USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 555 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 73 TYR OH : rot -178:sc= 2.09 USER MOD Set 1.2: A 77 LYS NZ :NH3+ -118:sc= 0.825 (180deg=0.98) USER MOD Set 2.1: A 58 TYR OH : rot -113:sc= 0.283 USER MOD Set 2.2: A 60 ASN : amide:sc= -0.475 X(o=-0.19,f=0.1) USER MOD Set 3.1: A 27 LYS NZ :NH3+ 159:sc= 1.18 (180deg=0) USER MOD Set 3.2: A 54 ASN : amide:sc= 0.652 K(o=1.8,f=-8.3!) USER MOD Set 4.1: A 45 SER OG : rot 180:sc= -0.482 USER MOD Set 4.2: A 48 MET CE :methyl 171:sc= 0 (180deg=-0.102) USER MOD Set 5.1: A 10 HIS : no HE2:sc= -2.33! C(o=-2.4!,f=-6.4!) USER MOD Set 5.2: A 16 GLN : amide:sc= -0.0809 K(o=-2.4,f=-3.3) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 6:sc= 0.223 USER MOD Single : A 19 HIS : no HE2:sc= -0.61 K(o=-0.61,f=-3.2!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -170:sc= -1.35 USER MOD Single : A 24 ASN : amide:sc= 0.444 K(o=0.44,f=-7.2!) USER MOD Single : A 31 LYS NZ :NH3+ -169:sc= 1.16 (180deg=1.06) USER MOD Single : A 33 MET CE :methyl -163:sc= -0.0931 (180deg=-0.498) USER MOD Single : A 34 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 35 GLN :FLIP amide:sc= -1.45 F(o=-2.7!,f=-1.5) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot -41:sc= -2.35! USER MOD Single : A 46 GLN :FLIP amide:sc= -0.221 F(o=-0.99,f=-0.22) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 160:sc= -0.965 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 26:sc= 0.0432 USER MOD Single : A 65 LYS NZ :NH3+ -148:sc= -3.85! (180deg=-7.94!) USER MOD Single : A 66 CYS SG : rot -20:sc= 0.0575 USER MOD Single : A 67 GLN : amide:sc= -0.0174 K(o=-0.017,f=-1) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 146 N HIS A 10 14.474 0.935 -3.207 1.00 12.53 N ATOM 147 CA HIS A 10 13.629 1.835 -4.014 1.00 44.54 C ATOM 148 C HIS A 10 12.202 1.288 -4.253 1.00 33.35 C ATOM 149 O HIS A 10 11.776 1.102 -5.394 1.00 60.42 O ATOM 150 CB HIS A 10 14.318 2.139 -5.355 1.00 21.04 C ATOM 151 CG HIS A 10 14.752 0.918 -6.111 1.00 34.25 C ATOM 152 ND1 HIS A 10 13.869 0.075 -6.752 1.00 11.44 N ATOM 153 CD2 HIS A 10 15.983 0.401 -6.333 1.00 14.25 C ATOM 154 CE1 HIS A 10 14.535 -0.900 -7.336 1.00 53.15 C ATOM 155 NE2 HIS A 10 15.816 -0.725 -7.096 1.00 42.12 N ATOM 0 HA HIS A 10 13.511 2.754 -3.439 1.00 44.54 H new ATOM 0 HB2 HIS A 10 13.636 2.716 -5.979 1.00 21.04 H new ATOM 0 HB3 HIS A 10 15.189 2.767 -5.169 1.00 21.04 H new ATOM 0 HD1 HIS A 10 12.856 0.189 -6.771 1.00 11.44 H new ATOM 0 HD2 HIS A 10 16.921 0.801 -5.976 1.00 14.25 H new ATOM 0 HE1 HIS A 10 14.103 -1.705 -7.913 1.00 53.15 H new ATOM 164 N MET A 11 11.475 1.026 -3.167 1.00 1.05 N ATOM 165 CA MET A 11 10.055 0.645 -3.245 1.00 53.34 C ATOM 166 C MET A 11 9.138 1.791 -2.769 1.00 62.34 C ATOM 167 O MET A 11 7.914 1.715 -2.891 1.00 72.10 O ATOM 168 CB MET A 11 9.795 -0.622 -2.419 1.00 22.32 C ATOM 169 CG MET A 11 10.338 -1.895 -3.059 1.00 72.33 C ATOM 170 SD MET A 11 12.096 -1.792 -3.456 1.00 54.41 S ATOM 171 CE MET A 11 12.387 -3.421 -4.146 1.00 64.51 C ATOM 0 H MET A 11 11.843 1.069 -2.217 1.00 1.05 H new ATOM 0 HA MET A 11 9.822 0.441 -4.290 1.00 53.34 H new ATOM 0 HB2 MET A 11 10.245 -0.501 -1.434 1.00 22.32 H new ATOM 0 HB3 MET A 11 8.721 -0.732 -2.267 1.00 22.32 H new ATOM 0 HG2 MET A 11 10.173 -2.734 -2.383 1.00 72.33 H new ATOM 0 HG3 MET A 11 9.777 -2.105 -3.970 1.00 72.33 H new ATOM 0 HE1 MET A 11 13.433 -3.510 -4.439 1.00 64.51 H new ATOM 0 HE2 MET A 11 12.154 -4.180 -3.399 1.00 64.51 H new ATOM 0 HE3 MET A 11 11.752 -3.565 -5.020 1.00 64.51 H new ATOM 181 N LEU A 12 9.741 2.843 -2.209 1.00 4.32 N ATOM 182 CA LEU A 12 8.994 4.032 -1.766 1.00 44.01 C ATOM 183 C LEU A 12 8.682 4.990 -2.941 1.00 73.15 C ATOM 184 O LEU A 12 7.572 5.520 -3.030 1.00 13.42 O ATOM 185 CB LEU A 12 9.753 4.784 -0.654 1.00 43.03 C ATOM 186 CG LEU A 12 9.816 4.080 0.720 1.00 3.24 C ATOM 187 CD1 LEU A 12 10.588 2.764 0.643 1.00 22.11 C ATOM 188 CD2 LEU A 12 10.430 5.002 1.775 1.00 14.21 C ATOM 0 H LEU A 12 10.747 2.899 -2.050 1.00 4.32 H new ATOM 0 HA LEU A 12 8.046 3.677 -1.363 1.00 44.01 H new ATOM 0 HB2 LEU A 12 10.773 4.963 -0.995 1.00 43.03 H new ATOM 0 HB3 LEU A 12 9.286 5.760 -0.519 1.00 43.03 H new ATOM 0 HG LEU A 12 8.793 3.847 1.015 1.00 3.24 H new ATOM 0 HD11 LEU A 12 10.611 2.298 1.628 1.00 22.11 H new ATOM 0 HD12 LEU A 12 10.097 2.095 -0.064 1.00 22.11 H new ATOM 0 HD13 LEU A 12 11.607 2.959 0.310 1.00 22.11 H new ATOM 0 HD21 LEU A 12 10.464 4.485 2.734 1.00 14.21 H new ATOM 0 HD22 LEU A 12 11.441 5.276 1.474 1.00 14.21 H new ATOM 0 HD23 LEU A 12 9.823 5.902 1.869 1.00 14.21 H new ATOM 200 N PRO A 13 9.658 5.266 -3.844 1.00 55.35 N ATOM 201 CA PRO A 13 9.383 6.016 -5.083 1.00 41.30 C ATOM 202 C PRO A 13 8.650 5.147 -6.129 1.00 45.15 C ATOM 203 O PRO A 13 8.657 3.918 -6.034 1.00 41.43 O ATOM 204 CB PRO A 13 10.787 6.399 -5.573 1.00 3.44 C ATOM 205 CG PRO A 13 11.667 5.312 -5.066 1.00 34.53 C ATOM 206 CD PRO A 13 11.090 4.902 -3.735 1.00 4.05 C ATOM 0 HA PRO A 13 8.730 6.873 -4.921 1.00 41.30 H new ATOM 0 HB2 PRO A 13 10.824 6.465 -6.660 1.00 3.44 H new ATOM 0 HB3 PRO A 13 11.092 7.371 -5.184 1.00 3.44 H new ATOM 0 HG2 PRO A 13 11.688 4.471 -5.759 1.00 34.53 H new ATOM 0 HG3 PRO A 13 12.694 5.660 -4.956 1.00 34.53 H new ATOM 0 HD2 PRO A 13 11.219 3.835 -3.555 1.00 4.05 H new ATOM 0 HD3 PRO A 13 11.574 5.425 -2.911 1.00 4.05 H new ATOM 214 N PRO A 14 8.007 5.763 -7.146 1.00 32.02 N ATOM 215 CA PRO A 14 7.281 5.014 -8.189 1.00 34.01 C ATOM 216 C PRO A 14 8.227 4.227 -9.121 1.00 5.01 C ATOM 217 O PRO A 14 8.402 4.568 -10.295 1.00 43.22 O ATOM 218 CB PRO A 14 6.529 6.114 -8.955 1.00 14.00 C ATOM 219 CG PRO A 14 7.348 7.343 -8.746 1.00 34.31 C ATOM 220 CD PRO A 14 7.936 7.222 -7.362 1.00 33.51 C ATOM 0 HA PRO A 14 6.624 4.253 -7.768 1.00 34.01 H new ATOM 0 HB2 PRO A 14 6.441 5.871 -10.014 1.00 14.00 H new ATOM 0 HB3 PRO A 14 5.516 6.242 -8.573 1.00 14.00 H new ATOM 0 HG2 PRO A 14 8.133 7.421 -9.498 1.00 34.31 H new ATOM 0 HG3 PRO A 14 6.734 8.240 -8.832 1.00 34.31 H new ATOM 0 HD2 PRO A 14 8.921 7.685 -7.302 1.00 33.51 H new ATOM 0 HD3 PRO A 14 7.309 7.709 -6.615 1.00 33.51 H new ATOM 228 N GLU A 15 8.832 3.173 -8.578 1.00 33.43 N ATOM 229 CA GLU A 15 9.803 2.355 -9.313 1.00 32.41 C ATOM 230 C GLU A 15 9.201 0.994 -9.712 1.00 21.35 C ATOM 231 O GLU A 15 8.906 0.757 -10.883 1.00 43.00 O ATOM 232 CB GLU A 15 11.058 2.154 -8.446 1.00 62.52 C ATOM 233 CG GLU A 15 12.161 1.330 -9.106 1.00 44.22 C ATOM 234 CD GLU A 15 12.721 1.963 -10.371 1.00 21.44 C ATOM 235 OE1 GLU A 15 13.042 3.173 -10.349 1.00 52.21 O ATOM 236 OE2 GLU A 15 12.860 1.249 -11.386 1.00 42.34 O ATOM 0 H GLU A 15 8.667 2.860 -7.621 1.00 33.43 H new ATOM 0 HA GLU A 15 10.073 2.876 -10.232 1.00 32.41 H new ATOM 0 HB2 GLU A 15 11.461 3.132 -8.182 1.00 62.52 H new ATOM 0 HB3 GLU A 15 10.766 1.667 -7.515 1.00 62.52 H new ATOM 0 HG2 GLU A 15 12.972 1.186 -8.392 1.00 44.22 H new ATOM 0 HG3 GLU A 15 11.770 0.342 -9.347 1.00 44.22 H new ATOM 243 N GLN A 16 9.011 0.108 -8.734 1.00 72.40 N ATOM 244 CA GLN A 16 8.456 -1.228 -8.996 1.00 13.01 C ATOM 245 C GLN A 16 7.743 -1.794 -7.756 1.00 2.54 C ATOM 246 O GLN A 16 8.209 -1.629 -6.630 1.00 64.30 O ATOM 247 CB GLN A 16 9.568 -2.191 -9.454 1.00 1.13 C ATOM 248 CG GLN A 16 10.664 -2.429 -8.416 1.00 11.35 C ATOM 249 CD GLN A 16 11.810 -3.277 -8.951 1.00 41.14 C ATOM 250 OE1 GLN A 16 12.785 -2.758 -9.483 1.00 52.13 O ATOM 251 NE2 GLN A 16 11.703 -4.586 -8.821 1.00 12.32 N ATOM 0 H GLN A 16 9.231 0.287 -7.754 1.00 72.40 H new ATOM 0 HA GLN A 16 7.719 -1.130 -9.793 1.00 13.01 H new ATOM 0 HB2 GLN A 16 9.118 -3.149 -9.715 1.00 1.13 H new ATOM 0 HB3 GLN A 16 10.024 -1.795 -10.362 1.00 1.13 H new ATOM 0 HG2 GLN A 16 11.055 -1.468 -8.080 1.00 11.35 H new ATOM 0 HG3 GLN A 16 10.232 -2.919 -7.544 1.00 11.35 H new ATOM 0 HE21 GLN A 16 10.879 -4.988 -8.374 1.00 12.32 H new ATOM 0 HE22 GLN A 16 12.444 -5.195 -9.168 1.00 12.32 H new ATOM 260 N TRP A 17 6.612 -2.461 -7.974 1.00 63.22 N ATOM 261 CA TRP A 17 5.834 -3.059 -6.881 1.00 12.01 C ATOM 262 C TRP A 17 5.729 -4.586 -7.017 1.00 43.43 C ATOM 263 O TRP A 17 6.183 -5.178 -8.000 1.00 13.54 O ATOM 264 CB TRP A 17 4.428 -2.436 -6.822 1.00 14.15 C ATOM 265 CG TRP A 17 4.368 -1.171 -6.021 1.00 12.43 C ATOM 266 CD1 TRP A 17 4.886 0.048 -6.357 1.00 62.34 C ATOM 267 CD2 TRP A 17 3.754 -1.007 -4.736 1.00 20.13 C ATOM 268 NE1 TRP A 17 4.633 0.957 -5.360 1.00 64.30 N ATOM 269 CE2 TRP A 17 3.938 0.334 -4.355 1.00 12.31 C ATOM 270 CE3 TRP A 17 3.062 -1.866 -3.874 1.00 5.43 C ATOM 271 CZ2 TRP A 17 3.464 0.834 -3.147 1.00 74.52 C ATOM 272 CZ3 TRP A 17 2.591 -1.368 -2.674 1.00 53.44 C ATOM 273 CH2 TRP A 17 2.792 -0.026 -2.323 1.00 42.02 C ATOM 0 H TRP A 17 6.209 -2.604 -8.900 1.00 63.22 H new ATOM 0 HA TRP A 17 6.363 -2.846 -5.952 1.00 12.01 H new ATOM 0 HB2 TRP A 17 4.087 -2.231 -7.837 1.00 14.15 H new ATOM 0 HB3 TRP A 17 3.736 -3.161 -6.394 1.00 14.15 H new ATOM 0 HD1 TRP A 17 5.417 0.264 -7.272 1.00 62.34 H new ATOM 0 HE1 TRP A 17 4.916 1.937 -5.366 1.00 64.30 H new ATOM 0 HE3 TRP A 17 2.899 -2.899 -4.142 1.00 5.43 H new ATOM 0 HZ2 TRP A 17 3.621 1.866 -2.869 1.00 74.52 H new ATOM 0 HZ3 TRP A 17 2.061 -2.022 -1.997 1.00 53.44 H new ATOM 0 HH2 TRP A 17 2.408 0.337 -1.381 1.00 42.02 H new ATOM 284 N SER A 18 5.135 -5.214 -6.009 1.00 20.23 N ATOM 285 CA SER A 18 4.926 -6.667 -5.996 1.00 62.20 C ATOM 286 C SER A 18 3.658 -7.031 -5.217 1.00 51.14 C ATOM 287 O SER A 18 3.088 -6.198 -4.511 1.00 40.32 O ATOM 288 CB SER A 18 6.142 -7.389 -5.392 1.00 40.20 C ATOM 289 OG SER A 18 7.267 -7.330 -6.261 1.00 45.43 O ATOM 0 H SER A 18 4.784 -4.738 -5.178 1.00 20.23 H new ATOM 0 HA SER A 18 4.804 -6.994 -7.029 1.00 62.20 H new ATOM 0 HB2 SER A 18 6.397 -6.936 -4.434 1.00 40.20 H new ATOM 0 HB3 SER A 18 5.887 -8.430 -5.195 1.00 40.20 H new ATOM 0 HG SER A 18 7.058 -6.757 -7.028 1.00 45.43 H new ATOM 295 N HIS A 19 3.234 -8.286 -5.331 1.00 41.05 N ATOM 296 CA HIS A 19 1.966 -8.734 -4.740 1.00 15.53 C ATOM 297 C HIS A 19 2.000 -8.672 -3.201 1.00 12.41 C ATOM 298 O HIS A 19 1.112 -8.095 -2.571 1.00 24.22 O ATOM 299 CB HIS A 19 1.653 -10.163 -5.202 1.00 72.03 C ATOM 300 CG HIS A 19 1.671 -10.324 -6.693 1.00 22.13 C ATOM 301 ND1 HIS A 19 0.586 -10.047 -7.497 1.00 11.11 N ATOM 302 CD2 HIS A 19 2.656 -10.736 -7.532 1.00 13.42 C ATOM 303 CE1 HIS A 19 0.900 -10.280 -8.755 1.00 35.21 C ATOM 304 NE2 HIS A 19 2.146 -10.697 -8.804 1.00 65.55 N ATOM 0 H HIS A 19 3.747 -9.015 -5.827 1.00 41.05 H new ATOM 0 HA HIS A 19 1.181 -8.059 -5.080 1.00 15.53 H new ATOM 0 HB2 HIS A 19 2.379 -10.847 -4.761 1.00 72.03 H new ATOM 0 HB3 HIS A 19 0.672 -10.452 -4.824 1.00 72.03 H new ATOM 0 HD1 HIS A 19 -0.320 -9.713 -7.169 1.00 11.11 H new ATOM 0 HD2 HIS A 19 3.654 -11.038 -7.250 1.00 13.42 H new ATOM 0 HE1 HIS A 19 0.244 -10.150 -9.603 1.00 35.21 H new ATOM 313 N THR A 20 3.032 -9.265 -2.606 1.00 71.03 N ATOM 314 CA THR A 20 3.196 -9.267 -1.145 1.00 41.04 C ATOM 315 C THR A 20 3.499 -7.854 -0.614 1.00 52.22 C ATOM 316 O THR A 20 3.171 -7.524 0.528 1.00 14.51 O ATOM 317 CB THR A 20 4.321 -10.240 -0.705 1.00 63.51 C ATOM 318 OG1 THR A 20 4.033 -11.565 -1.180 1.00 63.40 O ATOM 319 CG2 THR A 20 4.472 -10.274 0.816 1.00 22.24 C ATOM 0 H THR A 20 3.772 -9.753 -3.110 1.00 71.03 H new ATOM 0 HA THR A 20 2.252 -9.607 -0.720 1.00 41.04 H new ATOM 0 HB THR A 20 5.256 -9.881 -1.135 1.00 63.51 H new ATOM 0 HG1 THR A 20 4.747 -12.175 -0.901 1.00 63.40 H new ATOM 0 HG21 THR A 20 5.269 -10.966 1.087 1.00 22.24 H new ATOM 0 HG22 THR A 20 4.718 -9.276 1.180 1.00 22.24 H new ATOM 0 HG23 THR A 20 3.536 -10.604 1.267 1.00 22.24 H new ATOM 327 N THR A 21 4.112 -7.023 -1.457 1.00 63.02 N ATOM 328 CA THR A 21 4.437 -5.636 -1.088 1.00 23.43 C ATOM 329 C THR A 21 3.180 -4.851 -0.688 1.00 1.41 C ATOM 330 O THR A 21 3.213 -4.042 0.241 1.00 41.02 O ATOM 331 CB THR A 21 5.150 -4.890 -2.243 1.00 45.23 C ATOM 332 OG1 THR A 21 6.285 -5.648 -2.687 1.00 34.54 O ATOM 333 CG2 THR A 21 5.609 -3.501 -1.810 1.00 73.50 C ATOM 0 H THR A 21 4.396 -7.282 -2.402 1.00 63.02 H new ATOM 0 HA THR A 21 5.110 -5.695 -0.233 1.00 23.43 H new ATOM 0 HB THR A 21 4.435 -4.778 -3.058 1.00 45.23 H new ATOM 0 HG1 THR A 21 6.820 -5.105 -3.303 1.00 34.54 H new ATOM 0 HG21 THR A 21 6.105 -3.005 -2.644 1.00 73.50 H new ATOM 0 HG22 THR A 21 4.745 -2.913 -1.500 1.00 73.50 H new ATOM 0 HG23 THR A 21 6.305 -3.591 -0.976 1.00 73.50 H new ATOM 341 N VAL A 22 2.073 -5.103 -1.388 1.00 5.44 N ATOM 342 CA VAL A 22 0.786 -4.474 -1.063 1.00 51.43 C ATOM 343 C VAL A 22 0.365 -4.794 0.383 1.00 23.34 C ATOM 344 O VAL A 22 -0.069 -3.912 1.127 1.00 35.31 O ATOM 345 CB VAL A 22 -0.333 -4.934 -2.037 1.00 20.33 C ATOM 346 CG1 VAL A 22 -1.658 -4.242 -1.716 1.00 13.34 C ATOM 347 CG2 VAL A 22 0.078 -4.679 -3.488 1.00 22.43 C ATOM 0 H VAL A 22 2.039 -5.739 -2.185 1.00 5.44 H new ATOM 0 HA VAL A 22 0.922 -3.398 -1.168 1.00 51.43 H new ATOM 0 HB VAL A 22 -0.477 -6.007 -1.906 1.00 20.33 H new ATOM 0 HG11 VAL A 22 -2.424 -4.582 -2.413 1.00 13.34 H new ATOM 0 HG12 VAL A 22 -1.959 -4.487 -0.698 1.00 13.34 H new ATOM 0 HG13 VAL A 22 -1.537 -3.163 -1.809 1.00 13.34 H new ATOM 0 HG21 VAL A 22 -0.719 -5.008 -4.155 1.00 22.43 H new ATOM 0 HG22 VAL A 22 0.257 -3.614 -3.634 1.00 22.43 H new ATOM 0 HG23 VAL A 22 0.990 -5.234 -3.711 1.00 22.43 H new ATOM 357 N ARG A 23 0.508 -6.061 0.777 1.00 11.32 N ATOM 358 CA ARG A 23 0.212 -6.488 2.152 1.00 11.30 C ATOM 359 C ARG A 23 1.083 -5.724 3.165 1.00 51.21 C ATOM 360 O ARG A 23 0.585 -5.186 4.155 1.00 52.52 O ATOM 361 CB ARG A 23 0.459 -7.995 2.310 1.00 23.31 C ATOM 362 CG ARG A 23 0.139 -8.527 3.709 1.00 42.12 C ATOM 363 CD ARG A 23 0.915 -9.798 4.023 1.00 12.34 C ATOM 364 NE ARG A 23 2.364 -9.568 3.980 1.00 41.12 N ATOM 365 CZ ARG A 23 3.219 -10.091 4.812 1.00 42.32 C ATOM 366 NH1 ARG A 23 2.818 -10.814 5.808 1.00 31.44 N ATOM 367 NH2 ARG A 23 4.481 -9.851 4.674 1.00 51.53 N ATOM 0 H ARG A 23 0.827 -6.812 0.165 1.00 11.32 H new ATOM 0 HA ARG A 23 -0.837 -6.268 2.349 1.00 11.30 H new ATOM 0 HB2 ARG A 23 -0.146 -8.532 1.579 1.00 23.31 H new ATOM 0 HB3 ARG A 23 1.502 -8.209 2.079 1.00 23.31 H new ATOM 0 HG2 ARG A 23 0.376 -7.764 4.451 1.00 42.12 H new ATOM 0 HG3 ARG A 23 -0.930 -8.726 3.786 1.00 42.12 H new ATOM 0 HD2 ARG A 23 0.633 -10.163 5.010 1.00 12.34 H new ATOM 0 HD3 ARG A 23 0.647 -10.575 3.307 1.00 12.34 H new ATOM 0 HE ARG A 23 2.726 -8.957 3.248 1.00 41.12 H new ATOM 0 HH11 ARG A 23 1.822 -10.980 5.949 1.00 31.44 H new ATOM 0 HH12 ARG A 23 3.498 -11.217 6.452 1.00 31.44 H new ATOM 0 HH21 ARG A 23 4.806 -9.253 3.915 1.00 51.53 H new ATOM 0 HH22 ARG A 23 5.152 -10.260 5.325 1.00 51.53 H new ATOM 381 N ASN A 24 2.393 -5.692 2.906 1.00 52.12 N ATOM 382 CA ASN A 24 3.337 -4.952 3.754 1.00 40.10 C ATOM 383 C ASN A 24 2.932 -3.472 3.871 1.00 31.11 C ATOM 384 O ASN A 24 3.043 -2.866 4.940 1.00 32.10 O ATOM 385 CB ASN A 24 4.761 -5.069 3.187 1.00 52.02 C ATOM 386 CG ASN A 24 5.303 -6.491 3.224 1.00 31.32 C ATOM 387 OD1 ASN A 24 4.557 -7.465 3.158 1.00 12.10 O ATOM 388 ND2 ASN A 24 6.611 -6.622 3.328 1.00 71.22 N ATOM 0 H ASN A 24 2.826 -6.170 2.116 1.00 52.12 H new ATOM 0 HA ASN A 24 3.313 -5.390 4.752 1.00 40.10 H new ATOM 0 HB2 ASN A 24 4.766 -4.711 2.157 1.00 52.02 H new ATOM 0 HB3 ASN A 24 5.426 -4.418 3.754 1.00 52.02 H new ATOM 0 HD21 ASN A 24 7.030 -7.552 3.356 1.00 71.22 H new ATOM 0 HD22 ASN A 24 7.204 -5.794 3.381 1.00 71.22 H new ATOM 395 N ALA A 25 2.451 -2.901 2.765 1.00 31.14 N ATOM 396 CA ALA A 25 1.950 -1.525 2.760 1.00 2.20 C ATOM 397 C ALA A 25 0.749 -1.366 3.705 1.00 14.42 C ATOM 398 O ALA A 25 0.631 -0.368 4.414 1.00 22.23 O ATOM 399 CB ALA A 25 1.576 -1.100 1.344 1.00 31.32 C ATOM 0 H ALA A 25 2.398 -3.370 1.861 1.00 31.14 H new ATOM 0 HA ALA A 25 2.748 -0.876 3.121 1.00 2.20 H new ATOM 0 HB1 ALA A 25 1.205 -0.075 1.358 1.00 31.32 H new ATOM 0 HB2 ALA A 25 2.455 -1.160 0.702 1.00 31.32 H new ATOM 0 HB3 ALA A 25 0.800 -1.761 0.959 1.00 31.32 H new ATOM 405 N LEU A 26 -0.128 -2.366 3.726 1.00 71.01 N ATOM 406 CA LEU A 26 -1.306 -2.346 4.601 1.00 54.50 C ATOM 407 C LEU A 26 -0.918 -2.448 6.090 1.00 0.14 C ATOM 408 O LEU A 26 -1.723 -2.155 6.970 1.00 21.32 O ATOM 409 CB LEU A 26 -2.257 -3.493 4.234 1.00 64.04 C ATOM 410 CG LEU A 26 -2.788 -3.477 2.790 1.00 61.20 C ATOM 411 CD1 LEU A 26 -3.706 -4.671 2.537 1.00 2.30 C ATOM 412 CD2 LEU A 26 -3.512 -2.165 2.497 1.00 32.01 C ATOM 0 H LEU A 26 -0.049 -3.203 3.148 1.00 71.01 H new ATOM 0 HA LEU A 26 -1.808 -1.390 4.451 1.00 54.50 H new ATOM 0 HB2 LEU A 26 -1.740 -4.438 4.402 1.00 64.04 H new ATOM 0 HB3 LEU A 26 -3.107 -3.469 4.916 1.00 64.04 H new ATOM 0 HG LEU A 26 -1.937 -3.555 2.113 1.00 61.20 H new ATOM 0 HD11 LEU A 26 -4.070 -4.639 1.510 1.00 2.30 H new ATOM 0 HD12 LEU A 26 -3.152 -5.596 2.697 1.00 2.30 H new ATOM 0 HD13 LEU A 26 -4.552 -4.631 3.223 1.00 2.30 H new ATOM 0 HD21 LEU A 26 -3.880 -2.174 1.471 1.00 32.01 H new ATOM 0 HD22 LEU A 26 -4.352 -2.052 3.183 1.00 32.01 H new ATOM 0 HD23 LEU A 26 -2.822 -1.332 2.628 1.00 32.01 H new ATOM 424 N LYS A 27 0.310 -2.877 6.368 1.00 42.34 N ATOM 425 CA LYS A 27 0.794 -2.972 7.752 1.00 33.44 C ATOM 426 C LYS A 27 1.642 -1.754 8.170 1.00 63.13 C ATOM 427 O LYS A 27 1.904 -1.560 9.359 1.00 5.42 O ATOM 428 CB LYS A 27 1.587 -4.274 7.955 1.00 3.11 C ATOM 429 CG LYS A 27 0.708 -5.525 7.998 1.00 22.11 C ATOM 430 CD LYS A 27 -0.291 -5.475 9.156 1.00 13.54 C ATOM 431 CE LYS A 27 -1.124 -6.749 9.253 1.00 64.34 C ATOM 432 NZ LYS A 27 -2.101 -6.692 10.373 1.00 51.21 N ATOM 0 H LYS A 27 0.988 -3.164 5.662 1.00 42.34 H new ATOM 0 HA LYS A 27 -0.086 -2.982 8.396 1.00 33.44 H new ATOM 0 HB2 LYS A 27 2.313 -4.377 7.148 1.00 3.11 H new ATOM 0 HB3 LYS A 27 2.152 -4.205 8.885 1.00 3.11 H new ATOM 0 HG2 LYS A 27 0.169 -5.623 7.056 1.00 22.11 H new ATOM 0 HG3 LYS A 27 1.338 -6.409 8.098 1.00 22.11 H new ATOM 0 HD2 LYS A 27 0.247 -5.323 10.092 1.00 13.54 H new ATOM 0 HD3 LYS A 27 -0.953 -4.619 9.026 1.00 13.54 H new ATOM 0 HE2 LYS A 27 -1.657 -6.906 8.315 1.00 64.34 H new ATOM 0 HE3 LYS A 27 -0.463 -7.605 9.392 1.00 64.34 H new ATOM 0 HZ1 LYS A 27 -2.864 -7.377 10.203 1.00 51.21 H new ATOM 0 HZ2 LYS A 27 -1.620 -6.924 11.265 1.00 51.21 H new ATOM 0 HZ3 LYS A 27 -2.503 -5.735 10.435 1.00 51.21 H new ATOM 446 N ASP A 28 2.082 -0.941 7.206 1.00 31.34 N ATOM 447 CA ASP A 28 2.861 0.271 7.522 1.00 45.43 C ATOM 448 C ASP A 28 2.059 1.561 7.256 1.00 34.52 C ATOM 449 O ASP A 28 2.074 2.485 8.067 1.00 31.43 O ATOM 450 CB ASP A 28 4.174 0.288 6.735 1.00 70.21 C ATOM 451 CG ASP A 28 5.070 1.444 7.149 1.00 2.23 C ATOM 452 OD1 ASP A 28 5.489 1.484 8.328 1.00 41.44 O ATOM 453 OD2 ASP A 28 5.347 2.326 6.309 1.00 11.42 O ATOM 0 H ASP A 28 1.918 -1.092 6.211 1.00 31.34 H new ATOM 0 HA ASP A 28 3.086 0.240 8.588 1.00 45.43 H new ATOM 0 HB2 ASP A 28 4.702 -0.653 6.889 1.00 70.21 H new ATOM 0 HB3 ASP A 28 3.957 0.361 5.669 1.00 70.21 H new ATOM 458 N LEU A 29 1.375 1.630 6.116 1.00 63.30 N ATOM 459 CA LEU A 29 0.525 2.790 5.796 1.00 41.01 C ATOM 460 C LEU A 29 -0.783 2.752 6.606 1.00 21.43 C ATOM 461 O LEU A 29 -1.162 3.733 7.241 1.00 2.01 O ATOM 462 CB LEU A 29 0.214 2.849 4.286 1.00 53.13 C ATOM 463 CG LEU A 29 1.393 3.233 3.368 1.00 70.54 C ATOM 464 CD1 LEU A 29 1.982 4.584 3.773 1.00 70.31 C ATOM 465 CD2 LEU A 29 2.472 2.150 3.364 1.00 63.12 C ATOM 0 H LEU A 29 1.388 0.905 5.399 1.00 63.30 H new ATOM 0 HA LEU A 29 1.077 3.689 6.069 1.00 41.01 H new ATOM 0 HB2 LEU A 29 -0.161 1.874 3.974 1.00 53.13 H new ATOM 0 HB3 LEU A 29 -0.592 3.566 4.129 1.00 53.13 H new ATOM 0 HG LEU A 29 1.006 3.320 2.353 1.00 70.54 H new ATOM 0 HD11 LEU A 29 2.812 4.832 3.111 1.00 70.31 H new ATOM 0 HD12 LEU A 29 1.214 5.353 3.697 1.00 70.31 H new ATOM 0 HD13 LEU A 29 2.341 4.531 4.801 1.00 70.31 H new ATOM 0 HD21 LEU A 29 3.288 2.452 2.708 1.00 63.12 H new ATOM 0 HD22 LEU A 29 2.853 2.012 4.376 1.00 63.12 H new ATOM 0 HD23 LEU A 29 2.046 1.213 3.006 1.00 63.12 H new ATOM 477 N LEU A 30 -1.447 1.598 6.596 1.00 32.13 N ATOM 478 CA LEU A 30 -2.682 1.378 7.369 1.00 71.15 C ATOM 479 C LEU A 30 -2.345 0.978 8.829 1.00 42.21 C ATOM 480 O LEU A 30 -3.133 0.340 9.527 1.00 50.42 O ATOM 481 CB LEU A 30 -3.509 0.284 6.673 1.00 5.31 C ATOM 482 CG LEU A 30 -4.933 0.053 7.208 1.00 3.45 C ATOM 483 CD1 LEU A 30 -5.819 1.265 6.942 1.00 35.33 C ATOM 484 CD2 LEU A 30 -5.532 -1.208 6.592 1.00 71.04 C ATOM 0 H LEU A 30 -1.150 0.786 6.055 1.00 32.13 H new ATOM 0 HA LEU A 30 -3.264 2.299 7.409 1.00 71.15 H new ATOM 0 HB2 LEU A 30 -3.579 0.531 5.614 1.00 5.31 H new ATOM 0 HB3 LEU A 30 -2.961 -0.655 6.745 1.00 5.31 H new ATOM 0 HG LEU A 30 -4.877 -0.085 8.288 1.00 3.45 H new ATOM 0 HD11 LEU A 30 -6.820 1.076 7.330 1.00 35.33 H new ATOM 0 HD12 LEU A 30 -5.397 2.140 7.437 1.00 35.33 H new ATOM 0 HD13 LEU A 30 -5.874 1.447 5.869 1.00 35.33 H new ATOM 0 HD21 LEU A 30 -6.540 -1.359 6.980 1.00 71.04 H new ATOM 0 HD22 LEU A 30 -5.573 -1.100 5.508 1.00 71.04 H new ATOM 0 HD23 LEU A 30 -4.912 -2.068 6.848 1.00 71.04 H new ATOM 496 N LYS A 31 -1.161 1.386 9.278 1.00 64.34 N ATOM 497 CA LYS A 31 -0.605 0.991 10.578 1.00 4.40 C ATOM 498 C LYS A 31 -1.364 1.612 11.769 1.00 61.31 C ATOM 499 O LYS A 31 -1.637 0.932 12.761 1.00 1.41 O ATOM 500 CB LYS A 31 0.874 1.397 10.600 1.00 61.23 C ATOM 501 CG LYS A 31 1.632 1.077 11.884 1.00 52.33 C ATOM 502 CD LYS A 31 3.137 1.279 11.695 1.00 12.42 C ATOM 503 CE LYS A 31 3.469 2.688 11.209 1.00 64.32 C ATOM 504 NZ LYS A 31 4.880 2.809 10.757 1.00 60.11 N ATOM 0 H LYS A 31 -0.551 2.007 8.747 1.00 64.34 H new ATOM 0 HA LYS A 31 -0.713 -0.088 10.692 1.00 4.40 H new ATOM 0 HB2 LYS A 31 1.379 0.903 9.770 1.00 61.23 H new ATOM 0 HB3 LYS A 31 0.939 2.470 10.420 1.00 61.23 H new ATOM 0 HG2 LYS A 31 1.274 1.716 12.691 1.00 52.33 H new ATOM 0 HG3 LYS A 31 1.434 0.047 12.181 1.00 52.33 H new ATOM 0 HD2 LYS A 31 3.649 1.091 12.639 1.00 12.42 H new ATOM 0 HD3 LYS A 31 3.513 0.550 10.977 1.00 12.42 H new ATOM 0 HE2 LYS A 31 2.803 2.954 10.388 1.00 64.32 H new ATOM 0 HE3 LYS A 31 3.285 3.401 12.013 1.00 64.32 H new ATOM 0 HZ1 LYS A 31 5.114 3.812 10.614 1.00 60.11 H new ATOM 0 HZ2 LYS A 31 5.511 2.406 11.478 1.00 60.11 H new ATOM 0 HZ3 LYS A 31 5.003 2.294 9.862 1.00 60.11 H new ATOM 518 N ASP A 32 -1.697 2.897 11.669 1.00 33.12 N ATOM 519 CA ASP A 32 -2.380 3.611 12.758 1.00 43.31 C ATOM 520 C ASP A 32 -3.911 3.606 12.594 1.00 54.41 C ATOM 521 O ASP A 32 -4.648 3.319 13.544 1.00 13.44 O ATOM 522 CB ASP A 32 -1.872 5.052 12.830 1.00 3.02 C ATOM 523 CG ASP A 32 -0.416 5.126 13.251 1.00 0.23 C ATOM 524 OD1 ASP A 32 0.472 4.955 12.392 1.00 44.34 O ATOM 525 OD2 ASP A 32 -0.154 5.355 14.451 1.00 52.21 O ATOM 0 H ASP A 32 -1.507 3.470 10.847 1.00 33.12 H new ATOM 0 HA ASP A 32 -2.151 3.086 13.685 1.00 43.31 H new ATOM 0 HB2 ASP A 32 -1.991 5.527 11.856 1.00 3.02 H new ATOM 0 HB3 ASP A 32 -2.482 5.616 13.536 1.00 3.02 H new ATOM 530 N MET A 33 -4.382 3.922 11.393 1.00 23.10 N ATOM 531 CA MET A 33 -5.821 4.025 11.120 1.00 55.25 C ATOM 532 C MET A 33 -6.463 2.645 10.900 1.00 40.11 C ATOM 533 O MET A 33 -5.773 1.634 10.758 1.00 24.21 O ATOM 534 CB MET A 33 -6.072 4.930 9.903 1.00 51.34 C ATOM 535 CG MET A 33 -5.361 4.479 8.631 1.00 2.13 C ATOM 536 SD MET A 33 -3.560 4.543 8.768 1.00 21.23 S ATOM 537 CE MET A 33 -3.286 6.303 8.964 1.00 73.45 C ATOM 0 H MET A 33 -3.789 4.113 10.585 1.00 23.10 H new ATOM 0 HA MET A 33 -6.289 4.469 11.998 1.00 55.25 H new ATOM 0 HB2 MET A 33 -7.144 4.972 9.711 1.00 51.34 H new ATOM 0 HB3 MET A 33 -5.751 5.943 10.145 1.00 51.34 H new ATOM 0 HG2 MET A 33 -5.666 3.460 8.393 1.00 2.13 H new ATOM 0 HG3 MET A 33 -5.679 5.109 7.801 1.00 2.13 H new ATOM 0 HE1 MET A 33 -2.240 6.533 8.760 1.00 73.45 H new ATOM 0 HE2 MET A 33 -3.921 6.850 8.267 1.00 73.45 H new ATOM 0 HE3 MET A 33 -3.530 6.598 9.985 1.00 73.45 H new ATOM 547 N ASN A 34 -7.791 2.613 10.871 1.00 54.24 N ATOM 548 CA ASN A 34 -8.537 1.354 10.767 1.00 13.32 C ATOM 549 C ASN A 34 -8.767 0.929 9.305 1.00 13.11 C ATOM 550 O ASN A 34 -8.793 1.761 8.395 1.00 42.30 O ATOM 551 CB ASN A 34 -9.871 1.487 11.503 1.00 60.42 C ATOM 552 CG ASN A 34 -9.678 1.785 12.978 1.00 55.23 C ATOM 553 OD1 ASN A 34 -8.720 1.330 13.599 1.00 35.50 O ATOM 554 ND2 ASN A 34 -10.574 2.557 13.551 1.00 75.22 N ATOM 0 H ASN A 34 -8.379 3.445 10.918 1.00 54.24 H new ATOM 0 HA ASN A 34 -7.937 0.572 11.232 1.00 13.32 H new ATOM 0 HB2 ASN A 34 -10.460 2.283 11.046 1.00 60.42 H new ATOM 0 HB3 ASN A 34 -10.441 0.565 11.391 1.00 60.42 H new ATOM 0 HD21 ASN A 34 -10.486 2.794 14.539 1.00 75.22 H new ATOM 0 HD22 ASN A 34 -11.358 2.919 13.008 1.00 75.22 H new ATOM 561 N GLN A 35 -8.971 -0.374 9.108 1.00 12.25 N ATOM 562 CA GLN A 35 -9.048 -0.986 7.770 1.00 43.30 C ATOM 563 C GLN A 35 -10.108 -0.331 6.864 1.00 21.43 C ATOM 564 O GLN A 35 -9.799 0.128 5.763 1.00 4.32 O ATOM 565 CB GLN A 35 -9.344 -2.486 7.919 1.00 63.23 C ATOM 566 CG GLN A 35 -8.343 -3.217 8.810 1.00 34.24 C ATOM 567 CD GLN A 35 -8.768 -4.641 9.130 1.00 34.31 C ATOM 568 OE1 GLN A 35 -8.333 -5.587 8.326 1.00 2.32 O flip ATOM 569 NE2 GLN A 35 -9.480 -4.887 10.100 1.00 61.23 N flip ATOM 0 H GLN A 35 -9.089 -1.041 9.870 1.00 12.25 H new ATOM 0 HA GLN A 35 -8.085 -0.828 7.285 1.00 43.30 H new ATOM 0 HB2 GLN A 35 -10.345 -2.612 8.331 1.00 63.23 H new ATOM 0 HB3 GLN A 35 -9.345 -2.948 6.932 1.00 63.23 H new ATOM 0 HG2 GLN A 35 -7.371 -3.235 8.317 1.00 34.24 H new ATOM 0 HG3 GLN A 35 -8.219 -2.662 9.740 1.00 34.24 H new ATOM 0 HE21 GLN A 35 -9.800 -4.129 10.703 1.00 61.23 H new ATOM 0 HE22 GLN A 35 -9.751 -5.849 10.302 1.00 61.23 H new ATOM 578 N SER A 36 -11.352 -0.287 7.333 1.00 1.23 N ATOM 579 CA SER A 36 -12.478 0.219 6.525 1.00 45.53 C ATOM 580 C SER A 36 -12.247 1.661 6.036 1.00 4.43 C ATOM 581 O SER A 36 -12.702 2.040 4.956 1.00 1.10 O ATOM 582 CB SER A 36 -13.785 0.143 7.329 1.00 12.54 C ATOM 583 OG SER A 36 -14.888 0.623 6.576 1.00 14.15 O ATOM 0 H SER A 36 -11.615 -0.594 8.269 1.00 1.23 H new ATOM 0 HA SER A 36 -12.551 -0.418 5.643 1.00 45.53 H new ATOM 0 HB2 SER A 36 -13.969 -0.889 7.629 1.00 12.54 H new ATOM 0 HB3 SER A 36 -13.685 0.728 8.243 1.00 12.54 H new ATOM 0 HG SER A 36 -15.704 0.560 7.115 1.00 14.15 H new ATOM 589 N SER A 37 -11.519 2.456 6.821 1.00 74.44 N ATOM 590 CA SER A 37 -11.233 3.858 6.464 1.00 43.20 C ATOM 591 C SER A 37 -10.462 3.974 5.137 1.00 14.11 C ATOM 592 O SER A 37 -10.571 4.976 4.424 1.00 62.51 O ATOM 593 CB SER A 37 -10.434 4.550 7.579 1.00 53.22 C ATOM 594 OG SER A 37 -10.161 5.907 7.257 1.00 53.23 O ATOM 0 H SER A 37 -11.114 2.159 7.709 1.00 74.44 H new ATOM 0 HA SER A 37 -12.196 4.353 6.341 1.00 43.20 H new ATOM 0 HB2 SER A 37 -10.994 4.502 8.513 1.00 53.22 H new ATOM 0 HB3 SER A 37 -9.497 4.017 7.741 1.00 53.22 H new ATOM 0 HG SER A 37 -9.653 6.320 7.986 1.00 53.23 H new ATOM 600 N LEU A 38 -9.698 2.935 4.803 1.00 64.20 N ATOM 601 CA LEU A 38 -8.859 2.934 3.596 1.00 4.43 C ATOM 602 C LEU A 38 -9.695 2.734 2.314 1.00 53.03 C ATOM 603 O LEU A 38 -9.214 2.978 1.203 1.00 54.14 O ATOM 604 CB LEU A 38 -7.790 1.835 3.714 1.00 51.41 C ATOM 605 CG LEU A 38 -6.715 1.825 2.613 1.00 5.32 C ATOM 606 CD1 LEU A 38 -5.891 3.110 2.646 1.00 54.14 C ATOM 607 CD2 LEU A 38 -5.815 0.600 2.750 1.00 4.51 C ATOM 0 H LEU A 38 -9.640 2.077 5.352 1.00 64.20 H new ATOM 0 HA LEU A 38 -8.377 3.909 3.518 1.00 4.43 H new ATOM 0 HB2 LEU A 38 -7.294 1.939 4.679 1.00 51.41 H new ATOM 0 HB3 LEU A 38 -8.290 0.867 3.716 1.00 51.41 H new ATOM 0 HG LEU A 38 -7.218 1.772 1.647 1.00 5.32 H new ATOM 0 HD11 LEU A 38 -5.138 3.080 1.859 1.00 54.14 H new ATOM 0 HD12 LEU A 38 -6.546 3.967 2.488 1.00 54.14 H new ATOM 0 HD13 LEU A 38 -5.400 3.202 3.615 1.00 54.14 H new ATOM 0 HD21 LEU A 38 -5.062 0.612 1.962 1.00 4.51 H new ATOM 0 HD22 LEU A 38 -5.323 0.617 3.723 1.00 4.51 H new ATOM 0 HD23 LEU A 38 -6.416 -0.305 2.663 1.00 4.51 H new ATOM 619 N ALA A 39 -10.954 2.316 2.476 1.00 51.23 N ATOM 620 CA ALA A 39 -11.849 2.060 1.334 1.00 44.34 C ATOM 621 C ALA A 39 -12.066 3.313 0.464 1.00 34.14 C ATOM 622 O ALA A 39 -12.441 3.212 -0.705 1.00 71.40 O ATOM 623 CB ALA A 39 -13.189 1.524 1.830 1.00 2.32 C ATOM 0 H ALA A 39 -11.381 2.146 3.387 1.00 51.23 H new ATOM 0 HA ALA A 39 -11.365 1.313 0.705 1.00 44.34 H new ATOM 0 HB1 ALA A 39 -13.844 1.338 0.979 1.00 2.32 H new ATOM 0 HB2 ALA A 39 -13.029 0.594 2.375 1.00 2.32 H new ATOM 0 HB3 ALA A 39 -13.652 2.257 2.491 1.00 2.32 H new ATOM 629 N LYS A 40 -11.847 4.493 1.045 1.00 62.42 N ATOM 630 CA LYS A 40 -11.956 5.755 0.300 1.00 12.03 C ATOM 631 C LYS A 40 -10.673 6.059 -0.490 1.00 23.51 C ATOM 632 O LYS A 40 -10.730 6.457 -1.657 1.00 70.25 O ATOM 633 CB LYS A 40 -12.261 6.920 1.251 1.00 14.30 C ATOM 634 CG LYS A 40 -13.652 6.868 1.877 1.00 50.45 C ATOM 635 CD LYS A 40 -14.759 6.953 0.826 1.00 64.42 C ATOM 636 CE LYS A 40 -16.142 7.003 1.463 1.00 12.32 C ATOM 637 NZ LYS A 40 -17.225 7.057 0.443 1.00 63.00 N ATOM 0 H LYS A 40 -11.593 4.605 2.027 1.00 62.42 H new ATOM 0 HA LYS A 40 -12.777 5.641 -0.408 1.00 12.03 H new ATOM 0 HB2 LYS A 40 -11.517 6.929 2.047 1.00 14.30 H new ATOM 0 HB3 LYS A 40 -12.155 7.857 0.705 1.00 14.30 H new ATOM 0 HG2 LYS A 40 -13.760 5.943 2.443 1.00 50.45 H new ATOM 0 HG3 LYS A 40 -13.761 7.689 2.585 1.00 50.45 H new ATOM 0 HD2 LYS A 40 -14.610 7.841 0.212 1.00 64.42 H new ATOM 0 HD3 LYS A 40 -14.696 6.091 0.161 1.00 64.42 H new ATOM 0 HE2 LYS A 40 -16.282 6.126 2.094 1.00 12.32 H new ATOM 0 HE3 LYS A 40 -16.211 7.876 2.111 1.00 12.32 H new ATOM 0 HZ1 LYS A 40 -18.149 7.090 0.919 1.00 63.00 H new ATOM 0 HZ2 LYS A 40 -17.107 7.908 -0.144 1.00 63.00 H new ATOM 0 HZ3 LYS A 40 -17.176 6.211 -0.160 1.00 63.00 H new ATOM 651 N GLU A 41 -9.521 5.861 0.152 1.00 34.14 N ATOM 652 CA GLU A 41 -8.221 6.188 -0.450 1.00 62.50 C ATOM 653 C GLU A 41 -7.936 5.310 -1.677 1.00 63.10 C ATOM 654 O GLU A 41 -7.823 5.801 -2.803 1.00 34.31 O ATOM 655 CB GLU A 41 -7.096 6.000 0.580 1.00 34.34 C ATOM 656 CG GLU A 41 -7.351 6.672 1.926 1.00 12.21 C ATOM 657 CD GLU A 41 -7.680 8.151 1.803 1.00 74.21 C ATOM 658 OE1 GLU A 41 -6.836 8.915 1.288 1.00 32.22 O ATOM 659 OE2 GLU A 41 -8.775 8.562 2.250 1.00 63.42 O ATOM 0 H GLU A 41 -9.459 5.474 1.094 1.00 34.14 H new ATOM 0 HA GLU A 41 -8.258 7.230 -0.769 1.00 62.50 H new ATOM 0 HB2 GLU A 41 -6.945 4.933 0.744 1.00 34.34 H new ATOM 0 HB3 GLU A 41 -6.169 6.392 0.162 1.00 34.34 H new ATOM 0 HG2 GLU A 41 -8.174 6.164 2.429 1.00 12.21 H new ATOM 0 HG3 GLU A 41 -6.470 6.553 2.557 1.00 12.21 H new ATOM 666 N CYS A 42 -7.830 4.004 -1.449 1.00 24.24 N ATOM 667 CA CYS A 42 -7.557 3.049 -2.527 1.00 34.13 C ATOM 668 C CYS A 42 -8.854 2.645 -3.243 1.00 2.00 C ATOM 669 O CYS A 42 -9.881 2.427 -2.599 1.00 61.15 O ATOM 670 CB CYS A 42 -6.869 1.797 -1.971 1.00 71.44 C ATOM 671 SG CYS A 42 -7.884 0.842 -0.817 1.00 61.05 S ATOM 0 H CYS A 42 -7.929 3.579 -0.527 1.00 24.24 H new ATOM 0 HA CYS A 42 -6.896 3.535 -3.244 1.00 34.13 H new ATOM 0 HB2 CYS A 42 -6.583 1.154 -2.803 1.00 71.44 H new ATOM 0 HB3 CYS A 42 -5.949 2.095 -1.467 1.00 71.44 H new ATOM 0 HG CYS A 42 -8.517 1.653 -0.022 1.00 61.05 H new ATOM 677 N PRO A 43 -8.838 2.541 -4.588 1.00 73.12 N ATOM 678 CA PRO A 43 -10.017 2.115 -5.374 1.00 11.30 C ATOM 679 C PRO A 43 -10.349 0.613 -5.216 1.00 24.31 C ATOM 680 O PRO A 43 -10.972 0.009 -6.092 1.00 74.04 O ATOM 681 CB PRO A 43 -9.611 2.432 -6.834 1.00 25.55 C ATOM 682 CG PRO A 43 -8.373 3.267 -6.738 1.00 10.43 C ATOM 683 CD PRO A 43 -7.696 2.854 -5.461 1.00 74.24 C ATOM 0 HA PRO A 43 -10.920 2.627 -5.043 1.00 11.30 H new ATOM 0 HB2 PRO A 43 -9.423 1.517 -7.396 1.00 25.55 H new ATOM 0 HB3 PRO A 43 -10.405 2.968 -7.354 1.00 25.55 H new ATOM 0 HG2 PRO A 43 -7.722 3.101 -7.597 1.00 10.43 H new ATOM 0 HG3 PRO A 43 -8.618 4.329 -6.724 1.00 10.43 H new ATOM 0 HD2 PRO A 43 -7.046 1.991 -5.606 1.00 74.24 H new ATOM 0 HD3 PRO A 43 -7.078 3.653 -5.051 1.00 74.24 H new ATOM 691 N LEU A 44 -9.959 0.025 -4.086 1.00 41.42 N ATOM 692 CA LEU A 44 -10.165 -1.405 -3.829 1.00 55.43 C ATOM 693 C LEU A 44 -11.361 -1.638 -2.892 1.00 55.41 C ATOM 694 O LEU A 44 -12.009 -0.692 -2.436 1.00 30.50 O ATOM 695 CB LEU A 44 -8.893 -2.010 -3.214 1.00 33.13 C ATOM 696 CG LEU A 44 -7.606 -1.828 -4.043 1.00 23.24 C ATOM 697 CD1 LEU A 44 -6.397 -2.386 -3.295 1.00 2.44 C ATOM 698 CD2 LEU A 44 -7.742 -2.488 -5.415 1.00 4.54 C ATOM 0 H LEU A 44 -9.494 0.520 -3.325 1.00 41.42 H new ATOM 0 HA LEU A 44 -10.381 -1.894 -4.779 1.00 55.43 H new ATOM 0 HB2 LEU A 44 -8.738 -1.565 -2.231 1.00 33.13 H new ATOM 0 HB3 LEU A 44 -9.057 -3.076 -3.058 1.00 33.13 H new ATOM 0 HG LEU A 44 -7.452 -0.760 -4.195 1.00 23.24 H new ATOM 0 HD11 LEU A 44 -5.500 -2.247 -3.898 1.00 2.44 H new ATOM 0 HD12 LEU A 44 -6.282 -1.861 -2.347 1.00 2.44 H new ATOM 0 HD13 LEU A 44 -6.545 -3.449 -3.105 1.00 2.44 H new ATOM 0 HD21 LEU A 44 -6.821 -2.345 -5.980 1.00 4.54 H new ATOM 0 HD22 LEU A 44 -7.929 -3.554 -5.289 1.00 4.54 H new ATOM 0 HD23 LEU A 44 -8.573 -2.035 -5.956 1.00 4.54 H new ATOM 710 N SER A 45 -11.650 -2.904 -2.605 1.00 63.41 N ATOM 711 CA SER A 45 -12.756 -3.265 -1.708 1.00 12.00 C ATOM 712 C SER A 45 -12.268 -3.487 -0.270 1.00 62.05 C ATOM 713 O SER A 45 -11.154 -3.974 -0.044 1.00 30.42 O ATOM 714 CB SER A 45 -13.461 -4.533 -2.205 1.00 11.32 C ATOM 715 OG SER A 45 -12.591 -5.655 -2.184 1.00 64.32 O ATOM 0 H SER A 45 -11.136 -3.702 -2.979 1.00 63.41 H new ATOM 0 HA SER A 45 -13.458 -2.431 -1.711 1.00 12.00 H new ATOM 0 HB2 SER A 45 -14.332 -4.735 -1.581 1.00 11.32 H new ATOM 0 HB3 SER A 45 -13.826 -4.373 -3.220 1.00 11.32 H new ATOM 0 HG SER A 45 -13.071 -6.447 -2.505 1.00 64.32 H new ATOM 721 N GLN A 46 -13.116 -3.140 0.701 1.00 34.03 N ATOM 722 CA GLN A 46 -12.804 -3.368 2.117 1.00 75.20 C ATOM 723 C GLN A 46 -12.600 -4.865 2.393 1.00 14.32 C ATOM 724 O GLN A 46 -11.905 -5.242 3.338 1.00 61.22 O ATOM 725 CB GLN A 46 -13.922 -2.792 3.011 1.00 33.20 C ATOM 726 CG GLN A 46 -13.734 -3.042 4.514 1.00 32.24 C ATOM 727 CD GLN A 46 -14.673 -4.110 5.064 1.00 55.13 C ATOM 728 OE1 GLN A 46 -14.264 -5.360 5.001 1.00 53.52 O flip ATOM 729 NE2 GLN A 46 -15.765 -3.811 5.533 1.00 34.21 N flip ATOM 0 H GLN A 46 -14.022 -2.701 0.535 1.00 34.03 H new ATOM 0 HA GLN A 46 -11.874 -2.852 2.355 1.00 75.20 H new ATOM 0 HB2 GLN A 46 -13.987 -1.717 2.841 1.00 33.20 H new ATOM 0 HB3 GLN A 46 -14.874 -3.222 2.701 1.00 33.20 H new ATOM 0 HG2 GLN A 46 -12.703 -3.342 4.700 1.00 32.24 H new ATOM 0 HG3 GLN A 46 -13.897 -2.110 5.055 1.00 32.24 H new ATOM 0 HE21 GLN A 46 -16.054 -2.834 5.568 1.00 34.21 H new ATOM 0 HE22 GLN A 46 -16.384 -4.540 5.888 1.00 34.21 H new ATOM 738 N SER A 47 -13.208 -5.709 1.560 1.00 64.11 N ATOM 739 CA SER A 47 -13.017 -7.167 1.639 1.00 10.12 C ATOM 740 C SER A 47 -11.522 -7.535 1.619 1.00 12.21 C ATOM 741 O SER A 47 -11.025 -8.226 2.517 1.00 53.45 O ATOM 742 CB SER A 47 -13.742 -7.861 0.476 1.00 32.14 C ATOM 743 OG SER A 47 -13.607 -9.271 0.541 1.00 41.31 O ATOM 0 H SER A 47 -13.841 -5.412 0.817 1.00 64.11 H new ATOM 0 HA SER A 47 -13.440 -7.510 2.583 1.00 10.12 H new ATOM 0 HB2 SER A 47 -14.799 -7.595 0.496 1.00 32.14 H new ATOM 0 HB3 SER A 47 -13.340 -7.500 -0.471 1.00 32.14 H new ATOM 0 HG SER A 47 -14.082 -9.680 -0.213 1.00 41.31 H new ATOM 749 N MET A 48 -10.802 -7.040 0.608 1.00 5.21 N ATOM 750 CA MET A 48 -9.355 -7.277 0.491 1.00 31.42 C ATOM 751 C MET A 48 -8.604 -6.698 1.699 1.00 61.45 C ATOM 752 O MET A 48 -7.738 -7.350 2.286 1.00 34.13 O ATOM 753 CB MET A 48 -8.806 -6.633 -0.794 1.00 0.01 C ATOM 754 CG MET A 48 -9.509 -7.068 -2.072 1.00 41.34 C ATOM 755 SD MET A 48 -8.779 -6.304 -3.540 1.00 33.21 S ATOM 756 CE MET A 48 -9.927 -6.841 -4.810 1.00 1.40 C ATOM 0 H MET A 48 -11.195 -6.472 -0.143 1.00 5.21 H new ATOM 0 HA MET A 48 -9.200 -8.355 0.456 1.00 31.42 H new ATOM 0 HB2 MET A 48 -8.883 -5.550 -0.703 1.00 0.01 H new ATOM 0 HB3 MET A 48 -7.746 -6.871 -0.879 1.00 0.01 H new ATOM 0 HG2 MET A 48 -9.456 -8.153 -2.164 1.00 41.34 H new ATOM 0 HG3 MET A 48 -10.565 -6.804 -2.013 1.00 41.34 H new ATOM 0 HE1 MET A 48 -9.706 -6.323 -5.743 1.00 1.40 H new ATOM 0 HE2 MET A 48 -9.827 -7.916 -4.960 1.00 1.40 H new ATOM 0 HE3 MET A 48 -10.946 -6.611 -4.500 1.00 1.40 H new ATOM 766 N ILE A 49 -8.958 -5.467 2.062 1.00 61.13 N ATOM 767 CA ILE A 49 -8.282 -4.731 3.141 1.00 61.23 C ATOM 768 C ILE A 49 -8.547 -5.355 4.526 1.00 25.34 C ATOM 769 O ILE A 49 -7.748 -5.207 5.450 1.00 2.35 O ATOM 770 CB ILE A 49 -8.739 -3.245 3.151 1.00 65.01 C ATOM 771 CG1 ILE A 49 -8.573 -2.628 1.752 1.00 43.34 C ATOM 772 CG2 ILE A 49 -7.953 -2.438 4.186 1.00 33.40 C ATOM 773 CD1 ILE A 49 -9.103 -1.212 1.636 1.00 63.43 C ATOM 0 H ILE A 49 -9.718 -4.949 1.622 1.00 61.13 H new ATOM 0 HA ILE A 49 -7.212 -4.790 2.943 1.00 61.23 H new ATOM 0 HB ILE A 49 -9.793 -3.214 3.427 1.00 65.01 H new ATOM 0 HG12 ILE A 49 -7.516 -2.632 1.487 1.00 43.34 H new ATOM 0 HG13 ILE A 49 -9.086 -3.258 1.025 1.00 43.34 H new ATOM 0 HG21 ILE A 49 -8.292 -1.402 4.173 1.00 33.40 H new ATOM 0 HG22 ILE A 49 -8.116 -2.861 5.177 1.00 33.40 H new ATOM 0 HG23 ILE A 49 -6.890 -2.475 3.946 1.00 33.40 H new ATOM 0 HD11 ILE A 49 -8.949 -0.848 0.620 1.00 63.43 H new ATOM 0 HD12 ILE A 49 -10.168 -1.202 1.867 1.00 63.43 H new ATOM 0 HD13 ILE A 49 -8.573 -0.567 2.337 1.00 63.43 H new ATOM 785 N SER A 50 -9.671 -6.055 4.666 1.00 43.24 N ATOM 786 CA SER A 50 -10.064 -6.632 5.959 1.00 51.02 C ATOM 787 C SER A 50 -9.375 -7.975 6.233 1.00 12.23 C ATOM 788 O SER A 50 -8.806 -8.179 7.306 1.00 72.04 O ATOM 789 CB SER A 50 -11.584 -6.816 6.037 1.00 14.21 C ATOM 790 OG SER A 50 -11.976 -7.372 7.286 1.00 11.11 O ATOM 0 H SER A 50 -10.326 -6.238 3.906 1.00 43.24 H new ATOM 0 HA SER A 50 -9.741 -5.924 6.723 1.00 51.02 H new ATOM 0 HB2 SER A 50 -12.076 -5.854 5.895 1.00 14.21 H new ATOM 0 HB3 SER A 50 -11.915 -7.466 5.227 1.00 14.21 H new ATOM 0 HG SER A 50 -12.950 -7.476 7.306 1.00 11.11 H new ATOM 796 N SER A 51 -9.420 -8.886 5.262 1.00 41.10 N ATOM 797 CA SER A 51 -8.934 -10.262 5.473 1.00 55.53 C ATOM 798 C SER A 51 -7.470 -10.457 5.045 1.00 43.41 C ATOM 799 O SER A 51 -6.616 -10.812 5.862 1.00 3.41 O ATOM 800 CB SER A 51 -9.824 -11.256 4.717 1.00 75.01 C ATOM 801 OG SER A 51 -9.396 -12.594 4.931 1.00 74.02 O ATOM 0 H SER A 51 -9.784 -8.705 4.326 1.00 41.10 H new ATOM 0 HA SER A 51 -8.983 -10.448 6.546 1.00 55.53 H new ATOM 0 HB2 SER A 51 -10.858 -11.145 5.045 1.00 75.01 H new ATOM 0 HB3 SER A 51 -9.802 -11.030 3.651 1.00 75.01 H new ATOM 0 HG SER A 51 -9.981 -13.207 4.439 1.00 74.02 H new ATOM 807 N ILE A 52 -7.184 -10.218 3.762 1.00 43.31 N ATOM 808 CA ILE A 52 -5.861 -10.522 3.179 1.00 25.33 C ATOM 809 C ILE A 52 -4.699 -9.880 3.965 1.00 51.20 C ATOM 810 O ILE A 52 -3.607 -10.446 4.048 1.00 21.12 O ATOM 811 CB ILE A 52 -5.786 -10.068 1.695 1.00 11.03 C ATOM 812 CG1 ILE A 52 -6.913 -10.726 0.879 1.00 11.43 C ATOM 813 CG2 ILE A 52 -4.419 -10.400 1.087 1.00 71.11 C ATOM 814 CD1 ILE A 52 -6.934 -10.314 -0.580 1.00 43.02 C ATOM 0 H ILE A 52 -7.848 -9.814 3.101 1.00 43.31 H new ATOM 0 HA ILE A 52 -5.750 -11.605 3.239 1.00 25.33 H new ATOM 0 HB ILE A 52 -5.915 -8.986 1.662 1.00 11.03 H new ATOM 0 HG12 ILE A 52 -6.808 -11.809 0.939 1.00 11.43 H new ATOM 0 HG13 ILE A 52 -7.872 -10.473 1.332 1.00 11.43 H new ATOM 0 HG21 ILE A 52 -4.394 -10.072 0.048 1.00 71.11 H new ATOM 0 HG22 ILE A 52 -3.637 -9.889 1.648 1.00 71.11 H new ATOM 0 HG23 ILE A 52 -4.253 -11.476 1.132 1.00 71.11 H new ATOM 0 HD11 ILE A 52 -7.755 -10.819 -1.089 1.00 43.02 H new ATOM 0 HD12 ILE A 52 -7.071 -9.235 -0.651 1.00 43.02 H new ATOM 0 HD13 ILE A 52 -5.991 -10.592 -1.050 1.00 43.02 H new ATOM 826 N VAL A 53 -4.948 -8.712 4.554 1.00 65.11 N ATOM 827 CA VAL A 53 -3.924 -7.973 5.308 1.00 11.55 C ATOM 828 C VAL A 53 -3.277 -8.818 6.429 1.00 12.00 C ATOM 829 O VAL A 53 -2.092 -8.653 6.746 1.00 51.22 O ATOM 830 CB VAL A 53 -4.530 -6.686 5.922 1.00 24.14 C ATOM 831 CG1 VAL A 53 -5.654 -7.025 6.904 1.00 20.05 C ATOM 832 CG2 VAL A 53 -3.454 -5.836 6.597 1.00 52.10 C ATOM 0 H VAL A 53 -5.857 -8.250 4.526 1.00 65.11 H new ATOM 0 HA VAL A 53 -3.141 -7.717 4.595 1.00 11.55 H new ATOM 0 HB VAL A 53 -4.957 -6.099 5.109 1.00 24.14 H new ATOM 0 HG11 VAL A 53 -6.063 -6.105 7.321 1.00 20.05 H new ATOM 0 HG12 VAL A 53 -6.442 -7.568 6.382 1.00 20.05 H new ATOM 0 HG13 VAL A 53 -5.259 -7.644 7.709 1.00 20.05 H new ATOM 0 HG21 VAL A 53 -3.909 -4.940 7.018 1.00 52.10 H new ATOM 0 HG22 VAL A 53 -2.982 -6.412 7.393 1.00 52.10 H new ATOM 0 HG23 VAL A 53 -2.702 -5.549 5.862 1.00 52.10 H new ATOM 842 N ASN A 54 -4.048 -9.727 7.019 1.00 33.42 N ATOM 843 CA ASN A 54 -3.564 -10.528 8.151 1.00 1.53 C ATOM 844 C ASN A 54 -3.143 -11.940 7.730 1.00 21.52 C ATOM 845 O ASN A 54 -2.804 -12.772 8.575 1.00 61.53 O ATOM 846 CB ASN A 54 -4.644 -10.602 9.233 1.00 74.32 C ATOM 847 CG ASN A 54 -4.949 -9.241 9.828 1.00 45.15 C ATOM 848 OD1 ASN A 54 -4.081 -8.379 9.912 1.00 21.21 O ATOM 849 ND2 ASN A 54 -6.178 -9.036 10.246 1.00 11.31 N ATOM 0 H ASN A 54 -5.007 -9.931 6.737 1.00 33.42 H new ATOM 0 HA ASN A 54 -2.677 -10.033 8.546 1.00 1.53 H new ATOM 0 HB2 ASN A 54 -5.555 -11.024 8.807 1.00 74.32 H new ATOM 0 HB3 ASN A 54 -4.319 -11.278 10.024 1.00 74.32 H new ATOM 0 HD21 ASN A 54 -6.434 -8.138 10.655 1.00 11.31 H new ATOM 0 HD22 ASN A 54 -6.876 -9.775 10.161 1.00 11.31 H new ATOM 856 N SER A 55 -3.149 -12.214 6.427 1.00 61.21 N ATOM 857 CA SER A 55 -2.729 -13.529 5.922 1.00 25.44 C ATOM 858 C SER A 55 -1.237 -13.534 5.568 1.00 5.22 C ATOM 859 O SER A 55 -0.838 -13.138 4.471 1.00 42.51 O ATOM 860 CB SER A 55 -3.560 -13.947 4.701 1.00 13.43 C ATOM 861 OG SER A 55 -3.188 -15.243 4.248 1.00 34.21 O ATOM 0 H SER A 55 -3.436 -11.554 5.704 1.00 61.21 H new ATOM 0 HA SER A 55 -2.899 -14.252 6.720 1.00 25.44 H new ATOM 0 HB2 SER A 55 -4.619 -13.938 4.958 1.00 13.43 H new ATOM 0 HB3 SER A 55 -3.421 -13.224 3.898 1.00 13.43 H new ATOM 0 HG SER A 55 -3.910 -15.619 3.703 1.00 34.21 H new ATOM 867 N THR A 56 -0.412 -13.995 6.504 1.00 4.32 N ATOM 868 CA THR A 56 1.049 -14.003 6.330 1.00 73.03 C ATOM 869 C THR A 56 1.528 -15.171 5.454 1.00 44.50 C ATOM 870 O THR A 56 2.713 -15.511 5.456 1.00 52.13 O ATOM 871 CB THR A 56 1.769 -14.084 7.698 1.00 30.53 C ATOM 872 OG1 THR A 56 1.400 -15.296 8.372 1.00 61.12 O ATOM 873 CG2 THR A 56 1.421 -12.886 8.578 1.00 33.53 C ATOM 0 H THR A 56 -0.727 -14.371 7.398 1.00 4.32 H new ATOM 0 HA THR A 56 1.299 -13.068 5.829 1.00 73.03 H new ATOM 0 HB THR A 56 2.843 -14.075 7.514 1.00 30.53 H new ATOM 0 HG1 THR A 56 1.860 -15.343 9.236 1.00 61.12 H new ATOM 0 HG21 THR A 56 1.942 -12.972 9.532 1.00 33.53 H new ATOM 0 HG22 THR A 56 1.727 -11.967 8.079 1.00 33.53 H new ATOM 0 HG23 THR A 56 0.345 -12.863 8.753 1.00 33.53 H new ATOM 881 N TYR A 57 0.614 -15.784 4.703 1.00 35.13 N ATOM 882 CA TYR A 57 0.965 -16.909 3.827 1.00 64.24 C ATOM 883 C TYR A 57 -0.002 -17.036 2.636 1.00 34.32 C ATOM 884 O TYR A 57 -0.088 -18.095 2.010 1.00 3.32 O ATOM 885 CB TYR A 57 0.987 -18.220 4.636 1.00 54.53 C ATOM 886 CG TYR A 57 -0.361 -18.619 5.224 1.00 12.53 C ATOM 887 CD1 TYR A 57 -0.824 -18.051 6.407 1.00 4.20 C ATOM 888 CD2 TYR A 57 -1.165 -19.567 4.596 1.00 3.33 C ATOM 889 CE1 TYR A 57 -2.046 -18.414 6.942 1.00 63.25 C ATOM 890 CE2 TYR A 57 -2.386 -19.934 5.128 1.00 73.23 C ATOM 891 CZ TYR A 57 -2.822 -19.354 6.299 1.00 74.35 C ATOM 892 OH TYR A 57 -4.038 -19.721 6.831 1.00 51.20 O ATOM 0 H TYR A 57 -0.372 -15.524 4.681 1.00 35.13 H new ATOM 0 HA TYR A 57 1.958 -16.714 3.422 1.00 64.24 H new ATOM 0 HB2 TYR A 57 1.341 -19.025 3.992 1.00 54.53 H new ATOM 0 HB3 TYR A 57 1.708 -18.120 5.447 1.00 54.53 H new ATOM 0 HD1 TYR A 57 -0.219 -17.315 6.915 1.00 4.20 H new ATOM 0 HD2 TYR A 57 -0.828 -20.023 3.677 1.00 3.33 H new ATOM 0 HE1 TYR A 57 -2.391 -17.963 7.860 1.00 63.25 H new ATOM 0 HE2 TYR A 57 -2.996 -20.672 4.628 1.00 73.23 H new ATOM 0 HH TYR A 57 -4.458 -20.393 6.254 1.00 51.20 H new ATOM 902 N TYR A 58 -0.708 -15.953 2.304 1.00 40.54 N ATOM 903 CA TYR A 58 -1.724 -16.006 1.245 1.00 3.30 C ATOM 904 C TYR A 58 -1.097 -16.294 -0.131 1.00 33.23 C ATOM 905 O TYR A 58 -1.429 -17.293 -0.770 1.00 10.34 O ATOM 906 CB TYR A 58 -2.542 -14.704 1.194 1.00 73.21 C ATOM 907 CG TYR A 58 -3.799 -14.822 0.349 1.00 61.35 C ATOM 908 CD1 TYR A 58 -4.776 -15.760 0.667 1.00 50.13 C ATOM 909 CD2 TYR A 58 -4.002 -14.019 -0.769 1.00 10.52 C ATOM 910 CE1 TYR A 58 -5.917 -15.893 -0.098 1.00 52.45 C ATOM 911 CE2 TYR A 58 -5.141 -14.150 -1.543 1.00 41.42 C ATOM 912 CZ TYR A 58 -6.094 -15.089 -1.203 1.00 54.53 C ATOM 913 OH TYR A 58 -7.221 -15.235 -1.979 1.00 5.21 O ATOM 0 H TYR A 58 -0.599 -15.040 2.745 1.00 40.54 H new ATOM 0 HA TYR A 58 -2.396 -16.829 1.489 1.00 3.30 H new ATOM 0 HB2 TYR A 58 -2.819 -14.416 2.208 1.00 73.21 H new ATOM 0 HB3 TYR A 58 -1.917 -13.905 0.795 1.00 73.21 H new ATOM 0 HD1 TYR A 58 -4.639 -16.396 1.529 1.00 50.13 H new ATOM 0 HD2 TYR A 58 -3.259 -13.282 -1.037 1.00 10.52 H new ATOM 0 HE1 TYR A 58 -6.667 -16.623 0.168 1.00 52.45 H new ATOM 0 HE2 TYR A 58 -5.284 -13.521 -2.409 1.00 41.42 H new ATOM 0 HH TYR A 58 -6.968 -15.575 -2.863 1.00 5.21 H new ATOM 923 N ALA A 59 -0.212 -15.401 -0.590 1.00 61.30 N ATOM 924 CA ALA A 59 0.528 -15.578 -1.858 1.00 45.55 C ATOM 925 C ALA A 59 -0.352 -15.417 -3.121 1.00 60.22 C ATOM 926 O ALA A 59 0.137 -14.992 -4.170 1.00 54.32 O ATOM 927 CB ALA A 59 1.245 -16.928 -1.875 1.00 14.43 C ATOM 0 H ALA A 59 0.015 -14.536 -0.099 1.00 61.30 H new ATOM 0 HA ALA A 59 1.261 -14.772 -1.895 1.00 45.55 H new ATOM 0 HB1 ALA A 59 1.784 -17.042 -2.815 1.00 14.43 H new ATOM 0 HB2 ALA A 59 1.949 -16.976 -1.044 1.00 14.43 H new ATOM 0 HB3 ALA A 59 0.513 -17.730 -1.777 1.00 14.43 H new ATOM 933 N ASN A 60 -1.639 -15.753 -3.020 1.00 45.02 N ATOM 934 CA ASN A 60 -2.578 -15.672 -4.153 1.00 54.44 C ATOM 935 C ASN A 60 -2.915 -14.212 -4.539 1.00 41.34 C ATOM 936 O ASN A 60 -3.709 -13.967 -5.450 1.00 12.42 O ATOM 937 CB ASN A 60 -3.862 -16.442 -3.796 1.00 51.20 C ATOM 938 CG ASN A 60 -4.914 -16.440 -4.897 1.00 73.41 C ATOM 939 OD1 ASN A 60 -6.106 -16.352 -4.623 1.00 10.03 O ATOM 940 ND2 ASN A 60 -4.496 -16.573 -6.139 1.00 21.14 N ATOM 0 H ASN A 60 -2.064 -16.089 -2.156 1.00 45.02 H new ATOM 0 HA ASN A 60 -2.098 -16.121 -5.022 1.00 54.44 H new ATOM 0 HB2 ASN A 60 -3.601 -17.473 -3.560 1.00 51.20 H new ATOM 0 HB3 ASN A 60 -4.294 -16.008 -2.894 1.00 51.20 H new ATOM 0 HD21 ASN A 60 -5.171 -16.605 -6.903 1.00 21.14 H new ATOM 0 HD22 ASN A 60 -3.498 -16.644 -6.336 1.00 21.14 H new ATOM 947 N VAL A 61 -2.314 -13.242 -3.847 1.00 14.53 N ATOM 948 CA VAL A 61 -2.503 -11.825 -4.184 1.00 12.12 C ATOM 949 C VAL A 61 -2.200 -11.579 -5.673 1.00 60.04 C ATOM 950 O VAL A 61 -1.045 -11.611 -6.096 1.00 1.24 O ATOM 951 CB VAL A 61 -1.601 -10.907 -3.317 1.00 40.13 C ATOM 952 CG1 VAL A 61 -1.856 -9.433 -3.634 1.00 31.33 C ATOM 953 CG2 VAL A 61 -1.804 -11.189 -1.830 1.00 5.14 C ATOM 0 H VAL A 61 -1.695 -13.408 -3.053 1.00 14.53 H new ATOM 0 HA VAL A 61 -3.545 -11.580 -3.978 1.00 12.12 H new ATOM 0 HB VAL A 61 -0.562 -11.128 -3.562 1.00 40.13 H new ATOM 0 HG11 VAL A 61 -1.212 -8.811 -3.013 1.00 31.33 H new ATOM 0 HG12 VAL A 61 -1.639 -9.244 -4.685 1.00 31.33 H new ATOM 0 HG13 VAL A 61 -2.899 -9.192 -3.430 1.00 31.33 H new ATOM 0 HG21 VAL A 61 -1.161 -10.533 -1.244 1.00 5.14 H new ATOM 0 HG22 VAL A 61 -2.845 -11.008 -1.564 1.00 5.14 H new ATOM 0 HG23 VAL A 61 -1.551 -12.228 -1.619 1.00 5.14 H new ATOM 963 N SER A 62 -3.245 -11.345 -6.463 1.00 64.43 N ATOM 964 CA SER A 62 -3.113 -11.257 -7.929 1.00 2.31 C ATOM 965 C SER A 62 -2.636 -9.869 -8.403 1.00 45.44 C ATOM 966 O SER A 62 -2.256 -9.021 -7.594 1.00 3.43 O ATOM 967 CB SER A 62 -4.444 -11.634 -8.590 1.00 62.51 C ATOM 968 OG SER A 62 -4.815 -12.965 -8.254 1.00 20.22 O ATOM 0 H SER A 62 -4.196 -11.212 -6.120 1.00 64.43 H new ATOM 0 HA SER A 62 -2.341 -11.964 -8.233 1.00 2.31 H new ATOM 0 HB2 SER A 62 -5.223 -10.942 -8.269 1.00 62.51 H new ATOM 0 HB3 SER A 62 -4.358 -11.538 -9.672 1.00 62.51 H new ATOM 0 HG SER A 62 -4.410 -13.211 -7.396 1.00 20.22 H new ATOM 974 N ALA A 63 -2.635 -9.658 -9.721 1.00 23.45 N ATOM 975 CA ALA A 63 -2.046 -8.452 -10.327 1.00 53.42 C ATOM 976 C ALA A 63 -3.011 -7.249 -10.376 1.00 61.20 C ATOM 977 O ALA A 63 -2.650 -6.141 -9.970 1.00 54.34 O ATOM 978 CB ALA A 63 -1.552 -8.776 -11.732 1.00 60.04 C ATOM 0 H ALA A 63 -3.037 -10.308 -10.396 1.00 23.45 H new ATOM 0 HA ALA A 63 -1.216 -8.154 -9.686 1.00 53.42 H new ATOM 0 HB1 ALA A 63 -1.116 -7.883 -12.180 1.00 60.04 H new ATOM 0 HB2 ALA A 63 -0.797 -9.561 -11.680 1.00 60.04 H new ATOM 0 HB3 ALA A 63 -2.388 -9.116 -12.342 1.00 60.04 H new ATOM 984 N ALA A 64 -4.226 -7.467 -10.886 1.00 52.54 N ATOM 985 CA ALA A 64 -5.207 -6.382 -11.085 1.00 40.32 C ATOM 986 C ALA A 64 -5.385 -5.511 -9.831 1.00 1.45 C ATOM 987 O ALA A 64 -5.139 -4.301 -9.857 1.00 51.34 O ATOM 988 CB ALA A 64 -6.552 -6.958 -11.515 1.00 64.34 C ATOM 0 H ALA A 64 -4.561 -8.387 -11.172 1.00 52.54 H new ATOM 0 HA ALA A 64 -4.815 -5.739 -11.873 1.00 40.32 H new ATOM 0 HB1 ALA A 64 -7.266 -6.147 -11.658 1.00 64.34 H new ATOM 0 HB2 ALA A 64 -6.431 -7.505 -12.450 1.00 64.34 H new ATOM 0 HB3 ALA A 64 -6.921 -7.635 -10.744 1.00 64.34 H new ATOM 994 N LYS A 65 -5.773 -6.142 -8.723 1.00 20.34 N ATOM 995 CA LYS A 65 -6.026 -5.424 -7.467 1.00 14.21 C ATOM 996 C LYS A 65 -4.746 -4.800 -6.873 1.00 1.02 C ATOM 997 O LYS A 65 -4.784 -4.201 -5.793 1.00 42.15 O ATOM 998 CB LYS A 65 -6.714 -6.361 -6.451 1.00 24.23 C ATOM 999 CG LYS A 65 -5.921 -7.623 -6.070 1.00 14.02 C ATOM 1000 CD LYS A 65 -4.802 -7.364 -5.048 1.00 30.24 C ATOM 1001 CE LYS A 65 -5.334 -6.952 -3.669 1.00 34.11 C ATOM 1002 NZ LYS A 65 -6.041 -5.638 -3.689 1.00 50.21 N ATOM 0 H LYS A 65 -5.920 -7.150 -8.666 1.00 20.34 H new ATOM 0 HA LYS A 65 -6.694 -4.593 -7.693 1.00 14.21 H new ATOM 0 HB2 LYS A 65 -6.920 -5.795 -5.543 1.00 24.23 H new ATOM 0 HB3 LYS A 65 -7.676 -6.668 -6.860 1.00 24.23 H new ATOM 0 HG2 LYS A 65 -6.609 -8.364 -5.663 1.00 14.02 H new ATOM 0 HG3 LYS A 65 -5.485 -8.054 -6.972 1.00 14.02 H new ATOM 0 HD2 LYS A 65 -4.197 -8.265 -4.944 1.00 30.24 H new ATOM 0 HD3 LYS A 65 -4.145 -6.581 -5.427 1.00 30.24 H new ATOM 0 HE2 LYS A 65 -6.016 -7.720 -3.304 1.00 34.11 H new ATOM 0 HE3 LYS A 65 -4.504 -6.902 -2.965 1.00 34.11 H new ATOM 0 HZ1 LYS A 65 -5.904 -5.156 -2.778 1.00 50.21 H new ATOM 0 HZ2 LYS A 65 -5.656 -5.048 -4.454 1.00 50.21 H new ATOM 0 HZ3 LYS A 65 -7.057 -5.793 -3.849 1.00 50.21 H new ATOM 1016 N CYS A 66 -3.616 -4.985 -7.558 1.00 43.03 N ATOM 1017 CA CYS A 66 -2.347 -4.337 -7.191 1.00 44.40 C ATOM 1018 C CYS A 66 -2.047 -3.147 -8.119 1.00 71.35 C ATOM 1019 O CYS A 66 -1.425 -2.161 -7.710 1.00 31.41 O ATOM 1020 CB CYS A 66 -1.192 -5.346 -7.260 1.00 30.50 C ATOM 1021 SG CYS A 66 0.442 -4.632 -6.943 1.00 34.15 S ATOM 0 H CYS A 66 -3.550 -5.585 -8.380 1.00 43.03 H new ATOM 0 HA CYS A 66 -2.444 -3.968 -6.170 1.00 44.40 H new ATOM 0 HB2 CYS A 66 -1.375 -6.140 -6.536 1.00 30.50 H new ATOM 0 HB3 CYS A 66 -1.188 -5.809 -8.247 1.00 30.50 H new ATOM 0 HG CYS A 66 0.399 -3.347 -7.136 1.00 34.15 H new ATOM 1027 N GLN A 67 -2.494 -3.242 -9.372 1.00 5.55 N ATOM 1028 CA GLN A 67 -2.271 -2.175 -10.356 1.00 23.35 C ATOM 1029 C GLN A 67 -3.152 -0.947 -10.073 1.00 21.10 C ATOM 1030 O GLN A 67 -2.666 0.185 -10.098 1.00 42.44 O ATOM 1031 CB GLN A 67 -2.515 -2.689 -11.781 1.00 51.44 C ATOM 1032 CG GLN A 67 -1.510 -3.746 -12.241 1.00 30.23 C ATOM 1033 CD GLN A 67 -1.623 -4.062 -13.725 1.00 31.40 C ATOM 1034 OE1 GLN A 67 -2.006 -3.213 -14.525 1.00 62.31 O ATOM 1035 NE2 GLN A 67 -1.269 -5.271 -14.111 1.00 14.34 N ATOM 0 H GLN A 67 -3.012 -4.044 -9.732 1.00 5.55 H new ATOM 0 HA GLN A 67 -1.230 -1.865 -10.268 1.00 23.35 H new ATOM 0 HB2 GLN A 67 -3.520 -3.108 -11.838 1.00 51.44 H new ATOM 0 HB3 GLN A 67 -2.482 -1.846 -12.471 1.00 51.44 H new ATOM 0 HG2 GLN A 67 -0.500 -3.399 -12.024 1.00 30.23 H new ATOM 0 HG3 GLN A 67 -1.663 -4.660 -11.667 1.00 30.23 H new ATOM 0 HE21 GLN A 67 -0.955 -5.955 -13.422 1.00 14.34 H new ATOM 0 HE22 GLN A 67 -1.309 -5.523 -15.099 1.00 14.34 H new ATOM 1044 N GLU A 68 -4.443 -1.169 -9.812 1.00 52.30 N ATOM 1045 CA GLU A 68 -5.349 -0.071 -9.426 1.00 73.43 C ATOM 1046 C GLU A 68 -4.869 0.623 -8.138 1.00 33.34 C ATOM 1047 O GLU A 68 -5.003 1.839 -7.984 1.00 11.31 O ATOM 1048 CB GLU A 68 -6.791 -0.581 -9.250 1.00 32.44 C ATOM 1049 CG GLU A 68 -7.553 -0.795 -10.562 1.00 25.44 C ATOM 1050 CD GLU A 68 -7.022 -1.951 -11.403 1.00 11.21 C ATOM 1051 OE1 GLU A 68 -6.058 -1.743 -12.177 1.00 34.30 O ATOM 1052 OE2 GLU A 68 -7.577 -3.066 -11.304 1.00 21.11 O ATOM 0 H GLU A 68 -4.886 -2.087 -9.859 1.00 52.30 H new ATOM 0 HA GLU A 68 -5.337 0.661 -10.233 1.00 73.43 H new ATOM 0 HB2 GLU A 68 -6.766 -1.523 -8.701 1.00 32.44 H new ATOM 0 HB3 GLU A 68 -7.343 0.131 -8.636 1.00 32.44 H new ATOM 0 HG2 GLU A 68 -8.604 -0.976 -10.335 1.00 25.44 H new ATOM 0 HG3 GLU A 68 -7.507 0.121 -11.151 1.00 25.44 H new ATOM 1059 N PHE A 69 -4.306 -0.155 -7.216 1.00 45.13 N ATOM 1060 CA PHE A 69 -3.732 0.398 -5.985 1.00 10.03 C ATOM 1061 C PHE A 69 -2.502 1.267 -6.301 1.00 31.02 C ATOM 1062 O PHE A 69 -2.404 2.418 -5.866 1.00 43.52 O ATOM 1063 CB PHE A 69 -3.350 -0.736 -5.022 1.00 43.34 C ATOM 1064 CG PHE A 69 -2.787 -0.260 -3.704 1.00 3.21 C ATOM 1065 CD1 PHE A 69 -3.629 0.202 -2.701 1.00 40.51 C ATOM 1066 CD2 PHE A 69 -1.418 -0.272 -3.467 1.00 12.15 C ATOM 1067 CE1 PHE A 69 -3.119 0.638 -1.492 1.00 35.11 C ATOM 1068 CE2 PHE A 69 -0.905 0.164 -2.261 1.00 52.41 C ATOM 1069 CZ PHE A 69 -1.755 0.621 -1.273 1.00 12.51 C ATOM 0 H PHE A 69 -4.234 -1.169 -7.295 1.00 45.13 H new ATOM 0 HA PHE A 69 -4.483 1.028 -5.507 1.00 10.03 H new ATOM 0 HB2 PHE A 69 -4.232 -1.347 -4.829 1.00 43.34 H new ATOM 0 HB3 PHE A 69 -2.616 -1.379 -5.508 1.00 43.34 H new ATOM 0 HD1 PHE A 69 -4.696 0.221 -2.867 1.00 40.51 H new ATOM 0 HD2 PHE A 69 -0.747 -0.627 -4.235 1.00 12.15 H new ATOM 0 HE1 PHE A 69 -3.786 0.991 -0.720 1.00 35.11 H new ATOM 0 HE2 PHE A 69 0.161 0.148 -2.090 1.00 52.41 H new ATOM 0 HZ PHE A 69 -1.354 0.964 -0.331 1.00 12.51 H new ATOM 1079 N GLY A 70 -1.575 0.703 -7.076 1.00 44.24 N ATOM 1080 CA GLY A 70 -0.384 1.435 -7.489 1.00 25.14 C ATOM 1081 C GLY A 70 -0.708 2.696 -8.286 1.00 61.12 C ATOM 1082 O GLY A 70 0.005 3.695 -8.192 1.00 60.23 O ATOM 0 H GLY A 70 -1.628 -0.253 -7.427 1.00 44.24 H new ATOM 0 HA2 GLY A 70 0.193 1.708 -6.605 1.00 25.14 H new ATOM 0 HA3 GLY A 70 0.247 0.782 -8.092 1.00 25.14 H new ATOM 1086 N ARG A 71 -1.788 2.643 -9.073 1.00 72.23 N ATOM 1087 CA ARG A 71 -2.259 3.799 -9.855 1.00 10.15 C ATOM 1088 C ARG A 71 -2.433 5.023 -8.937 1.00 5.32 C ATOM 1089 O ARG A 71 -1.890 6.098 -9.197 1.00 64.42 O ATOM 1090 CB ARG A 71 -3.599 3.440 -10.542 1.00 55.14 C ATOM 1091 CG ARG A 71 -3.874 4.137 -11.884 1.00 43.41 C ATOM 1092 CD ARG A 71 -4.051 5.652 -11.765 1.00 42.42 C ATOM 1093 NE ARG A 71 -2.777 6.371 -11.811 1.00 4.24 N ATOM 1094 CZ ARG A 71 -2.657 7.624 -12.155 1.00 32.31 C ATOM 1095 NH1 ARG A 71 -3.700 8.325 -12.470 1.00 52.42 N ATOM 1096 NH2 ARG A 71 -1.490 8.176 -12.193 1.00 20.45 N ATOM 0 H ARG A 71 -2.359 1.806 -9.188 1.00 72.23 H new ATOM 0 HA ARG A 71 -1.522 4.047 -10.619 1.00 10.15 H new ATOM 0 HB2 ARG A 71 -3.625 2.362 -10.703 1.00 55.14 H new ATOM 0 HB3 ARG A 71 -4.412 3.680 -9.857 1.00 55.14 H new ATOM 0 HG2 ARG A 71 -3.050 3.929 -12.567 1.00 43.41 H new ATOM 0 HG3 ARG A 71 -4.773 3.709 -12.328 1.00 43.41 H new ATOM 0 HD2 ARG A 71 -4.692 6.004 -12.573 1.00 42.42 H new ATOM 0 HD3 ARG A 71 -4.561 5.883 -10.830 1.00 42.42 H new ATOM 0 HE ARG A 71 -1.930 5.861 -11.559 1.00 4.24 H new ATOM 0 HH11 ARG A 71 -4.626 7.898 -12.451 1.00 52.42 H new ATOM 0 HH12 ARG A 71 -3.595 9.304 -12.737 1.00 52.42 H new ATOM 0 HH21 ARG A 71 -0.661 7.632 -11.954 1.00 20.45 H new ATOM 0 HH22 ARG A 71 -1.398 9.156 -12.462 1.00 20.45 H new ATOM 1110 N TRP A 72 -3.187 4.828 -7.859 1.00 65.43 N ATOM 1111 CA TRP A 72 -3.382 5.854 -6.831 1.00 0.12 C ATOM 1112 C TRP A 72 -2.044 6.260 -6.185 1.00 31.45 C ATOM 1113 O TRP A 72 -1.691 7.439 -6.146 1.00 62.24 O ATOM 1114 CB TRP A 72 -4.359 5.315 -5.768 1.00 72.14 C ATOM 1115 CG TRP A 72 -4.410 6.118 -4.495 1.00 74.54 C ATOM 1116 CD1 TRP A 72 -5.012 7.329 -4.303 1.00 72.50 C ATOM 1117 CD2 TRP A 72 -3.843 5.745 -3.232 1.00 2.40 C ATOM 1118 NE1 TRP A 72 -4.845 7.735 -3.000 1.00 22.01 N ATOM 1119 CE2 TRP A 72 -4.135 6.778 -2.324 1.00 71.00 C ATOM 1120 CE3 TRP A 72 -3.117 4.635 -2.783 1.00 24.42 C ATOM 1121 CZ2 TRP A 72 -3.724 6.736 -0.992 1.00 73.34 C ATOM 1122 CZ3 TRP A 72 -2.711 4.595 -1.462 1.00 22.23 C ATOM 1123 CH2 TRP A 72 -3.017 5.640 -0.581 1.00 2.15 C ATOM 0 H TRP A 72 -3.681 3.956 -7.671 1.00 65.43 H new ATOM 0 HA TRP A 72 -3.800 6.748 -7.294 1.00 0.12 H new ATOM 0 HB2 TRP A 72 -5.360 5.279 -6.199 1.00 72.14 H new ATOM 0 HB3 TRP A 72 -4.080 4.290 -5.524 1.00 72.14 H new ATOM 0 HD1 TRP A 72 -5.541 7.885 -5.063 1.00 72.50 H new ATOM 0 HE1 TRP A 72 -5.193 8.607 -2.601 1.00 22.01 H new ATOM 0 HE3 TRP A 72 -2.879 3.825 -3.456 1.00 24.42 H new ATOM 0 HZ2 TRP A 72 -3.956 7.540 -0.310 1.00 73.34 H new ATOM 0 HZ3 TRP A 72 -2.149 3.745 -1.104 1.00 22.23 H new ATOM 0 HH2 TRP A 72 -2.687 5.579 0.446 1.00 2.15 H new ATOM 1134 N TYR A 73 -1.300 5.266 -5.704 1.00 3.20 N ATOM 1135 CA TYR A 73 -0.039 5.492 -4.981 1.00 12.43 C ATOM 1136 C TYR A 73 0.960 6.366 -5.773 1.00 72.23 C ATOM 1137 O TYR A 73 1.527 7.321 -5.235 1.00 40.23 O ATOM 1138 CB TYR A 73 0.602 4.136 -4.642 1.00 24.45 C ATOM 1139 CG TYR A 73 1.899 4.236 -3.854 1.00 4.33 C ATOM 1140 CD1 TYR A 73 1.885 4.331 -2.465 1.00 23.14 C ATOM 1141 CD2 TYR A 73 3.133 4.234 -4.498 1.00 34.43 C ATOM 1142 CE1 TYR A 73 3.058 4.418 -1.741 1.00 20.52 C ATOM 1143 CE2 TYR A 73 4.312 4.321 -3.781 1.00 33.21 C ATOM 1144 CZ TYR A 73 4.269 4.413 -2.403 1.00 44.21 C ATOM 1145 OH TYR A 73 5.439 4.503 -1.687 1.00 13.22 O ATOM 0 H TYR A 73 -1.549 4.282 -5.801 1.00 3.20 H new ATOM 0 HA TYR A 73 -0.279 6.039 -4.069 1.00 12.43 H new ATOM 0 HB2 TYR A 73 -0.112 3.543 -4.070 1.00 24.45 H new ATOM 0 HB3 TYR A 73 0.795 3.597 -5.569 1.00 24.45 H new ATOM 0 HD1 TYR A 73 0.939 4.337 -1.944 1.00 23.14 H new ATOM 0 HD2 TYR A 73 3.170 4.163 -5.575 1.00 34.43 H new ATOM 0 HE1 TYR A 73 3.028 4.489 -0.664 1.00 20.52 H new ATOM 0 HE2 TYR A 73 5.262 4.317 -4.295 1.00 33.21 H new ATOM 0 HH TYR A 73 6.200 4.517 -2.304 1.00 13.22 H new ATOM 1155 N LYS A 74 1.166 6.033 -7.047 1.00 34.23 N ATOM 1156 CA LYS A 74 2.158 6.722 -7.886 1.00 12.01 C ATOM 1157 C LYS A 74 1.861 8.227 -8.042 1.00 60.25 C ATOM 1158 O LYS A 74 2.777 9.026 -8.254 1.00 72.50 O ATOM 1159 CB LYS A 74 2.236 6.050 -9.265 1.00 4.11 C ATOM 1160 CG LYS A 74 2.814 4.633 -9.220 1.00 61.21 C ATOM 1161 CD LYS A 74 2.785 3.941 -10.584 1.00 72.32 C ATOM 1162 CE LYS A 74 1.360 3.700 -11.073 1.00 43.34 C ATOM 1163 NZ LYS A 74 1.325 2.909 -12.333 1.00 15.32 N ATOM 0 H LYS A 74 0.659 5.288 -7.526 1.00 34.23 H new ATOM 0 HA LYS A 74 3.120 6.639 -7.381 1.00 12.01 H new ATOM 0 HB2 LYS A 74 1.237 6.013 -9.700 1.00 4.11 H new ATOM 0 HB3 LYS A 74 2.849 6.663 -9.926 1.00 4.11 H new ATOM 0 HG2 LYS A 74 3.842 4.675 -8.860 1.00 61.21 H new ATOM 0 HG3 LYS A 74 2.250 4.037 -8.503 1.00 61.21 H new ATOM 0 HD2 LYS A 74 3.319 4.552 -11.312 1.00 72.32 H new ATOM 0 HD3 LYS A 74 3.312 2.989 -10.519 1.00 72.32 H new ATOM 0 HE2 LYS A 74 0.796 3.176 -10.301 1.00 43.34 H new ATOM 0 HE3 LYS A 74 0.866 4.658 -11.233 1.00 43.34 H new ATOM 0 HZ1 LYS A 74 0.338 2.770 -12.628 1.00 15.32 H new ATOM 0 HZ2 LYS A 74 1.840 3.420 -13.078 1.00 15.32 H new ATOM 0 HZ3 LYS A 74 1.773 1.984 -12.175 1.00 15.32 H new ATOM 1177 N HIS A 75 0.587 8.610 -7.943 1.00 3.41 N ATOM 1178 CA HIS A 75 0.196 10.024 -8.041 1.00 12.10 C ATOM 1179 C HIS A 75 -0.051 10.644 -6.652 1.00 52.13 C ATOM 1180 O HIS A 75 0.101 11.854 -6.470 1.00 64.40 O ATOM 1181 CB HIS A 75 -1.061 10.170 -8.910 1.00 31.42 C ATOM 1182 CG HIS A 75 -1.570 11.579 -8.995 1.00 44.14 C ATOM 1183 ND1 HIS A 75 -2.618 12.042 -8.232 1.00 74.41 N ATOM 1184 CD2 HIS A 75 -1.161 12.633 -9.741 1.00 63.12 C ATOM 1185 CE1 HIS A 75 -2.833 13.311 -8.501 1.00 71.40 C ATOM 1186 NE2 HIS A 75 -1.963 13.697 -9.412 1.00 12.53 N ATOM 0 H HIS A 75 -0.191 7.967 -7.796 1.00 3.41 H new ATOM 0 HA HIS A 75 1.022 10.562 -8.506 1.00 12.10 H new ATOM 0 HB2 HIS A 75 -0.842 9.810 -9.915 1.00 31.42 H new ATOM 0 HB3 HIS A 75 -1.847 9.532 -8.507 1.00 31.42 H new ATOM 0 HD2 HIS A 75 -0.355 12.636 -10.460 1.00 63.12 H new ATOM 0 HE1 HIS A 75 -3.594 13.932 -8.051 1.00 71.40 H new ATOM 0 HE2 HIS A 75 -1.896 14.634 -9.808 1.00 12.53 H new ATOM 1195 N PHE A 76 -0.418 9.808 -5.684 1.00 73.33 N ATOM 1196 CA PHE A 76 -0.778 10.262 -4.330 1.00 65.22 C ATOM 1197 C PHE A 76 0.314 11.138 -3.685 1.00 2.11 C ATOM 1198 O PHE A 76 0.022 12.179 -3.097 1.00 24.23 O ATOM 1199 CB PHE A 76 -1.067 9.046 -3.437 1.00 74.24 C ATOM 1200 CG PHE A 76 -1.355 9.399 -1.999 1.00 54.03 C ATOM 1201 CD1 PHE A 76 -2.501 10.105 -1.659 1.00 74.24 C ATOM 1202 CD2 PHE A 76 -0.481 9.022 -0.990 1.00 23.25 C ATOM 1203 CE1 PHE A 76 -2.767 10.424 -0.343 1.00 42.41 C ATOM 1204 CE2 PHE A 76 -0.745 9.340 0.327 1.00 3.41 C ATOM 1205 CZ PHE A 76 -1.888 10.042 0.650 1.00 44.32 C ATOM 0 H PHE A 76 -0.476 8.797 -5.809 1.00 73.33 H new ATOM 0 HA PHE A 76 -1.670 10.882 -4.424 1.00 65.22 H new ATOM 0 HB2 PHE A 76 -1.919 8.502 -3.845 1.00 74.24 H new ATOM 0 HB3 PHE A 76 -0.212 8.371 -3.471 1.00 74.24 H new ATOM 0 HD1 PHE A 76 -3.191 10.408 -2.432 1.00 74.24 H new ATOM 0 HD2 PHE A 76 0.416 8.474 -1.238 1.00 23.25 H new ATOM 0 HE1 PHE A 76 -3.663 10.972 -0.090 1.00 42.41 H new ATOM 0 HE2 PHE A 76 -0.058 9.040 1.104 1.00 3.41 H new ATOM 0 HZ PHE A 76 -2.095 10.293 1.680 1.00 44.32 H new ATOM 1215 N LYS A 77 1.570 10.715 -3.799 1.00 11.34 N ATOM 1216 CA LYS A 77 2.693 11.455 -3.200 1.00 0.24 C ATOM 1217 C LYS A 77 3.036 12.744 -3.976 1.00 53.21 C ATOM 1218 O LYS A 77 3.904 13.506 -3.551 1.00 64.33 O ATOM 1219 CB LYS A 77 3.942 10.560 -3.126 1.00 34.31 C ATOM 1220 CG LYS A 77 3.839 9.415 -2.121 1.00 2.21 C ATOM 1221 CD LYS A 77 5.127 8.594 -2.082 1.00 55.41 C ATOM 1222 CE LYS A 77 5.122 7.569 -0.956 1.00 64.22 C ATOM 1223 NZ LYS A 77 6.372 6.767 -0.931 1.00 0.43 N ATOM 0 H LYS A 77 1.842 9.868 -4.297 1.00 11.34 H new ATOM 0 HA LYS A 77 2.377 11.745 -2.198 1.00 0.24 H new ATOM 0 HB2 LYS A 77 4.134 10.143 -4.115 1.00 34.31 H new ATOM 0 HB3 LYS A 77 4.802 11.178 -2.868 1.00 34.31 H new ATOM 0 HG2 LYS A 77 3.631 9.816 -1.129 1.00 2.21 H new ATOM 0 HG3 LYS A 77 3.002 8.770 -2.386 1.00 2.21 H new ATOM 0 HD2 LYS A 77 5.259 8.083 -3.036 1.00 55.41 H new ATOM 0 HD3 LYS A 77 5.979 9.263 -1.958 1.00 55.41 H new ATOM 0 HE2 LYS A 77 4.999 8.080 -0.001 1.00 64.22 H new ATOM 0 HE3 LYS A 77 4.266 6.904 -1.074 1.00 64.22 H new ATOM 0 HZ1 LYS A 77 6.145 5.765 -1.092 1.00 0.43 H new ATOM 0 HZ2 LYS A 77 7.014 7.101 -1.678 1.00 0.43 H new ATOM 0 HZ3 LYS A 77 6.834 6.873 -0.005 1.00 0.43 H new ATOM 1237 N LYS A 78 2.357 12.984 -5.104 1.00 72.23 N ATOM 1238 CA LYS A 78 2.694 14.105 -5.999 1.00 14.50 C ATOM 1239 C LYS A 78 4.189 14.060 -6.377 1.00 51.53 C ATOM 1240 O LYS A 78 4.835 15.084 -6.603 1.00 33.33 O ATOM 1241 CB LYS A 78 2.333 15.449 -5.337 1.00 65.14 C ATOM 1242 CG LYS A 78 2.358 16.638 -6.298 1.00 20.40 C ATOM 1243 CD LYS A 78 2.048 17.957 -5.595 1.00 4.24 C ATOM 1244 CE LYS A 78 3.099 18.310 -4.546 1.00 43.04 C ATOM 1245 NZ LYS A 78 2.813 19.610 -3.885 1.00 42.32 N ATOM 0 H LYS A 78 1.570 12.418 -5.422 1.00 72.23 H new ATOM 0 HA LYS A 78 2.109 14.010 -6.914 1.00 14.50 H new ATOM 0 HB2 LYS A 78 1.339 15.371 -4.897 1.00 65.14 H new ATOM 0 HB3 LYS A 78 3.029 15.639 -4.520 1.00 65.14 H new ATOM 0 HG2 LYS A 78 3.339 16.701 -6.769 1.00 20.40 H new ATOM 0 HG3 LYS A 78 1.632 16.474 -7.095 1.00 20.40 H new ATOM 0 HD2 LYS A 78 1.991 18.756 -6.334 1.00 4.24 H new ATOM 0 HD3 LYS A 78 1.069 17.892 -5.119 1.00 4.24 H new ATOM 0 HE2 LYS A 78 3.139 17.522 -3.794 1.00 43.04 H new ATOM 0 HE3 LYS A 78 4.081 18.351 -5.017 1.00 43.04 H new ATOM 0 HZ1 LYS A 78 3.551 19.811 -3.180 1.00 42.32 H new ATOM 0 HZ2 LYS A 78 2.800 20.367 -4.598 1.00 42.32 H new ATOM 0 HZ3 LYS A 78 1.887 19.563 -3.413 1.00 42.32 H new