USER MOD reduce.3.24.130724 H: found=0, std=0, add=964, rem=0, adj=29 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: B 19 SER OG : rot 112:sc= 0.836 USER MOD Set 1.2: B 21 ASN : amide:sc= 0.475 K(o=-0.19,f=-11!) USER MOD Set 1.3: B 27 LYS NZ :NH3+ -142:sc= -1.5! (180deg=-4.53!) USER MOD Set 2.1: B 14 HIS :FLIP no HE2:sc= 0.193 F(o=-0.13,f=1.6) USER MOD Set 2.2: B 30 ASN : amide:sc= 1.42 K(o=1.6,f=0.25) USER MOD Set 3.1: A 8 THR OG1 : rot -11:sc= 1.16 USER MOD Set 3.2: A 35 ASN : amide:sc= 0.994 K(o=2.2,f=-1.7) USER MOD Set 4.1: A 21 ASN : amide:sc= 1.79 K(o=4.1,f=-4.5) USER MOD Set 4.2: A 27 LYS NZ :NH3+ 162:sc= 2.35 (180deg=0.914) USER MOD Single : A 14 HIS : no HE2:sc= 0.988 K(o=0.99,f=-6.2!) USER MOD Single : A 17 THR OG1 : rot -64:sc= 1.23 USER MOD Single : A 19 SER OG : rot 180:sc= -0.196 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 30 ASN : amide:sc= -0.499 X(o=-0.5,f=-0.23) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot -60:sc= 1.4 USER MOD Single : A 55 LYS NZ :NH3+ -168:sc= -0.0146 (180deg=-0.156) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.00869 USER MOD Single : A 60 SER OG : rot 83:sc= 1.31 USER MOD Single : A 61 ASN : amide:sc= -0.0823 K(o=-0.082,f=-2.4!) USER MOD Single : A 65 GLN :FLIP amide:sc= -0.297 F(o=-1.1,f=-0.3) USER MOD Single : A 66 THR OG1 : rot 79:sc= 1.24 USER MOD Single : A 67 MET CE :methyl -160:sc= -0.0991 (180deg=-0.604) USER MOD Single : A 72 LYS NZ :NH3+ -140:sc= 1.19 (180deg=-0.874!) USER MOD Single : A 74 ASN : amide:sc= 0.115 X(o=0.11,f=-0.37) USER MOD Single : B 8 THR OG1 : rot -89:sc= -0.771 USER MOD Single : B 17 THR OG1 : rot -96:sc= 0.977 USER MOD Single : B 23 LYS NZ :NH3+ 161:sc= -0.108 (180deg=-0.53) USER MOD Single : B 26 THR OG1 : rot 140:sc= 0.131 USER MOD Single : B 33 SER OG : rot 180:sc= -0.0106 USER MOD Single : B 35 ASN : amide:sc= -0.0616 K(o=-0.062,f=-0.87) USER MOD Single : B 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 47 SER OG : rot -94:sc= 0.28 USER MOD Single : B 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 58 THR OG1 : rot 180:sc= 0 USER MOD Single : B 60 SER OG : rot 180:sc= 0.189 USER MOD Single : B 61 ASN : amide:sc= 1.18 K(o=1.2,f=-0.13) USER MOD Single : B 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 66 THR OG1 : rot 75:sc= 1.2 USER MOD Single : B 67 MET CE :methyl -156:sc= -0.171 (180deg=-1.7) USER MOD Single : B 72 LYS NZ :NH3+ 178:sc= 1.21 (180deg=1.17) USER MOD Single : B 74 ASN : amide:sc= -0.108 X(o=-0.11,f=-0.47) USER MOD ----------------------------------------------------------------- ATOM 126 N THR A 8 12.440 10.172 -16.475 1.00 0.00 N ATOM 127 CA THR A 8 13.396 9.815 -15.452 1.00 0.00 C ATOM 128 C THR A 8 12.680 9.344 -14.195 1.00 0.00 C ATOM 129 O THR A 8 11.949 10.106 -13.556 1.00 0.00 O ATOM 130 CB THR A 8 14.317 11.006 -15.116 1.00 0.00 C ATOM 131 OG1 THR A 8 13.536 12.191 -14.900 1.00 0.00 O ATOM 132 CG2 THR A 8 15.313 11.255 -16.235 1.00 0.00 C ATOM 0 HA THR A 8 14.010 9.001 -15.838 1.00 0.00 H new ATOM 0 HB THR A 8 14.866 10.760 -14.207 1.00 0.00 H new ATOM 0 HG1 THR A 8 12.611 12.029 -15.180 1.00 0.00 H new ATOM 0 HG21 THR A 8 15.950 12.100 -15.973 1.00 0.00 H new ATOM 0 HG22 THR A 8 15.928 10.367 -16.379 1.00 0.00 H new ATOM 0 HG23 THR A 8 14.776 11.478 -17.157 1.00 0.00 H new ATOM 140 N PHE A 9 12.890 8.086 -13.851 1.00 0.00 N ATOM 141 CA PHE A 9 12.319 7.515 -12.645 1.00 0.00 C ATOM 142 C PHE A 9 13.271 6.474 -12.088 1.00 0.00 C ATOM 143 O PHE A 9 13.770 5.616 -12.824 1.00 0.00 O ATOM 144 CB PHE A 9 10.928 6.908 -12.911 1.00 0.00 C ATOM 145 CG PHE A 9 10.901 5.801 -13.931 1.00 0.00 C ATOM 146 CD1 PHE A 9 10.798 6.085 -15.284 1.00 0.00 C ATOM 147 CD2 PHE A 9 10.971 4.473 -13.533 1.00 0.00 C ATOM 148 CE1 PHE A 9 10.768 5.067 -16.218 1.00 0.00 C ATOM 149 CE2 PHE A 9 10.941 3.453 -14.462 1.00 0.00 C ATOM 150 CZ PHE A 9 10.840 3.750 -15.806 1.00 0.00 C ATOM 0 H PHE A 9 13.457 7.436 -14.395 1.00 0.00 H new ATOM 0 HA PHE A 9 12.182 8.308 -11.910 1.00 0.00 H new ATOM 0 HB2 PHE A 9 10.529 6.526 -11.971 1.00 0.00 H new ATOM 0 HB3 PHE A 9 10.259 7.702 -13.241 1.00 0.00 H new ATOM 0 HD1 PHE A 9 10.741 7.113 -15.611 1.00 0.00 H new ATOM 0 HD2 PHE A 9 11.050 4.235 -12.483 1.00 0.00 H new ATOM 0 HE1 PHE A 9 10.688 5.301 -17.269 1.00 0.00 H new ATOM 0 HE2 PHE A 9 10.996 2.424 -14.138 1.00 0.00 H new ATOM 0 HZ PHE A 9 10.817 2.954 -16.535 1.00 0.00 H new ATOM 160 N GLU A 10 13.547 6.563 -10.802 1.00 0.00 N ATOM 161 CA GLU A 10 14.519 5.681 -10.184 1.00 0.00 C ATOM 162 C GLU A 10 14.222 5.508 -8.705 1.00 0.00 C ATOM 163 O GLU A 10 13.757 6.439 -8.042 1.00 0.00 O ATOM 164 CB GLU A 10 15.925 6.250 -10.392 1.00 0.00 C ATOM 165 CG GLU A 10 17.040 5.324 -9.948 1.00 0.00 C ATOM 166 CD GLU A 10 18.396 5.812 -10.406 1.00 0.00 C ATOM 167 OE1 GLU A 10 18.745 5.571 -11.579 1.00 0.00 O ATOM 168 OE2 GLU A 10 19.109 6.444 -9.602 1.00 0.00 O ATOM 0 H GLU A 10 13.115 7.234 -10.167 1.00 0.00 H new ATOM 0 HA GLU A 10 14.459 4.698 -10.652 1.00 0.00 H new ATOM 0 HB2 GLU A 10 16.059 6.482 -11.449 1.00 0.00 H new ATOM 0 HB3 GLU A 10 16.009 7.190 -9.847 1.00 0.00 H new ATOM 0 HG2 GLU A 10 17.032 5.242 -8.861 1.00 0.00 H new ATOM 0 HG3 GLU A 10 16.861 4.325 -10.345 1.00 0.00 H new ATOM 175 N ILE A 11 14.470 4.307 -8.198 1.00 0.00 N ATOM 176 CA ILE A 11 14.244 4.009 -6.795 1.00 0.00 C ATOM 177 C ILE A 11 15.351 4.619 -5.945 1.00 0.00 C ATOM 178 O ILE A 11 16.481 4.131 -5.933 1.00 0.00 O ATOM 179 CB ILE A 11 14.181 2.487 -6.544 1.00 0.00 C ATOM 180 CG1 ILE A 11 13.107 1.854 -7.433 1.00 0.00 C ATOM 181 CG2 ILE A 11 13.896 2.205 -5.075 1.00 0.00 C ATOM 182 CD1 ILE A 11 13.028 0.350 -7.318 1.00 0.00 C ATOM 0 H ILE A 11 14.829 3.523 -8.742 1.00 0.00 H new ATOM 0 HA ILE A 11 13.284 4.443 -6.515 1.00 0.00 H new ATOM 0 HB ILE A 11 15.146 2.046 -6.796 1.00 0.00 H new ATOM 0 HG12 ILE A 11 12.138 2.280 -7.175 1.00 0.00 H new ATOM 0 HG13 ILE A 11 13.305 2.120 -8.471 1.00 0.00 H new ATOM 0 HG21 ILE A 11 13.854 1.128 -4.913 1.00 0.00 H new ATOM 0 HG22 ILE A 11 14.688 2.634 -4.462 1.00 0.00 H new ATOM 0 HG23 ILE A 11 12.941 2.651 -4.798 1.00 0.00 H new ATOM 0 HD11 ILE A 11 12.245 -0.025 -7.977 1.00 0.00 H new ATOM 0 HD12 ILE A 11 13.984 -0.088 -7.605 1.00 0.00 H new ATOM 0 HD13 ILE A 11 12.798 0.075 -6.289 1.00 0.00 H new ATOM 194 N GLU A 12 15.016 5.699 -5.255 1.00 0.00 N ATOM 195 CA GLU A 12 15.976 6.426 -4.435 1.00 0.00 C ATOM 196 C GLU A 12 16.209 5.716 -3.110 1.00 0.00 C ATOM 197 O GLU A 12 17.350 5.450 -2.725 1.00 0.00 O ATOM 198 CB GLU A 12 15.476 7.852 -4.178 1.00 0.00 C ATOM 199 CG GLU A 12 15.435 8.719 -5.426 1.00 0.00 C ATOM 200 CD GLU A 12 16.817 9.099 -5.913 1.00 0.00 C ATOM 201 OE1 GLU A 12 17.492 8.254 -6.529 1.00 0.00 O ATOM 202 OE2 GLU A 12 17.236 10.252 -5.675 1.00 0.00 O ATOM 0 H GLU A 12 14.076 6.095 -5.247 1.00 0.00 H new ATOM 0 HA GLU A 12 16.922 6.466 -4.976 1.00 0.00 H new ATOM 0 HB2 GLU A 12 14.476 7.805 -3.746 1.00 0.00 H new ATOM 0 HB3 GLU A 12 16.121 8.326 -3.438 1.00 0.00 H new ATOM 0 HG2 GLU A 12 14.908 8.186 -6.218 1.00 0.00 H new ATOM 0 HG3 GLU A 12 14.865 9.624 -5.217 1.00 0.00 H new ATOM 209 N GLU A 13 15.126 5.384 -2.429 1.00 0.00 N ATOM 210 CA GLU A 13 15.214 4.836 -1.088 1.00 0.00 C ATOM 211 C GLU A 13 14.324 3.611 -0.936 1.00 0.00 C ATOM 212 O GLU A 13 13.267 3.514 -1.563 1.00 0.00 O ATOM 213 CB GLU A 13 14.810 5.910 -0.071 1.00 0.00 C ATOM 214 CG GLU A 13 14.987 5.486 1.374 1.00 0.00 C ATOM 215 CD GLU A 13 16.425 5.160 1.711 1.00 0.00 C ATOM 216 OE1 GLU A 13 17.224 6.100 1.889 1.00 0.00 O ATOM 217 OE2 GLU A 13 16.759 3.963 1.800 1.00 0.00 O ATOM 0 H GLU A 13 14.175 5.485 -2.784 1.00 0.00 H new ATOM 0 HA GLU A 13 16.243 4.527 -0.906 1.00 0.00 H new ATOM 0 HB2 GLU A 13 15.402 6.808 -0.251 1.00 0.00 H new ATOM 0 HB3 GLU A 13 13.766 6.178 -0.235 1.00 0.00 H new ATOM 0 HG2 GLU A 13 14.636 6.284 2.029 1.00 0.00 H new ATOM 0 HG3 GLU A 13 14.364 4.614 1.572 1.00 0.00 H new ATOM 224 N HIS A 14 14.770 2.672 -0.116 1.00 0.00 N ATOM 225 CA HIS A 14 13.978 1.506 0.235 1.00 0.00 C ATOM 226 C HIS A 14 13.543 1.623 1.691 1.00 0.00 C ATOM 227 O HIS A 14 14.377 1.603 2.593 1.00 0.00 O ATOM 228 CB HIS A 14 14.782 0.209 0.028 1.00 0.00 C ATOM 229 CG HIS A 14 15.205 -0.033 -1.389 1.00 0.00 C ATOM 230 ND1 HIS A 14 14.603 -0.966 -2.206 1.00 0.00 N ATOM 231 CD2 HIS A 14 16.187 0.534 -2.133 1.00 0.00 C ATOM 232 CE1 HIS A 14 15.193 -0.965 -3.386 1.00 0.00 C ATOM 233 NE2 HIS A 14 16.155 -0.064 -3.369 1.00 0.00 N ATOM 0 H HIS A 14 15.690 2.698 0.324 1.00 0.00 H new ATOM 0 HA HIS A 14 13.103 1.464 -0.413 1.00 0.00 H new ATOM 0 HB2 HIS A 14 15.670 0.241 0.660 1.00 0.00 H new ATOM 0 HB3 HIS A 14 14.181 -0.635 0.365 1.00 0.00 H new ATOM 0 HD1 HIS A 14 13.822 -1.565 -1.939 1.00 0.00 H new ATOM 0 HD2 HIS A 14 16.867 1.310 -1.813 1.00 0.00 H new ATOM 0 HE1 HIS A 14 14.932 -1.595 -4.223 1.00 0.00 H new ATOM 242 N LEU A 15 12.243 1.771 1.919 1.00 0.00 N ATOM 243 CA LEU A 15 11.729 1.958 3.273 1.00 0.00 C ATOM 244 C LEU A 15 11.900 0.685 4.090 1.00 0.00 C ATOM 245 O LEU A 15 12.738 0.628 4.991 1.00 0.00 O ATOM 246 CB LEU A 15 10.259 2.377 3.237 1.00 0.00 C ATOM 247 CG LEU A 15 9.989 3.729 2.573 1.00 0.00 C ATOM 248 CD1 LEU A 15 8.497 3.963 2.437 1.00 0.00 C ATOM 249 CD2 LEU A 15 10.627 4.855 3.373 1.00 0.00 C ATOM 0 H LEU A 15 11.529 1.765 1.190 1.00 0.00 H new ATOM 0 HA LEU A 15 12.302 2.753 3.750 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.691 1.610 2.710 1.00 0.00 H new ATOM 0 HB3 LEU A 15 9.880 2.409 4.259 1.00 0.00 H new ATOM 0 HG LEU A 15 10.433 3.717 1.578 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.322 4.929 1.963 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.059 3.174 1.826 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.036 3.955 3.425 1.00 0.00 H new ATOM 0 HD21 LEU A 15 10.424 5.808 2.885 1.00 0.00 H new ATOM 0 HD22 LEU A 15 10.211 4.867 4.380 1.00 0.00 H new ATOM 0 HD23 LEU A 15 11.704 4.697 3.428 1.00 0.00 H new ATOM 261 N LEU A 16 11.121 -0.336 3.763 1.00 0.00 N ATOM 262 CA LEU A 16 11.238 -1.628 4.424 1.00 0.00 C ATOM 263 C LEU A 16 10.640 -2.726 3.557 1.00 0.00 C ATOM 264 O LEU A 16 9.591 -2.539 2.931 1.00 0.00 O ATOM 265 CB LEU A 16 10.556 -1.619 5.803 1.00 0.00 C ATOM 266 CG LEU A 16 9.037 -1.413 5.801 1.00 0.00 C ATOM 267 CD1 LEU A 16 8.366 -2.435 6.705 1.00 0.00 C ATOM 268 CD2 LEU A 16 8.683 -0.006 6.261 1.00 0.00 C ATOM 0 H LEU A 16 10.400 -0.295 3.043 1.00 0.00 H new ATOM 0 HA LEU A 16 12.300 -1.827 4.572 1.00 0.00 H new ATOM 0 HB2 LEU A 16 10.774 -2.564 6.300 1.00 0.00 H new ATOM 0 HB3 LEU A 16 11.009 -0.831 6.405 1.00 0.00 H new ATOM 0 HG LEU A 16 8.677 -1.547 4.781 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.287 -2.278 6.694 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.589 -3.440 6.347 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.739 -2.321 7.723 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.600 0.118 6.252 1.00 0.00 H new ATOM 0 HD22 LEU A 16 9.058 0.151 7.272 1.00 0.00 H new ATOM 0 HD23 LEU A 16 9.137 0.722 5.589 1.00 0.00 H new ATOM 280 N THR A 17 11.332 -3.852 3.497 1.00 0.00 N ATOM 281 CA THR A 17 10.810 -5.034 2.839 1.00 0.00 C ATOM 282 C THR A 17 9.719 -5.658 3.698 1.00 0.00 C ATOM 283 O THR A 17 9.858 -5.746 4.919 1.00 0.00 O ATOM 284 CB THR A 17 11.919 -6.072 2.602 1.00 0.00 C ATOM 285 OG1 THR A 17 13.066 -5.432 2.037 1.00 0.00 O ATOM 286 CG2 THR A 17 11.442 -7.175 1.669 1.00 0.00 C ATOM 0 H THR A 17 12.262 -3.970 3.899 1.00 0.00 H new ATOM 0 HA THR A 17 10.403 -4.732 1.874 1.00 0.00 H new ATOM 0 HB THR A 17 12.180 -6.519 3.561 1.00 0.00 H new ATOM 0 HG1 THR A 17 12.837 -5.069 1.156 1.00 0.00 H new ATOM 0 HG21 THR A 17 12.245 -7.896 1.518 1.00 0.00 H new ATOM 0 HG22 THR A 17 10.581 -7.678 2.110 1.00 0.00 H new ATOM 0 HG23 THR A 17 11.157 -6.742 0.710 1.00 0.00 H new ATOM 294 N LEU A 18 8.635 -6.079 3.071 1.00 0.00 N ATOM 295 CA LEU A 18 7.534 -6.678 3.803 1.00 0.00 C ATOM 296 C LEU A 18 7.674 -8.193 3.834 1.00 0.00 C ATOM 297 O LEU A 18 8.169 -8.761 4.810 1.00 0.00 O ATOM 298 CB LEU A 18 6.193 -6.288 3.176 1.00 0.00 C ATOM 299 CG LEU A 18 5.928 -4.785 3.082 1.00 0.00 C ATOM 300 CD1 LEU A 18 4.567 -4.523 2.458 1.00 0.00 C ATOM 301 CD2 LEU A 18 6.014 -4.142 4.453 1.00 0.00 C ATOM 0 H LEU A 18 8.494 -6.018 2.063 1.00 0.00 H new ATOM 0 HA LEU A 18 7.563 -6.302 4.826 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.142 -6.713 2.173 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.392 -6.746 3.757 1.00 0.00 H new ATOM 0 HG LEU A 18 6.692 -4.341 2.445 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.395 -3.448 2.399 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.538 -4.951 1.456 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.791 -4.982 3.071 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.823 -3.072 4.366 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.271 -4.591 5.113 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.010 -4.300 4.867 1.00 0.00 H new ATOM 313 N SER A 19 7.279 -8.840 2.744 1.00 0.00 N ATOM 314 CA SER A 19 7.263 -10.301 2.667 1.00 0.00 C ATOM 315 C SER A 19 7.192 -10.739 1.210 1.00 0.00 C ATOM 316 O SER A 19 6.750 -9.972 0.357 1.00 0.00 O ATOM 317 CB SER A 19 6.057 -10.875 3.430 1.00 0.00 C ATOM 318 OG SER A 19 6.094 -10.532 4.806 1.00 0.00 O ATOM 0 H SER A 19 6.963 -8.374 1.894 1.00 0.00 H new ATOM 0 HA SER A 19 8.179 -10.678 3.123 1.00 0.00 H new ATOM 0 HB2 SER A 19 5.134 -10.501 2.987 1.00 0.00 H new ATOM 0 HB3 SER A 19 6.043 -11.960 3.326 1.00 0.00 H new ATOM 0 HG SER A 19 5.312 -10.912 5.259 1.00 0.00 H new ATOM 324 N GLU A 20 7.633 -11.953 0.914 1.00 0.00 N ATOM 325 CA GLU A 20 7.526 -12.474 -0.441 1.00 0.00 C ATOM 326 C GLU A 20 6.349 -13.435 -0.559 1.00 0.00 C ATOM 327 O GLU A 20 6.022 -14.164 0.378 1.00 0.00 O ATOM 328 CB GLU A 20 8.814 -13.171 -0.898 1.00 0.00 C ATOM 329 CG GLU A 20 9.197 -14.394 -0.077 1.00 0.00 C ATOM 330 CD GLU A 20 9.913 -14.037 1.202 1.00 0.00 C ATOM 331 OE1 GLU A 20 9.240 -13.790 2.223 1.00 0.00 O ATOM 332 OE2 GLU A 20 11.157 -13.989 1.192 1.00 0.00 O ATOM 0 H GLU A 20 8.063 -12.589 1.585 1.00 0.00 H new ATOM 0 HA GLU A 20 7.360 -11.618 -1.095 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.700 -13.470 -1.940 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.633 -12.453 -0.860 1.00 0.00 H new ATOM 0 HG2 GLU A 20 8.298 -14.962 0.161 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.835 -15.043 -0.676 1.00 0.00 H new ATOM 339 N ASN A 21 5.715 -13.412 -1.714 1.00 0.00 N ATOM 340 CA ASN A 21 4.592 -14.283 -2.002 1.00 0.00 C ATOM 341 C ASN A 21 4.975 -15.243 -3.122 1.00 0.00 C ATOM 342 O ASN A 21 5.750 -14.877 -4.013 1.00 0.00 O ATOM 343 CB ASN A 21 3.363 -13.467 -2.436 1.00 0.00 C ATOM 344 CG ASN A 21 2.938 -12.396 -1.436 1.00 0.00 C ATOM 345 OD1 ASN A 21 2.457 -11.328 -1.832 1.00 0.00 O ATOM 346 ND2 ASN A 21 3.091 -12.666 -0.147 1.00 0.00 N ATOM 0 H ASN A 21 5.964 -12.788 -2.481 1.00 0.00 H new ATOM 0 HA ASN A 21 4.342 -14.837 -1.097 1.00 0.00 H new ATOM 0 HB2 ASN A 21 3.577 -12.990 -3.393 1.00 0.00 H new ATOM 0 HB3 ASN A 21 2.528 -14.148 -2.599 1.00 0.00 H new ATOM 0 HD21 ASN A 21 2.808 -11.982 0.554 1.00 0.00 H new ATOM 0 HD22 ASN A 21 3.492 -13.558 0.143 1.00 0.00 H new ATOM 353 N GLU A 22 4.465 -16.475 -3.055 1.00 0.00 N ATOM 354 CA GLU A 22 4.633 -17.460 -4.132 1.00 0.00 C ATOM 355 C GLU A 22 6.114 -17.817 -4.339 1.00 0.00 C ATOM 356 O GLU A 22 6.490 -18.397 -5.357 1.00 0.00 O ATOM 357 CB GLU A 22 4.001 -16.911 -5.422 1.00 0.00 C ATOM 358 CG GLU A 22 3.813 -17.938 -6.526 1.00 0.00 C ATOM 359 CD GLU A 22 2.875 -17.451 -7.608 1.00 0.00 C ATOM 360 OE1 GLU A 22 1.645 -17.584 -7.425 1.00 0.00 O ATOM 361 OE2 GLU A 22 3.354 -16.926 -8.638 1.00 0.00 O ATOM 0 H GLU A 22 3.927 -16.819 -2.259 1.00 0.00 H new ATOM 0 HA GLU A 22 4.125 -18.383 -3.853 1.00 0.00 H new ATOM 0 HB2 GLU A 22 3.031 -16.478 -5.179 1.00 0.00 H new ATOM 0 HB3 GLU A 22 4.626 -16.102 -5.800 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.781 -18.176 -6.967 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.423 -18.861 -6.098 1.00 0.00 H new ATOM 368 N LYS A 23 6.931 -17.505 -3.332 1.00 0.00 N ATOM 369 CA LYS A 23 8.380 -17.708 -3.383 1.00 0.00 C ATOM 370 C LYS A 23 9.001 -16.971 -4.570 1.00 0.00 C ATOM 371 O LYS A 23 9.106 -17.511 -5.676 1.00 0.00 O ATOM 372 CB LYS A 23 8.741 -19.195 -3.446 1.00 0.00 C ATOM 373 CG LYS A 23 10.239 -19.448 -3.351 1.00 0.00 C ATOM 374 CD LYS A 23 10.598 -20.876 -3.721 1.00 0.00 C ATOM 375 CE LYS A 23 10.200 -21.195 -5.155 1.00 0.00 C ATOM 376 NZ LYS A 23 10.744 -22.503 -5.601 1.00 0.00 N ATOM 0 H LYS A 23 6.605 -17.102 -2.453 1.00 0.00 H new ATOM 0 HA LYS A 23 8.790 -17.295 -2.461 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.237 -19.720 -2.635 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.366 -19.615 -4.379 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.766 -18.759 -4.011 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.578 -19.240 -2.336 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.670 -21.027 -3.597 1.00 0.00 H new ATOM 0 HD3 LYS A 23 10.099 -21.566 -3.041 1.00 0.00 H new ATOM 0 HE2 LYS A 23 9.113 -21.207 -5.236 1.00 0.00 H new ATOM 0 HE3 LYS A 23 10.561 -20.407 -5.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 10.451 -22.684 -6.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 11.782 -22.484 -5.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 10.380 -23.258 -4.986 1.00 0.00 H new ATOM 390 N GLY A 24 9.401 -15.737 -4.339 1.00 0.00 N ATOM 391 CA GLY A 24 10.020 -14.961 -5.387 1.00 0.00 C ATOM 392 C GLY A 24 9.415 -13.583 -5.508 1.00 0.00 C ATOM 393 O GLY A 24 10.138 -12.587 -5.571 1.00 0.00 O ATOM 0 H GLY A 24 9.309 -15.256 -3.444 1.00 0.00 H new ATOM 0 HA2 GLY A 24 11.088 -14.871 -5.188 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.916 -15.487 -6.336 1.00 0.00 H new ATOM 397 N TRP A 25 8.088 -13.515 -5.515 1.00 0.00 N ATOM 398 CA TRP A 25 7.398 -12.245 -5.673 1.00 0.00 C ATOM 399 C TRP A 25 7.435 -11.474 -4.371 1.00 0.00 C ATOM 400 O TRP A 25 6.567 -11.633 -3.520 1.00 0.00 O ATOM 401 CB TRP A 25 5.953 -12.463 -6.111 1.00 0.00 C ATOM 402 CG TRP A 25 5.839 -13.187 -7.415 1.00 0.00 C ATOM 403 CD1 TRP A 25 5.767 -14.535 -7.602 1.00 0.00 C ATOM 404 CD2 TRP A 25 5.791 -12.595 -8.715 1.00 0.00 C ATOM 405 NE1 TRP A 25 5.681 -14.819 -8.941 1.00 0.00 N ATOM 406 CE2 TRP A 25 5.690 -13.643 -9.644 1.00 0.00 C ATOM 407 CE3 TRP A 25 5.823 -11.278 -9.183 1.00 0.00 C ATOM 408 CZ2 TRP A 25 5.621 -13.417 -11.014 1.00 0.00 C ATOM 409 CZ3 TRP A 25 5.754 -11.056 -10.543 1.00 0.00 C ATOM 410 CH2 TRP A 25 5.653 -12.121 -11.444 1.00 0.00 C ATOM 0 H TRP A 25 7.473 -14.322 -5.413 1.00 0.00 H new ATOM 0 HA TRP A 25 7.907 -11.670 -6.447 1.00 0.00 H new ATOM 0 HB2 TRP A 25 5.427 -13.028 -5.341 1.00 0.00 H new ATOM 0 HB3 TRP A 25 5.455 -11.497 -6.194 1.00 0.00 H new ATOM 0 HD1 TRP A 25 5.776 -15.271 -6.812 1.00 0.00 H new ATOM 0 HE1 TRP A 25 5.620 -15.753 -9.347 1.00 0.00 H new ATOM 0 HE3 TRP A 25 5.900 -10.450 -8.493 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 5.545 -14.237 -11.713 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 5.778 -10.043 -10.918 1.00 0.00 H new ATOM 0 HH2 TRP A 25 5.599 -11.914 -12.503 1.00 0.00 H new ATOM 421 N THR A 26 8.442 -10.643 -4.211 1.00 0.00 N ATOM 422 CA THR A 26 8.644 -9.955 -2.956 1.00 0.00 C ATOM 423 C THR A 26 7.830 -8.672 -2.914 1.00 0.00 C ATOM 424 O THR A 26 7.750 -7.943 -3.895 1.00 0.00 O ATOM 425 CB THR A 26 10.134 -9.632 -2.738 1.00 0.00 C ATOM 426 OG1 THR A 26 10.927 -10.803 -2.991 1.00 0.00 O ATOM 427 CG2 THR A 26 10.377 -9.156 -1.315 1.00 0.00 C ATOM 0 H THR A 26 9.131 -10.428 -4.932 1.00 0.00 H new ATOM 0 HA THR A 26 8.310 -10.616 -2.156 1.00 0.00 H new ATOM 0 HB THR A 26 10.419 -8.838 -3.428 1.00 0.00 H new ATOM 0 HG1 THR A 26 11.874 -10.593 -2.853 1.00 0.00 H new ATOM 0 HG21 THR A 26 11.436 -8.933 -1.182 1.00 0.00 H new ATOM 0 HG22 THR A 26 9.790 -8.257 -1.127 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.080 -9.936 -0.615 1.00 0.00 H new ATOM 435 N LYS A 27 7.216 -8.414 -1.777 1.00 0.00 N ATOM 436 CA LYS A 27 6.446 -7.205 -1.587 1.00 0.00 C ATOM 437 C LYS A 27 7.239 -6.246 -0.719 1.00 0.00 C ATOM 438 O LYS A 27 7.546 -6.555 0.438 1.00 0.00 O ATOM 439 CB LYS A 27 5.105 -7.533 -0.926 1.00 0.00 C ATOM 440 CG LYS A 27 4.014 -6.509 -1.191 1.00 0.00 C ATOM 441 CD LYS A 27 2.763 -6.814 -0.378 1.00 0.00 C ATOM 442 CE LYS A 27 2.333 -8.270 -0.509 1.00 0.00 C ATOM 443 NZ LYS A 27 1.878 -8.610 -1.881 1.00 0.00 N ATOM 0 H LYS A 27 7.237 -9.032 -0.966 1.00 0.00 H new ATOM 0 HA LYS A 27 6.248 -6.742 -2.553 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.767 -8.507 -1.279 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.254 -7.618 0.150 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.379 -5.512 -0.942 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.768 -6.502 -2.253 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.949 -6.585 0.671 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.951 -6.166 -0.707 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.167 -8.917 -0.236 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.528 -8.472 0.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.889 -9.643 -2.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.911 -8.254 -2.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.515 -8.171 -2.577 1.00 0.00 H new ATOM 457 N GLU A 28 7.590 -5.103 -1.285 1.00 0.00 N ATOM 458 CA GLU A 28 8.403 -4.120 -0.591 1.00 0.00 C ATOM 459 C GLU A 28 7.859 -2.723 -0.846 1.00 0.00 C ATOM 460 O GLU A 28 7.226 -2.475 -1.872 1.00 0.00 O ATOM 461 CB GLU A 28 9.859 -4.218 -1.057 1.00 0.00 C ATOM 462 CG GLU A 28 10.807 -3.268 -0.343 1.00 0.00 C ATOM 463 CD GLU A 28 12.245 -3.437 -0.785 1.00 0.00 C ATOM 464 OE1 GLU A 28 12.911 -4.369 -0.297 1.00 0.00 O ATOM 465 OE2 GLU A 28 12.722 -2.633 -1.610 1.00 0.00 O ATOM 0 H GLU A 28 7.322 -4.832 -2.231 1.00 0.00 H new ATOM 0 HA GLU A 28 8.366 -4.320 0.480 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.208 -5.240 -0.910 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.900 -4.018 -2.128 1.00 0.00 H new ATOM 0 HG2 GLU A 28 10.493 -2.241 -0.527 1.00 0.00 H new ATOM 0 HG3 GLU A 28 10.740 -3.434 0.732 1.00 0.00 H new ATOM 472 N ILE A 29 8.084 -1.821 0.096 1.00 0.00 N ATOM 473 CA ILE A 29 7.665 -0.442 -0.066 1.00 0.00 C ATOM 474 C ILE A 29 8.885 0.454 -0.252 1.00 0.00 C ATOM 475 O ILE A 29 9.705 0.613 0.656 1.00 0.00 O ATOM 476 CB ILE A 29 6.833 0.043 1.137 1.00 0.00 C ATOM 477 CG1 ILE A 29 5.674 -0.929 1.393 1.00 0.00 C ATOM 478 CG2 ILE A 29 6.306 1.448 0.881 1.00 0.00 C ATOM 479 CD1 ILE A 29 4.835 -0.579 2.601 1.00 0.00 C ATOM 0 H ILE A 29 8.554 -2.021 0.979 1.00 0.00 H new ATOM 0 HA ILE A 29 7.033 -0.386 -0.953 1.00 0.00 H new ATOM 0 HB ILE A 29 7.469 0.072 2.022 1.00 0.00 H new ATOM 0 HG12 ILE A 29 5.032 -0.954 0.512 1.00 0.00 H new ATOM 0 HG13 ILE A 29 6.077 -1.933 1.522 1.00 0.00 H new ATOM 0 HG21 ILE A 29 5.720 1.779 1.739 1.00 0.00 H new ATOM 0 HG22 ILE A 29 7.144 2.129 0.730 1.00 0.00 H new ATOM 0 HG23 ILE A 29 5.676 1.444 -0.009 1.00 0.00 H new ATOM 0 HD11 ILE A 29 4.037 -1.313 2.715 1.00 0.00 H new ATOM 0 HD12 ILE A 29 5.462 -0.583 3.493 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.401 0.412 2.468 1.00 0.00 H new ATOM 491 N ASN A 30 9.008 1.020 -1.439 1.00 0.00 N ATOM 492 CA ASN A 30 10.163 1.832 -1.788 1.00 0.00 C ATOM 493 C ASN A 30 9.749 3.246 -2.175 1.00 0.00 C ATOM 494 O ASN A 30 8.565 3.570 -2.202 1.00 0.00 O ATOM 495 CB ASN A 30 10.949 1.179 -2.935 1.00 0.00 C ATOM 496 CG ASN A 30 10.049 0.619 -4.027 1.00 0.00 C ATOM 497 OD1 ASN A 30 9.703 -0.561 -4.008 1.00 0.00 O ATOM 498 ND2 ASN A 30 9.661 1.457 -4.977 1.00 0.00 N ATOM 0 H ASN A 30 8.317 0.932 -2.184 1.00 0.00 H new ATOM 0 HA ASN A 30 10.804 1.896 -0.909 1.00 0.00 H new ATOM 0 HB2 ASN A 30 11.625 1.915 -3.370 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.567 0.376 -2.534 1.00 0.00 H new ATOM 0 HD21 ASN A 30 9.053 1.130 -5.728 1.00 0.00 H new ATOM 0 HD22 ASN A 30 9.970 2.429 -4.957 1.00 0.00 H new ATOM 505 N ARG A 31 10.734 4.094 -2.442 1.00 0.00 N ATOM 506 CA ARG A 31 10.476 5.453 -2.896 1.00 0.00 C ATOM 507 C ARG A 31 11.119 5.685 -4.257 1.00 0.00 C ATOM 508 O ARG A 31 12.325 5.483 -4.424 1.00 0.00 O ATOM 509 CB ARG A 31 11.012 6.472 -1.887 1.00 0.00 C ATOM 510 CG ARG A 31 10.336 6.406 -0.529 1.00 0.00 C ATOM 511 CD ARG A 31 10.904 7.444 0.426 1.00 0.00 C ATOM 512 NE ARG A 31 10.658 8.813 -0.033 1.00 0.00 N ATOM 513 CZ ARG A 31 11.164 9.896 0.558 1.00 0.00 C ATOM 514 NH1 ARG A 31 11.961 9.768 1.611 1.00 0.00 N ATOM 515 NH2 ARG A 31 10.876 11.108 0.093 1.00 0.00 N ATOM 0 H ARG A 31 11.723 3.862 -2.351 1.00 0.00 H new ATOM 0 HA ARG A 31 9.397 5.584 -2.984 1.00 0.00 H new ATOM 0 HB2 ARG A 31 12.082 6.312 -1.757 1.00 0.00 H new ATOM 0 HB3 ARG A 31 10.887 7.474 -2.296 1.00 0.00 H new ATOM 0 HG2 ARG A 31 9.264 6.566 -0.647 1.00 0.00 H new ATOM 0 HG3 ARG A 31 10.465 5.410 -0.105 1.00 0.00 H new ATOM 0 HD2 ARG A 31 10.461 7.308 1.412 1.00 0.00 H new ATOM 0 HD3 ARG A 31 11.977 7.286 0.534 1.00 0.00 H new ATOM 0 HE ARG A 31 10.065 8.946 -0.852 1.00 0.00 H new ATOM 0 HH11 ARG A 31 12.187 8.840 1.969 1.00 0.00 H new ATOM 0 HH12 ARG A 31 12.347 10.597 2.062 1.00 0.00 H new ATOM 0 HH21 ARG A 31 10.266 11.211 -0.718 1.00 0.00 H new ATOM 0 HH22 ARG A 31 11.265 11.934 0.547 1.00 0.00 H new ATOM 529 N VAL A 32 10.318 6.107 -5.222 1.00 0.00 N ATOM 530 CA VAL A 32 10.800 6.328 -6.577 1.00 0.00 C ATOM 531 C VAL A 32 10.702 7.805 -6.948 1.00 0.00 C ATOM 532 O VAL A 32 9.667 8.435 -6.740 1.00 0.00 O ATOM 533 CB VAL A 32 10.001 5.494 -7.604 1.00 0.00 C ATOM 534 CG1 VAL A 32 10.564 5.662 -9.007 1.00 0.00 C ATOM 535 CG2 VAL A 32 9.987 4.027 -7.208 1.00 0.00 C ATOM 0 H VAL A 32 9.326 6.304 -5.091 1.00 0.00 H new ATOM 0 HA VAL A 32 11.843 6.012 -6.604 1.00 0.00 H new ATOM 0 HB VAL A 32 8.975 5.862 -7.607 1.00 0.00 H new ATOM 0 HG11 VAL A 32 9.981 5.063 -9.707 1.00 0.00 H new ATOM 0 HG12 VAL A 32 10.512 6.712 -9.297 1.00 0.00 H new ATOM 0 HG13 VAL A 32 11.603 5.332 -9.024 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.420 3.457 -7.944 1.00 0.00 H new ATOM 0 HG22 VAL A 32 11.009 3.651 -7.168 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.522 3.919 -6.228 1.00 0.00 H new ATOM 545 N SER A 33 11.786 8.348 -7.480 1.00 0.00 N ATOM 546 CA SER A 33 11.810 9.729 -7.928 1.00 0.00 C ATOM 547 C SER A 33 11.239 9.818 -9.338 1.00 0.00 C ATOM 548 O SER A 33 11.592 9.014 -10.204 1.00 0.00 O ATOM 549 CB SER A 33 13.244 10.261 -7.895 1.00 0.00 C ATOM 550 OG SER A 33 13.296 11.641 -8.205 1.00 0.00 O ATOM 0 H SER A 33 12.665 7.848 -7.612 1.00 0.00 H new ATOM 0 HA SER A 33 11.199 10.339 -7.262 1.00 0.00 H new ATOM 0 HB2 SER A 33 13.672 10.093 -6.907 1.00 0.00 H new ATOM 0 HB3 SER A 33 13.855 9.705 -8.606 1.00 0.00 H new ATOM 0 HG SER A 33 14.226 11.949 -8.173 1.00 0.00 H new ATOM 556 N PHE A 34 10.343 10.777 -9.558 1.00 0.00 N ATOM 557 CA PHE A 34 9.716 10.955 -10.862 1.00 0.00 C ATOM 558 C PHE A 34 9.963 12.363 -11.392 1.00 0.00 C ATOM 559 O PHE A 34 9.251 13.299 -11.022 1.00 0.00 O ATOM 560 CB PHE A 34 8.205 10.703 -10.785 1.00 0.00 C ATOM 561 CG PHE A 34 7.829 9.303 -10.376 1.00 0.00 C ATOM 562 CD1 PHE A 34 7.893 8.259 -11.285 1.00 0.00 C ATOM 563 CD2 PHE A 34 7.406 9.036 -9.084 1.00 0.00 C ATOM 564 CE1 PHE A 34 7.541 6.976 -10.915 1.00 0.00 C ATOM 565 CE2 PHE A 34 7.052 7.752 -8.709 1.00 0.00 C ATOM 566 CZ PHE A 34 7.120 6.721 -9.625 1.00 0.00 C ATOM 0 H PHE A 34 10.036 11.442 -8.849 1.00 0.00 H new ATOM 0 HA PHE A 34 10.163 10.230 -11.542 1.00 0.00 H new ATOM 0 HB2 PHE A 34 7.767 11.406 -10.076 1.00 0.00 H new ATOM 0 HB3 PHE A 34 7.763 10.915 -11.759 1.00 0.00 H new ATOM 0 HD1 PHE A 34 8.222 8.451 -12.295 1.00 0.00 H new ATOM 0 HD2 PHE A 34 7.352 9.838 -8.363 1.00 0.00 H new ATOM 0 HE1 PHE A 34 7.595 6.172 -11.634 1.00 0.00 H new ATOM 0 HE2 PHE A 34 6.722 7.556 -7.699 1.00 0.00 H new ATOM 0 HZ PHE A 34 6.845 5.718 -9.333 1.00 0.00 H new ATOM 576 N ASN A 35 10.970 12.495 -12.256 1.00 0.00 N ATOM 577 CA ASN A 35 11.332 13.775 -12.875 1.00 0.00 C ATOM 578 C ASN A 35 11.515 14.890 -11.847 1.00 0.00 C ATOM 579 O ASN A 35 10.590 15.656 -11.569 1.00 0.00 O ATOM 580 CB ASN A 35 10.292 14.204 -13.917 1.00 0.00 C ATOM 581 CG ASN A 35 10.422 13.451 -15.227 1.00 0.00 C ATOM 582 OD1 ASN A 35 10.836 12.293 -15.259 1.00 0.00 O ATOM 583 ND2 ASN A 35 10.071 14.107 -16.323 1.00 0.00 N ATOM 0 H ASN A 35 11.560 11.716 -12.548 1.00 0.00 H new ATOM 0 HA ASN A 35 12.290 13.612 -13.369 1.00 0.00 H new ATOM 0 HB2 ASN A 35 9.293 14.047 -13.511 1.00 0.00 H new ATOM 0 HB3 ASN A 35 10.395 15.272 -14.106 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.140 13.652 -17.233 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.732 15.067 -16.256 1.00 0.00 H new ATOM 590 N GLY A 36 12.713 14.986 -11.290 1.00 0.00 N ATOM 591 CA GLY A 36 12.998 16.044 -10.345 1.00 0.00 C ATOM 592 C GLY A 36 13.750 15.555 -9.124 1.00 0.00 C ATOM 593 O GLY A 36 14.935 15.221 -9.206 1.00 0.00 O ATOM 0 H GLY A 36 13.490 14.352 -11.475 1.00 0.00 H new ATOM 0 HA2 GLY A 36 13.583 16.819 -10.840 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.062 16.504 -10.029 1.00 0.00 H new ATOM 597 N ALA A 37 13.057 15.501 -7.999 1.00 0.00 N ATOM 598 CA ALA A 37 13.676 15.131 -6.732 1.00 0.00 C ATOM 599 C ALA A 37 12.709 14.402 -5.783 1.00 0.00 C ATOM 600 O ALA A 37 13.112 13.437 -5.130 1.00 0.00 O ATOM 601 CB ALA A 37 14.269 16.355 -6.047 1.00 0.00 C ATOM 0 H ALA A 37 12.061 15.709 -7.935 1.00 0.00 H new ATOM 0 HA ALA A 37 14.475 14.428 -6.970 1.00 0.00 H new ATOM 0 HB1 ALA A 37 14.726 16.058 -5.103 1.00 0.00 H new ATOM 0 HB2 ALA A 37 15.026 16.802 -6.692 1.00 0.00 H new ATOM 0 HB3 ALA A 37 13.480 17.082 -5.855 1.00 0.00 H new ATOM 607 N PRO A 38 11.438 14.854 -5.657 1.00 0.00 N ATOM 608 CA PRO A 38 10.445 14.199 -4.799 1.00 0.00 C ATOM 609 C PRO A 38 10.313 12.708 -5.085 1.00 0.00 C ATOM 610 O PRO A 38 9.751 12.299 -6.106 1.00 0.00 O ATOM 611 CB PRO A 38 9.127 14.924 -5.118 1.00 0.00 C ATOM 612 CG PRO A 38 9.403 15.718 -6.348 1.00 0.00 C ATOM 613 CD PRO A 38 10.866 16.039 -6.300 1.00 0.00 C ATOM 0 HA PRO A 38 10.731 14.264 -3.749 1.00 0.00 H new ATOM 0 HB2 PRO A 38 8.317 14.213 -5.282 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.823 15.569 -4.293 1.00 0.00 H new ATOM 0 HG2 PRO A 38 9.155 15.150 -7.245 1.00 0.00 H new ATOM 0 HG3 PRO A 38 8.803 16.627 -6.371 1.00 0.00 H new ATOM 0 HD2 PRO A 38 11.278 16.197 -7.297 1.00 0.00 H new ATOM 0 HD3 PRO A 38 11.063 16.945 -5.727 1.00 0.00 H new ATOM 621 N ALA A 39 10.856 11.902 -4.184 1.00 0.00 N ATOM 622 CA ALA A 39 10.763 10.461 -4.299 1.00 0.00 C ATOM 623 C ALA A 39 9.468 9.979 -3.670 1.00 0.00 C ATOM 624 O ALA A 39 9.370 9.842 -2.444 1.00 0.00 O ATOM 625 CB ALA A 39 11.966 9.792 -3.650 1.00 0.00 C ATOM 0 H ALA A 39 11.367 12.227 -3.363 1.00 0.00 H new ATOM 0 HA ALA A 39 10.761 10.188 -5.354 1.00 0.00 H new ATOM 0 HB1 ALA A 39 11.877 8.710 -3.747 1.00 0.00 H new ATOM 0 HB2 ALA A 39 12.879 10.127 -4.143 1.00 0.00 H new ATOM 0 HB3 ALA A 39 12.005 10.059 -2.594 1.00 0.00 H new ATOM 631 N LYS A 40 8.473 9.747 -4.512 1.00 0.00 N ATOM 632 CA LYS A 40 7.157 9.342 -4.049 1.00 0.00 C ATOM 633 C LYS A 40 7.175 7.889 -3.608 1.00 0.00 C ATOM 634 O LYS A 40 8.093 7.140 -3.942 1.00 0.00 O ATOM 635 CB LYS A 40 6.116 9.560 -5.147 1.00 0.00 C ATOM 636 CG LYS A 40 6.035 11.005 -5.613 1.00 0.00 C ATOM 637 CD LYS A 40 4.918 11.217 -6.620 1.00 0.00 C ATOM 638 CE LYS A 40 4.869 12.663 -7.090 1.00 0.00 C ATOM 639 NZ LYS A 40 3.683 12.940 -7.943 1.00 0.00 N ATOM 0 H LYS A 40 8.554 9.833 -5.525 1.00 0.00 H new ATOM 0 HA LYS A 40 6.885 9.957 -3.191 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.356 8.923 -5.998 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.138 9.247 -4.780 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.875 11.655 -4.753 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.986 11.296 -6.060 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.066 10.558 -7.476 1.00 0.00 H new ATOM 0 HD3 LYS A 40 3.963 10.945 -6.170 1.00 0.00 H new ATOM 0 HE2 LYS A 40 4.853 13.324 -6.223 1.00 0.00 H new ATOM 0 HE3 LYS A 40 5.777 12.892 -7.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 3.693 13.937 -8.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 3.710 12.329 -8.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.815 12.748 -7.404 1.00 0.00 H new ATOM 653 N PHE A 41 6.163 7.500 -2.860 1.00 0.00 N ATOM 654 CA PHE A 41 6.126 6.178 -2.265 1.00 0.00 C ATOM 655 C PHE A 41 5.516 5.169 -3.227 1.00 0.00 C ATOM 656 O PHE A 41 4.482 5.422 -3.837 1.00 0.00 O ATOM 657 CB PHE A 41 5.341 6.225 -0.956 1.00 0.00 C ATOM 658 CG PHE A 41 5.884 7.234 0.019 1.00 0.00 C ATOM 659 CD1 PHE A 41 6.903 6.893 0.893 1.00 0.00 C ATOM 660 CD2 PHE A 41 5.379 8.525 0.056 1.00 0.00 C ATOM 661 CE1 PHE A 41 7.409 7.817 1.786 1.00 0.00 C ATOM 662 CE2 PHE A 41 5.881 9.454 0.947 1.00 0.00 C ATOM 663 CZ PHE A 41 6.898 9.099 1.813 1.00 0.00 C ATOM 0 H PHE A 41 5.352 8.082 -2.649 1.00 0.00 H new ATOM 0 HA PHE A 41 7.146 5.858 -2.053 1.00 0.00 H new ATOM 0 HB2 PHE A 41 4.299 6.461 -1.172 1.00 0.00 H new ATOM 0 HB3 PHE A 41 5.355 5.238 -0.494 1.00 0.00 H new ATOM 0 HD1 PHE A 41 7.307 5.892 0.876 1.00 0.00 H new ATOM 0 HD2 PHE A 41 4.585 8.807 -0.619 1.00 0.00 H new ATOM 0 HE1 PHE A 41 8.203 7.537 2.462 1.00 0.00 H new ATOM 0 HE2 PHE A 41 5.479 10.456 0.967 1.00 0.00 H new ATOM 0 HZ PHE A 41 7.292 9.824 2.510 1.00 0.00 H new ATOM 673 N ASP A 42 6.177 4.034 -3.364 1.00 0.00 N ATOM 674 CA ASP A 42 5.747 2.993 -4.279 1.00 0.00 C ATOM 675 C ASP A 42 5.722 1.644 -3.570 1.00 0.00 C ATOM 676 O ASP A 42 6.764 1.108 -3.195 1.00 0.00 O ATOM 677 CB ASP A 42 6.683 2.958 -5.492 1.00 0.00 C ATOM 678 CG ASP A 42 6.412 1.796 -6.433 1.00 0.00 C ATOM 679 OD1 ASP A 42 5.242 1.588 -6.808 1.00 0.00 O ATOM 680 OD2 ASP A 42 7.385 1.115 -6.832 1.00 0.00 O ATOM 0 H ASP A 42 7.026 3.808 -2.845 1.00 0.00 H new ATOM 0 HA ASP A 42 4.736 3.209 -4.624 1.00 0.00 H new ATOM 0 HB2 ASP A 42 6.585 3.893 -6.044 1.00 0.00 H new ATOM 0 HB3 ASP A 42 7.714 2.900 -5.144 1.00 0.00 H new ATOM 685 N ILE A 43 4.523 1.128 -3.343 1.00 0.00 N ATOM 686 CA ILE A 43 4.364 -0.188 -2.743 1.00 0.00 C ATOM 687 C ILE A 43 4.296 -1.218 -3.857 1.00 0.00 C ATOM 688 O ILE A 43 3.280 -1.336 -4.542 1.00 0.00 O ATOM 689 CB ILE A 43 3.094 -0.271 -1.866 1.00 0.00 C ATOM 690 CG1 ILE A 43 3.121 0.833 -0.804 1.00 0.00 C ATOM 691 CG2 ILE A 43 2.992 -1.643 -1.209 1.00 0.00 C ATOM 692 CD1 ILE A 43 1.913 0.843 0.104 1.00 0.00 C ATOM 0 H ILE A 43 3.647 1.600 -3.565 1.00 0.00 H new ATOM 0 HA ILE A 43 5.216 -0.382 -2.092 1.00 0.00 H new ATOM 0 HB ILE A 43 2.217 -0.128 -2.498 1.00 0.00 H new ATOM 0 HG12 ILE A 43 4.018 0.716 -0.196 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.197 1.800 -1.302 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.093 -1.686 -0.595 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.943 -2.413 -1.979 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.868 -1.812 -0.583 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.008 1.653 0.827 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.012 0.992 -0.491 1.00 0.00 H new ATOM 0 HD13 ILE A 43 1.847 -0.108 0.632 1.00 0.00 H new ATOM 704 N ARG A 44 5.376 -1.957 -4.037 1.00 0.00 N ATOM 705 CA ARG A 44 5.569 -2.698 -5.268 1.00 0.00 C ATOM 706 C ARG A 44 5.856 -4.175 -5.018 1.00 0.00 C ATOM 707 O ARG A 44 6.308 -4.567 -3.940 1.00 0.00 O ATOM 708 CB ARG A 44 6.733 -2.066 -6.024 1.00 0.00 C ATOM 709 CG ARG A 44 6.753 -2.369 -7.507 1.00 0.00 C ATOM 710 CD ARG A 44 7.913 -1.657 -8.173 1.00 0.00 C ATOM 711 NE ARG A 44 7.726 -1.538 -9.614 1.00 0.00 N ATOM 712 CZ ARG A 44 7.407 -0.395 -10.219 1.00 0.00 C ATOM 713 NH1 ARG A 44 7.188 0.704 -9.501 1.00 0.00 N ATOM 714 NH2 ARG A 44 7.287 -0.356 -11.539 1.00 0.00 N ATOM 0 H ARG A 44 6.126 -2.059 -3.353 1.00 0.00 H new ATOM 0 HA ARG A 44 4.649 -2.650 -5.850 1.00 0.00 H new ATOM 0 HB2 ARG A 44 6.696 -0.985 -5.887 1.00 0.00 H new ATOM 0 HB3 ARG A 44 7.668 -2.411 -5.582 1.00 0.00 H new ATOM 0 HG2 ARG A 44 6.839 -3.444 -7.664 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.814 -2.054 -7.962 1.00 0.00 H new ATOM 0 HD2 ARG A 44 8.026 -0.664 -7.739 1.00 0.00 H new ATOM 0 HD3 ARG A 44 8.836 -2.200 -7.971 1.00 0.00 H new ATOM 0 HE ARG A 44 7.846 -2.373 -10.188 1.00 0.00 H new ATOM 0 HH11 ARG A 44 7.264 0.673 -8.484 1.00 0.00 H new ATOM 0 HH12 ARG A 44 6.944 1.578 -9.967 1.00 0.00 H new ATOM 0 HH21 ARG A 44 7.439 -1.201 -12.090 1.00 0.00 H new ATOM 0 HH22 ARG A 44 7.043 0.519 -12.003 1.00 0.00 H new ATOM 728 N ALA A 45 5.565 -4.989 -6.024 1.00 0.00 N ATOM 729 CA ALA A 45 5.941 -6.389 -6.016 1.00 0.00 C ATOM 730 C ALA A 45 7.123 -6.607 -6.950 1.00 0.00 C ATOM 731 O ALA A 45 7.166 -6.055 -8.052 1.00 0.00 O ATOM 732 CB ALA A 45 4.764 -7.262 -6.424 1.00 0.00 C ATOM 0 H ALA A 45 5.064 -4.696 -6.863 1.00 0.00 H new ATOM 0 HA ALA A 45 6.233 -6.672 -5.005 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.066 -8.309 -6.412 1.00 0.00 H new ATOM 0 HB2 ALA A 45 3.941 -7.114 -5.725 1.00 0.00 H new ATOM 0 HB3 ALA A 45 4.440 -6.990 -7.428 1.00 0.00 H new ATOM 738 N TRP A 46 8.078 -7.400 -6.504 1.00 0.00 N ATOM 739 CA TRP A 46 9.294 -7.645 -7.260 1.00 0.00 C ATOM 740 C TRP A 46 9.283 -9.060 -7.828 1.00 0.00 C ATOM 741 O TRP A 46 8.913 -10.009 -7.136 1.00 0.00 O ATOM 742 CB TRP A 46 10.521 -7.452 -6.358 1.00 0.00 C ATOM 743 CG TRP A 46 10.671 -6.056 -5.821 1.00 0.00 C ATOM 744 CD1 TRP A 46 9.816 -5.399 -4.980 1.00 0.00 C ATOM 745 CD2 TRP A 46 11.753 -5.149 -6.071 1.00 0.00 C ATOM 746 NE1 TRP A 46 10.289 -4.140 -4.709 1.00 0.00 N ATOM 747 CE2 TRP A 46 11.478 -3.963 -5.362 1.00 0.00 C ATOM 748 CE3 TRP A 46 12.924 -5.227 -6.829 1.00 0.00 C ATOM 749 CZ2 TRP A 46 12.336 -2.864 -5.391 1.00 0.00 C ATOM 750 CZ3 TRP A 46 13.772 -4.137 -6.856 1.00 0.00 C ATOM 751 CH2 TRP A 46 13.475 -2.971 -6.141 1.00 0.00 C ATOM 0 H TRP A 46 8.035 -7.891 -5.611 1.00 0.00 H new ATOM 0 HA TRP A 46 9.344 -6.934 -8.085 1.00 0.00 H new ATOM 0 HB2 TRP A 46 10.457 -8.147 -5.521 1.00 0.00 H new ATOM 0 HB3 TRP A 46 11.418 -7.712 -6.921 1.00 0.00 H new ATOM 0 HD1 TRP A 46 8.899 -5.812 -4.586 1.00 0.00 H new ATOM 0 HE1 TRP A 46 9.829 -3.448 -4.117 1.00 0.00 H new ATOM 0 HE3 TRP A 46 13.162 -6.123 -7.383 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 12.110 -1.962 -4.842 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 14.680 -4.185 -7.439 1.00 0.00 H new ATOM 0 HH2 TRP A 46 14.160 -2.137 -6.182 1.00 0.00 H new ATOM 762 N SER A 47 9.681 -9.192 -9.085 1.00 0.00 N ATOM 763 CA SER A 47 9.696 -10.487 -9.748 1.00 0.00 C ATOM 764 C SER A 47 11.032 -11.186 -9.517 1.00 0.00 C ATOM 765 O SER A 47 12.053 -10.522 -9.328 1.00 0.00 O ATOM 766 CB SER A 47 9.456 -10.308 -11.250 1.00 0.00 C ATOM 767 OG SER A 47 8.270 -9.571 -11.495 1.00 0.00 O ATOM 0 H SER A 47 9.998 -8.417 -9.667 1.00 0.00 H new ATOM 0 HA SER A 47 8.900 -11.103 -9.329 1.00 0.00 H new ATOM 0 HB2 SER A 47 10.306 -9.794 -11.698 1.00 0.00 H new ATOM 0 HB3 SER A 47 9.386 -11.285 -11.729 1.00 0.00 H new ATOM 0 HG SER A 47 7.505 -10.044 -11.107 1.00 0.00 H new ATOM 877 N LYS A 55 2.558 -6.325 -9.272 1.00 0.00 N ATOM 878 CA LYS A 55 1.592 -5.315 -8.871 1.00 0.00 C ATOM 879 C LYS A 55 2.316 -4.179 -8.169 1.00 0.00 C ATOM 880 O LYS A 55 3.486 -4.315 -7.809 1.00 0.00 O ATOM 881 CB LYS A 55 0.533 -5.920 -7.941 1.00 0.00 C ATOM 882 CG LYS A 55 -0.392 -6.915 -8.624 1.00 0.00 C ATOM 883 CD LYS A 55 -1.235 -6.245 -9.698 1.00 0.00 C ATOM 884 CE LYS A 55 -2.096 -7.252 -10.441 1.00 0.00 C ATOM 885 NZ LYS A 55 -1.286 -8.223 -11.225 1.00 0.00 N ATOM 0 HA LYS A 55 1.088 -4.933 -9.759 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.034 -6.416 -7.110 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.066 -5.114 -7.516 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.198 -7.715 -9.070 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.045 -7.375 -7.882 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.872 -5.487 -9.242 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.584 -5.731 -10.405 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -2.715 -7.794 -9.726 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -2.772 -6.722 -11.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.907 -8.754 -11.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.571 -7.711 -11.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.813 -8.884 -10.576 1.00 0.00 H new ATOM 899 N GLY A 56 1.622 -3.073 -7.970 1.00 0.00 N ATOM 900 CA GLY A 56 2.225 -1.928 -7.327 1.00 0.00 C ATOM 901 C GLY A 56 1.366 -0.692 -7.466 1.00 0.00 C ATOM 902 O GLY A 56 0.533 -0.614 -8.371 1.00 0.00 O ATOM 0 H GLY A 56 0.647 -2.947 -8.243 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.382 -2.145 -6.270 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.206 -1.740 -7.763 1.00 0.00 H new ATOM 906 N ILE A 57 1.552 0.268 -6.573 1.00 0.00 N ATOM 907 CA ILE A 57 0.779 1.499 -6.611 1.00 0.00 C ATOM 908 C ILE A 57 1.554 2.637 -5.946 1.00 0.00 C ATOM 909 O ILE A 57 2.102 2.477 -4.849 1.00 0.00 O ATOM 910 CB ILE A 57 -0.609 1.321 -5.941 1.00 0.00 C ATOM 911 CG1 ILE A 57 -1.451 2.594 -6.088 1.00 0.00 C ATOM 912 CG2 ILE A 57 -0.462 0.939 -4.473 1.00 0.00 C ATOM 913 CD1 ILE A 57 -2.871 2.451 -5.576 1.00 0.00 C ATOM 0 H ILE A 57 2.231 0.218 -5.814 1.00 0.00 H new ATOM 0 HA ILE A 57 0.610 1.753 -7.657 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.126 0.508 -6.451 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.961 3.406 -5.551 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.481 2.879 -7.140 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -1.450 0.820 -4.027 1.00 0.00 H new ATOM 0 HG22 ILE A 57 0.087 0.000 -4.394 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.082 1.723 -3.946 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -3.404 3.392 -5.714 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.379 1.661 -6.129 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.852 2.197 -4.516 1.00 0.00 H new ATOM 925 N THR A 58 1.619 3.770 -6.627 1.00 0.00 N ATOM 926 CA THR A 58 2.331 4.929 -6.119 1.00 0.00 C ATOM 927 C THR A 58 1.422 5.792 -5.249 1.00 0.00 C ATOM 928 O THR A 58 0.273 6.063 -5.610 1.00 0.00 O ATOM 929 CB THR A 58 2.895 5.774 -7.277 1.00 0.00 C ATOM 930 OG1 THR A 58 1.861 6.033 -8.237 1.00 0.00 O ATOM 931 CG2 THR A 58 4.053 5.060 -7.957 1.00 0.00 C ATOM 0 H THR A 58 1.184 3.911 -7.539 1.00 0.00 H new ATOM 0 HA THR A 58 3.158 4.566 -5.509 1.00 0.00 H new ATOM 0 HB THR A 58 3.261 6.715 -6.867 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.223 6.572 -8.971 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.433 5.677 -8.771 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.848 4.884 -7.232 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.708 4.106 -8.356 1.00 0.00 H new ATOM 939 N LEU A 59 1.939 6.211 -4.107 1.00 0.00 N ATOM 940 CA LEU A 59 1.186 7.033 -3.176 1.00 0.00 C ATOM 941 C LEU A 59 1.878 8.377 -2.984 1.00 0.00 C ATOM 942 O LEU A 59 3.105 8.441 -2.868 1.00 0.00 O ATOM 943 CB LEU A 59 1.053 6.323 -1.827 1.00 0.00 C ATOM 944 CG LEU A 59 0.402 4.936 -1.875 1.00 0.00 C ATOM 945 CD1 LEU A 59 0.329 4.331 -0.484 1.00 0.00 C ATOM 946 CD2 LEU A 59 -0.984 5.013 -2.489 1.00 0.00 C ATOM 0 H LEU A 59 2.887 5.993 -3.800 1.00 0.00 H new ATOM 0 HA LEU A 59 0.191 7.199 -3.588 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.046 6.225 -1.388 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.470 6.956 -1.158 1.00 0.00 H new ATOM 0 HG LEU A 59 1.021 4.293 -2.501 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.136 3.347 -0.539 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.335 4.234 -0.076 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.264 4.977 0.163 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.427 4.017 -2.513 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.611 5.675 -1.891 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.911 5.402 -3.505 1.00 0.00 H new ATOM 958 N SER A 60 1.094 9.447 -2.967 1.00 0.00 N ATOM 959 CA SER A 60 1.629 10.778 -2.726 1.00 0.00 C ATOM 960 C SER A 60 1.986 10.929 -1.253 1.00 0.00 C ATOM 961 O SER A 60 1.513 10.157 -0.418 1.00 0.00 O ATOM 962 CB SER A 60 0.607 11.838 -3.139 1.00 0.00 C ATOM 963 OG SER A 60 0.062 11.543 -4.415 1.00 0.00 O ATOM 0 H SER A 60 0.086 9.418 -3.117 1.00 0.00 H new ATOM 0 HA SER A 60 2.530 10.916 -3.323 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.192 11.886 -2.400 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.082 12.819 -3.159 1.00 0.00 H new ATOM 0 HG SER A 60 -0.661 10.888 -4.319 1.00 0.00 H new ATOM 969 N ASN A 61 2.818 11.916 -0.936 1.00 0.00 N ATOM 970 CA ASN A 61 3.278 12.131 0.438 1.00 0.00 C ATOM 971 C ASN A 61 2.104 12.246 1.407 1.00 0.00 C ATOM 972 O ASN A 61 2.072 11.574 2.440 1.00 0.00 O ATOM 973 CB ASN A 61 4.152 13.389 0.534 1.00 0.00 C ATOM 974 CG ASN A 61 5.474 13.261 -0.208 1.00 0.00 C ATOM 975 OD1 ASN A 61 5.568 12.594 -1.237 1.00 0.00 O ATOM 976 ND2 ASN A 61 6.511 13.900 0.319 1.00 0.00 N ATOM 0 H ASN A 61 3.190 12.583 -1.612 1.00 0.00 H new ATOM 0 HA ASN A 61 3.874 11.262 0.717 1.00 0.00 H new ATOM 0 HB2 ASN A 61 3.599 14.239 0.133 1.00 0.00 H new ATOM 0 HB3 ASN A 61 4.352 13.605 1.584 1.00 0.00 H new ATOM 0 HD21 ASN A 61 7.425 13.847 -0.131 1.00 0.00 H new ATOM 0 HD22 ASN A 61 6.394 14.444 1.174 1.00 0.00 H new ATOM 983 N GLU A 62 1.133 13.081 1.056 1.00 0.00 N ATOM 984 CA GLU A 62 -0.051 13.284 1.888 1.00 0.00 C ATOM 985 C GLU A 62 -0.853 11.992 2.025 1.00 0.00 C ATOM 986 O GLU A 62 -1.248 11.605 3.126 1.00 0.00 O ATOM 987 CB GLU A 62 -0.934 14.384 1.286 1.00 0.00 C ATOM 988 CG GLU A 62 -2.254 14.579 2.015 1.00 0.00 C ATOM 989 CD GLU A 62 -3.122 15.641 1.375 1.00 0.00 C ATOM 990 OE1 GLU A 62 -3.861 15.322 0.418 1.00 0.00 O ATOM 991 OE2 GLU A 62 -3.069 16.804 1.823 1.00 0.00 O ATOM 0 H GLU A 62 1.141 13.631 0.197 1.00 0.00 H new ATOM 0 HA GLU A 62 0.280 13.589 2.881 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.383 15.324 1.294 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.138 14.143 0.243 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.797 13.634 2.034 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.055 14.853 3.051 1.00 0.00 H new ATOM 998 N GLU A 63 -1.071 11.324 0.902 1.00 0.00 N ATOM 999 CA GLU A 63 -1.880 10.113 0.865 1.00 0.00 C ATOM 1000 C GLU A 63 -1.223 9.000 1.675 1.00 0.00 C ATOM 1001 O GLU A 63 -1.887 8.286 2.432 1.00 0.00 O ATOM 1002 CB GLU A 63 -2.074 9.669 -0.584 1.00 0.00 C ATOM 1003 CG GLU A 63 -2.485 10.807 -1.506 1.00 0.00 C ATOM 1004 CD GLU A 63 -2.708 10.355 -2.932 1.00 0.00 C ATOM 1005 OE1 GLU A 63 -1.772 9.796 -3.540 1.00 0.00 O ATOM 1006 OE2 GLU A 63 -3.822 10.564 -3.455 1.00 0.00 O ATOM 0 H GLU A 63 -0.695 11.603 -0.004 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.852 10.327 1.309 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.146 9.229 -0.950 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.833 8.888 -0.620 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.400 11.263 -1.127 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.714 11.578 -1.490 1.00 0.00 H new ATOM 1013 N PHE A 64 0.087 8.872 1.518 1.00 0.00 N ATOM 1014 CA PHE A 64 0.854 7.864 2.233 1.00 0.00 C ATOM 1015 C PHE A 64 0.798 8.128 3.732 1.00 0.00 C ATOM 1016 O PHE A 64 0.571 7.218 4.524 1.00 0.00 O ATOM 1017 CB PHE A 64 2.304 7.871 1.748 1.00 0.00 C ATOM 1018 CG PHE A 64 3.104 6.678 2.184 1.00 0.00 C ATOM 1019 CD1 PHE A 64 2.983 5.469 1.518 1.00 0.00 C ATOM 1020 CD2 PHE A 64 3.989 6.769 3.245 1.00 0.00 C ATOM 1021 CE1 PHE A 64 3.731 4.374 1.901 1.00 0.00 C ATOM 1022 CE2 PHE A 64 4.736 5.675 3.635 1.00 0.00 C ATOM 1023 CZ PHE A 64 4.607 4.479 2.961 1.00 0.00 C ATOM 0 H PHE A 64 0.644 9.459 0.897 1.00 0.00 H new ATOM 0 HA PHE A 64 0.421 6.883 2.035 1.00 0.00 H new ATOM 0 HB2 PHE A 64 2.311 7.921 0.659 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.793 8.775 2.112 1.00 0.00 H new ATOM 0 HD1 PHE A 64 2.295 5.382 0.690 1.00 0.00 H new ATOM 0 HD2 PHE A 64 4.096 7.705 3.773 1.00 0.00 H new ATOM 0 HE1 PHE A 64 3.631 3.438 1.372 1.00 0.00 H new ATOM 0 HE2 PHE A 64 5.420 5.756 4.467 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.193 3.623 3.264 1.00 0.00 H new ATOM 1033 N GLN A 65 0.991 9.386 4.110 1.00 0.00 N ATOM 1034 CA GLN A 65 0.922 9.793 5.507 1.00 0.00 C ATOM 1035 C GLN A 65 -0.458 9.452 6.075 1.00 0.00 C ATOM 1036 O GLN A 65 -0.573 8.902 7.170 1.00 0.00 O ATOM 1037 CB GLN A 65 1.205 11.299 5.612 1.00 0.00 C ATOM 1038 CG GLN A 65 1.707 11.778 6.971 1.00 0.00 C ATOM 1039 CD GLN A 65 0.647 11.767 8.058 1.00 0.00 C ATOM 1040 OE1 GLN A 65 0.612 10.706 8.845 1.00 0.00 O flip ATOM 1041 NE2 GLN A 65 -0.111 12.722 8.208 1.00 0.00 N flip ATOM 0 H GLN A 65 1.198 10.147 3.463 1.00 0.00 H new ATOM 0 HA GLN A 65 1.672 9.257 6.089 1.00 0.00 H new ATOM 0 HB2 GLN A 65 1.944 11.566 4.856 1.00 0.00 H new ATOM 0 HB3 GLN A 65 0.291 11.841 5.370 1.00 0.00 H new ATOM 0 HG2 GLN A 65 2.539 11.147 7.283 1.00 0.00 H new ATOM 0 HG3 GLN A 65 2.096 12.791 6.867 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -0.053 13.523 7.579 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -0.799 12.714 8.961 1.00 0.00 H new ATOM 1050 N THR A 66 -1.491 9.751 5.298 1.00 0.00 N ATOM 1051 CA THR A 66 -2.872 9.508 5.703 1.00 0.00 C ATOM 1052 C THR A 66 -3.100 8.051 6.125 1.00 0.00 C ATOM 1053 O THR A 66 -3.744 7.782 7.140 1.00 0.00 O ATOM 1054 CB THR A 66 -3.845 9.874 4.562 1.00 0.00 C ATOM 1055 OG1 THR A 66 -3.676 11.255 4.206 1.00 0.00 O ATOM 1056 CG2 THR A 66 -5.293 9.628 4.966 1.00 0.00 C ATOM 0 H THR A 66 -1.397 10.168 4.372 1.00 0.00 H new ATOM 0 HA THR A 66 -3.067 10.144 6.567 1.00 0.00 H new ATOM 0 HB THR A 66 -3.616 9.238 3.707 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.888 11.351 3.632 1.00 0.00 H new ATOM 0 HG21 THR A 66 -5.952 9.896 4.140 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.428 8.575 5.211 1.00 0.00 H new ATOM 0 HG23 THR A 66 -5.536 10.237 5.836 1.00 0.00 H new ATOM 1064 N MET A 67 -2.564 7.107 5.356 1.00 0.00 N ATOM 1065 CA MET A 67 -2.735 5.696 5.694 1.00 0.00 C ATOM 1066 C MET A 67 -1.863 5.330 6.894 1.00 0.00 C ATOM 1067 O MET A 67 -2.222 4.470 7.693 1.00 0.00 O ATOM 1068 CB MET A 67 -2.438 4.785 4.486 1.00 0.00 C ATOM 1069 CG MET A 67 -0.963 4.616 4.137 1.00 0.00 C ATOM 1070 SD MET A 67 -0.150 3.333 5.111 1.00 0.00 S ATOM 1071 CE MET A 67 1.468 3.298 4.349 1.00 0.00 C ATOM 0 H MET A 67 -2.019 7.286 4.513 1.00 0.00 H new ATOM 0 HA MET A 67 -3.778 5.536 5.966 1.00 0.00 H new ATOM 0 HB2 MET A 67 -2.862 3.800 4.683 1.00 0.00 H new ATOM 0 HB3 MET A 67 -2.956 5.186 3.615 1.00 0.00 H new ATOM 0 HG2 MET A 67 -0.871 4.373 3.078 1.00 0.00 H new ATOM 0 HG3 MET A 67 -0.448 5.564 4.293 1.00 0.00 H new ATOM 0 HE1 MET A 67 1.958 2.352 4.578 1.00 0.00 H new ATOM 0 HE2 MET A 67 1.364 3.401 3.269 1.00 0.00 H new ATOM 0 HE3 MET A 67 2.070 4.121 4.735 1.00 0.00 H new ATOM 1081 N VAL A 68 -0.740 6.023 7.033 1.00 0.00 N ATOM 1082 CA VAL A 68 0.202 5.757 8.113 1.00 0.00 C ATOM 1083 C VAL A 68 -0.416 6.032 9.483 1.00 0.00 C ATOM 1084 O VAL A 68 -0.294 5.214 10.395 1.00 0.00 O ATOM 1085 CB VAL A 68 1.498 6.578 7.930 1.00 0.00 C ATOM 1086 CG1 VAL A 68 2.337 6.601 9.198 1.00 0.00 C ATOM 1087 CG2 VAL A 68 2.307 6.010 6.776 1.00 0.00 C ATOM 0 H VAL A 68 -0.458 6.778 6.407 1.00 0.00 H new ATOM 0 HA VAL A 68 0.453 4.697 8.069 1.00 0.00 H new ATOM 0 HB VAL A 68 1.214 7.607 7.707 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.239 7.188 9.027 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.761 7.049 10.008 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.614 5.582 9.470 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.220 6.592 6.651 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.564 4.972 6.988 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.718 6.058 5.860 1.00 0.00 H new ATOM 1097 N ASP A 69 -1.092 7.166 9.632 1.00 0.00 N ATOM 1098 CA ASP A 69 -1.718 7.489 10.913 1.00 0.00 C ATOM 1099 C ASP A 69 -2.970 6.643 11.117 1.00 0.00 C ATOM 1100 O ASP A 69 -3.295 6.256 12.245 1.00 0.00 O ATOM 1101 CB ASP A 69 -2.052 8.984 11.029 1.00 0.00 C ATOM 1102 CG ASP A 69 -3.202 9.422 10.145 1.00 0.00 C ATOM 1103 OD1 ASP A 69 -4.369 9.344 10.590 1.00 0.00 O ATOM 1104 OD2 ASP A 69 -2.942 9.861 9.011 1.00 0.00 O ATOM 0 H ASP A 69 -1.220 7.865 8.900 1.00 0.00 H new ATOM 0 HA ASP A 69 -0.999 7.257 11.699 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -2.295 9.213 12.066 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -1.167 9.566 10.773 1.00 0.00 H new ATOM 1109 N ALA A 70 -3.656 6.331 10.021 1.00 0.00 N ATOM 1110 CA ALA A 70 -4.835 5.483 10.081 1.00 0.00 C ATOM 1111 C ALA A 70 -4.474 4.104 10.624 1.00 0.00 C ATOM 1112 O ALA A 70 -5.116 3.600 11.548 1.00 0.00 O ATOM 1113 CB ALA A 70 -5.473 5.366 8.708 1.00 0.00 C ATOM 0 H ALA A 70 -3.414 6.654 9.084 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.556 5.940 10.758 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.355 4.728 8.770 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.765 6.356 8.357 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -4.758 4.930 8.010 1.00 0.00 H new ATOM 1119 N PHE A 71 -3.428 3.508 10.061 1.00 0.00 N ATOM 1120 CA PHE A 71 -2.969 2.195 10.502 1.00 0.00 C ATOM 1121 C PHE A 71 -2.231 2.289 11.833 1.00 0.00 C ATOM 1122 O PHE A 71 -2.045 1.292 12.518 1.00 0.00 O ATOM 1123 CB PHE A 71 -2.091 1.538 9.437 1.00 0.00 C ATOM 1124 CG PHE A 71 -2.859 1.155 8.202 1.00 0.00 C ATOM 1125 CD1 PHE A 71 -4.045 0.442 8.304 1.00 0.00 C ATOM 1126 CD2 PHE A 71 -2.407 1.517 6.946 1.00 0.00 C ATOM 1127 CE1 PHE A 71 -4.759 0.096 7.175 1.00 0.00 C ATOM 1128 CE2 PHE A 71 -3.119 1.175 5.813 1.00 0.00 C ATOM 1129 CZ PHE A 71 -4.296 0.464 5.927 1.00 0.00 C ATOM 0 H PHE A 71 -2.883 3.912 9.300 1.00 0.00 H new ATOM 0 HA PHE A 71 -3.847 1.567 10.651 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -1.288 2.222 9.162 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -1.622 0.649 9.858 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -4.413 0.155 9.278 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -1.486 2.074 6.850 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -5.679 -0.462 7.267 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -2.755 1.464 4.838 1.00 0.00 H new ATOM 0 HZ PHE A 71 -4.854 0.196 5.042 1.00 0.00 H new ATOM 1139 N LYS A 72 -1.815 3.490 12.198 1.00 0.00 N ATOM 1140 CA LYS A 72 -1.279 3.724 13.533 1.00 0.00 C ATOM 1141 C LYS A 72 -2.381 3.507 14.563 1.00 0.00 C ATOM 1142 O LYS A 72 -2.139 3.036 15.677 1.00 0.00 O ATOM 1143 CB LYS A 72 -0.730 5.150 13.656 1.00 0.00 C ATOM 1144 CG LYS A 72 -0.120 5.457 15.015 1.00 0.00 C ATOM 1145 CD LYS A 72 0.149 6.941 15.190 1.00 0.00 C ATOM 1146 CE LYS A 72 0.832 7.225 16.517 1.00 0.00 C ATOM 1147 NZ LYS A 72 0.937 8.681 16.796 1.00 0.00 N ATOM 0 H LYS A 72 -1.836 4.313 11.596 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.462 3.025 13.711 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.025 5.307 12.885 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.536 5.858 13.461 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.793 5.114 15.801 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.812 4.903 15.129 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.775 7.298 14.372 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.790 7.492 15.137 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.275 6.742 17.320 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.829 6.785 16.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.863 8.887 17.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 0.838 9.213 15.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 0.183 8.964 17.455 1.00 0.00 H new ATOM 1161 N GLY A 73 -3.602 3.842 14.166 1.00 0.00 N ATOM 1162 CA GLY A 73 -4.728 3.757 15.071 1.00 0.00 C ATOM 1163 C GLY A 73 -5.318 2.362 15.182 1.00 0.00 C ATOM 1164 O GLY A 73 -5.882 2.015 16.220 1.00 0.00 O ATOM 0 H GLY A 73 -3.832 4.172 13.229 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -4.413 4.089 16.061 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -5.505 4.445 14.736 1.00 0.00 H new ATOM 1168 N ASN A 74 -5.188 1.551 14.139 1.00 0.00 N ATOM 1169 CA ASN A 74 -5.850 0.248 14.123 1.00 0.00 C ATOM 1170 C ASN A 74 -4.876 -0.882 13.789 1.00 0.00 C ATOM 1171 O ASN A 74 -3.722 -0.634 13.457 1.00 0.00 O ATOM 1172 CB ASN A 74 -7.022 0.247 13.128 1.00 0.00 C ATOM 1173 CG ASN A 74 -6.591 0.079 11.679 1.00 0.00 C ATOM 1174 OD1 ASN A 74 -6.529 -1.035 11.165 1.00 0.00 O ATOM 1175 ND2 ASN A 74 -6.292 1.181 11.010 1.00 0.00 N ATOM 0 H ASN A 74 -4.640 1.765 13.305 1.00 0.00 H new ATOM 0 HA ASN A 74 -6.235 0.070 15.127 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -7.709 -0.558 13.390 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -7.573 1.182 13.228 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -5.999 1.122 10.035 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -6.355 2.089 11.469 1.00 0.00 H new ATOM 1182 N LEU A 75 -5.356 -2.123 13.926 1.00 0.00 N ATOM 1183 CA LEU A 75 -4.599 -3.337 13.573 1.00 0.00 C ATOM 1184 C LEU A 75 -3.472 -3.622 14.569 1.00 0.00 C ATOM 1185 O LEU A 75 -2.857 -4.690 14.534 1.00 0.00 O ATOM 1186 CB LEU A 75 -4.034 -3.245 12.147 1.00 0.00 C ATOM 1187 CG LEU A 75 -3.442 -4.547 11.599 1.00 0.00 C ATOM 1188 CD1 LEU A 75 -4.538 -5.575 11.367 1.00 0.00 C ATOM 1189 CD2 LEU A 75 -2.669 -4.288 10.317 1.00 0.00 C ATOM 0 H LEU A 75 -6.289 -2.319 14.288 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.302 -4.168 13.618 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.829 -2.915 11.478 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -3.262 -2.476 12.127 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.748 -4.946 12.339 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.099 -6.493 10.978 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.044 -5.786 12.309 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.258 -5.184 10.648 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.257 -5.226 9.945 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.338 -3.863 9.568 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.857 -3.589 10.517 1.00 0.00 H new ATOM 1201 N GLU A 76 -3.217 -2.686 15.466 1.00 0.00 N ATOM 1202 CA GLU A 76 -2.156 -2.842 16.444 1.00 0.00 C ATOM 1203 C GLU A 76 -2.587 -3.766 17.578 1.00 0.00 C ATOM 1204 O GLU A 76 -3.488 -3.453 18.359 1.00 0.00 O ATOM 1205 CB GLU A 76 -1.721 -1.472 16.980 1.00 0.00 C ATOM 1206 CG GLU A 76 -0.893 -1.531 18.258 1.00 0.00 C ATOM 1207 CD GLU A 76 0.454 -2.198 18.072 1.00 0.00 C ATOM 1208 OE1 GLU A 76 0.508 -3.444 18.022 1.00 0.00 O ATOM 1209 OE2 GLU A 76 1.468 -1.476 17.996 1.00 0.00 O ATOM 0 H GLU A 76 -3.732 -1.808 15.537 1.00 0.00 H new ATOM 0 HA GLU A 76 -1.300 -3.305 15.953 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -1.143 -0.961 16.210 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.610 -0.869 17.165 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.740 -0.518 18.630 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.455 -2.070 19.021 1.00 0.00 H new ATOM 1451 N THR B 8 -13.684 -14.747 -8.424 1.00 0.00 N ATOM 1452 CA THR B 8 -14.656 -13.808 -7.889 1.00 0.00 C ATOM 1453 C THR B 8 -14.000 -12.886 -6.868 1.00 0.00 C ATOM 1454 O THR B 8 -13.135 -13.316 -6.100 1.00 0.00 O ATOM 1455 CB THR B 8 -15.831 -14.551 -7.225 1.00 0.00 C ATOM 1456 OG1 THR B 8 -15.326 -15.588 -6.368 1.00 0.00 O ATOM 1457 CG2 THR B 8 -16.760 -15.155 -8.270 1.00 0.00 C ATOM 0 HA THR B 8 -15.038 -13.215 -8.720 1.00 0.00 H new ATOM 0 HB THR B 8 -16.401 -13.832 -6.636 1.00 0.00 H new ATOM 0 HG1 THR B 8 -15.220 -16.415 -6.883 1.00 0.00 H new ATOM 0 HG21 THR B 8 -17.580 -15.673 -7.772 1.00 0.00 H new ATOM 0 HG22 THR B 8 -17.162 -14.362 -8.901 1.00 0.00 H new ATOM 0 HG23 THR B 8 -16.204 -15.862 -8.885 1.00 0.00 H new ATOM 1465 N PHE B 9 -14.394 -11.621 -6.871 1.00 0.00 N ATOM 1466 CA PHE B 9 -13.875 -10.663 -5.907 1.00 0.00 C ATOM 1467 C PHE B 9 -15.025 -10.005 -5.149 1.00 0.00 C ATOM 1468 O PHE B 9 -15.910 -9.389 -5.744 1.00 0.00 O ATOM 1469 CB PHE B 9 -12.979 -9.612 -6.587 1.00 0.00 C ATOM 1470 CG PHE B 9 -13.675 -8.737 -7.597 1.00 0.00 C ATOM 1471 CD1 PHE B 9 -13.928 -9.196 -8.878 1.00 0.00 C ATOM 1472 CD2 PHE B 9 -14.069 -7.450 -7.262 1.00 0.00 C ATOM 1473 CE1 PHE B 9 -14.563 -8.392 -9.806 1.00 0.00 C ATOM 1474 CE2 PHE B 9 -14.704 -6.642 -8.186 1.00 0.00 C ATOM 1475 CZ PHE B 9 -14.952 -7.116 -9.460 1.00 0.00 C ATOM 0 H PHE B 9 -15.071 -11.235 -7.529 1.00 0.00 H new ATOM 0 HA PHE B 9 -13.253 -11.200 -5.191 1.00 0.00 H new ATOM 0 HB2 PHE B 9 -12.543 -8.976 -5.817 1.00 0.00 H new ATOM 0 HB3 PHE B 9 -12.154 -10.125 -7.081 1.00 0.00 H new ATOM 0 HD1 PHE B 9 -13.626 -10.195 -9.156 1.00 0.00 H new ATOM 0 HD2 PHE B 9 -13.877 -7.075 -6.268 1.00 0.00 H new ATOM 0 HE1 PHE B 9 -14.754 -8.764 -10.802 1.00 0.00 H new ATOM 0 HE2 PHE B 9 -15.006 -5.642 -7.913 1.00 0.00 H new ATOM 0 HZ PHE B 9 -15.450 -6.487 -10.183 1.00 0.00 H new ATOM 1485 N GLU B 10 -15.019 -10.168 -3.839 1.00 0.00 N ATOM 1486 CA GLU B 10 -16.084 -9.644 -2.995 1.00 0.00 C ATOM 1487 C GLU B 10 -15.563 -8.548 -2.077 1.00 0.00 C ATOM 1488 O GLU B 10 -14.732 -8.799 -1.203 1.00 0.00 O ATOM 1489 CB GLU B 10 -16.694 -10.774 -2.165 1.00 0.00 C ATOM 1490 CG GLU B 10 -17.409 -11.819 -3.002 1.00 0.00 C ATOM 1491 CD GLU B 10 -18.732 -11.327 -3.556 1.00 0.00 C ATOM 1492 OE1 GLU B 10 -18.731 -10.549 -4.528 1.00 0.00 O ATOM 1493 OE2 GLU B 10 -19.785 -11.735 -3.026 1.00 0.00 O ATOM 0 H GLU B 10 -14.285 -10.662 -3.331 1.00 0.00 H new ATOM 0 HA GLU B 10 -16.851 -9.214 -3.639 1.00 0.00 H new ATOM 0 HB2 GLU B 10 -15.905 -11.258 -1.589 1.00 0.00 H new ATOM 0 HB3 GLU B 10 -17.397 -10.350 -1.449 1.00 0.00 H new ATOM 0 HG2 GLU B 10 -16.764 -12.119 -3.828 1.00 0.00 H new ATOM 0 HG3 GLU B 10 -17.583 -12.707 -2.394 1.00 0.00 H new ATOM 1500 N ILE B 11 -16.047 -7.332 -2.289 1.00 0.00 N ATOM 1501 CA ILE B 11 -15.660 -6.204 -1.455 1.00 0.00 C ATOM 1502 C ILE B 11 -16.349 -6.321 -0.102 1.00 0.00 C ATOM 1503 O ILE B 11 -17.552 -6.079 0.022 1.00 0.00 O ATOM 1504 CB ILE B 11 -16.003 -4.833 -2.096 1.00 0.00 C ATOM 1505 CG1 ILE B 11 -15.230 -4.617 -3.408 1.00 0.00 C ATOM 1506 CG2 ILE B 11 -15.697 -3.701 -1.122 1.00 0.00 C ATOM 1507 CD1 ILE B 11 -15.770 -5.390 -4.594 1.00 0.00 C ATOM 0 H ILE B 11 -16.708 -7.102 -3.031 1.00 0.00 H new ATOM 0 HA ILE B 11 -14.576 -6.240 -1.342 1.00 0.00 H new ATOM 0 HB ILE B 11 -17.069 -4.832 -2.325 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -15.240 -3.554 -3.649 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -14.189 -4.899 -3.251 1.00 0.00 H new ATOM 0 HG21 ILE B 11 -15.943 -2.746 -1.586 1.00 0.00 H new ATOM 0 HG22 ILE B 11 -16.291 -3.829 -0.217 1.00 0.00 H new ATOM 0 HG23 ILE B 11 -14.638 -3.718 -0.866 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -15.164 -5.176 -5.474 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -15.734 -6.458 -4.379 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -16.801 -5.092 -4.783 1.00 0.00 H new ATOM 1519 N GLU B 12 -15.590 -6.726 0.900 1.00 0.00 N ATOM 1520 CA GLU B 12 -16.140 -6.973 2.219 1.00 0.00 C ATOM 1521 C GLU B 12 -16.123 -5.715 3.070 1.00 0.00 C ATOM 1522 O GLU B 12 -17.166 -5.170 3.422 1.00 0.00 O ATOM 1523 CB GLU B 12 -15.337 -8.071 2.917 1.00 0.00 C ATOM 1524 CG GLU B 12 -15.406 -9.416 2.219 1.00 0.00 C ATOM 1525 CD GLU B 12 -16.778 -10.042 2.310 1.00 0.00 C ATOM 1526 OE1 GLU B 12 -17.099 -10.617 3.371 1.00 0.00 O ATOM 1527 OE2 GLU B 12 -17.543 -9.970 1.327 1.00 0.00 O ATOM 0 H GLU B 12 -14.586 -6.891 0.824 1.00 0.00 H new ATOM 0 HA GLU B 12 -17.176 -7.290 2.098 1.00 0.00 H new ATOM 0 HB2 GLU B 12 -14.295 -7.760 2.984 1.00 0.00 H new ATOM 0 HB3 GLU B 12 -15.702 -8.182 3.938 1.00 0.00 H new ATOM 0 HG2 GLU B 12 -15.135 -9.293 1.171 1.00 0.00 H new ATOM 0 HG3 GLU B 12 -14.672 -10.090 2.661 1.00 0.00 H new ATOM 1534 N GLU B 13 -14.926 -5.243 3.373 1.00 0.00 N ATOM 1535 CA GLU B 13 -14.752 -4.181 4.345 1.00 0.00 C ATOM 1536 C GLU B 13 -13.903 -3.049 3.776 1.00 0.00 C ATOM 1537 O GLU B 13 -13.018 -3.278 2.952 1.00 0.00 O ATOM 1538 CB GLU B 13 -14.088 -4.760 5.596 1.00 0.00 C ATOM 1539 CG GLU B 13 -13.946 -3.784 6.752 1.00 0.00 C ATOM 1540 CD GLU B 13 -13.251 -4.419 7.932 1.00 0.00 C ATOM 1541 OE1 GLU B 13 -13.940 -5.027 8.779 1.00 0.00 O ATOM 1542 OE2 GLU B 13 -12.011 -4.351 8.002 1.00 0.00 O ATOM 0 H GLU B 13 -14.058 -5.581 2.957 1.00 0.00 H new ATOM 0 HA GLU B 13 -15.728 -3.768 4.598 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -14.668 -5.619 5.933 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -13.098 -5.129 5.327 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -13.383 -2.910 6.424 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -14.932 -3.432 7.056 1.00 0.00 H new ATOM 1549 N HIS B 14 -14.199 -1.832 4.206 1.00 0.00 N ATOM 1550 CA HIS B 14 -13.399 -0.671 3.848 1.00 0.00 C ATOM 1551 C HIS B 14 -12.557 -0.253 5.044 1.00 0.00 C ATOM 1552 O HIS B 14 -13.098 0.181 6.063 1.00 0.00 O ATOM 1553 CB HIS B 14 -14.286 0.509 3.423 1.00 0.00 C ATOM 1554 CG HIS B 14 -15.116 0.259 2.202 1.00 0.00 C ATOM 1555 ND1 HIS B 14 -14.786 0.255 0.889 1.00 0.00 N flip ATOM 1556 CD2 HIS B 14 -16.466 0.010 2.250 1.00 0.00 C flip ATOM 1557 CE1 HIS B 14 -15.934 0.005 0.177 1.00 0.00 C flip ATOM 1558 NE2 HIS B 14 -16.933 -0.140 1.027 1.00 0.00 N flip ATOM 0 H HIS B 14 -14.995 -1.622 4.809 1.00 0.00 H new ATOM 0 HA HIS B 14 -12.761 -0.943 3.007 1.00 0.00 H new ATOM 0 HB2 HIS B 14 -14.948 0.764 4.250 1.00 0.00 H new ATOM 0 HB3 HIS B 14 -13.651 1.377 3.243 1.00 0.00 H new ATOM 0 HD1 HIS B 14 -13.856 0.409 0.500 1.00 0.00 H new ATOM 0 HD2 HIS B 14 -17.055 -0.053 3.153 1.00 0.00 H new ATOM 0 HE1 HIS B 14 -16.007 -0.062 -0.898 1.00 0.00 H new ATOM 1567 N LEU B 15 -11.243 -0.395 4.934 1.00 0.00 N ATOM 1568 CA LEU B 15 -10.349 0.019 6.006 1.00 0.00 C ATOM 1569 C LEU B 15 -10.329 1.536 6.093 1.00 0.00 C ATOM 1570 O LEU B 15 -10.656 2.117 7.130 1.00 0.00 O ATOM 1571 CB LEU B 15 -8.939 -0.523 5.770 1.00 0.00 C ATOM 1572 CG LEU B 15 -8.822 -2.047 5.788 1.00 0.00 C ATOM 1573 CD1 LEU B 15 -7.404 -2.474 5.465 1.00 0.00 C ATOM 1574 CD2 LEU B 15 -9.247 -2.600 7.141 1.00 0.00 C ATOM 0 H LEU B 15 -10.775 -0.791 4.119 1.00 0.00 H new ATOM 0 HA LEU B 15 -10.713 -0.388 6.949 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -8.582 -0.157 4.807 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -8.276 -0.114 6.532 1.00 0.00 H new ATOM 0 HG LEU B 15 -9.488 -2.451 5.026 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -7.339 -3.562 5.482 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -7.131 -2.110 4.475 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -6.721 -2.058 6.206 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -9.157 -3.686 7.135 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -8.606 -2.187 7.920 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -10.283 -2.323 7.338 1.00 0.00 H new ATOM 1586 N LEU B 16 -9.959 2.174 4.990 1.00 0.00 N ATOM 1587 CA LEU B 16 -10.017 3.623 4.887 1.00 0.00 C ATOM 1588 C LEU B 16 -9.910 4.059 3.436 1.00 0.00 C ATOM 1589 O LEU B 16 -9.140 3.492 2.656 1.00 0.00 O ATOM 1590 CB LEU B 16 -8.916 4.300 5.719 1.00 0.00 C ATOM 1591 CG LEU B 16 -7.477 3.961 5.331 1.00 0.00 C ATOM 1592 CD1 LEU B 16 -6.622 5.215 5.351 1.00 0.00 C ATOM 1593 CD2 LEU B 16 -6.899 2.926 6.282 1.00 0.00 C ATOM 0 H LEU B 16 -9.614 1.707 4.152 1.00 0.00 H new ATOM 0 HA LEU B 16 -10.981 3.937 5.287 1.00 0.00 H new ATOM 0 HB2 LEU B 16 -9.046 5.380 5.646 1.00 0.00 H new ATOM 0 HB3 LEU B 16 -9.062 4.031 6.765 1.00 0.00 H new ATOM 0 HG LEU B 16 -7.479 3.547 4.323 1.00 0.00 H new ATOM 0 HD11 LEU B 16 -5.599 4.962 5.073 1.00 0.00 H new ATOM 0 HD12 LEU B 16 -7.022 5.940 4.642 1.00 0.00 H new ATOM 0 HD13 LEU B 16 -6.630 5.645 6.353 1.00 0.00 H new ATOM 0 HD21 LEU B 16 -5.874 2.697 5.991 1.00 0.00 H new ATOM 0 HD22 LEU B 16 -6.908 3.320 7.298 1.00 0.00 H new ATOM 0 HD23 LEU B 16 -7.500 2.018 6.240 1.00 0.00 H new ATOM 1605 N THR B 17 -10.714 5.040 3.071 1.00 0.00 N ATOM 1606 CA THR B 17 -10.622 5.651 1.764 1.00 0.00 C ATOM 1607 C THR B 17 -9.579 6.763 1.806 1.00 0.00 C ATOM 1608 O THR B 17 -9.746 7.750 2.523 1.00 0.00 O ATOM 1609 CB THR B 17 -11.988 6.212 1.314 1.00 0.00 C ATOM 1610 OG1 THR B 17 -12.967 5.157 1.309 1.00 0.00 O ATOM 1611 CG2 THR B 17 -11.897 6.839 -0.072 1.00 0.00 C ATOM 0 H THR B 17 -11.442 5.431 3.668 1.00 0.00 H new ATOM 0 HA THR B 17 -10.323 4.893 1.040 1.00 0.00 H new ATOM 0 HB THR B 17 -12.288 6.988 2.018 1.00 0.00 H new ATOM 0 HG1 THR B 17 -13.054 4.796 0.402 1.00 0.00 H new ATOM 0 HG21 THR B 17 -12.874 7.225 -0.362 1.00 0.00 H new ATOM 0 HG22 THR B 17 -11.175 7.655 -0.055 1.00 0.00 H new ATOM 0 HG23 THR B 17 -11.577 6.086 -0.792 1.00 0.00 H new ATOM 1619 N LEU B 18 -8.490 6.576 1.067 1.00 0.00 N ATOM 1620 CA LEU B 18 -7.377 7.514 1.093 1.00 0.00 C ATOM 1621 C LEU B 18 -7.775 8.851 0.488 1.00 0.00 C ATOM 1622 O LEU B 18 -7.958 9.840 1.202 1.00 0.00 O ATOM 1623 CB LEU B 18 -6.178 6.939 0.332 1.00 0.00 C ATOM 1624 CG LEU B 18 -5.549 5.695 0.950 1.00 0.00 C ATOM 1625 CD1 LEU B 18 -4.423 5.177 0.072 1.00 0.00 C ATOM 1626 CD2 LEU B 18 -5.034 6.007 2.344 1.00 0.00 C ATOM 0 H LEU B 18 -8.356 5.781 0.442 1.00 0.00 H new ATOM 0 HA LEU B 18 -7.099 7.674 2.135 1.00 0.00 H new ATOM 0 HB2 LEU B 18 -6.494 6.700 -0.683 1.00 0.00 H new ATOM 0 HB3 LEU B 18 -5.413 7.712 0.254 1.00 0.00 H new ATOM 0 HG LEU B 18 -6.311 4.919 1.025 1.00 0.00 H new ATOM 0 HD11 LEU B 18 -3.985 4.289 0.528 1.00 0.00 H new ATOM 0 HD12 LEU B 18 -4.816 4.923 -0.912 1.00 0.00 H new ATOM 0 HD13 LEU B 18 -3.658 5.947 -0.031 1.00 0.00 H new ATOM 0 HD21 LEU B 18 -4.587 5.111 2.776 1.00 0.00 H new ATOM 0 HD22 LEU B 18 -4.284 6.796 2.287 1.00 0.00 H new ATOM 0 HD23 LEU B 18 -5.861 6.338 2.972 1.00 0.00 H new ATOM 1638 N SER B 19 -7.937 8.857 -0.825 1.00 0.00 N ATOM 1639 CA SER B 19 -8.197 10.077 -1.566 1.00 0.00 C ATOM 1640 C SER B 19 -8.353 9.760 -3.044 1.00 0.00 C ATOM 1641 O SER B 19 -7.932 8.693 -3.504 1.00 0.00 O ATOM 1642 CB SER B 19 -7.042 11.059 -1.367 1.00 0.00 C ATOM 1643 OG SER B 19 -5.798 10.415 -1.590 1.00 0.00 O ATOM 0 H SER B 19 -7.892 8.019 -1.404 1.00 0.00 H new ATOM 0 HA SER B 19 -9.119 10.528 -1.198 1.00 0.00 H new ATOM 0 HB2 SER B 19 -7.150 11.900 -2.051 1.00 0.00 H new ATOM 0 HB3 SER B 19 -7.072 11.465 -0.356 1.00 0.00 H new ATOM 0 HG SER B 19 -5.386 10.773 -2.404 1.00 0.00 H new ATOM 1649 N GLU B 20 -8.962 10.667 -3.785 1.00 0.00 N ATOM 1650 CA GLU B 20 -9.102 10.482 -5.215 1.00 0.00 C ATOM 1651 C GLU B 20 -8.093 11.351 -5.959 1.00 0.00 C ATOM 1652 O GLU B 20 -7.823 12.489 -5.573 1.00 0.00 O ATOM 1653 CB GLU B 20 -10.532 10.780 -5.676 1.00 0.00 C ATOM 1654 CG GLU B 20 -10.949 12.228 -5.522 1.00 0.00 C ATOM 1655 CD GLU B 20 -12.395 12.445 -5.907 1.00 0.00 C ATOM 1656 OE1 GLU B 20 -12.805 11.975 -6.989 1.00 0.00 O ATOM 1657 OE2 GLU B 20 -13.141 13.056 -5.112 1.00 0.00 O ATOM 0 H GLU B 20 -9.364 11.532 -3.423 1.00 0.00 H new ATOM 0 HA GLU B 20 -8.896 9.437 -5.447 1.00 0.00 H new ATOM 0 HB2 GLU B 20 -10.630 10.496 -6.724 1.00 0.00 H new ATOM 0 HB3 GLU B 20 -11.221 10.154 -5.110 1.00 0.00 H new ATOM 0 HG2 GLU B 20 -10.798 12.541 -4.489 1.00 0.00 H new ATOM 0 HG3 GLU B 20 -10.310 12.857 -6.142 1.00 0.00 H new ATOM 1664 N ASN B 21 -7.526 10.790 -7.008 1.00 0.00 N ATOM 1665 CA ASN B 21 -6.541 11.483 -7.820 1.00 0.00 C ATOM 1666 C ASN B 21 -7.230 12.184 -8.982 1.00 0.00 C ATOM 1667 O ASN B 21 -8.213 11.661 -9.532 1.00 0.00 O ATOM 1668 CB ASN B 21 -5.474 10.512 -8.339 1.00 0.00 C ATOM 1669 CG ASN B 21 -4.625 9.925 -7.225 1.00 0.00 C ATOM 1670 OD1 ASN B 21 -4.950 8.874 -6.666 1.00 0.00 O ATOM 1671 ND2 ASN B 21 -3.530 10.592 -6.896 1.00 0.00 N ATOM 0 H ASN B 21 -7.733 9.842 -7.323 1.00 0.00 H new ATOM 0 HA ASN B 21 -6.043 12.227 -7.198 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -5.959 9.703 -8.885 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -4.829 11.032 -9.047 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -2.921 10.240 -6.157 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -3.295 11.458 -7.382 1.00 0.00 H new ATOM 1678 N GLU B 22 -6.706 13.357 -9.342 1.00 0.00 N ATOM 1679 CA GLU B 22 -7.336 14.238 -10.323 1.00 0.00 C ATOM 1680 C GLU B 22 -8.740 14.600 -9.857 1.00 0.00 C ATOM 1681 O GLU B 22 -8.926 15.552 -9.100 1.00 0.00 O ATOM 1682 CB GLU B 22 -7.383 13.607 -11.725 1.00 0.00 C ATOM 1683 CG GLU B 22 -6.040 13.562 -12.441 1.00 0.00 C ATOM 1684 CD GLU B 22 -5.047 12.614 -11.801 1.00 0.00 C ATOM 1685 OE1 GLU B 22 -5.182 11.387 -11.993 1.00 0.00 O ATOM 1686 OE2 GLU B 22 -4.112 13.093 -11.122 1.00 0.00 O ATOM 0 H GLU B 22 -5.833 13.722 -8.961 1.00 0.00 H new ATOM 0 HA GLU B 22 -6.729 15.140 -10.400 1.00 0.00 H new ATOM 0 HB2 GLU B 22 -7.770 12.591 -11.640 1.00 0.00 H new ATOM 0 HB3 GLU B 22 -8.089 14.167 -12.338 1.00 0.00 H new ATOM 0 HG2 GLU B 22 -6.199 13.264 -13.477 1.00 0.00 H new ATOM 0 HG3 GLU B 22 -5.613 14.565 -12.460 1.00 0.00 H new ATOM 1693 N LYS B 23 -9.710 13.812 -10.295 1.00 0.00 N ATOM 1694 CA LYS B 23 -11.083 13.921 -9.835 1.00 0.00 C ATOM 1695 C LYS B 23 -11.874 12.747 -10.391 1.00 0.00 C ATOM 1696 O LYS B 23 -12.502 12.848 -11.444 1.00 0.00 O ATOM 1697 CB LYS B 23 -11.734 15.239 -10.274 1.00 0.00 C ATOM 1698 CG LYS B 23 -12.892 15.658 -9.382 1.00 0.00 C ATOM 1699 CD LYS B 23 -13.853 16.591 -10.101 1.00 0.00 C ATOM 1700 CE LYS B 23 -14.672 15.845 -11.143 1.00 0.00 C ATOM 1701 NZ LYS B 23 -15.504 14.774 -10.531 1.00 0.00 N ATOM 0 H LYS B 23 -9.564 13.074 -10.984 1.00 0.00 H new ATOM 0 HA LYS B 23 -11.084 13.907 -8.745 1.00 0.00 H new ATOM 0 HB2 LYS B 23 -10.981 16.027 -10.275 1.00 0.00 H new ATOM 0 HB3 LYS B 23 -12.091 15.137 -11.299 1.00 0.00 H new ATOM 0 HG2 LYS B 23 -13.430 14.772 -9.045 1.00 0.00 H new ATOM 0 HG3 LYS B 23 -12.504 16.153 -8.492 1.00 0.00 H new ATOM 0 HD2 LYS B 23 -14.521 17.058 -9.377 1.00 0.00 H new ATOM 0 HD3 LYS B 23 -13.293 17.393 -10.582 1.00 0.00 H new ATOM 0 HE2 LYS B 23 -15.316 16.549 -11.670 1.00 0.00 H new ATOM 0 HE3 LYS B 23 -14.004 15.407 -11.885 1.00 0.00 H new ATOM 0 HZ1 LYS B 23 -16.267 14.510 -11.187 1.00 0.00 H new ATOM 0 HZ2 LYS B 23 -14.911 13.942 -10.337 1.00 0.00 H new ATOM 0 HZ3 LYS B 23 -15.916 15.120 -9.641 1.00 0.00 H new ATOM 1715 N GLY B 24 -11.806 11.620 -9.703 1.00 0.00 N ATOM 1716 CA GLY B 24 -12.460 10.424 -10.185 1.00 0.00 C ATOM 1717 C GLY B 24 -11.640 9.183 -9.915 1.00 0.00 C ATOM 1718 O GLY B 24 -12.196 8.120 -9.635 1.00 0.00 O ATOM 0 H GLY B 24 -11.309 11.512 -8.819 1.00 0.00 H new ATOM 0 HA2 GLY B 24 -13.435 10.326 -9.707 1.00 0.00 H new ATOM 0 HA3 GLY B 24 -12.638 10.515 -11.256 1.00 0.00 H new ATOM 1722 N TRP B 25 -10.314 9.316 -9.990 1.00 0.00 N ATOM 1723 CA TRP B 25 -9.419 8.198 -9.706 1.00 0.00 C ATOM 1724 C TRP B 25 -9.402 7.918 -8.217 1.00 0.00 C ATOM 1725 O TRP B 25 -8.514 8.376 -7.509 1.00 0.00 O ATOM 1726 CB TRP B 25 -7.992 8.504 -10.163 1.00 0.00 C ATOM 1727 CG TRP B 25 -7.771 8.402 -11.637 1.00 0.00 C ATOM 1728 CD1 TRP B 25 -8.325 9.176 -12.617 1.00 0.00 C ATOM 1729 CD2 TRP B 25 -6.906 7.476 -12.294 1.00 0.00 C ATOM 1730 NE1 TRP B 25 -7.858 8.778 -13.847 1.00 0.00 N ATOM 1731 CE2 TRP B 25 -6.983 7.737 -13.673 1.00 0.00 C ATOM 1732 CE3 TRP B 25 -6.072 6.446 -11.846 1.00 0.00 C ATOM 1733 CZ2 TRP B 25 -6.256 7.008 -14.606 1.00 0.00 C ATOM 1734 CZ3 TRP B 25 -5.351 5.723 -12.776 1.00 0.00 C ATOM 1735 CH2 TRP B 25 -5.447 6.007 -14.143 1.00 0.00 C ATOM 0 H TRP B 25 -9.840 10.183 -10.244 1.00 0.00 H new ATOM 0 HA TRP B 25 -9.788 7.329 -10.251 1.00 0.00 H new ATOM 0 HB2 TRP B 25 -7.730 9.511 -9.839 1.00 0.00 H new ATOM 0 HB3 TRP B 25 -7.309 7.820 -9.659 1.00 0.00 H new ATOM 0 HD1 TRP B 25 -9.026 9.981 -12.450 1.00 0.00 H new ATOM 0 HE1 TRP B 25 -8.120 9.190 -14.743 1.00 0.00 H new ATOM 0 HE3 TRP B 25 -5.993 6.220 -10.793 1.00 0.00 H new ATOM 0 HZ2 TRP B 25 -6.327 7.225 -15.662 1.00 0.00 H new ATOM 0 HZ3 TRP B 25 -4.703 4.926 -12.443 1.00 0.00 H new ATOM 0 HH2 TRP B 25 -4.871 5.424 -14.846 1.00 0.00 H new ATOM 1746 N THR B 26 -10.364 7.172 -7.731 1.00 0.00 N ATOM 1747 CA THR B 26 -10.504 7.030 -6.302 1.00 0.00 C ATOM 1748 C THR B 26 -9.616 5.906 -5.799 1.00 0.00 C ATOM 1749 O THR B 26 -9.529 4.846 -6.413 1.00 0.00 O ATOM 1750 CB THR B 26 -11.967 6.789 -5.908 1.00 0.00 C ATOM 1751 OG1 THR B 26 -12.816 7.660 -6.676 1.00 0.00 O ATOM 1752 CG2 THR B 26 -12.163 7.067 -4.427 1.00 0.00 C ATOM 0 H THR B 26 -11.049 6.663 -8.290 1.00 0.00 H new ATOM 0 HA THR B 26 -10.187 7.962 -5.833 1.00 0.00 H new ATOM 0 HB THR B 26 -12.225 5.749 -6.110 1.00 0.00 H new ATOM 0 HG1 THR B 26 -13.619 7.172 -6.955 1.00 0.00 H new ATOM 0 HG21 THR B 26 -13.205 6.893 -4.159 1.00 0.00 H new ATOM 0 HG22 THR B 26 -11.523 6.404 -3.845 1.00 0.00 H new ATOM 0 HG23 THR B 26 -11.902 8.104 -4.214 1.00 0.00 H new ATOM 1760 N LYS B 27 -8.956 6.152 -4.683 1.00 0.00 N ATOM 1761 CA LYS B 27 -7.945 5.249 -4.176 1.00 0.00 C ATOM 1762 C LYS B 27 -8.227 4.913 -2.721 1.00 0.00 C ATOM 1763 O LYS B 27 -8.229 5.795 -1.858 1.00 0.00 O ATOM 1764 CB LYS B 27 -6.576 5.908 -4.337 1.00 0.00 C ATOM 1765 CG LYS B 27 -5.408 5.092 -3.819 1.00 0.00 C ATOM 1766 CD LYS B 27 -4.074 5.741 -4.168 1.00 0.00 C ATOM 1767 CE LYS B 27 -3.873 7.092 -3.481 1.00 0.00 C ATOM 1768 NZ LYS B 27 -4.722 8.176 -4.061 1.00 0.00 N ATOM 0 H LYS B 27 -9.106 6.980 -4.106 1.00 0.00 H new ATOM 0 HA LYS B 27 -7.958 4.315 -4.738 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -6.413 6.118 -5.394 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -6.588 6.867 -3.819 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -5.489 4.984 -2.737 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -5.447 4.089 -4.243 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -3.264 5.070 -3.883 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -4.012 5.875 -5.248 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -4.099 6.990 -2.420 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -2.824 7.380 -3.558 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -4.183 9.065 -4.083 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -5.002 7.917 -5.029 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -5.573 8.301 -3.476 1.00 0.00 H new ATOM 1782 N GLU B 28 -8.477 3.641 -2.459 1.00 0.00 N ATOM 1783 CA GLU B 28 -8.910 3.196 -1.146 1.00 0.00 C ATOM 1784 C GLU B 28 -8.136 1.960 -0.716 1.00 0.00 C ATOM 1785 O GLU B 28 -7.497 1.302 -1.537 1.00 0.00 O ATOM 1786 CB GLU B 28 -10.403 2.865 -1.187 1.00 0.00 C ATOM 1787 CG GLU B 28 -11.244 3.944 -1.845 1.00 0.00 C ATOM 1788 CD GLU B 28 -12.686 3.537 -2.013 1.00 0.00 C ATOM 1789 OE1 GLU B 28 -13.001 2.854 -3.014 1.00 0.00 O ATOM 1790 OE2 GLU B 28 -13.512 3.902 -1.153 1.00 0.00 O ATOM 0 H GLU B 28 -8.386 2.892 -3.146 1.00 0.00 H new ATOM 0 HA GLU B 28 -8.723 3.996 -0.429 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -10.545 1.927 -1.724 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -10.760 2.707 -0.169 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -11.195 4.853 -1.246 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -10.822 4.183 -2.821 1.00 0.00 H new ATOM 1797 N ILE B 29 -8.193 1.656 0.571 1.00 0.00 N ATOM 1798 CA ILE B 29 -7.616 0.429 1.094 1.00 0.00 C ATOM 1799 C ILE B 29 -8.729 -0.418 1.697 1.00 0.00 C ATOM 1800 O ILE B 29 -9.375 -0.009 2.669 1.00 0.00 O ATOM 1801 CB ILE B 29 -6.536 0.710 2.161 1.00 0.00 C ATOM 1802 CG1 ILE B 29 -5.500 1.697 1.614 1.00 0.00 C ATOM 1803 CG2 ILE B 29 -5.861 -0.589 2.584 1.00 0.00 C ATOM 1804 CD1 ILE B 29 -4.446 2.101 2.620 1.00 0.00 C ATOM 0 H ILE B 29 -8.636 2.246 1.275 1.00 0.00 H new ATOM 0 HA ILE B 29 -7.133 -0.102 0.274 1.00 0.00 H new ATOM 0 HB ILE B 29 -7.012 1.153 3.036 1.00 0.00 H new ATOM 0 HG12 ILE B 29 -5.010 1.251 0.748 1.00 0.00 H new ATOM 0 HG13 ILE B 29 -6.015 2.591 1.263 1.00 0.00 H new ATOM 0 HG21 ILE B 29 -5.102 -0.376 3.337 1.00 0.00 H new ATOM 0 HG22 ILE B 29 -6.606 -1.267 3.001 1.00 0.00 H new ATOM 0 HG23 ILE B 29 -5.392 -1.054 1.717 1.00 0.00 H new ATOM 0 HD11 ILE B 29 -3.750 2.801 2.157 1.00 0.00 H new ATOM 0 HD12 ILE B 29 -4.924 2.577 3.476 1.00 0.00 H new ATOM 0 HD13 ILE B 29 -3.903 1.217 2.953 1.00 0.00 H new ATOM 1816 N ASN B 30 -8.963 -1.584 1.115 1.00 0.00 N ATOM 1817 CA ASN B 30 -10.126 -2.391 1.467 1.00 0.00 C ATOM 1818 C ASN B 30 -9.713 -3.784 1.923 1.00 0.00 C ATOM 1819 O ASN B 30 -8.526 -4.086 2.060 1.00 0.00 O ATOM 1820 CB ASN B 30 -11.067 -2.533 0.262 1.00 0.00 C ATOM 1821 CG ASN B 30 -11.184 -1.268 -0.563 1.00 0.00 C ATOM 1822 OD1 ASN B 30 -12.005 -0.395 -0.279 1.00 0.00 O ATOM 1823 ND2 ASN B 30 -10.380 -1.170 -1.611 1.00 0.00 N ATOM 0 H ASN B 30 -8.365 -1.994 0.397 1.00 0.00 H new ATOM 0 HA ASN B 30 -10.638 -1.881 2.283 1.00 0.00 H new ATOM 0 HB2 ASN B 30 -10.709 -3.342 -0.375 1.00 0.00 H new ATOM 0 HB3 ASN B 30 -12.057 -2.820 0.616 1.00 0.00 H new ATOM 0 HD21 ASN B 30 -10.428 -0.350 -2.216 1.00 0.00 H new ATOM 0 HD22 ASN B 30 -9.713 -1.915 -1.813 1.00 0.00 H new ATOM 1830 N ARG B 31 -10.714 -4.612 2.187 1.00 0.00 N ATOM 1831 CA ARG B 31 -10.513 -6.032 2.400 1.00 0.00 C ATOM 1832 C ARG B 31 -11.433 -6.814 1.468 1.00 0.00 C ATOM 1833 O ARG B 31 -12.638 -6.919 1.712 1.00 0.00 O ATOM 1834 CB ARG B 31 -10.770 -6.433 3.860 1.00 0.00 C ATOM 1835 CG ARG B 31 -9.744 -5.881 4.836 1.00 0.00 C ATOM 1836 CD ARG B 31 -9.690 -6.700 6.120 1.00 0.00 C ATOM 1837 NE ARG B 31 -10.910 -6.596 6.923 1.00 0.00 N ATOM 1838 CZ ARG B 31 -11.517 -7.643 7.488 1.00 0.00 C ATOM 1839 NH1 ARG B 31 -11.065 -8.876 7.272 1.00 0.00 N ATOM 1840 NH2 ARG B 31 -12.578 -7.457 8.269 1.00 0.00 N ATOM 0 H ARG B 31 -11.687 -4.315 2.259 1.00 0.00 H new ATOM 0 HA ARG B 31 -9.472 -6.267 2.179 1.00 0.00 H new ATOM 0 HB2 ARG B 31 -11.761 -6.086 4.154 1.00 0.00 H new ATOM 0 HB3 ARG B 31 -10.779 -7.521 3.932 1.00 0.00 H new ATOM 0 HG2 ARG B 31 -8.761 -5.876 4.366 1.00 0.00 H new ATOM 0 HG3 ARG B 31 -9.989 -4.846 5.075 1.00 0.00 H new ATOM 0 HD2 ARG B 31 -9.516 -7.746 5.869 1.00 0.00 H new ATOM 0 HD3 ARG B 31 -8.840 -6.371 6.718 1.00 0.00 H new ATOM 0 HE ARG B 31 -11.319 -5.672 7.059 1.00 0.00 H new ATOM 0 HH11 ARG B 31 -10.252 -9.024 6.673 1.00 0.00 H new ATOM 0 HH12 ARG B 31 -11.531 -9.673 7.705 1.00 0.00 H new ATOM 0 HH21 ARG B 31 -12.929 -6.514 8.437 1.00 0.00 H new ATOM 0 HH22 ARG B 31 -13.041 -8.257 8.700 1.00 0.00 H new ATOM 1854 N VAL B 32 -10.870 -7.330 0.386 1.00 0.00 N ATOM 1855 CA VAL B 32 -11.646 -8.049 -0.618 1.00 0.00 C ATOM 1856 C VAL B 32 -11.377 -9.552 -0.550 1.00 0.00 C ATOM 1857 O VAL B 32 -10.236 -9.986 -0.406 1.00 0.00 O ATOM 1858 CB VAL B 32 -11.330 -7.526 -2.042 1.00 0.00 C ATOM 1859 CG1 VAL B 32 -12.023 -8.360 -3.109 1.00 0.00 C ATOM 1860 CG2 VAL B 32 -11.739 -6.068 -2.169 1.00 0.00 C ATOM 0 H VAL B 32 -9.873 -7.265 0.178 1.00 0.00 H new ATOM 0 HA VAL B 32 -12.700 -7.872 -0.403 1.00 0.00 H new ATOM 0 HB VAL B 32 -10.254 -7.611 -2.197 1.00 0.00 H new ATOM 0 HG11 VAL B 32 -11.779 -7.965 -4.095 1.00 0.00 H new ATOM 0 HG12 VAL B 32 -11.685 -9.394 -3.039 1.00 0.00 H new ATOM 0 HG13 VAL B 32 -13.102 -8.320 -2.959 1.00 0.00 H new ATOM 0 HG21 VAL B 32 -11.512 -5.713 -3.174 1.00 0.00 H new ATOM 0 HG22 VAL B 32 -12.809 -5.973 -1.984 1.00 0.00 H new ATOM 0 HG23 VAL B 32 -11.190 -5.471 -1.440 1.00 0.00 H new ATOM 1870 N SER B 33 -12.445 -10.337 -0.629 1.00 0.00 N ATOM 1871 CA SER B 33 -12.333 -11.787 -0.663 1.00 0.00 C ATOM 1872 C SER B 33 -12.229 -12.276 -2.105 1.00 0.00 C ATOM 1873 O SER B 33 -12.955 -11.802 -2.980 1.00 0.00 O ATOM 1874 CB SER B 33 -13.544 -12.417 0.020 1.00 0.00 C ATOM 1875 OG SER B 33 -13.631 -12.009 1.375 1.00 0.00 O ATOM 0 H SER B 33 -13.403 -9.989 -0.671 1.00 0.00 H new ATOM 0 HA SER B 33 -11.430 -12.084 -0.129 1.00 0.00 H new ATOM 0 HB2 SER B 33 -14.454 -12.132 -0.509 1.00 0.00 H new ATOM 0 HB3 SER B 33 -13.472 -13.503 -0.033 1.00 0.00 H new ATOM 0 HG SER B 33 -14.415 -12.424 1.792 1.00 0.00 H new ATOM 1881 N PHE B 34 -11.324 -13.212 -2.352 1.00 0.00 N ATOM 1882 CA PHE B 34 -11.112 -13.726 -3.698 1.00 0.00 C ATOM 1883 C PHE B 34 -11.455 -15.208 -3.772 1.00 0.00 C ATOM 1884 O PHE B 34 -10.875 -16.019 -3.048 1.00 0.00 O ATOM 1885 CB PHE B 34 -9.664 -13.503 -4.136 1.00 0.00 C ATOM 1886 CG PHE B 34 -9.283 -12.056 -4.241 1.00 0.00 C ATOM 1887 CD1 PHE B 34 -9.646 -11.313 -5.352 1.00 0.00 C ATOM 1888 CD2 PHE B 34 -8.564 -11.436 -3.232 1.00 0.00 C ATOM 1889 CE1 PHE B 34 -9.302 -9.982 -5.458 1.00 0.00 C ATOM 1890 CE2 PHE B 34 -8.214 -10.102 -3.331 1.00 0.00 C ATOM 1891 CZ PHE B 34 -8.584 -9.374 -4.444 1.00 0.00 C ATOM 0 H PHE B 34 -10.726 -13.631 -1.640 1.00 0.00 H new ATOM 0 HA PHE B 34 -11.772 -13.182 -4.373 1.00 0.00 H new ATOM 0 HB2 PHE B 34 -8.999 -13.994 -3.426 1.00 0.00 H new ATOM 0 HB3 PHE B 34 -9.508 -13.982 -5.103 1.00 0.00 H new ATOM 0 HD1 PHE B 34 -10.207 -11.783 -6.147 1.00 0.00 H new ATOM 0 HD2 PHE B 34 -8.274 -12.001 -2.358 1.00 0.00 H new ATOM 0 HE1 PHE B 34 -9.592 -9.416 -6.331 1.00 0.00 H new ATOM 0 HE2 PHE B 34 -7.652 -9.630 -2.539 1.00 0.00 H new ATOM 0 HZ PHE B 34 -8.313 -8.331 -4.523 1.00 0.00 H new ATOM 1901 N ASN B 35 -12.399 -15.540 -4.653 1.00 0.00 N ATOM 1902 CA ASN B 35 -12.860 -16.919 -4.857 1.00 0.00 C ATOM 1903 C ASN B 35 -13.517 -17.478 -3.593 1.00 0.00 C ATOM 1904 O ASN B 35 -14.741 -17.460 -3.466 1.00 0.00 O ATOM 1905 CB ASN B 35 -11.709 -17.828 -5.329 1.00 0.00 C ATOM 1906 CG ASN B 35 -12.119 -19.287 -5.437 1.00 0.00 C ATOM 1907 OD1 ASN B 35 -11.952 -20.059 -4.492 1.00 0.00 O ATOM 1908 ND2 ASN B 35 -12.641 -19.681 -6.586 1.00 0.00 N ATOM 0 H ASN B 35 -12.869 -14.859 -5.249 1.00 0.00 H new ATOM 0 HA ASN B 35 -13.614 -16.900 -5.644 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -11.353 -17.482 -6.300 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -10.874 -17.740 -4.634 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -12.921 -20.654 -6.712 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -12.764 -19.012 -7.346 1.00 0.00 H new ATOM 1915 N GLY B 36 -12.702 -17.953 -2.664 1.00 0.00 N ATOM 1916 CA GLY B 36 -13.210 -18.473 -1.413 1.00 0.00 C ATOM 1917 C GLY B 36 -12.249 -18.212 -0.273 1.00 0.00 C ATOM 1918 O GLY B 36 -12.402 -18.749 0.827 1.00 0.00 O ATOM 0 H GLY B 36 -11.687 -17.987 -2.757 1.00 0.00 H new ATOM 0 HA2 GLY B 36 -14.173 -18.013 -1.191 1.00 0.00 H new ATOM 0 HA3 GLY B 36 -13.383 -19.545 -1.507 1.00 0.00 H new ATOM 1922 N ALA B 37 -11.249 -17.383 -0.542 1.00 0.00 N ATOM 1923 CA ALA B 37 -10.250 -17.033 0.454 1.00 0.00 C ATOM 1924 C ALA B 37 -10.717 -15.828 1.259 1.00 0.00 C ATOM 1925 O ALA B 37 -11.530 -15.038 0.772 1.00 0.00 O ATOM 1926 CB ALA B 37 -8.915 -16.749 -0.224 1.00 0.00 C ATOM 0 H ALA B 37 -11.109 -16.938 -1.449 1.00 0.00 H new ATOM 0 HA ALA B 37 -10.116 -17.871 1.138 1.00 0.00 H new ATOM 0 HB1 ALA B 37 -8.172 -16.488 0.530 1.00 0.00 H new ATOM 0 HB2 ALA B 37 -8.586 -17.636 -0.765 1.00 0.00 H new ATOM 0 HB3 ALA B 37 -9.031 -15.920 -0.922 1.00 0.00 H new ATOM 1932 N PRO B 38 -10.229 -15.676 2.502 1.00 0.00 N ATOM 1933 CA PRO B 38 -10.619 -14.562 3.373 1.00 0.00 C ATOM 1934 C PRO B 38 -10.267 -13.204 2.770 1.00 0.00 C ATOM 1935 O PRO B 38 -9.395 -13.102 1.902 1.00 0.00 O ATOM 1936 CB PRO B 38 -9.821 -14.803 4.659 1.00 0.00 C ATOM 1937 CG PRO B 38 -8.717 -15.723 4.269 1.00 0.00 C ATOM 1938 CD PRO B 38 -9.264 -16.570 3.159 1.00 0.00 C ATOM 0 HA PRO B 38 -11.697 -14.533 3.532 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -9.431 -13.868 5.061 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -10.447 -15.246 5.433 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -7.841 -15.165 3.939 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -8.404 -16.338 5.113 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -8.480 -16.891 2.473 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -9.744 -17.472 3.539 1.00 0.00 H new ATOM 1946 N ALA B 39 -10.956 -12.169 3.234 1.00 0.00 N ATOM 1947 CA ALA B 39 -10.754 -10.819 2.731 1.00 0.00 C ATOM 1948 C ALA B 39 -9.328 -10.349 2.983 1.00 0.00 C ATOM 1949 O ALA B 39 -8.880 -10.267 4.129 1.00 0.00 O ATOM 1950 CB ALA B 39 -11.747 -9.868 3.378 1.00 0.00 C ATOM 0 H ALA B 39 -11.665 -12.242 3.964 1.00 0.00 H new ATOM 0 HA ALA B 39 -10.920 -10.827 1.654 1.00 0.00 H new ATOM 0 HB1 ALA B 39 -11.588 -8.860 2.995 1.00 0.00 H new ATOM 0 HB2 ALA B 39 -12.762 -10.189 3.145 1.00 0.00 H new ATOM 0 HB3 ALA B 39 -11.604 -9.872 4.459 1.00 0.00 H new ATOM 1956 N LYS B 40 -8.619 -10.053 1.907 1.00 0.00 N ATOM 1957 CA LYS B 40 -7.248 -9.591 2.008 1.00 0.00 C ATOM 1958 C LYS B 40 -7.183 -8.088 1.828 1.00 0.00 C ATOM 1959 O LYS B 40 -8.112 -7.476 1.308 1.00 0.00 O ATOM 1960 CB LYS B 40 -6.355 -10.301 0.986 1.00 0.00 C ATOM 1961 CG LYS B 40 -6.178 -11.781 1.283 1.00 0.00 C ATOM 1962 CD LYS B 40 -5.693 -11.989 2.707 1.00 0.00 C ATOM 1963 CE LYS B 40 -5.651 -13.458 3.081 1.00 0.00 C ATOM 1964 NZ LYS B 40 -5.368 -13.640 4.529 1.00 0.00 N ATOM 0 H LYS B 40 -8.972 -10.125 0.953 1.00 0.00 H new ATOM 0 HA LYS B 40 -6.876 -9.835 3.003 1.00 0.00 H new ATOM 0 HB2 LYS B 40 -6.786 -10.184 -0.009 1.00 0.00 H new ATOM 0 HB3 LYS B 40 -5.377 -9.820 0.969 1.00 0.00 H new ATOM 0 HG2 LYS B 40 -7.124 -12.302 1.136 1.00 0.00 H new ATOM 0 HG3 LYS B 40 -5.463 -12.214 0.583 1.00 0.00 H new ATOM 0 HD2 LYS B 40 -4.698 -11.557 2.818 1.00 0.00 H new ATOM 0 HD3 LYS B 40 -6.350 -11.458 3.396 1.00 0.00 H new ATOM 0 HE2 LYS B 40 -6.604 -13.926 2.833 1.00 0.00 H new ATOM 0 HE3 LYS B 40 -4.885 -13.963 2.492 1.00 0.00 H new ATOM 0 HZ1 LYS B 40 -5.346 -14.655 4.753 1.00 0.00 H new ATOM 0 HZ2 LYS B 40 -4.447 -13.214 4.759 1.00 0.00 H new ATOM 0 HZ3 LYS B 40 -6.113 -13.178 5.089 1.00 0.00 H new ATOM 1978 N PHE B 41 -6.084 -7.505 2.263 1.00 0.00 N ATOM 1979 CA PHE B 41 -5.942 -6.061 2.284 1.00 0.00 C ATOM 1980 C PHE B 41 -5.465 -5.567 0.928 1.00 0.00 C ATOM 1981 O PHE B 41 -4.358 -5.884 0.501 1.00 0.00 O ATOM 1982 CB PHE B 41 -4.945 -5.659 3.369 1.00 0.00 C ATOM 1983 CG PHE B 41 -5.111 -6.424 4.656 1.00 0.00 C ATOM 1984 CD1 PHE B 41 -6.024 -6.011 5.610 1.00 0.00 C ATOM 1985 CD2 PHE B 41 -4.347 -7.553 4.909 1.00 0.00 C ATOM 1986 CE1 PHE B 41 -6.173 -6.709 6.794 1.00 0.00 C ATOM 1987 CE2 PHE B 41 -4.493 -8.254 6.091 1.00 0.00 C ATOM 1988 CZ PHE B 41 -5.407 -7.831 7.034 1.00 0.00 C ATOM 0 H PHE B 41 -5.270 -8.013 2.609 1.00 0.00 H new ATOM 0 HA PHE B 41 -6.909 -5.608 2.502 1.00 0.00 H new ATOM 0 HB2 PHE B 41 -3.933 -5.811 2.994 1.00 0.00 H new ATOM 0 HB3 PHE B 41 -5.053 -4.594 3.573 1.00 0.00 H new ATOM 0 HD1 PHE B 41 -6.627 -5.134 5.428 1.00 0.00 H new ATOM 0 HD2 PHE B 41 -3.630 -7.888 4.174 1.00 0.00 H new ATOM 0 HE1 PHE B 41 -6.889 -6.376 7.531 1.00 0.00 H new ATOM 0 HE2 PHE B 41 -3.892 -9.132 6.276 1.00 0.00 H new ATOM 0 HZ PHE B 41 -5.523 -8.377 7.958 1.00 0.00 H new ATOM 1998 N ASP B 42 -6.298 -4.806 0.248 1.00 0.00 N ATOM 1999 CA ASP B 42 -5.957 -4.319 -1.078 1.00 0.00 C ATOM 2000 C ASP B 42 -5.861 -2.802 -1.095 1.00 0.00 C ATOM 2001 O ASP B 42 -6.628 -2.107 -0.428 1.00 0.00 O ATOM 2002 CB ASP B 42 -6.997 -4.774 -2.106 1.00 0.00 C ATOM 2003 CG ASP B 42 -8.378 -4.199 -1.836 1.00 0.00 C ATOM 2004 OD1 ASP B 42 -9.112 -4.780 -1.014 1.00 0.00 O ATOM 2005 OD2 ASP B 42 -8.729 -3.164 -2.446 1.00 0.00 O ATOM 0 H ASP B 42 -7.213 -4.511 0.588 1.00 0.00 H new ATOM 0 HA ASP B 42 -4.985 -4.737 -1.341 1.00 0.00 H new ATOM 0 HB2 ASP B 42 -6.672 -4.475 -3.103 1.00 0.00 H new ATOM 0 HB3 ASP B 42 -7.054 -5.863 -2.102 1.00 0.00 H new ATOM 2010 N ILE B 43 -4.888 -2.298 -1.835 1.00 0.00 N ATOM 2011 CA ILE B 43 -4.810 -0.879 -2.116 1.00 0.00 C ATOM 2012 C ILE B 43 -5.253 -0.650 -3.552 1.00 0.00 C ATOM 2013 O ILE B 43 -4.523 -0.956 -4.500 1.00 0.00 O ATOM 2014 CB ILE B 43 -3.388 -0.319 -1.897 1.00 0.00 C ATOM 2015 CG1 ILE B 43 -2.911 -0.648 -0.479 1.00 0.00 C ATOM 2016 CG2 ILE B 43 -3.364 1.187 -2.131 1.00 0.00 C ATOM 2017 CD1 ILE B 43 -1.505 -0.175 -0.181 1.00 0.00 C ATOM 0 H ILE B 43 -4.141 -2.854 -2.252 1.00 0.00 H new ATOM 0 HA ILE B 43 -5.464 -0.349 -1.424 1.00 0.00 H new ATOM 0 HB ILE B 43 -2.713 -0.786 -2.614 1.00 0.00 H new ATOM 0 HG12 ILE B 43 -3.596 -0.196 0.238 1.00 0.00 H new ATOM 0 HG13 ILE B 43 -2.960 -1.727 -0.331 1.00 0.00 H new ATOM 0 HG21 ILE B 43 -2.354 1.564 -1.972 1.00 0.00 H new ATOM 0 HG22 ILE B 43 -3.675 1.401 -3.154 1.00 0.00 H new ATOM 0 HG23 ILE B 43 -4.047 1.674 -1.435 1.00 0.00 H new ATOM 0 HD11 ILE B 43 -1.239 -0.445 0.841 1.00 0.00 H new ATOM 0 HD12 ILE B 43 -0.808 -0.647 -0.874 1.00 0.00 H new ATOM 0 HD13 ILE B 43 -1.453 0.908 -0.296 1.00 0.00 H new ATOM 2029 N ARG B 44 -6.461 -0.139 -3.699 1.00 0.00 N ATOM 2030 CA ARG B 44 -7.123 -0.078 -4.991 1.00 0.00 C ATOM 2031 C ARG B 44 -7.335 1.357 -5.445 1.00 0.00 C ATOM 2032 O ARG B 44 -7.862 2.183 -4.701 1.00 0.00 O ATOM 2033 CB ARG B 44 -8.472 -0.799 -4.886 1.00 0.00 C ATOM 2034 CG ARG B 44 -9.352 -0.696 -6.124 1.00 0.00 C ATOM 2035 CD ARG B 44 -10.726 -1.292 -5.855 1.00 0.00 C ATOM 2036 NE ARG B 44 -11.634 -1.153 -6.997 1.00 0.00 N ATOM 2037 CZ ARG B 44 -12.943 -0.920 -6.880 1.00 0.00 C ATOM 2038 NH1 ARG B 44 -13.485 -0.717 -5.684 1.00 0.00 N ATOM 2039 NH2 ARG B 44 -13.713 -0.859 -7.963 1.00 0.00 N ATOM 0 H ARG B 44 -7.010 0.245 -2.930 1.00 0.00 H new ATOM 0 HA ARG B 44 -6.489 -0.564 -5.732 1.00 0.00 H new ATOM 0 HB2 ARG B 44 -8.289 -1.853 -4.675 1.00 0.00 H new ATOM 0 HB3 ARG B 44 -9.019 -0.394 -4.035 1.00 0.00 H new ATOM 0 HG2 ARG B 44 -9.454 0.348 -6.419 1.00 0.00 H new ATOM 0 HG3 ARG B 44 -8.880 -1.217 -6.957 1.00 0.00 H new ATOM 0 HD2 ARG B 44 -10.618 -2.348 -5.608 1.00 0.00 H new ATOM 0 HD3 ARG B 44 -11.165 -0.805 -4.985 1.00 0.00 H new ATOM 0 HE ARG B 44 -11.243 -1.239 -7.935 1.00 0.00 H new ATOM 0 HH11 ARG B 44 -12.900 -0.739 -4.849 1.00 0.00 H new ATOM 0 HH12 ARG B 44 -14.486 -0.539 -5.601 1.00 0.00 H new ATOM 0 HH21 ARG B 44 -13.304 -0.991 -8.888 1.00 0.00 H new ATOM 0 HH22 ARG B 44 -14.713 -0.681 -7.868 1.00 0.00 H new ATOM 2053 N ALA B 45 -6.915 1.646 -6.664 1.00 0.00 N ATOM 2054 CA ALA B 45 -7.195 2.925 -7.293 1.00 0.00 C ATOM 2055 C ALA B 45 -8.003 2.698 -8.559 1.00 0.00 C ATOM 2056 O ALA B 45 -7.492 2.177 -9.550 1.00 0.00 O ATOM 2057 CB ALA B 45 -5.907 3.673 -7.603 1.00 0.00 C ATOM 0 H ALA B 45 -6.373 1.005 -7.243 1.00 0.00 H new ATOM 0 HA ALA B 45 -7.774 3.539 -6.603 1.00 0.00 H new ATOM 0 HB1 ALA B 45 -6.145 4.627 -8.073 1.00 0.00 H new ATOM 0 HB2 ALA B 45 -5.358 3.851 -6.678 1.00 0.00 H new ATOM 0 HB3 ALA B 45 -5.294 3.077 -8.280 1.00 0.00 H new ATOM 2063 N TRP B 46 -9.270 3.064 -8.521 1.00 0.00 N ATOM 2064 CA TRP B 46 -10.156 2.818 -9.641 1.00 0.00 C ATOM 2065 C TRP B 46 -10.502 4.109 -10.368 1.00 0.00 C ATOM 2066 O TRP B 46 -10.810 5.128 -9.748 1.00 0.00 O ATOM 2067 CB TRP B 46 -11.422 2.076 -9.188 1.00 0.00 C ATOM 2068 CG TRP B 46 -12.075 2.636 -7.955 1.00 0.00 C ATOM 2069 CD1 TRP B 46 -11.739 2.372 -6.655 1.00 0.00 C ATOM 2070 CD2 TRP B 46 -13.189 3.531 -7.904 1.00 0.00 C ATOM 2071 NE1 TRP B 46 -12.575 3.051 -5.805 1.00 0.00 N ATOM 2072 CE2 TRP B 46 -13.471 3.773 -6.547 1.00 0.00 C ATOM 2073 CE3 TRP B 46 -13.972 4.156 -8.877 1.00 0.00 C ATOM 2074 CZ2 TRP B 46 -14.505 4.611 -6.141 1.00 0.00 C ATOM 2075 CZ3 TRP B 46 -14.996 4.989 -8.472 1.00 0.00 C ATOM 2076 CH2 TRP B 46 -15.256 5.210 -7.115 1.00 0.00 C ATOM 0 H TRP B 46 -9.708 3.532 -7.728 1.00 0.00 H new ATOM 0 HA TRP B 46 -9.629 2.177 -10.348 1.00 0.00 H new ATOM 0 HB2 TRP B 46 -12.145 2.090 -10.003 1.00 0.00 H new ATOM 0 HB3 TRP B 46 -11.168 1.032 -9.005 1.00 0.00 H new ATOM 0 HD1 TRP B 46 -10.933 1.724 -6.344 1.00 0.00 H new ATOM 0 HE1 TRP B 46 -12.535 3.023 -4.786 1.00 0.00 H new ATOM 0 HE3 TRP B 46 -13.780 3.991 -9.927 1.00 0.00 H new ATOM 0 HZ2 TRP B 46 -14.707 4.782 -5.094 1.00 0.00 H new ATOM 0 HZ3 TRP B 46 -15.607 5.479 -9.216 1.00 0.00 H new ATOM 0 HH2 TRP B 46 -16.065 5.866 -6.831 1.00 0.00 H new ATOM 2087 N SER B 47 -10.419 4.056 -11.688 1.00 0.00 N ATOM 2088 CA SER B 47 -10.724 5.199 -12.528 1.00 0.00 C ATOM 2089 C SER B 47 -12.235 5.387 -12.649 1.00 0.00 C ATOM 2090 O SER B 47 -12.999 4.440 -12.450 1.00 0.00 O ATOM 2091 CB SER B 47 -10.104 4.991 -13.911 1.00 0.00 C ATOM 2092 OG SER B 47 -8.723 4.695 -13.809 1.00 0.00 O ATOM 0 H SER B 47 -10.139 3.222 -12.204 1.00 0.00 H new ATOM 0 HA SER B 47 -10.305 6.097 -12.074 1.00 0.00 H new ATOM 0 HB2 SER B 47 -10.617 4.178 -14.425 1.00 0.00 H new ATOM 0 HB3 SER B 47 -10.244 5.888 -14.515 1.00 0.00 H new ATOM 0 HG SER B 47 -8.204 5.520 -13.906 1.00 0.00 H new ATOM 2202 N LYS B 55 -5.127 -0.151 -11.642 1.00 0.00 N ATOM 2203 CA LYS B 55 -4.066 -0.969 -11.048 1.00 0.00 C ATOM 2204 C LYS B 55 -4.026 -0.825 -9.524 1.00 0.00 C ATOM 2205 O LYS B 55 -4.913 -0.216 -8.921 1.00 0.00 O ATOM 2206 CB LYS B 55 -2.701 -0.630 -11.668 1.00 0.00 C ATOM 2207 CG LYS B 55 -2.576 -1.068 -13.120 1.00 0.00 C ATOM 2208 CD LYS B 55 -1.376 -0.431 -13.806 1.00 0.00 C ATOM 2209 CE LYS B 55 -1.168 -0.998 -15.202 1.00 0.00 C ATOM 2210 NZ LYS B 55 -0.140 -0.243 -15.969 1.00 0.00 N ATOM 0 HA LYS B 55 -4.293 -2.012 -11.271 1.00 0.00 H new ATOM 0 HB2 LYS B 55 -2.538 0.446 -11.605 1.00 0.00 H new ATOM 0 HB3 LYS B 55 -1.915 -1.107 -11.083 1.00 0.00 H new ATOM 0 HG2 LYS B 55 -2.485 -2.153 -13.165 1.00 0.00 H new ATOM 0 HG3 LYS B 55 -3.485 -0.802 -13.659 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -1.521 0.648 -13.868 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -0.481 -0.599 -13.207 1.00 0.00 H new ATOM 0 HE2 LYS B 55 -0.868 -2.043 -15.127 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -2.113 -0.976 -15.745 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 -0.032 -0.665 -16.913 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 -0.437 0.749 -16.065 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 0.769 -0.285 -15.465 1.00 0.00 H new ATOM 2224 N GLY B 56 -3.008 -1.414 -8.909 1.00 0.00 N ATOM 2225 CA GLY B 56 -2.901 -1.413 -7.463 1.00 0.00 C ATOM 2226 C GLY B 56 -2.109 -2.605 -6.964 1.00 0.00 C ATOM 2227 O GLY B 56 -1.397 -3.244 -7.743 1.00 0.00 O ATOM 0 H GLY B 56 -2.249 -1.896 -9.391 1.00 0.00 H new ATOM 0 HA2 GLY B 56 -2.421 -0.492 -7.133 1.00 0.00 H new ATOM 0 HA3 GLY B 56 -3.898 -1.428 -7.023 1.00 0.00 H new ATOM 2231 N ILE B 57 -2.228 -2.915 -5.678 1.00 0.00 N ATOM 2232 CA ILE B 57 -1.516 -4.050 -5.099 1.00 0.00 C ATOM 2233 C ILE B 57 -2.282 -4.629 -3.906 1.00 0.00 C ATOM 2234 O ILE B 57 -2.904 -3.895 -3.139 1.00 0.00 O ATOM 2235 CB ILE B 57 -0.080 -3.660 -4.655 1.00 0.00 C ATOM 2236 CG1 ILE B 57 0.669 -4.890 -4.126 1.00 0.00 C ATOM 2237 CG2 ILE B 57 -0.120 -2.561 -3.600 1.00 0.00 C ATOM 2238 CD1 ILE B 57 2.092 -4.610 -3.688 1.00 0.00 C ATOM 0 H ILE B 57 -2.809 -2.398 -5.017 1.00 0.00 H new ATOM 0 HA ILE B 57 -1.442 -4.809 -5.878 1.00 0.00 H new ATOM 0 HB ILE B 57 0.455 -3.276 -5.524 1.00 0.00 H new ATOM 0 HG12 ILE B 57 0.116 -5.303 -3.283 1.00 0.00 H new ATOM 0 HG13 ILE B 57 0.684 -5.654 -4.903 1.00 0.00 H new ATOM 0 HG21 ILE B 57 0.897 -2.304 -3.304 1.00 0.00 H new ATOM 0 HG22 ILE B 57 -0.612 -1.680 -4.011 1.00 0.00 H new ATOM 0 HG23 ILE B 57 -0.674 -2.912 -2.729 1.00 0.00 H new ATOM 0 HD11 ILE B 57 2.550 -5.531 -3.328 1.00 0.00 H new ATOM 0 HD12 ILE B 57 2.664 -4.227 -4.533 1.00 0.00 H new ATOM 0 HD13 ILE B 57 2.087 -3.870 -2.888 1.00 0.00 H new ATOM 2250 N THR B 58 -2.246 -5.947 -3.772 1.00 0.00 N ATOM 2251 CA THR B 58 -2.888 -6.625 -2.657 1.00 0.00 C ATOM 2252 C THR B 58 -1.837 -7.115 -1.657 1.00 0.00 C ATOM 2253 O THR B 58 -0.745 -7.547 -2.046 1.00 0.00 O ATOM 2254 CB THR B 58 -3.727 -7.820 -3.153 1.00 0.00 C ATOM 2255 OG1 THR B 58 -4.510 -7.423 -4.285 1.00 0.00 O ATOM 2256 CG2 THR B 58 -4.650 -8.338 -2.057 1.00 0.00 C ATOM 0 H THR B 58 -1.775 -6.571 -4.427 1.00 0.00 H new ATOM 0 HA THR B 58 -3.549 -5.913 -2.164 1.00 0.00 H new ATOM 0 HB THR B 58 -3.043 -8.621 -3.435 1.00 0.00 H new ATOM 0 HG1 THR B 58 -5.041 -8.185 -4.599 1.00 0.00 H new ATOM 0 HG21 THR B 58 -5.229 -9.180 -2.436 1.00 0.00 H new ATOM 0 HG22 THR B 58 -4.055 -8.662 -1.203 1.00 0.00 H new ATOM 0 HG23 THR B 58 -5.328 -7.543 -1.746 1.00 0.00 H new ATOM 2264 N LEU B 59 -2.163 -7.025 -0.377 1.00 0.00 N ATOM 2265 CA LEU B 59 -1.257 -7.438 0.682 1.00 0.00 C ATOM 2266 C LEU B 59 -1.895 -8.534 1.526 1.00 0.00 C ATOM 2267 O LEU B 59 -3.116 -8.574 1.694 1.00 0.00 O ATOM 2268 CB LEU B 59 -0.887 -6.250 1.581 1.00 0.00 C ATOM 2269 CG LEU B 59 -0.275 -5.034 0.874 1.00 0.00 C ATOM 2270 CD1 LEU B 59 -1.354 -4.116 0.315 1.00 0.00 C ATOM 2271 CD2 LEU B 59 0.636 -4.273 1.827 1.00 0.00 C ATOM 0 H LEU B 59 -3.058 -6.666 -0.045 1.00 0.00 H new ATOM 0 HA LEU B 59 -0.349 -7.822 0.216 1.00 0.00 H new ATOM 0 HB2 LEU B 59 -1.785 -5.925 2.107 1.00 0.00 H new ATOM 0 HB3 LEU B 59 -0.183 -6.598 2.337 1.00 0.00 H new ATOM 0 HG LEU B 59 0.319 -5.396 0.034 1.00 0.00 H new ATOM 0 HD11 LEU B 59 -0.887 -3.264 -0.179 1.00 0.00 H new ATOM 0 HD12 LEU B 59 -1.962 -4.665 -0.404 1.00 0.00 H new ATOM 0 HD13 LEU B 59 -1.987 -3.761 1.128 1.00 0.00 H new ATOM 0 HD21 LEU B 59 1.064 -3.413 1.312 1.00 0.00 H new ATOM 0 HD22 LEU B 59 0.059 -3.932 2.687 1.00 0.00 H new ATOM 0 HD23 LEU B 59 1.438 -4.929 2.165 1.00 0.00 H new ATOM 2283 N SER B 60 -1.071 -9.425 2.051 1.00 0.00 N ATOM 2284 CA SER B 60 -1.553 -10.497 2.902 1.00 0.00 C ATOM 2285 C SER B 60 -1.395 -10.107 4.375 1.00 0.00 C ATOM 2286 O SER B 60 -1.014 -8.980 4.685 1.00 0.00 O ATOM 2287 CB SER B 60 -0.802 -11.793 2.574 1.00 0.00 C ATOM 2288 OG SER B 60 -1.294 -12.900 3.317 1.00 0.00 O ATOM 0 H SER B 60 -0.062 -9.426 1.902 1.00 0.00 H new ATOM 0 HA SER B 60 -2.614 -10.667 2.717 1.00 0.00 H new ATOM 0 HB2 SER B 60 -0.892 -12.004 1.508 1.00 0.00 H new ATOM 0 HB3 SER B 60 0.259 -11.659 2.784 1.00 0.00 H new ATOM 0 HG SER B 60 -0.790 -13.705 3.077 1.00 0.00 H new ATOM 2294 N ASN B 61 -1.671 -11.051 5.268 1.00 0.00 N ATOM 2295 CA ASN B 61 -1.741 -10.783 6.706 1.00 0.00 C ATOM 2296 C ASN B 61 -0.392 -10.341 7.280 1.00 0.00 C ATOM 2297 O ASN B 61 -0.309 -9.323 7.971 1.00 0.00 O ATOM 2298 CB ASN B 61 -2.247 -12.034 7.437 1.00 0.00 C ATOM 2299 CG ASN B 61 -2.316 -11.869 8.947 1.00 0.00 C ATOM 2300 OD1 ASN B 61 -3.303 -11.367 9.486 1.00 0.00 O ATOM 2301 ND2 ASN B 61 -1.293 -12.339 9.641 1.00 0.00 N ATOM 0 H ASN B 61 -1.853 -12.023 5.019 1.00 0.00 H new ATOM 0 HA ASN B 61 -2.437 -9.958 6.858 1.00 0.00 H new ATOM 0 HB2 ASN B 61 -3.238 -12.288 7.062 1.00 0.00 H new ATOM 0 HB3 ASN B 61 -1.592 -12.873 7.201 1.00 0.00 H new ATOM 0 HD21 ASN B 61 -1.304 -12.293 10.660 1.00 0.00 H new ATOM 0 HD22 ASN B 61 -0.493 -12.748 9.157 1.00 0.00 H new ATOM 2308 N GLU B 62 0.657 -11.093 6.975 1.00 0.00 N ATOM 2309 CA GLU B 62 1.973 -10.857 7.567 1.00 0.00 C ATOM 2310 C GLU B 62 2.568 -9.525 7.121 1.00 0.00 C ATOM 2311 O GLU B 62 2.890 -8.671 7.949 1.00 0.00 O ATOM 2312 CB GLU B 62 2.938 -11.997 7.217 1.00 0.00 C ATOM 2313 CG GLU B 62 2.633 -13.316 7.916 1.00 0.00 C ATOM 2314 CD GLU B 62 1.306 -13.913 7.503 1.00 0.00 C ATOM 2315 OE1 GLU B 62 1.171 -14.312 6.330 1.00 0.00 O ATOM 2316 OE2 GLU B 62 0.394 -13.993 8.350 1.00 0.00 O ATOM 0 H GLU B 62 0.625 -11.874 6.320 1.00 0.00 H new ATOM 0 HA GLU B 62 1.834 -10.820 8.647 1.00 0.00 H new ATOM 0 HB2 GLU B 62 2.916 -12.157 6.139 1.00 0.00 H new ATOM 0 HB3 GLU B 62 3.952 -11.690 7.473 1.00 0.00 H new ATOM 0 HG2 GLU B 62 3.429 -14.028 7.698 1.00 0.00 H new ATOM 0 HG3 GLU B 62 2.634 -13.158 8.994 1.00 0.00 H new ATOM 2323 N GLU B 63 2.704 -9.348 5.813 1.00 0.00 N ATOM 2324 CA GLU B 63 3.335 -8.154 5.261 1.00 0.00 C ATOM 2325 C GLU B 63 2.570 -6.886 5.634 1.00 0.00 C ATOM 2326 O GLU B 63 3.172 -5.838 5.877 1.00 0.00 O ATOM 2327 CB GLU B 63 3.472 -8.251 3.738 1.00 0.00 C ATOM 2328 CG GLU B 63 2.210 -8.696 3.020 1.00 0.00 C ATOM 2329 CD GLU B 63 2.144 -10.199 2.833 1.00 0.00 C ATOM 2330 OE1 GLU B 63 1.897 -10.919 3.824 1.00 0.00 O ATOM 2331 OE2 GLU B 63 2.323 -10.659 1.687 1.00 0.00 O ATOM 0 H GLU B 63 2.385 -10.017 5.112 1.00 0.00 H new ATOM 0 HA GLU B 63 4.331 -8.093 5.699 1.00 0.00 H new ATOM 0 HB2 GLU B 63 3.772 -7.277 3.350 1.00 0.00 H new ATOM 0 HB3 GLU B 63 4.275 -8.949 3.502 1.00 0.00 H new ATOM 0 HG2 GLU B 63 1.339 -8.366 3.586 1.00 0.00 H new ATOM 0 HG3 GLU B 63 2.160 -8.210 2.046 1.00 0.00 H new ATOM 2338 N PHE B 64 1.248 -6.987 5.697 1.00 0.00 N ATOM 2339 CA PHE B 64 0.417 -5.841 6.030 1.00 0.00 C ATOM 2340 C PHE B 64 0.666 -5.416 7.475 1.00 0.00 C ATOM 2341 O PHE B 64 0.853 -4.236 7.761 1.00 0.00 O ATOM 2342 CB PHE B 64 -1.060 -6.178 5.821 1.00 0.00 C ATOM 2343 CG PHE B 64 -1.966 -4.981 5.786 1.00 0.00 C ATOM 2344 CD1 PHE B 64 -2.074 -4.216 4.636 1.00 0.00 C ATOM 2345 CD2 PHE B 64 -2.718 -4.628 6.892 1.00 0.00 C ATOM 2346 CE1 PHE B 64 -2.915 -3.122 4.592 1.00 0.00 C ATOM 2347 CE2 PHE B 64 -3.560 -3.535 6.854 1.00 0.00 C ATOM 2348 CZ PHE B 64 -3.659 -2.782 5.703 1.00 0.00 C ATOM 0 H PHE B 64 0.731 -7.849 5.522 1.00 0.00 H new ATOM 0 HA PHE B 64 0.679 -5.013 5.371 1.00 0.00 H new ATOM 0 HB2 PHE B 64 -1.167 -6.728 4.886 1.00 0.00 H new ATOM 0 HB3 PHE B 64 -1.386 -6.843 6.621 1.00 0.00 H new ATOM 0 HD1 PHE B 64 -1.494 -4.478 3.764 1.00 0.00 H new ATOM 0 HD2 PHE B 64 -2.645 -5.215 7.796 1.00 0.00 H new ATOM 0 HE1 PHE B 64 -2.990 -2.533 3.690 1.00 0.00 H new ATOM 0 HE2 PHE B 64 -4.141 -3.270 7.725 1.00 0.00 H new ATOM 0 HZ PHE B 64 -4.318 -1.927 5.671 1.00 0.00 H new ATOM 2358 N GLN B 65 0.695 -6.392 8.375 1.00 0.00 N ATOM 2359 CA GLN B 65 0.952 -6.130 9.788 1.00 0.00 C ATOM 2360 C GLN B 65 2.372 -5.587 9.970 1.00 0.00 C ATOM 2361 O GLN B 65 2.629 -4.766 10.851 1.00 0.00 O ATOM 2362 CB GLN B 65 0.768 -7.422 10.596 1.00 0.00 C ATOM 2363 CG GLN B 65 0.051 -7.249 11.931 1.00 0.00 C ATOM 2364 CD GLN B 65 0.858 -6.482 12.966 1.00 0.00 C ATOM 2365 OE1 GLN B 65 1.654 -7.065 13.701 1.00 0.00 O ATOM 2366 NE2 GLN B 65 0.641 -5.179 13.054 1.00 0.00 N ATOM 0 H GLN B 65 0.543 -7.376 8.151 1.00 0.00 H new ATOM 0 HA GLN B 65 0.245 -5.383 10.149 1.00 0.00 H new ATOM 0 HB2 GLN B 65 0.209 -8.136 9.990 1.00 0.00 H new ATOM 0 HB3 GLN B 65 1.749 -7.860 10.781 1.00 0.00 H new ATOM 0 HG2 GLN B 65 -0.892 -6.730 11.762 1.00 0.00 H new ATOM 0 HG3 GLN B 65 -0.194 -8.233 12.331 1.00 0.00 H new ATOM 0 HE21 GLN B 65 -0.027 -4.730 12.427 1.00 0.00 H new ATOM 0 HE22 GLN B 65 1.142 -4.624 13.748 1.00 0.00 H new ATOM 2375 N THR B 66 3.280 -6.046 9.117 1.00 0.00 N ATOM 2376 CA THR B 66 4.670 -5.608 9.155 1.00 0.00 C ATOM 2377 C THR B 66 4.786 -4.112 8.861 1.00 0.00 C ATOM 2378 O THR B 66 5.424 -3.367 9.616 1.00 0.00 O ATOM 2379 CB THR B 66 5.532 -6.399 8.141 1.00 0.00 C ATOM 2380 OG1 THR B 66 5.422 -7.808 8.391 1.00 0.00 O ATOM 2381 CG2 THR B 66 6.995 -5.984 8.224 1.00 0.00 C ATOM 0 H THR B 66 3.076 -6.727 8.385 1.00 0.00 H new ATOM 0 HA THR B 66 5.040 -5.801 10.162 1.00 0.00 H new ATOM 0 HB THR B 66 5.162 -6.175 7.141 1.00 0.00 H new ATOM 0 HG1 THR B 66 4.551 -8.129 8.077 1.00 0.00 H new ATOM 0 HG21 THR B 66 7.577 -6.556 7.501 1.00 0.00 H new ATOM 0 HG22 THR B 66 7.085 -4.921 8.003 1.00 0.00 H new ATOM 0 HG23 THR B 66 7.372 -6.179 9.228 1.00 0.00 H new ATOM 2389 N MET B 67 4.157 -3.666 7.773 1.00 0.00 N ATOM 2390 CA MET B 67 4.255 -2.271 7.366 1.00 0.00 C ATOM 2391 C MET B 67 3.556 -1.361 8.374 1.00 0.00 C ATOM 2392 O MET B 67 4.042 -0.272 8.672 1.00 0.00 O ATOM 2393 CB MET B 67 3.657 -2.052 5.967 1.00 0.00 C ATOM 2394 CG MET B 67 2.137 -2.000 5.949 1.00 0.00 C ATOM 2395 SD MET B 67 1.459 -1.477 4.367 1.00 0.00 S ATOM 2396 CE MET B 67 -0.230 -1.132 4.859 1.00 0.00 C ATOM 0 H MET B 67 3.580 -4.247 7.165 1.00 0.00 H new ATOM 0 HA MET B 67 5.314 -2.017 7.332 1.00 0.00 H new ATOM 0 HB2 MET B 67 4.048 -1.121 5.557 1.00 0.00 H new ATOM 0 HB3 MET B 67 3.991 -2.855 5.310 1.00 0.00 H new ATOM 0 HG2 MET B 67 1.744 -2.986 6.196 1.00 0.00 H new ATOM 0 HG3 MET B 67 1.795 -1.317 6.726 1.00 0.00 H new ATOM 0 HE1 MET B 67 -0.885 -1.211 3.991 1.00 0.00 H new ATOM 0 HE2 MET B 67 -0.542 -1.851 5.617 1.00 0.00 H new ATOM 0 HE3 MET B 67 -0.291 -0.124 5.268 1.00 0.00 H new ATOM 2406 N VAL B 68 2.428 -1.824 8.912 1.00 0.00 N ATOM 2407 CA VAL B 68 1.629 -1.018 9.825 1.00 0.00 C ATOM 2408 C VAL B 68 2.424 -0.644 11.068 1.00 0.00 C ATOM 2409 O VAL B 68 2.568 0.535 11.374 1.00 0.00 O ATOM 2410 CB VAL B 68 0.317 -1.737 10.214 1.00 0.00 C ATOM 2411 CG1 VAL B 68 -0.365 -1.057 11.393 1.00 0.00 C ATOM 2412 CG2 VAL B 68 -0.614 -1.781 9.012 1.00 0.00 C ATOM 0 H VAL B 68 2.050 -2.753 8.729 1.00 0.00 H new ATOM 0 HA VAL B 68 1.365 -0.100 9.300 1.00 0.00 H new ATOM 0 HB VAL B 68 0.560 -2.754 10.522 1.00 0.00 H new ATOM 0 HG11 VAL B 68 -1.284 -1.590 11.638 1.00 0.00 H new ATOM 0 HG12 VAL B 68 0.302 -1.068 12.255 1.00 0.00 H new ATOM 0 HG13 VAL B 68 -0.602 -0.026 11.131 1.00 0.00 H new ATOM 0 HG21 VAL B 68 -1.539 -2.288 9.287 1.00 0.00 H new ATOM 0 HG22 VAL B 68 -0.839 -0.765 8.689 1.00 0.00 H new ATOM 0 HG23 VAL B 68 -0.132 -2.322 8.198 1.00 0.00 H new ATOM 2422 N ASP B 69 2.952 -1.647 11.760 1.00 0.00 N ATOM 2423 CA ASP B 69 3.791 -1.419 12.938 1.00 0.00 C ATOM 2424 C ASP B 69 4.930 -0.451 12.612 1.00 0.00 C ATOM 2425 O ASP B 69 5.176 0.513 13.350 1.00 0.00 O ATOM 2426 CB ASP B 69 4.365 -2.747 13.444 1.00 0.00 C ATOM 2427 CG ASP B 69 4.929 -2.650 14.849 1.00 0.00 C ATOM 2428 OD1 ASP B 69 6.017 -2.065 15.028 1.00 0.00 O ATOM 2429 OD2 ASP B 69 4.285 -3.176 15.782 1.00 0.00 O ATOM 0 H ASP B 69 2.815 -2.631 11.527 1.00 0.00 H new ATOM 0 HA ASP B 69 3.171 -0.977 13.718 1.00 0.00 H new ATOM 0 HB2 ASP B 69 3.583 -3.506 13.424 1.00 0.00 H new ATOM 0 HB3 ASP B 69 5.150 -3.080 12.765 1.00 0.00 H new ATOM 2434 N ALA B 70 5.602 -0.691 11.487 1.00 0.00 N ATOM 2435 CA ALA B 70 6.730 0.131 11.071 1.00 0.00 C ATOM 2436 C ALA B 70 6.329 1.595 10.929 1.00 0.00 C ATOM 2437 O ALA B 70 6.877 2.462 11.608 1.00 0.00 O ATOM 2438 CB ALA B 70 7.297 -0.389 9.764 1.00 0.00 C ATOM 0 H ALA B 70 5.381 -1.453 10.846 1.00 0.00 H new ATOM 0 HA ALA B 70 7.496 0.070 11.844 1.00 0.00 H new ATOM 0 HB1 ALA B 70 8.140 0.232 9.461 1.00 0.00 H new ATOM 0 HB2 ALA B 70 7.633 -1.417 9.897 1.00 0.00 H new ATOM 0 HB3 ALA B 70 6.526 -0.356 8.994 1.00 0.00 H new ATOM 2444 N PHE B 71 5.354 1.861 10.061 1.00 0.00 N ATOM 2445 CA PHE B 71 4.926 3.229 9.789 1.00 0.00 C ATOM 2446 C PHE B 71 4.254 3.846 11.005 1.00 0.00 C ATOM 2447 O PHE B 71 4.328 5.049 11.215 1.00 0.00 O ATOM 2448 CB PHE B 71 3.984 3.277 8.588 1.00 0.00 C ATOM 2449 CG PHE B 71 4.634 2.854 7.302 1.00 0.00 C ATOM 2450 CD1 PHE B 71 5.811 3.452 6.874 1.00 0.00 C ATOM 2451 CD2 PHE B 71 4.072 1.861 6.523 1.00 0.00 C ATOM 2452 CE1 PHE B 71 6.410 3.065 5.691 1.00 0.00 C ATOM 2453 CE2 PHE B 71 4.665 1.469 5.341 1.00 0.00 C ATOM 2454 CZ PHE B 71 5.836 2.069 4.925 1.00 0.00 C ATOM 0 H PHE B 71 4.848 1.148 9.536 1.00 0.00 H new ATOM 0 HA PHE B 71 5.817 3.812 9.556 1.00 0.00 H new ATOM 0 HB2 PHE B 71 3.127 2.632 8.782 1.00 0.00 H new ATOM 0 HB3 PHE B 71 3.601 4.291 8.476 1.00 0.00 H new ATOM 0 HD1 PHE B 71 6.264 4.229 7.473 1.00 0.00 H new ATOM 0 HD2 PHE B 71 3.157 1.386 6.844 1.00 0.00 H new ATOM 0 HE1 PHE B 71 7.324 3.540 5.366 1.00 0.00 H new ATOM 0 HE2 PHE B 71 4.213 0.693 4.741 1.00 0.00 H new ATOM 0 HZ PHE B 71 6.303 1.760 4.002 1.00 0.00 H new ATOM 2464 N LYS B 72 3.611 3.018 11.811 1.00 0.00 N ATOM 2465 CA LYS B 72 3.013 3.474 13.057 1.00 0.00 C ATOM 2466 C LYS B 72 4.084 4.074 13.967 1.00 0.00 C ATOM 2467 O LYS B 72 3.809 4.961 14.782 1.00 0.00 O ATOM 2468 CB LYS B 72 2.300 2.303 13.744 1.00 0.00 C ATOM 2469 CG LYS B 72 1.798 2.593 15.146 1.00 0.00 C ATOM 2470 CD LYS B 72 0.828 1.522 15.614 1.00 0.00 C ATOM 2471 CE LYS B 72 0.516 1.670 17.090 1.00 0.00 C ATOM 2472 NZ LYS B 72 1.638 1.192 17.936 1.00 0.00 N ATOM 0 H LYS B 72 3.489 2.023 11.625 1.00 0.00 H new ATOM 0 HA LYS B 72 2.279 4.251 12.844 1.00 0.00 H new ATOM 0 HB2 LYS B 72 1.454 1.999 13.127 1.00 0.00 H new ATOM 0 HB3 LYS B 72 2.984 1.455 13.787 1.00 0.00 H new ATOM 0 HG2 LYS B 72 2.642 2.648 15.833 1.00 0.00 H new ATOM 0 HG3 LYS B 72 1.307 3.566 15.165 1.00 0.00 H new ATOM 0 HD2 LYS B 72 -0.094 1.586 15.037 1.00 0.00 H new ATOM 0 HD3 LYS B 72 1.253 0.536 15.427 1.00 0.00 H new ATOM 0 HE2 LYS B 72 0.309 2.716 17.316 1.00 0.00 H new ATOM 0 HE3 LYS B 72 -0.387 1.108 17.330 1.00 0.00 H new ATOM 0 HZ1 LYS B 72 1.404 1.339 18.939 1.00 0.00 H new ATOM 0 HZ2 LYS B 72 1.796 0.179 17.763 1.00 0.00 H new ATOM 0 HZ3 LYS B 72 2.501 1.722 17.700 1.00 0.00 H new ATOM 2486 N GLY B 73 5.312 3.598 13.811 1.00 0.00 N ATOM 2487 CA GLY B 73 6.404 4.104 14.609 1.00 0.00 C ATOM 2488 C GLY B 73 7.155 5.278 13.991 1.00 0.00 C ATOM 2489 O GLY B 73 8.147 5.727 14.564 1.00 0.00 O ATOM 0 H GLY B 73 5.569 2.870 13.145 1.00 0.00 H new ATOM 0 HA2 GLY B 73 6.015 4.410 15.580 1.00 0.00 H new ATOM 0 HA3 GLY B 73 7.110 3.293 14.790 1.00 0.00 H new ATOM 2493 N ASN B 74 6.714 5.793 12.837 1.00 0.00 N ATOM 2494 CA ASN B 74 7.430 6.911 12.207 1.00 0.00 C ATOM 2495 C ASN B 74 6.552 7.706 11.233 1.00 0.00 C ATOM 2496 O ASN B 74 5.361 7.448 11.095 1.00 0.00 O ATOM 2497 CB ASN B 74 8.693 6.403 11.486 1.00 0.00 C ATOM 2498 CG ASN B 74 8.410 5.723 10.155 1.00 0.00 C ATOM 2499 OD1 ASN B 74 8.402 6.368 9.106 1.00 0.00 O ATOM 2500 ND2 ASN B 74 8.190 4.418 10.185 1.00 0.00 N ATOM 0 H ASN B 74 5.890 5.467 12.332 1.00 0.00 H new ATOM 0 HA ASN B 74 7.715 7.592 13.009 1.00 0.00 H new ATOM 0 HB2 ASN B 74 9.367 7.243 11.318 1.00 0.00 H new ATOM 0 HB3 ASN B 74 9.215 5.702 12.138 1.00 0.00 H new ATOM 0 HD21 ASN B 74 8.006 3.912 9.319 1.00 0.00 H new ATOM 0 HD22 ASN B 74 8.205 3.919 11.074 1.00 0.00 H new ATOM 2507 N LEU B 75 7.174 8.711 10.604 1.00 0.00 N ATOM 2508 CA LEU B 75 6.567 9.539 9.548 1.00 0.00 C ATOM 2509 C LEU B 75 5.496 10.495 10.072 1.00 0.00 C ATOM 2510 O LEU B 75 5.595 11.710 9.872 1.00 0.00 O ATOM 2511 CB LEU B 75 5.986 8.690 8.411 1.00 0.00 C ATOM 2512 CG LEU B 75 5.434 9.500 7.234 1.00 0.00 C ATOM 2513 CD1 LEU B 75 6.541 10.299 6.563 1.00 0.00 C ATOM 2514 CD2 LEU B 75 4.746 8.595 6.232 1.00 0.00 C ATOM 0 H LEU B 75 8.135 8.979 10.818 1.00 0.00 H new ATOM 0 HA LEU B 75 7.387 10.141 9.157 1.00 0.00 H new ATOM 0 HB2 LEU B 75 6.762 8.019 8.042 1.00 0.00 H new ATOM 0 HB3 LEU B 75 5.188 8.065 8.812 1.00 0.00 H new ATOM 0 HG LEU B 75 4.695 10.200 7.623 1.00 0.00 H new ATOM 0 HD11 LEU B 75 6.126 10.867 5.730 1.00 0.00 H new ATOM 0 HD12 LEU B 75 6.983 10.985 7.285 1.00 0.00 H new ATOM 0 HD13 LEU B 75 7.308 9.618 6.192 1.00 0.00 H new ATOM 0 HD21 LEU B 75 4.362 9.193 5.405 1.00 0.00 H new ATOM 0 HD22 LEU B 75 5.460 7.865 5.851 1.00 0.00 H new ATOM 0 HD23 LEU B 75 3.920 8.075 6.718 1.00 0.00 H new ATOM 2526 N GLU B 76 4.468 9.957 10.714 1.00 0.00 N ATOM 2527 CA GLU B 76 3.365 10.773 11.198 1.00 0.00 C ATOM 2528 C GLU B 76 3.871 11.797 12.208 1.00 0.00 C ATOM 2529 O GLU B 76 4.863 11.564 12.899 1.00 0.00 O ATOM 2530 CB GLU B 76 2.247 9.891 11.779 1.00 0.00 C ATOM 2531 CG GLU B 76 2.657 9.019 12.958 1.00 0.00 C ATOM 2532 CD GLU B 76 2.588 9.754 14.279 1.00 0.00 C ATOM 2533 OE1 GLU B 76 1.475 10.156 14.679 1.00 0.00 O ATOM 2534 OE2 GLU B 76 3.633 9.920 14.934 1.00 0.00 O ATOM 0 H GLU B 76 4.376 8.960 10.911 1.00 0.00 H new ATOM 0 HA GLU B 76 2.935 11.321 10.360 1.00 0.00 H new ATOM 0 HB2 GLU B 76 1.424 10.534 12.092 1.00 0.00 H new ATOM 0 HB3 GLU B 76 1.865 9.247 10.987 1.00 0.00 H new ATOM 0 HG2 GLU B 76 2.009 8.143 13.000 1.00 0.00 H new ATOM 0 HG3 GLU B 76 3.673 8.657 12.801 1.00 0.00 H new