USER MOD reduce.3.24.130724 H: found=0, std=0, add=803, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 805 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 92 TYR OH : rot 165:sc= -0.243 USER MOD Set 1.2: A 100 SER OG : rot 130:sc= 0 USER MOD Set 2.1: A 55 SER OG : rot -59:sc= -0.643 USER MOD Set 2.2: A 64 HIS : no HD1:sc= -1.85 K(o=-2.5,f=-8.1!) USER MOD Set 3.1: A 35 HIS : no HE2:sc= -5.58! C(o=-6.3!,f=-11!) USER MOD Set 3.2: A 39 THR OG1 : rot -120:sc= -0.691 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -11:sc= 0.911 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -1.64 K(o=-1.6,f=-5.3!) USER MOD Single : A 23 MET CE :methyl 154:sc= -3.25! (180deg=-5.37!) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.0064) USER MOD Single : A 28 THR OG1 : rot 180:sc= -1.05 USER MOD Single : A 30 ASN : amide:sc= -0.342 K(o=-0.34,f=-1.7) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 134:sc= 0.737 USER MOD Single : A 57 LYS NZ :NH3+ -179:sc= 0.145 (180deg=0.134) USER MOD Single : A 59 ASN : amide:sc= -0.704 K(o=-0.7,f=-2.1) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= 1.1 K(o=1.1,f=-0.16) USER MOD Single : A 75 HIS : no HE2:sc= -3.21! C(o=-3.2!,f=-4!) USER MOD Single : A 77 THR OG1 : rot -56:sc= 0.00223 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 40:sc= 1.29 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -1.07 K(o=-1.1,f=-2.2!) USER MOD Single : A 94 CYS SG : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HE2:sc= -3.76! C(o=-3.8!,f=-9.5!) USER MOD Single : A 96 SER OG : rot 180:sc= -0.166 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= -0.101 X(o=-0.1,f=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= -0.114 USER MOD Single : A 107 THR OG1 : rot 44:sc= 0.0247 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 46:sc= 0.403 USER MOD ----------------------------------------------------------------- ATOM 116 N ILE A 11 1.836 -10.832 -8.826 1.00 0.00 N ATOM 117 CA ILE A 11 2.001 -9.439 -9.224 1.00 0.00 C ATOM 118 C ILE A 11 3.304 -8.863 -8.683 1.00 0.00 C ATOM 119 O ILE A 11 3.581 -8.943 -7.486 1.00 0.00 O ATOM 120 CB ILE A 11 0.826 -8.571 -8.735 1.00 0.00 C ATOM 121 CG1 ILE A 11 -0.488 -9.062 -9.345 1.00 0.00 C ATOM 122 CG2 ILE A 11 1.067 -7.110 -9.085 1.00 0.00 C ATOM 123 CD1 ILE A 11 -1.715 -8.435 -8.721 1.00 0.00 C ATOM 0 HA ILE A 11 2.025 -9.423 -10.314 1.00 0.00 H new ATOM 0 HB ILE A 11 0.755 -8.658 -7.651 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.485 -8.849 -10.414 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.548 -10.145 -9.236 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.229 -6.509 -8.733 1.00 0.00 H new ATOM 0 HG22 ILE A 11 1.985 -6.768 -8.607 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.160 -7.005 -10.166 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.610 -8.829 -9.202 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.742 -8.669 -7.657 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.678 -7.354 -8.853 1.00 0.00 H new ATOM 135 N ASP A 12 4.102 -8.281 -9.571 1.00 0.00 N ATOM 136 CA ASP A 12 5.376 -7.688 -9.183 1.00 0.00 C ATOM 137 C ASP A 12 5.179 -6.266 -8.668 1.00 0.00 C ATOM 138 O ASP A 12 5.196 -5.307 -9.441 1.00 0.00 O ATOM 139 CB ASP A 12 6.344 -7.686 -10.368 1.00 0.00 C ATOM 140 CG ASP A 12 7.746 -7.266 -9.969 1.00 0.00 C ATOM 141 OD1 ASP A 12 7.875 -6.323 -9.162 1.00 0.00 O ATOM 142 OD2 ASP A 12 8.713 -7.882 -10.464 1.00 0.00 O ATOM 0 H ASP A 12 3.889 -8.207 -10.566 1.00 0.00 H new ATOM 0 HA ASP A 12 5.800 -8.290 -8.379 1.00 0.00 H new ATOM 0 HB2 ASP A 12 6.378 -8.683 -10.808 1.00 0.00 H new ATOM 0 HB3 ASP A 12 5.970 -7.010 -11.138 1.00 0.00 H new ATOM 147 N TYR A 13 4.990 -6.137 -7.359 1.00 0.00 N ATOM 148 CA TYR A 13 4.786 -4.832 -6.741 1.00 0.00 C ATOM 149 C TYR A 13 6.070 -4.010 -6.768 1.00 0.00 C ATOM 150 O TYR A 13 6.040 -2.791 -6.950 1.00 0.00 O ATOM 151 CB TYR A 13 4.303 -4.997 -5.299 1.00 0.00 C ATOM 152 CG TYR A 13 3.274 -6.091 -5.128 1.00 0.00 C ATOM 153 CD1 TYR A 13 2.118 -6.112 -5.897 1.00 0.00 C ATOM 154 CD2 TYR A 13 3.457 -7.104 -4.194 1.00 0.00 C ATOM 155 CE1 TYR A 13 1.174 -7.109 -5.743 1.00 0.00 C ATOM 156 CE2 TYR A 13 2.520 -8.106 -4.033 1.00 0.00 C ATOM 157 CZ TYR A 13 1.380 -8.104 -4.810 1.00 0.00 C ATOM 158 OH TYR A 13 0.443 -9.100 -4.653 1.00 0.00 O ATOM 0 H TYR A 13 4.974 -6.920 -6.706 1.00 0.00 H new ATOM 0 HA TYR A 13 4.025 -4.302 -7.314 1.00 0.00 H new ATOM 0 HB2 TYR A 13 5.159 -5.212 -4.660 1.00 0.00 H new ATOM 0 HB3 TYR A 13 3.878 -4.053 -4.956 1.00 0.00 H new ATOM 0 HD1 TYR A 13 1.954 -5.335 -6.629 1.00 0.00 H new ATOM 0 HD2 TYR A 13 4.348 -7.108 -3.583 1.00 0.00 H new ATOM 0 HE1 TYR A 13 0.280 -7.109 -6.349 1.00 0.00 H new ATOM 0 HE2 TYR A 13 2.679 -8.886 -3.303 1.00 0.00 H new ATOM 0 HH TYR A 13 0.740 -9.722 -3.957 1.00 0.00 H new ATOM 168 N THR A 14 7.202 -4.684 -6.586 1.00 0.00 N ATOM 169 CA THR A 14 8.498 -4.017 -6.589 1.00 0.00 C ATOM 170 C THR A 14 8.828 -3.462 -7.970 1.00 0.00 C ATOM 171 O THR A 14 9.851 -2.806 -8.156 1.00 0.00 O ATOM 172 CB THR A 14 9.623 -4.975 -6.151 1.00 0.00 C ATOM 173 OG1 THR A 14 9.742 -6.052 -7.086 1.00 0.00 O ATOM 174 CG2 THR A 14 9.349 -5.532 -4.762 1.00 0.00 C ATOM 0 H THR A 14 7.247 -5.692 -6.435 1.00 0.00 H new ATOM 0 HA THR A 14 8.432 -3.195 -5.877 1.00 0.00 H new ATOM 0 HB THR A 14 10.557 -4.414 -6.123 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.979 -6.038 -7.700 1.00 0.00 H new ATOM 0 HG21 THR A 14 10.156 -6.205 -4.474 1.00 0.00 H new ATOM 0 HG22 THR A 14 9.288 -4.712 -4.047 1.00 0.00 H new ATOM 0 HG23 THR A 14 8.406 -6.078 -4.769 1.00 0.00 H new ATOM 182 N ALA A 15 7.954 -3.731 -8.934 1.00 0.00 N ATOM 183 CA ALA A 15 8.152 -3.256 -10.299 1.00 0.00 C ATOM 184 C ALA A 15 7.586 -1.850 -10.477 1.00 0.00 C ATOM 185 O ALA A 15 7.981 -1.124 -11.390 1.00 0.00 O ATOM 186 CB ALA A 15 7.511 -4.215 -11.290 1.00 0.00 C ATOM 0 H ALA A 15 7.102 -4.275 -8.796 1.00 0.00 H new ATOM 0 HA ALA A 15 9.224 -3.216 -10.492 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.667 -3.848 -12.304 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.964 -5.201 -11.187 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.442 -4.285 -11.089 1.00 0.00 H new ATOM 192 N TYR A 16 6.661 -1.474 -9.601 1.00 0.00 N ATOM 193 CA TYR A 16 6.039 -0.157 -9.665 1.00 0.00 C ATOM 194 C TYR A 16 6.864 0.873 -8.899 1.00 0.00 C ATOM 195 O TYR A 16 7.551 0.557 -7.926 1.00 0.00 O ATOM 196 CB TYR A 16 4.620 -0.213 -9.100 1.00 0.00 C ATOM 197 CG TYR A 16 3.659 -1.009 -9.953 1.00 0.00 C ATOM 198 CD1 TYR A 16 3.092 -0.459 -11.097 1.00 0.00 C ATOM 199 CD2 TYR A 16 3.317 -2.314 -9.616 1.00 0.00 C ATOM 200 CE1 TYR A 16 2.214 -1.183 -11.878 1.00 0.00 C ATOM 201 CE2 TYR A 16 2.441 -3.046 -10.393 1.00 0.00 C ATOM 202 CZ TYR A 16 1.892 -2.476 -11.523 1.00 0.00 C ATOM 203 OH TYR A 16 1.017 -3.202 -12.299 1.00 0.00 O ATOM 0 H TYR A 16 6.325 -2.062 -8.838 1.00 0.00 H new ATOM 0 HA TYR A 16 5.995 0.146 -10.711 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.653 -0.649 -8.101 1.00 0.00 H new ATOM 0 HB3 TYR A 16 4.241 0.803 -8.992 1.00 0.00 H new ATOM 0 HD1 TYR A 16 3.343 0.553 -11.380 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.744 -2.763 -8.731 1.00 0.00 H new ATOM 0 HE1 TYR A 16 1.781 -0.739 -12.762 1.00 0.00 H new ATOM 0 HE2 TYR A 16 2.187 -4.059 -10.118 1.00 0.00 H new ATOM 0 HH TYR A 16 0.898 -4.094 -11.911 1.00 0.00 H new ATOM 213 N PRO A 17 6.796 2.135 -9.345 1.00 0.00 N ATOM 214 CA PRO A 17 7.528 3.239 -8.716 1.00 0.00 C ATOM 215 C PRO A 17 6.974 3.591 -7.340 1.00 0.00 C ATOM 216 O PRO A 17 7.706 4.060 -6.468 1.00 0.00 O ATOM 217 CB PRO A 17 7.323 4.401 -9.690 1.00 0.00 C ATOM 218 CG PRO A 17 6.051 4.083 -10.397 1.00 0.00 C ATOM 219 CD PRO A 17 5.998 2.584 -10.498 1.00 0.00 C ATOM 0 HA PRO A 17 8.575 2.989 -8.545 1.00 0.00 H new ATOM 0 HB2 PRO A 17 7.255 5.352 -9.162 1.00 0.00 H new ATOM 0 HB3 PRO A 17 8.155 4.483 -10.389 1.00 0.00 H new ATOM 0 HG2 PRO A 17 5.192 4.468 -9.847 1.00 0.00 H new ATOM 0 HG3 PRO A 17 6.028 4.542 -11.385 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.974 2.214 -10.446 1.00 0.00 H new ATOM 0 HD3 PRO A 17 6.418 2.230 -11.439 1.00 0.00 H new ATOM 227 N TRP A 18 5.679 3.365 -7.153 1.00 0.00 N ATOM 228 CA TRP A 18 5.028 3.659 -5.882 1.00 0.00 C ATOM 229 C TRP A 18 5.311 2.565 -4.859 1.00 0.00 C ATOM 230 O TRP A 18 4.681 2.511 -3.801 1.00 0.00 O ATOM 231 CB TRP A 18 3.518 3.809 -6.082 1.00 0.00 C ATOM 232 CG TRP A 18 2.936 2.780 -7.001 1.00 0.00 C ATOM 233 CD1 TRP A 18 2.517 2.971 -8.287 1.00 0.00 C ATOM 234 CD2 TRP A 18 2.704 1.398 -6.704 1.00 0.00 C ATOM 235 NE1 TRP A 18 2.041 1.793 -8.808 1.00 0.00 N ATOM 236 CE2 TRP A 18 2.145 0.812 -7.857 1.00 0.00 C ATOM 237 CE3 TRP A 18 2.917 0.598 -5.579 1.00 0.00 C ATOM 238 CZ2 TRP A 18 1.797 -0.535 -7.912 1.00 0.00 C ATOM 239 CZ3 TRP A 18 2.570 -0.738 -5.635 1.00 0.00 C ATOM 240 CH2 TRP A 18 2.015 -1.294 -6.795 1.00 0.00 C ATOM 0 H TRP A 18 5.059 2.979 -7.865 1.00 0.00 H new ATOM 0 HA TRP A 18 5.433 4.598 -5.503 1.00 0.00 H new ATOM 0 HB2 TRP A 18 3.022 3.743 -5.114 1.00 0.00 H new ATOM 0 HB3 TRP A 18 3.308 4.802 -6.480 1.00 0.00 H new ATOM 0 HD1 TRP A 18 2.555 3.911 -8.817 1.00 0.00 H new ATOM 0 HE1 TRP A 18 1.670 1.668 -9.750 1.00 0.00 H new ATOM 0 HE3 TRP A 18 3.346 1.017 -4.681 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 1.370 -0.966 -8.806 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 2.729 -1.365 -4.770 1.00 0.00 H new ATOM 0 HH2 TRP A 18 1.754 -2.342 -6.808 1.00 0.00 H new ATOM 251 N PHE A 19 6.262 1.693 -5.178 1.00 0.00 N ATOM 252 CA PHE A 19 6.628 0.599 -4.286 1.00 0.00 C ATOM 253 C PHE A 19 7.620 1.071 -3.227 1.00 0.00 C ATOM 254 O PHE A 19 8.589 1.763 -3.534 1.00 0.00 O ATOM 255 CB PHE A 19 7.229 -0.559 -5.086 1.00 0.00 C ATOM 256 CG PHE A 19 8.069 -1.487 -4.255 1.00 0.00 C ATOM 257 CD1 PHE A 19 7.479 -2.491 -3.505 1.00 0.00 C ATOM 258 CD2 PHE A 19 9.447 -1.355 -4.226 1.00 0.00 C ATOM 259 CE1 PHE A 19 8.249 -3.346 -2.739 1.00 0.00 C ATOM 260 CE2 PHE A 19 10.224 -2.209 -3.463 1.00 0.00 C ATOM 261 CZ PHE A 19 9.623 -3.205 -2.720 1.00 0.00 C ATOM 0 H PHE A 19 6.793 1.723 -6.048 1.00 0.00 H new ATOM 0 HA PHE A 19 5.725 0.253 -3.784 1.00 0.00 H new ATOM 0 HB2 PHE A 19 6.423 -1.128 -5.549 1.00 0.00 H new ATOM 0 HB3 PHE A 19 7.839 -0.155 -5.894 1.00 0.00 H new ATOM 0 HD1 PHE A 19 6.405 -2.607 -3.519 1.00 0.00 H new ATOM 0 HD2 PHE A 19 9.921 -0.577 -4.806 1.00 0.00 H new ATOM 0 HE1 PHE A 19 7.777 -4.123 -2.156 1.00 0.00 H new ATOM 0 HE2 PHE A 19 11.298 -2.096 -3.449 1.00 0.00 H new ATOM 0 HZ PHE A 19 10.227 -3.874 -2.124 1.00 0.00 H new ATOM 271 N ALA A 20 7.369 0.690 -1.979 1.00 0.00 N ATOM 272 CA ALA A 20 8.239 1.071 -0.874 1.00 0.00 C ATOM 273 C ALA A 20 8.709 -0.154 -0.097 1.00 0.00 C ATOM 274 O ALA A 20 9.666 -0.083 0.673 1.00 0.00 O ATOM 275 CB ALA A 20 7.522 2.042 0.052 1.00 0.00 C ATOM 0 H ALA A 20 6.570 0.117 -1.708 1.00 0.00 H new ATOM 0 HA ALA A 20 9.118 1.564 -1.290 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.184 2.318 0.873 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.242 2.936 -0.505 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.626 1.568 0.452 1.00 0.00 H new ATOM 281 N GLY A 21 8.030 -1.278 -0.305 1.00 0.00 N ATOM 282 CA GLY A 21 8.392 -2.502 0.384 1.00 0.00 C ATOM 283 C GLY A 21 8.903 -2.248 1.788 1.00 0.00 C ATOM 284 O GLY A 21 8.356 -1.420 2.515 1.00 0.00 O ATOM 0 H GLY A 21 7.235 -1.362 -0.939 1.00 0.00 H new ATOM 0 HA2 GLY A 21 7.524 -3.160 0.430 1.00 0.00 H new ATOM 0 HA3 GLY A 21 9.158 -3.025 -0.189 1.00 0.00 H new ATOM 288 N ASN A 22 9.956 -2.964 2.171 1.00 0.00 N ATOM 289 CA ASN A 22 10.539 -2.812 3.500 1.00 0.00 C ATOM 290 C ASN A 22 11.055 -1.392 3.709 1.00 0.00 C ATOM 291 O ASN A 22 12.258 -1.142 3.645 1.00 0.00 O ATOM 292 CB ASN A 22 11.679 -3.815 3.695 1.00 0.00 C ATOM 293 CG ASN A 22 12.803 -3.614 2.697 1.00 0.00 C ATOM 294 OD1 ASN A 22 12.716 -2.766 1.810 1.00 0.00 O ATOM 295 ND2 ASN A 22 13.865 -4.399 2.837 1.00 0.00 N ATOM 0 H ASN A 22 10.422 -3.654 1.581 1.00 0.00 H new ATOM 0 HA ASN A 22 9.760 -3.008 4.237 1.00 0.00 H new ATOM 0 HB2 ASN A 22 12.074 -3.720 4.707 1.00 0.00 H new ATOM 0 HB3 ASN A 22 11.288 -4.828 3.599 1.00 0.00 H new ATOM 0 HD21 ASN A 22 14.652 -4.312 2.194 1.00 0.00 H new ATOM 0 HD22 ASN A 22 13.894 -5.089 3.588 1.00 0.00 H new ATOM 302 N MET A 23 10.136 -0.466 3.960 1.00 0.00 N ATOM 303 CA MET A 23 10.498 0.930 4.181 1.00 0.00 C ATOM 304 C MET A 23 10.515 1.257 5.670 1.00 0.00 C ATOM 305 O MET A 23 9.786 0.654 6.456 1.00 0.00 O ATOM 306 CB MET A 23 9.518 1.854 3.456 1.00 0.00 C ATOM 307 CG MET A 23 9.918 3.319 3.501 1.00 0.00 C ATOM 308 SD MET A 23 10.932 3.807 2.093 1.00 0.00 S ATOM 309 CE MET A 23 9.868 5.020 1.314 1.00 0.00 C ATOM 0 H MET A 23 9.135 -0.656 4.016 1.00 0.00 H new ATOM 0 HA MET A 23 11.499 1.088 3.780 1.00 0.00 H new ATOM 0 HB2 MET A 23 9.437 1.540 2.415 1.00 0.00 H new ATOM 0 HB3 MET A 23 8.529 1.742 3.901 1.00 0.00 H new ATOM 0 HG2 MET A 23 9.020 3.936 3.528 1.00 0.00 H new ATOM 0 HG3 MET A 23 10.466 3.514 4.423 1.00 0.00 H new ATOM 0 HE1 MET A 23 10.475 5.726 0.747 1.00 0.00 H new ATOM 0 HE2 MET A 23 9.174 4.516 0.642 1.00 0.00 H new ATOM 0 HE3 MET A 23 9.307 5.557 2.079 1.00 0.00 H new ATOM 319 N GLU A 24 11.355 2.216 6.052 1.00 0.00 N ATOM 320 CA GLU A 24 11.467 2.622 7.447 1.00 0.00 C ATOM 321 C GLU A 24 10.331 3.565 7.833 1.00 0.00 C ATOM 322 O GLU A 24 10.080 4.561 7.153 1.00 0.00 O ATOM 323 CB GLU A 24 12.815 3.299 7.697 1.00 0.00 C ATOM 324 CG GLU A 24 13.918 2.332 8.095 1.00 0.00 C ATOM 325 CD GLU A 24 15.130 3.036 8.673 1.00 0.00 C ATOM 326 OE1 GLU A 24 15.415 4.176 8.248 1.00 0.00 O ATOM 327 OE2 GLU A 24 15.795 2.447 9.551 1.00 0.00 O ATOM 0 H GLU A 24 11.967 2.725 5.414 1.00 0.00 H new ATOM 0 HA GLU A 24 11.398 1.727 8.066 1.00 0.00 H new ATOM 0 HB2 GLU A 24 13.118 3.831 6.795 1.00 0.00 H new ATOM 0 HB3 GLU A 24 12.697 4.045 8.483 1.00 0.00 H new ATOM 0 HG2 GLU A 24 13.529 1.625 8.828 1.00 0.00 H new ATOM 0 HG3 GLU A 24 14.221 1.753 7.223 1.00 0.00 H new ATOM 334 N ARG A 25 9.649 3.245 8.928 1.00 0.00 N ATOM 335 CA ARG A 25 8.539 4.064 9.402 1.00 0.00 C ATOM 336 C ARG A 25 8.943 5.533 9.482 1.00 0.00 C ATOM 337 O ARG A 25 8.092 6.421 9.458 1.00 0.00 O ATOM 338 CB ARG A 25 8.071 3.576 10.774 1.00 0.00 C ATOM 339 CG ARG A 25 6.675 4.051 11.145 1.00 0.00 C ATOM 340 CD ARG A 25 6.338 3.718 12.590 1.00 0.00 C ATOM 341 NE ARG A 25 4.900 3.754 12.840 1.00 0.00 N ATOM 342 CZ ARG A 25 4.344 3.404 13.994 1.00 0.00 C ATOM 343 NH1 ARG A 25 5.104 2.994 15.001 1.00 0.00 N ATOM 344 NH2 ARG A 25 3.028 3.465 14.145 1.00 0.00 N ATOM 0 H ARG A 25 9.845 2.426 9.503 1.00 0.00 H new ATOM 0 HA ARG A 25 7.719 3.970 8.690 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.091 2.486 10.789 1.00 0.00 H new ATOM 0 HB3 ARG A 25 8.776 3.918 11.532 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.604 5.128 10.993 1.00 0.00 H new ATOM 0 HG3 ARG A 25 5.944 3.586 10.484 1.00 0.00 H new ATOM 0 HD2 ARG A 25 6.723 2.728 12.833 1.00 0.00 H new ATOM 0 HD3 ARG A 25 6.838 4.426 13.251 1.00 0.00 H new ATOM 0 HE ARG A 25 4.288 4.066 12.086 1.00 0.00 H new ATOM 0 HH11 ARG A 25 6.117 2.947 14.889 1.00 0.00 H new ATOM 0 HH12 ARG A 25 4.676 2.725 15.887 1.00 0.00 H new ATOM 0 HH21 ARG A 25 2.440 3.781 13.374 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.603 3.196 15.032 1.00 0.00 H new ATOM 358 N GLN A 26 10.245 5.780 9.579 1.00 0.00 N ATOM 359 CA GLN A 26 10.760 7.141 9.666 1.00 0.00 C ATOM 360 C GLN A 26 10.949 7.740 8.275 1.00 0.00 C ATOM 361 O GLN A 26 10.636 8.907 8.045 1.00 0.00 O ATOM 362 CB GLN A 26 12.087 7.160 10.426 1.00 0.00 C ATOM 363 CG GLN A 26 12.831 8.481 10.319 1.00 0.00 C ATOM 364 CD GLN A 26 14.052 8.537 11.215 1.00 0.00 C ATOM 365 OE1 GLN A 26 14.115 7.862 12.242 1.00 0.00 O ATOM 366 NE2 GLN A 26 15.033 9.346 10.830 1.00 0.00 N ATOM 0 H GLN A 26 10.963 5.055 9.599 1.00 0.00 H new ATOM 0 HA GLN A 26 10.031 7.745 10.207 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.897 6.944 11.477 1.00 0.00 H new ATOM 0 HB3 GLN A 26 12.725 6.362 10.047 1.00 0.00 H new ATOM 0 HG2 GLN A 26 13.137 8.639 9.285 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.156 9.296 10.580 1.00 0.00 H new ATOM 0 HE21 GLN A 26 14.940 9.888 9.971 1.00 0.00 H new ATOM 0 HE22 GLN A 26 15.880 9.425 11.393 1.00 0.00 H new ATOM 375 N GLN A 27 11.463 6.932 7.354 1.00 0.00 N ATOM 376 CA GLN A 27 11.694 7.384 5.987 1.00 0.00 C ATOM 377 C GLN A 27 10.383 7.780 5.316 1.00 0.00 C ATOM 378 O GLN A 27 10.287 8.839 4.693 1.00 0.00 O ATOM 379 CB GLN A 27 12.385 6.286 5.174 1.00 0.00 C ATOM 380 CG GLN A 27 13.902 6.376 5.199 1.00 0.00 C ATOM 381 CD GLN A 27 14.563 5.302 4.358 1.00 0.00 C ATOM 382 OE1 GLN A 27 15.058 4.303 4.882 1.00 0.00 O ATOM 383 NE2 GLN A 27 14.575 5.501 3.045 1.00 0.00 N ATOM 0 H GLN A 27 11.727 5.962 7.529 1.00 0.00 H new ATOM 0 HA GLN A 27 12.341 8.260 6.025 1.00 0.00 H new ATOM 0 HB2 GLN A 27 12.080 5.313 5.560 1.00 0.00 H new ATOM 0 HB3 GLN A 27 12.043 6.340 4.141 1.00 0.00 H new ATOM 0 HG2 GLN A 27 14.210 7.357 4.837 1.00 0.00 H new ATOM 0 HG3 GLN A 27 14.250 6.292 6.228 1.00 0.00 H new ATOM 0 HE21 GLN A 27 14.153 6.343 2.653 1.00 0.00 H new ATOM 0 HE22 GLN A 27 15.006 4.812 2.429 1.00 0.00 H new ATOM 392 N THR A 28 9.374 6.925 5.446 1.00 0.00 N ATOM 393 CA THR A 28 8.070 7.185 4.851 1.00 0.00 C ATOM 394 C THR A 28 7.543 8.555 5.260 1.00 0.00 C ATOM 395 O THR A 28 7.175 9.369 4.411 1.00 0.00 O ATOM 396 CB THR A 28 7.043 6.111 5.256 1.00 0.00 C ATOM 397 OG1 THR A 28 7.553 4.807 4.955 1.00 0.00 O ATOM 398 CG2 THR A 28 5.722 6.324 4.531 1.00 0.00 C ATOM 0 H THR A 28 9.435 6.045 5.959 1.00 0.00 H new ATOM 0 HA THR A 28 8.205 7.158 3.770 1.00 0.00 H new ATOM 0 HB THR A 28 6.868 6.194 6.329 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.895 4.130 5.217 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.013 5.553 4.833 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.322 7.305 4.785 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.884 6.266 3.455 1.00 0.00 H new ATOM 406 N ASP A 29 7.508 8.806 6.564 1.00 0.00 N ATOM 407 CA ASP A 29 7.027 10.079 7.085 1.00 0.00 C ATOM 408 C ASP A 29 8.054 11.184 6.856 1.00 0.00 C ATOM 409 O ASP A 29 7.701 12.351 6.694 1.00 0.00 O ATOM 410 CB ASP A 29 6.715 9.959 8.578 1.00 0.00 C ATOM 411 CG ASP A 29 5.604 10.893 9.014 1.00 0.00 C ATOM 412 OD1 ASP A 29 5.767 12.121 8.860 1.00 0.00 O ATOM 413 OD2 ASP A 29 4.571 10.396 9.513 1.00 0.00 O ATOM 0 H ASP A 29 7.807 8.144 7.280 1.00 0.00 H new ATOM 0 HA ASP A 29 6.114 10.339 6.550 1.00 0.00 H new ATOM 0 HB2 ASP A 29 6.432 8.931 8.806 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.615 10.176 9.153 1.00 0.00 H new ATOM 418 N ASN A 30 9.329 10.806 6.844 1.00 0.00 N ATOM 419 CA ASN A 30 10.408 11.765 6.636 1.00 0.00 C ATOM 420 C ASN A 30 10.398 12.293 5.204 1.00 0.00 C ATOM 421 O ASN A 30 10.749 13.447 4.954 1.00 0.00 O ATOM 422 CB ASN A 30 11.760 11.117 6.942 1.00 0.00 C ATOM 423 CG ASN A 30 12.919 12.073 6.738 1.00 0.00 C ATOM 424 OD1 ASN A 30 12.733 13.290 6.689 1.00 0.00 O ATOM 425 ND2 ASN A 30 14.122 11.526 6.617 1.00 0.00 N ATOM 0 H ASN A 30 9.640 9.843 6.976 1.00 0.00 H new ATOM 0 HA ASN A 30 10.252 12.603 7.315 1.00 0.00 H new ATOM 0 HB2 ASN A 30 11.764 10.760 7.972 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.895 10.245 6.302 1.00 0.00 H new ATOM 0 HD21 ASN A 30 14.940 12.119 6.477 1.00 0.00 H new ATOM 0 HD22 ASN A 30 14.229 10.513 6.664 1.00 0.00 H new ATOM 432 N LEU A 31 9.992 11.442 4.268 1.00 0.00 N ATOM 433 CA LEU A 31 9.935 11.822 2.862 1.00 0.00 C ATOM 434 C LEU A 31 8.548 12.338 2.492 1.00 0.00 C ATOM 435 O LEU A 31 8.412 13.333 1.780 1.00 0.00 O ATOM 436 CB LEU A 31 10.302 10.631 1.976 1.00 0.00 C ATOM 437 CG LEU A 31 9.320 9.459 1.987 1.00 0.00 C ATOM 438 CD1 LEU A 31 8.266 9.633 0.905 1.00 0.00 C ATOM 439 CD2 LEU A 31 10.061 8.142 1.806 1.00 0.00 C ATOM 0 H LEU A 31 9.697 10.484 4.458 1.00 0.00 H new ATOM 0 HA LEU A 31 10.655 12.624 2.699 1.00 0.00 H new ATOM 0 HB2 LEU A 31 10.403 10.985 0.950 1.00 0.00 H new ATOM 0 HB3 LEU A 31 11.280 10.262 2.284 1.00 0.00 H new ATOM 0 HG LEU A 31 8.817 9.441 2.954 1.00 0.00 H new ATOM 0 HD11 LEU A 31 7.577 8.789 0.929 1.00 0.00 H new ATOM 0 HD12 LEU A 31 7.714 10.557 1.080 1.00 0.00 H new ATOM 0 HD13 LEU A 31 8.750 9.678 -0.071 1.00 0.00 H new ATOM 0 HD21 LEU A 31 9.347 7.318 1.816 1.00 0.00 H new ATOM 0 HD22 LEU A 31 10.591 8.151 0.854 1.00 0.00 H new ATOM 0 HD23 LEU A 31 10.776 8.012 2.618 1.00 0.00 H new ATOM 451 N LEU A 32 7.519 11.654 2.983 1.00 0.00 N ATOM 452 CA LEU A 32 6.141 12.044 2.708 1.00 0.00 C ATOM 453 C LEU A 32 5.847 13.436 3.258 1.00 0.00 C ATOM 454 O LEU A 32 5.318 14.295 2.553 1.00 0.00 O ATOM 455 CB LEU A 32 5.172 11.028 3.316 1.00 0.00 C ATOM 456 CG LEU A 32 5.021 9.707 2.559 1.00 0.00 C ATOM 457 CD1 LEU A 32 3.961 8.835 3.213 1.00 0.00 C ATOM 458 CD2 LEU A 32 4.677 9.966 1.099 1.00 0.00 C ATOM 0 H LEU A 32 7.614 10.827 3.573 1.00 0.00 H new ATOM 0 HA LEU A 32 6.005 12.066 1.627 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.500 10.806 4.332 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.190 11.494 3.393 1.00 0.00 H new ATOM 0 HG LEU A 32 5.972 9.176 2.599 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.868 7.900 2.661 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.250 8.621 4.242 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.005 9.358 3.206 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.573 9.016 0.575 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.739 10.518 1.039 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.472 10.550 0.636 1.00 0.00 H new ATOM 470 N LYS A 33 6.197 13.652 4.521 1.00 0.00 N ATOM 471 CA LYS A 33 5.975 14.941 5.167 1.00 0.00 C ATOM 472 C LYS A 33 6.322 16.089 4.224 1.00 0.00 C ATOM 473 O LYS A 33 5.609 17.090 4.161 1.00 0.00 O ATOM 474 CB LYS A 33 6.811 15.045 6.445 1.00 0.00 C ATOM 475 CG LYS A 33 8.309 15.053 6.192 1.00 0.00 C ATOM 476 CD LYS A 33 9.093 15.014 7.493 1.00 0.00 C ATOM 477 CE LYS A 33 9.014 16.340 8.233 1.00 0.00 C ATOM 478 NZ LYS A 33 9.906 16.365 9.425 1.00 0.00 N ATOM 0 H LYS A 33 6.636 12.951 5.118 1.00 0.00 H new ATOM 0 HA LYS A 33 4.918 15.013 5.425 1.00 0.00 H new ATOM 0 HB2 LYS A 33 6.536 15.956 6.976 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.566 14.208 7.099 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.580 14.195 5.577 1.00 0.00 H new ATOM 0 HG3 LYS A 33 8.579 15.947 5.630 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.705 14.218 8.129 1.00 0.00 H new ATOM 0 HD3 LYS A 33 10.136 14.775 7.283 1.00 0.00 H new ATOM 0 HE2 LYS A 33 9.289 17.150 7.557 1.00 0.00 H new ATOM 0 HE3 LYS A 33 7.985 16.521 8.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 9.823 17.286 9.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 9.628 15.609 10.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 10.891 16.218 9.125 1.00 0.00 H new ATOM 492 N SER A 34 7.422 15.936 3.494 1.00 0.00 N ATOM 493 CA SER A 34 7.865 16.961 2.555 1.00 0.00 C ATOM 494 C SER A 34 6.996 16.962 1.301 1.00 0.00 C ATOM 495 O SER A 34 6.630 18.019 0.785 1.00 0.00 O ATOM 496 CB SER A 34 9.329 16.735 2.175 1.00 0.00 C ATOM 497 OG SER A 34 9.742 17.647 1.171 1.00 0.00 O ATOM 0 H SER A 34 8.023 15.113 3.534 1.00 0.00 H new ATOM 0 HA SER A 34 7.769 17.931 3.042 1.00 0.00 H new ATOM 0 HB2 SER A 34 9.959 16.850 3.057 1.00 0.00 H new ATOM 0 HB3 SER A 34 9.462 15.713 1.820 1.00 0.00 H new ATOM 0 HG SER A 34 10.682 17.483 0.947 1.00 0.00 H new ATOM 503 N HIS A 35 6.669 15.768 0.815 1.00 0.00 N ATOM 504 CA HIS A 35 5.842 15.630 -0.379 1.00 0.00 C ATOM 505 C HIS A 35 4.532 16.397 -0.224 1.00 0.00 C ATOM 506 O HIS A 35 4.286 17.023 0.806 1.00 0.00 O ATOM 507 CB HIS A 35 5.553 14.155 -0.657 1.00 0.00 C ATOM 508 CG HIS A 35 6.570 13.501 -1.538 1.00 0.00 C ATOM 509 ND1 HIS A 35 7.096 14.107 -2.660 1.00 0.00 N ATOM 510 CD2 HIS A 35 7.163 12.286 -1.457 1.00 0.00 C ATOM 511 CE1 HIS A 35 7.964 13.293 -3.232 1.00 0.00 C ATOM 512 NE2 HIS A 35 8.024 12.181 -2.522 1.00 0.00 N ATOM 0 H HIS A 35 6.964 14.884 1.229 1.00 0.00 H new ATOM 0 HA HIS A 35 6.391 16.050 -1.222 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.506 13.618 0.290 1.00 0.00 H new ATOM 0 HB3 HIS A 35 4.571 14.067 -1.122 1.00 0.00 H new ATOM 0 HD1 HIS A 35 6.852 15.039 -2.996 1.00 0.00 H new ATOM 0 HD2 HIS A 35 6.991 11.539 -0.696 1.00 0.00 H new ATOM 0 HE1 HIS A 35 8.529 13.501 -4.128 1.00 0.00 H new ATOM 521 N ALA A 36 3.696 16.345 -1.256 1.00 0.00 N ATOM 522 CA ALA A 36 2.412 17.034 -1.235 1.00 0.00 C ATOM 523 C ALA A 36 1.326 16.152 -0.627 1.00 0.00 C ATOM 524 O ALA A 36 1.600 15.046 -0.161 1.00 0.00 O ATOM 525 CB ALA A 36 2.019 17.463 -2.640 1.00 0.00 C ATOM 0 H ALA A 36 3.885 15.833 -2.117 1.00 0.00 H new ATOM 0 HA ALA A 36 2.515 17.922 -0.612 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.058 17.976 -2.608 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.777 18.136 -3.040 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.940 16.584 -3.280 1.00 0.00 H new ATOM 531 N SER A 37 0.093 16.649 -0.633 1.00 0.00 N ATOM 532 CA SER A 37 -1.033 15.908 -0.078 1.00 0.00 C ATOM 533 C SER A 37 -1.585 14.915 -1.098 1.00 0.00 C ATOM 534 O SER A 37 -2.724 14.463 -0.986 1.00 0.00 O ATOM 535 CB SER A 37 -2.137 16.871 0.364 1.00 0.00 C ATOM 536 OG SER A 37 -1.733 17.625 1.492 1.00 0.00 O ATOM 0 H SER A 37 -0.151 17.562 -1.016 1.00 0.00 H new ATOM 0 HA SER A 37 -0.678 15.352 0.790 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.387 17.544 -0.456 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.040 16.309 0.602 1.00 0.00 H new ATOM 0 HG SER A 37 -2.455 18.234 1.754 1.00 0.00 H new ATOM 542 N GLY A 38 -0.770 14.582 -2.092 1.00 0.00 N ATOM 543 CA GLY A 38 -1.194 13.646 -3.118 1.00 0.00 C ATOM 544 C GLY A 38 -0.206 12.513 -3.312 1.00 0.00 C ATOM 545 O GLY A 38 -0.454 11.588 -4.088 1.00 0.00 O ATOM 0 H GLY A 38 0.177 14.943 -2.206 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.167 13.234 -2.850 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -1.322 14.178 -4.061 1.00 0.00 H new ATOM 549 N THR A 39 0.919 12.582 -2.607 1.00 0.00 N ATOM 550 CA THR A 39 1.949 11.555 -2.707 1.00 0.00 C ATOM 551 C THR A 39 1.553 10.303 -1.932 1.00 0.00 C ATOM 552 O THR A 39 1.263 10.365 -0.738 1.00 0.00 O ATOM 553 CB THR A 39 3.303 12.064 -2.180 1.00 0.00 C ATOM 554 OG1 THR A 39 3.789 13.120 -3.018 1.00 0.00 O ATOM 555 CG2 THR A 39 4.323 10.937 -2.132 1.00 0.00 C ATOM 0 H THR A 39 1.140 13.339 -1.960 1.00 0.00 H new ATOM 0 HA THR A 39 2.049 11.309 -3.764 1.00 0.00 H new ATOM 0 HB THR A 39 3.156 12.442 -1.168 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.655 12.864 -3.398 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.272 11.321 -1.757 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.963 10.149 -1.471 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.466 10.533 -3.134 1.00 0.00 H new ATOM 563 N TYR A 40 1.544 9.166 -2.620 1.00 0.00 N ATOM 564 CA TYR A 40 1.183 7.899 -1.997 1.00 0.00 C ATOM 565 C TYR A 40 2.283 6.860 -2.197 1.00 0.00 C ATOM 566 O TYR A 40 3.240 7.087 -2.939 1.00 0.00 O ATOM 567 CB TYR A 40 -0.135 7.380 -2.575 1.00 0.00 C ATOM 568 CG TYR A 40 -0.010 6.847 -3.984 1.00 0.00 C ATOM 569 CD1 TYR A 40 0.073 7.709 -5.070 1.00 0.00 C ATOM 570 CD2 TYR A 40 0.026 5.479 -4.230 1.00 0.00 C ATOM 571 CE1 TYR A 40 0.186 7.227 -6.359 1.00 0.00 C ATOM 572 CE2 TYR A 40 0.140 4.988 -5.516 1.00 0.00 C ATOM 573 CZ TYR A 40 0.220 5.865 -6.577 1.00 0.00 C ATOM 574 OH TYR A 40 0.334 5.380 -7.859 1.00 0.00 O ATOM 0 H TYR A 40 1.783 9.097 -3.609 1.00 0.00 H new ATOM 0 HA TYR A 40 1.061 8.071 -0.928 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -0.519 6.590 -1.929 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -0.869 8.186 -2.564 1.00 0.00 H new ATOM 0 HD1 TYR A 40 0.049 8.776 -4.903 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.036 4.789 -3.402 1.00 0.00 H new ATOM 0 HE1 TYR A 40 0.247 7.912 -7.192 1.00 0.00 H new ATOM 0 HE2 TYR A 40 0.166 3.922 -5.690 1.00 0.00 H new ATOM 0 HH TYR A 40 1.008 4.669 -7.881 1.00 0.00 H new ATOM 584 N LEU A 41 2.138 5.720 -1.531 1.00 0.00 N ATOM 585 CA LEU A 41 3.118 4.644 -1.634 1.00 0.00 C ATOM 586 C LEU A 41 2.615 3.381 -0.945 1.00 0.00 C ATOM 587 O LEU A 41 1.745 3.442 -0.075 1.00 0.00 O ATOM 588 CB LEU A 41 4.450 5.079 -1.018 1.00 0.00 C ATOM 589 CG LEU A 41 4.552 4.973 0.503 1.00 0.00 C ATOM 590 CD1 LEU A 41 4.870 3.545 0.918 1.00 0.00 C ATOM 591 CD2 LEU A 41 5.606 5.932 1.035 1.00 0.00 C ATOM 0 H LEU A 41 1.352 5.517 -0.914 1.00 0.00 H new ATOM 0 HA LEU A 41 3.268 4.424 -2.691 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.245 4.477 -1.458 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.639 6.114 -1.304 1.00 0.00 H new ATOM 0 HG LEU A 41 3.589 5.249 0.933 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.939 3.489 2.004 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.080 2.880 0.569 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.820 3.241 0.478 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.665 5.843 2.120 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.574 5.688 0.598 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.335 6.954 0.769 1.00 0.00 H new ATOM 603 N ILE A 42 3.168 2.238 -1.337 1.00 0.00 N ATOM 604 CA ILE A 42 2.777 0.961 -0.753 1.00 0.00 C ATOM 605 C ILE A 42 3.965 0.272 -0.091 1.00 0.00 C ATOM 606 O ILE A 42 4.906 -0.148 -0.765 1.00 0.00 O ATOM 607 CB ILE A 42 2.177 0.018 -1.812 1.00 0.00 C ATOM 608 CG1 ILE A 42 0.794 0.513 -2.243 1.00 0.00 C ATOM 609 CG2 ILE A 42 2.093 -1.401 -1.272 1.00 0.00 C ATOM 610 CD1 ILE A 42 0.835 1.517 -3.373 1.00 0.00 C ATOM 0 H ILE A 42 3.888 2.170 -2.056 1.00 0.00 H new ATOM 0 HA ILE A 42 2.020 1.178 0.000 1.00 0.00 H new ATOM 0 HB ILE A 42 2.829 0.015 -2.685 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.191 -0.342 -2.549 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.295 0.964 -1.385 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.667 -2.055 -2.033 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.092 -1.751 -1.011 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.460 -1.416 -0.385 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.180 1.823 -3.625 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.411 2.389 -3.064 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.304 1.063 -4.246 1.00 0.00 H new ATOM 622 N ARG A 43 3.914 0.158 1.232 1.00 0.00 N ATOM 623 CA ARG A 43 4.987 -0.480 1.986 1.00 0.00 C ATOM 624 C ARG A 43 4.579 -1.882 2.430 1.00 0.00 C ATOM 625 O ARG A 43 3.423 -2.277 2.282 1.00 0.00 O ATOM 626 CB ARG A 43 5.355 0.366 3.206 1.00 0.00 C ATOM 627 CG ARG A 43 4.171 1.089 3.826 1.00 0.00 C ATOM 628 CD ARG A 43 4.385 1.337 5.311 1.00 0.00 C ATOM 629 NE ARG A 43 5.729 1.837 5.594 1.00 0.00 N ATOM 630 CZ ARG A 43 6.294 1.783 6.794 1.00 0.00 C ATOM 631 NH1 ARG A 43 5.638 1.254 7.818 1.00 0.00 N ATOM 632 NH2 ARG A 43 7.520 2.258 6.974 1.00 0.00 N ATOM 0 H ARG A 43 3.141 0.499 1.804 1.00 0.00 H new ATOM 0 HA ARG A 43 5.857 -0.562 1.334 1.00 0.00 H new ATOM 0 HB2 ARG A 43 5.812 -0.277 3.959 1.00 0.00 H new ATOM 0 HB3 ARG A 43 6.106 1.100 2.915 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.016 2.040 3.316 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.266 0.499 3.681 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.648 2.056 5.668 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.219 0.411 5.861 1.00 0.00 H new ATOM 0 HE ARG A 43 6.261 2.250 4.828 1.00 0.00 H new ATOM 0 HH11 ARG A 43 4.696 0.887 7.685 1.00 0.00 H new ATOM 0 HH12 ARG A 43 6.076 1.214 8.738 1.00 0.00 H new ATOM 0 HH21 ARG A 43 8.029 2.665 6.190 1.00 0.00 H new ATOM 0 HH22 ARG A 43 7.953 2.216 7.897 1.00 0.00 H new ATOM 646 N GLU A 44 5.536 -2.627 2.974 1.00 0.00 N ATOM 647 CA GLU A 44 5.276 -3.985 3.437 1.00 0.00 C ATOM 648 C GLU A 44 6.001 -4.259 4.751 1.00 0.00 C ATOM 649 O GLU A 44 7.186 -3.956 4.894 1.00 0.00 O ATOM 650 CB GLU A 44 5.712 -5.001 2.380 1.00 0.00 C ATOM 651 CG GLU A 44 6.147 -6.335 2.961 1.00 0.00 C ATOM 652 CD GLU A 44 6.506 -7.349 1.892 1.00 0.00 C ATOM 653 OE1 GLU A 44 5.580 -7.923 1.283 1.00 0.00 O ATOM 654 OE2 GLU A 44 7.715 -7.567 1.665 1.00 0.00 O ATOM 0 H GLU A 44 6.498 -2.313 3.105 1.00 0.00 H new ATOM 0 HA GLU A 44 4.204 -4.085 3.605 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.888 -5.168 1.687 1.00 0.00 H new ATOM 0 HB3 GLU A 44 6.535 -4.581 1.802 1.00 0.00 H new ATOM 0 HG2 GLU A 44 7.007 -6.180 3.613 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.345 -6.735 3.581 1.00 0.00 H new ATOM 749 N ARG A 51 0.884 -8.430 5.776 1.00 0.00 N ATOM 750 CA ARG A 51 2.236 -8.104 5.337 1.00 0.00 C ATOM 751 C ARG A 51 2.211 -7.034 4.250 1.00 0.00 C ATOM 752 O ARG A 51 2.936 -7.123 3.259 1.00 0.00 O ATOM 753 CB ARG A 51 2.943 -9.356 4.819 1.00 0.00 C ATOM 754 CG ARG A 51 4.432 -9.163 4.583 1.00 0.00 C ATOM 755 CD ARG A 51 5.197 -10.466 4.752 1.00 0.00 C ATOM 756 NE ARG A 51 5.048 -11.341 3.592 1.00 0.00 N ATOM 757 CZ ARG A 51 5.874 -12.345 3.318 1.00 0.00 C ATOM 758 NH1 ARG A 51 6.902 -12.599 4.117 1.00 0.00 N ATOM 759 NH2 ARG A 51 5.673 -13.098 2.244 1.00 0.00 N ATOM 0 HA ARG A 51 2.785 -7.714 6.194 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.799 -10.166 5.534 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.474 -9.668 3.886 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.594 -8.772 3.578 1.00 0.00 H new ATOM 0 HG3 ARG A 51 4.819 -8.420 5.280 1.00 0.00 H new ATOM 0 HD2 ARG A 51 6.253 -10.249 4.909 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.842 -10.982 5.644 1.00 0.00 H new ATOM 0 HE ARG A 51 4.267 -11.172 2.958 1.00 0.00 H new ATOM 0 HH11 ARG A 51 7.060 -12.023 4.944 1.00 0.00 H new ATOM 0 HH12 ARG A 51 7.535 -13.370 3.905 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.883 -12.906 1.627 1.00 0.00 H new ATOM 0 HH22 ARG A 51 6.308 -13.868 2.035 1.00 0.00 H new ATOM 773 N PHE A 52 1.370 -6.022 4.441 1.00 0.00 N ATOM 774 CA PHE A 52 1.249 -4.936 3.476 1.00 0.00 C ATOM 775 C PHE A 52 0.648 -3.693 4.128 1.00 0.00 C ATOM 776 O PHE A 52 -0.194 -3.794 5.019 1.00 0.00 O ATOM 777 CB PHE A 52 0.385 -5.372 2.290 1.00 0.00 C ATOM 778 CG PHE A 52 1.118 -6.228 1.298 1.00 0.00 C ATOM 779 CD1 PHE A 52 2.357 -5.843 0.813 1.00 0.00 C ATOM 780 CD2 PHE A 52 0.568 -7.418 0.850 1.00 0.00 C ATOM 781 CE1 PHE A 52 3.034 -6.630 -0.101 1.00 0.00 C ATOM 782 CE2 PHE A 52 1.240 -8.209 -0.063 1.00 0.00 C ATOM 783 CZ PHE A 52 2.474 -7.814 -0.539 1.00 0.00 C ATOM 0 H PHE A 52 0.763 -5.932 5.255 1.00 0.00 H new ATOM 0 HA PHE A 52 2.248 -4.690 3.117 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.480 -5.921 2.663 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.005 -4.486 1.782 1.00 0.00 H new ATOM 0 HD1 PHE A 52 2.799 -4.918 1.152 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.398 -7.731 1.219 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.999 -6.319 -0.472 1.00 0.00 H new ATOM 0 HE2 PHE A 52 0.800 -9.135 -0.403 1.00 0.00 H new ATOM 0 HZ PHE A 52 3.001 -8.430 -1.253 1.00 0.00 H new ATOM 793 N ALA A 53 1.088 -2.524 3.676 1.00 0.00 N ATOM 794 CA ALA A 53 0.594 -1.262 4.213 1.00 0.00 C ATOM 795 C ALA A 53 0.677 -0.152 3.171 1.00 0.00 C ATOM 796 O ALA A 53 1.553 -0.164 2.305 1.00 0.00 O ATOM 797 CB ALA A 53 1.376 -0.877 5.461 1.00 0.00 C ATOM 0 H ALA A 53 1.786 -2.424 2.939 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.454 -1.395 4.481 1.00 0.00 H new ATOM 0 HB1 ALA A 53 0.996 0.067 5.851 1.00 0.00 H new ATOM 0 HB2 ALA A 53 1.261 -1.654 6.217 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.431 -0.768 5.210 1.00 0.00 H new ATOM 803 N ILE A 54 -0.239 0.806 3.260 1.00 0.00 N ATOM 804 CA ILE A 54 -0.270 1.923 2.325 1.00 0.00 C ATOM 805 C ILE A 54 -0.108 3.254 3.053 1.00 0.00 C ATOM 806 O ILE A 54 -0.843 3.551 3.993 1.00 0.00 O ATOM 807 CB ILE A 54 -1.581 1.948 1.518 1.00 0.00 C ATOM 808 CG1 ILE A 54 -1.853 0.574 0.902 1.00 0.00 C ATOM 809 CG2 ILE A 54 -1.517 3.016 0.436 1.00 0.00 C ATOM 810 CD1 ILE A 54 -3.308 0.341 0.564 1.00 0.00 C ATOM 0 H ILE A 54 -0.970 0.831 3.971 1.00 0.00 H new ATOM 0 HA ILE A 54 0.565 1.782 1.639 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.401 2.191 2.193 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.256 0.466 -0.004 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.521 -0.198 1.596 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.451 3.021 -0.126 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.365 3.992 0.897 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.689 2.801 -0.239 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.426 -0.652 0.132 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.909 0.416 1.470 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.639 1.091 -0.154 1.00 0.00 H new ATOM 822 N SER A 55 0.858 4.051 2.608 1.00 0.00 N ATOM 823 CA SER A 55 1.118 5.351 3.219 1.00 0.00 C ATOM 824 C SER A 55 0.881 6.478 2.218 1.00 0.00 C ATOM 825 O SER A 55 1.568 6.575 1.201 1.00 0.00 O ATOM 826 CB SER A 55 2.553 5.413 3.744 1.00 0.00 C ATOM 827 OG SER A 55 2.811 4.355 4.651 1.00 0.00 O ATOM 0 H SER A 55 1.473 3.821 1.828 1.00 0.00 H new ATOM 0 HA SER A 55 0.428 5.478 4.053 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.252 5.359 2.909 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.721 6.369 4.239 1.00 0.00 H new ATOM 0 HG SER A 55 2.191 4.414 5.407 1.00 0.00 H new ATOM 833 N ILE A 56 -0.098 7.327 2.514 1.00 0.00 N ATOM 834 CA ILE A 56 -0.425 8.448 1.642 1.00 0.00 C ATOM 835 C ILE A 56 -0.492 9.753 2.428 1.00 0.00 C ATOM 836 O ILE A 56 -1.028 9.799 3.535 1.00 0.00 O ATOM 837 CB ILE A 56 -1.768 8.226 0.921 1.00 0.00 C ATOM 838 CG1 ILE A 56 -1.922 6.757 0.523 1.00 0.00 C ATOM 839 CG2 ILE A 56 -1.867 9.125 -0.302 1.00 0.00 C ATOM 840 CD1 ILE A 56 -2.522 5.895 1.611 1.00 0.00 C ATOM 0 H ILE A 56 -0.678 7.260 3.350 1.00 0.00 H new ATOM 0 HA ILE A 56 0.370 8.514 0.899 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.577 8.484 1.604 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.549 6.694 -0.366 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.944 6.358 0.253 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.821 8.957 -0.801 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.798 10.168 0.007 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.053 8.895 -0.989 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.601 4.867 1.258 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.884 5.928 2.494 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.514 6.269 1.866 1.00 0.00 H new ATOM 852 N LYS A 57 0.053 10.816 1.845 1.00 0.00 N ATOM 853 CA LYS A 57 0.054 12.125 2.487 1.00 0.00 C ATOM 854 C LYS A 57 -1.290 12.823 2.301 1.00 0.00 C ATOM 855 O LYS A 57 -1.761 12.996 1.177 1.00 0.00 O ATOM 856 CB LYS A 57 1.176 12.996 1.916 1.00 0.00 C ATOM 857 CG LYS A 57 1.369 14.305 2.662 1.00 0.00 C ATOM 858 CD LYS A 57 1.987 14.080 4.032 1.00 0.00 C ATOM 859 CE LYS A 57 1.850 15.312 4.914 1.00 0.00 C ATOM 860 NZ LYS A 57 2.582 16.480 4.353 1.00 0.00 N ATOM 0 H LYS A 57 0.500 10.796 0.928 1.00 0.00 H new ATOM 0 HA LYS A 57 0.223 11.978 3.554 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.109 12.433 1.939 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.960 13.212 0.870 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.008 14.967 2.078 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.408 14.807 2.773 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.505 13.230 4.515 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.041 13.827 3.920 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.795 15.564 5.025 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.231 15.089 5.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.478 17.294 4.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.590 16.243 4.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.190 16.720 3.420 1.00 0.00 H new ATOM 874 N PHE A 58 -1.902 13.222 3.412 1.00 0.00 N ATOM 875 CA PHE A 58 -3.192 13.901 3.371 1.00 0.00 C ATOM 876 C PHE A 58 -3.432 14.690 4.655 1.00 0.00 C ATOM 877 O PHE A 58 -3.061 14.253 5.743 1.00 0.00 O ATOM 878 CB PHE A 58 -4.320 12.889 3.164 1.00 0.00 C ATOM 879 CG PHE A 58 -5.603 13.509 2.691 1.00 0.00 C ATOM 880 CD1 PHE A 58 -5.775 13.849 1.359 1.00 0.00 C ATOM 881 CD2 PHE A 58 -6.639 13.752 3.579 1.00 0.00 C ATOM 882 CE1 PHE A 58 -6.955 14.420 0.921 1.00 0.00 C ATOM 883 CE2 PHE A 58 -7.821 14.322 3.147 1.00 0.00 C ATOM 884 CZ PHE A 58 -7.979 14.658 1.816 1.00 0.00 C ATOM 0 H PHE A 58 -1.526 13.087 4.350 1.00 0.00 H new ATOM 0 HA PHE A 58 -3.180 14.598 2.533 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.998 12.142 2.439 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.503 12.365 4.102 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -4.977 13.666 0.654 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -6.521 13.493 4.621 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -7.076 14.680 -0.120 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -8.621 14.505 3.849 1.00 0.00 H new ATOM 0 HZ PHE A 58 -8.901 15.106 1.477 1.00 0.00 H new ATOM 894 N ASN A 59 -4.056 15.856 4.518 1.00 0.00 N ATOM 895 CA ASN A 59 -4.344 16.707 5.667 1.00 0.00 C ATOM 896 C ASN A 59 -3.069 17.027 6.441 1.00 0.00 C ATOM 897 O ASN A 59 -3.098 17.199 7.659 1.00 0.00 O ATOM 898 CB ASN A 59 -5.357 16.027 6.590 1.00 0.00 C ATOM 899 CG ASN A 59 -6.790 16.351 6.213 1.00 0.00 C ATOM 900 OD1 ASN A 59 -7.568 15.462 5.865 1.00 0.00 O ATOM 901 ND2 ASN A 59 -7.146 17.628 6.281 1.00 0.00 N ATOM 0 H ASN A 59 -4.371 16.233 3.624 1.00 0.00 H new ATOM 0 HA ASN A 59 -4.768 17.641 5.298 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -5.210 14.948 6.554 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -5.175 16.340 7.618 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -8.097 17.906 6.040 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -6.468 18.331 6.575 1.00 0.00 H new ATOM 908 N ASP A 60 -1.953 17.107 5.725 1.00 0.00 N ATOM 909 CA ASP A 60 -0.668 17.409 6.343 1.00 0.00 C ATOM 910 C ASP A 60 -0.294 16.342 7.369 1.00 0.00 C ATOM 911 O ASP A 60 0.390 16.625 8.351 1.00 0.00 O ATOM 912 CB ASP A 60 -0.709 18.783 7.012 1.00 0.00 C ATOM 913 CG ASP A 60 -0.426 19.909 6.037 1.00 0.00 C ATOM 914 OD1 ASP A 60 -1.323 20.234 5.230 1.00 0.00 O ATOM 915 OD2 ASP A 60 0.690 20.466 6.083 1.00 0.00 O ATOM 0 H ASP A 60 -1.913 16.967 4.715 1.00 0.00 H new ATOM 0 HA ASP A 60 0.090 17.417 5.560 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.689 18.935 7.464 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.022 18.813 7.820 1.00 0.00 H new ATOM 920 N GLU A 61 -0.751 15.115 7.132 1.00 0.00 N ATOM 921 CA GLU A 61 -0.466 14.008 8.037 1.00 0.00 C ATOM 922 C GLU A 61 -0.270 12.709 7.261 1.00 0.00 C ATOM 923 O GLU A 61 -1.079 12.357 6.403 1.00 0.00 O ATOM 924 CB GLU A 61 -1.600 13.843 9.051 1.00 0.00 C ATOM 925 CG GLU A 61 -1.449 14.722 10.281 1.00 0.00 C ATOM 926 CD GLU A 61 -2.141 14.142 11.500 1.00 0.00 C ATOM 927 OE1 GLU A 61 -3.339 14.434 11.697 1.00 0.00 O ATOM 928 OE2 GLU A 61 -1.484 13.397 12.257 1.00 0.00 O ATOM 0 H GLU A 61 -1.319 14.864 6.323 1.00 0.00 H new ATOM 0 HA GLU A 61 0.457 14.236 8.570 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -2.548 14.073 8.564 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.648 12.800 9.364 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.390 14.857 10.499 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -1.859 15.710 10.070 1.00 0.00 H new ATOM 935 N VAL A 62 0.812 12.000 7.569 1.00 0.00 N ATOM 936 CA VAL A 62 1.115 10.740 6.902 1.00 0.00 C ATOM 937 C VAL A 62 0.328 9.588 7.517 1.00 0.00 C ATOM 938 O VAL A 62 0.596 9.171 8.645 1.00 0.00 O ATOM 939 CB VAL A 62 2.619 10.414 6.973 1.00 0.00 C ATOM 940 CG1 VAL A 62 2.927 9.141 6.200 1.00 0.00 C ATOM 941 CG2 VAL A 62 3.441 11.580 6.445 1.00 0.00 C ATOM 0 H VAL A 62 1.493 12.277 8.276 1.00 0.00 H new ATOM 0 HA VAL A 62 0.825 10.858 5.858 1.00 0.00 H new ATOM 0 HB VAL A 62 2.889 10.251 8.016 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.994 8.927 6.262 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.365 8.311 6.628 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.643 9.272 5.156 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.501 11.333 6.502 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.170 11.776 5.408 1.00 0.00 H new ATOM 0 HG23 VAL A 62 3.242 12.467 7.046 1.00 0.00 H new ATOM 951 N LYS A 63 -0.645 9.078 6.771 1.00 0.00 N ATOM 952 CA LYS A 63 -1.472 7.973 7.241 1.00 0.00 C ATOM 953 C LYS A 63 -0.860 6.632 6.852 1.00 0.00 C ATOM 954 O LYS A 63 -0.071 6.548 5.909 1.00 0.00 O ATOM 955 CB LYS A 63 -2.886 8.087 6.666 1.00 0.00 C ATOM 956 CG LYS A 63 -3.468 9.487 6.753 1.00 0.00 C ATOM 957 CD LYS A 63 -3.853 9.842 8.179 1.00 0.00 C ATOM 958 CE LYS A 63 -4.980 10.864 8.214 1.00 0.00 C ATOM 959 NZ LYS A 63 -5.796 10.748 9.454 1.00 0.00 N ATOM 0 H LYS A 63 -0.881 9.413 5.837 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.523 8.027 8.328 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.871 7.773 5.622 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -3.542 7.397 7.197 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.740 10.208 6.381 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.345 9.558 6.110 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.161 8.941 8.709 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.984 10.239 8.704 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.562 11.868 8.147 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.621 10.727 7.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.553 11.461 9.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.216 9.798 9.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.190 10.904 10.284 1.00 0.00 H new ATOM 973 N HIS A 64 -1.229 5.583 7.581 1.00 0.00 N ATOM 974 CA HIS A 64 -0.716 4.245 7.311 1.00 0.00 C ATOM 975 C HIS A 64 -1.819 3.201 7.462 1.00 0.00 C ATOM 976 O HIS A 64 -2.318 2.967 8.563 1.00 0.00 O ATOM 977 CB HIS A 64 0.442 3.919 8.253 1.00 0.00 C ATOM 978 CG HIS A 64 1.688 4.698 7.962 1.00 0.00 C ATOM 979 ND1 HIS A 64 2.725 4.204 7.200 1.00 0.00 N ATOM 980 CD2 HIS A 64 2.060 5.945 8.336 1.00 0.00 C ATOM 981 CE1 HIS A 64 3.681 5.112 7.118 1.00 0.00 C ATOM 982 NE2 HIS A 64 3.302 6.178 7.798 1.00 0.00 N ATOM 0 H HIS A 64 -1.882 5.634 8.363 1.00 0.00 H new ATOM 0 HA HIS A 64 -0.355 4.222 6.283 1.00 0.00 H new ATOM 0 HB2 HIS A 64 0.131 4.116 9.279 1.00 0.00 H new ATOM 0 HB3 HIS A 64 0.665 2.854 8.186 1.00 0.00 H new ATOM 0 HD2 HIS A 64 1.487 6.629 8.944 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.614 5.001 6.585 1.00 0.00 H new ATOM 0 HE2 HIS A 64 3.844 7.036 7.906 1.00 0.00 H new ATOM 991 N ILE A 65 -2.194 2.578 6.349 1.00 0.00 N ATOM 992 CA ILE A 65 -3.236 1.560 6.358 1.00 0.00 C ATOM 993 C ILE A 65 -2.636 0.158 6.353 1.00 0.00 C ATOM 994 O ILE A 65 -1.535 -0.056 5.844 1.00 0.00 O ATOM 995 CB ILE A 65 -4.178 1.708 5.149 1.00 0.00 C ATOM 996 CG1 ILE A 65 -4.769 3.118 5.105 1.00 0.00 C ATOM 997 CG2 ILE A 65 -5.285 0.665 5.209 1.00 0.00 C ATOM 998 CD1 ILE A 65 -5.241 3.533 3.729 1.00 0.00 C ATOM 0 H ILE A 65 -1.791 2.761 5.430 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.809 1.703 7.274 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.603 1.547 4.237 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.607 3.174 5.800 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.019 3.829 5.453 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.943 0.782 4.348 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.846 -0.333 5.197 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.860 0.797 6.125 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.648 4.543 3.773 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.402 3.510 3.034 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -6.014 2.845 3.387 1.00 0.00 H new ATOM 1010 N LYS A 66 -3.367 -0.795 6.919 1.00 0.00 N ATOM 1011 CA LYS A 66 -2.909 -2.178 6.978 1.00 0.00 C ATOM 1012 C LYS A 66 -3.682 -3.049 5.992 1.00 0.00 C ATOM 1013 O LYS A 66 -4.830 -3.417 6.241 1.00 0.00 O ATOM 1014 CB LYS A 66 -3.069 -2.730 8.396 1.00 0.00 C ATOM 1015 CG LYS A 66 -4.412 -2.404 9.029 1.00 0.00 C ATOM 1016 CD LYS A 66 -4.509 -2.952 10.443 1.00 0.00 C ATOM 1017 CE LYS A 66 -5.956 -3.172 10.856 1.00 0.00 C ATOM 1018 NZ LYS A 66 -6.119 -3.153 12.336 1.00 0.00 N ATOM 0 H LYS A 66 -4.280 -0.635 7.344 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.854 -2.197 6.704 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -2.941 -3.812 8.372 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.274 -2.329 9.025 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.555 -1.324 9.046 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -5.214 -2.822 8.420 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -3.964 -3.893 10.508 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.033 -2.259 11.137 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -6.582 -2.398 10.412 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -6.304 -4.128 10.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -7.119 -3.306 12.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -5.541 -3.907 12.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -5.811 -2.232 12.707 1.00 0.00 H new ATOM 1032 N VAL A 67 -3.044 -3.377 4.873 1.00 0.00 N ATOM 1033 CA VAL A 67 -3.671 -4.207 3.851 1.00 0.00 C ATOM 1034 C VAL A 67 -3.784 -5.656 4.313 1.00 0.00 C ATOM 1035 O VAL A 67 -2.848 -6.441 4.163 1.00 0.00 O ATOM 1036 CB VAL A 67 -2.882 -4.161 2.529 1.00 0.00 C ATOM 1037 CG1 VAL A 67 -3.536 -5.052 1.485 1.00 0.00 C ATOM 1038 CG2 VAL A 67 -2.770 -2.729 2.025 1.00 0.00 C ATOM 0 H VAL A 67 -2.094 -3.081 4.651 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.670 -3.803 3.684 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.876 -4.537 2.714 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.964 -5.006 0.558 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.559 -6.080 1.847 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.554 -4.709 1.301 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -2.210 -2.715 1.090 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.768 -2.324 1.856 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.252 -2.121 2.767 1.00 0.00 H new ATOM 1048 N VAL A 68 -4.937 -6.004 4.875 1.00 0.00 N ATOM 1049 CA VAL A 68 -5.174 -7.359 5.357 1.00 0.00 C ATOM 1050 C VAL A 68 -5.139 -8.364 4.212 1.00 0.00 C ATOM 1051 O VAL A 68 -5.652 -8.098 3.125 1.00 0.00 O ATOM 1052 CB VAL A 68 -6.530 -7.468 6.080 1.00 0.00 C ATOM 1053 CG1 VAL A 68 -6.834 -8.917 6.430 1.00 0.00 C ATOM 1054 CG2 VAL A 68 -6.538 -6.597 7.328 1.00 0.00 C ATOM 0 H VAL A 68 -5.722 -5.366 5.008 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.375 -7.588 6.062 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.311 -7.110 5.409 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.796 -8.974 6.940 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.872 -9.512 5.517 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.053 -9.305 7.084 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.503 -6.685 7.827 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.748 -6.923 8.005 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.369 -5.557 7.047 1.00 0.00 H new ATOM 1064 N GLU A 69 -4.532 -9.519 4.463 1.00 0.00 N ATOM 1065 CA GLU A 69 -4.432 -10.565 3.451 1.00 0.00 C ATOM 1066 C GLU A 69 -4.811 -11.923 4.033 1.00 0.00 C ATOM 1067 O GLU A 69 -4.057 -12.514 4.806 1.00 0.00 O ATOM 1068 CB GLU A 69 -3.012 -10.620 2.883 1.00 0.00 C ATOM 1069 CG GLU A 69 -2.953 -11.085 1.438 1.00 0.00 C ATOM 1070 CD GLU A 69 -2.862 -12.593 1.314 1.00 0.00 C ATOM 1071 OE1 GLU A 69 -2.463 -13.247 2.300 1.00 0.00 O ATOM 1072 OE2 GLU A 69 -3.191 -13.121 0.230 1.00 0.00 O ATOM 0 H GLU A 69 -4.102 -9.755 5.357 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.129 -10.326 2.648 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.562 -9.630 2.956 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.410 -11.290 3.497 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.840 -10.734 0.911 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.091 -10.631 0.949 1.00 0.00 H new ATOM 1079 N LYS A 70 -5.988 -12.413 3.656 1.00 0.00 N ATOM 1080 CA LYS A 70 -6.471 -13.702 4.138 1.00 0.00 C ATOM 1081 C LYS A 70 -7.101 -14.505 3.004 1.00 0.00 C ATOM 1082 O LYS A 70 -7.691 -13.940 2.083 1.00 0.00 O ATOM 1083 CB LYS A 70 -7.489 -13.501 5.262 1.00 0.00 C ATOM 1084 CG LYS A 70 -8.075 -14.798 5.791 1.00 0.00 C ATOM 1085 CD LYS A 70 -8.931 -14.560 7.024 1.00 0.00 C ATOM 1086 CE LYS A 70 -8.077 -14.369 8.268 1.00 0.00 C ATOM 1087 NZ LYS A 70 -8.898 -14.371 9.510 1.00 0.00 N ATOM 0 H LYS A 70 -6.625 -11.936 3.018 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.618 -14.260 4.525 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -7.011 -12.967 6.083 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -8.299 -12.868 4.899 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -8.677 -15.270 5.014 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.269 -15.490 6.034 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -9.554 -13.679 6.871 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -9.604 -15.405 7.170 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -7.333 -15.164 8.323 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -7.533 -13.427 8.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -8.279 -14.238 10.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -9.591 -13.597 9.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -9.398 -15.279 9.594 1.00 0.00 H new ATOM 1101 N ASP A 71 -6.972 -15.825 3.079 1.00 0.00 N ATOM 1102 CA ASP A 71 -7.532 -16.707 2.060 1.00 0.00 C ATOM 1103 C ASP A 71 -6.955 -16.383 0.685 1.00 0.00 C ATOM 1104 O ASP A 71 -7.585 -16.641 -0.338 1.00 0.00 O ATOM 1105 CB ASP A 71 -9.055 -16.584 2.030 1.00 0.00 C ATOM 1106 CG ASP A 71 -9.698 -17.031 3.328 1.00 0.00 C ATOM 1107 OD1 ASP A 71 -9.193 -17.996 3.938 1.00 0.00 O ATOM 1108 OD2 ASP A 71 -10.707 -16.416 3.733 1.00 0.00 O ATOM 0 H ASP A 71 -6.485 -16.308 3.834 1.00 0.00 H new ATOM 0 HA ASP A 71 -7.264 -17.732 2.314 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -9.329 -15.548 1.830 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -9.449 -17.182 1.208 1.00 0.00 H new ATOM 1113 N ASN A 72 -5.753 -15.815 0.672 1.00 0.00 N ATOM 1114 CA ASN A 72 -5.092 -15.454 -0.577 1.00 0.00 C ATOM 1115 C ASN A 72 -5.808 -14.289 -1.255 1.00 0.00 C ATOM 1116 O ASN A 72 -5.867 -14.214 -2.482 1.00 0.00 O ATOM 1117 CB ASN A 72 -5.047 -16.657 -1.521 1.00 0.00 C ATOM 1118 CG ASN A 72 -3.831 -16.637 -2.426 1.00 0.00 C ATOM 1119 OD1 ASN A 72 -2.947 -17.487 -2.317 1.00 0.00 O ATOM 1120 ND2 ASN A 72 -3.782 -15.663 -3.327 1.00 0.00 N ATOM 0 H ASN A 72 -5.217 -15.595 1.512 1.00 0.00 H new ATOM 0 HA ASN A 72 -4.073 -15.145 -0.343 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -5.045 -17.576 -0.934 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -5.950 -16.671 -2.131 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -2.989 -15.598 -3.965 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -4.538 -14.980 -3.381 1.00 0.00 H new ATOM 1127 N TRP A 73 -6.349 -13.385 -0.446 1.00 0.00 N ATOM 1128 CA TRP A 73 -7.060 -12.223 -0.967 1.00 0.00 C ATOM 1129 C TRP A 73 -6.675 -10.961 -0.203 1.00 0.00 C ATOM 1130 O TRP A 73 -6.377 -11.015 0.991 1.00 0.00 O ATOM 1131 CB TRP A 73 -8.571 -12.444 -0.884 1.00 0.00 C ATOM 1132 CG TRP A 73 -9.008 -13.769 -1.430 1.00 0.00 C ATOM 1133 CD1 TRP A 73 -9.755 -14.715 -0.788 1.00 0.00 C ATOM 1134 CD2 TRP A 73 -8.723 -14.295 -2.731 1.00 0.00 C ATOM 1135 NE1 TRP A 73 -9.952 -15.798 -1.611 1.00 0.00 N ATOM 1136 CE2 TRP A 73 -9.331 -15.565 -2.809 1.00 0.00 C ATOM 1137 CE3 TRP A 73 -8.017 -13.817 -3.838 1.00 0.00 C ATOM 1138 CZ2 TRP A 73 -9.249 -16.359 -3.950 1.00 0.00 C ATOM 1139 CZ3 TRP A 73 -7.938 -14.607 -4.970 1.00 0.00 C ATOM 1140 CH2 TRP A 73 -8.551 -15.866 -5.019 1.00 0.00 C ATOM 0 H TRP A 73 -6.309 -13.434 0.572 1.00 0.00 H new ATOM 0 HA TRP A 73 -6.776 -12.093 -2.011 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -8.886 -12.366 0.157 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -9.078 -11.649 -1.431 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -10.135 -14.625 0.219 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -10.476 -16.639 -1.369 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -7.541 -12.848 -3.810 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -9.720 -17.330 -3.990 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -7.394 -14.247 -5.831 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -8.471 -16.459 -5.918 1.00 0.00 H new ATOM 1151 N ILE A 74 -6.685 -9.828 -0.896 1.00 0.00 N ATOM 1152 CA ILE A 74 -6.338 -8.553 -0.281 1.00 0.00 C ATOM 1153 C ILE A 74 -7.587 -7.749 0.061 1.00 0.00 C ATOM 1154 O ILE A 74 -8.583 -7.792 -0.663 1.00 0.00 O ATOM 1155 CB ILE A 74 -5.435 -7.711 -1.201 1.00 0.00 C ATOM 1156 CG1 ILE A 74 -3.969 -8.111 -1.020 1.00 0.00 C ATOM 1157 CG2 ILE A 74 -5.624 -6.228 -0.916 1.00 0.00 C ATOM 1158 CD1 ILE A 74 -3.568 -9.320 -1.836 1.00 0.00 C ATOM 0 H ILE A 74 -6.930 -9.767 -1.884 1.00 0.00 H new ATOM 0 HA ILE A 74 -5.795 -8.783 0.636 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.718 -7.902 -2.236 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.334 -7.269 -1.297 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -3.784 -8.317 0.034 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -4.979 -5.646 -1.574 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -6.664 -5.953 -1.092 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -5.364 -6.021 0.122 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -2.517 -9.546 -1.659 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -4.178 -10.175 -1.543 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -3.720 -9.111 -2.895 1.00 0.00 H new ATOM 1170 N HIS A 75 -7.529 -7.016 1.167 1.00 0.00 N ATOM 1171 CA HIS A 75 -8.656 -6.199 1.605 1.00 0.00 C ATOM 1172 C HIS A 75 -8.266 -5.329 2.796 1.00 0.00 C ATOM 1173 O HIS A 75 -7.174 -5.466 3.347 1.00 0.00 O ATOM 1174 CB HIS A 75 -9.843 -7.088 1.974 1.00 0.00 C ATOM 1175 CG HIS A 75 -9.542 -8.066 3.067 1.00 0.00 C ATOM 1176 ND1 HIS A 75 -10.100 -7.983 4.326 1.00 0.00 N ATOM 1177 CD2 HIS A 75 -8.738 -9.155 3.085 1.00 0.00 C ATOM 1178 CE1 HIS A 75 -9.650 -8.977 5.071 1.00 0.00 C ATOM 1179 NE2 HIS A 75 -8.822 -9.703 4.341 1.00 0.00 N ATOM 0 H HIS A 75 -6.713 -6.970 1.778 1.00 0.00 H new ATOM 0 HA HIS A 75 -8.943 -5.546 0.780 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -10.677 -6.457 2.282 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -10.167 -7.634 1.088 1.00 0.00 H new ATOM 0 HD1 HIS A 75 -10.757 -7.266 4.634 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -8.141 -9.524 2.264 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -9.914 -9.164 6.101 1.00 0.00 H new ATOM 1188 N ILE A 76 -9.166 -4.433 3.187 1.00 0.00 N ATOM 1189 CA ILE A 76 -8.917 -3.541 4.313 1.00 0.00 C ATOM 1190 C ILE A 76 -10.190 -3.300 5.116 1.00 0.00 C ATOM 1191 O ILE A 76 -11.298 -3.392 4.587 1.00 0.00 O ATOM 1192 CB ILE A 76 -8.355 -2.186 3.843 1.00 0.00 C ATOM 1193 CG1 ILE A 76 -9.343 -1.500 2.898 1.00 0.00 C ATOM 1194 CG2 ILE A 76 -7.008 -2.378 3.163 1.00 0.00 C ATOM 1195 CD1 ILE A 76 -8.977 -0.067 2.578 1.00 0.00 C ATOM 0 H ILE A 76 -10.074 -4.305 2.741 1.00 0.00 H new ATOM 0 HA ILE A 76 -8.179 -4.032 4.947 1.00 0.00 H new ATOM 0 HB ILE A 76 -8.211 -1.547 4.714 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -9.400 -2.068 1.969 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -10.337 -1.522 3.346 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -6.624 -1.411 2.837 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -6.307 -2.829 3.865 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.127 -3.032 2.299 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -9.721 0.357 1.903 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -8.949 0.516 3.499 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -7.997 -0.040 2.101 1.00 0.00 H new ATOM 1207 N THR A 77 -10.025 -2.989 6.398 1.00 0.00 N ATOM 1208 CA THR A 77 -11.160 -2.733 7.275 1.00 0.00 C ATOM 1209 C THR A 77 -12.369 -3.569 6.868 1.00 0.00 C ATOM 1210 O THR A 77 -13.509 -3.119 6.973 1.00 0.00 O ATOM 1211 CB THR A 77 -11.554 -1.244 7.265 1.00 0.00 C ATOM 1212 OG1 THR A 77 -12.210 -0.902 8.492 1.00 0.00 O ATOM 1213 CG2 THR A 77 -12.470 -0.934 6.091 1.00 0.00 C ATOM 0 H THR A 77 -9.115 -2.908 6.852 1.00 0.00 H new ATOM 0 HA THR A 77 -10.850 -3.012 8.282 1.00 0.00 H new ATOM 0 HB THR A 77 -10.645 -0.651 7.162 1.00 0.00 H new ATOM 0 HG1 THR A 77 -12.985 -1.487 8.623 1.00 0.00 H new ATOM 0 HG21 THR A 77 -12.735 0.123 6.105 1.00 0.00 H new ATOM 0 HG22 THR A 77 -11.957 -1.167 5.158 1.00 0.00 H new ATOM 0 HG23 THR A 77 -13.376 -1.536 6.167 1.00 0.00 H new ATOM 1221 N GLU A 78 -12.110 -4.788 6.405 1.00 0.00 N ATOM 1222 CA GLU A 78 -13.179 -5.686 5.982 1.00 0.00 C ATOM 1223 C GLU A 78 -14.323 -4.907 5.342 1.00 0.00 C ATOM 1224 O GLU A 78 -15.486 -5.078 5.706 1.00 0.00 O ATOM 1225 CB GLU A 78 -13.700 -6.491 7.175 1.00 0.00 C ATOM 1226 CG GLU A 78 -12.699 -7.499 7.712 1.00 0.00 C ATOM 1227 CD GLU A 78 -13.368 -8.704 8.346 1.00 0.00 C ATOM 1228 OE1 GLU A 78 -13.716 -8.627 9.543 1.00 0.00 O ATOM 1229 OE2 GLU A 78 -13.541 -9.723 7.646 1.00 0.00 O ATOM 0 H GLU A 78 -11.171 -5.176 6.313 1.00 0.00 H new ATOM 0 HA GLU A 78 -12.770 -6.372 5.240 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -13.975 -5.803 7.975 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -14.609 -7.016 6.880 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -12.053 -7.832 6.900 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -12.060 -7.013 8.449 1.00 0.00 H new ATOM 1236 N ALA A 79 -13.983 -4.048 4.384 1.00 0.00 N ATOM 1237 CA ALA A 79 -14.982 -3.244 3.692 1.00 0.00 C ATOM 1238 C ALA A 79 -15.135 -3.687 2.241 1.00 0.00 C ATOM 1239 O ALA A 79 -16.244 -3.945 1.773 1.00 0.00 O ATOM 1240 CB ALA A 79 -14.610 -1.769 3.758 1.00 0.00 C ATOM 0 H ALA A 79 -13.025 -3.892 4.071 1.00 0.00 H new ATOM 0 HA ALA A 79 -15.939 -3.390 4.192 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -15.365 -1.180 3.237 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -14.558 -1.453 4.800 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -13.640 -1.617 3.284 1.00 0.00 H new ATOM 1246 N LYS A 80 -14.014 -3.774 1.533 1.00 0.00 N ATOM 1247 CA LYS A 80 -14.023 -4.188 0.135 1.00 0.00 C ATOM 1248 C LYS A 80 -12.829 -5.086 -0.174 1.00 0.00 C ATOM 1249 O LYS A 80 -11.690 -4.763 0.168 1.00 0.00 O ATOM 1250 CB LYS A 80 -14.002 -2.962 -0.782 1.00 0.00 C ATOM 1251 CG LYS A 80 -13.915 -3.307 -2.258 1.00 0.00 C ATOM 1252 CD LYS A 80 -15.267 -3.722 -2.814 1.00 0.00 C ATOM 1253 CE LYS A 80 -15.352 -3.480 -4.313 1.00 0.00 C ATOM 1254 NZ LYS A 80 -16.763 -3.444 -4.790 1.00 0.00 N ATOM 0 H LYS A 80 -13.088 -3.563 1.904 1.00 0.00 H new ATOM 0 HA LYS A 80 -14.938 -4.753 -0.044 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -14.903 -2.373 -0.608 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -13.153 -2.333 -0.514 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -13.541 -2.446 -2.812 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -13.198 -4.115 -2.402 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -15.439 -4.778 -2.605 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -16.056 -3.164 -2.309 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -14.862 -2.537 -4.557 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -14.811 -4.266 -4.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -16.778 -3.277 -5.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -17.224 -4.352 -4.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -17.273 -2.677 -4.307 1.00 0.00 H new ATOM 1268 N LYS A 81 -13.095 -6.214 -0.823 1.00 0.00 N ATOM 1269 CA LYS A 81 -12.044 -7.158 -1.182 1.00 0.00 C ATOM 1270 C LYS A 81 -11.648 -7.003 -2.646 1.00 0.00 C ATOM 1271 O LYS A 81 -12.398 -6.442 -3.446 1.00 0.00 O ATOM 1272 CB LYS A 81 -12.506 -8.593 -0.916 1.00 0.00 C ATOM 1273 CG LYS A 81 -13.847 -8.926 -1.548 1.00 0.00 C ATOM 1274 CD LYS A 81 -14.223 -10.381 -1.323 1.00 0.00 C ATOM 1275 CE LYS A 81 -15.669 -10.650 -1.712 1.00 0.00 C ATOM 1276 NZ LYS A 81 -15.922 -12.100 -1.937 1.00 0.00 N ATOM 0 H LYS A 81 -14.031 -6.497 -1.112 1.00 0.00 H new ATOM 0 HA LYS A 81 -11.172 -6.943 -0.565 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -11.753 -9.284 -1.295 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -12.571 -8.751 0.160 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -14.619 -8.281 -1.128 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -13.807 -8.721 -2.618 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -13.563 -11.023 -1.906 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -14.073 -10.639 -0.275 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -16.330 -10.283 -0.927 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -15.911 -10.094 -2.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -16.918 -12.242 -2.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -15.309 -12.445 -2.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -15.716 -12.628 -1.065 1.00 0.00 H new ATOM 1290 N PHE A 82 -10.467 -7.504 -2.992 1.00 0.00 N ATOM 1291 CA PHE A 82 -9.972 -7.420 -4.361 1.00 0.00 C ATOM 1292 C PHE A 82 -9.172 -8.668 -4.727 1.00 0.00 C ATOM 1293 O PHE A 82 -8.686 -9.385 -3.853 1.00 0.00 O ATOM 1294 CB PHE A 82 -9.103 -6.174 -4.537 1.00 0.00 C ATOM 1295 CG PHE A 82 -9.894 -4.902 -4.641 1.00 0.00 C ATOM 1296 CD1 PHE A 82 -10.541 -4.567 -5.820 1.00 0.00 C ATOM 1297 CD2 PHE A 82 -9.990 -4.040 -3.562 1.00 0.00 C ATOM 1298 CE1 PHE A 82 -11.269 -3.397 -5.919 1.00 0.00 C ATOM 1299 CE2 PHE A 82 -10.717 -2.867 -3.654 1.00 0.00 C ATOM 1300 CZ PHE A 82 -11.359 -2.546 -4.834 1.00 0.00 C ATOM 0 H PHE A 82 -9.835 -7.973 -2.343 1.00 0.00 H new ATOM 0 HA PHE A 82 -10.831 -7.351 -5.028 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -8.416 -6.098 -3.694 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -8.495 -6.289 -5.434 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -10.475 -5.228 -6.671 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -9.491 -4.287 -2.637 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -11.768 -3.148 -6.844 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -10.783 -2.203 -2.805 1.00 0.00 H new ATOM 0 HZ PHE A 82 -11.930 -1.632 -4.909 1.00 0.00 H new ATOM 1310 N ASP A 83 -9.042 -8.919 -6.025 1.00 0.00 N ATOM 1311 CA ASP A 83 -8.301 -10.079 -6.509 1.00 0.00 C ATOM 1312 C ASP A 83 -6.887 -10.097 -5.937 1.00 0.00 C ATOM 1313 O ASP A 83 -6.281 -11.158 -5.787 1.00 0.00 O ATOM 1314 CB ASP A 83 -8.247 -10.075 -8.037 1.00 0.00 C ATOM 1315 CG ASP A 83 -9.523 -10.603 -8.662 1.00 0.00 C ATOM 1316 OD1 ASP A 83 -10.612 -10.315 -8.124 1.00 0.00 O ATOM 1317 OD2 ASP A 83 -9.433 -11.305 -9.692 1.00 0.00 O ATOM 0 H ASP A 83 -9.440 -8.335 -6.761 1.00 0.00 H new ATOM 0 HA ASP A 83 -8.820 -10.977 -6.175 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -8.067 -9.059 -8.389 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.405 -10.682 -8.370 1.00 0.00 H new ATOM 1322 N SER A 84 -6.367 -8.915 -5.621 1.00 0.00 N ATOM 1323 CA SER A 84 -5.021 -8.795 -5.072 1.00 0.00 C ATOM 1324 C SER A 84 -4.719 -7.350 -4.684 1.00 0.00 C ATOM 1325 O SER A 84 -5.585 -6.477 -4.774 1.00 0.00 O ATOM 1326 CB SER A 84 -3.987 -9.290 -6.085 1.00 0.00 C ATOM 1327 OG SER A 84 -3.760 -10.681 -5.944 1.00 0.00 O ATOM 0 H SER A 84 -6.857 -8.028 -5.736 1.00 0.00 H new ATOM 0 HA SER A 84 -4.965 -9.413 -4.176 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.333 -9.076 -7.096 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.050 -8.750 -5.947 1.00 0.00 H new ATOM 0 HG SER A 84 -4.612 -11.136 -5.776 1.00 0.00 H new ATOM 1333 N LEU A 85 -3.487 -7.105 -4.254 1.00 0.00 N ATOM 1334 CA LEU A 85 -3.070 -5.766 -3.852 1.00 0.00 C ATOM 1335 C LEU A 85 -3.133 -4.799 -5.030 1.00 0.00 C ATOM 1336 O LEU A 85 -3.650 -3.688 -4.909 1.00 0.00 O ATOM 1337 CB LEU A 85 -1.650 -5.802 -3.283 1.00 0.00 C ATOM 1338 CG LEU A 85 -0.998 -4.445 -3.017 1.00 0.00 C ATOM 1339 CD1 LEU A 85 -1.752 -3.694 -1.931 1.00 0.00 C ATOM 1340 CD2 LEU A 85 0.463 -4.621 -2.631 1.00 0.00 C ATOM 0 H LEU A 85 -2.759 -7.815 -4.175 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.756 -5.415 -3.081 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.669 -6.363 -2.348 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.017 -6.357 -3.975 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.042 -3.857 -3.934 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.273 -2.731 -1.755 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.783 -3.535 -2.247 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.741 -4.278 -1.010 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.910 -3.645 -2.446 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.530 -5.228 -1.728 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.997 -5.116 -3.442 1.00 0.00 H new ATOM 1352 N LEU A 86 -2.606 -5.230 -6.170 1.00 0.00 N ATOM 1353 CA LEU A 86 -2.603 -4.404 -7.372 1.00 0.00 C ATOM 1354 C LEU A 86 -3.976 -3.780 -7.607 1.00 0.00 C ATOM 1355 O LEU A 86 -4.104 -2.561 -7.712 1.00 0.00 O ATOM 1356 CB LEU A 86 -2.195 -5.238 -8.588 1.00 0.00 C ATOM 1357 CG LEU A 86 -2.156 -4.499 -9.927 1.00 0.00 C ATOM 1358 CD1 LEU A 86 -1.143 -3.366 -9.882 1.00 0.00 C ATOM 1359 CD2 LEU A 86 -1.830 -5.464 -11.058 1.00 0.00 C ATOM 0 H LEU A 86 -2.175 -6.147 -6.288 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.878 -3.602 -7.230 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.208 -5.659 -8.400 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.887 -6.075 -8.678 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.141 -4.071 -10.113 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.129 -2.852 -10.843 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.420 -2.662 -9.098 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.153 -3.771 -9.673 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.806 -4.922 -12.003 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.857 -5.921 -10.877 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.593 -6.241 -11.104 1.00 0.00 H new ATOM 1371 N GLU A 87 -4.998 -4.626 -7.686 1.00 0.00 N ATOM 1372 CA GLU A 87 -6.361 -4.156 -7.907 1.00 0.00 C ATOM 1373 C GLU A 87 -6.745 -3.099 -6.876 1.00 0.00 C ATOM 1374 O GLU A 87 -7.199 -2.009 -7.227 1.00 0.00 O ATOM 1375 CB GLU A 87 -7.344 -5.327 -7.844 1.00 0.00 C ATOM 1376 CG GLU A 87 -7.517 -6.049 -9.169 1.00 0.00 C ATOM 1377 CD GLU A 87 -8.805 -6.847 -9.236 1.00 0.00 C ATOM 1378 OE1 GLU A 87 -9.332 -7.213 -8.163 1.00 0.00 O ATOM 1379 OE2 GLU A 87 -9.287 -7.106 -10.358 1.00 0.00 O ATOM 0 H GLU A 87 -4.909 -5.638 -7.600 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.407 -3.705 -8.898 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -7.000 -6.039 -7.094 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.314 -4.958 -7.512 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.503 -5.321 -9.980 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.671 -6.718 -9.327 1.00 0.00 H new ATOM 1386 N LEU A 88 -6.563 -3.429 -5.602 1.00 0.00 N ATOM 1387 CA LEU A 88 -6.890 -2.509 -4.518 1.00 0.00 C ATOM 1388 C LEU A 88 -6.325 -1.120 -4.793 1.00 0.00 C ATOM 1389 O LEU A 88 -6.994 -0.111 -4.576 1.00 0.00 O ATOM 1390 CB LEU A 88 -6.347 -3.039 -3.191 1.00 0.00 C ATOM 1391 CG LEU A 88 -6.344 -2.052 -2.024 1.00 0.00 C ATOM 1392 CD1 LEU A 88 -6.484 -2.787 -0.700 1.00 0.00 C ATOM 1393 CD2 LEU A 88 -5.073 -1.215 -2.038 1.00 0.00 C ATOM 0 H LEU A 88 -6.191 -4.327 -5.294 1.00 0.00 H new ATOM 0 HA LEU A 88 -7.976 -2.433 -4.455 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -6.936 -3.910 -2.903 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.326 -3.384 -3.351 1.00 0.00 H new ATOM 0 HG LEU A 88 -7.198 -1.384 -2.137 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.480 -2.067 0.118 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -7.422 -3.342 -0.690 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -5.651 -3.479 -0.578 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.087 -0.518 -1.200 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.206 -1.869 -1.951 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.015 -0.658 -2.973 1.00 0.00 H new ATOM 1405 N VAL A 89 -5.087 -1.076 -5.276 1.00 0.00 N ATOM 1406 CA VAL A 89 -4.431 0.189 -5.585 1.00 0.00 C ATOM 1407 C VAL A 89 -5.075 0.862 -6.792 1.00 0.00 C ATOM 1408 O VAL A 89 -5.551 1.993 -6.703 1.00 0.00 O ATOM 1409 CB VAL A 89 -2.929 -0.010 -5.861 1.00 0.00 C ATOM 1410 CG1 VAL A 89 -2.261 1.323 -6.164 1.00 0.00 C ATOM 1411 CG2 VAL A 89 -2.257 -0.697 -4.683 1.00 0.00 C ATOM 0 H VAL A 89 -4.518 -1.902 -5.462 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.550 0.829 -4.711 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.820 -0.651 -6.736 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.200 1.163 -6.356 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.725 1.771 -7.042 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.378 1.991 -5.311 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.196 -0.829 -4.896 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.374 -0.084 -3.789 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -2.718 -1.671 -4.518 1.00 0.00 H new ATOM 1421 N GLU A 90 -5.085 0.158 -7.919 1.00 0.00 N ATOM 1422 CA GLU A 90 -5.670 0.687 -9.145 1.00 0.00 C ATOM 1423 C GLU A 90 -7.084 1.203 -8.895 1.00 0.00 C ATOM 1424 O GLU A 90 -7.565 2.093 -9.596 1.00 0.00 O ATOM 1425 CB GLU A 90 -5.693 -0.389 -10.232 1.00 0.00 C ATOM 1426 CG GLU A 90 -4.311 -0.800 -10.712 1.00 0.00 C ATOM 1427 CD GLU A 90 -4.361 -1.725 -11.912 1.00 0.00 C ATOM 1428 OE1 GLU A 90 -4.451 -2.955 -11.712 1.00 0.00 O ATOM 1429 OE2 GLU A 90 -4.310 -1.218 -13.053 1.00 0.00 O ATOM 0 H GLU A 90 -4.695 -0.780 -8.008 1.00 0.00 H new ATOM 0 HA GLU A 90 -5.052 1.520 -9.481 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.212 -1.268 -9.850 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -6.269 -0.023 -11.082 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -3.740 0.092 -10.969 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -3.780 -1.295 -9.899 1.00 0.00 H new ATOM 1436 N TYR A 91 -7.744 0.636 -7.890 1.00 0.00 N ATOM 1437 CA TYR A 91 -9.104 1.036 -7.548 1.00 0.00 C ATOM 1438 C TYR A 91 -9.125 2.438 -6.946 1.00 0.00 C ATOM 1439 O TYR A 91 -9.923 3.285 -7.346 1.00 0.00 O ATOM 1440 CB TYR A 91 -9.719 0.038 -6.566 1.00 0.00 C ATOM 1441 CG TYR A 91 -11.229 0.090 -6.515 1.00 0.00 C ATOM 1442 CD1 TYR A 91 -11.997 -0.425 -7.552 1.00 0.00 C ATOM 1443 CD2 TYR A 91 -11.889 0.655 -5.430 1.00 0.00 C ATOM 1444 CE1 TYR A 91 -13.377 -0.379 -7.511 1.00 0.00 C ATOM 1445 CE2 TYR A 91 -13.268 0.704 -5.380 1.00 0.00 C ATOM 1446 CZ TYR A 91 -14.008 0.186 -6.423 1.00 0.00 C ATOM 1447 OH TYR A 91 -15.382 0.234 -6.376 1.00 0.00 O ATOM 0 H TYR A 91 -7.359 -0.101 -7.299 1.00 0.00 H new ATOM 0 HA TYR A 91 -9.694 1.045 -8.464 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -9.408 -0.969 -6.842 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -9.323 0.232 -5.569 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -11.506 -0.869 -8.405 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -11.313 1.063 -4.612 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -13.958 -0.783 -8.326 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -13.765 1.146 -4.529 1.00 0.00 H new ATOM 0 HH TYR A 91 -15.666 0.662 -5.542 1.00 0.00 H new ATOM 1457 N TYR A 92 -8.240 2.674 -5.984 1.00 0.00 N ATOM 1458 CA TYR A 92 -8.158 3.972 -5.324 1.00 0.00 C ATOM 1459 C TYR A 92 -7.437 4.987 -6.207 1.00 0.00 C ATOM 1460 O TYR A 92 -7.556 6.195 -6.006 1.00 0.00 O ATOM 1461 CB TYR A 92 -7.433 3.841 -3.984 1.00 0.00 C ATOM 1462 CG TYR A 92 -8.063 2.832 -3.051 1.00 0.00 C ATOM 1463 CD1 TYR A 92 -9.441 2.774 -2.885 1.00 0.00 C ATOM 1464 CD2 TYR A 92 -7.280 1.934 -2.336 1.00 0.00 C ATOM 1465 CE1 TYR A 92 -10.021 1.853 -2.034 1.00 0.00 C ATOM 1466 CE2 TYR A 92 -7.851 1.009 -1.483 1.00 0.00 C ATOM 1467 CZ TYR A 92 -9.221 0.973 -1.335 1.00 0.00 C ATOM 1468 OH TYR A 92 -9.795 0.054 -0.487 1.00 0.00 O ATOM 0 H TYR A 92 -7.570 1.984 -5.644 1.00 0.00 H new ATOM 0 HA TYR A 92 -9.174 4.326 -5.147 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -6.397 3.556 -4.167 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -7.414 4.814 -3.494 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -10.070 3.461 -3.431 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -6.206 1.959 -2.449 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -11.094 1.822 -1.917 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -7.227 0.318 -0.935 1.00 0.00 H new ATOM 0 HH TYR A 92 -9.138 -0.637 -0.260 1.00 0.00 H new ATOM 1478 N GLN A 93 -6.691 4.485 -7.186 1.00 0.00 N ATOM 1479 CA GLN A 93 -5.952 5.347 -8.101 1.00 0.00 C ATOM 1480 C GLN A 93 -6.896 6.271 -8.862 1.00 0.00 C ATOM 1481 O GLN A 93 -6.484 7.317 -9.366 1.00 0.00 O ATOM 1482 CB GLN A 93 -5.140 4.504 -9.086 1.00 0.00 C ATOM 1483 CG GLN A 93 -3.808 4.029 -8.527 1.00 0.00 C ATOM 1484 CD GLN A 93 -2.784 3.756 -9.612 1.00 0.00 C ATOM 1485 OE1 GLN A 93 -2.897 4.261 -10.729 1.00 0.00 O ATOM 1486 NE2 GLN A 93 -1.778 2.953 -9.288 1.00 0.00 N ATOM 0 H GLN A 93 -6.582 3.487 -7.366 1.00 0.00 H new ATOM 0 HA GLN A 93 -5.271 5.960 -7.511 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -5.730 3.637 -9.382 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -4.958 5.089 -9.988 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -3.416 4.782 -7.844 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -3.966 3.121 -7.945 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -1.724 2.556 -8.350 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -1.059 2.733 -9.977 1.00 0.00 H new ATOM 1495 N CYS A 94 -8.162 5.879 -8.941 1.00 0.00 N ATOM 1496 CA CYS A 94 -9.166 6.671 -9.644 1.00 0.00 C ATOM 1497 C CYS A 94 -10.352 6.975 -8.734 1.00 0.00 C ATOM 1498 O CYS A 94 -11.053 7.970 -8.921 1.00 0.00 O ATOM 1499 CB CYS A 94 -9.642 5.935 -10.896 1.00 0.00 C ATOM 1500 SG CYS A 94 -10.220 7.026 -12.218 1.00 0.00 S ATOM 0 H CYS A 94 -8.519 5.018 -8.527 1.00 0.00 H new ATOM 0 HA CYS A 94 -8.708 7.614 -9.940 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -8.825 5.322 -11.277 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -10.449 5.256 -10.621 1.00 0.00 H new ATOM 0 HG CYS A 94 -10.600 6.311 -13.235 1.00 0.00 H new ATOM 1506 N HIS A 95 -10.573 6.109 -7.750 1.00 0.00 N ATOM 1507 CA HIS A 95 -11.676 6.283 -6.811 1.00 0.00 C ATOM 1508 C HIS A 95 -11.167 6.778 -5.461 1.00 0.00 C ATOM 1509 O HIS A 95 -10.214 6.230 -4.907 1.00 0.00 O ATOM 1510 CB HIS A 95 -12.435 4.968 -6.633 1.00 0.00 C ATOM 1511 CG HIS A 95 -12.465 4.121 -7.869 1.00 0.00 C ATOM 1512 ND1 HIS A 95 -12.321 2.751 -7.845 1.00 0.00 N ATOM 1513 CD2 HIS A 95 -12.626 4.460 -9.170 1.00 0.00 C ATOM 1514 CE1 HIS A 95 -12.390 2.282 -9.078 1.00 0.00 C ATOM 1515 NE2 HIS A 95 -12.576 3.298 -9.901 1.00 0.00 N ATOM 0 H HIS A 95 -10.003 5.280 -7.582 1.00 0.00 H new ATOM 0 HA HIS A 95 -12.354 7.032 -7.220 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -11.976 4.400 -5.824 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -13.458 5.187 -6.328 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -12.183 2.187 -7.006 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -12.767 5.457 -9.560 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -12.308 1.244 -9.364 1.00 0.00 H new ATOM 1524 N SER A 96 -11.808 7.818 -4.937 1.00 0.00 N ATOM 1525 CA SER A 96 -11.418 8.389 -3.653 1.00 0.00 C ATOM 1526 C SER A 96 -11.437 7.327 -2.558 1.00 0.00 C ATOM 1527 O SER A 96 -12.180 6.348 -2.639 1.00 0.00 O ATOM 1528 CB SER A 96 -12.352 9.542 -3.278 1.00 0.00 C ATOM 1529 OG SER A 96 -11.994 10.101 -2.027 1.00 0.00 O ATOM 0 H SER A 96 -12.600 8.282 -5.382 1.00 0.00 H new ATOM 0 HA SER A 96 -10.401 8.771 -3.747 1.00 0.00 H new ATOM 0 HB2 SER A 96 -12.312 10.312 -4.049 1.00 0.00 H new ATOM 0 HB3 SER A 96 -13.380 9.183 -3.239 1.00 0.00 H new ATOM 0 HG SER A 96 -12.604 10.837 -1.811 1.00 0.00 H new ATOM 1535 N LEU A 97 -10.616 7.528 -1.534 1.00 0.00 N ATOM 1536 CA LEU A 97 -10.537 6.589 -0.420 1.00 0.00 C ATOM 1537 C LEU A 97 -11.643 6.857 0.597 1.00 0.00 C ATOM 1538 O LEU A 97 -11.638 6.301 1.696 1.00 0.00 O ATOM 1539 CB LEU A 97 -9.169 6.686 0.259 1.00 0.00 C ATOM 1540 CG LEU A 97 -8.069 5.795 -0.317 1.00 0.00 C ATOM 1541 CD1 LEU A 97 -6.697 6.314 0.082 1.00 0.00 C ATOM 1542 CD2 LEU A 97 -8.252 4.356 0.145 1.00 0.00 C ATOM 0 H LEU A 97 -9.995 8.333 -1.451 1.00 0.00 H new ATOM 0 HA LEU A 97 -10.668 5.582 -0.816 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -8.833 7.722 0.209 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -9.291 6.442 1.314 1.00 0.00 H new ATOM 0 HG LEU A 97 -8.141 5.819 -1.404 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -5.927 5.667 -0.337 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -6.566 7.327 -0.299 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -6.613 6.321 1.169 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -7.460 3.736 -0.275 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -8.207 4.315 1.233 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -9.220 3.986 -0.192 1.00 0.00 H new ATOM 1554 N LYS A 98 -12.590 7.709 0.223 1.00 0.00 N ATOM 1555 CA LYS A 98 -13.704 8.049 1.099 1.00 0.00 C ATOM 1556 C LYS A 98 -14.590 6.832 1.348 1.00 0.00 C ATOM 1557 O LYS A 98 -15.164 6.682 2.426 1.00 0.00 O ATOM 1558 CB LYS A 98 -14.534 9.181 0.489 1.00 0.00 C ATOM 1559 CG LYS A 98 -15.612 8.697 -0.465 1.00 0.00 C ATOM 1560 CD LYS A 98 -16.389 9.859 -1.063 1.00 0.00 C ATOM 1561 CE LYS A 98 -16.974 9.499 -2.421 1.00 0.00 C ATOM 1562 NZ LYS A 98 -17.592 10.677 -3.088 1.00 0.00 N ATOM 0 H LYS A 98 -12.608 8.178 -0.683 1.00 0.00 H new ATOM 0 HA LYS A 98 -13.295 8.381 2.053 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -15.000 9.752 1.292 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -13.869 9.862 -0.042 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -15.156 8.113 -1.264 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -16.297 8.034 0.064 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -17.192 10.148 -0.385 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -15.732 10.723 -1.166 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -16.189 9.091 -3.058 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -17.723 8.717 -2.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -17.979 10.391 -4.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -18.358 11.051 -2.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -16.872 11.414 -3.229 1.00 0.00 H new ATOM 1576 N GLU A 99 -14.694 5.965 0.345 1.00 0.00 N ATOM 1577 CA GLU A 99 -15.510 4.762 0.457 1.00 0.00 C ATOM 1578 C GLU A 99 -15.202 4.016 1.753 1.00 0.00 C ATOM 1579 O GLU A 99 -16.111 3.631 2.490 1.00 0.00 O ATOM 1580 CB GLU A 99 -15.270 3.843 -0.743 1.00 0.00 C ATOM 1581 CG GLU A 99 -15.725 4.438 -2.065 1.00 0.00 C ATOM 1582 CD GLU A 99 -16.163 3.381 -3.060 1.00 0.00 C ATOM 1583 OE1 GLU A 99 -15.551 2.293 -3.078 1.00 0.00 O ATOM 1584 OE2 GLU A 99 -17.118 3.642 -3.820 1.00 0.00 O ATOM 0 H GLU A 99 -14.224 6.074 -0.553 1.00 0.00 H new ATOM 0 HA GLU A 99 -16.557 5.063 0.471 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -14.207 3.611 -0.805 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -15.793 2.901 -0.579 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -16.551 5.126 -1.884 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -14.912 5.022 -2.495 1.00 0.00 H new ATOM 1591 N SER A 100 -13.917 3.815 2.023 1.00 0.00 N ATOM 1592 CA SER A 100 -13.489 3.111 3.227 1.00 0.00 C ATOM 1593 C SER A 100 -13.410 4.066 4.415 1.00 0.00 C ATOM 1594 O SER A 100 -13.971 3.800 5.477 1.00 0.00 O ATOM 1595 CB SER A 100 -12.130 2.448 2.999 1.00 0.00 C ATOM 1596 OG SER A 100 -12.193 1.506 1.944 1.00 0.00 O ATOM 0 H SER A 100 -13.153 4.129 1.425 1.00 0.00 H new ATOM 0 HA SER A 100 -14.227 2.341 3.451 1.00 0.00 H new ATOM 0 HB2 SER A 100 -11.385 3.209 2.767 1.00 0.00 H new ATOM 0 HB3 SER A 100 -11.805 1.953 3.914 1.00 0.00 H new ATOM 0 HG SER A 100 -11.463 1.673 1.312 1.00 0.00 H new ATOM 1602 N PHE A 101 -12.708 5.178 4.226 1.00 0.00 N ATOM 1603 CA PHE A 101 -12.553 6.173 5.281 1.00 0.00 C ATOM 1604 C PHE A 101 -13.169 7.505 4.867 1.00 0.00 C ATOM 1605 O PHE A 101 -12.566 8.278 4.122 1.00 0.00 O ATOM 1606 CB PHE A 101 -11.072 6.365 5.617 1.00 0.00 C ATOM 1607 CG PHE A 101 -10.407 5.118 6.126 1.00 0.00 C ATOM 1608 CD1 PHE A 101 -10.668 4.649 7.403 1.00 0.00 C ATOM 1609 CD2 PHE A 101 -9.520 4.415 5.325 1.00 0.00 C ATOM 1610 CE1 PHE A 101 -10.056 3.503 7.874 1.00 0.00 C ATOM 1611 CE2 PHE A 101 -8.905 3.268 5.791 1.00 0.00 C ATOM 1612 CZ PHE A 101 -9.174 2.810 7.065 1.00 0.00 C ATOM 0 H PHE A 101 -12.237 5.413 3.352 1.00 0.00 H new ATOM 0 HA PHE A 101 -13.075 5.811 6.167 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -10.547 6.709 4.726 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -10.976 7.150 6.367 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -11.358 5.185 8.038 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -9.307 4.767 4.326 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -10.266 3.149 8.872 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -8.214 2.730 5.158 1.00 0.00 H new ATOM 0 HZ PHE A 101 -8.697 1.912 7.429 1.00 0.00 H new ATOM 1622 N LYS A 102 -14.376 7.770 5.355 1.00 0.00 N ATOM 1623 CA LYS A 102 -15.076 9.009 5.038 1.00 0.00 C ATOM 1624 C LYS A 102 -14.222 10.223 5.392 1.00 0.00 C ATOM 1625 O LYS A 102 -14.429 11.313 4.862 1.00 0.00 O ATOM 1626 CB LYS A 102 -16.409 9.072 5.789 1.00 0.00 C ATOM 1627 CG LYS A 102 -16.277 8.826 7.282 1.00 0.00 C ATOM 1628 CD LYS A 102 -17.504 9.311 8.037 1.00 0.00 C ATOM 1629 CE LYS A 102 -17.405 10.792 8.367 1.00 0.00 C ATOM 1630 NZ LYS A 102 -18.705 11.343 8.840 1.00 0.00 N ATOM 0 H LYS A 102 -14.890 7.142 5.973 1.00 0.00 H new ATOM 0 HA LYS A 102 -15.269 9.024 3.965 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -16.861 10.051 5.629 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -17.090 8.333 5.366 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -16.133 7.761 7.465 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -15.391 9.337 7.659 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -18.396 9.129 7.438 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -17.616 8.739 8.958 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -16.646 10.943 9.134 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -17.078 11.340 7.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -18.596 12.355 9.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -19.424 11.222 8.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -19.005 10.838 9.698 1.00 0.00 H new ATOM 1644 N GLN A 103 -13.263 10.023 6.291 1.00 0.00 N ATOM 1645 CA GLN A 103 -12.378 11.102 6.714 1.00 0.00 C ATOM 1646 C GLN A 103 -11.256 11.313 5.703 1.00 0.00 C ATOM 1647 O GLN A 103 -10.672 12.395 5.624 1.00 0.00 O ATOM 1648 CB GLN A 103 -11.789 10.796 8.092 1.00 0.00 C ATOM 1649 CG GLN A 103 -11.468 9.326 8.304 1.00 0.00 C ATOM 1650 CD GLN A 103 -10.521 9.096 9.465 1.00 0.00 C ATOM 1651 OE1 GLN A 103 -10.857 8.405 10.427 1.00 0.00 O ATOM 1652 NE2 GLN A 103 -9.329 9.675 9.381 1.00 0.00 N ATOM 0 H GLN A 103 -13.079 9.125 6.740 1.00 0.00 H new ATOM 0 HA GLN A 103 -12.965 12.018 6.774 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -10.879 11.381 8.227 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -12.493 11.120 8.859 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -12.393 8.778 8.481 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -11.026 8.920 7.394 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -9.093 10.239 8.565 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -8.650 9.555 10.132 1.00 0.00 H new ATOM 1661 N LEU A 104 -10.957 10.273 4.933 1.00 0.00 N ATOM 1662 CA LEU A 104 -9.902 10.343 3.928 1.00 0.00 C ATOM 1663 C LEU A 104 -10.493 10.375 2.521 1.00 0.00 C ATOM 1664 O LEU A 104 -10.902 9.344 1.985 1.00 0.00 O ATOM 1665 CB LEU A 104 -8.955 9.150 4.068 1.00 0.00 C ATOM 1666 CG LEU A 104 -7.513 9.381 3.613 1.00 0.00 C ATOM 1667 CD1 LEU A 104 -6.667 9.899 4.766 1.00 0.00 C ATOM 1668 CD2 LEU A 104 -6.920 8.098 3.049 1.00 0.00 C ATOM 0 H LEU A 104 -11.430 9.371 4.985 1.00 0.00 H new ATOM 0 HA LEU A 104 -9.341 11.264 4.089 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.940 8.844 5.114 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.366 8.317 3.498 1.00 0.00 H new ATOM 0 HG LEU A 104 -7.517 10.133 2.824 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.644 10.058 4.424 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -7.080 10.842 5.125 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -6.670 9.169 5.576 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.894 8.281 2.730 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.929 7.325 3.817 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.512 7.768 2.195 1.00 0.00 H new ATOM 1680 N ASP A 105 -10.531 11.563 1.928 1.00 0.00 N ATOM 1681 CA ASP A 105 -11.069 11.729 0.583 1.00 0.00 C ATOM 1682 C ASP A 105 -9.974 12.153 -0.391 1.00 0.00 C ATOM 1683 O ASP A 105 -9.677 13.341 -0.530 1.00 0.00 O ATOM 1684 CB ASP A 105 -12.196 12.763 0.585 1.00 0.00 C ATOM 1685 CG ASP A 105 -13.523 12.172 1.020 1.00 0.00 C ATOM 1686 OD1 ASP A 105 -13.521 11.316 1.929 1.00 0.00 O ATOM 1687 OD2 ASP A 105 -14.561 12.567 0.453 1.00 0.00 O ATOM 0 H ASP A 105 -10.196 12.425 2.357 1.00 0.00 H new ATOM 0 HA ASP A 105 -11.469 10.769 0.257 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -11.931 13.584 1.252 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -12.300 13.185 -0.415 1.00 0.00 H new ATOM 1692 N THR A 106 -9.374 11.176 -1.063 1.00 0.00 N ATOM 1693 CA THR A 106 -8.311 11.447 -2.021 1.00 0.00 C ATOM 1694 C THR A 106 -8.023 10.224 -2.885 1.00 0.00 C ATOM 1695 O THR A 106 -8.474 9.118 -2.584 1.00 0.00 O ATOM 1696 CB THR A 106 -7.011 11.877 -1.313 1.00 0.00 C ATOM 1697 OG1 THR A 106 -6.066 12.361 -2.273 1.00 0.00 O ATOM 1698 CG2 THR A 106 -6.407 10.714 -0.539 1.00 0.00 C ATOM 0 H THR A 106 -9.607 10.188 -0.961 1.00 0.00 H new ATOM 0 HA THR A 106 -8.659 12.263 -2.654 1.00 0.00 H new ATOM 0 HB THR A 106 -7.253 12.674 -0.610 1.00 0.00 H new ATOM 0 HG1 THR A 106 -5.244 12.633 -1.814 1.00 0.00 H new ATOM 0 HG21 THR A 106 -5.491 11.041 -0.048 1.00 0.00 H new ATOM 0 HG22 THR A 106 -7.118 10.368 0.212 1.00 0.00 H new ATOM 0 HG23 THR A 106 -6.180 9.899 -1.226 1.00 0.00 H new ATOM 1706 N THR A 107 -7.271 10.429 -3.962 1.00 0.00 N ATOM 1707 CA THR A 107 -6.925 9.344 -4.870 1.00 0.00 C ATOM 1708 C THR A 107 -5.437 9.359 -5.203 1.00 0.00 C ATOM 1709 O THR A 107 -4.878 10.401 -5.551 1.00 0.00 O ATOM 1710 CB THR A 107 -7.732 9.426 -6.179 1.00 0.00 C ATOM 1711 OG1 THR A 107 -7.617 10.737 -6.745 1.00 0.00 O ATOM 1712 CG2 THR A 107 -9.199 9.105 -5.931 1.00 0.00 C ATOM 0 H THR A 107 -6.890 11.338 -4.226 1.00 0.00 H new ATOM 0 HA THR A 107 -7.172 8.414 -4.358 1.00 0.00 H new ATOM 0 HB THR A 107 -7.327 8.692 -6.876 1.00 0.00 H new ATOM 0 HG1 THR A 107 -6.684 11.034 -6.696 1.00 0.00 H new ATOM 0 HG21 THR A 107 -9.749 9.169 -6.870 1.00 0.00 H new ATOM 0 HG22 THR A 107 -9.288 8.097 -5.527 1.00 0.00 H new ATOM 0 HG23 THR A 107 -9.612 9.819 -5.219 1.00 0.00 H new ATOM 1720 N LEU A 108 -4.799 8.199 -5.095 1.00 0.00 N ATOM 1721 CA LEU A 108 -3.375 8.078 -5.387 1.00 0.00 C ATOM 1722 C LEU A 108 -3.000 8.892 -6.621 1.00 0.00 C ATOM 1723 O LEU A 108 -3.257 8.479 -7.752 1.00 0.00 O ATOM 1724 CB LEU A 108 -2.999 6.610 -5.596 1.00 0.00 C ATOM 1725 CG LEU A 108 -3.573 5.619 -4.583 1.00 0.00 C ATOM 1726 CD1 LEU A 108 -2.957 4.243 -4.775 1.00 0.00 C ATOM 1727 CD2 LEU A 108 -3.343 6.116 -3.162 1.00 0.00 C ATOM 0 H LEU A 108 -5.246 7.328 -4.807 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.821 8.470 -4.534 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -3.325 6.311 -6.592 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -1.912 6.528 -5.578 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.647 5.539 -4.749 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.378 3.551 -4.045 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -3.173 3.885 -5.781 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -1.878 4.305 -4.636 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.758 5.399 -2.454 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.273 6.225 -2.983 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -3.833 7.081 -3.030 1.00 0.00 H new ATOM 1739 N LYS A 109 -2.391 10.051 -6.397 1.00 0.00 N ATOM 1740 CA LYS A 109 -1.976 10.922 -7.490 1.00 0.00 C ATOM 1741 C LYS A 109 -0.548 10.609 -7.925 1.00 0.00 C ATOM 1742 O LYS A 109 -0.326 10.004 -8.973 1.00 0.00 O ATOM 1743 CB LYS A 109 -2.083 12.390 -7.069 1.00 0.00 C ATOM 1744 CG LYS A 109 -3.437 13.011 -7.369 1.00 0.00 C ATOM 1745 CD LYS A 109 -3.649 14.292 -6.579 1.00 0.00 C ATOM 1746 CE LYS A 109 -4.297 14.015 -5.231 1.00 0.00 C ATOM 1747 NZ LYS A 109 -4.733 15.269 -4.557 1.00 0.00 N ATOM 0 H LYS A 109 -2.174 10.409 -5.467 1.00 0.00 H new ATOM 0 HA LYS A 109 -2.641 10.743 -8.335 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -1.885 12.468 -6.000 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -1.309 12.963 -7.579 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -3.513 13.223 -8.435 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -4.226 12.299 -7.129 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -2.691 14.790 -6.428 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -4.277 14.975 -7.152 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -5.157 13.359 -5.369 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -3.592 13.485 -4.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -5.169 15.038 -3.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -3.909 15.884 -4.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -5.426 15.762 -5.156 1.00 0.00 H new ATOM 1761 N TYR A 110 0.417 11.025 -7.111 1.00 0.00 N ATOM 1762 CA TYR A 110 1.824 10.790 -7.411 1.00 0.00 C ATOM 1763 C TYR A 110 2.430 9.787 -6.434 1.00 0.00 C ATOM 1764 O TYR A 110 2.021 9.684 -5.278 1.00 0.00 O ATOM 1765 CB TYR A 110 2.604 12.105 -7.358 1.00 0.00 C ATOM 1766 CG TYR A 110 1.818 13.297 -7.855 1.00 0.00 C ATOM 1767 CD1 TYR A 110 1.006 14.025 -6.995 1.00 0.00 C ATOM 1768 CD2 TYR A 110 1.886 13.694 -9.185 1.00 0.00 C ATOM 1769 CE1 TYR A 110 0.285 15.115 -7.444 1.00 0.00 C ATOM 1770 CE2 TYR A 110 1.170 14.782 -9.643 1.00 0.00 C ATOM 1771 CZ TYR A 110 0.370 15.489 -8.769 1.00 0.00 C ATOM 1772 OH TYR A 110 -0.346 16.574 -9.221 1.00 0.00 O ATOM 0 H TYR A 110 0.250 11.526 -6.239 1.00 0.00 H new ATOM 0 HA TYR A 110 1.890 10.375 -8.417 1.00 0.00 H new ATOM 0 HB2 TYR A 110 2.918 12.290 -6.331 1.00 0.00 H new ATOM 0 HB3 TYR A 110 3.511 12.004 -7.955 1.00 0.00 H new ATOM 0 HD1 TYR A 110 0.937 13.734 -5.957 1.00 0.00 H new ATOM 0 HD2 TYR A 110 2.510 13.142 -9.872 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -0.341 15.671 -6.762 1.00 0.00 H new ATOM 0 HE2 TYR A 110 1.236 15.078 -10.680 1.00 0.00 H new ATOM 0 HH TYR A 110 -0.174 16.704 -10.177 1.00 0.00 H new ATOM 1782 N PRO A 111 3.428 9.028 -6.911 1.00 0.00 N ATOM 1783 CA PRO A 111 4.114 8.020 -6.098 1.00 0.00 C ATOM 1784 C PRO A 111 4.976 8.643 -5.006 1.00 0.00 C ATOM 1785 O PRO A 111 4.827 9.822 -4.681 1.00 0.00 O ATOM 1786 CB PRO A 111 4.988 7.280 -7.112 1.00 0.00 C ATOM 1787 CG PRO A 111 5.216 8.265 -8.206 1.00 0.00 C ATOM 1788 CD PRO A 111 3.966 9.098 -8.280 1.00 0.00 C ATOM 0 HA PRO A 111 3.411 7.376 -5.571 1.00 0.00 H new ATOM 0 HB2 PRO A 111 5.929 6.960 -6.665 1.00 0.00 H new ATOM 0 HB3 PRO A 111 4.491 6.384 -7.483 1.00 0.00 H new ATOM 0 HG2 PRO A 111 6.087 8.886 -7.997 1.00 0.00 H new ATOM 0 HG3 PRO A 111 5.405 7.760 -9.153 1.00 0.00 H new ATOM 0 HD2 PRO A 111 4.184 10.125 -8.574 1.00 0.00 H new ATOM 0 HD3 PRO A 111 3.261 8.700 -9.010 1.00 0.00 H new ATOM 1796 N TYR A 112 5.880 7.847 -4.445 1.00 0.00 N ATOM 1797 CA TYR A 112 6.765 8.322 -3.388 1.00 0.00 C ATOM 1798 C TYR A 112 8.058 8.885 -3.973 1.00 0.00 C ATOM 1799 O TYR A 112 8.271 8.848 -5.185 1.00 0.00 O ATOM 1800 CB TYR A 112 7.086 7.187 -2.414 1.00 0.00 C ATOM 1801 CG TYR A 112 8.318 6.395 -2.790 1.00 0.00 C ATOM 1802 CD1 TYR A 112 8.305 5.524 -3.873 1.00 0.00 C ATOM 1803 CD2 TYR A 112 9.495 6.518 -2.062 1.00 0.00 C ATOM 1804 CE1 TYR A 112 9.428 4.798 -4.219 1.00 0.00 C ATOM 1805 CE2 TYR A 112 10.623 5.797 -2.403 1.00 0.00 C ATOM 1806 CZ TYR A 112 10.585 4.939 -3.482 1.00 0.00 C ATOM 1807 OH TYR A 112 11.707 4.219 -3.823 1.00 0.00 O ATOM 0 H TYR A 112 6.019 6.870 -4.705 1.00 0.00 H new ATOM 0 HA TYR A 112 6.252 9.119 -2.850 1.00 0.00 H new ATOM 0 HB2 TYR A 112 7.223 7.604 -1.416 1.00 0.00 H new ATOM 0 HB3 TYR A 112 6.232 6.512 -2.363 1.00 0.00 H new ATOM 0 HD1 TYR A 112 7.401 5.413 -4.454 1.00 0.00 H new ATOM 0 HD2 TYR A 112 9.529 7.188 -1.216 1.00 0.00 H new ATOM 0 HE1 TYR A 112 9.400 4.124 -5.062 1.00 0.00 H new ATOM 0 HE2 TYR A 112 11.530 5.905 -1.827 1.00 0.00 H new ATOM 0 HH TYR A 112 12.435 4.435 -3.204 1.00 0.00 H new ATOM 1817 N SER A 113 8.917 9.404 -3.102 1.00 0.00 N ATOM 1818 CA SER A 113 10.187 9.978 -3.530 1.00 0.00 C ATOM 1819 C SER A 113 11.095 8.905 -4.123 1.00 0.00 C ATOM 1820 O SER A 113 12.008 8.413 -3.462 1.00 0.00 O ATOM 1821 CB SER A 113 10.885 10.659 -2.352 1.00 0.00 C ATOM 1822 OG SER A 113 11.035 9.766 -1.261 1.00 0.00 O ATOM 0 H SER A 113 8.757 9.439 -2.095 1.00 0.00 H new ATOM 0 HA SER A 113 9.981 10.721 -4.300 1.00 0.00 H new ATOM 0 HB2 SER A 113 11.864 11.022 -2.666 1.00 0.00 H new ATOM 0 HB3 SER A 113 10.308 11.529 -2.037 1.00 0.00 H new ATOM 0 HG SER A 113 11.374 8.906 -1.586 1.00 0.00 H new