USER MOD reduce.3.24.130724 H: found=0, std=0, add=964, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 968 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 55 LYS NZ :NH3+ -139:sc= 0.613 (180deg=0) USER MOD Set 1.2: B 58 THR OG1 : rot 180:sc= 0.559 USER MOD Set 2.1: B 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: B 60 SER OG : rot 180:sc= -0.0736 USER MOD Set 3.1: B 14 HIS : no HD1:sc= 1.18 K(o=2.4,f=-3.8!) USER MOD Set 3.2: B 17 THR OG1 : rot -83:sc= 1.26 USER MOD Set 4.1: A 40 LYS NZ :NH3+ -179:sc= 0.639 (180deg=-0.367) USER MOD Set 4.2: A 60 SER OG : rot 180:sc= 0.86 USER MOD Set 4.3: A 61 ASN : amide:sc= 0.672 K(o=2.2,f=-1) USER MOD Set 5.1: A 14 HIS : no HD1:sc= 1.07 K(o=0.95,f=-6.1!) USER MOD Set 5.2: A 30 ASN :FLIP amide:sc= -0.117 F(o=-0.11,f=0.95) USER MOD Set 6.1: A 21 ASN : amide:sc= -1.1! K(o=-0.85!,f=-6.5) USER MOD Set 6.2: A 27 LYS NZ :NH3+ -142:sc= 0.257 (180deg=-2.31!) USER MOD Single : A 8 THR OG1 : rot 36:sc= 0.208 USER MOD Single : A 17 THR OG1 : rot -61:sc= 1.28 USER MOD Single : A 19 SER OG : rot 180:sc= -0.171 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 112:sc= 1.12 USER MOD Single : A 35 ASN : amide:sc= -0.0309 K(o=-0.031,f=-1.7) USER MOD Single : A 47 SER OG : rot 76:sc= 0.174 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 GLN :FLIP amide:sc= -0.499 F(o=-2.1,f=-0.5) USER MOD Single : A 66 THR OG1 : rot 79:sc= 1.27 USER MOD Single : A 67 MET CE :methyl -173:sc= -1.42 (180deg=-1.57) USER MOD Single : A 72 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0747) USER MOD Single : A 74 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : B 8 THR OG1 : rot -21:sc= -0.604 USER MOD Single : B 19 SER OG : rot 180:sc= 0 USER MOD Single : B 21 ASN : amide:sc= -0.0124 X(o=-0.012,f=0) USER MOD Single : B 23 LYS NZ :NH3+ -166:sc= -0.0374 (180deg=-0.337) USER MOD Single : B 26 THR OG1 : rot 141:sc= 0.339 USER MOD Single : B 27 LYS NZ :NH3+ -143:sc= 1.78 (180deg=1.36) USER MOD Single : B 30 ASN : amide:sc= -2.39! C(o=-2.4!,f=-7.8!) USER MOD Single : B 33 SER OG : rot -109:sc= 1.25 USER MOD Single : B 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 47 SER OG : rot -107:sc= 1.92 USER MOD Single : B 55 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0506) USER MOD Single : B 61 ASN : amide:sc= 0.147! X(o=0.15!,f=-0.1) USER MOD Single : B 65 GLN : amide:sc= 0.452 K(o=0.45,f=-0.081) USER MOD Single : B 66 THR OG1 : rot 68:sc= 0.751 USER MOD Single : B 67 MET CE :methyl -170:sc= 0 (180deg=-0.155) USER MOD Single : B 72 LYS NZ :NH3+ -125:sc= 0.705 (180deg=-1.56!) USER MOD Single : B 74 ASN : amide:sc= -0.619 K(o=-0.62,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 126 N THR A 8 12.652 9.585 -16.688 1.00 0.00 N ATOM 127 CA THR A 8 13.725 8.870 -16.023 1.00 0.00 C ATOM 128 C THR A 8 13.342 8.573 -14.579 1.00 0.00 C ATOM 129 O THR A 8 13.094 9.485 -13.794 1.00 0.00 O ATOM 130 CB THR A 8 15.027 9.692 -16.058 1.00 0.00 C ATOM 131 OG1 THR A 8 15.294 10.109 -17.405 1.00 0.00 O ATOM 132 CG2 THR A 8 16.202 8.881 -15.536 1.00 0.00 C ATOM 0 HA THR A 8 13.890 7.930 -16.551 1.00 0.00 H new ATOM 0 HB THR A 8 14.900 10.563 -15.416 1.00 0.00 H new ATOM 0 HG1 THR A 8 14.449 10.303 -17.861 1.00 0.00 H new ATOM 0 HG21 THR A 8 17.107 9.487 -15.573 1.00 0.00 H new ATOM 0 HG22 THR A 8 16.008 8.581 -14.506 1.00 0.00 H new ATOM 0 HG23 THR A 8 16.335 7.993 -16.154 1.00 0.00 H new ATOM 140 N PHE A 9 13.285 7.298 -14.237 1.00 0.00 N ATOM 141 CA PHE A 9 12.900 6.890 -12.897 1.00 0.00 C ATOM 142 C PHE A 9 14.072 6.235 -12.180 1.00 0.00 C ATOM 143 O PHE A 9 14.823 5.456 -12.772 1.00 0.00 O ATOM 144 CB PHE A 9 11.688 5.944 -12.939 1.00 0.00 C ATOM 145 CG PHE A 9 11.873 4.729 -13.812 1.00 0.00 C ATOM 146 CD1 PHE A 9 11.633 4.797 -15.175 1.00 0.00 C ATOM 147 CD2 PHE A 9 12.282 3.522 -13.269 1.00 0.00 C ATOM 148 CE1 PHE A 9 11.798 3.686 -15.979 1.00 0.00 C ATOM 149 CE2 PHE A 9 12.447 2.407 -14.068 1.00 0.00 C ATOM 150 CZ PHE A 9 12.207 2.490 -15.425 1.00 0.00 C ATOM 0 H PHE A 9 13.500 6.527 -14.869 1.00 0.00 H new ATOM 0 HA PHE A 9 12.612 7.781 -12.339 1.00 0.00 H new ATOM 0 HB2 PHE A 9 11.464 5.616 -11.924 1.00 0.00 H new ATOM 0 HB3 PHE A 9 10.820 6.501 -13.293 1.00 0.00 H new ATOM 0 HD1 PHE A 9 11.313 5.730 -15.614 1.00 0.00 H new ATOM 0 HD2 PHE A 9 12.474 3.452 -12.209 1.00 0.00 H new ATOM 0 HE1 PHE A 9 11.607 3.753 -17.040 1.00 0.00 H new ATOM 0 HE2 PHE A 9 12.763 1.471 -13.631 1.00 0.00 H new ATOM 0 HZ PHE A 9 12.339 1.621 -16.052 1.00 0.00 H new ATOM 160 N GLU A 10 14.242 6.578 -10.913 1.00 0.00 N ATOM 161 CA GLU A 10 15.322 6.032 -10.108 1.00 0.00 C ATOM 162 C GLU A 10 14.857 5.841 -8.669 1.00 0.00 C ATOM 163 O GLU A 10 14.112 6.667 -8.134 1.00 0.00 O ATOM 164 CB GLU A 10 16.539 6.963 -10.158 1.00 0.00 C ATOM 165 CG GLU A 10 17.742 6.454 -9.377 1.00 0.00 C ATOM 166 CD GLU A 10 18.239 5.115 -9.877 1.00 0.00 C ATOM 167 OE1 GLU A 10 17.687 4.074 -9.458 1.00 0.00 O ATOM 168 OE2 GLU A 10 19.180 5.092 -10.701 1.00 0.00 O ATOM 0 H GLU A 10 13.641 7.237 -10.418 1.00 0.00 H new ATOM 0 HA GLU A 10 15.610 5.062 -10.513 1.00 0.00 H new ATOM 0 HB2 GLU A 10 16.830 7.108 -11.198 1.00 0.00 H new ATOM 0 HB3 GLU A 10 16.252 7.940 -9.768 1.00 0.00 H new ATOM 0 HG2 GLU A 10 18.549 7.184 -9.444 1.00 0.00 H new ATOM 0 HG3 GLU A 10 17.476 6.368 -8.323 1.00 0.00 H new ATOM 175 N ILE A 11 15.283 4.748 -8.052 1.00 0.00 N ATOM 176 CA ILE A 11 14.937 4.468 -6.671 1.00 0.00 C ATOM 177 C ILE A 11 15.871 5.240 -5.747 1.00 0.00 C ATOM 178 O ILE A 11 17.082 5.009 -5.736 1.00 0.00 O ATOM 179 CB ILE A 11 15.023 2.959 -6.351 1.00 0.00 C ATOM 180 CG1 ILE A 11 14.152 2.157 -7.327 1.00 0.00 C ATOM 181 CG2 ILE A 11 14.594 2.700 -4.912 1.00 0.00 C ATOM 182 CD1 ILE A 11 14.225 0.657 -7.120 1.00 0.00 C ATOM 0 H ILE A 11 15.871 4.039 -8.491 1.00 0.00 H new ATOM 0 HA ILE A 11 13.905 4.783 -6.514 1.00 0.00 H new ATOM 0 HB ILE A 11 16.057 2.634 -6.467 1.00 0.00 H new ATOM 0 HG12 ILE A 11 13.116 2.479 -7.224 1.00 0.00 H new ATOM 0 HG13 ILE A 11 14.458 2.389 -8.347 1.00 0.00 H new ATOM 0 HG21 ILE A 11 14.659 1.633 -4.699 1.00 0.00 H new ATOM 0 HG22 ILE A 11 15.249 3.246 -4.233 1.00 0.00 H new ATOM 0 HG23 ILE A 11 13.566 3.036 -4.773 1.00 0.00 H new ATOM 0 HD11 ILE A 11 13.583 0.158 -7.846 1.00 0.00 H new ATOM 0 HD12 ILE A 11 15.253 0.321 -7.253 1.00 0.00 H new ATOM 0 HD13 ILE A 11 13.891 0.412 -6.112 1.00 0.00 H new ATOM 194 N GLU A 12 15.307 6.173 -5.000 1.00 0.00 N ATOM 195 CA GLU A 12 16.090 7.027 -4.120 1.00 0.00 C ATOM 196 C GLU A 12 16.202 6.426 -2.729 1.00 0.00 C ATOM 197 O GLU A 12 17.298 6.264 -2.191 1.00 0.00 O ATOM 198 CB GLU A 12 15.455 8.417 -4.036 1.00 0.00 C ATOM 199 CG GLU A 12 15.620 9.239 -5.301 1.00 0.00 C ATOM 200 CD GLU A 12 17.062 9.625 -5.551 1.00 0.00 C ATOM 201 OE1 GLU A 12 17.553 10.555 -4.878 1.00 0.00 O ATOM 202 OE2 GLU A 12 17.709 9.003 -6.418 1.00 0.00 O ATOM 0 H GLU A 12 14.304 6.360 -4.985 1.00 0.00 H new ATOM 0 HA GLU A 12 17.093 7.112 -4.537 1.00 0.00 H new ATOM 0 HB2 GLU A 12 14.392 8.309 -3.819 1.00 0.00 H new ATOM 0 HB3 GLU A 12 15.897 8.959 -3.200 1.00 0.00 H new ATOM 0 HG2 GLU A 12 15.245 8.671 -6.152 1.00 0.00 H new ATOM 0 HG3 GLU A 12 15.012 10.141 -5.228 1.00 0.00 H new ATOM 209 N GLU A 13 15.065 6.080 -2.152 1.00 0.00 N ATOM 210 CA GLU A 13 15.029 5.608 -0.781 1.00 0.00 C ATOM 211 C GLU A 13 14.301 4.277 -0.698 1.00 0.00 C ATOM 212 O GLU A 13 13.340 4.041 -1.425 1.00 0.00 O ATOM 213 CB GLU A 13 14.338 6.651 0.099 1.00 0.00 C ATOM 214 CG GLU A 13 14.394 6.351 1.586 1.00 0.00 C ATOM 215 CD GLU A 13 13.722 7.431 2.406 1.00 0.00 C ATOM 216 OE1 GLU A 13 13.823 8.615 2.020 1.00 0.00 O ATOM 217 OE2 GLU A 13 13.082 7.104 3.424 1.00 0.00 O ATOM 0 H GLU A 13 14.155 6.117 -2.612 1.00 0.00 H new ATOM 0 HA GLU A 13 16.049 5.460 -0.426 1.00 0.00 H new ATOM 0 HB2 GLU A 13 14.798 7.623 -0.081 1.00 0.00 H new ATOM 0 HB3 GLU A 13 13.294 6.731 -0.204 1.00 0.00 H new ATOM 0 HG2 GLU A 13 13.911 5.394 1.781 1.00 0.00 H new ATOM 0 HG3 GLU A 13 15.434 6.253 1.898 1.00 0.00 H new ATOM 224 N HIS A 14 14.770 3.408 0.181 1.00 0.00 N ATOM 225 CA HIS A 14 14.139 2.116 0.388 1.00 0.00 C ATOM 226 C HIS A 14 13.599 2.056 1.810 1.00 0.00 C ATOM 227 O HIS A 14 14.366 2.133 2.766 1.00 0.00 O ATOM 228 CB HIS A 14 15.153 0.992 0.141 1.00 0.00 C ATOM 229 CG HIS A 14 14.533 -0.333 -0.180 1.00 0.00 C ATOM 230 ND1 HIS A 14 14.135 -0.682 -1.454 1.00 0.00 N ATOM 231 CD2 HIS A 14 14.256 -1.404 0.604 1.00 0.00 C ATOM 232 CE1 HIS A 14 13.642 -1.904 -1.437 1.00 0.00 C ATOM 233 NE2 HIS A 14 13.703 -2.365 -0.206 1.00 0.00 N ATOM 0 H HIS A 14 15.589 3.575 0.765 1.00 0.00 H new ATOM 0 HA HIS A 14 13.315 1.986 -0.314 1.00 0.00 H new ATOM 0 HB2 HIS A 14 15.808 1.283 -0.680 1.00 0.00 H new ATOM 0 HB3 HIS A 14 15.780 0.883 1.026 1.00 0.00 H new ATOM 0 HD2 HIS A 14 14.436 -1.486 1.666 1.00 0.00 H new ATOM 0 HE1 HIS A 14 13.253 -2.438 -2.291 1.00 0.00 H new ATOM 0 HE2 HIS A 14 13.390 -3.287 0.097 1.00 0.00 H new ATOM 242 N LEU A 15 12.284 1.947 1.950 1.00 0.00 N ATOM 243 CA LEU A 15 11.660 1.993 3.267 1.00 0.00 C ATOM 244 C LEU A 15 11.856 0.677 4.013 1.00 0.00 C ATOM 245 O LEU A 15 12.645 0.607 4.953 1.00 0.00 O ATOM 246 CB LEU A 15 10.171 2.331 3.149 1.00 0.00 C ATOM 247 CG LEU A 15 9.863 3.694 2.518 1.00 0.00 C ATOM 248 CD1 LEU A 15 8.364 3.893 2.385 1.00 0.00 C ATOM 249 CD2 LEU A 15 10.468 4.814 3.347 1.00 0.00 C ATOM 0 H LEU A 15 11.633 1.827 1.174 1.00 0.00 H new ATOM 0 HA LEU A 15 12.147 2.781 3.842 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.684 1.556 2.558 1.00 0.00 H new ATOM 0 HB3 LEU A 15 9.727 2.300 4.144 1.00 0.00 H new ATOM 0 HG LEU A 15 10.307 3.718 1.523 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.165 4.866 1.935 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.948 3.109 1.753 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.902 3.848 3.371 1.00 0.00 H new ATOM 0 HD21 LEU A 15 10.239 5.774 2.884 1.00 0.00 H new ATOM 0 HD22 LEU A 15 10.050 4.788 4.354 1.00 0.00 H new ATOM 0 HD23 LEU A 15 11.549 4.685 3.399 1.00 0.00 H new ATOM 261 N LEU A 16 11.157 -0.368 3.585 1.00 0.00 N ATOM 262 CA LEU A 16 11.268 -1.665 4.240 1.00 0.00 C ATOM 263 C LEU A 16 10.833 -2.792 3.316 1.00 0.00 C ATOM 264 O LEU A 16 10.196 -2.561 2.281 1.00 0.00 O ATOM 265 CB LEU A 16 10.423 -1.717 5.525 1.00 0.00 C ATOM 266 CG LEU A 16 8.909 -1.598 5.328 1.00 0.00 C ATOM 267 CD1 LEU A 16 8.172 -2.415 6.380 1.00 0.00 C ATOM 268 CD2 LEU A 16 8.469 -0.146 5.398 1.00 0.00 C ATOM 0 H LEU A 16 10.513 -0.343 2.794 1.00 0.00 H new ATOM 0 HA LEU A 16 12.319 -1.798 4.496 1.00 0.00 H new ATOM 0 HB2 LEU A 16 10.632 -2.656 6.038 1.00 0.00 H new ATOM 0 HB3 LEU A 16 10.749 -0.914 6.186 1.00 0.00 H new ATOM 0 HG LEU A 16 8.664 -1.988 4.340 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.097 -2.320 6.227 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.460 -3.463 6.294 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.431 -2.048 7.373 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.390 -0.085 5.255 1.00 0.00 H new ATOM 0 HD22 LEU A 16 8.730 0.267 6.373 1.00 0.00 H new ATOM 0 HD23 LEU A 16 8.971 0.424 4.616 1.00 0.00 H new ATOM 280 N THR A 17 11.193 -4.004 3.699 1.00 0.00 N ATOM 281 CA THR A 17 10.748 -5.201 3.009 1.00 0.00 C ATOM 282 C THR A 17 9.588 -5.829 3.778 1.00 0.00 C ATOM 283 O THR A 17 9.709 -6.124 4.969 1.00 0.00 O ATOM 284 CB THR A 17 11.897 -6.220 2.882 1.00 0.00 C ATOM 285 OG1 THR A 17 13.068 -5.575 2.362 1.00 0.00 O ATOM 286 CG2 THR A 17 11.510 -7.377 1.971 1.00 0.00 C ATOM 0 H THR A 17 11.802 -4.186 4.497 1.00 0.00 H new ATOM 0 HA THR A 17 10.421 -4.924 2.007 1.00 0.00 H new ATOM 0 HB THR A 17 12.105 -6.617 3.876 1.00 0.00 H new ATOM 0 HG1 THR A 17 12.874 -5.211 1.473 1.00 0.00 H new ATOM 0 HG21 THR A 17 12.341 -8.079 1.901 1.00 0.00 H new ATOM 0 HG22 THR A 17 10.638 -7.887 2.381 1.00 0.00 H new ATOM 0 HG23 THR A 17 11.274 -6.995 0.978 1.00 0.00 H new ATOM 294 N LEU A 18 8.464 -6.019 3.106 1.00 0.00 N ATOM 295 CA LEU A 18 7.282 -6.568 3.748 1.00 0.00 C ATOM 296 C LEU A 18 7.413 -8.077 3.912 1.00 0.00 C ATOM 297 O LEU A 18 7.398 -8.585 5.034 1.00 0.00 O ATOM 298 CB LEU A 18 6.028 -6.221 2.944 1.00 0.00 C ATOM 299 CG LEU A 18 5.719 -4.729 2.839 1.00 0.00 C ATOM 300 CD1 LEU A 18 4.476 -4.504 1.997 1.00 0.00 C ATOM 301 CD2 LEU A 18 5.539 -4.128 4.221 1.00 0.00 C ATOM 0 H LEU A 18 8.346 -5.801 2.117 1.00 0.00 H new ATOM 0 HA LEU A 18 7.190 -6.123 4.739 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.137 -6.626 1.938 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.173 -6.722 3.398 1.00 0.00 H new ATOM 0 HG LEU A 18 6.560 -4.234 2.353 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.269 -3.436 1.932 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.637 -4.904 0.996 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.628 -5.010 2.458 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.319 -3.064 4.129 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.714 -4.626 4.730 1.00 0.00 H new ATOM 0 HD23 LEU A 18 6.454 -4.261 4.798 1.00 0.00 H new ATOM 313 N SER A 19 7.567 -8.787 2.803 1.00 0.00 N ATOM 314 CA SER A 19 7.710 -10.238 2.850 1.00 0.00 C ATOM 315 C SER A 19 8.224 -10.785 1.528 1.00 0.00 C ATOM 316 O SER A 19 8.325 -10.056 0.539 1.00 0.00 O ATOM 317 CB SER A 19 6.373 -10.899 3.197 1.00 0.00 C ATOM 318 OG SER A 19 5.395 -10.651 2.198 1.00 0.00 O ATOM 0 H SER A 19 7.596 -8.387 1.865 1.00 0.00 H new ATOM 0 HA SER A 19 8.438 -10.472 3.627 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.516 -11.974 3.309 1.00 0.00 H new ATOM 0 HB3 SER A 19 6.018 -10.523 4.156 1.00 0.00 H new ATOM 0 HG SER A 19 4.554 -11.087 2.448 1.00 0.00 H new ATOM 324 N GLU A 20 8.551 -12.070 1.521 1.00 0.00 N ATOM 325 CA GLU A 20 8.973 -12.762 0.315 1.00 0.00 C ATOM 326 C GLU A 20 8.050 -13.965 0.107 1.00 0.00 C ATOM 327 O GLU A 20 8.039 -14.894 0.916 1.00 0.00 O ATOM 328 CB GLU A 20 10.448 -13.183 0.457 1.00 0.00 C ATOM 329 CG GLU A 20 11.133 -13.579 -0.845 1.00 0.00 C ATOM 330 CD GLU A 20 10.831 -14.998 -1.273 1.00 0.00 C ATOM 331 OE1 GLU A 20 11.368 -15.938 -0.646 1.00 0.00 O ATOM 332 OE2 GLU A 20 10.076 -15.179 -2.245 1.00 0.00 O ATOM 0 H GLU A 20 8.531 -12.661 2.352 1.00 0.00 H new ATOM 0 HA GLU A 20 8.902 -12.114 -0.559 1.00 0.00 H new ATOM 0 HB2 GLU A 20 11.003 -12.360 0.906 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.505 -14.022 1.150 1.00 0.00 H new ATOM 0 HG2 GLU A 20 10.821 -12.895 -1.634 1.00 0.00 H new ATOM 0 HG3 GLU A 20 12.211 -13.463 -0.730 1.00 0.00 H new ATOM 339 N ASN A 21 7.253 -13.924 -0.953 1.00 0.00 N ATOM 340 CA ASN A 21 6.185 -14.899 -1.155 1.00 0.00 C ATOM 341 C ASN A 21 6.526 -15.902 -2.245 1.00 0.00 C ATOM 342 O ASN A 21 7.193 -15.568 -3.228 1.00 0.00 O ATOM 343 CB ASN A 21 4.876 -14.192 -1.516 1.00 0.00 C ATOM 344 CG ASN A 21 4.292 -13.386 -0.370 1.00 0.00 C ATOM 345 OD1 ASN A 21 3.656 -12.353 -0.589 1.00 0.00 O ATOM 346 ND2 ASN A 21 4.490 -13.852 0.856 1.00 0.00 N ATOM 0 H ASN A 21 7.325 -13.223 -1.690 1.00 0.00 H new ATOM 0 HA ASN A 21 6.069 -15.440 -0.216 1.00 0.00 H new ATOM 0 HB2 ASN A 21 5.051 -13.530 -2.364 1.00 0.00 H new ATOM 0 HB3 ASN A 21 4.146 -14.935 -1.837 1.00 0.00 H new ATOM 0 HD21 ASN A 21 4.110 -13.351 1.659 1.00 0.00 H new ATOM 0 HD22 ASN A 21 5.022 -14.711 0.995 1.00 0.00 H new ATOM 353 N GLU A 22 6.028 -17.128 -2.062 1.00 0.00 N ATOM 354 CA GLU A 22 6.240 -18.228 -2.998 1.00 0.00 C ATOM 355 C GLU A 22 7.726 -18.573 -3.085 1.00 0.00 C ATOM 356 O GLU A 22 8.219 -19.425 -2.342 1.00 0.00 O ATOM 357 CB GLU A 22 5.666 -17.894 -4.387 1.00 0.00 C ATOM 358 CG GLU A 22 5.725 -19.050 -5.371 1.00 0.00 C ATOM 359 CD GLU A 22 5.304 -18.649 -6.771 1.00 0.00 C ATOM 360 OE1 GLU A 22 4.086 -18.640 -7.057 1.00 0.00 O ATOM 361 OE2 GLU A 22 6.191 -18.347 -7.595 1.00 0.00 O ATOM 0 H GLU A 22 5.462 -17.384 -1.253 1.00 0.00 H new ATOM 0 HA GLU A 22 5.707 -19.102 -2.625 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.629 -17.578 -4.274 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.214 -17.048 -4.802 1.00 0.00 H new ATOM 0 HG2 GLU A 22 6.740 -19.445 -5.401 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.080 -19.855 -5.019 1.00 0.00 H new ATOM 368 N LYS A 23 8.429 -17.877 -3.964 1.00 0.00 N ATOM 369 CA LYS A 23 9.862 -18.027 -4.131 1.00 0.00 C ATOM 370 C LYS A 23 10.334 -17.041 -5.186 1.00 0.00 C ATOM 371 O LYS A 23 10.446 -17.375 -6.368 1.00 0.00 O ATOM 372 CB LYS A 23 10.242 -19.458 -4.536 1.00 0.00 C ATOM 373 CG LYS A 23 11.741 -19.715 -4.509 1.00 0.00 C ATOM 374 CD LYS A 23 12.060 -21.135 -4.933 1.00 0.00 C ATOM 375 CE LYS A 23 13.540 -21.444 -4.784 1.00 0.00 C ATOM 376 NZ LYS A 23 13.872 -22.804 -5.281 1.00 0.00 N ATOM 0 H LYS A 23 8.014 -17.185 -4.588 1.00 0.00 H new ATOM 0 HA LYS A 23 10.348 -17.824 -3.177 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.748 -20.161 -3.865 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.865 -19.656 -5.539 1.00 0.00 H new ATOM 0 HG2 LYS A 23 12.245 -19.012 -5.172 1.00 0.00 H new ATOM 0 HG3 LYS A 23 12.125 -19.537 -3.505 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.479 -21.834 -4.331 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.760 -21.282 -5.971 1.00 0.00 H new ATOM 0 HE2 LYS A 23 14.123 -20.704 -5.333 1.00 0.00 H new ATOM 0 HE3 LYS A 23 13.825 -21.361 -3.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 14.890 -22.978 -5.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.335 -23.512 -4.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.623 -22.876 -6.288 1.00 0.00 H new ATOM 390 N GLY A 24 10.549 -15.809 -4.764 1.00 0.00 N ATOM 391 CA GLY A 24 10.985 -14.776 -5.673 1.00 0.00 C ATOM 392 C GLY A 24 10.062 -13.578 -5.658 1.00 0.00 C ATOM 393 O GLY A 24 10.460 -12.483 -6.047 1.00 0.00 O ATOM 0 H GLY A 24 10.428 -15.504 -3.798 1.00 0.00 H new ATOM 0 HA2 GLY A 24 11.993 -14.460 -5.405 1.00 0.00 H new ATOM 0 HA3 GLY A 24 11.036 -15.181 -6.684 1.00 0.00 H new ATOM 397 N TRP A 25 8.831 -13.779 -5.196 1.00 0.00 N ATOM 398 CA TRP A 25 7.859 -12.697 -5.137 1.00 0.00 C ATOM 399 C TRP A 25 8.077 -11.855 -3.891 1.00 0.00 C ATOM 400 O TRP A 25 7.420 -12.052 -2.870 1.00 0.00 O ATOM 401 CB TRP A 25 6.424 -13.230 -5.149 1.00 0.00 C ATOM 402 CG TRP A 25 5.983 -13.771 -6.472 1.00 0.00 C ATOM 403 CD1 TRP A 25 6.072 -15.062 -6.904 1.00 0.00 C ATOM 404 CD2 TRP A 25 5.371 -13.033 -7.535 1.00 0.00 C ATOM 405 NE1 TRP A 25 5.558 -15.171 -8.172 1.00 0.00 N ATOM 406 CE2 TRP A 25 5.118 -13.940 -8.581 1.00 0.00 C ATOM 407 CE3 TRP A 25 5.010 -11.691 -7.702 1.00 0.00 C ATOM 408 CZ2 TRP A 25 4.524 -13.549 -9.776 1.00 0.00 C ATOM 409 CZ3 TRP A 25 4.419 -11.305 -8.890 1.00 0.00 C ATOM 410 CH2 TRP A 25 4.180 -12.231 -9.912 1.00 0.00 C ATOM 0 H TRP A 25 8.486 -14.678 -4.859 1.00 0.00 H new ATOM 0 HA TRP A 25 8.004 -12.080 -6.024 1.00 0.00 H new ATOM 0 HB2 TRP A 25 6.334 -14.016 -4.399 1.00 0.00 H new ATOM 0 HB3 TRP A 25 5.748 -12.428 -4.853 1.00 0.00 H new ATOM 0 HD1 TRP A 25 6.486 -15.879 -6.332 1.00 0.00 H new ATOM 0 HE1 TRP A 25 5.511 -16.030 -8.721 1.00 0.00 H new ATOM 0 HE3 TRP A 25 5.190 -10.971 -6.917 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 4.341 -14.260 -10.568 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 4.137 -10.272 -9.032 1.00 0.00 H new ATOM 0 HH2 TRP A 25 3.714 -11.898 -10.828 1.00 0.00 H new ATOM 421 N THR A 26 9.005 -10.924 -3.968 1.00 0.00 N ATOM 422 CA THR A 26 9.313 -10.091 -2.823 1.00 0.00 C ATOM 423 C THR A 26 8.390 -8.882 -2.806 1.00 0.00 C ATOM 424 O THR A 26 8.134 -8.281 -3.839 1.00 0.00 O ATOM 425 CB THR A 26 10.780 -9.622 -2.857 1.00 0.00 C ATOM 426 OG1 THR A 26 11.640 -10.742 -3.106 1.00 0.00 O ATOM 427 CG2 THR A 26 11.171 -8.966 -1.540 1.00 0.00 C ATOM 0 H THR A 26 9.555 -10.725 -4.804 1.00 0.00 H new ATOM 0 HA THR A 26 9.163 -10.682 -1.920 1.00 0.00 H new ATOM 0 HB THR A 26 10.887 -8.889 -3.656 1.00 0.00 H new ATOM 0 HG1 THR A 26 12.572 -10.440 -3.129 1.00 0.00 H new ATOM 0 HG21 THR A 26 12.211 -8.643 -1.589 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.531 -8.102 -1.360 1.00 0.00 H new ATOM 0 HG23 THR A 26 11.051 -9.682 -0.727 1.00 0.00 H new ATOM 435 N LYS A 27 7.886 -8.529 -1.640 1.00 0.00 N ATOM 436 CA LYS A 27 7.002 -7.385 -1.523 1.00 0.00 C ATOM 437 C LYS A 27 7.668 -6.319 -0.674 1.00 0.00 C ATOM 438 O LYS A 27 7.993 -6.565 0.486 1.00 0.00 O ATOM 439 CB LYS A 27 5.670 -7.804 -0.899 1.00 0.00 C ATOM 440 CG LYS A 27 4.585 -6.750 -1.024 1.00 0.00 C ATOM 441 CD LYS A 27 3.284 -7.177 -0.354 1.00 0.00 C ATOM 442 CE LYS A 27 2.703 -8.452 -0.959 1.00 0.00 C ATOM 443 NZ LYS A 27 3.276 -9.682 -0.346 1.00 0.00 N ATOM 0 H LYS A 27 8.072 -9.015 -0.763 1.00 0.00 H new ATOM 0 HA LYS A 27 6.803 -6.982 -2.516 1.00 0.00 H new ATOM 0 HB2 LYS A 27 5.329 -8.724 -1.374 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.827 -8.029 0.156 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.933 -5.819 -0.577 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.398 -6.547 -2.079 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.462 -7.332 0.710 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.554 -6.372 -0.441 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.621 -8.453 -0.827 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.893 -8.461 -2.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.408 -10.407 -1.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.194 -9.458 0.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.627 -10.041 0.383 1.00 0.00 H new ATOM 457 N GLU A 28 7.882 -5.146 -1.247 1.00 0.00 N ATOM 458 CA GLU A 28 8.594 -4.085 -0.551 1.00 0.00 C ATOM 459 C GLU A 28 7.928 -2.738 -0.781 1.00 0.00 C ATOM 460 O GLU A 28 7.061 -2.597 -1.646 1.00 0.00 O ATOM 461 CB GLU A 28 10.053 -4.017 -1.012 1.00 0.00 C ATOM 462 CG GLU A 28 10.815 -5.321 -0.833 1.00 0.00 C ATOM 463 CD GLU A 28 12.293 -5.182 -1.108 1.00 0.00 C ATOM 464 OE1 GLU A 28 12.707 -5.338 -2.273 1.00 0.00 O ATOM 465 OE2 GLU A 28 13.054 -4.920 -0.152 1.00 0.00 O ATOM 0 H GLU A 28 7.574 -4.904 -2.189 1.00 0.00 H new ATOM 0 HA GLU A 28 8.565 -4.315 0.514 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.079 -3.733 -2.064 1.00 0.00 H new ATOM 0 HB3 GLU A 28 10.563 -3.230 -0.457 1.00 0.00 H new ATOM 0 HG2 GLU A 28 10.673 -5.682 0.186 1.00 0.00 H new ATOM 0 HG3 GLU A 28 10.396 -6.075 -1.500 1.00 0.00 H new ATOM 472 N ILE A 29 8.336 -1.758 0.009 1.00 0.00 N ATOM 473 CA ILE A 29 7.851 -0.397 -0.139 1.00 0.00 C ATOM 474 C ILE A 29 9.041 0.553 -0.164 1.00 0.00 C ATOM 475 O ILE A 29 9.925 0.473 0.698 1.00 0.00 O ATOM 476 CB ILE A 29 6.907 0.008 1.014 1.00 0.00 C ATOM 477 CG1 ILE A 29 5.816 -1.049 1.214 1.00 0.00 C ATOM 478 CG2 ILE A 29 6.281 1.365 0.725 1.00 0.00 C ATOM 479 CD1 ILE A 29 4.892 -0.761 2.378 1.00 0.00 C ATOM 0 H ILE A 29 9.008 -1.883 0.766 1.00 0.00 H new ATOM 0 HA ILE A 29 7.287 -0.340 -1.070 1.00 0.00 H new ATOM 0 HB ILE A 29 7.490 0.077 1.932 1.00 0.00 H new ATOM 0 HG12 ILE A 29 5.224 -1.123 0.302 1.00 0.00 H new ATOM 0 HG13 ILE A 29 6.287 -2.020 1.368 1.00 0.00 H new ATOM 0 HG21 ILE A 29 5.617 1.641 1.544 1.00 0.00 H new ATOM 0 HG22 ILE A 29 7.066 2.114 0.626 1.00 0.00 H new ATOM 0 HG23 ILE A 29 5.711 1.312 -0.202 1.00 0.00 H new ATOM 0 HD11 ILE A 29 4.147 -1.553 2.456 1.00 0.00 H new ATOM 0 HD12 ILE A 29 5.471 -0.716 3.300 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.391 0.194 2.217 1.00 0.00 H new ATOM 491 N ASN A 30 9.086 1.435 -1.144 1.00 0.00 N ATOM 492 CA ASN A 30 10.202 2.360 -1.268 1.00 0.00 C ATOM 493 C ASN A 30 9.781 3.688 -1.876 1.00 0.00 C ATOM 494 O ASN A 30 8.596 3.938 -2.093 1.00 0.00 O ATOM 495 CB ASN A 30 11.361 1.730 -2.062 1.00 0.00 C ATOM 496 CG ASN A 30 10.943 0.952 -3.305 1.00 0.00 C ATOM 497 OD1 ASN A 30 9.915 1.405 -4.006 1.00 0.00 O flip ATOM 498 ND2 ASN A 30 11.574 -0.050 -3.640 1.00 0.00 N flip ATOM 0 H ASN A 30 8.369 1.533 -1.863 1.00 0.00 H new ATOM 0 HA ASN A 30 10.556 2.568 -0.258 1.00 0.00 H new ATOM 0 HB2 ASN A 30 12.049 2.521 -2.361 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.913 1.061 -1.401 1.00 0.00 H new ATOM 0 HD21 ASN A 30 12.361 -0.370 -3.075 1.00 0.00 H new ATOM 0 HD22 ASN A 30 11.310 -0.561 -4.483 1.00 0.00 H new ATOM 505 N ARG A 31 10.767 4.541 -2.114 1.00 0.00 N ATOM 506 CA ARG A 31 10.541 5.876 -2.638 1.00 0.00 C ATOM 507 C ARG A 31 11.290 6.076 -3.952 1.00 0.00 C ATOM 508 O ARG A 31 12.520 6.212 -3.972 1.00 0.00 O ATOM 509 CB ARG A 31 10.977 6.919 -1.603 1.00 0.00 C ATOM 510 CG ARG A 31 9.825 7.484 -0.791 1.00 0.00 C ATOM 511 CD ARG A 31 10.280 8.032 0.559 1.00 0.00 C ATOM 512 NE ARG A 31 11.403 8.965 0.457 1.00 0.00 N ATOM 513 CZ ARG A 31 11.281 10.296 0.436 1.00 0.00 C ATOM 514 NH1 ARG A 31 10.082 10.864 0.378 1.00 0.00 N ATOM 515 NH2 ARG A 31 12.372 11.056 0.459 1.00 0.00 N ATOM 0 H ARG A 31 11.750 4.324 -1.948 1.00 0.00 H new ATOM 0 HA ARG A 31 9.477 5.999 -2.838 1.00 0.00 H new ATOM 0 HB2 ARG A 31 11.701 6.467 -0.926 1.00 0.00 H new ATOM 0 HB3 ARG A 31 11.486 7.736 -2.114 1.00 0.00 H new ATOM 0 HG2 ARG A 31 9.339 8.278 -1.358 1.00 0.00 H new ATOM 0 HG3 ARG A 31 9.080 6.705 -0.632 1.00 0.00 H new ATOM 0 HD2 ARG A 31 9.441 8.535 1.040 1.00 0.00 H new ATOM 0 HD3 ARG A 31 10.565 7.200 1.203 1.00 0.00 H new ATOM 0 HE ARG A 31 12.343 8.573 0.398 1.00 0.00 H new ATOM 0 HH11 ARG A 31 9.244 10.284 0.349 1.00 0.00 H new ATOM 0 HH12 ARG A 31 9.999 11.881 0.362 1.00 0.00 H new ATOM 0 HH21 ARG A 31 13.295 10.623 0.492 1.00 0.00 H new ATOM 0 HH22 ARG A 31 12.286 12.072 0.443 1.00 0.00 H new ATOM 529 N VAL A 32 10.542 6.078 -5.043 1.00 0.00 N ATOM 530 CA VAL A 32 11.103 6.255 -6.377 1.00 0.00 C ATOM 531 C VAL A 32 10.888 7.689 -6.859 1.00 0.00 C ATOM 532 O VAL A 32 9.841 8.289 -6.607 1.00 0.00 O ATOM 533 CB VAL A 32 10.466 5.265 -7.385 1.00 0.00 C ATOM 534 CG1 VAL A 32 11.033 5.457 -8.786 1.00 0.00 C ATOM 535 CG2 VAL A 32 10.674 3.831 -6.924 1.00 0.00 C ATOM 0 H VAL A 32 9.529 5.957 -5.032 1.00 0.00 H new ATOM 0 HA VAL A 32 12.172 6.051 -6.319 1.00 0.00 H new ATOM 0 HB VAL A 32 9.397 5.472 -7.425 1.00 0.00 H new ATOM 0 HG11 VAL A 32 10.565 4.747 -9.468 1.00 0.00 H new ATOM 0 HG12 VAL A 32 10.830 6.473 -9.124 1.00 0.00 H new ATOM 0 HG13 VAL A 32 12.110 5.288 -8.769 1.00 0.00 H new ATOM 0 HG21 VAL A 32 10.221 3.148 -7.643 1.00 0.00 H new ATOM 0 HG22 VAL A 32 11.742 3.624 -6.850 1.00 0.00 H new ATOM 0 HG23 VAL A 32 10.209 3.691 -5.948 1.00 0.00 H new ATOM 545 N SER A 33 11.887 8.243 -7.527 1.00 0.00 N ATOM 546 CA SER A 33 11.789 9.589 -8.057 1.00 0.00 C ATOM 547 C SER A 33 11.679 9.554 -9.576 1.00 0.00 C ATOM 548 O SER A 33 12.249 8.677 -10.231 1.00 0.00 O ATOM 549 CB SER A 33 13.002 10.420 -7.637 1.00 0.00 C ATOM 550 OG SER A 33 12.869 11.763 -8.070 1.00 0.00 O ATOM 0 H SER A 33 12.776 7.779 -7.714 1.00 0.00 H new ATOM 0 HA SER A 33 10.891 10.054 -7.650 1.00 0.00 H new ATOM 0 HB2 SER A 33 13.109 10.392 -6.553 1.00 0.00 H new ATOM 0 HB3 SER A 33 13.909 9.986 -8.058 1.00 0.00 H new ATOM 0 HG SER A 33 12.748 12.347 -7.292 1.00 0.00 H new ATOM 556 N PHE A 34 10.933 10.500 -10.128 1.00 0.00 N ATOM 557 CA PHE A 34 10.768 10.608 -11.567 1.00 0.00 C ATOM 558 C PHE A 34 11.314 11.945 -12.047 1.00 0.00 C ATOM 559 O PHE A 34 10.754 13.000 -11.730 1.00 0.00 O ATOM 560 CB PHE A 34 9.290 10.475 -11.952 1.00 0.00 C ATOM 561 CG PHE A 34 8.645 9.213 -11.449 1.00 0.00 C ATOM 562 CD1 PHE A 34 8.736 8.038 -12.175 1.00 0.00 C ATOM 563 CD2 PHE A 34 7.948 9.206 -10.252 1.00 0.00 C ATOM 564 CE1 PHE A 34 8.146 6.876 -11.715 1.00 0.00 C ATOM 565 CE2 PHE A 34 7.355 8.048 -9.787 1.00 0.00 C ATOM 566 CZ PHE A 34 7.453 6.880 -10.521 1.00 0.00 C ATOM 0 H PHE A 34 10.429 11.208 -9.594 1.00 0.00 H new ATOM 0 HA PHE A 34 11.322 9.800 -12.045 1.00 0.00 H new ATOM 0 HB2 PHE A 34 8.743 11.333 -11.561 1.00 0.00 H new ATOM 0 HB3 PHE A 34 9.202 10.509 -13.038 1.00 0.00 H new ATOM 0 HD1 PHE A 34 9.274 8.029 -13.111 1.00 0.00 H new ATOM 0 HD2 PHE A 34 7.867 10.116 -9.676 1.00 0.00 H new ATOM 0 HE1 PHE A 34 8.227 5.965 -12.289 1.00 0.00 H new ATOM 0 HE2 PHE A 34 6.816 8.055 -8.851 1.00 0.00 H new ATOM 0 HZ PHE A 34 6.989 5.974 -10.161 1.00 0.00 H new ATOM 576 N ASN A 35 12.415 11.885 -12.797 1.00 0.00 N ATOM 577 CA ASN A 35 13.105 13.069 -13.321 1.00 0.00 C ATOM 578 C ASN A 35 13.755 13.875 -12.197 1.00 0.00 C ATOM 579 O ASN A 35 14.974 13.854 -12.034 1.00 0.00 O ATOM 580 CB ASN A 35 12.155 13.962 -14.136 1.00 0.00 C ATOM 581 CG ASN A 35 11.773 13.358 -15.478 1.00 0.00 C ATOM 582 OD1 ASN A 35 11.748 12.138 -15.652 1.00 0.00 O ATOM 583 ND2 ASN A 35 11.467 14.214 -16.439 1.00 0.00 N ATOM 0 H ASN A 35 12.859 11.006 -13.062 1.00 0.00 H new ATOM 0 HA ASN A 35 13.890 12.712 -13.987 1.00 0.00 H new ATOM 0 HB2 ASN A 35 11.250 14.145 -13.556 1.00 0.00 H new ATOM 0 HB3 ASN A 35 12.628 14.930 -14.301 1.00 0.00 H new ATOM 0 HD21 ASN A 35 11.199 13.871 -17.361 1.00 0.00 H new ATOM 0 HD22 ASN A 35 11.499 15.217 -16.258 1.00 0.00 H new ATOM 590 N GLY A 36 12.937 14.562 -11.420 1.00 0.00 N ATOM 591 CA GLY A 36 13.440 15.368 -10.328 1.00 0.00 C ATOM 592 C GLY A 36 12.390 15.578 -9.262 1.00 0.00 C ATOM 593 O GLY A 36 12.077 16.711 -8.900 1.00 0.00 O ATOM 0 H GLY A 36 11.923 14.576 -11.527 1.00 0.00 H new ATOM 0 HA2 GLY A 36 14.313 14.884 -9.890 1.00 0.00 H new ATOM 0 HA3 GLY A 36 13.770 16.334 -10.710 1.00 0.00 H new ATOM 597 N ALA A 37 11.844 14.483 -8.761 1.00 0.00 N ATOM 598 CA ALA A 37 10.787 14.538 -7.765 1.00 0.00 C ATOM 599 C ALA A 37 11.369 14.331 -6.369 1.00 0.00 C ATOM 600 O ALA A 37 12.501 13.866 -6.236 1.00 0.00 O ATOM 601 CB ALA A 37 9.736 13.479 -8.070 1.00 0.00 C ATOM 0 H ALA A 37 12.118 13.538 -9.030 1.00 0.00 H new ATOM 0 HA ALA A 37 10.314 15.520 -7.798 1.00 0.00 H new ATOM 0 HB1 ALA A 37 8.946 13.524 -7.321 1.00 0.00 H new ATOM 0 HB2 ALA A 37 9.311 13.662 -9.057 1.00 0.00 H new ATOM 0 HB3 ALA A 37 10.198 12.492 -8.051 1.00 0.00 H new ATOM 607 N PRO A 38 10.617 14.676 -5.307 1.00 0.00 N ATOM 608 CA PRO A 38 11.057 14.458 -3.921 1.00 0.00 C ATOM 609 C PRO A 38 10.955 12.989 -3.501 1.00 0.00 C ATOM 610 O PRO A 38 10.994 12.677 -2.310 1.00 0.00 O ATOM 611 CB PRO A 38 10.086 15.315 -3.103 1.00 0.00 C ATOM 612 CG PRO A 38 8.846 15.363 -3.926 1.00 0.00 C ATOM 613 CD PRO A 38 9.295 15.334 -5.363 1.00 0.00 C ATOM 0 HA PRO A 38 12.105 14.722 -3.780 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.896 14.875 -2.124 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.487 16.314 -2.931 1.00 0.00 H new ATOM 0 HG2 PRO A 38 8.198 14.515 -3.703 1.00 0.00 H new ATOM 0 HG3 PRO A 38 8.273 16.266 -3.715 1.00 0.00 H new ATOM 0 HD2 PRO A 38 8.597 14.777 -5.989 1.00 0.00 H new ATOM 0 HD3 PRO A 38 9.366 16.339 -5.780 1.00 0.00 H new ATOM 621 N ALA A 39 10.845 12.103 -4.497 1.00 0.00 N ATOM 622 CA ALA A 39 10.703 10.662 -4.283 1.00 0.00 C ATOM 623 C ALA A 39 9.367 10.328 -3.628 1.00 0.00 C ATOM 624 O ALA A 39 9.165 10.556 -2.435 1.00 0.00 O ATOM 625 CB ALA A 39 11.863 10.105 -3.468 1.00 0.00 C ATOM 0 H ALA A 39 10.852 12.370 -5.481 1.00 0.00 H new ATOM 0 HA ALA A 39 10.724 10.184 -5.262 1.00 0.00 H new ATOM 0 HB1 ALA A 39 11.727 9.033 -3.327 1.00 0.00 H new ATOM 0 HB2 ALA A 39 12.799 10.286 -3.997 1.00 0.00 H new ATOM 0 HB3 ALA A 39 11.894 10.598 -2.496 1.00 0.00 H new ATOM 631 N LYS A 40 8.451 9.792 -4.416 1.00 0.00 N ATOM 632 CA LYS A 40 7.141 9.423 -3.904 1.00 0.00 C ATOM 633 C LYS A 40 7.122 7.954 -3.509 1.00 0.00 C ATOM 634 O LYS A 40 8.095 7.232 -3.723 1.00 0.00 O ATOM 635 CB LYS A 40 6.042 9.731 -4.922 1.00 0.00 C ATOM 636 CG LYS A 40 5.774 11.220 -5.078 1.00 0.00 C ATOM 637 CD LYS A 40 4.585 11.489 -5.985 1.00 0.00 C ATOM 638 CE LYS A 40 4.248 12.972 -6.037 1.00 0.00 C ATOM 639 NZ LYS A 40 3.878 13.508 -4.697 1.00 0.00 N ATOM 0 H LYS A 40 8.588 9.603 -5.409 1.00 0.00 H new ATOM 0 HA LYS A 40 6.942 10.022 -3.015 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.324 9.315 -5.889 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.122 9.232 -4.617 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.590 11.661 -4.098 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.659 11.708 -5.486 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.804 11.129 -6.990 1.00 0.00 H new ATOM 0 HD3 LYS A 40 3.720 10.930 -5.628 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.104 13.525 -6.425 1.00 0.00 H new ATOM 0 HE3 LYS A 40 3.424 13.132 -6.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 3.640 14.517 -4.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 3.056 12.987 -4.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 4.680 13.395 -4.044 1.00 0.00 H new ATOM 653 N PHE A 41 6.015 7.519 -2.938 1.00 0.00 N ATOM 654 CA PHE A 41 5.945 6.198 -2.339 1.00 0.00 C ATOM 655 C PHE A 41 5.247 5.209 -3.264 1.00 0.00 C ATOM 656 O PHE A 41 4.222 5.526 -3.872 1.00 0.00 O ATOM 657 CB PHE A 41 5.192 6.265 -1.011 1.00 0.00 C ATOM 658 CG PHE A 41 5.710 7.307 -0.053 1.00 0.00 C ATOM 659 CD1 PHE A 41 5.254 8.615 -0.120 1.00 0.00 C ATOM 660 CD2 PHE A 41 6.640 6.977 0.920 1.00 0.00 C ATOM 661 CE1 PHE A 41 5.719 9.574 0.763 1.00 0.00 C ATOM 662 CE2 PHE A 41 7.108 7.932 1.804 1.00 0.00 C ATOM 663 CZ PHE A 41 6.647 9.231 1.726 1.00 0.00 C ATOM 0 H PHE A 41 5.152 8.060 -2.876 1.00 0.00 H new ATOM 0 HA PHE A 41 6.965 5.854 -2.169 1.00 0.00 H new ATOM 0 HB2 PHE A 41 4.140 6.466 -1.214 1.00 0.00 H new ATOM 0 HB3 PHE A 41 5.243 5.289 -0.529 1.00 0.00 H new ATOM 0 HD1 PHE A 41 4.527 8.889 -0.870 1.00 0.00 H new ATOM 0 HD2 PHE A 41 7.003 5.962 0.989 1.00 0.00 H new ATOM 0 HE1 PHE A 41 5.356 10.589 0.699 1.00 0.00 H new ATOM 0 HE2 PHE A 41 7.835 7.661 2.556 1.00 0.00 H new ATOM 0 HZ PHE A 41 7.011 9.977 2.417 1.00 0.00 H new ATOM 673 N ASP A 42 5.804 4.019 -3.370 1.00 0.00 N ATOM 674 CA ASP A 42 5.161 2.954 -4.117 1.00 0.00 C ATOM 675 C ASP A 42 5.244 1.640 -3.351 1.00 0.00 C ATOM 676 O ASP A 42 6.292 1.275 -2.812 1.00 0.00 O ATOM 677 CB ASP A 42 5.770 2.810 -5.519 1.00 0.00 C ATOM 678 CG ASP A 42 7.216 2.350 -5.506 1.00 0.00 C ATOM 679 OD1 ASP A 42 8.084 3.129 -5.061 1.00 0.00 O ATOM 680 OD2 ASP A 42 7.483 1.215 -5.963 1.00 0.00 O ATOM 0 H ASP A 42 6.698 3.765 -2.950 1.00 0.00 H new ATOM 0 HA ASP A 42 4.110 3.216 -4.240 1.00 0.00 H new ATOM 0 HB2 ASP A 42 5.176 2.099 -6.093 1.00 0.00 H new ATOM 0 HB3 ASP A 42 5.706 3.768 -6.034 1.00 0.00 H new ATOM 685 N ILE A 43 4.110 0.965 -3.264 1.00 0.00 N ATOM 686 CA ILE A 43 4.032 -0.340 -2.627 1.00 0.00 C ATOM 687 C ILE A 43 3.860 -1.406 -3.698 1.00 0.00 C ATOM 688 O ILE A 43 2.779 -1.537 -4.273 1.00 0.00 O ATOM 689 CB ILE A 43 2.848 -0.418 -1.636 1.00 0.00 C ATOM 690 CG1 ILE A 43 2.934 0.714 -0.608 1.00 0.00 C ATOM 691 CG2 ILE A 43 2.823 -1.773 -0.943 1.00 0.00 C ATOM 692 CD1 ILE A 43 1.763 0.755 0.352 1.00 0.00 C ATOM 0 H ILE A 43 3.221 1.304 -3.631 1.00 0.00 H new ATOM 0 HA ILE A 43 4.953 -0.503 -2.068 1.00 0.00 H new ATOM 0 HB ILE A 43 1.920 -0.302 -2.195 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.856 0.605 -0.038 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.995 1.667 -1.134 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.984 -1.811 -0.249 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.714 -2.561 -1.688 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.754 -1.919 -0.395 1.00 0.00 H new ATOM 0 HD11 ILE A 43 1.893 1.582 1.050 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.838 0.895 -0.208 1.00 0.00 H new ATOM 0 HD13 ILE A 43 1.713 -0.183 0.906 1.00 0.00 H new ATOM 704 N ARG A 44 4.917 -2.149 -3.985 1.00 0.00 N ATOM 705 CA ARG A 44 4.888 -3.085 -5.098 1.00 0.00 C ATOM 706 C ARG A 44 5.416 -4.455 -4.706 1.00 0.00 C ATOM 707 O ARG A 44 6.092 -4.617 -3.687 1.00 0.00 O ATOM 708 CB ARG A 44 5.714 -2.552 -6.272 1.00 0.00 C ATOM 709 CG ARG A 44 5.224 -1.229 -6.835 1.00 0.00 C ATOM 710 CD ARG A 44 5.963 -0.870 -8.112 1.00 0.00 C ATOM 711 NE ARG A 44 5.717 -1.848 -9.176 1.00 0.00 N ATOM 712 CZ ARG A 44 6.476 -1.971 -10.265 1.00 0.00 C ATOM 713 NH1 ARG A 44 7.552 -1.210 -10.417 1.00 0.00 N ATOM 714 NH2 ARG A 44 6.170 -2.872 -11.189 1.00 0.00 N ATOM 0 H ARG A 44 5.797 -2.124 -3.469 1.00 0.00 H new ATOM 0 HA ARG A 44 3.844 -3.189 -5.393 1.00 0.00 H new ATOM 0 HB2 ARG A 44 6.748 -2.435 -5.949 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.712 -3.295 -7.069 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.154 -1.290 -7.035 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.366 -0.441 -6.095 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.650 0.119 -8.448 1.00 0.00 H new ATOM 0 HD3 ARG A 44 7.033 -0.814 -7.910 1.00 0.00 H new ATOM 0 HE ARG A 44 4.916 -2.472 -9.077 1.00 0.00 H new ATOM 0 HH11 ARG A 44 7.800 -0.529 -9.700 1.00 0.00 H new ATOM 0 HH12 ARG A 44 8.131 -1.306 -11.251 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.354 -3.471 -11.067 1.00 0.00 H new ATOM 0 HH22 ARG A 44 6.751 -2.966 -12.022 1.00 0.00 H new ATOM 728 N ALA A 45 5.082 -5.437 -5.528 1.00 0.00 N ATOM 729 CA ALA A 45 5.646 -6.766 -5.417 1.00 0.00 C ATOM 730 C ALA A 45 6.545 -7.025 -6.615 1.00 0.00 C ATOM 731 O ALA A 45 6.251 -6.586 -7.726 1.00 0.00 O ATOM 732 CB ALA A 45 4.542 -7.814 -5.328 1.00 0.00 C ATOM 0 H ALA A 45 4.412 -5.332 -6.290 1.00 0.00 H new ATOM 0 HA ALA A 45 6.237 -6.834 -4.504 1.00 0.00 H new ATOM 0 HB1 ALA A 45 4.987 -8.805 -5.245 1.00 0.00 H new ATOM 0 HB2 ALA A 45 3.925 -7.619 -4.451 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.923 -7.768 -6.224 1.00 0.00 H new ATOM 738 N TRP A 46 7.643 -7.712 -6.384 1.00 0.00 N ATOM 739 CA TRP A 46 8.599 -7.992 -7.434 1.00 0.00 C ATOM 740 C TRP A 46 8.542 -9.460 -7.818 1.00 0.00 C ATOM 741 O TRP A 46 8.675 -10.343 -6.967 1.00 0.00 O ATOM 742 CB TRP A 46 10.012 -7.614 -6.981 1.00 0.00 C ATOM 743 CG TRP A 46 10.130 -6.186 -6.527 1.00 0.00 C ATOM 744 CD1 TRP A 46 10.197 -5.738 -5.237 1.00 0.00 C ATOM 745 CD2 TRP A 46 10.185 -5.022 -7.360 1.00 0.00 C ATOM 746 NE1 TRP A 46 10.295 -4.368 -5.220 1.00 0.00 N ATOM 747 CE2 TRP A 46 10.287 -3.905 -6.508 1.00 0.00 C ATOM 748 CE3 TRP A 46 10.157 -4.812 -8.744 1.00 0.00 C ATOM 749 CZ2 TRP A 46 10.364 -2.602 -6.992 1.00 0.00 C ATOM 750 CZ3 TRP A 46 10.233 -3.517 -9.221 1.00 0.00 C ATOM 751 CH2 TRP A 46 10.334 -2.427 -8.348 1.00 0.00 C ATOM 0 H TRP A 46 7.897 -8.090 -5.471 1.00 0.00 H new ATOM 0 HA TRP A 46 8.343 -7.393 -8.308 1.00 0.00 H new ATOM 0 HB2 TRP A 46 10.313 -8.273 -6.166 1.00 0.00 H new ATOM 0 HB3 TRP A 46 10.707 -7.785 -7.803 1.00 0.00 H new ATOM 0 HD1 TRP A 46 10.176 -6.368 -4.360 1.00 0.00 H new ATOM 0 HE1 TRP A 46 10.363 -3.789 -4.383 1.00 0.00 H new ATOM 0 HE3 TRP A 46 10.078 -5.646 -9.426 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 10.445 -1.760 -6.321 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 10.214 -3.343 -10.287 1.00 0.00 H new ATOM 0 HH2 TRP A 46 10.389 -1.428 -8.754 1.00 0.00 H new ATOM 762 N SER A 47 8.334 -9.703 -9.101 1.00 0.00 N ATOM 763 CA SER A 47 8.240 -11.049 -9.633 1.00 0.00 C ATOM 764 C SER A 47 9.623 -11.696 -9.662 1.00 0.00 C ATOM 765 O SER A 47 10.636 -10.992 -9.707 1.00 0.00 O ATOM 766 CB SER A 47 7.646 -10.989 -11.050 1.00 0.00 C ATOM 767 OG SER A 47 7.313 -12.277 -11.543 1.00 0.00 O ATOM 0 H SER A 47 8.226 -8.971 -9.803 1.00 0.00 H new ATOM 0 HA SER A 47 7.592 -11.652 -8.997 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.754 -10.362 -11.043 1.00 0.00 H new ATOM 0 HB3 SER A 47 8.362 -10.517 -11.723 1.00 0.00 H new ATOM 0 HG SER A 47 6.486 -12.586 -11.118 1.00 0.00 H new ATOM 877 N LYS A 55 2.772 -6.299 -9.510 1.00 0.00 N ATOM 878 CA LYS A 55 1.638 -5.481 -9.098 1.00 0.00 C ATOM 879 C LYS A 55 2.069 -4.493 -8.020 1.00 0.00 C ATOM 880 O LYS A 55 2.934 -4.801 -7.198 1.00 0.00 O ATOM 881 CB LYS A 55 0.500 -6.370 -8.576 1.00 0.00 C ATOM 882 CG LYS A 55 -0.105 -7.281 -9.637 1.00 0.00 C ATOM 883 CD LYS A 55 -1.117 -8.259 -9.045 1.00 0.00 C ATOM 884 CE LYS A 55 -2.288 -7.542 -8.394 1.00 0.00 C ATOM 885 NZ LYS A 55 -3.308 -8.497 -7.876 1.00 0.00 N ATOM 0 HA LYS A 55 1.277 -4.924 -9.963 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.877 -6.982 -7.757 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.285 -5.735 -8.165 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.592 -6.674 -10.400 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.690 -7.838 -10.132 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.487 -8.918 -9.831 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.622 -8.890 -8.307 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.924 -6.921 -7.575 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -2.752 -6.873 -9.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.260 -8.134 -8.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.182 -9.422 -8.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.194 -8.602 -6.848 1.00 0.00 H new ATOM 899 N GLY A 56 1.479 -3.309 -8.028 1.00 0.00 N ATOM 900 CA GLY A 56 1.853 -2.304 -7.062 1.00 0.00 C ATOM 901 C GLY A 56 0.985 -1.071 -7.141 1.00 0.00 C ATOM 902 O GLY A 56 0.336 -0.823 -8.156 1.00 0.00 O ATOM 0 H GLY A 56 0.750 -3.028 -8.684 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.787 -2.727 -6.059 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.894 -2.022 -7.221 1.00 0.00 H new ATOM 906 N ILE A 57 0.980 -0.296 -6.068 1.00 0.00 N ATOM 907 CA ILE A 57 0.188 0.922 -6.003 1.00 0.00 C ATOM 908 C ILE A 57 1.079 2.120 -5.677 1.00 0.00 C ATOM 909 O ILE A 57 1.934 2.051 -4.790 1.00 0.00 O ATOM 910 CB ILE A 57 -0.947 0.798 -4.952 1.00 0.00 C ATOM 911 CG1 ILE A 57 -1.829 2.051 -4.937 1.00 0.00 C ATOM 912 CG2 ILE A 57 -0.383 0.531 -3.565 1.00 0.00 C ATOM 913 CD1 ILE A 57 -2.604 2.256 -6.218 1.00 0.00 C ATOM 0 H ILE A 57 1.520 -0.491 -5.225 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.270 1.076 -6.980 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.567 -0.051 -5.240 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.529 1.983 -4.105 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.203 2.925 -4.756 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -1.201 0.449 -2.849 1.00 0.00 H new ATOM 0 HG22 ILE A 57 0.184 -0.400 -3.576 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.272 1.352 -3.274 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -3.207 3.161 -6.138 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -1.909 2.356 -7.052 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.256 1.400 -6.390 1.00 0.00 H new ATOM 925 N THR A 58 0.898 3.206 -6.415 1.00 0.00 N ATOM 926 CA THR A 58 1.657 4.424 -6.176 1.00 0.00 C ATOM 927 C THR A 58 0.872 5.369 -5.267 1.00 0.00 C ATOM 928 O THR A 58 -0.310 5.642 -5.508 1.00 0.00 O ATOM 929 CB THR A 58 1.995 5.140 -7.502 1.00 0.00 C ATOM 930 OG1 THR A 58 2.594 4.211 -8.417 1.00 0.00 O ATOM 931 CG2 THR A 58 2.944 6.308 -7.271 1.00 0.00 C ATOM 0 H THR A 58 0.232 3.268 -7.185 1.00 0.00 H new ATOM 0 HA THR A 58 2.590 4.144 -5.687 1.00 0.00 H new ATOM 0 HB THR A 58 1.067 5.528 -7.923 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.805 4.669 -9.257 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.163 6.792 -8.223 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.479 7.027 -6.597 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.870 5.942 -6.828 1.00 0.00 H new ATOM 939 N LEU A 59 1.526 5.856 -4.222 1.00 0.00 N ATOM 940 CA LEU A 59 0.883 6.731 -3.254 1.00 0.00 C ATOM 941 C LEU A 59 1.669 8.025 -3.091 1.00 0.00 C ATOM 942 O LEU A 59 2.894 8.012 -2.950 1.00 0.00 O ATOM 943 CB LEU A 59 0.760 6.029 -1.898 1.00 0.00 C ATOM 944 CG LEU A 59 -0.072 4.743 -1.897 1.00 0.00 C ATOM 945 CD1 LEU A 59 -0.063 4.104 -0.519 1.00 0.00 C ATOM 946 CD2 LEU A 59 -1.498 5.023 -2.341 1.00 0.00 C ATOM 0 H LEU A 59 2.507 5.658 -4.023 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.114 6.969 -3.625 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.761 5.794 -1.537 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.320 6.727 -1.185 1.00 0.00 H new ATOM 0 HG LEU A 59 0.377 4.047 -2.606 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.659 3.192 -0.537 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.962 3.862 -0.237 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.485 4.799 0.207 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.070 4.095 -2.333 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.957 5.739 -1.659 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.491 5.436 -3.350 1.00 0.00 H new ATOM 958 N SER A 60 0.963 9.139 -3.124 1.00 0.00 N ATOM 959 CA SER A 60 1.578 10.430 -2.907 1.00 0.00 C ATOM 960 C SER A 60 1.814 10.636 -1.411 1.00 0.00 C ATOM 961 O SER A 60 1.361 9.838 -0.589 1.00 0.00 O ATOM 962 CB SER A 60 0.694 11.540 -3.484 1.00 0.00 C ATOM 963 OG SER A 60 1.391 12.774 -3.540 1.00 0.00 O ATOM 0 H SER A 60 -0.041 9.173 -3.300 1.00 0.00 H new ATOM 0 HA SER A 60 2.539 10.468 -3.420 1.00 0.00 H new ATOM 0 HB2 SER A 60 0.362 11.261 -4.484 1.00 0.00 H new ATOM 0 HB3 SER A 60 -0.200 11.652 -2.871 1.00 0.00 H new ATOM 0 HG SER A 60 0.804 13.464 -3.913 1.00 0.00 H new ATOM 969 N ASN A 61 2.510 11.713 -1.074 1.00 0.00 N ATOM 970 CA ASN A 61 2.938 11.973 0.298 1.00 0.00 C ATOM 971 C ASN A 61 1.753 11.979 1.264 1.00 0.00 C ATOM 972 O ASN A 61 1.748 11.248 2.255 1.00 0.00 O ATOM 973 CB ASN A 61 3.689 13.310 0.378 1.00 0.00 C ATOM 974 CG ASN A 61 3.903 13.948 -0.986 1.00 0.00 C ATOM 975 OD1 ASN A 61 4.857 13.628 -1.697 1.00 0.00 O ATOM 976 ND2 ASN A 61 3.013 14.854 -1.363 1.00 0.00 N ATOM 0 H ASN A 61 2.794 12.431 -1.740 1.00 0.00 H new ATOM 0 HA ASN A 61 3.609 11.166 0.594 1.00 0.00 H new ATOM 0 HB2 ASN A 61 3.130 13.998 1.012 1.00 0.00 H new ATOM 0 HB3 ASN A 61 4.656 13.150 0.855 1.00 0.00 H new ATOM 0 HD21 ASN A 61 3.105 15.313 -2.269 1.00 0.00 H new ATOM 0 HD22 ASN A 61 2.236 15.093 -0.747 1.00 0.00 H new ATOM 983 N GLU A 62 0.746 12.788 0.957 1.00 0.00 N ATOM 984 CA GLU A 62 -0.434 12.905 1.809 1.00 0.00 C ATOM 985 C GLU A 62 -1.202 11.589 1.877 1.00 0.00 C ATOM 986 O GLU A 62 -1.641 11.179 2.950 1.00 0.00 O ATOM 987 CB GLU A 62 -1.354 14.021 1.302 1.00 0.00 C ATOM 988 CG GLU A 62 -0.856 15.426 1.613 1.00 0.00 C ATOM 989 CD GLU A 62 0.548 15.685 1.109 1.00 0.00 C ATOM 990 OE1 GLU A 62 0.776 15.566 -0.112 1.00 0.00 O ATOM 991 OE2 GLU A 62 1.434 15.988 1.934 1.00 0.00 O ATOM 0 H GLU A 62 0.722 13.374 0.123 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.092 13.153 2.814 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.471 13.919 0.223 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.342 13.891 1.743 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.535 16.153 1.167 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.883 15.584 2.691 1.00 0.00 H new ATOM 998 N GLU A 63 -1.350 10.932 0.733 1.00 0.00 N ATOM 999 CA GLU A 63 -2.083 9.669 0.657 1.00 0.00 C ATOM 1000 C GLU A 63 -1.419 8.619 1.544 1.00 0.00 C ATOM 1001 O GLU A 63 -2.079 7.925 2.325 1.00 0.00 O ATOM 1002 CB GLU A 63 -2.131 9.171 -0.791 1.00 0.00 C ATOM 1003 CG GLU A 63 -2.559 10.231 -1.792 1.00 0.00 C ATOM 1004 CD GLU A 63 -2.604 9.701 -3.209 1.00 0.00 C ATOM 1005 OE1 GLU A 63 -1.596 9.118 -3.659 1.00 0.00 O ATOM 1006 OE2 GLU A 63 -3.643 9.843 -3.873 1.00 0.00 O ATOM 0 H GLU A 63 -0.972 11.252 -0.159 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.101 9.837 1.008 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.145 8.799 -1.070 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.819 8.328 -0.852 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.543 10.610 -1.517 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.868 11.073 -1.743 1.00 0.00 H new ATOM 1013 N PHE A 64 -0.102 8.537 1.425 1.00 0.00 N ATOM 1014 CA PHE A 64 0.690 7.591 2.193 1.00 0.00 C ATOM 1015 C PHE A 64 0.582 7.904 3.681 1.00 0.00 C ATOM 1016 O PHE A 64 0.342 7.018 4.494 1.00 0.00 O ATOM 1017 CB PHE A 64 2.146 7.662 1.730 1.00 0.00 C ATOM 1018 CG PHE A 64 2.953 6.435 2.036 1.00 0.00 C ATOM 1019 CD1 PHE A 64 2.903 5.336 1.196 1.00 0.00 C ATOM 1020 CD2 PHE A 64 3.777 6.390 3.142 1.00 0.00 C ATOM 1021 CE1 PHE A 64 3.657 4.211 1.459 1.00 0.00 C ATOM 1022 CE2 PHE A 64 4.535 5.270 3.411 1.00 0.00 C ATOM 1023 CZ PHE A 64 4.478 4.180 2.567 1.00 0.00 C ATOM 0 H PHE A 64 0.445 9.123 0.795 1.00 0.00 H new ATOM 0 HA PHE A 64 0.314 6.581 2.031 1.00 0.00 H new ATOM 0 HB2 PHE A 64 2.165 7.835 0.654 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.623 8.522 2.200 1.00 0.00 H new ATOM 0 HD1 PHE A 64 2.266 5.359 0.324 1.00 0.00 H new ATOM 0 HD2 PHE A 64 3.829 7.242 3.804 1.00 0.00 H new ATOM 0 HE1 PHE A 64 3.605 3.357 0.799 1.00 0.00 H new ATOM 0 HE2 PHE A 64 5.173 5.246 4.282 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.075 3.304 2.774 1.00 0.00 H new ATOM 1033 N GLN A 65 0.732 9.179 4.026 1.00 0.00 N ATOM 1034 CA GLN A 65 0.598 9.629 5.407 1.00 0.00 C ATOM 1035 C GLN A 65 -0.791 9.301 5.960 1.00 0.00 C ATOM 1036 O GLN A 65 -0.930 8.920 7.123 1.00 0.00 O ATOM 1037 CB GLN A 65 0.881 11.138 5.501 1.00 0.00 C ATOM 1038 CG GLN A 65 0.451 11.792 6.811 1.00 0.00 C ATOM 1039 CD GLN A 65 1.028 11.128 8.051 1.00 0.00 C ATOM 1040 OE1 GLN A 65 2.222 10.569 7.940 1.00 0.00 O flip ATOM 1041 NE2 GLN A 65 0.402 11.132 9.109 1.00 0.00 N flip ATOM 0 H GLN A 65 0.948 9.923 3.363 1.00 0.00 H new ATOM 0 HA GLN A 65 1.330 9.098 6.015 1.00 0.00 H new ATOM 0 HB2 GLN A 65 1.950 11.302 5.364 1.00 0.00 H new ATOM 0 HB3 GLN A 65 0.373 11.640 4.677 1.00 0.00 H new ATOM 0 HG2 GLN A 65 0.752 12.839 6.799 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -0.637 11.774 6.874 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -0.517 11.573 9.156 1.00 0.00 H new ATOM 0 HE22 GLN A 65 0.801 10.694 9.939 1.00 0.00 H new ATOM 1050 N THR A 66 -1.808 9.430 5.112 1.00 0.00 N ATOM 1051 CA THR A 66 -3.180 9.124 5.500 1.00 0.00 C ATOM 1052 C THR A 66 -3.287 7.702 6.055 1.00 0.00 C ATOM 1053 O THR A 66 -3.781 7.494 7.169 1.00 0.00 O ATOM 1054 CB THR A 66 -4.148 9.293 4.305 1.00 0.00 C ATOM 1055 OG1 THR A 66 -4.082 10.639 3.806 1.00 0.00 O ATOM 1056 CG2 THR A 66 -5.581 8.973 4.705 1.00 0.00 C ATOM 0 H THR A 66 -1.706 9.746 4.148 1.00 0.00 H new ATOM 0 HA THR A 66 -3.463 9.829 6.281 1.00 0.00 H new ATOM 0 HB THR A 66 -3.842 8.594 3.526 1.00 0.00 H new ATOM 0 HG1 THR A 66 -3.287 10.740 3.243 1.00 0.00 H new ATOM 0 HG21 THR A 66 -6.236 9.101 3.844 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.639 7.942 5.055 1.00 0.00 H new ATOM 0 HG23 THR A 66 -5.895 9.646 5.503 1.00 0.00 H new ATOM 1064 N MET A 67 -2.793 6.730 5.290 1.00 0.00 N ATOM 1065 CA MET A 67 -2.853 5.334 5.710 1.00 0.00 C ATOM 1066 C MET A 67 -1.965 5.101 6.935 1.00 0.00 C ATOM 1067 O MET A 67 -2.317 4.325 7.824 1.00 0.00 O ATOM 1068 CB MET A 67 -2.429 4.386 4.577 1.00 0.00 C ATOM 1069 CG MET A 67 -0.925 4.286 4.399 1.00 0.00 C ATOM 1070 SD MET A 67 -0.424 3.031 3.215 1.00 0.00 S ATOM 1071 CE MET A 67 1.330 2.977 3.568 1.00 0.00 C ATOM 0 H MET A 67 -2.351 6.883 4.384 1.00 0.00 H new ATOM 0 HA MET A 67 -3.889 5.117 5.970 1.00 0.00 H new ATOM 0 HB2 MET A 67 -2.830 3.392 4.777 1.00 0.00 H new ATOM 0 HB3 MET A 67 -2.875 4.727 3.643 1.00 0.00 H new ATOM 0 HG2 MET A 67 -0.541 5.253 4.075 1.00 0.00 H new ATOM 0 HG3 MET A 67 -0.467 4.067 5.364 1.00 0.00 H new ATOM 0 HE1 MET A 67 1.828 2.338 2.839 1.00 0.00 H new ATOM 0 HE2 MET A 67 1.744 3.984 3.511 1.00 0.00 H new ATOM 0 HE3 MET A 67 1.487 2.576 4.569 1.00 0.00 H new ATOM 1081 N VAL A 68 -0.826 5.793 6.978 1.00 0.00 N ATOM 1082 CA VAL A 68 0.145 5.614 8.051 1.00 0.00 C ATOM 1083 C VAL A 68 -0.467 5.926 9.407 1.00 0.00 C ATOM 1084 O VAL A 68 -0.554 5.048 10.256 1.00 0.00 O ATOM 1085 CB VAL A 68 1.406 6.481 7.834 1.00 0.00 C ATOM 1086 CG1 VAL A 68 2.266 6.522 9.088 1.00 0.00 C ATOM 1087 CG2 VAL A 68 2.220 5.945 6.669 1.00 0.00 C ATOM 0 H VAL A 68 -0.555 6.484 6.278 1.00 0.00 H new ATOM 0 HA VAL A 68 0.443 4.566 8.032 1.00 0.00 H new ATOM 0 HB VAL A 68 1.079 7.496 7.608 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.146 7.139 8.906 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.690 6.946 9.911 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.579 5.511 9.347 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.105 6.565 6.528 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.525 4.920 6.879 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.615 5.965 5.763 1.00 0.00 H new ATOM 1097 N ASP A 69 -0.920 7.161 9.595 1.00 0.00 N ATOM 1098 CA ASP A 69 -1.475 7.575 10.883 1.00 0.00 C ATOM 1099 C ASP A 69 -2.701 6.738 11.233 1.00 0.00 C ATOM 1100 O ASP A 69 -2.909 6.371 12.395 1.00 0.00 O ATOM 1101 CB ASP A 69 -1.840 9.060 10.868 1.00 0.00 C ATOM 1102 CG ASP A 69 -2.290 9.559 12.231 1.00 0.00 C ATOM 1103 OD1 ASP A 69 -1.422 9.945 13.045 1.00 0.00 O ATOM 1104 OD2 ASP A 69 -3.511 9.570 12.494 1.00 0.00 O ATOM 0 H ASP A 69 -0.915 7.889 8.880 1.00 0.00 H new ATOM 0 HA ASP A 69 -0.712 7.415 11.644 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -0.978 9.640 10.538 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -2.635 9.229 10.142 1.00 0.00 H new ATOM 1109 N ALA A 70 -3.497 6.413 10.219 1.00 0.00 N ATOM 1110 CA ALA A 70 -4.692 5.611 10.417 1.00 0.00 C ATOM 1111 C ALA A 70 -4.350 4.244 11.003 1.00 0.00 C ATOM 1112 O ALA A 70 -4.888 3.860 12.034 1.00 0.00 O ATOM 1113 CB ALA A 70 -5.444 5.456 9.110 1.00 0.00 C ATOM 0 H ALA A 70 -3.333 6.695 9.252 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.332 6.129 11.131 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.337 4.853 9.273 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.733 6.439 8.738 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -4.803 4.965 8.378 1.00 0.00 H new ATOM 1119 N PHE A 71 -3.441 3.518 10.357 1.00 0.00 N ATOM 1120 CA PHE A 71 -3.054 2.190 10.831 1.00 0.00 C ATOM 1121 C PHE A 71 -2.203 2.286 12.094 1.00 0.00 C ATOM 1122 O PHE A 71 -2.271 1.413 12.967 1.00 0.00 O ATOM 1123 CB PHE A 71 -2.301 1.412 9.748 1.00 0.00 C ATOM 1124 CG PHE A 71 -3.159 1.017 8.581 1.00 0.00 C ATOM 1125 CD1 PHE A 71 -4.402 0.436 8.782 1.00 0.00 C ATOM 1126 CD2 PHE A 71 -2.725 1.230 7.284 1.00 0.00 C ATOM 1127 CE1 PHE A 71 -5.194 0.074 7.709 1.00 0.00 C ATOM 1128 CE2 PHE A 71 -3.512 0.869 6.208 1.00 0.00 C ATOM 1129 CZ PHE A 71 -4.748 0.291 6.422 1.00 0.00 C ATOM 0 H PHE A 71 -2.961 3.823 9.510 1.00 0.00 H new ATOM 0 HA PHE A 71 -3.970 1.649 11.069 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -1.471 2.019 9.388 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -1.870 0.514 10.191 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -4.755 0.265 9.788 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -1.760 1.684 7.111 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -6.160 -0.378 7.878 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -3.161 1.038 5.201 1.00 0.00 H new ATOM 0 HZ PHE A 71 -5.365 0.009 5.582 1.00 0.00 H new ATOM 1139 N LYS A 72 -1.425 3.363 12.183 1.00 0.00 N ATOM 1140 CA LYS A 72 -0.572 3.647 13.335 1.00 0.00 C ATOM 1141 C LYS A 72 -1.388 3.609 14.626 1.00 0.00 C ATOM 1142 O LYS A 72 -0.911 3.153 15.667 1.00 0.00 O ATOM 1143 CB LYS A 72 0.078 5.025 13.144 1.00 0.00 C ATOM 1144 CG LYS A 72 1.057 5.441 14.226 1.00 0.00 C ATOM 1145 CD LYS A 72 1.773 6.728 13.835 1.00 0.00 C ATOM 1146 CE LYS A 72 2.736 7.205 14.915 1.00 0.00 C ATOM 1147 NZ LYS A 72 2.027 7.619 16.154 1.00 0.00 N ATOM 0 H LYS A 72 -1.369 4.070 11.450 1.00 0.00 H new ATOM 0 HA LYS A 72 0.206 2.887 13.411 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.598 5.033 12.186 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.711 5.775 13.085 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.527 5.585 15.168 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.786 4.648 14.389 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.322 6.568 12.907 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.036 7.506 13.639 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.440 6.407 15.150 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.320 8.043 14.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.699 8.077 16.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.268 8.288 15.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.616 6.782 16.615 1.00 0.00 H new ATOM 1161 N GLY A 73 -2.627 4.074 14.545 1.00 0.00 N ATOM 1162 CA GLY A 73 -3.509 4.031 15.690 1.00 0.00 C ATOM 1163 C GLY A 73 -4.781 3.254 15.415 1.00 0.00 C ATOM 1164 O GLY A 73 -5.869 3.704 15.768 1.00 0.00 O ATOM 0 H GLY A 73 -3.036 4.481 13.704 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.985 3.577 16.531 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.765 5.048 15.985 1.00 0.00 H new ATOM 1168 N ASN A 74 -4.651 2.095 14.772 1.00 0.00 N ATOM 1169 CA ASN A 74 -5.813 1.250 14.498 1.00 0.00 C ATOM 1170 C ASN A 74 -5.446 -0.229 14.489 1.00 0.00 C ATOM 1171 O ASN A 74 -5.899 -0.983 15.348 1.00 0.00 O ATOM 1172 CB ASN A 74 -6.469 1.626 13.167 1.00 0.00 C ATOM 1173 CG ASN A 74 -7.690 0.777 12.854 1.00 0.00 C ATOM 1174 OD1 ASN A 74 -8.387 0.309 13.751 1.00 0.00 O ATOM 1175 ND2 ASN A 74 -7.955 0.573 11.573 1.00 0.00 N ATOM 0 H ASN A 74 -3.764 1.722 14.434 1.00 0.00 H new ATOM 0 HA ASN A 74 -6.525 1.423 15.305 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -6.759 2.676 13.194 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -5.740 1.517 12.364 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -8.762 0.010 11.302 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -7.353 0.978 10.857 1.00 0.00 H new ATOM 1182 N LEU A 75 -4.620 -0.647 13.525 1.00 0.00 N ATOM 1183 CA LEU A 75 -4.326 -2.070 13.358 1.00 0.00 C ATOM 1184 C LEU A 75 -3.570 -2.616 14.562 1.00 0.00 C ATOM 1185 O LEU A 75 -3.836 -3.730 15.015 1.00 0.00 O ATOM 1186 CB LEU A 75 -3.545 -2.347 12.066 1.00 0.00 C ATOM 1187 CG LEU A 75 -3.323 -3.840 11.772 1.00 0.00 C ATOM 1188 CD1 LEU A 75 -4.641 -4.591 11.815 1.00 0.00 C ATOM 1189 CD2 LEU A 75 -2.661 -4.045 10.420 1.00 0.00 C ATOM 0 H LEU A 75 -4.151 -0.032 12.860 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.283 -2.586 13.283 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.079 -1.899 11.228 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.576 -1.852 12.127 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.659 -4.232 12.543 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.466 -5.646 11.605 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.087 -4.487 12.804 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.319 -4.180 11.067 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.518 -5.111 10.243 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.295 -3.629 9.637 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.694 -3.543 10.409 1.00 0.00 H new ATOM 1201 N GLU A 76 -2.635 -1.835 15.088 1.00 0.00 N ATOM 1202 CA GLU A 76 -1.958 -2.224 16.310 1.00 0.00 C ATOM 1203 C GLU A 76 -2.915 -2.070 17.481 1.00 0.00 C ATOM 1204 O GLU A 76 -3.182 -0.954 17.935 1.00 0.00 O ATOM 1205 CB GLU A 76 -0.706 -1.386 16.568 1.00 0.00 C ATOM 1206 CG GLU A 76 0.130 -1.929 17.718 1.00 0.00 C ATOM 1207 CD GLU A 76 1.077 -0.905 18.305 1.00 0.00 C ATOM 1208 OE1 GLU A 76 2.110 -0.606 17.679 1.00 0.00 O ATOM 1209 OE2 GLU A 76 0.800 -0.399 19.415 1.00 0.00 O ATOM 0 H GLU A 76 -2.335 -0.944 14.693 1.00 0.00 H new ATOM 0 HA GLU A 76 -1.644 -3.262 16.201 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.099 -1.357 15.663 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -0.999 -0.359 16.788 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.535 -2.290 18.502 1.00 0.00 H new ATOM 0 HG3 GLU A 76 0.705 -2.786 17.367 1.00 0.00 H new ATOM 1451 N THR B 8 -13.737 -12.974 -9.495 1.00 0.00 N ATOM 1452 CA THR B 8 -14.804 -12.258 -8.819 1.00 0.00 C ATOM 1453 C THR B 8 -14.269 -11.509 -7.609 1.00 0.00 C ATOM 1454 O THR B 8 -13.574 -12.082 -6.768 1.00 0.00 O ATOM 1455 CB THR B 8 -15.934 -13.210 -8.382 1.00 0.00 C ATOM 1456 OG1 THR B 8 -15.381 -14.412 -7.831 1.00 0.00 O ATOM 1457 CG2 THR B 8 -16.848 -13.551 -9.551 1.00 0.00 C ATOM 0 HA THR B 8 -15.214 -11.541 -9.531 1.00 0.00 H new ATOM 0 HB THR B 8 -16.526 -12.702 -7.621 1.00 0.00 H new ATOM 0 HG1 THR B 8 -14.458 -14.520 -8.143 1.00 0.00 H new ATOM 0 HG21 THR B 8 -17.636 -14.224 -9.213 1.00 0.00 H new ATOM 0 HG22 THR B 8 -17.295 -12.637 -9.942 1.00 0.00 H new ATOM 0 HG23 THR B 8 -16.269 -14.036 -10.336 1.00 0.00 H new ATOM 1465 N PHE B 9 -14.581 -10.224 -7.536 1.00 0.00 N ATOM 1466 CA PHE B 9 -14.109 -9.385 -6.449 1.00 0.00 C ATOM 1467 C PHE B 9 -15.282 -8.810 -5.659 1.00 0.00 C ATOM 1468 O PHE B 9 -16.151 -8.135 -6.211 1.00 0.00 O ATOM 1469 CB PHE B 9 -13.193 -8.269 -6.981 1.00 0.00 C ATOM 1470 CG PHE B 9 -13.757 -7.478 -8.133 1.00 0.00 C ATOM 1471 CD1 PHE B 9 -13.614 -7.931 -9.435 1.00 0.00 C ATOM 1472 CD2 PHE B 9 -14.418 -6.276 -7.915 1.00 0.00 C ATOM 1473 CE1 PHE B 9 -14.122 -7.205 -10.498 1.00 0.00 C ATOM 1474 CE2 PHE B 9 -14.926 -5.546 -8.972 1.00 0.00 C ATOM 1475 CZ PHE B 9 -14.778 -6.011 -10.265 1.00 0.00 C ATOM 0 H PHE B 9 -15.162 -9.739 -8.220 1.00 0.00 H new ATOM 0 HA PHE B 9 -13.522 -10.003 -5.769 1.00 0.00 H new ATOM 0 HB2 PHE B 9 -12.969 -7.583 -6.164 1.00 0.00 H new ATOM 0 HB3 PHE B 9 -12.248 -8.713 -7.293 1.00 0.00 H new ATOM 0 HD1 PHE B 9 -13.100 -8.862 -9.622 1.00 0.00 H new ATOM 0 HD2 PHE B 9 -14.536 -5.908 -6.907 1.00 0.00 H new ATOM 0 HE1 PHE B 9 -14.006 -7.571 -11.508 1.00 0.00 H new ATOM 0 HE2 PHE B 9 -15.438 -4.613 -8.788 1.00 0.00 H new ATOM 0 HZ PHE B 9 -15.175 -5.442 -11.093 1.00 0.00 H new ATOM 1485 N GLU B 10 -15.311 -9.113 -4.371 1.00 0.00 N ATOM 1486 CA GLU B 10 -16.392 -8.682 -3.496 1.00 0.00 C ATOM 1487 C GLU B 10 -15.841 -7.814 -2.366 1.00 0.00 C ATOM 1488 O GLU B 10 -15.039 -8.283 -1.562 1.00 0.00 O ATOM 1489 CB GLU B 10 -17.082 -9.911 -2.902 1.00 0.00 C ATOM 1490 CG GLU B 10 -17.414 -10.982 -3.929 1.00 0.00 C ATOM 1491 CD GLU B 10 -17.802 -12.302 -3.295 1.00 0.00 C ATOM 1492 OE1 GLU B 10 -16.898 -13.113 -2.990 1.00 0.00 O ATOM 1493 OE2 GLU B 10 -19.014 -12.541 -3.107 1.00 0.00 O ATOM 0 H GLU B 10 -14.590 -9.662 -3.903 1.00 0.00 H new ATOM 0 HA GLU B 10 -17.108 -8.098 -4.075 1.00 0.00 H new ATOM 0 HB2 GLU B 10 -16.439 -10.343 -2.135 1.00 0.00 H new ATOM 0 HB3 GLU B 10 -18.001 -9.597 -2.407 1.00 0.00 H new ATOM 0 HG2 GLU B 10 -18.231 -10.633 -4.560 1.00 0.00 H new ATOM 0 HG3 GLU B 10 -16.553 -11.135 -4.579 1.00 0.00 H new ATOM 1500 N ILE B 11 -16.252 -6.556 -2.302 1.00 0.00 N ATOM 1501 CA ILE B 11 -15.783 -5.675 -1.240 1.00 0.00 C ATOM 1502 C ILE B 11 -16.486 -6.014 0.070 1.00 0.00 C ATOM 1503 O ILE B 11 -17.636 -5.624 0.295 1.00 0.00 O ATOM 1504 CB ILE B 11 -16.001 -4.182 -1.572 1.00 0.00 C ATOM 1505 CG1 ILE B 11 -15.345 -3.836 -2.912 1.00 0.00 C ATOM 1506 CG2 ILE B 11 -15.426 -3.309 -0.458 1.00 0.00 C ATOM 1507 CD1 ILE B 11 -15.571 -2.405 -3.350 1.00 0.00 C ATOM 0 H ILE B 11 -16.900 -6.126 -2.962 1.00 0.00 H new ATOM 0 HA ILE B 11 -14.710 -5.837 -1.142 1.00 0.00 H new ATOM 0 HB ILE B 11 -17.071 -3.991 -1.650 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -14.273 -4.019 -2.839 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -15.732 -4.507 -3.679 1.00 0.00 H new ATOM 0 HG21 ILE B 11 -15.584 -2.258 -0.701 1.00 0.00 H new ATOM 0 HG22 ILE B 11 -15.925 -3.543 0.482 1.00 0.00 H new ATOM 0 HG23 ILE B 11 -14.358 -3.502 -0.360 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -15.077 -2.235 -4.307 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -16.640 -2.222 -3.456 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -15.159 -1.726 -2.603 1.00 0.00 H new ATOM 1519 N GLU B 12 -15.795 -6.761 0.917 1.00 0.00 N ATOM 1520 CA GLU B 12 -16.359 -7.214 2.180 1.00 0.00 C ATOM 1521 C GLU B 12 -16.118 -6.195 3.283 1.00 0.00 C ATOM 1522 O GLU B 12 -17.043 -5.802 3.995 1.00 0.00 O ATOM 1523 CB GLU B 12 -15.742 -8.558 2.575 1.00 0.00 C ATOM 1524 CG GLU B 12 -16.089 -9.694 1.627 1.00 0.00 C ATOM 1525 CD GLU B 12 -17.558 -10.051 1.664 1.00 0.00 C ATOM 1526 OE1 GLU B 12 -17.957 -10.825 2.558 1.00 0.00 O ATOM 1527 OE2 GLU B 12 -18.321 -9.556 0.812 1.00 0.00 O ATOM 0 H GLU B 12 -14.837 -7.068 0.751 1.00 0.00 H new ATOM 0 HA GLU B 12 -17.435 -7.331 2.049 1.00 0.00 H new ATOM 0 HB2 GLU B 12 -14.658 -8.451 2.618 1.00 0.00 H new ATOM 0 HB3 GLU B 12 -16.076 -8.820 3.579 1.00 0.00 H new ATOM 0 HG2 GLU B 12 -15.812 -9.412 0.611 1.00 0.00 H new ATOM 0 HG3 GLU B 12 -15.498 -10.573 1.886 1.00 0.00 H new ATOM 1534 N GLU B 13 -14.873 -5.767 3.412 1.00 0.00 N ATOM 1535 CA GLU B 13 -14.479 -4.866 4.483 1.00 0.00 C ATOM 1536 C GLU B 13 -13.805 -3.624 3.918 1.00 0.00 C ATOM 1537 O GLU B 13 -12.849 -3.724 3.153 1.00 0.00 O ATOM 1538 CB GLU B 13 -13.531 -5.589 5.440 1.00 0.00 C ATOM 1539 CG GLU B 13 -13.128 -4.773 6.657 1.00 0.00 C ATOM 1540 CD GLU B 13 -12.104 -5.491 7.508 1.00 0.00 C ATOM 1541 OE1 GLU B 13 -10.899 -5.378 7.218 1.00 0.00 O ATOM 1542 OE2 GLU B 13 -12.498 -6.203 8.456 1.00 0.00 O ATOM 0 H GLU B 13 -14.114 -6.031 2.784 1.00 0.00 H new ATOM 0 HA GLU B 13 -15.371 -4.554 5.026 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -14.006 -6.511 5.776 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -12.632 -5.875 4.895 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -12.722 -3.815 6.333 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -14.012 -4.558 7.258 1.00 0.00 H new ATOM 1549 N HIS B 14 -14.314 -2.460 4.286 1.00 0.00 N ATOM 1550 CA HIS B 14 -13.736 -1.196 3.852 1.00 0.00 C ATOM 1551 C HIS B 14 -12.861 -0.623 4.964 1.00 0.00 C ATOM 1552 O HIS B 14 -13.333 -0.400 6.079 1.00 0.00 O ATOM 1553 CB HIS B 14 -14.853 -0.215 3.475 1.00 0.00 C ATOM 1554 CG HIS B 14 -14.366 1.129 3.018 1.00 0.00 C ATOM 1555 ND1 HIS B 14 -14.504 2.274 3.771 1.00 0.00 N ATOM 1556 CD2 HIS B 14 -13.755 1.512 1.872 1.00 0.00 C ATOM 1557 CE1 HIS B 14 -14.002 3.298 3.111 1.00 0.00 C ATOM 1558 NE2 HIS B 14 -13.540 2.866 1.954 1.00 0.00 N ATOM 0 H HIS B 14 -15.132 -2.363 4.888 1.00 0.00 H new ATOM 0 HA HIS B 14 -13.114 -1.362 2.972 1.00 0.00 H new ATOM 0 HB2 HIS B 14 -15.458 -0.658 2.684 1.00 0.00 H new ATOM 0 HB3 HIS B 14 -15.506 -0.078 4.337 1.00 0.00 H new ATOM 0 HD2 HIS B 14 -13.486 0.871 1.046 1.00 0.00 H new ATOM 0 HE1 HIS B 14 -13.974 4.320 3.459 1.00 0.00 H new ATOM 0 HE2 HIS B 14 -13.096 3.442 1.238 1.00 0.00 H new ATOM 1567 N LEU B 15 -11.588 -0.397 4.660 1.00 0.00 N ATOM 1568 CA LEU B 15 -10.637 0.057 5.668 1.00 0.00 C ATOM 1569 C LEU B 15 -10.453 1.572 5.632 1.00 0.00 C ATOM 1570 O LEU B 15 -10.912 2.279 6.523 1.00 0.00 O ATOM 1571 CB LEU B 15 -9.285 -0.638 5.478 1.00 0.00 C ATOM 1572 CG LEU B 15 -9.292 -2.154 5.699 1.00 0.00 C ATOM 1573 CD1 LEU B 15 -7.940 -2.752 5.344 1.00 0.00 C ATOM 1574 CD2 LEU B 15 -9.646 -2.477 7.142 1.00 0.00 C ATOM 0 H LEU B 15 -11.192 -0.520 3.728 1.00 0.00 H new ATOM 0 HA LEU B 15 -11.045 -0.208 6.644 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -8.930 -0.436 4.467 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -8.565 -0.191 6.164 1.00 0.00 H new ATOM 0 HG LEU B 15 -10.047 -2.592 5.046 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -7.964 -3.829 5.507 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -7.716 -2.549 4.297 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -7.169 -2.307 5.973 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -9.647 -3.558 7.283 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -8.910 -2.025 7.807 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -10.635 -2.080 7.372 1.00 0.00 H new ATOM 1586 N LEU B 16 -9.794 2.070 4.593 1.00 0.00 N ATOM 1587 CA LEU B 16 -9.424 3.479 4.537 1.00 0.00 C ATOM 1588 C LEU B 16 -9.769 4.101 3.198 1.00 0.00 C ATOM 1589 O LEU B 16 -9.719 3.437 2.165 1.00 0.00 O ATOM 1590 CB LEU B 16 -7.921 3.650 4.767 1.00 0.00 C ATOM 1591 CG LEU B 16 -7.409 3.263 6.149 1.00 0.00 C ATOM 1592 CD1 LEU B 16 -5.907 3.458 6.223 1.00 0.00 C ATOM 1593 CD2 LEU B 16 -8.097 4.087 7.219 1.00 0.00 C ATOM 0 H LEU B 16 -9.506 1.523 3.782 1.00 0.00 H new ATOM 0 HA LEU B 16 -9.990 3.981 5.322 1.00 0.00 H new ATOM 0 HB2 LEU B 16 -7.390 3.054 4.025 1.00 0.00 H new ATOM 0 HB3 LEU B 16 -7.662 4.693 4.584 1.00 0.00 H new ATOM 0 HG LEU B 16 -7.637 2.211 6.322 1.00 0.00 H new ATOM 0 HD11 LEU B 16 -5.552 3.178 7.215 1.00 0.00 H new ATOM 0 HD12 LEU B 16 -5.422 2.832 5.474 1.00 0.00 H new ATOM 0 HD13 LEU B 16 -5.666 4.504 6.033 1.00 0.00 H new ATOM 0 HD21 LEU B 16 -7.720 3.798 8.200 1.00 0.00 H new ATOM 0 HD22 LEU B 16 -7.895 5.145 7.050 1.00 0.00 H new ATOM 0 HD23 LEU B 16 -9.172 3.912 7.178 1.00 0.00 H new ATOM 1605 N THR B 17 -10.116 5.375 3.229 1.00 0.00 N ATOM 1606 CA THR B 17 -10.240 6.166 2.020 1.00 0.00 C ATOM 1607 C THR B 17 -9.050 7.115 1.930 1.00 0.00 C ATOM 1608 O THR B 17 -9.006 8.134 2.621 1.00 0.00 O ATOM 1609 CB THR B 17 -11.557 6.972 2.001 1.00 0.00 C ATOM 1610 OG1 THR B 17 -12.669 6.084 2.192 1.00 0.00 O ATOM 1611 CG2 THR B 17 -11.724 7.715 0.682 1.00 0.00 C ATOM 0 H THR B 17 -10.318 5.887 4.088 1.00 0.00 H new ATOM 0 HA THR B 17 -10.255 5.493 1.163 1.00 0.00 H new ATOM 0 HB THR B 17 -11.522 7.703 2.809 1.00 0.00 H new ATOM 0 HG1 THR B 17 -12.915 5.678 1.334 1.00 0.00 H new ATOM 0 HG21 THR B 17 -12.659 8.274 0.695 1.00 0.00 H new ATOM 0 HG22 THR B 17 -10.891 8.404 0.545 1.00 0.00 H new ATOM 0 HG23 THR B 17 -11.741 6.999 -0.139 1.00 0.00 H new ATOM 1619 N LEU B 18 -8.073 6.755 1.108 1.00 0.00 N ATOM 1620 CA LEU B 18 -6.813 7.487 1.051 1.00 0.00 C ATOM 1621 C LEU B 18 -6.991 8.858 0.426 1.00 0.00 C ATOM 1622 O LEU B 18 -6.802 9.881 1.082 1.00 0.00 O ATOM 1623 CB LEU B 18 -5.771 6.697 0.257 1.00 0.00 C ATOM 1624 CG LEU B 18 -5.419 5.325 0.826 1.00 0.00 C ATOM 1625 CD1 LEU B 18 -4.424 4.619 -0.082 1.00 0.00 C ATOM 1626 CD2 LEU B 18 -4.861 5.466 2.235 1.00 0.00 C ATOM 0 H LEU B 18 -8.128 5.960 0.471 1.00 0.00 H new ATOM 0 HA LEU B 18 -6.468 7.619 2.076 1.00 0.00 H new ATOM 0 HB2 LEU B 18 -6.137 6.567 -0.761 1.00 0.00 H new ATOM 0 HB3 LEU B 18 -4.859 7.291 0.195 1.00 0.00 H new ATOM 0 HG LEU B 18 -6.325 4.721 0.876 1.00 0.00 H new ATOM 0 HD11 LEU B 18 -4.181 3.642 0.335 1.00 0.00 H new ATOM 0 HD12 LEU B 18 -4.861 4.493 -1.072 1.00 0.00 H new ATOM 0 HD13 LEU B 18 -3.515 5.216 -0.160 1.00 0.00 H new ATOM 0 HD21 LEU B 18 -4.614 4.480 2.629 1.00 0.00 H new ATOM 0 HD22 LEU B 18 -3.962 6.082 2.210 1.00 0.00 H new ATOM 0 HD23 LEU B 18 -5.606 5.937 2.876 1.00 0.00 H new ATOM 1638 N SER B 19 -7.357 8.874 -0.844 1.00 0.00 N ATOM 1639 CA SER B 19 -7.465 10.116 -1.574 1.00 0.00 C ATOM 1640 C SER B 19 -8.437 9.977 -2.732 1.00 0.00 C ATOM 1641 O SER B 19 -8.625 8.885 -3.278 1.00 0.00 O ATOM 1642 CB SER B 19 -6.085 10.529 -2.089 1.00 0.00 C ATOM 1643 OG SER B 19 -6.131 11.760 -2.790 1.00 0.00 O ATOM 0 H SER B 19 -7.583 8.040 -1.386 1.00 0.00 H new ATOM 0 HA SER B 19 -7.845 10.886 -0.903 1.00 0.00 H new ATOM 0 HB2 SER B 19 -5.395 10.614 -1.250 1.00 0.00 H new ATOM 0 HB3 SER B 19 -5.694 9.751 -2.745 1.00 0.00 H new ATOM 0 HG SER B 19 -5.232 11.992 -3.103 1.00 0.00 H new ATOM 1649 N GLU B 20 -9.068 11.081 -3.079 1.00 0.00 N ATOM 1650 CA GLU B 20 -9.939 11.143 -4.233 1.00 0.00 C ATOM 1651 C GLU B 20 -9.207 11.910 -5.329 1.00 0.00 C ATOM 1652 O GLU B 20 -9.102 13.138 -5.274 1.00 0.00 O ATOM 1653 CB GLU B 20 -11.243 11.844 -3.836 1.00 0.00 C ATOM 1654 CG GLU B 20 -12.429 11.560 -4.743 1.00 0.00 C ATOM 1655 CD GLU B 20 -12.374 12.310 -6.055 1.00 0.00 C ATOM 1656 OE1 GLU B 20 -12.534 13.552 -6.039 1.00 0.00 O ATOM 1657 OE2 GLU B 20 -12.201 11.664 -7.102 1.00 0.00 O ATOM 0 H GLU B 20 -8.991 11.960 -2.568 1.00 0.00 H new ATOM 0 HA GLU B 20 -10.190 10.148 -4.599 1.00 0.00 H new ATOM 0 HB2 GLU B 20 -11.503 11.546 -2.820 1.00 0.00 H new ATOM 0 HB3 GLU B 20 -11.068 12.920 -3.818 1.00 0.00 H new ATOM 0 HG2 GLU B 20 -12.474 10.490 -4.946 1.00 0.00 H new ATOM 0 HG3 GLU B 20 -13.348 11.824 -4.220 1.00 0.00 H new ATOM 1664 N ASN B 21 -8.677 11.188 -6.304 1.00 0.00 N ATOM 1665 CA ASN B 21 -7.806 11.794 -7.298 1.00 0.00 C ATOM 1666 C ASN B 21 -8.423 11.737 -8.688 1.00 0.00 C ATOM 1667 O ASN B 21 -9.264 10.884 -8.978 1.00 0.00 O ATOM 1668 CB ASN B 21 -6.422 11.123 -7.293 1.00 0.00 C ATOM 1669 CG ASN B 21 -6.460 9.653 -7.672 1.00 0.00 C ATOM 1670 OD1 ASN B 21 -6.617 8.780 -6.817 1.00 0.00 O ATOM 1671 ND2 ASN B 21 -6.298 9.369 -8.955 1.00 0.00 N ATOM 0 H ASN B 21 -8.834 10.188 -6.428 1.00 0.00 H new ATOM 0 HA ASN B 21 -7.683 12.844 -7.031 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -5.768 11.652 -7.986 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -5.982 11.223 -6.301 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -6.300 8.398 -9.267 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -6.171 10.121 -9.632 1.00 0.00 H new ATOM 1678 N GLU B 22 -8.023 12.692 -9.528 1.00 0.00 N ATOM 1679 CA GLU B 22 -8.484 12.781 -10.913 1.00 0.00 C ATOM 1680 C GLU B 22 -9.989 13.062 -10.969 1.00 0.00 C ATOM 1681 O GLU B 22 -10.592 13.079 -12.044 1.00 0.00 O ATOM 1682 CB GLU B 22 -8.138 11.493 -11.666 1.00 0.00 C ATOM 1683 CG GLU B 22 -7.993 11.678 -13.165 1.00 0.00 C ATOM 1684 CD GLU B 22 -6.826 12.572 -13.538 1.00 0.00 C ATOM 1685 OE1 GLU B 22 -5.898 12.731 -12.712 1.00 0.00 O ATOM 1686 OE2 GLU B 22 -6.815 13.104 -14.666 1.00 0.00 O ATOM 0 H GLU B 22 -7.368 13.428 -9.266 1.00 0.00 H new ATOM 0 HA GLU B 22 -7.973 13.613 -11.398 1.00 0.00 H new ATOM 0 HB2 GLU B 22 -7.207 11.090 -11.268 1.00 0.00 H new ATOM 0 HB3 GLU B 22 -8.914 10.752 -11.475 1.00 0.00 H new ATOM 0 HG2 GLU B 22 -7.863 10.703 -13.636 1.00 0.00 H new ATOM 0 HG3 GLU B 22 -8.913 12.104 -13.564 1.00 0.00 H new ATOM 1693 N LYS B 23 -10.567 13.292 -9.789 1.00 0.00 N ATOM 1694 CA LYS B 23 -11.985 13.577 -9.625 1.00 0.00 C ATOM 1695 C LYS B 23 -12.847 12.524 -10.308 1.00 0.00 C ATOM 1696 O LYS B 23 -13.308 12.693 -11.442 1.00 0.00 O ATOM 1697 CB LYS B 23 -12.305 14.989 -10.105 1.00 0.00 C ATOM 1698 CG LYS B 23 -11.452 16.034 -9.405 1.00 0.00 C ATOM 1699 CD LYS B 23 -11.948 17.444 -9.654 1.00 0.00 C ATOM 1700 CE LYS B 23 -11.059 18.468 -8.967 1.00 0.00 C ATOM 1701 NZ LYS B 23 -10.947 18.219 -7.505 1.00 0.00 N ATOM 0 H LYS B 23 -10.051 13.284 -8.909 1.00 0.00 H new ATOM 0 HA LYS B 23 -12.225 13.530 -8.563 1.00 0.00 H new ATOM 0 HB2 LYS B 23 -12.144 15.051 -11.181 1.00 0.00 H new ATOM 0 HB3 LYS B 23 -13.359 15.203 -9.927 1.00 0.00 H new ATOM 0 HG2 LYS B 23 -11.448 15.837 -8.333 1.00 0.00 H new ATOM 0 HG3 LYS B 23 -10.421 15.948 -9.749 1.00 0.00 H new ATOM 0 HD2 LYS B 23 -11.972 17.640 -10.726 1.00 0.00 H new ATOM 0 HD3 LYS B 23 -12.970 17.543 -9.289 1.00 0.00 H new ATOM 0 HE2 LYS B 23 -10.066 18.445 -9.416 1.00 0.00 H new ATOM 0 HE3 LYS B 23 -11.461 19.467 -9.135 1.00 0.00 H new ATOM 0 HZ1 LYS B 23 -10.539 19.055 -7.041 1.00 0.00 H new ATOM 0 HZ2 LYS B 23 -11.891 18.031 -7.112 1.00 0.00 H new ATOM 0 HZ3 LYS B 23 -10.333 17.396 -7.339 1.00 0.00 H new ATOM 1715 N GLY B 24 -13.030 11.422 -9.605 1.00 0.00 N ATOM 1716 CA GLY B 24 -13.752 10.291 -10.139 1.00 0.00 C ATOM 1717 C GLY B 24 -13.019 8.998 -9.867 1.00 0.00 C ATOM 1718 O GLY B 24 -13.629 7.935 -9.771 1.00 0.00 O ATOM 0 H GLY B 24 -12.684 11.289 -8.655 1.00 0.00 H new ATOM 0 HA2 GLY B 24 -14.747 10.249 -9.695 1.00 0.00 H new ATOM 0 HA3 GLY B 24 -13.887 10.417 -11.213 1.00 0.00 H new ATOM 1722 N TRP B 25 -11.704 9.098 -9.722 1.00 0.00 N ATOM 1723 CA TRP B 25 -10.868 7.934 -9.482 1.00 0.00 C ATOM 1724 C TRP B 25 -10.457 7.886 -8.018 1.00 0.00 C ATOM 1725 O TRP B 25 -9.486 8.517 -7.611 1.00 0.00 O ATOM 1726 CB TRP B 25 -9.635 7.964 -10.395 1.00 0.00 C ATOM 1727 CG TRP B 25 -9.966 7.772 -11.846 1.00 0.00 C ATOM 1728 CD1 TRP B 25 -10.766 8.562 -12.621 1.00 0.00 C ATOM 1729 CD2 TRP B 25 -9.494 6.724 -12.701 1.00 0.00 C ATOM 1730 NE1 TRP B 25 -10.845 8.052 -13.894 1.00 0.00 N ATOM 1731 CE2 TRP B 25 -10.069 6.928 -13.970 1.00 0.00 C ATOM 1732 CE3 TRP B 25 -8.648 5.628 -12.514 1.00 0.00 C ATOM 1733 CZ2 TRP B 25 -9.825 6.078 -15.046 1.00 0.00 C ATOM 1734 CZ3 TRP B 25 -8.408 4.786 -13.584 1.00 0.00 C ATOM 1735 CH2 TRP B 25 -8.993 5.015 -14.834 1.00 0.00 C ATOM 0 H TRP B 25 -11.193 9.980 -9.767 1.00 0.00 H new ATOM 0 HA TRP B 25 -11.437 7.033 -9.713 1.00 0.00 H new ATOM 0 HB2 TRP B 25 -9.122 8.917 -10.270 1.00 0.00 H new ATOM 0 HB3 TRP B 25 -8.940 7.185 -10.082 1.00 0.00 H new ATOM 0 HD1 TRP B 25 -11.264 9.458 -12.282 1.00 0.00 H new ATOM 0 HE1 TRP B 25 -11.393 8.447 -14.658 1.00 0.00 H new ATOM 0 HE3 TRP B 25 -8.191 5.442 -11.553 1.00 0.00 H new ATOM 0 HZ2 TRP B 25 -10.276 6.252 -16.012 1.00 0.00 H new ATOM 0 HZ3 TRP B 25 -7.756 3.935 -13.452 1.00 0.00 H new ATOM 0 HH2 TRP B 25 -8.783 4.338 -15.648 1.00 0.00 H new ATOM 1746 N THR B 26 -11.218 7.160 -7.222 1.00 0.00 N ATOM 1747 CA THR B 26 -10.959 7.094 -5.797 1.00 0.00 C ATOM 1748 C THR B 26 -9.954 5.987 -5.495 1.00 0.00 C ATOM 1749 O THR B 26 -10.047 4.889 -6.041 1.00 0.00 O ATOM 1750 CB THR B 26 -12.259 6.832 -5.016 1.00 0.00 C ATOM 1751 OG1 THR B 26 -13.337 7.574 -5.603 1.00 0.00 O ATOM 1752 CG2 THR B 26 -12.110 7.233 -3.557 1.00 0.00 C ATOM 0 H THR B 26 -12.017 6.610 -7.536 1.00 0.00 H new ATOM 0 HA THR B 26 -10.548 8.054 -5.484 1.00 0.00 H new ATOM 0 HB THR B 26 -12.473 5.764 -5.064 1.00 0.00 H new ATOM 0 HG1 THR B 26 -14.152 7.030 -5.593 1.00 0.00 H new ATOM 0 HG21 THR B 26 -13.043 7.037 -3.029 1.00 0.00 H new ATOM 0 HG22 THR B 26 -11.307 6.655 -3.101 1.00 0.00 H new ATOM 0 HG23 THR B 26 -11.873 8.295 -3.494 1.00 0.00 H new ATOM 1760 N LYS B 27 -9.007 6.275 -4.617 1.00 0.00 N ATOM 1761 CA LYS B 27 -7.994 5.306 -4.242 1.00 0.00 C ATOM 1762 C LYS B 27 -8.123 4.993 -2.758 1.00 0.00 C ATOM 1763 O LYS B 27 -7.950 5.872 -1.909 1.00 0.00 O ATOM 1764 CB LYS B 27 -6.607 5.857 -4.577 1.00 0.00 C ATOM 1765 CG LYS B 27 -5.466 4.874 -4.377 1.00 0.00 C ATOM 1766 CD LYS B 27 -4.199 5.359 -5.069 1.00 0.00 C ATOM 1767 CE LYS B 27 -3.808 6.752 -4.602 1.00 0.00 C ATOM 1768 NZ LYS B 27 -2.622 7.281 -5.331 1.00 0.00 N ATOM 0 H LYS B 27 -8.920 7.177 -4.149 1.00 0.00 H new ATOM 0 HA LYS B 27 -8.133 4.381 -4.802 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -6.604 6.189 -5.615 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -6.422 6.737 -3.961 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -5.276 4.744 -3.312 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -5.749 3.898 -4.771 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -3.384 4.664 -4.867 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -4.352 5.365 -6.148 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -4.650 7.430 -4.743 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -3.594 6.728 -3.534 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -2.028 7.829 -4.676 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -2.070 6.489 -5.718 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -2.938 7.895 -6.109 1.00 0.00 H new ATOM 1782 N GLU B 28 -8.447 3.746 -2.446 1.00 0.00 N ATOM 1783 CA GLU B 28 -8.782 3.365 -1.083 1.00 0.00 C ATOM 1784 C GLU B 28 -8.090 2.070 -0.673 1.00 0.00 C ATOM 1785 O GLU B 28 -7.487 1.373 -1.496 1.00 0.00 O ATOM 1786 CB GLU B 28 -10.298 3.199 -0.939 1.00 0.00 C ATOM 1787 CG GLU B 28 -11.091 4.463 -1.240 1.00 0.00 C ATOM 1788 CD GLU B 28 -12.581 4.275 -1.057 1.00 0.00 C ATOM 1789 OE1 GLU B 28 -13.248 3.804 -1.998 1.00 0.00 O ATOM 1790 OE2 GLU B 28 -13.094 4.597 0.035 1.00 0.00 O ATOM 0 H GLU B 28 -8.485 2.981 -3.120 1.00 0.00 H new ATOM 0 HA GLU B 28 -8.433 4.161 -0.426 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -10.631 2.405 -1.608 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -10.523 2.875 0.077 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -10.748 5.266 -0.588 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -10.892 4.777 -2.265 1.00 0.00 H new ATOM 1797 N ILE B 29 -8.193 1.762 0.613 1.00 0.00 N ATOM 1798 CA ILE B 29 -7.679 0.518 1.163 1.00 0.00 C ATOM 1799 C ILE B 29 -8.839 -0.283 1.734 1.00 0.00 C ATOM 1800 O ILE B 29 -9.710 0.273 2.409 1.00 0.00 O ATOM 1801 CB ILE B 29 -6.632 0.764 2.276 1.00 0.00 C ATOM 1802 CG1 ILE B 29 -5.459 1.583 1.734 1.00 0.00 C ATOM 1803 CG2 ILE B 29 -6.134 -0.557 2.851 1.00 0.00 C ATOM 1804 CD1 ILE B 29 -4.391 1.869 2.766 1.00 0.00 C ATOM 0 H ILE B 29 -8.636 2.369 1.303 1.00 0.00 H new ATOM 0 HA ILE B 29 -7.186 -0.029 0.360 1.00 0.00 H new ATOM 0 HB ILE B 29 -7.111 1.328 3.076 1.00 0.00 H new ATOM 0 HG12 ILE B 29 -5.010 1.048 0.897 1.00 0.00 H new ATOM 0 HG13 ILE B 29 -5.837 2.528 1.343 1.00 0.00 H new ATOM 0 HG21 ILE B 29 -5.399 -0.360 3.631 1.00 0.00 H new ATOM 0 HG22 ILE B 29 -6.973 -1.109 3.274 1.00 0.00 H new ATOM 0 HG23 ILE B 29 -5.673 -1.148 2.059 1.00 0.00 H new ATOM 0 HD11 ILE B 29 -3.592 2.453 2.310 1.00 0.00 H new ATOM 0 HD12 ILE B 29 -4.825 2.431 3.593 1.00 0.00 H new ATOM 0 HD13 ILE B 29 -3.985 0.929 3.140 1.00 0.00 H new ATOM 1816 N ASN B 30 -8.859 -1.579 1.469 1.00 0.00 N ATOM 1817 CA ASN B 30 -9.963 -2.426 1.905 1.00 0.00 C ATOM 1818 C ASN B 30 -9.572 -3.893 1.813 1.00 0.00 C ATOM 1819 O ASN B 30 -8.411 -4.211 1.548 1.00 0.00 O ATOM 1820 CB ASN B 30 -11.225 -2.152 1.063 1.00 0.00 C ATOM 1821 CG ASN B 30 -11.136 -2.671 -0.365 1.00 0.00 C ATOM 1822 OD1 ASN B 30 -12.143 -3.069 -0.949 1.00 0.00 O ATOM 1823 ND2 ASN B 30 -9.948 -2.649 -0.940 1.00 0.00 N ATOM 0 H ASN B 30 -8.126 -2.069 0.956 1.00 0.00 H new ATOM 0 HA ASN B 30 -10.188 -2.190 2.945 1.00 0.00 H new ATOM 0 HB2 ASN B 30 -12.084 -2.610 1.553 1.00 0.00 H new ATOM 0 HB3 ASN B 30 -11.408 -1.078 1.038 1.00 0.00 H new ATOM 0 HD21 ASN B 30 -9.841 -2.969 -1.902 1.00 0.00 H new ATOM 0 HD22 ASN B 30 -9.137 -2.311 -0.422 1.00 0.00 H new ATOM 1830 N ARG B 31 -10.526 -4.776 2.068 1.00 0.00 N ATOM 1831 CA ARG B 31 -10.307 -6.201 1.906 1.00 0.00 C ATOM 1832 C ARG B 31 -11.361 -6.801 0.988 1.00 0.00 C ATOM 1833 O ARG B 31 -12.554 -6.823 1.317 1.00 0.00 O ATOM 1834 CB ARG B 31 -10.309 -6.923 3.253 1.00 0.00 C ATOM 1835 CG ARG B 31 -9.100 -6.606 4.115 1.00 0.00 C ATOM 1836 CD ARG B 31 -8.925 -7.625 5.227 1.00 0.00 C ATOM 1837 NE ARG B 31 -10.038 -7.627 6.168 1.00 0.00 N ATOM 1838 CZ ARG B 31 -10.681 -8.723 6.563 1.00 0.00 C ATOM 1839 NH1 ARG B 31 -10.353 -9.908 6.057 1.00 0.00 N ATOM 1840 NH2 ARG B 31 -11.653 -8.633 7.463 1.00 0.00 N ATOM 0 H ARG B 31 -11.462 -4.527 2.389 1.00 0.00 H new ATOM 0 HA ARG B 31 -9.325 -6.335 1.453 1.00 0.00 H new ATOM 0 HB2 ARG B 31 -11.214 -6.654 3.798 1.00 0.00 H new ATOM 0 HB3 ARG B 31 -10.349 -7.998 3.079 1.00 0.00 H new ATOM 0 HG2 ARG B 31 -8.204 -6.587 3.494 1.00 0.00 H new ATOM 0 HG3 ARG B 31 -9.210 -5.611 4.546 1.00 0.00 H new ATOM 0 HD2 ARG B 31 -8.821 -8.619 4.791 1.00 0.00 H new ATOM 0 HD3 ARG B 31 -8.000 -7.415 5.765 1.00 0.00 H new ATOM 0 HE ARG B 31 -10.344 -6.731 6.548 1.00 0.00 H new ATOM 0 HH11 ARG B 31 -9.607 -9.978 5.365 1.00 0.00 H new ATOM 0 HH12 ARG B 31 -10.847 -10.747 6.361 1.00 0.00 H new ATOM 0 HH21 ARG B 31 -11.906 -7.724 7.851 1.00 0.00 H new ATOM 0 HH22 ARG B 31 -12.146 -9.473 7.766 1.00 0.00 H new ATOM 1854 N VAL B 32 -10.917 -7.270 -0.165 1.00 0.00 N ATOM 1855 CA VAL B 32 -11.804 -7.841 -1.163 1.00 0.00 C ATOM 1856 C VAL B 32 -11.789 -9.372 -1.131 1.00 0.00 C ATOM 1857 O VAL B 32 -10.740 -10.003 -0.991 1.00 0.00 O ATOM 1858 CB VAL B 32 -11.437 -7.341 -2.579 1.00 0.00 C ATOM 1859 CG1 VAL B 32 -12.207 -8.097 -3.650 1.00 0.00 C ATOM 1860 CG2 VAL B 32 -11.706 -5.848 -2.700 1.00 0.00 C ATOM 0 H VAL B 32 -9.933 -7.266 -0.435 1.00 0.00 H new ATOM 0 HA VAL B 32 -12.813 -7.508 -0.919 1.00 0.00 H new ATOM 0 HB VAL B 32 -10.374 -7.526 -2.731 1.00 0.00 H new ATOM 0 HG11 VAL B 32 -11.926 -7.721 -4.634 1.00 0.00 H new ATOM 0 HG12 VAL B 32 -11.971 -9.159 -3.586 1.00 0.00 H new ATOM 0 HG13 VAL B 32 -13.277 -7.953 -3.499 1.00 0.00 H new ATOM 0 HG21 VAL B 32 -11.443 -5.511 -3.703 1.00 0.00 H new ATOM 0 HG22 VAL B 32 -12.763 -5.653 -2.517 1.00 0.00 H new ATOM 0 HG23 VAL B 32 -11.106 -5.310 -1.967 1.00 0.00 H new ATOM 1870 N SER B 33 -12.977 -9.947 -1.237 1.00 0.00 N ATOM 1871 CA SER B 33 -13.155 -11.380 -1.363 1.00 0.00 C ATOM 1872 C SER B 33 -12.951 -11.785 -2.821 1.00 0.00 C ATOM 1873 O SER B 33 -13.678 -11.331 -3.704 1.00 0.00 O ATOM 1874 CB SER B 33 -14.567 -11.748 -0.888 1.00 0.00 C ATOM 1875 OG SER B 33 -14.877 -13.109 -1.130 1.00 0.00 O ATOM 0 H SER B 33 -13.852 -9.424 -1.238 1.00 0.00 H new ATOM 0 HA SER B 33 -12.426 -11.911 -0.750 1.00 0.00 H new ATOM 0 HB2 SER B 33 -14.655 -11.542 0.179 1.00 0.00 H new ATOM 0 HB3 SER B 33 -15.295 -11.116 -1.396 1.00 0.00 H new ATOM 0 HG SER B 33 -15.542 -13.171 -1.848 1.00 0.00 H new ATOM 1881 N PHE B 34 -11.948 -12.617 -3.077 1.00 0.00 N ATOM 1882 CA PHE B 34 -11.649 -13.049 -4.434 1.00 0.00 C ATOM 1883 C PHE B 34 -12.095 -14.486 -4.635 1.00 0.00 C ATOM 1884 O PHE B 34 -11.456 -15.415 -4.141 1.00 0.00 O ATOM 1885 CB PHE B 34 -10.156 -12.914 -4.735 1.00 0.00 C ATOM 1886 CG PHE B 34 -9.666 -11.494 -4.735 1.00 0.00 C ATOM 1887 CD1 PHE B 34 -9.899 -10.669 -5.822 1.00 0.00 C ATOM 1888 CD2 PHE B 34 -8.971 -10.987 -3.650 1.00 0.00 C ATOM 1889 CE1 PHE B 34 -9.446 -9.365 -5.830 1.00 0.00 C ATOM 1890 CE2 PHE B 34 -8.515 -9.684 -3.651 1.00 0.00 C ATOM 1891 CZ PHE B 34 -8.754 -8.871 -4.741 1.00 0.00 C ATOM 0 H PHE B 34 -11.330 -13.004 -2.364 1.00 0.00 H new ATOM 0 HA PHE B 34 -12.195 -12.406 -5.125 1.00 0.00 H new ATOM 0 HB2 PHE B 34 -9.592 -13.483 -3.996 1.00 0.00 H new ATOM 0 HB3 PHE B 34 -9.949 -13.361 -5.707 1.00 0.00 H new ATOM 0 HD1 PHE B 34 -10.442 -11.050 -6.674 1.00 0.00 H new ATOM 0 HD2 PHE B 34 -8.784 -11.618 -2.794 1.00 0.00 H new ATOM 0 HE1 PHE B 34 -9.632 -8.733 -6.685 1.00 0.00 H new ATOM 0 HE2 PHE B 34 -7.972 -9.301 -2.800 1.00 0.00 H new ATOM 0 HZ PHE B 34 -8.401 -7.850 -4.742 1.00 0.00 H new ATOM 1901 N ASN B 35 -13.201 -14.655 -5.355 1.00 0.00 N ATOM 1902 CA ASN B 35 -13.807 -15.973 -5.579 1.00 0.00 C ATOM 1903 C ASN B 35 -14.290 -16.570 -4.260 1.00 0.00 C ATOM 1904 O ASN B 35 -14.589 -17.763 -4.172 1.00 0.00 O ATOM 1905 CB ASN B 35 -12.826 -16.941 -6.262 1.00 0.00 C ATOM 1906 CG ASN B 35 -12.352 -16.456 -7.621 1.00 0.00 C ATOM 1907 OD1 ASN B 35 -13.026 -16.653 -8.631 1.00 0.00 O ATOM 1908 ND2 ASN B 35 -11.176 -15.847 -7.663 1.00 0.00 N ATOM 0 H ASN B 35 -13.704 -13.887 -5.800 1.00 0.00 H new ATOM 0 HA ASN B 35 -14.659 -15.831 -6.244 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -11.962 -17.088 -5.615 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -13.306 -17.913 -6.378 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -10.801 -15.524 -8.555 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -10.646 -15.702 -6.804 1.00 0.00 H new ATOM 1915 N GLY B 36 -14.396 -15.721 -3.247 1.00 0.00 N ATOM 1916 CA GLY B 36 -14.727 -16.177 -1.918 1.00 0.00 C ATOM 1917 C GLY B 36 -13.514 -16.154 -1.018 1.00 0.00 C ATOM 1918 O GLY B 36 -12.623 -15.322 -1.207 1.00 0.00 O ATOM 0 H GLY B 36 -14.256 -14.714 -3.327 1.00 0.00 H new ATOM 0 HA2 GLY B 36 -15.508 -15.544 -1.497 1.00 0.00 H new ATOM 0 HA3 GLY B 36 -15.128 -17.189 -1.967 1.00 0.00 H new ATOM 1922 N ALA B 37 -13.480 -17.070 -0.049 1.00 0.00 N ATOM 1923 CA ALA B 37 -12.349 -17.200 0.876 1.00 0.00 C ATOM 1924 C ALA B 37 -12.230 -15.972 1.790 1.00 0.00 C ATOM 1925 O ALA B 37 -12.962 -14.994 1.623 1.00 0.00 O ATOM 1926 CB ALA B 37 -11.058 -17.432 0.093 1.00 0.00 C ATOM 0 H ALA B 37 -14.231 -17.740 0.118 1.00 0.00 H new ATOM 0 HA ALA B 37 -12.527 -18.063 1.518 1.00 0.00 H new ATOM 0 HB1 ALA B 37 -10.223 -17.527 0.788 1.00 0.00 H new ATOM 0 HB2 ALA B 37 -11.148 -18.346 -0.494 1.00 0.00 H new ATOM 0 HB3 ALA B 37 -10.880 -16.588 -0.574 1.00 0.00 H new ATOM 1932 N PRO B 38 -11.346 -16.021 2.807 1.00 0.00 N ATOM 1933 CA PRO B 38 -11.067 -14.857 3.655 1.00 0.00 C ATOM 1934 C PRO B 38 -10.600 -13.655 2.837 1.00 0.00 C ATOM 1935 O PRO B 38 -9.642 -13.752 2.066 1.00 0.00 O ATOM 1936 CB PRO B 38 -9.952 -15.342 4.581 1.00 0.00 C ATOM 1937 CG PRO B 38 -10.095 -16.824 4.605 1.00 0.00 C ATOM 1938 CD PRO B 38 -10.583 -17.208 3.238 1.00 0.00 C ATOM 0 HA PRO B 38 -11.955 -14.517 4.188 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -8.972 -15.045 4.209 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -10.055 -14.918 5.580 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -9.143 -17.305 4.830 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -10.801 -17.137 5.375 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -9.756 -17.423 2.561 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -11.209 -18.100 3.270 1.00 0.00 H new ATOM 1946 N ALA B 39 -11.295 -12.533 3.010 1.00 0.00 N ATOM 1947 CA ALA B 39 -11.026 -11.316 2.252 1.00 0.00 C ATOM 1948 C ALA B 39 -9.559 -10.906 2.336 1.00 0.00 C ATOM 1949 O ALA B 39 -9.005 -10.735 3.428 1.00 0.00 O ATOM 1950 CB ALA B 39 -11.922 -10.188 2.740 1.00 0.00 C ATOM 0 H ALA B 39 -12.060 -12.443 3.679 1.00 0.00 H new ATOM 0 HA ALA B 39 -11.246 -11.522 1.205 1.00 0.00 H new ATOM 0 HB1 ALA B 39 -11.713 -9.284 2.168 1.00 0.00 H new ATOM 0 HB2 ALA B 39 -12.967 -10.469 2.606 1.00 0.00 H new ATOM 0 HB3 ALA B 39 -11.729 -10.001 3.796 1.00 0.00 H new ATOM 1956 N LYS B 40 -8.944 -10.744 1.172 1.00 0.00 N ATOM 1957 CA LYS B 40 -7.534 -10.399 1.077 1.00 0.00 C ATOM 1958 C LYS B 40 -7.373 -8.884 1.155 1.00 0.00 C ATOM 1959 O LYS B 40 -8.282 -8.150 0.785 1.00 0.00 O ATOM 1960 CB LYS B 40 -6.963 -10.922 -0.249 1.00 0.00 C ATOM 1961 CG LYS B 40 -5.439 -10.901 -0.348 1.00 0.00 C ATOM 1962 CD LYS B 40 -4.806 -12.145 0.270 1.00 0.00 C ATOM 1963 CE LYS B 40 -4.803 -12.100 1.790 1.00 0.00 C ATOM 1964 NZ LYS B 40 -4.410 -13.407 2.384 1.00 0.00 N ATOM 0 H LYS B 40 -9.408 -10.848 0.270 1.00 0.00 H new ATOM 0 HA LYS B 40 -6.990 -10.858 1.903 1.00 0.00 H new ATOM 0 HB2 LYS B 40 -7.308 -11.945 -0.397 1.00 0.00 H new ATOM 0 HB3 LYS B 40 -7.373 -10.326 -1.064 1.00 0.00 H new ATOM 0 HG2 LYS B 40 -5.145 -10.827 -1.395 1.00 0.00 H new ATOM 0 HG3 LYS B 40 -5.056 -10.012 0.154 1.00 0.00 H new ATOM 0 HD2 LYS B 40 -5.349 -13.029 -0.063 1.00 0.00 H new ATOM 0 HD3 LYS B 40 -3.782 -12.245 -0.090 1.00 0.00 H new ATOM 0 HE2 LYS B 40 -4.115 -11.326 2.129 1.00 0.00 H new ATOM 0 HE3 LYS B 40 -5.795 -11.823 2.147 1.00 0.00 H new ATOM 0 HZ1 LYS B 40 -4.420 -13.334 3.421 1.00 0.00 H new ATOM 0 HZ2 LYS B 40 -5.081 -14.142 2.082 1.00 0.00 H new ATOM 0 HZ3 LYS B 40 -3.453 -13.660 2.064 1.00 0.00 H new ATOM 1978 N PHE B 41 -6.230 -8.423 1.636 1.00 0.00 N ATOM 1979 CA PHE B 41 -5.974 -6.994 1.745 1.00 0.00 C ATOM 1980 C PHE B 41 -5.544 -6.450 0.390 1.00 0.00 C ATOM 1981 O PHE B 41 -4.649 -7.006 -0.247 1.00 0.00 O ATOM 1982 CB PHE B 41 -4.876 -6.722 2.783 1.00 0.00 C ATOM 1983 CG PHE B 41 -5.189 -7.222 4.171 1.00 0.00 C ATOM 1984 CD1 PHE B 41 -5.170 -8.581 4.457 1.00 0.00 C ATOM 1985 CD2 PHE B 41 -5.486 -6.333 5.191 1.00 0.00 C ATOM 1986 CE1 PHE B 41 -5.446 -9.039 5.730 1.00 0.00 C ATOM 1987 CE2 PHE B 41 -5.762 -6.789 6.465 1.00 0.00 C ATOM 1988 CZ PHE B 41 -5.743 -8.143 6.736 1.00 0.00 C ATOM 0 H PHE B 41 -5.465 -9.016 1.957 1.00 0.00 H new ATOM 0 HA PHE B 41 -6.889 -6.496 2.067 1.00 0.00 H new ATOM 0 HB2 PHE B 41 -3.950 -7.186 2.444 1.00 0.00 H new ATOM 0 HB3 PHE B 41 -4.696 -5.648 2.830 1.00 0.00 H new ATOM 0 HD1 PHE B 41 -4.937 -9.288 3.674 1.00 0.00 H new ATOM 0 HD2 PHE B 41 -5.502 -5.272 4.988 1.00 0.00 H new ATOM 0 HE1 PHE B 41 -5.429 -10.099 5.938 1.00 0.00 H new ATOM 0 HE2 PHE B 41 -5.993 -6.085 7.251 1.00 0.00 H new ATOM 0 HZ PHE B 41 -5.960 -8.499 7.732 1.00 0.00 H new ATOM 1998 N ASP B 42 -6.186 -5.387 -0.063 1.00 0.00 N ATOM 1999 CA ASP B 42 -5.824 -4.785 -1.339 1.00 0.00 C ATOM 2000 C ASP B 42 -5.833 -3.263 -1.259 1.00 0.00 C ATOM 2001 O ASP B 42 -6.722 -2.654 -0.657 1.00 0.00 O ATOM 2002 CB ASP B 42 -6.756 -5.265 -2.465 1.00 0.00 C ATOM 2003 CG ASP B 42 -8.200 -4.843 -2.276 1.00 0.00 C ATOM 2004 OD1 ASP B 42 -8.883 -5.428 -1.411 1.00 0.00 O ATOM 2005 OD2 ASP B 42 -8.663 -3.935 -3.009 1.00 0.00 O ATOM 0 H ASP B 42 -6.953 -4.925 0.426 1.00 0.00 H new ATOM 0 HA ASP B 42 -4.809 -5.107 -1.571 1.00 0.00 H new ATOM 0 HB2 ASP B 42 -6.394 -4.876 -3.416 1.00 0.00 H new ATOM 0 HB3 ASP B 42 -6.709 -6.352 -2.526 1.00 0.00 H new ATOM 2010 N ILE B 43 -4.806 -2.659 -1.842 1.00 0.00 N ATOM 2011 CA ILE B 43 -4.716 -1.212 -1.952 1.00 0.00 C ATOM 2012 C ILE B 43 -4.738 -0.827 -3.425 1.00 0.00 C ATOM 2013 O ILE B 43 -3.804 -1.147 -4.167 1.00 0.00 O ATOM 2014 CB ILE B 43 -3.424 -0.669 -1.305 1.00 0.00 C ATOM 2015 CG1 ILE B 43 -3.288 -1.182 0.134 1.00 0.00 C ATOM 2016 CG2 ILE B 43 -3.417 0.856 -1.330 1.00 0.00 C ATOM 2017 CD1 ILE B 43 -1.999 -0.775 0.814 1.00 0.00 C ATOM 0 H ILE B 43 -4.015 -3.158 -2.250 1.00 0.00 H new ATOM 0 HA ILE B 43 -5.565 -0.776 -1.425 1.00 0.00 H new ATOM 0 HB ILE B 43 -2.571 -1.028 -1.881 1.00 0.00 H new ATOM 0 HG12 ILE B 43 -4.129 -0.813 0.721 1.00 0.00 H new ATOM 0 HG13 ILE B 43 -3.356 -2.270 0.129 1.00 0.00 H new ATOM 0 HG21 ILE B 43 -2.500 1.223 -0.870 1.00 0.00 H new ATOM 0 HG22 ILE B 43 -3.470 1.203 -2.362 1.00 0.00 H new ATOM 0 HG23 ILE B 43 -4.277 1.233 -0.776 1.00 0.00 H new ATOM 0 HD11 ILE B 43 -1.980 -1.177 1.827 1.00 0.00 H new ATOM 0 HD12 ILE B 43 -1.151 -1.167 0.252 1.00 0.00 H new ATOM 0 HD13 ILE B 43 -1.936 0.312 0.854 1.00 0.00 H new ATOM 2029 N ARG B 44 -5.800 -0.159 -3.850 1.00 0.00 N ATOM 2030 CA ARG B 44 -5.975 0.157 -5.261 1.00 0.00 C ATOM 2031 C ARG B 44 -7.001 1.262 -5.467 1.00 0.00 C ATOM 2032 O ARG B 44 -7.611 1.743 -4.513 1.00 0.00 O ATOM 2033 CB ARG B 44 -6.372 -1.106 -6.048 1.00 0.00 C ATOM 2034 CG ARG B 44 -7.417 -1.979 -5.360 1.00 0.00 C ATOM 2035 CD ARG B 44 -8.794 -1.336 -5.346 1.00 0.00 C ATOM 2036 NE ARG B 44 -9.746 -2.119 -4.565 1.00 0.00 N ATOM 2037 CZ ARG B 44 -11.054 -1.880 -4.517 1.00 0.00 C ATOM 2038 NH1 ARG B 44 -11.575 -0.874 -5.217 1.00 0.00 N ATOM 2039 NH2 ARG B 44 -11.838 -2.641 -3.767 1.00 0.00 N ATOM 0 H ARG B 44 -6.550 0.173 -3.243 1.00 0.00 H new ATOM 0 HA ARG B 44 -5.021 0.523 -5.640 1.00 0.00 H new ATOM 0 HB2 ARG B 44 -6.754 -0.805 -7.024 1.00 0.00 H new ATOM 0 HB3 ARG B 44 -5.478 -1.704 -6.226 1.00 0.00 H new ATOM 0 HG2 ARG B 44 -7.474 -2.941 -5.869 1.00 0.00 H new ATOM 0 HG3 ARG B 44 -7.102 -2.178 -4.336 1.00 0.00 H new ATOM 0 HD2 ARG B 44 -8.722 -0.331 -4.931 1.00 0.00 H new ATOM 0 HD3 ARG B 44 -9.159 -1.234 -6.368 1.00 0.00 H new ATOM 0 HE ARG B 44 -9.385 -2.902 -4.020 1.00 0.00 H new ATOM 0 HH11 ARG B 44 -10.971 -0.286 -5.791 1.00 0.00 H new ATOM 0 HH12 ARG B 44 -12.578 -0.692 -5.179 1.00 0.00 H new ATOM 0 HH21 ARG B 44 -11.439 -3.409 -3.227 1.00 0.00 H new ATOM 0 HH22 ARG B 44 -12.841 -2.459 -3.729 1.00 0.00 H new ATOM 2053 N ALA B 45 -7.189 1.652 -6.718 1.00 0.00 N ATOM 2054 CA ALA B 45 -8.137 2.701 -7.058 1.00 0.00 C ATOM 2055 C ALA B 45 -9.285 2.148 -7.894 1.00 0.00 C ATOM 2056 O ALA B 45 -9.143 1.115 -8.552 1.00 0.00 O ATOM 2057 CB ALA B 45 -7.434 3.825 -7.807 1.00 0.00 C ATOM 0 H ALA B 45 -6.695 1.256 -7.518 1.00 0.00 H new ATOM 0 HA ALA B 45 -8.551 3.099 -6.131 1.00 0.00 H new ATOM 0 HB1 ALA B 45 -8.155 4.604 -8.055 1.00 0.00 H new ATOM 0 HB2 ALA B 45 -6.648 4.245 -7.179 1.00 0.00 H new ATOM 0 HB3 ALA B 45 -6.994 3.432 -8.724 1.00 0.00 H new ATOM 2063 N TRP B 46 -10.422 2.829 -7.854 1.00 0.00 N ATOM 2064 CA TRP B 46 -11.567 2.467 -8.680 1.00 0.00 C ATOM 2065 C TRP B 46 -12.088 3.699 -9.411 1.00 0.00 C ATOM 2066 O TRP B 46 -11.886 4.827 -8.961 1.00 0.00 O ATOM 2067 CB TRP B 46 -12.675 1.803 -7.846 1.00 0.00 C ATOM 2068 CG TRP B 46 -13.180 2.625 -6.696 1.00 0.00 C ATOM 2069 CD1 TRP B 46 -12.685 2.647 -5.422 1.00 0.00 C ATOM 2070 CD2 TRP B 46 -14.292 3.529 -6.709 1.00 0.00 C ATOM 2071 NE1 TRP B 46 -13.419 3.508 -4.647 1.00 0.00 N ATOM 2072 CE2 TRP B 46 -14.409 4.063 -5.412 1.00 0.00 C ATOM 2073 CE3 TRP B 46 -15.199 3.943 -7.691 1.00 0.00 C ATOM 2074 CZ2 TRP B 46 -15.391 4.983 -5.070 1.00 0.00 C ATOM 2075 CZ3 TRP B 46 -16.175 4.859 -7.350 1.00 0.00 C ATOM 2076 CH2 TRP B 46 -16.265 5.371 -6.048 1.00 0.00 C ATOM 0 H TRP B 46 -10.577 3.640 -7.255 1.00 0.00 H new ATOM 0 HA TRP B 46 -11.242 1.734 -9.419 1.00 0.00 H new ATOM 0 HB2 TRP B 46 -13.513 1.570 -8.503 1.00 0.00 H new ATOM 0 HB3 TRP B 46 -12.300 0.856 -7.459 1.00 0.00 H new ATOM 0 HD1 TRP B 46 -11.840 2.071 -5.076 1.00 0.00 H new ATOM 0 HE1 TRP B 46 -13.254 3.703 -3.660 1.00 0.00 H new ATOM 0 HE3 TRP B 46 -15.137 3.554 -8.696 1.00 0.00 H new ATOM 0 HZ2 TRP B 46 -15.462 5.378 -4.067 1.00 0.00 H new ATOM 0 HZ3 TRP B 46 -16.881 5.186 -8.099 1.00 0.00 H new ATOM 0 HH2 TRP B 46 -17.040 6.086 -5.813 1.00 0.00 H new ATOM 2087 N SER B 47 -12.745 3.483 -10.540 1.00 0.00 N ATOM 2088 CA SER B 47 -13.116 4.573 -11.428 1.00 0.00 C ATOM 2089 C SER B 47 -14.635 4.664 -11.609 1.00 0.00 C ATOM 2090 O SER B 47 -15.362 3.745 -11.223 1.00 0.00 O ATOM 2091 CB SER B 47 -12.440 4.338 -12.769 1.00 0.00 C ATOM 2092 OG SER B 47 -11.141 3.813 -12.578 1.00 0.00 O ATOM 0 H SER B 47 -13.033 2.559 -10.863 1.00 0.00 H new ATOM 0 HA SER B 47 -12.790 5.518 -10.992 1.00 0.00 H new ATOM 0 HB2 SER B 47 -13.034 3.648 -13.368 1.00 0.00 H new ATOM 0 HB3 SER B 47 -12.383 5.274 -13.324 1.00 0.00 H new ATOM 0 HG SER B 47 -10.476 4.505 -12.778 1.00 0.00 H new ATOM 2202 N LYS B 55 -6.106 -0.795 -10.489 1.00 0.00 N ATOM 2203 CA LYS B 55 -4.651 -0.716 -10.468 1.00 0.00 C ATOM 2204 C LYS B 55 -4.170 -0.594 -9.030 1.00 0.00 C ATOM 2205 O LYS B 55 -4.479 0.384 -8.343 1.00 0.00 O ATOM 2206 CB LYS B 55 -4.136 0.474 -11.287 1.00 0.00 C ATOM 2207 CG LYS B 55 -4.556 0.461 -12.747 1.00 0.00 C ATOM 2208 CD LYS B 55 -3.788 1.498 -13.554 1.00 0.00 C ATOM 2209 CE LYS B 55 -4.390 1.691 -14.936 1.00 0.00 C ATOM 2210 NZ LYS B 55 -5.663 2.456 -14.882 1.00 0.00 N ATOM 0 HA LYS B 55 -4.257 -1.627 -10.919 1.00 0.00 H new ATOM 0 HB2 LYS B 55 -4.492 1.396 -10.828 1.00 0.00 H new ATOM 0 HB3 LYS B 55 -3.047 0.491 -11.235 1.00 0.00 H new ATOM 0 HG2 LYS B 55 -4.385 -0.530 -13.168 1.00 0.00 H new ATOM 0 HG3 LYS B 55 -5.625 0.658 -12.822 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -3.789 2.448 -13.020 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -2.748 1.187 -13.650 1.00 0.00 H new ATOM 0 HE2 LYS B 55 -3.678 2.216 -15.573 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -4.570 0.718 -15.393 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 -5.963 2.699 -15.848 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 -6.397 1.877 -14.426 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 -5.521 3.328 -14.334 1.00 0.00 H new ATOM 2224 N GLY B 56 -3.441 -1.597 -8.577 1.00 0.00 N ATOM 2225 CA GLY B 56 -2.938 -1.600 -7.223 1.00 0.00 C ATOM 2226 C GLY B 56 -2.261 -2.909 -6.886 1.00 0.00 C ATOM 2227 O GLY B 56 -1.794 -3.616 -7.782 1.00 0.00 O ATOM 0 H GLY B 56 -3.186 -2.417 -9.128 1.00 0.00 H new ATOM 0 HA2 GLY B 56 -2.231 -0.780 -7.095 1.00 0.00 H new ATOM 0 HA3 GLY B 56 -3.759 -1.425 -6.528 1.00 0.00 H new ATOM 2231 N ILE B 57 -2.223 -3.248 -5.607 1.00 0.00 N ATOM 2232 CA ILE B 57 -1.565 -4.465 -5.164 1.00 0.00 C ATOM 2233 C ILE B 57 -2.389 -5.179 -4.093 1.00 0.00 C ATOM 2234 O ILE B 57 -2.973 -4.543 -3.213 1.00 0.00 O ATOM 2235 CB ILE B 57 -0.144 -4.169 -4.623 1.00 0.00 C ATOM 2236 CG1 ILE B 57 0.544 -5.462 -4.172 1.00 0.00 C ATOM 2237 CG2 ILE B 57 -0.202 -3.166 -3.477 1.00 0.00 C ATOM 2238 CD1 ILE B 57 1.956 -5.259 -3.665 1.00 0.00 C ATOM 0 H ILE B 57 -2.641 -2.696 -4.858 1.00 0.00 H new ATOM 0 HA ILE B 57 -1.478 -5.119 -6.032 1.00 0.00 H new ATOM 0 HB ILE B 57 0.443 -3.732 -5.431 1.00 0.00 H new ATOM 0 HG12 ILE B 57 -0.052 -5.924 -3.385 1.00 0.00 H new ATOM 0 HG13 ILE B 57 0.565 -6.162 -5.008 1.00 0.00 H new ATOM 0 HG21 ILE B 57 0.807 -2.972 -3.112 1.00 0.00 H new ATOM 0 HG22 ILE B 57 -0.645 -2.235 -3.830 1.00 0.00 H new ATOM 0 HG23 ILE B 57 -0.809 -3.573 -2.668 1.00 0.00 H new ATOM 0 HD11 ILE B 57 2.376 -6.219 -3.365 1.00 0.00 H new ATOM 0 HD12 ILE B 57 2.568 -4.827 -4.456 1.00 0.00 H new ATOM 0 HD13 ILE B 57 1.942 -4.585 -2.808 1.00 0.00 H new ATOM 2250 N THR B 58 -2.456 -6.499 -4.201 1.00 0.00 N ATOM 2251 CA THR B 58 -3.098 -7.325 -3.196 1.00 0.00 C ATOM 2252 C THR B 58 -2.034 -7.996 -2.333 1.00 0.00 C ATOM 2253 O THR B 58 -1.052 -8.537 -2.853 1.00 0.00 O ATOM 2254 CB THR B 58 -4.003 -8.388 -3.850 1.00 0.00 C ATOM 2255 OG1 THR B 58 -3.308 -9.033 -4.927 1.00 0.00 O ATOM 2256 CG2 THR B 58 -5.282 -7.758 -4.376 1.00 0.00 C ATOM 0 H THR B 58 -2.068 -7.023 -4.986 1.00 0.00 H new ATOM 0 HA THR B 58 -3.725 -6.690 -2.571 1.00 0.00 H new ATOM 0 HB THR B 58 -4.262 -9.126 -3.091 1.00 0.00 H new ATOM 0 HG1 THR B 58 -3.890 -9.707 -5.335 1.00 0.00 H new ATOM 0 HG21 THR B 58 -5.905 -8.527 -4.833 1.00 0.00 H new ATOM 0 HG22 THR B 58 -5.824 -7.294 -3.552 1.00 0.00 H new ATOM 0 HG23 THR B 58 -5.035 -7.001 -5.120 1.00 0.00 H new ATOM 2264 N LEU B 59 -2.213 -7.947 -1.023 1.00 0.00 N ATOM 2265 CA LEU B 59 -1.200 -8.435 -0.107 1.00 0.00 C ATOM 2266 C LEU B 59 -1.828 -9.093 1.123 1.00 0.00 C ATOM 2267 O LEU B 59 -3.038 -8.994 1.342 1.00 0.00 O ATOM 2268 CB LEU B 59 -0.192 -7.311 0.257 1.00 0.00 C ATOM 2269 CG LEU B 59 -0.681 -6.070 1.042 1.00 0.00 C ATOM 2270 CD1 LEU B 59 -1.944 -5.454 0.458 1.00 0.00 C ATOM 2271 CD2 LEU B 59 -0.865 -6.396 2.509 1.00 0.00 C ATOM 0 H LEU B 59 -3.049 -7.575 -0.573 1.00 0.00 H new ATOM 0 HA LEU B 59 -0.630 -9.216 -0.611 1.00 0.00 H new ATOM 0 HB2 LEU B 59 0.611 -7.768 0.836 1.00 0.00 H new ATOM 0 HB3 LEU B 59 0.249 -6.955 -0.674 1.00 0.00 H new ATOM 0 HG LEU B 59 0.101 -5.317 0.946 1.00 0.00 H new ATOM 0 HD11 LEU B 59 -2.235 -4.588 1.053 1.00 0.00 H new ATOM 0 HD12 LEU B 59 -1.755 -5.141 -0.569 1.00 0.00 H new ATOM 0 HD13 LEU B 59 -2.748 -6.190 0.471 1.00 0.00 H new ATOM 0 HD21 LEU B 59 -1.209 -5.508 3.039 1.00 0.00 H new ATOM 0 HD22 LEU B 59 -1.603 -7.191 2.615 1.00 0.00 H new ATOM 0 HD23 LEU B 59 0.085 -6.725 2.931 1.00 0.00 H new ATOM 2283 N SER B 60 -1.010 -9.778 1.911 1.00 0.00 N ATOM 2284 CA SER B 60 -1.507 -10.600 3.005 1.00 0.00 C ATOM 2285 C SER B 60 -1.460 -9.855 4.342 1.00 0.00 C ATOM 2286 O SER B 60 -0.920 -8.752 4.443 1.00 0.00 O ATOM 2287 CB SER B 60 -0.693 -11.895 3.087 1.00 0.00 C ATOM 2288 OG SER B 60 -1.297 -12.831 3.965 1.00 0.00 O ATOM 0 H SER B 60 0.005 -9.780 1.812 1.00 0.00 H new ATOM 0 HA SER B 60 -2.551 -10.838 2.802 1.00 0.00 H new ATOM 0 HB2 SER B 60 -0.602 -12.333 2.093 1.00 0.00 H new ATOM 0 HB3 SER B 60 0.317 -11.671 3.431 1.00 0.00 H new ATOM 0 HG SER B 60 -0.756 -13.648 3.995 1.00 0.00 H new ATOM 2294 N ASN B 61 -2.026 -10.481 5.369 1.00 0.00 N ATOM 2295 CA ASN B 61 -2.121 -9.884 6.701 1.00 0.00 C ATOM 2296 C ASN B 61 -0.728 -9.657 7.290 1.00 0.00 C ATOM 2297 O ASN B 61 -0.519 -8.727 8.077 1.00 0.00 O ATOM 2298 CB ASN B 61 -2.934 -10.808 7.620 1.00 0.00 C ATOM 2299 CG ASN B 61 -3.547 -10.110 8.831 1.00 0.00 C ATOM 2300 OD1 ASN B 61 -4.621 -10.494 9.288 1.00 0.00 O ATOM 2301 ND2 ASN B 61 -2.882 -9.100 9.366 1.00 0.00 N ATOM 0 H ASN B 61 -2.432 -11.415 5.304 1.00 0.00 H new ATOM 0 HA ASN B 61 -2.621 -8.919 6.619 1.00 0.00 H new ATOM 0 HB2 ASN B 61 -3.733 -11.268 7.038 1.00 0.00 H new ATOM 0 HB3 ASN B 61 -2.288 -11.614 7.968 1.00 0.00 H new ATOM 0 HD21 ASN B 61 -3.259 -8.616 10.181 1.00 0.00 H new ATOM 0 HD22 ASN B 61 -1.993 -8.805 8.963 1.00 0.00 H new ATOM 2308 N GLU B 62 0.218 -10.500 6.892 1.00 0.00 N ATOM 2309 CA GLU B 62 1.582 -10.428 7.394 1.00 0.00 C ATOM 2310 C GLU B 62 2.202 -9.070 7.065 1.00 0.00 C ATOM 2311 O GLU B 62 2.568 -8.311 7.965 1.00 0.00 O ATOM 2312 CB GLU B 62 2.417 -11.557 6.784 1.00 0.00 C ATOM 2313 CG GLU B 62 3.768 -11.746 7.452 1.00 0.00 C ATOM 2314 CD GLU B 62 3.639 -12.133 8.909 1.00 0.00 C ATOM 2315 OE1 GLU B 62 3.235 -13.281 9.192 1.00 0.00 O ATOM 2316 OE2 GLU B 62 3.946 -11.294 9.782 1.00 0.00 O ATOM 0 H GLU B 62 0.061 -11.248 6.216 1.00 0.00 H new ATOM 0 HA GLU B 62 1.567 -10.543 8.478 1.00 0.00 H new ATOM 0 HB2 GLU B 62 1.855 -12.489 6.850 1.00 0.00 H new ATOM 0 HB3 GLU B 62 2.571 -11.352 5.725 1.00 0.00 H new ATOM 0 HG2 GLU B 62 4.328 -12.516 6.922 1.00 0.00 H new ATOM 0 HG3 GLU B 62 4.342 -10.823 7.373 1.00 0.00 H new ATOM 2323 N GLU B 63 2.282 -8.768 5.773 1.00 0.00 N ATOM 2324 CA GLU B 63 2.856 -7.513 5.295 1.00 0.00 C ATOM 2325 C GLU B 63 2.122 -6.323 5.887 1.00 0.00 C ATOM 2326 O GLU B 63 2.738 -5.318 6.251 1.00 0.00 O ATOM 2327 CB GLU B 63 2.779 -7.421 3.770 1.00 0.00 C ATOM 2328 CG GLU B 63 3.317 -8.634 3.039 1.00 0.00 C ATOM 2329 CD GLU B 63 2.274 -9.711 2.838 1.00 0.00 C ATOM 2330 OE1 GLU B 63 2.031 -10.497 3.772 1.00 0.00 O ATOM 2331 OE2 GLU B 63 1.701 -9.780 1.732 1.00 0.00 O ATOM 0 H GLU B 63 1.952 -9.383 5.029 1.00 0.00 H new ATOM 0 HA GLU B 63 3.899 -7.496 5.610 1.00 0.00 H new ATOM 0 HB2 GLU B 63 1.739 -7.269 3.480 1.00 0.00 H new ATOM 0 HB3 GLU B 63 3.333 -6.541 3.443 1.00 0.00 H new ATOM 0 HG2 GLU B 63 3.704 -8.325 2.068 1.00 0.00 H new ATOM 0 HG3 GLU B 63 4.155 -9.047 3.600 1.00 0.00 H new ATOM 2338 N PHE B 64 0.804 -6.447 5.978 1.00 0.00 N ATOM 2339 CA PHE B 64 -0.033 -5.380 6.500 1.00 0.00 C ATOM 2340 C PHE B 64 0.418 -4.991 7.906 1.00 0.00 C ATOM 2341 O PHE B 64 0.618 -3.813 8.200 1.00 0.00 O ATOM 2342 CB PHE B 64 -1.494 -5.829 6.508 1.00 0.00 C ATOM 2343 CG PHE B 64 -2.448 -4.755 6.083 1.00 0.00 C ATOM 2344 CD1 PHE B 64 -2.562 -4.405 4.748 1.00 0.00 C ATOM 2345 CD2 PHE B 64 -3.238 -4.103 7.011 1.00 0.00 C ATOM 2346 CE1 PHE B 64 -3.446 -3.425 4.347 1.00 0.00 C ATOM 2347 CE2 PHE B 64 -4.121 -3.120 6.617 1.00 0.00 C ATOM 2348 CZ PHE B 64 -4.227 -2.780 5.282 1.00 0.00 C ATOM 0 H PHE B 64 0.291 -7.282 5.695 1.00 0.00 H new ATOM 0 HA PHE B 64 0.063 -4.504 5.858 1.00 0.00 H new ATOM 0 HB2 PHE B 64 -1.606 -6.687 5.846 1.00 0.00 H new ATOM 0 HB3 PHE B 64 -1.758 -6.163 7.511 1.00 0.00 H new ATOM 0 HD1 PHE B 64 -1.951 -4.906 4.012 1.00 0.00 H new ATOM 0 HD2 PHE B 64 -3.163 -4.366 8.056 1.00 0.00 H new ATOM 0 HE1 PHE B 64 -3.526 -3.163 3.302 1.00 0.00 H new ATOM 0 HE2 PHE B 64 -4.730 -2.615 7.352 1.00 0.00 H new ATOM 0 HZ PHE B 64 -4.920 -2.011 4.972 1.00 0.00 H new ATOM 2358 N GLN B 65 0.614 -5.988 8.757 1.00 0.00 N ATOM 2359 CA GLN B 65 1.071 -5.745 10.119 1.00 0.00 C ATOM 2360 C GLN B 65 2.501 -5.205 10.113 1.00 0.00 C ATOM 2361 O GLN B 65 2.827 -4.286 10.867 1.00 0.00 O ATOM 2362 CB GLN B 65 0.986 -7.030 10.949 1.00 0.00 C ATOM 2363 CG GLN B 65 1.405 -6.862 12.406 1.00 0.00 C ATOM 2364 CD GLN B 65 0.586 -5.812 13.138 1.00 0.00 C ATOM 2365 OE1 GLN B 65 -0.474 -6.107 13.688 1.00 0.00 O ATOM 2366 NE2 GLN B 65 1.085 -4.586 13.181 1.00 0.00 N ATOM 0 H GLN B 65 0.464 -6.971 8.530 1.00 0.00 H new ATOM 0 HA GLN B 65 0.422 -4.997 10.574 1.00 0.00 H new ATOM 0 HB2 GLN B 65 -0.038 -7.402 10.918 1.00 0.00 H new ATOM 0 HB3 GLN B 65 1.616 -7.790 10.487 1.00 0.00 H new ATOM 0 HG2 GLN B 65 1.305 -7.818 12.920 1.00 0.00 H new ATOM 0 HG3 GLN B 65 2.459 -6.587 12.447 1.00 0.00 H new ATOM 0 HE21 GLN B 65 1.967 -4.378 12.713 1.00 0.00 H new ATOM 0 HE22 GLN B 65 0.587 -3.850 13.682 1.00 0.00 H new ATOM 2375 N THR B 66 3.335 -5.760 9.236 1.00 0.00 N ATOM 2376 CA THR B 66 4.731 -5.353 9.137 1.00 0.00 C ATOM 2377 C THR B 66 4.851 -3.854 8.859 1.00 0.00 C ATOM 2378 O THR B 66 5.587 -3.140 9.545 1.00 0.00 O ATOM 2379 CB THR B 66 5.461 -6.134 8.021 1.00 0.00 C ATOM 2380 OG1 THR B 66 5.350 -7.545 8.249 1.00 0.00 O ATOM 2381 CG2 THR B 66 6.932 -5.748 7.946 1.00 0.00 C ATOM 0 H THR B 66 3.065 -6.495 8.583 1.00 0.00 H new ATOM 0 HA THR B 66 5.198 -5.577 10.096 1.00 0.00 H new ATOM 0 HB THR B 66 4.987 -5.877 7.074 1.00 0.00 H new ATOM 0 HG1 THR B 66 4.419 -7.824 8.126 1.00 0.00 H new ATOM 0 HG21 THR B 66 7.417 -6.315 7.151 1.00 0.00 H new ATOM 0 HG22 THR B 66 7.018 -4.682 7.736 1.00 0.00 H new ATOM 0 HG23 THR B 66 7.415 -5.970 8.897 1.00 0.00 H new ATOM 2389 N MET B 67 4.110 -3.376 7.863 1.00 0.00 N ATOM 2390 CA MET B 67 4.193 -1.977 7.467 1.00 0.00 C ATOM 2391 C MET B 67 3.622 -1.064 8.551 1.00 0.00 C ATOM 2392 O MET B 67 4.109 0.047 8.744 1.00 0.00 O ATOM 2393 CB MET B 67 3.479 -1.732 6.130 1.00 0.00 C ATOM 2394 CG MET B 67 1.962 -1.798 6.205 1.00 0.00 C ATOM 2395 SD MET B 67 1.173 -1.366 4.645 1.00 0.00 S ATOM 2396 CE MET B 67 -0.551 -1.354 5.133 1.00 0.00 C ATOM 0 H MET B 67 3.451 -3.933 7.320 1.00 0.00 H new ATOM 0 HA MET B 67 5.248 -1.737 7.337 1.00 0.00 H new ATOM 0 HB2 MET B 67 3.769 -0.752 5.752 1.00 0.00 H new ATOM 0 HB3 MET B 67 3.827 -2.469 5.406 1.00 0.00 H new ATOM 0 HG2 MET B 67 1.660 -2.804 6.495 1.00 0.00 H new ATOM 0 HG3 MET B 67 1.611 -1.123 6.985 1.00 0.00 H new ATOM 0 HE1 MET B 67 -1.180 -1.279 4.246 1.00 0.00 H new ATOM 0 HE2 MET B 67 -0.785 -2.275 5.666 1.00 0.00 H new ATOM 0 HE3 MET B 67 -0.739 -0.500 5.784 1.00 0.00 H new ATOM 2406 N VAL B 68 2.611 -1.540 9.273 1.00 0.00 N ATOM 2407 CA VAL B 68 1.983 -0.741 10.321 1.00 0.00 C ATOM 2408 C VAL B 68 2.980 -0.368 11.414 1.00 0.00 C ATOM 2409 O VAL B 68 3.022 0.780 11.851 1.00 0.00 O ATOM 2410 CB VAL B 68 0.759 -1.466 10.926 1.00 0.00 C ATOM 2411 CG1 VAL B 68 0.266 -0.787 12.199 1.00 0.00 C ATOM 2412 CG2 VAL B 68 -0.360 -1.516 9.901 1.00 0.00 C ATOM 0 H VAL B 68 2.211 -2.470 9.152 1.00 0.00 H new ATOM 0 HA VAL B 68 1.634 0.181 9.855 1.00 0.00 H new ATOM 0 HB VAL B 68 1.067 -2.477 11.192 1.00 0.00 H new ATOM 0 HG11 VAL B 68 -0.595 -1.329 12.590 1.00 0.00 H new ATOM 0 HG12 VAL B 68 1.063 -0.786 12.943 1.00 0.00 H new ATOM 0 HG13 VAL B 68 -0.023 0.240 11.975 1.00 0.00 H new ATOM 0 HG21 VAL B 68 -1.222 -2.027 10.329 1.00 0.00 H new ATOM 0 HG22 VAL B 68 -0.642 -0.501 9.621 1.00 0.00 H new ATOM 0 HG23 VAL B 68 -0.020 -2.055 9.017 1.00 0.00 H new ATOM 2422 N ASP B 69 3.792 -1.324 11.844 1.00 0.00 N ATOM 2423 CA ASP B 69 4.824 -1.047 12.839 1.00 0.00 C ATOM 2424 C ASP B 69 5.874 -0.090 12.277 1.00 0.00 C ATOM 2425 O ASP B 69 6.224 0.915 12.908 1.00 0.00 O ATOM 2426 CB ASP B 69 5.498 -2.341 13.308 1.00 0.00 C ATOM 2427 CG ASP B 69 4.628 -3.157 14.248 1.00 0.00 C ATOM 2428 OD1 ASP B 69 4.699 -2.931 15.478 1.00 0.00 O ATOM 2429 OD2 ASP B 69 3.883 -4.036 13.767 1.00 0.00 O ATOM 0 H ASP B 69 3.759 -2.292 11.524 1.00 0.00 H new ATOM 0 HA ASP B 69 4.340 -0.577 13.695 1.00 0.00 H new ATOM 0 HB2 ASP B 69 5.752 -2.947 12.439 1.00 0.00 H new ATOM 0 HB3 ASP B 69 6.434 -2.095 13.810 1.00 0.00 H new ATOM 2434 N ALA B 70 6.357 -0.393 11.077 1.00 0.00 N ATOM 2435 CA ALA B 70 7.396 0.406 10.444 1.00 0.00 C ATOM 2436 C ALA B 70 6.940 1.846 10.241 1.00 0.00 C ATOM 2437 O ALA B 70 7.687 2.788 10.504 1.00 0.00 O ATOM 2438 CB ALA B 70 7.796 -0.212 9.117 1.00 0.00 C ATOM 0 H ALA B 70 6.043 -1.190 10.523 1.00 0.00 H new ATOM 0 HA ALA B 70 8.262 0.419 11.106 1.00 0.00 H new ATOM 0 HB1 ALA B 70 8.574 0.394 8.653 1.00 0.00 H new ATOM 0 HB2 ALA B 70 8.174 -1.221 9.285 1.00 0.00 H new ATOM 0 HB3 ALA B 70 6.928 -0.254 8.459 1.00 0.00 H new ATOM 2444 N PHE B 71 5.706 2.019 9.792 1.00 0.00 N ATOM 2445 CA PHE B 71 5.179 3.348 9.533 1.00 0.00 C ATOM 2446 C PHE B 71 4.629 3.978 10.806 1.00 0.00 C ATOM 2447 O PHE B 71 4.266 5.145 10.822 1.00 0.00 O ATOM 2448 CB PHE B 71 4.121 3.305 8.429 1.00 0.00 C ATOM 2449 CG PHE B 71 4.683 2.855 7.112 1.00 0.00 C ATOM 2450 CD1 PHE B 71 5.889 3.360 6.657 1.00 0.00 C ATOM 2451 CD2 PHE B 71 4.012 1.928 6.333 1.00 0.00 C ATOM 2452 CE1 PHE B 71 6.418 2.949 5.450 1.00 0.00 C ATOM 2453 CE2 PHE B 71 4.536 1.513 5.125 1.00 0.00 C ATOM 2454 CZ PHE B 71 5.740 2.024 4.684 1.00 0.00 C ATOM 0 H PHE B 71 5.054 1.258 9.600 1.00 0.00 H new ATOM 0 HA PHE B 71 5.999 3.977 9.186 1.00 0.00 H new ATOM 0 HB2 PHE B 71 3.317 2.632 8.727 1.00 0.00 H new ATOM 0 HB3 PHE B 71 3.681 4.295 8.313 1.00 0.00 H new ATOM 0 HD1 PHE B 71 6.423 4.085 7.254 1.00 0.00 H new ATOM 0 HD2 PHE B 71 3.069 1.526 6.674 1.00 0.00 H new ATOM 0 HE1 PHE B 71 7.360 3.351 5.107 1.00 0.00 H new ATOM 0 HE2 PHE B 71 4.004 0.789 4.525 1.00 0.00 H new ATOM 0 HZ PHE B 71 6.151 1.700 3.739 1.00 0.00 H new ATOM 2464 N LYS B 72 4.571 3.207 11.881 1.00 0.00 N ATOM 2465 CA LYS B 72 4.273 3.775 13.184 1.00 0.00 C ATOM 2466 C LYS B 72 5.521 4.470 13.711 1.00 0.00 C ATOM 2467 O LYS B 72 5.451 5.389 14.529 1.00 0.00 O ATOM 2468 CB LYS B 72 3.820 2.698 14.174 1.00 0.00 C ATOM 2469 CG LYS B 72 3.372 3.269 15.507 1.00 0.00 C ATOM 2470 CD LYS B 72 3.083 2.186 16.526 1.00 0.00 C ATOM 2471 CE LYS B 72 2.590 2.782 17.833 1.00 0.00 C ATOM 2472 NZ LYS B 72 2.534 1.775 18.920 1.00 0.00 N ATOM 0 H LYS B 72 4.724 2.199 11.877 1.00 0.00 H new ATOM 0 HA LYS B 72 3.457 4.489 13.077 1.00 0.00 H new ATOM 0 HB2 LYS B 72 3.000 2.130 13.734 1.00 0.00 H new ATOM 0 HB3 LYS B 72 4.639 1.998 14.341 1.00 0.00 H new ATOM 0 HG2 LYS B 72 4.145 3.933 15.894 1.00 0.00 H new ATOM 0 HG3 LYS B 72 2.477 3.874 15.359 1.00 0.00 H new ATOM 0 HD2 LYS B 72 2.334 1.500 16.130 1.00 0.00 H new ATOM 0 HD3 LYS B 72 3.986 1.602 16.707 1.00 0.00 H new ATOM 0 HE2 LYS B 72 3.248 3.598 18.130 1.00 0.00 H new ATOM 0 HE3 LYS B 72 1.599 3.210 17.685 1.00 0.00 H new ATOM 0 HZ1 LYS B 72 1.576 1.755 19.325 1.00 0.00 H new ATOM 0 HZ2 LYS B 72 2.768 0.837 18.537 1.00 0.00 H new ATOM 0 HZ3 LYS B 72 3.218 2.026 19.662 1.00 0.00 H new ATOM 2486 N GLY B 73 6.665 4.005 13.232 1.00 0.00 N ATOM 2487 CA GLY B 73 7.932 4.599 13.615 1.00 0.00 C ATOM 2488 C GLY B 73 8.452 5.590 12.589 1.00 0.00 C ATOM 2489 O GLY B 73 9.399 6.332 12.856 1.00 0.00 O ATOM 0 H GLY B 73 6.740 3.223 12.582 1.00 0.00 H new ATOM 0 HA2 GLY B 73 7.816 5.103 14.574 1.00 0.00 H new ATOM 0 HA3 GLY B 73 8.670 3.809 13.757 1.00 0.00 H new ATOM 2493 N ASN B 74 7.837 5.617 11.417 1.00 0.00 N ATOM 2494 CA ASN B 74 8.280 6.504 10.346 1.00 0.00 C ATOM 2495 C ASN B 74 7.133 7.406 9.902 1.00 0.00 C ATOM 2496 O ASN B 74 5.987 7.159 10.259 1.00 0.00 O ATOM 2497 CB ASN B 74 8.819 5.690 9.163 1.00 0.00 C ATOM 2498 CG ASN B 74 9.596 6.546 8.176 1.00 0.00 C ATOM 2499 OD1 ASN B 74 10.180 7.563 8.548 1.00 0.00 O ATOM 2500 ND2 ASN B 74 9.613 6.137 6.917 1.00 0.00 N ATOM 0 H ASN B 74 7.031 5.038 11.181 1.00 0.00 H new ATOM 0 HA ASN B 74 9.088 7.132 10.723 1.00 0.00 H new ATOM 0 HB2 ASN B 74 9.464 4.895 9.537 1.00 0.00 H new ATOM 0 HB3 ASN B 74 7.988 5.210 8.647 1.00 0.00 H new ATOM 0 HD21 ASN B 74 10.124 6.671 6.214 1.00 0.00 H new ATOM 0 HD22 ASN B 74 9.115 5.288 6.650 1.00 0.00 H new ATOM 2507 N LEU B 75 7.448 8.450 9.130 1.00 0.00 N ATOM 2508 CA LEU B 75 6.460 9.456 8.729 1.00 0.00 C ATOM 2509 C LEU B 75 5.835 10.110 9.958 1.00 0.00 C ATOM 2510 O LEU B 75 6.416 10.070 11.049 1.00 0.00 O ATOM 2511 CB LEU B 75 5.353 8.857 7.840 1.00 0.00 C ATOM 2512 CG LEU B 75 5.760 8.494 6.410 1.00 0.00 C ATOM 2513 CD1 LEU B 75 6.296 7.078 6.343 1.00 0.00 C ATOM 2514 CD2 LEU B 75 4.584 8.663 5.462 1.00 0.00 C ATOM 0 H LEU B 75 8.386 8.621 8.768 1.00 0.00 H new ATOM 0 HA LEU B 75 6.989 10.209 8.144 1.00 0.00 H new ATOM 0 HB2 LEU B 75 4.971 7.959 8.326 1.00 0.00 H new ATOM 0 HB3 LEU B 75 4.529 9.569 7.792 1.00 0.00 H new ATOM 0 HG LEU B 75 6.555 9.173 6.101 1.00 0.00 H new ATOM 0 HD11 LEU B 75 6.578 6.844 5.317 1.00 0.00 H new ATOM 0 HD12 LEU B 75 7.169 6.989 6.989 1.00 0.00 H new ATOM 0 HD13 LEU B 75 5.526 6.381 6.675 1.00 0.00 H new ATOM 0 HD21 LEU B 75 4.892 8.400 4.450 1.00 0.00 H new ATOM 0 HD22 LEU B 75 3.769 8.011 5.774 1.00 0.00 H new ATOM 0 HD23 LEU B 75 4.247 9.699 5.481 1.00 0.00 H new ATOM 2526 N GLU B 76 4.685 10.765 9.750 1.00 0.00 N ATOM 2527 CA GLU B 76 3.887 11.360 10.830 1.00 0.00 C ATOM 2528 C GLU B 76 4.524 12.671 11.296 1.00 0.00 C ATOM 2529 O GLU B 76 3.831 13.668 11.497 1.00 0.00 O ATOM 2530 CB GLU B 76 3.727 10.360 11.992 1.00 0.00 C ATOM 2531 CG GLU B 76 2.434 10.506 12.785 1.00 0.00 C ATOM 2532 CD GLU B 76 2.508 11.562 13.864 1.00 0.00 C ATOM 2533 OE1 GLU B 76 2.189 12.731 13.581 1.00 0.00 O ATOM 2534 OE2 GLU B 76 2.865 11.220 15.011 1.00 0.00 O ATOM 0 H GLU B 76 4.280 10.898 8.823 1.00 0.00 H new ATOM 0 HA GLU B 76 2.890 11.590 10.454 1.00 0.00 H new ATOM 0 HB2 GLU B 76 3.779 9.348 11.592 1.00 0.00 H new ATOM 0 HB3 GLU B 76 4.570 10.477 12.673 1.00 0.00 H new ATOM 0 HG2 GLU B 76 1.622 10.753 12.100 1.00 0.00 H new ATOM 0 HG3 GLU B 76 2.186 9.548 13.241 1.00 0.00 H new