.178 0.463 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.460 5.846 -0.244 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.458 5.358 -1.650 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.487 6.152 -0.475 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -3.247 7.797 -1.472 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.420 7.335 -2.689 1.00 0.00 H new ATOM 1112 N ARG A 69 -4.656 7.225 1.810 1.00 0.00 N ATOM 1113 CA ARG A 69 -4.816 8.244 2.856 1.00 0.00 C ATOM 1114 C ARG A 69 -3.754 8.067 3.927 1.00 0.00 C ATOM 1115 O ARG A 69 -3.361 9.017 4.611 1.00 0.00 O ATOM 1116 CB ARG A 69 -6.207 8.148 3.480 1.00 0.00 C ATOM 1117 CG ARG A 69 -6.410 9.110 4.624 1.00 0.00 C ATOM 1118 CD ARG A 69 -7.430 8.578 5.615 1.00 0.00 C ATOM 1119 NE ARG A 69 -7.186 7.177 5.974 1.00 0.00 N ATOM 1120 CZ ARG A 69 -6.392 6.773 6.967 1.00 0.00 C ATOM 1121 NH1 ARG A 69 -5.701 7.652 7.684 1.00 0.00 N ATOM 1122 NH2 ARG A 69 -6.287 5.480 7.231 1.00 0.00 N ATOM 0 H ARG A 69 -5.511 6.713 1.594 1.00 0.00 H new ATOM 0 HA ARG A 69 -4.701 9.229 2.403 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.957 8.342 2.713 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.370 7.131 3.835 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -5.461 9.281 5.132 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -6.743 10.073 4.238 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -7.409 9.190 6.517 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -8.429 8.672 5.189 1.00 0.00 H new ATOM 0 HE ARG A 69 -7.658 6.459 5.424 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -5.774 8.648 7.478 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -5.097 7.331 8.441 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -6.811 4.802 6.677 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -5.682 5.162 7.988 1.00 0.00 H new ATOM 1136 N TYR A 70 -3.264 6.852 4.036 1.00 0.00 N ATOM 1137 CA TYR A 70 -2.236 6.545 4.996 1.00 0.00 C ATOM 1138 C TYR A 70 -0.883 7.079 4.538 1.00 0.00 C ATOM 1139 O TYR A 70 -0.257 7.871 5.231 1.00 0.00 O ATOM 1140 CB TYR A 70 -2.139 5.040 5.224 1.00 0.00 C ATOM 1141 CG TYR A 70 -0.796 4.643 5.722 1.00 0.00 C ATOM 1142 CD1 TYR A 70 0.004 3.830 4.959 1.00 0.00 C ATOM 1143 CD2 TYR A 70 -0.303 5.134 6.923 1.00 0.00 C ATOM 1144 CE1 TYR A 70 1.257 3.507 5.365 1.00 0.00 C ATOM 1145 CE2 TYR A 70 0.961 4.808 7.349 1.00 0.00 C ATOM 1146 CZ TYR A 70 1.742 3.996 6.564 1.00 0.00 C ATOM 1147 OH TYR A 70 3.010 3.684 6.973 1.00 0.00 O ATOM 0 H TYR A 70 -3.565 6.060 3.468 1.00 0.00 H new ATOM 0 HA TYR A 70 -2.507 7.030 5.933 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -2.899 4.731 5.942 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -2.350 4.517 4.292 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.369 3.442 4.023 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -0.921 5.780 7.529 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.876 2.868 4.752 1.00 0.00 H new ATOM 0 HE2 TYR A 70 1.336 5.185 8.289 1.00 0.00 H new ATOM 0 HH TYR A 70 3.317 2.881 6.503 1.00 0.00 H new ATOM 1157 N VAL A 71 -0.418 6.637 3.382 1.00 0.00 N ATOM 1158 CA VAL A 71 0.912 7.016 2.932 1.00 0.00 C ATOM 1159 C VAL A 71 0.995 8.496 2.687 1.00 0.00 C ATOM 1160 O VAL A 71 2.003 9.113 2.993 1.00 0.00 O ATOM 1161 CB VAL A 71 1.351 6.267 1.674 1.00 0.00 C ATOM 1162 CG1 VAL A 71 1.357 4.793 1.943 1.00 0.00 C ATOM 1163 CG2 VAL A 71 0.446 6.555 0.494 1.00 0.00 C ATOM 0 H VAL A 71 -0.931 6.026 2.747 1.00 0.00 H new ATOM 0 HA VAL A 71 1.592 6.737 3.737 1.00 0.00 H new ATOM 0 HB VAL A 71 2.353 6.612 1.420 1.00 0.00 H new ATOM 0 HG11 VAL A 71 1.670 4.261 1.045 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.050 4.574 2.755 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.355 4.471 2.225 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.797 6.001 -0.377 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.572 6.248 0.733 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.462 7.623 0.276 1.00 0.00 H new ATOM 1173 N THR A 72 -0.073 9.075 2.176 1.00 0.00 N ATOM 1174 CA THR A 72 -0.091 10.497 1.947 1.00 0.00 C ATOM 1175 C THR A 72 0.022 11.225 3.290 1.00 0.00 C ATOM 1176 O THR A 72 0.552 12.323 3.361 1.00 0.00 O ATOM 1177 CB THR A 72 -1.357 10.937 1.171 1.00 0.00 C ATOM 1178 OG1 THR A 72 -1.169 12.244 0.615 1.00 0.00 O ATOM 1179 CG2 THR A 72 -2.582 10.947 2.066 1.00 0.00 C ATOM 0 H THR A 72 -0.929 8.585 1.915 1.00 0.00 H new ATOM 0 HA THR A 72 0.762 10.763 1.323 1.00 0.00 H new ATOM 0 HB THR A 72 -1.518 10.214 0.371 1.00 0.00 H new ATOM 0 HG1 THR A 72 -1.975 12.510 0.126 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.452 11.260 1.489 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.751 9.946 2.462 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.424 11.642 2.891 1.00 0.00 H new ATOM 1187 N SER A 73 -0.415 10.575 4.371 1.00 0.00 N ATOM 1188 CA SER A 73 -0.318 11.168 5.692 1.00 0.00 C ATOM 1189 C SER A 73 1.137 11.152 6.160 1.00 0.00 C ATOM 1190 O SER A 73 1.568 12.016 6.926 1.00 0.00 O ATOM 1191 CB SER A 73 -1.224 10.426 6.679 1.00 0.00 C ATOM 1192 OG SER A 73 -0.569 9.321 7.281 1.00 0.00 O ATOM 0 H SER A 73 -0.835 9.646 4.351 1.00 0.00 H new ATOM 0 HA SER A 73 -0.654 12.204 5.646 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.556 11.116 7.455 1.00 0.00 H new ATOM 0 HB3 SER A 73 -2.117 10.078 6.159 1.00 0.00 H new ATOM 0 HG SER A 73 -0.122 8.789 6.590 1.00 0.00 H new ATOM 1198 N CYS A 74 1.889 10.171 5.668 1.00 0.00 N ATOM 1199 CA CYS A 74 3.300 10.035 5.999 1.00 0.00 C ATOM 1200 C CYS A 74 4.158 10.880 5.059 1.00 0.00 C ATOM 1201 O CYS A 74 5.096 11.558 5.482 1.00 0.00 O ATOM 1202 CB CYS A 74 3.707 8.564 5.910 1.00 0.00 C ATOM 1203 SG CYS A 74 5.423 8.237 6.380 1.00 0.00 S ATOM 0 H CYS A 74 1.538 9.454 5.033 1.00 0.00 H new ATOM 0 HA CYS A 74 3.460 10.391 7.017 1.00 0.00 H new ATOM 0 HB2 CYS A 74 3.049 7.978 6.551 1.00 0.00 H new ATOM 0 HB3 CYS A 74 3.550 8.217 4.889 1.00 0.00 H new ATOM 0 HG CYS A 74 6.120 9.328 6.265 1.00 0.00 H new ATOM 1209 N LEU A 75 3.816 10.833 3.782 1.00 0.00 N ATOM 1210 CA LEU A 75 4.582 11.508 2.739 1.00 0.00 C ATOM 1211 C LEU A 75 4.348 13.019 2.730 1.00 0.00 C ATOM 1212 O LEU A 75 5.243 13.771 2.358 1.00 0.00 O ATOM 1213 CB LEU A 75 4.240 10.898 1.376 1.00 0.00 C ATOM 1214 CG LEU A 75 4.341 9.378 1.338 1.00 0.00 C ATOM 1215 CD1 LEU A 75 3.776 8.833 0.032 1.00 0.00 C ATOM 1216 CD2 LEU A 75 5.779 8.926 1.535 1.00 0.00 C ATOM 0 H LEU A 75 3.001 10.327 3.436 1.00 0.00 H new ATOM 0 HA LEU A 75 5.641 11.358 2.952 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.227 11.192 1.101 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.909 11.316 0.624 1.00 0.00 H new ATOM 0 HG LEU A 75 3.746 8.978 2.159 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.858 7.746 0.026 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.728 9.118 -0.058 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.337 9.244 -0.807 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.826 7.837 1.504 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.402 9.339 0.742 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.142 9.277 2.501 1.00 0.00 H new ATOM 1228 N ARG A 76 3.156 13.474 3.111 1.00 0.00 N ATOM 1229 CA ARG A 76 2.922 14.906 3.244 1.00 0.00 C ATOM 1230 C ARG A 76 3.725 15.462 4.416 1.00 0.00 C ATOM 1231 O ARG A 76 4.266 16.564 4.346 1.00 0.00 O ATOM 1232 CB ARG A 76 1.439 15.235 3.425 1.00 0.00 C ATOM 1233 CG ARG A 76 0.580 14.968 2.197 1.00 0.00 C ATOM 1234 CD ARG A 76 -0.781 15.623 2.341 1.00 0.00 C ATOM 1235 NE ARG A 76 -0.669 17.067 2.548 1.00 0.00 N ATOM 1236 CZ ARG A 76 -1.293 17.733 3.520 1.00 0.00 C ATOM 1237 NH1 ARG A 76 -2.063 17.088 4.390 1.00 0.00 N ATOM 1238 NH2 ARG A 76 -1.126 19.045 3.635 1.00 0.00 N ATOM 0 H ARG A 76 2.353 12.884 3.329 1.00 0.00 H new ATOM 0 HA ARG A 76 3.251 15.376 2.317 1.00 0.00 H new ATOM 0 HB2 ARG A 76 1.049 14.652 4.259 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.343 16.286 3.698 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.080 15.350 1.307 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.459 13.894 2.058 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.374 15.429 1.448 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.313 15.175 3.181 1.00 0.00 H new ATOM 0 HE ARG A 76 -0.077 17.597 1.909 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -2.179 16.077 4.317 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -2.538 17.604 5.131 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.521 19.541 2.981 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -1.602 19.557 4.378 1.00 0.00 H new ATOM 1409 N TRP B 202 2.845 -5.250 -8.852 1.00 0.00 N ATOM 1410 CA TRP B 202 3.322 -4.876 -7.522 1.00 0.00 C ATOM 1411 C TRP B 202 3.699 -6.135 -6.750 1.00 0.00 C ATOM 1412 O TRP B 202 3.471 -6.253 -5.546 1.00 0.00 O ATOM 1413 CB TRP B 202 2.269 -4.055 -6.769 1.00 0.00 C ATOM 1414 CG TRP B 202 2.815 -3.316 -5.585 1.00 0.00 C ATOM 1415 CD1 TRP B 202 4.042 -2.724 -5.479 1.00 0.00 C ATOM 1416 CD2 TRP B 202 2.143 -3.071 -4.349 1.00 0.00 C ATOM 1417 NE1 TRP B 202 4.172 -2.127 -4.248 1.00 0.00 N ATOM 1418 CE2 TRP B 202 3.020 -2.325 -3.536 1.00 0.00 C ATOM 1419 CE3 TRP B 202 0.885 -3.407 -3.851 1.00 0.00 C ATOM 1420 CZ2 TRP B 202 2.674 -1.909 -2.253 1.00 0.00 C ATOM 1421 CZ3 TRP B 202 0.547 -2.991 -2.575 1.00 0.00 C ATOM 1422 CH2 TRP B 202 1.435 -2.250 -1.792 1.00 0.00 C ATOM 0 HA TRP B 202 4.206 -4.246 -7.623 1.00 0.00 H new ATOM 0 HB2 TRP B 202 1.819 -3.339 -7.457 1.00 0.00 H new ATOM 0 HB3 TRP B 202 1.473 -4.720 -6.435 1.00 0.00 H new ATOM 0 HD1 TRP B 202 4.799 -2.725 -6.250 1.00 0.00 H new ATOM 0 HE1 TRP B 202 4.993 -1.619 -3.919 1.00 0.00 H new ATOM 0 HE3 TRP B 202 0.190 -3.979 -4.448 1.00 0.00 H new ATOM 0 HZ2 TRP B 202 3.360 -1.338 -1.645 1.00 0.00 H new ATOM 0 HZ3 TRP B 202 -0.424 -3.245 -2.176 1.00 0.00 H new ATOM 0 HH2 TRP B 202 1.135 -1.940 -0.802 1.00 0.00 H new ATOM 1433 N THR B 203 4.283 -7.072 -7.478 1.00 0.00 N ATOM 1434 CA THR B 203 4.700 -8.346 -6.927 1.00 0.00 C ATOM 1435 C THR B 203 5.953 -8.178 -6.068 1.00 0.00 C ATOM 1436 O THR B 203 6.340 -7.049 -5.742 1.00 0.00 O ATOM 1437 CB THR B 203 4.969 -9.343 -8.070 1.00 0.00 C ATOM 1438 OG1 THR B 203 4.661 -8.724 -9.331 1.00 0.00 O ATOM 1439 CG2 THR B 203 4.130 -10.601 -7.904 1.00 0.00 C ATOM 0 H THR B 203 4.481 -6.968 -8.473 1.00 0.00 H new ATOM 0 HA THR B 203 3.901 -8.732 -6.294 1.00 0.00 H new ATOM 0 HB THR B 203 6.022 -9.624 -8.041 1.00 0.00 H new ATOM 0 HG1 THR B 203 5.469 -8.687 -9.884 1.00 0.00 H new ATOM 0 HG21 THR B 203 4.339 -11.288 -8.724 1.00 0.00 H new ATOM 0 HG22 THR B 203 4.377 -11.080 -6.957 1.00 0.00 H new ATOM 0 HG23 THR B 203 3.073 -10.337 -7.912 1.00 0.00 H new ATOM 1447 N LEU B 204 6.586 -9.293 -5.694 1.00 0.00 N ATOM 1448 CA LEU B 204 7.800 -9.252 -4.881 1.00 0.00 C ATOM 1449 C LEU B 204 8.822 -8.301 -5.490 1.00 0.00 C ATOM 1450 O LEU B 204 9.615 -7.698 -4.773 1.00 0.00 O ATOM 1451 CB LEU B 204 8.419 -10.651 -4.721 1.00 0.00 C ATOM 1452 CG LEU B 204 9.174 -11.206 -5.938 1.00 0.00 C ATOM 1453 CD1 LEU B 204 9.936 -12.463 -5.555 1.00 0.00 C ATOM 1454 CD2 LEU B 204 8.225 -11.506 -7.087 1.00 0.00 C ATOM 0 H LEU B 204 6.277 -10.233 -5.942 1.00 0.00 H new ATOM 0 HA LEU B 204 7.518 -8.889 -3.893 1.00 0.00 H new ATOM 0 HB2 LEU B 204 9.106 -10.626 -3.875 1.00 0.00 H new ATOM 0 HB3 LEU B 204 7.623 -11.350 -4.465 1.00 0.00 H new ATOM 0 HG LEU B 204 9.879 -10.444 -6.269 1.00 0.00 H new ATOM 0 HD11 LEU B 204 10.467 -12.846 -6.426 1.00 0.00 H new ATOM 0 HD12 LEU B 204 10.653 -12.228 -4.768 1.00 0.00 H new ATOM 0 HD13 LEU B 204 9.236 -13.217 -5.196 1.00 0.00 H new ATOM 0 HD21 LEU B 204 8.790 -11.897 -7.933 1.00 0.00 H new ATOM 0 HD22 LEU B 204 7.490 -12.245 -6.768 1.00 0.00 H new ATOM 0 HD23 LEU B 204 7.713 -10.591 -7.385 1.00 0.00 H new ATOM 1466 N GLU B 205 8.766 -8.167 -6.813 1.00 0.00 N ATOM 1467 CA GLU B 205 9.642 -7.273 -7.555 1.00 0.00 C ATOM 1468 C GLU B 205 9.697 -5.899 -6.894 1.00 0.00 C ATOM 1469 O GLU B 205 10.668 -5.559 -6.218 1.00 0.00 O ATOM 1470 CB GLU B 205 9.122 -7.117 -8.987 1.00 0.00 C ATOM 1471 CG GLU B 205 8.803 -8.432 -9.678 1.00 0.00 C ATOM 1472 CD GLU B 205 7.975 -8.233 -10.931 1.00 0.00 C ATOM 1473 OE1 GLU B 205 8.548 -8.242 -12.040 1.00 0.00 O ATOM 1474 OE2 GLU B 205 6.746 -8.058 -10.810 1.00 0.00 O ATOM 0 H GLU B 205 8.108 -8.679 -7.400 1.00 0.00 H new ATOM 0 HA GLU B 205 10.644 -7.702 -7.564 1.00 0.00 H new ATOM 0 HB2 GLU B 205 8.223 -6.500 -8.971 1.00 0.00 H new ATOM 0 HB3 GLU B 205 9.866 -6.581 -9.576 1.00 0.00 H new ATOM 0 HG2 GLU B 205 9.732 -8.940 -9.935 1.00 0.00 H new ATOM 0 HG3 GLU B 205 8.265 -9.082 -8.988 1.00 0.00 H new ATOM 1481 N ARG B 206 8.626 -5.139 -7.041 1.00 0.00 N ATOM 1482 CA ARG B 206 8.602 -3.774 -6.548 1.00 0.00 C ATOM 1483 C ARG B 206 8.479 -3.752 -5.030 1.00 0.00 C ATOM 1484 O ARG B 206 9.296 -3.139 -4.346 1.00 0.00 O ATOM 1485 CB ARG B 206 7.450 -2.993 -7.187 1.00 0.00 C ATOM 1486 CG ARG B 206 7.435 -1.514 -6.823 1.00 0.00 C ATOM 1487 CD ARG B 206 8.718 -0.827 -7.264 1.00 0.00 C ATOM 1488 NE ARG B 206 8.715 0.607 -6.975 1.00 0.00 N ATOM 1489 CZ ARG B 206 9.779 1.395 -7.129 1.00 0.00 C ATOM 1490 NH1 ARG B 206 10.935 0.887 -7.542 1.00 0.00 N ATOM 1491 NH2 ARG B 206 9.691 2.694 -6.870 1.00 0.00 N ATOM 0 H ARG B 206 7.765 -5.443 -7.496 1.00 0.00 H new ATOM 0 HA ARG B 206 9.542 -3.295 -6.824 1.00 0.00 H new ATOM 0 HB2 ARG B 206 7.514 -3.090 -8.271 1.00 0.00 H new ATOM 0 HB3 ARG B 206 6.505 -3.443 -6.882 1.00 0.00 H new ATOM 0 HG2 ARG B 206 6.579 -1.029 -7.294 1.00 0.00 H new ATOM 0 HG3 ARG B 206 7.311 -1.403 -5.746 1.00 0.00 H new ATOM 0 HD2 ARG B 206 9.566 -1.293 -6.763 1.00 0.00 H new ATOM 0 HD3 ARG B 206 8.858 -0.978 -8.334 1.00 0.00 H new ATOM 0 HE ARG B 206 7.850 1.028 -6.636 1.00 0.00 H new ATOM 0 HH11 ARG B 206 11.011 -0.110 -7.743 1.00 0.00 H new ATOM 0 HH12 ARG B 206 11.746 1.494 -7.658 1.00 0.00 H new ATOM 0 HH21 ARG B 206 8.807 3.092 -6.552 1.00 0.00 H new ATOM 0 HH22 ARG B 206 10.507 3.294 -6.989 1.00 0.00 H new ATOM 1505 N LEU B 207 7.475 -4.443 -4.506 1.00 0.00 N ATOM 1506 CA LEU B 207 7.196 -4.391 -3.081 1.00 0.00 C ATOM 1507 C LEU B 207 8.340 -4.976 -2.270 1.00 0.00 C ATOM 1508 O LEU B 207 8.989 -4.259 -1.523 1.00 0.00 O ATOM 1509 CB LEU B 207 5.890 -5.112 -2.743 1.00 0.00 C ATOM 1510 CG LEU B 207 5.521 -5.136 -1.253 1.00 0.00 C ATOM 1511 CD1 LEU B 207 5.519 -3.736 -0.661 1.00 0.00 C ATOM 1512 CD2 LEU B 207 4.163 -5.769 -1.077 1.00 0.00 C ATOM 0 H LEU B 207 6.846 -5.041 -5.043 1.00 0.00 H new ATOM 0 HA LEU B 207 7.089 -3.340 -2.815 1.00 0.00 H new ATOM 0 HB2 LEU B 207 5.078 -4.636 -3.294 1.00 0.00 H new ATOM 0 HB3 LEU B 207 5.958 -6.140 -3.100 1.00 0.00 H new ATOM 0 HG LEU B 207 6.272 -5.724 -0.725 1.00 0.00 H new ATOM 0 HD11 LEU B 207 5.254 -3.788 0.395 1.00 0.00 H new ATOM 0 HD12 LEU B 207 6.511 -3.296 -0.765 1.00 0.00 H new ATOM 0 HD13 LEU B 207 4.791 -3.119 -1.188 1.00 0.00 H new ATOM 0 HD21 LEU B 207 3.903 -5.785 -0.018 1.00 0.00 H new ATOM 0 HD22 LEU B 207 3.418 -5.191 -1.625 1.00 0.00 H new ATOM 0 HD23 LEU B 207 4.185 -6.789 -1.461 1.00 0.00 H new ATOM 1524 N LYS B 208 8.614 -6.259 -2.447 1.00 0.00 N ATOM 1525 CA LYS B 208 9.564 -6.947 -1.581 1.00 0.00 C ATOM 1526 C LYS B 208 10.985 -6.419 -1.763 1.00 0.00 C ATOM 1527 O LYS B 208 11.727 -6.296 -0.787 1.00 0.00 O ATOM 1528 CB LYS B 208 9.533 -8.458 -1.817 1.00 0.00 C ATOM 1529 CG LYS B 208 10.434 -9.235 -0.867 1.00 0.00 C ATOM 1530 CD LYS B 208 10.451 -10.724 -1.178 1.00 0.00 C ATOM 1531 CE LYS B 208 9.072 -11.350 -1.032 1.00 0.00 C ATOM 1532 NZ LYS B 208 9.125 -12.828 -1.169 1.00 0.00 N ATOM 0 H LYS B 208 8.198 -6.842 -3.174 1.00 0.00 H new ATOM 0 HA LYS B 208 9.258 -6.746 -0.554 1.00 0.00 H new ATOM 0 HB2 LYS B 208 8.509 -8.815 -1.708 1.00 0.00 H new ATOM 0 HB3 LYS B 208 9.835 -8.665 -2.844 1.00 0.00 H new ATOM 0 HG2 LYS B 208 11.449 -8.841 -0.928 1.00 0.00 H new ATOM 0 HG3 LYS B 208 10.095 -9.084 0.158 1.00 0.00 H new ATOM 0 HD2 LYS B 208 10.814 -10.878 -2.194 1.00 0.00 H new ATOM 0 HD3 LYS B 208 11.150 -11.226 -0.510 1.00 0.00 H new ATOM 0 HE2 LYS B 208 8.654 -11.089 -0.060 1.00 0.00 H new ATOM 0 HE3 LYS B 208 8.403 -10.938 -1.787 1.00 0.00 H new ATOM 0 HZ1 LYS B 208 8.163 -13.218 -1.098 1.00 0.00 H new ATOM 0 HZ2 LYS B 208 9.532 -13.077 -2.093 1.00 0.00 H new ATOM 0 HZ3 LYS B 208 9.717 -13.226 -0.412 1.00 0.00 H new ATOM 1546 N ARG B 209 11.369 -6.086 -2.995 1.00 0.00 N ATOM 1547 CA ARG B 209 12.744 -5.667 -3.251 1.00 0.00 C ATOM 1548 C ARG B 209 12.986 -4.228 -2.794 1.00 0.00 C ATOM 1549 O ARG B 209 14.130 -3.796 -2.671 1.00 0.00 O ATOM 1550 CB ARG B 209 13.097 -5.837 -4.729 1.00 0.00 C ATOM 1551 CG ARG B 209 13.501 -7.257 -5.127 1.00 0.00 C ATOM 1552 CD ARG B 209 12.562 -8.323 -4.567 1.00 0.00 C ATOM 1553 NE ARG B 209 12.879 -9.650 -5.090 1.00 0.00 N ATOM 1554 CZ ARG B 209 13.334 -10.665 -4.355 1.00 0.00 C ATOM 1555 NH1 ARG B 209 13.578 -10.507 -3.060 1.00 0.00 N ATOM 1556 NH2 ARG B 209 13.565 -11.841 -4.922 1.00 0.00 N ATOM 0 H ARG B 209 10.762 -6.098 -3.814 1.00 0.00 H new ATOM 0 HA ARG B 209 13.400 -6.312 -2.666 1.00 0.00 H new ATOM 0 HB2 ARG B 209 12.240 -5.535 -5.331 1.00 0.00 H new ATOM 0 HB3 ARG B 209 13.914 -5.158 -4.974 1.00 0.00 H new ATOM 0 HG2 ARG B 209 13.520 -7.332 -6.214 1.00 0.00 H new ATOM 0 HG3 ARG B 209 14.514 -7.452 -4.776 1.00 0.00 H new ATOM 0 HD2 ARG B 209 12.631 -8.334 -3.479 1.00 0.00 H new ATOM 0 HD3 ARG B 209 11.532 -8.069 -4.818 1.00 0.00 H new ATOM 0 HE ARG B 209 12.743 -9.811 -6.088 1.00 0.00 H new ATOM 0 HH11 ARG B 209 13.418 -9.602 -2.617 1.00 0.00 H new ATOM 0 HH12 ARG B 209 13.926 -11.290 -2.507 1.00 0.00 H new ATOM 0 HH21 ARG B 209 13.395 -11.968 -5.920 1.00 0.00 H new ATOM 0 HH22 ARG B 209 13.913 -12.618 -4.361 1.00 0.00 H new ATOM 1570 N LYS B 210 11.913 -3.477 -2.562 1.00 0.00 N ATOM 1571 CA LYS B 210 12.043 -2.164 -1.937 1.00 0.00 C ATOM 1572 C LYS B 210 11.772 -2.254 -0.433 1.00 0.00 C ATOM 1573 O LYS B 210 12.388 -1.546 0.362 1.00 0.00 O ATOM 1574 CB LYS B 210 11.102 -1.147 -2.589 1.00 0.00 C ATOM 1575 CG LYS B 210 11.359 -0.934 -4.079 1.00 0.00 C ATOM 1576 CD LYS B 210 12.770 -0.431 -4.359 1.00 0.00 C ATOM 1577 CE LYS B 210 13.013 0.940 -3.750 1.00 0.00 C ATOM 1578 NZ LYS B 210 14.350 1.483 -4.111 1.00 0.00 N ATOM 0 H LYS B 210 10.958 -3.749 -2.793 1.00 0.00 H new ATOM 0 HA LYS B 210 13.067 -1.822 -2.087 1.00 0.00 H new ATOM 0 HB2 LYS B 210 10.073 -1.479 -2.451 1.00 0.00 H new ATOM 0 HB3 LYS B 210 11.201 -0.192 -2.073 1.00 0.00 H new ATOM 0 HG2 LYS B 210 11.198 -1.872 -4.610 1.00 0.00 H new ATOM 0 HG3 LYS B 210 10.637 -0.218 -4.471 1.00 0.00 H new ATOM 0 HD2 LYS B 210 13.495 -1.140 -3.958 1.00 0.00 H new ATOM 0 HD3 LYS B 210 12.932 -0.384 -5.436 1.00 0.00 H new ATOM 0 HE2 LYS B 210 12.239 1.629 -4.088 1.00 0.00 H new ATOM 0 HE3 LYS B 210 12.930 0.874 -2.665 1.00 0.00 H new ATOM 0 HZ1 LYS B 210 14.474 2.419 -3.675 1.00 0.00 H new ATOM 0 HZ2 LYS B 210 15.091 0.840 -3.766 1.00 0.00 H new ATOM 0 HZ3 LYS B 210 14.421 1.571 -5.145 1.00 0.00 H new ATOM 1592 N TYR B 211 10.846 -3.131 -0.059 1.00 0.00 N ATOM 1593 CA TYR B 211 10.483 -3.345 1.341 1.00 0.00 C ATOM 1594 C TYR B 211 11.665 -3.934 2.109 1.00 0.00 C ATOM 1595 O TYR B 211 12.238 -3.286 2.989 1.00 0.00 O ATOM 1596 CB TYR B 211 9.274 -4.294 1.422 1.00 0.00 C ATOM 1597 CG TYR B 211 8.624 -4.405 2.783 1.00 0.00 C ATOM 1598 CD1 TYR B 211 7.292 -4.059 2.946 1.00 0.00 C ATOM 1599 CD2 TYR B 211 9.326 -4.860 3.894 1.00 0.00 C ATOM 1600 CE1 TYR B 211 6.675 -4.164 4.180 1.00 0.00 C ATOM 1601 CE2 TYR B 211 8.717 -4.965 5.129 1.00 0.00 C ATOM 1602 CZ TYR B 211 7.391 -4.614 5.266 1.00 0.00 C ATOM 1603 OH TYR B 211 6.779 -4.714 6.495 1.00 0.00 O ATOM 0 H TYR B 211 10.326 -3.713 -0.715 1.00 0.00 H new ATOM 0 HA TYR B 211 10.219 -2.388 1.791 1.00 0.00 H new ATOM 0 HB2 TYR B 211 8.523 -3.960 0.706 1.00 0.00 H new ATOM 0 HB3 TYR B 211 9.593 -5.288 1.109 1.00 0.00 H new ATOM 0 HD1 TYR B 211 6.727 -3.702 2.097 1.00 0.00 H new ATOM 0 HD2 TYR B 211 10.365 -5.136 3.789 1.00 0.00 H new ATOM 0 HE1 TYR B 211 5.635 -3.894 4.291 1.00 0.00 H new ATOM 0 HE2 TYR B 211 9.276 -5.320 5.982 1.00 0.00 H new ATOM 0 HH TYR B 211 6.615 -5.658 6.703 1.00 0.00 H new