USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 697 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 73 ASN : amide:sc= 0.88 X(o=1.6,f=1.9) USER MOD Set 1.2: A 94 TYR OH : rot -110:sc= 0.673 USER MOD Single : A 5 THR OG1 : rot 161:sc= 1.23 USER MOD Single : A 7 LYS NZ :NH3+ -111:sc= 1.98 (180deg=-0.292) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -170:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -11.5! C(o=-12!,f=-15!) USER MOD Single : A 20 ASN : amide:sc= -2.22! C(o=-2.2!,f=-2.6!) USER MOD Single : A 21 LYS NZ :NH3+ -125:sc= 1.29 (180deg=0.141) USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.291 USER MOD Single : A 25 LYS NZ :NH3+ -130:sc= 1.14 (180deg=0.574) USER MOD Single : A 27 SER OG : rot 80:sc= -1.22 USER MOD Single : A 28 SER OG : rot -2:sc= 0.348 USER MOD Single : A 29 ASN : amide:sc= -0.165 K(o=-0.16,f=-2.3) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.0065) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 20:sc=-0.00707 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 3:sc= 0.525 USER MOD Single : A 59 MET CE :methyl 148:sc= -1.17 (180deg=-2.86!) USER MOD Single : A 62 ASN : amide:sc= -0.0485 X(o=-0.048,f=-0.34) USER MOD Single : A 63 LYS NZ :NH3+ 164:sc= -0.0603 (180deg=-0.367) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.875) USER MOD Single : A 75 LYS NZ :NH3+ -102:sc= 2.4 (180deg=-0.00759) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -0.0221 X(o=-0.022,f=-0.026) USER MOD Single : A 90 GLN : amide:sc= -0.711 K(o=-0.71,f=-4.9!) USER MOD Single : A 91 THR OG1 : rot 106:sc= 1.04 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ -160:sc= -0.0345 (180deg=-0.33) USER MOD Single : A 104 LYS NZ :NH3+ -164:sc= 1.19 (180deg=0.933) USER MOD Single : A 105 LYS NZ :NH3+ -167:sc= -0.0304 (180deg=-0.204) USER MOD ----------------------------------------------------------------- ATOM 43 N GLY A 4 4.193 -5.515 9.693 1.00 0.00 N ATOM 44 CA GLY A 4 5.555 -5.396 10.275 1.00 0.00 C ATOM 45 C GLY A 4 6.160 -4.027 9.968 1.00 0.00 C ATOM 46 O GLY A 4 5.507 -3.239 9.376 1.00 0.00 O ATOM 0 HA2 GLY A 4 5.508 -5.544 11.354 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.197 -6.180 9.873 1.00 0.00 H new ATOM 50 N THR A 5 7.259 -3.604 10.535 1.00 0.00 N ATOM 51 CA THR A 5 7.607 -2.189 10.333 1.00 0.00 C ATOM 52 C THR A 5 8.738 -1.935 9.303 1.00 0.00 C ATOM 53 O THR A 5 9.904 -2.242 9.558 1.00 0.00 O ATOM 54 CB THR A 5 7.958 -1.522 11.677 1.00 0.00 C ATOM 55 OG1 THR A 5 8.731 -2.419 12.487 1.00 0.00 O ATOM 56 CG2 THR A 5 6.693 -1.117 12.423 1.00 0.00 C ATOM 0 H THR A 5 7.900 -4.158 11.104 1.00 0.00 H new ATOM 0 HA THR A 5 6.713 -1.736 9.905 1.00 0.00 H new ATOM 0 HB THR A 5 8.545 -0.627 11.471 1.00 0.00 H new ATOM 0 HG1 THR A 5 9.202 -1.911 13.180 1.00 0.00 H new ATOM 0 HG21 THR A 5 6.963 -0.648 13.369 1.00 0.00 H new ATOM 0 HG22 THR A 5 6.124 -0.412 11.818 1.00 0.00 H new ATOM 0 HG23 THR A 5 6.086 -2.001 12.617 1.00 0.00 H new ATOM 64 N TRP A 6 8.409 -1.138 8.266 1.00 0.00 N ATOM 65 CA TRP A 6 9.431 -0.528 7.380 1.00 0.00 C ATOM 66 C TRP A 6 9.100 0.951 7.216 1.00 0.00 C ATOM 67 O TRP A 6 8.129 1.270 6.540 1.00 0.00 O ATOM 68 CB TRP A 6 9.489 -1.066 5.925 1.00 0.00 C ATOM 69 CG TRP A 6 8.981 -2.444 5.624 1.00 0.00 C ATOM 70 CD1 TRP A 6 7.890 -3.065 6.139 1.00 0.00 C ATOM 71 CD2 TRP A 6 9.503 -3.333 4.617 1.00 0.00 C ATOM 72 NE1 TRP A 6 7.726 -4.284 5.536 1.00 0.00 N ATOM 73 CE2 TRP A 6 8.697 -4.474 4.617 1.00 0.00 C ATOM 74 CE3 TRP A 6 10.580 -3.286 3.728 1.00 0.00 C ATOM 75 CZ2 TRP A 6 8.911 -5.553 3.775 1.00 0.00 C ATOM 76 CZ3 TRP A 6 10.788 -4.364 2.884 1.00 0.00 C ATOM 77 CH2 TRP A 6 9.958 -5.482 2.918 1.00 0.00 C ATOM 0 H TRP A 6 7.448 -0.900 8.019 1.00 0.00 H new ATOM 0 HA TRP A 6 10.378 -0.760 7.868 1.00 0.00 H new ATOM 0 HB2 TRP A 6 8.933 -0.369 5.297 1.00 0.00 H new ATOM 0 HB3 TRP A 6 10.530 -1.025 5.603 1.00 0.00 H new ATOM 0 HD1 TRP A 6 7.248 -2.660 6.908 1.00 0.00 H new ATOM 0 HE1 TRP A 6 6.982 -4.948 5.749 1.00 0.00 H new ATOM 0 HE3 TRP A 6 11.236 -2.428 3.700 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 8.267 -6.419 3.801 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 11.611 -4.337 2.185 1.00 0.00 H new ATOM 0 HH2 TRP A 6 10.153 -6.307 2.249 1.00 0.00 H new ATOM 87 N LYS A 7 9.925 1.864 7.719 1.00 0.00 N ATOM 88 CA LYS A 7 9.659 3.282 7.484 1.00 0.00 C ATOM 89 C LYS A 7 10.828 4.174 7.885 1.00 0.00 C ATOM 90 O LYS A 7 11.783 3.732 8.522 1.00 0.00 O ATOM 91 CB LYS A 7 8.378 3.726 8.197 1.00 0.00 C ATOM 92 CG LYS A 7 7.639 4.860 7.491 1.00 0.00 C ATOM 93 CD LYS A 7 7.252 4.488 6.067 1.00 0.00 C ATOM 94 CE LYS A 7 6.311 5.513 5.442 1.00 0.00 C ATOM 95 NZ LYS A 7 4.921 5.425 5.974 1.00 0.00 N ATOM 0 H LYS A 7 10.756 1.660 8.274 1.00 0.00 H new ATOM 0 HA LYS A 7 9.523 3.397 6.409 1.00 0.00 H new ATOM 0 HB2 LYS A 7 7.709 2.870 8.288 1.00 0.00 H new ATOM 0 HB3 LYS A 7 8.628 4.043 9.209 1.00 0.00 H new ATOM 0 HG2 LYS A 7 6.742 5.115 8.056 1.00 0.00 H new ATOM 0 HG3 LYS A 7 8.269 5.749 7.475 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.152 4.404 5.458 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.773 3.509 6.066 1.00 0.00 H new ATOM 0 HE2 LYS A 7 6.701 6.515 5.623 1.00 0.00 H new ATOM 0 HE3 LYS A 7 6.291 5.369 4.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 4.286 5.071 5.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 4.900 4.774 6.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 4.606 6.368 6.279 1.00 0.00 H new ATOM 105 N VAL A 8 10.726 5.439 7.501 1.00 0.00 N ATOM 106 CA VAL A 8 11.730 6.443 7.816 1.00 0.00 C ATOM 107 C VAL A 8 11.249 7.274 9.002 1.00 0.00 C ATOM 108 O VAL A 8 10.039 7.435 9.188 1.00 0.00 O ATOM 109 CB VAL A 8 11.965 7.379 6.608 1.00 0.00 C ATOM 110 CG1 VAL A 8 13.144 8.308 6.851 1.00 0.00 C ATOM 111 CG2 VAL A 8 12.169 6.573 5.335 1.00 0.00 C ATOM 0 H VAL A 8 9.940 5.798 6.959 1.00 0.00 H new ATOM 0 HA VAL A 8 12.666 5.939 8.058 1.00 0.00 H new ATOM 0 HB VAL A 8 11.074 7.996 6.486 1.00 0.00 H new ATOM 0 HG11 VAL A 8 13.284 8.953 5.984 1.00 0.00 H new ATOM 0 HG12 VAL A 8 12.949 8.920 7.731 1.00 0.00 H new ATOM 0 HG13 VAL A 8 14.046 7.717 7.012 1.00 0.00 H new ATOM 0 HG21 VAL A 8 12.333 7.251 4.497 1.00 0.00 H new ATOM 0 HG22 VAL A 8 13.037 5.923 5.451 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.284 5.966 5.143 1.00 0.00 H new ATOM 121 N GLY A 9 12.185 7.675 9.860 1.00 0.00 N ATOM 122 CA GLY A 9 11.851 8.370 11.092 1.00 0.00 C ATOM 123 C GLY A 9 10.854 9.495 10.899 1.00 0.00 C ATOM 124 O GLY A 9 11.009 10.338 10.009 1.00 0.00 O ATOM 0 H GLY A 9 13.184 7.527 9.719 1.00 0.00 H new ATOM 0 HA2 GLY A 9 11.445 7.653 11.806 1.00 0.00 H new ATOM 0 HA3 GLY A 9 12.763 8.775 11.531 1.00 0.00 H new ATOM 128 N GLY A 10 9.785 9.449 11.677 1.00 0.00 N ATOM 129 CA GLY A 10 8.715 10.407 11.529 1.00 0.00 C ATOM 130 C GLY A 10 7.450 9.752 11.027 1.00 0.00 C ATOM 131 O GLY A 10 6.345 10.169 11.365 1.00 0.00 O ATOM 0 H GLY A 10 9.640 8.759 12.414 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.521 10.888 12.488 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.020 11.190 10.835 1.00 0.00 H new ATOM 135 N LEU A 11 7.620 8.721 10.214 1.00 0.00 N ATOM 136 CA LEU A 11 6.497 7.987 9.658 1.00 0.00 C ATOM 137 C LEU A 11 6.549 6.538 10.120 1.00 0.00 C ATOM 138 O LEU A 11 7.598 6.055 10.545 1.00 0.00 O ATOM 139 CB LEU A 11 6.532 8.025 8.127 1.00 0.00 C ATOM 140 CG LEU A 11 6.854 9.383 7.498 1.00 0.00 C ATOM 141 CD1 LEU A 11 6.951 9.250 5.989 1.00 0.00 C ATOM 142 CD2 LEU A 11 5.807 10.421 7.876 1.00 0.00 C ATOM 0 H LEU A 11 8.534 8.372 9.923 1.00 0.00 H new ATOM 0 HA LEU A 11 5.576 8.455 10.005 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.271 7.302 7.782 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.563 7.694 7.753 1.00 0.00 H new ATOM 0 HG LEU A 11 7.816 9.720 7.884 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.180 10.222 5.552 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.741 8.543 5.736 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.001 8.890 5.594 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.059 11.377 7.416 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.828 10.096 7.523 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.782 10.535 8.960 1.00 0.00 H new ATOM 153 N LYS A 12 5.452 5.825 9.939 1.00 0.00 N ATOM 154 CA LYS A 12 5.408 4.396 10.222 1.00 0.00 C ATOM 155 C LYS A 12 4.739 3.667 9.064 1.00 0.00 C ATOM 156 O LYS A 12 3.886 4.234 8.377 1.00 0.00 O ATOM 157 CB LYS A 12 4.671 4.115 11.542 1.00 0.00 C ATOM 158 CG LYS A 12 3.357 4.858 11.682 1.00 0.00 C ATOM 159 CD LYS A 12 2.769 4.704 13.075 1.00 0.00 C ATOM 160 CE LYS A 12 3.694 5.272 14.139 1.00 0.00 C ATOM 161 NZ LYS A 12 3.086 5.210 15.493 1.00 0.00 N ATOM 0 H LYS A 12 4.573 6.212 9.595 1.00 0.00 H new ATOM 0 HA LYS A 12 6.429 4.029 10.332 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.482 3.044 11.620 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.321 4.386 12.374 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.512 5.915 11.468 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.647 4.484 10.944 1.00 0.00 H new ATOM 0 HD2 LYS A 12 1.805 5.211 13.122 1.00 0.00 H new ATOM 0 HD3 LYS A 12 2.584 3.649 13.278 1.00 0.00 H new ATOM 0 HE2 LYS A 12 4.633 4.718 14.137 1.00 0.00 H new ATOM 0 HE3 LYS A 12 3.934 6.307 13.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 3.749 5.607 16.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 2.203 5.760 15.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 2.880 4.220 15.736 1.00 0.00 H new ATOM 171 N LEU A 13 5.178 2.448 8.803 1.00 0.00 N ATOM 172 CA LEU A 13 4.602 1.638 7.741 1.00 0.00 C ATOM 173 C LEU A 13 4.703 0.182 8.139 1.00 0.00 C ATOM 174 O LEU A 13 5.774 -0.309 8.484 1.00 0.00 O ATOM 175 CB LEU A 13 5.302 1.873 6.392 1.00 0.00 C ATOM 176 CG LEU A 13 4.473 1.571 5.125 1.00 0.00 C ATOM 177 CD1 LEU A 13 5.296 1.825 3.874 1.00 0.00 C ATOM 178 CD2 LEU A 13 3.962 0.142 5.109 1.00 0.00 C ATOM 0 H LEU A 13 5.935 1.995 9.314 1.00 0.00 H new ATOM 0 HA LEU A 13 3.559 1.925 7.609 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.622 2.914 6.350 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.204 1.261 6.364 1.00 0.00 H new ATOM 0 HG LEU A 13 3.614 2.241 5.141 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.694 1.606 2.992 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.609 2.869 3.850 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.176 1.182 3.881 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.384 -0.028 4.201 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.806 -0.547 5.136 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.328 -0.027 5.979 1.00 0.00 H new ATOM 189 N THR A 14 3.559 -0.456 8.209 1.00 0.00 N ATOM 190 CA THR A 14 3.474 -1.813 8.673 1.00 0.00 C ATOM 191 C THR A 14 3.251 -2.807 7.533 1.00 0.00 C ATOM 192 O THR A 14 2.293 -2.708 6.779 1.00 0.00 O ATOM 193 CB THR A 14 2.393 -1.946 9.752 1.00 0.00 C ATOM 194 OG1 THR A 14 2.819 -1.240 10.923 1.00 0.00 O ATOM 195 CG2 THR A 14 2.089 -3.389 10.102 1.00 0.00 C ATOM 0 H THR A 14 2.663 -0.046 7.945 1.00 0.00 H new ATOM 0 HA THR A 14 4.437 -2.066 9.117 1.00 0.00 H new ATOM 0 HB THR A 14 1.472 -1.518 9.356 1.00 0.00 H new ATOM 0 HG1 THR A 14 2.216 -1.447 11.667 1.00 0.00 H new ATOM 0 HG21 THR A 14 1.317 -3.422 10.871 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.738 -3.913 9.213 1.00 0.00 H new ATOM 0 HG23 THR A 14 2.993 -3.871 10.475 1.00 0.00 H new ATOM 203 N ILE A 15 4.200 -3.736 7.428 1.00 0.00 N ATOM 204 CA ILE A 15 4.233 -4.778 6.436 1.00 0.00 C ATOM 205 C ILE A 15 5.132 -5.959 6.915 1.00 0.00 C ATOM 206 O ILE A 15 6.349 -5.862 6.906 1.00 0.00 O ATOM 207 CB ILE A 15 4.852 -4.254 5.140 1.00 0.00 C ATOM 208 CG1 ILE A 15 3.868 -3.392 4.344 1.00 0.00 C ATOM 209 CG2 ILE A 15 5.425 -5.386 4.306 1.00 0.00 C ATOM 210 CD1 ILE A 15 4.467 -2.768 3.102 1.00 0.00 C ATOM 0 H ILE A 15 4.995 -3.773 8.065 1.00 0.00 H new ATOM 0 HA ILE A 15 3.207 -5.109 6.277 1.00 0.00 H new ATOM 0 HB ILE A 15 5.682 -3.603 5.414 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.014 -4.005 4.055 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.488 -2.600 4.990 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.858 -4.981 3.391 1.00 0.00 H new ATOM 0 HG22 ILE A 15 6.198 -5.902 4.875 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.631 -6.089 4.052 1.00 0.00 H new ATOM 0 HD11 ILE A 15 3.709 -2.173 2.592 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.303 -2.127 3.384 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.821 -3.554 2.435 1.00 0.00 H new ATOM 221 N THR A 16 4.541 -7.055 7.329 1.00 0.00 N ATOM 222 CA THR A 16 5.259 -8.269 7.586 1.00 0.00 C ATOM 223 C THR A 16 4.283 -9.401 7.944 1.00 0.00 C ATOM 224 O THR A 16 3.568 -9.320 8.928 1.00 0.00 O ATOM 225 CB THR A 16 6.406 -8.104 8.635 1.00 0.00 C ATOM 226 OG1 THR A 16 7.667 -8.482 8.061 1.00 0.00 O ATOM 227 CG2 THR A 16 6.173 -8.922 9.897 1.00 0.00 C ATOM 0 H THR A 16 3.537 -7.124 7.497 1.00 0.00 H new ATOM 0 HA THR A 16 5.771 -8.544 6.664 1.00 0.00 H new ATOM 0 HB THR A 16 6.416 -7.051 8.916 1.00 0.00 H new ATOM 0 HG1 THR A 16 8.376 -8.372 8.728 1.00 0.00 H new ATOM 0 HG21 THR A 16 7.001 -8.768 10.589 1.00 0.00 H new ATOM 0 HG22 THR A 16 5.243 -8.606 10.369 1.00 0.00 H new ATOM 0 HG23 THR A 16 6.108 -9.979 9.639 1.00 0.00 H new ATOM 235 N GLN A 17 4.118 -10.370 7.074 1.00 0.00 N ATOM 236 CA GLN A 17 3.080 -11.362 7.298 1.00 0.00 C ATOM 237 C GLN A 17 3.605 -12.708 7.806 1.00 0.00 C ATOM 238 O GLN A 17 4.734 -13.099 7.510 1.00 0.00 O ATOM 239 CB GLN A 17 2.249 -11.597 6.075 1.00 0.00 C ATOM 240 CG GLN A 17 1.004 -12.362 6.472 1.00 0.00 C ATOM 241 CD GLN A 17 0.301 -11.738 7.687 1.00 0.00 C ATOM 242 OE1 GLN A 17 -0.419 -12.412 8.412 1.00 0.00 O ATOM 243 NE2 GLN A 17 0.483 -10.447 7.903 1.00 0.00 N ATOM 0 H GLN A 17 4.670 -10.496 6.225 1.00 0.00 H new ATOM 0 HA GLN A 17 2.463 -10.928 8.084 1.00 0.00 H new ATOM 0 HB2 GLN A 17 1.978 -10.647 5.615 1.00 0.00 H new ATOM 0 HB3 GLN A 17 2.818 -12.159 5.334 1.00 0.00 H new ATOM 0 HG2 GLN A 17 0.313 -12.390 5.630 1.00 0.00 H new ATOM 0 HG3 GLN A 17 1.271 -13.394 6.700 1.00 0.00 H new ATOM 0 HE21 GLN A 17 1.088 -9.907 7.285 1.00 0.00 H new ATOM 0 HE22 GLN A 17 0.019 -9.991 8.688 1.00 0.00 H new ATOM 250 N GLU A 18 2.697 -13.463 8.440 1.00 0.00 N ATOM 251 CA GLU A 18 2.927 -14.846 8.833 1.00 0.00 C ATOM 252 C GLU A 18 3.353 -15.698 7.638 1.00 0.00 C ATOM 253 O GLU A 18 4.253 -16.531 7.744 1.00 0.00 O ATOM 254 CB GLU A 18 1.652 -15.416 9.493 1.00 0.00 C ATOM 255 CG GLU A 18 0.334 -15.198 8.723 1.00 0.00 C ATOM 256 CD GLU A 18 0.088 -16.220 7.634 1.00 0.00 C ATOM 257 OE1 GLU A 18 0.132 -17.430 7.922 1.00 0.00 O ATOM 258 OE2 GLU A 18 -0.167 -15.815 6.484 1.00 0.00 O ATOM 0 H GLU A 18 1.771 -13.118 8.694 1.00 0.00 H new ATOM 0 HA GLU A 18 3.742 -14.873 9.556 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.791 -16.487 9.639 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.549 -14.970 10.482 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.497 -15.225 9.428 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.344 -14.203 8.279 1.00 0.00 H new ATOM 263 N GLY A 19 2.735 -15.441 6.498 1.00 0.00 N ATOM 264 CA GLY A 19 3.072 -16.143 5.283 1.00 0.00 C ATOM 265 C GLY A 19 2.371 -15.530 4.094 1.00 0.00 C ATOM 266 O GLY A 19 3.022 -15.002 3.193 1.00 0.00 O ATOM 0 H GLY A 19 1.995 -14.747 6.394 1.00 0.00 H new ATOM 0 HA2 GLY A 19 4.151 -16.114 5.129 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.791 -17.192 5.375 1.00 0.00 H new ATOM 270 N ASN A 20 1.050 -15.409 4.198 1.00 0.00 N ATOM 271 CA ASN A 20 0.265 -14.683 3.202 1.00 0.00 C ATOM 272 C ASN A 20 -0.953 -14.039 3.860 1.00 0.00 C ATOM 273 O ASN A 20 -2.039 -14.618 3.876 1.00 0.00 O ATOM 274 CB ASN A 20 -0.235 -15.638 2.098 1.00 0.00 C ATOM 275 CG ASN A 20 0.839 -16.094 1.122 1.00 0.00 C ATOM 276 OD1 ASN A 20 1.794 -16.781 1.489 1.00 0.00 O ATOM 277 ND2 ASN A 20 0.663 -15.754 -0.142 1.00 0.00 N ATOM 0 H ASN A 20 0.500 -15.804 4.961 1.00 0.00 H new ATOM 0 HA ASN A 20 0.908 -13.919 2.765 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -0.677 -16.516 2.568 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.029 -15.142 1.539 1.00 0.00 H new ATOM 0 HD21 ASN A 20 1.329 -16.061 -0.850 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -0.139 -15.184 -0.410 1.00 0.00 H new ATOM 283 N LYS A 21 -0.789 -12.781 4.246 1.00 0.00 N ATOM 284 CA LYS A 21 -1.856 -11.942 4.787 1.00 0.00 C ATOM 285 C LYS A 21 -1.301 -10.521 4.844 1.00 0.00 C ATOM 286 O LYS A 21 -0.114 -10.328 5.063 1.00 0.00 O ATOM 287 CB LYS A 21 -2.301 -12.429 6.181 1.00 0.00 C ATOM 288 CG LYS A 21 -3.502 -13.364 6.164 1.00 0.00 C ATOM 289 CD LYS A 21 -3.757 -13.966 7.536 1.00 0.00 C ATOM 290 CE LYS A 21 -5.005 -14.837 7.547 1.00 0.00 C ATOM 291 NZ LYS A 21 -6.253 -14.035 7.427 1.00 0.00 N ATOM 0 H LYS A 21 0.110 -12.302 4.191 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.744 -11.987 4.157 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.465 -12.939 6.659 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.539 -11.562 6.797 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.386 -12.817 5.835 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.333 -14.162 5.441 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.895 -14.561 7.838 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.865 -13.167 8.269 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.954 -15.552 6.725 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -5.034 -15.415 8.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -6.886 -14.257 8.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -6.018 -13.022 7.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -6.729 -14.265 6.531 1.00 0.00 H new ATOM 301 N PHE A 22 -2.014 -9.584 4.327 1.00 0.00 N ATOM 302 CA PHE A 22 -1.407 -8.296 4.069 1.00 0.00 C ATOM 303 C PHE A 22 -2.123 -7.169 4.793 1.00 0.00 C ATOM 304 O PHE A 22 -3.075 -6.593 4.280 1.00 0.00 O ATOM 305 CB PHE A 22 -1.408 -8.027 2.566 1.00 0.00 C ATOM 306 CG PHE A 22 -0.438 -8.855 1.759 1.00 0.00 C ATOM 307 CD1 PHE A 22 0.398 -9.799 2.348 1.00 0.00 C ATOM 308 CD2 PHE A 22 -0.359 -8.667 0.390 1.00 0.00 C ATOM 309 CE1 PHE A 22 1.278 -10.530 1.580 1.00 0.00 C ATOM 310 CE2 PHE A 22 0.523 -9.398 -0.376 1.00 0.00 C ATOM 311 CZ PHE A 22 1.341 -10.330 0.219 1.00 0.00 C ATOM 0 H PHE A 22 -2.999 -9.666 4.074 1.00 0.00 H new ATOM 0 HA PHE A 22 -0.385 -8.328 4.447 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.414 -8.201 2.184 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -1.183 -6.973 2.403 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.357 -9.960 3.415 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.998 -7.937 -0.085 1.00 0.00 H new ATOM 0 HE1 PHE A 22 1.920 -11.262 2.047 1.00 0.00 H new ATOM 0 HE2 PHE A 22 0.572 -9.239 -1.443 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.032 -10.904 -0.380 1.00 0.00 H new ATOM 320 N THR A 23 -1.506 -6.718 5.862 1.00 0.00 N ATOM 321 CA THR A 23 -1.910 -5.490 6.510 1.00 0.00 C ATOM 322 C THR A 23 -0.838 -4.435 6.281 1.00 0.00 C ATOM 323 O THR A 23 0.285 -4.562 6.768 1.00 0.00 O ATOM 324 CB THR A 23 -2.139 -5.698 8.021 1.00 0.00 C ATOM 325 OG1 THR A 23 -3.421 -6.296 8.249 1.00 0.00 O ATOM 326 CG2 THR A 23 -2.021 -4.386 8.781 1.00 0.00 C ATOM 0 H THR A 23 -0.716 -7.188 6.304 1.00 0.00 H new ATOM 0 HA THR A 23 -2.856 -5.161 6.079 1.00 0.00 H new ATOM 0 HB THR A 23 -1.365 -6.370 8.392 1.00 0.00 H new ATOM 0 HG1 THR A 23 -3.555 -6.425 9.211 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.187 -4.565 9.843 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.025 -3.969 8.635 1.00 0.00 H new ATOM 0 HG23 THR A 23 -2.766 -3.682 8.410 1.00 0.00 H new ATOM 334 N VAL A 24 -1.177 -3.404 5.533 1.00 0.00 N ATOM 335 CA VAL A 24 -0.246 -2.332 5.272 1.00 0.00 C ATOM 336 C VAL A 24 -0.620 -1.143 6.122 1.00 0.00 C ATOM 337 O VAL A 24 -1.722 -0.612 6.000 1.00 0.00 O ATOM 338 CB VAL A 24 -0.257 -1.885 3.792 1.00 0.00 C ATOM 339 CG1 VAL A 24 0.701 -0.725 3.568 1.00 0.00 C ATOM 340 CG2 VAL A 24 0.100 -3.036 2.883 1.00 0.00 C ATOM 0 H VAL A 24 -2.092 -3.289 5.096 1.00 0.00 H new ATOM 0 HA VAL A 24 0.751 -2.703 5.508 1.00 0.00 H new ATOM 0 HB VAL A 24 -1.266 -1.551 3.552 1.00 0.00 H new ATOM 0 HG11 VAL A 24 0.675 -0.429 2.519 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.403 0.119 4.191 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.713 -1.032 3.833 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.086 -2.699 1.847 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.096 -3.401 3.133 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.624 -3.840 3.013 1.00 0.00 H new ATOM 350 N LYS A 25 0.296 -0.694 6.940 1.00 0.00 N ATOM 351 CA LYS A 25 0.031 0.494 7.742 1.00 0.00 C ATOM 352 C LYS A 25 0.722 1.685 7.123 1.00 0.00 C ATOM 353 O LYS A 25 1.939 1.752 7.098 1.00 0.00 O ATOM 354 CB LYS A 25 0.515 0.310 9.173 1.00 0.00 C ATOM 355 CG LYS A 25 0.220 1.479 10.095 1.00 0.00 C ATOM 356 CD LYS A 25 0.919 1.301 11.433 1.00 0.00 C ATOM 357 CE LYS A 25 0.351 2.231 12.490 1.00 0.00 C ATOM 358 NZ LYS A 25 -1.023 1.834 12.890 1.00 0.00 N ATOM 0 H LYS A 25 1.215 -1.115 7.074 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.046 0.659 7.764 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.054 -0.587 9.586 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.591 0.138 9.159 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.549 2.408 9.629 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.856 1.563 10.250 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.815 0.268 11.763 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.986 1.492 11.315 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.000 2.227 13.365 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.338 3.252 12.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.650 2.663 12.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.375 1.101 12.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.008 1.459 13.860 1.00 0.00 H new ATOM 368 N GLU A 26 -0.056 2.602 6.592 1.00 0.00 N ATOM 369 CA GLU A 26 0.503 3.774 5.945 1.00 0.00 C ATOM 370 C GLU A 26 0.355 4.996 6.846 1.00 0.00 C ATOM 371 O GLU A 26 -0.600 5.090 7.623 1.00 0.00 O ATOM 372 CB GLU A 26 -0.172 4.007 4.593 1.00 0.00 C ATOM 373 CG GLU A 26 0.554 5.033 3.742 1.00 0.00 C ATOM 374 CD GLU A 26 2.038 4.735 3.635 1.00 0.00 C ATOM 375 OE1 GLU A 26 2.411 3.806 2.893 1.00 0.00 O ATOM 376 OE2 GLU A 26 2.834 5.409 4.335 1.00 0.00 O ATOM 0 H GLU A 26 -1.075 2.562 6.594 1.00 0.00 H new ATOM 0 HA GLU A 26 1.566 3.607 5.770 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.224 3.063 4.051 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.198 4.338 4.756 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.115 5.052 2.744 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.413 6.025 4.171 1.00 0.00 H new ATOM 381 N SER A 27 1.353 5.874 6.822 1.00 0.00 N ATOM 382 CA SER A 27 1.374 7.038 7.699 1.00 0.00 C ATOM 383 C SER A 27 2.232 8.150 7.109 1.00 0.00 C ATOM 384 O SER A 27 3.345 7.899 6.630 1.00 0.00 O ATOM 385 CB SER A 27 1.917 6.652 9.077 1.00 0.00 C ATOM 386 OG SER A 27 1.183 5.578 9.633 1.00 0.00 O ATOM 0 H SER A 27 2.160 5.800 6.202 1.00 0.00 H new ATOM 0 HA SER A 27 0.351 7.401 7.799 1.00 0.00 H new ATOM 0 HB2 SER A 27 2.967 6.373 8.992 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.869 7.513 9.744 1.00 0.00 H new ATOM 0 HG SER A 27 1.489 4.734 9.240 1.00 0.00 H new ATOM 391 N SER A 28 1.729 9.377 7.179 1.00 0.00 N ATOM 392 CA SER A 28 2.450 10.544 6.683 1.00 0.00 C ATOM 393 C SER A 28 1.931 11.817 7.349 1.00 0.00 C ATOM 394 O SER A 28 0.721 12.021 7.439 1.00 0.00 O ATOM 395 CB SER A 28 2.298 10.673 5.165 1.00 0.00 C ATOM 396 OG SER A 28 2.797 9.531 4.488 1.00 0.00 O ATOM 0 H SER A 28 0.815 9.591 7.579 1.00 0.00 H new ATOM 0 HA SER A 28 3.504 10.411 6.926 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.246 10.813 4.915 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.828 11.561 4.820 1.00 0.00 H new ATOM 0 HG SER A 28 3.175 8.904 5.139 1.00 0.00 H new ATOM 401 N ASN A 29 2.862 12.671 7.780 1.00 0.00 N ATOM 402 CA ASN A 29 2.551 13.974 8.396 1.00 0.00 C ATOM 403 C ASN A 29 1.809 13.828 9.728 1.00 0.00 C ATOM 404 O ASN A 29 2.379 14.075 10.792 1.00 0.00 O ATOM 405 CB ASN A 29 1.741 14.855 7.432 1.00 0.00 C ATOM 406 CG ASN A 29 1.540 16.274 7.949 1.00 0.00 C ATOM 407 OD1 ASN A 29 0.866 16.499 8.954 1.00 0.00 O ATOM 408 ND2 ASN A 29 2.120 17.244 7.257 1.00 0.00 N ATOM 0 H ASN A 29 3.862 12.481 7.713 1.00 0.00 H new ATOM 0 HA ASN A 29 3.505 14.458 8.605 1.00 0.00 H new ATOM 0 HB2 ASN A 29 2.250 14.894 6.469 1.00 0.00 H new ATOM 0 HB3 ASN A 29 0.768 14.396 7.260 1.00 0.00 H new ATOM 0 HD21 ASN A 29 2.015 18.215 7.553 1.00 0.00 H new ATOM 0 HD22 ASN A 29 2.672 17.020 6.429 1.00 0.00 H new ATOM 414 N PHE A 30 0.551 13.412 9.674 1.00 0.00 N ATOM 415 CA PHE A 30 -0.255 13.254 10.876 1.00 0.00 C ATOM 416 C PHE A 30 -1.441 12.343 10.597 1.00 0.00 C ATOM 417 O PHE A 30 -2.578 12.627 10.980 1.00 0.00 O ATOM 418 CB PHE A 30 -0.729 14.619 11.391 1.00 0.00 C ATOM 419 CG PHE A 30 -1.265 14.584 12.797 1.00 0.00 C ATOM 420 CD1 PHE A 30 -0.618 13.855 13.783 1.00 0.00 C ATOM 421 CD2 PHE A 30 -2.413 15.285 13.134 1.00 0.00 C ATOM 422 CE1 PHE A 30 -1.108 13.821 15.076 1.00 0.00 C ATOM 423 CE2 PHE A 30 -2.907 15.255 14.425 1.00 0.00 C ATOM 424 CZ PHE A 30 -2.251 14.524 15.397 1.00 0.00 C ATOM 0 H PHE A 30 0.066 13.177 8.808 1.00 0.00 H new ATOM 0 HA PHE A 30 0.360 12.795 11.650 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.102 15.323 11.346 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.504 14.999 10.726 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.280 13.307 13.538 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -2.927 15.861 12.379 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.597 13.245 15.833 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -3.804 15.802 14.673 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.633 14.503 16.407 1.00 0.00 H new ATOM 433 N ARG A 31 -1.157 11.221 9.965 1.00 0.00 N ATOM 434 CA ARG A 31 -2.174 10.235 9.660 1.00 0.00 C ATOM 435 C ARG A 31 -1.569 8.849 9.741 1.00 0.00 C ATOM 436 O ARG A 31 -0.384 8.672 9.464 1.00 0.00 O ATOM 437 CB ARG A 31 -2.760 10.476 8.267 1.00 0.00 C ATOM 438 CG ARG A 31 -1.771 10.237 7.137 1.00 0.00 C ATOM 439 CD ARG A 31 -2.172 10.999 5.890 1.00 0.00 C ATOM 440 NE ARG A 31 -3.493 10.603 5.398 1.00 0.00 N ATOM 441 CZ ARG A 31 -3.745 9.473 4.732 1.00 0.00 C ATOM 442 NH1 ARG A 31 -2.758 8.662 4.370 1.00 0.00 N ATOM 443 NH2 ARG A 31 -4.994 9.164 4.416 1.00 0.00 N ATOM 0 H ARG A 31 -0.220 10.968 9.650 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.982 10.322 10.387 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.622 9.823 8.127 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.124 11.502 8.208 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -0.774 10.546 7.451 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.719 9.171 6.915 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.172 12.068 6.104 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.430 10.830 5.109 1.00 0.00 H new ATOM 0 HE ARG A 31 -4.275 11.234 5.576 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.793 8.899 4.600 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.965 7.802 3.862 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -5.756 9.788 4.681 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.193 8.303 3.907 1.00 0.00 H new ATOM 454 N ASN A 32 -2.367 7.889 10.159 1.00 0.00 N ATOM 455 CA ASN A 32 -1.915 6.516 10.298 1.00 0.00 C ATOM 456 C ASN A 32 -3.087 5.567 10.111 1.00 0.00 C ATOM 457 O ASN A 32 -4.160 5.773 10.677 1.00 0.00 O ATOM 458 CB ASN A 32 -1.234 6.302 11.662 1.00 0.00 C ATOM 459 CG ASN A 32 -2.006 6.903 12.824 1.00 0.00 C ATOM 460 OD1 ASN A 32 -3.077 6.422 13.196 1.00 0.00 O ATOM 461 ND2 ASN A 32 -1.464 7.961 13.411 1.00 0.00 N ATOM 0 H ASN A 32 -3.344 8.035 10.412 1.00 0.00 H new ATOM 0 HA ASN A 32 -1.175 6.306 9.526 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -1.109 5.233 11.833 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -0.236 6.739 11.634 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -1.936 8.405 14.199 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -0.575 8.331 13.075 1.00 0.00 H new ATOM 467 N ILE A 33 -2.932 4.632 9.189 1.00 0.00 N ATOM 468 CA ILE A 33 -4.033 3.765 8.797 1.00 0.00 C ATOM 469 C ILE A 33 -3.520 2.406 8.330 1.00 0.00 C ATOM 470 O ILE A 33 -2.598 2.321 7.522 1.00 0.00 O ATOM 471 CB ILE A 33 -4.881 4.424 7.676 1.00 0.00 C ATOM 472 CG1 ILE A 33 -5.952 3.465 7.156 1.00 0.00 C ATOM 473 CG2 ILE A 33 -3.996 4.899 6.532 1.00 0.00 C ATOM 474 CD1 ILE A 33 -7.005 3.125 8.184 1.00 0.00 C ATOM 0 H ILE A 33 -2.056 4.453 8.698 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.664 3.615 9.673 1.00 0.00 H new ATOM 0 HB ILE A 33 -5.381 5.290 8.109 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -6.435 3.909 6.286 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -5.473 2.545 6.820 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -4.614 5.357 5.760 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.280 5.631 6.906 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.459 4.049 6.110 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.732 2.441 7.747 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -6.533 2.652 9.045 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -7.510 4.037 8.503 1.00 0.00 H new ATOM 485 N ASP A 34 -4.131 1.346 8.837 1.00 0.00 N ATOM 486 CA ASP A 34 -3.760 -0.002 8.444 1.00 0.00 C ATOM 487 C ASP A 34 -4.801 -0.556 7.495 1.00 0.00 C ATOM 488 O ASP A 34 -5.982 -0.643 7.838 1.00 0.00 O ATOM 489 CB ASP A 34 -3.649 -0.936 9.654 1.00 0.00 C ATOM 490 CG ASP A 34 -2.638 -0.479 10.691 1.00 0.00 C ATOM 491 OD1 ASP A 34 -2.782 0.643 11.228 1.00 0.00 O ATOM 492 OD2 ASP A 34 -1.706 -1.250 10.996 1.00 0.00 O ATOM 0 H ASP A 34 -4.886 1.395 9.521 1.00 0.00 H new ATOM 0 HA ASP A 34 -2.785 0.051 7.959 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.627 -1.020 10.127 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -3.375 -1.933 9.308 1.00 0.00 H new ATOM 496 N VAL A 35 -4.355 -0.988 6.334 1.00 0.00 N ATOM 497 CA VAL A 35 -5.232 -1.619 5.371 1.00 0.00 C ATOM 498 C VAL A 35 -4.974 -3.117 5.386 1.00 0.00 C ATOM 499 O VAL A 35 -3.854 -3.552 5.132 1.00 0.00 O ATOM 500 CB VAL A 35 -4.994 -1.073 3.946 1.00 0.00 C ATOM 501 CG1 VAL A 35 -6.140 -1.462 3.022 1.00 0.00 C ATOM 502 CG2 VAL A 35 -4.801 0.438 3.967 1.00 0.00 C ATOM 0 H VAL A 35 -3.383 -0.913 6.033 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.264 -1.401 5.646 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.079 -1.522 3.559 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.952 -1.067 2.023 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.216 -2.548 2.974 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.073 -1.049 3.406 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.635 0.798 2.952 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.691 0.913 4.379 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.938 0.686 4.585 1.00 0.00 H new ATOM 512 N VAL A 36 -5.977 -3.894 5.752 1.00 0.00 N ATOM 513 CA VAL A 36 -5.811 -5.336 5.856 1.00 0.00 C ATOM 514 C VAL A 36 -6.502 -6.055 4.699 1.00 0.00 C ATOM 515 O VAL A 36 -7.645 -5.753 4.354 1.00 0.00 O ATOM 516 CB VAL A 36 -6.332 -5.871 7.213 1.00 0.00 C ATOM 517 CG1 VAL A 36 -7.730 -5.350 7.509 1.00 0.00 C ATOM 518 CG2 VAL A 36 -6.313 -7.392 7.242 1.00 0.00 C ATOM 0 H VAL A 36 -6.911 -3.555 5.982 1.00 0.00 H new ATOM 0 HA VAL A 36 -4.742 -5.543 5.800 1.00 0.00 H new ATOM 0 HB VAL A 36 -5.662 -5.505 7.991 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -8.069 -5.742 8.468 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -7.712 -4.261 7.549 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -8.413 -5.673 6.723 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -6.683 -7.742 8.205 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -6.949 -7.779 6.446 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.293 -7.746 7.095 1.00 0.00 H new ATOM 528 N PHE A 37 -5.756 -6.926 4.035 1.00 0.00 N ATOM 529 CA PHE A 37 -6.239 -7.617 2.850 1.00 0.00 C ATOM 530 C PHE A 37 -5.433 -8.881 2.596 1.00 0.00 C ATOM 531 O PHE A 37 -4.268 -8.971 2.969 1.00 0.00 O ATOM 532 CB PHE A 37 -6.179 -6.691 1.625 1.00 0.00 C ATOM 533 CG PHE A 37 -4.902 -5.897 1.502 1.00 0.00 C ATOM 534 CD1 PHE A 37 -4.770 -4.680 2.149 1.00 0.00 C ATOM 535 CD2 PHE A 37 -3.837 -6.364 0.749 1.00 0.00 C ATOM 536 CE1 PHE A 37 -3.606 -3.947 2.052 1.00 0.00 C ATOM 537 CE2 PHE A 37 -2.670 -5.630 0.649 1.00 0.00 C ATOM 538 CZ PHE A 37 -2.555 -4.423 1.302 1.00 0.00 C ATOM 0 H PHE A 37 -4.803 -7.172 4.302 1.00 0.00 H new ATOM 0 HA PHE A 37 -7.277 -7.901 3.022 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.306 -7.292 0.725 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -7.020 -5.999 1.667 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -5.591 -4.299 2.738 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -3.919 -7.310 0.235 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.519 -3.000 2.564 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.847 -6.004 0.058 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.642 -3.851 1.226 1.00 0.00 H new ATOM 547 N GLU A 38 -6.057 -9.858 1.972 1.00 0.00 N ATOM 548 CA GLU A 38 -5.376 -11.089 1.618 1.00 0.00 C ATOM 549 C GLU A 38 -5.153 -11.137 0.115 1.00 0.00 C ATOM 550 O GLU A 38 -5.753 -10.366 -0.631 1.00 0.00 O ATOM 551 CB GLU A 38 -6.159 -12.311 2.098 1.00 0.00 C ATOM 552 CG GLU A 38 -6.071 -12.519 3.601 1.00 0.00 C ATOM 553 CD GLU A 38 -6.757 -13.785 4.066 1.00 0.00 C ATOM 554 OE1 GLU A 38 -6.515 -14.853 3.469 1.00 0.00 O ATOM 555 OE2 GLU A 38 -7.505 -13.726 5.065 1.00 0.00 O ATOM 0 H GLU A 38 -7.039 -9.825 1.698 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.407 -11.109 2.118 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.205 -12.201 1.813 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.782 -13.199 1.591 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.022 -12.552 3.897 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.518 -11.664 4.107 1.00 0.00 H new ATOM 560 N LEU A 39 -4.208 -11.956 -0.306 1.00 0.00 N ATOM 561 CA LEU A 39 -3.829 -12.026 -1.708 1.00 0.00 C ATOM 562 C LEU A 39 -4.973 -12.578 -2.552 1.00 0.00 C ATOM 563 O LEU A 39 -5.535 -13.632 -2.241 1.00 0.00 O ATOM 564 CB LEU A 39 -2.570 -12.890 -1.890 1.00 0.00 C ATOM 565 CG LEU A 39 -1.311 -12.387 -1.170 1.00 0.00 C ATOM 566 CD1 LEU A 39 -1.369 -12.691 0.322 1.00 0.00 C ATOM 567 CD2 LEU A 39 -0.062 -13.003 -1.782 1.00 0.00 C ATOM 0 H LEU A 39 -3.686 -12.585 0.304 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.607 -11.014 -2.046 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.789 -13.898 -1.539 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.353 -12.964 -2.956 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.268 -11.305 -1.295 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.463 -12.323 0.804 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.238 -12.200 0.760 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.447 -13.768 0.471 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.820 -12.634 -1.258 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.110 -14.088 -1.692 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.000 -12.729 -2.835 1.00 0.00 H new ATOM 578 N GLY A 40 -5.315 -11.855 -3.609 1.00 0.00 N ATOM 579 CA GLY A 40 -6.384 -12.267 -4.498 1.00 0.00 C ATOM 580 C GLY A 40 -7.761 -11.956 -3.946 1.00 0.00 C ATOM 581 O GLY A 40 -8.708 -12.714 -4.162 1.00 0.00 O ATOM 0 H GLY A 40 -4.864 -10.978 -3.870 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.262 -11.769 -5.460 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.305 -13.339 -4.682 1.00 0.00 H new ATOM 585 N VAL A 41 -7.881 -10.827 -3.257 1.00 0.00 N ATOM 586 CA VAL A 41 -9.159 -10.403 -2.704 1.00 0.00 C ATOM 587 C VAL A 41 -9.521 -9.006 -3.197 1.00 0.00 C ATOM 588 O VAL A 41 -8.711 -8.084 -3.110 1.00 0.00 O ATOM 589 CB VAL A 41 -9.137 -10.404 -1.155 1.00 0.00 C ATOM 590 CG1 VAL A 41 -10.478 -9.955 -0.588 1.00 0.00 C ATOM 591 CG2 VAL A 41 -8.766 -11.779 -0.620 1.00 0.00 C ATOM 0 H VAL A 41 -7.107 -10.189 -3.069 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.909 -11.118 -3.044 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.377 -9.693 -0.832 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -10.434 -9.965 0.501 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.699 -8.945 -0.933 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -11.261 -10.633 -0.926 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -8.757 -11.755 0.470 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -9.498 -12.512 -0.961 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -7.777 -12.057 -0.985 1.00 0.00 H new ATOM 601 N ASP A 42 -10.761 -8.848 -3.642 1.00 0.00 N ATOM 602 CA ASP A 42 -11.282 -7.543 -4.035 1.00 0.00 C ATOM 603 C ASP A 42 -12.194 -7.026 -2.934 1.00 0.00 C ATOM 604 O ASP A 42 -12.908 -7.808 -2.300 1.00 0.00 O ATOM 605 CB ASP A 42 -12.067 -7.634 -5.348 1.00 0.00 C ATOM 606 CG ASP A 42 -12.583 -6.284 -5.816 1.00 0.00 C ATOM 607 OD1 ASP A 42 -11.803 -5.512 -6.416 1.00 0.00 O ATOM 608 OD2 ASP A 42 -13.776 -5.992 -5.588 1.00 0.00 O ATOM 0 H ASP A 42 -11.429 -9.612 -3.741 1.00 0.00 H new ATOM 0 HA ASP A 42 -10.444 -6.862 -4.187 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -11.428 -8.062 -6.120 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -12.908 -8.315 -5.217 1.00 0.00 H new ATOM 612 N PHE A 43 -12.079 -5.752 -2.613 1.00 0.00 N ATOM 613 CA PHE A 43 -12.797 -5.200 -1.479 1.00 0.00 C ATOM 614 C PHE A 43 -13.013 -3.699 -1.638 1.00 0.00 C ATOM 615 O PHE A 43 -12.166 -2.991 -2.187 1.00 0.00 O ATOM 616 CB PHE A 43 -12.025 -5.508 -0.185 1.00 0.00 C ATOM 617 CG PHE A 43 -10.558 -5.175 -0.264 1.00 0.00 C ATOM 618 CD1 PHE A 43 -10.122 -3.867 -0.112 1.00 0.00 C ATOM 619 CD2 PHE A 43 -9.617 -6.164 -0.523 1.00 0.00 C ATOM 620 CE1 PHE A 43 -8.783 -3.552 -0.213 1.00 0.00 C ATOM 621 CE2 PHE A 43 -8.279 -5.852 -0.622 1.00 0.00 C ATOM 622 CZ PHE A 43 -7.861 -4.545 -0.470 1.00 0.00 C ATOM 0 H PHE A 43 -11.499 -5.082 -3.118 1.00 0.00 H new ATOM 0 HA PHE A 43 -13.782 -5.665 -1.428 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -12.472 -4.949 0.637 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -12.137 -6.566 0.052 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -10.840 -3.085 0.088 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -9.938 -7.188 -0.648 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -8.457 -2.530 -0.091 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -7.556 -6.630 -0.819 1.00 0.00 H new ATOM 0 HZ PHE A 43 -6.812 -4.300 -0.552 1.00 0.00 H new ATOM 631 N ALA A 44 -14.152 -3.225 -1.157 1.00 0.00 N ATOM 632 CA ALA A 44 -14.465 -1.805 -1.173 1.00 0.00 C ATOM 633 C ALA A 44 -14.479 -1.283 0.256 1.00 0.00 C ATOM 634 O ALA A 44 -15.036 -1.930 1.143 1.00 0.00 O ATOM 635 CB ALA A 44 -15.809 -1.560 -1.843 1.00 0.00 C ATOM 0 H ALA A 44 -14.881 -3.809 -0.747 1.00 0.00 H new ATOM 0 HA ALA A 44 -13.704 -1.274 -1.746 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -16.025 -0.492 -1.845 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -15.776 -1.925 -2.869 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -16.590 -2.087 -1.295 1.00 0.00 H new ATOM 641 N TYR A 45 -13.781 -0.187 0.506 1.00 0.00 N ATOM 642 CA TYR A 45 -13.639 0.308 1.867 1.00 0.00 C ATOM 643 C TYR A 45 -13.170 1.761 1.882 1.00 0.00 C ATOM 644 O TYR A 45 -12.482 2.215 0.964 1.00 0.00 O ATOM 645 CB TYR A 45 -12.644 -0.576 2.633 1.00 0.00 C ATOM 646 CG TYR A 45 -12.621 -0.335 4.124 1.00 0.00 C ATOM 647 CD1 TYR A 45 -13.783 -0.418 4.878 1.00 0.00 C ATOM 648 CD2 TYR A 45 -11.439 -0.016 4.774 1.00 0.00 C ATOM 649 CE1 TYR A 45 -13.768 -0.185 6.239 1.00 0.00 C ATOM 650 CE2 TYR A 45 -11.413 0.216 6.134 1.00 0.00 C ATOM 651 CZ TYR A 45 -12.582 0.131 6.863 1.00 0.00 C ATOM 652 OH TYR A 45 -12.568 0.372 8.218 1.00 0.00 O ATOM 0 H TYR A 45 -13.309 0.371 -0.205 1.00 0.00 H new ATOM 0 HA TYR A 45 -14.614 0.267 2.352 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -12.889 -1.622 2.449 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -11.644 -0.408 2.234 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -14.714 -0.669 4.392 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -10.523 0.052 4.206 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -14.682 -0.250 6.811 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -10.483 0.463 6.625 1.00 0.00 H new ATOM 0 HH TYR A 45 -11.654 0.580 8.504 1.00 0.00 H new ATOM 661 N SER A 46 -13.496 2.460 2.963 1.00 0.00 N ATOM 662 CA SER A 46 -13.047 3.825 3.166 1.00 0.00 C ATOM 663 C SER A 46 -11.886 3.829 4.148 1.00 0.00 C ATOM 664 O SER A 46 -11.970 3.238 5.227 1.00 0.00 O ATOM 665 CB SER A 46 -14.194 4.687 3.701 1.00 0.00 C ATOM 666 OG SER A 46 -13.742 5.982 4.067 1.00 0.00 O ATOM 0 H SER A 46 -14.077 2.095 3.718 1.00 0.00 H new ATOM 0 HA SER A 46 -12.719 4.242 2.214 1.00 0.00 H new ATOM 0 HB2 SER A 46 -14.971 4.773 2.942 1.00 0.00 H new ATOM 0 HB3 SER A 46 -14.645 4.200 4.565 1.00 0.00 H new ATOM 0 HG SER A 46 -14.497 6.509 4.403 1.00 0.00 H new ATOM 671 N LEU A 47 -10.782 4.425 3.737 1.00 0.00 N ATOM 672 CA LEU A 47 -9.571 4.421 4.534 1.00 0.00 C ATOM 673 C LEU A 47 -9.255 5.808 5.068 1.00 0.00 C ATOM 674 O LEU A 47 -9.220 6.779 4.308 1.00 0.00 O ATOM 675 CB LEU A 47 -8.400 3.904 3.699 1.00 0.00 C ATOM 676 CG LEU A 47 -8.530 2.452 3.243 1.00 0.00 C ATOM 677 CD1 LEU A 47 -7.489 2.129 2.187 1.00 0.00 C ATOM 678 CD2 LEU A 47 -8.388 1.513 4.429 1.00 0.00 C ATOM 0 H LEU A 47 -10.700 4.921 2.850 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.730 3.760 5.386 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -8.292 4.538 2.819 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.484 4.007 4.281 1.00 0.00 H new ATOM 0 HG LEU A 47 -9.519 2.315 2.805 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.598 1.090 1.875 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.629 2.783 1.326 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.492 2.281 2.600 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -8.483 0.481 4.090 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -7.411 1.655 4.890 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -9.169 1.728 5.159 1.00 0.00 H new ATOM 689 N ALA A 48 -9.007 5.875 6.374 1.00 0.00 N ATOM 690 CA ALA A 48 -8.628 7.113 7.056 1.00 0.00 C ATOM 691 C ALA A 48 -9.633 8.234 6.810 1.00 0.00 C ATOM 692 O ALA A 48 -9.257 9.407 6.722 1.00 0.00 O ATOM 693 CB ALA A 48 -7.228 7.544 6.639 1.00 0.00 C ATOM 0 H ALA A 48 -9.063 5.067 6.994 1.00 0.00 H new ATOM 0 HA ALA A 48 -8.630 6.909 8.127 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -6.962 8.466 7.156 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.514 6.763 6.900 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.205 7.712 5.562 1.00 0.00 H new ATOM 699 N ASP A 49 -10.912 7.868 6.746 1.00 0.00 N ATOM 700 CA ASP A 49 -11.999 8.833 6.576 1.00 0.00 C ATOM 701 C ASP A 49 -11.776 9.716 5.355 1.00 0.00 C ATOM 702 O ASP A 49 -11.857 10.940 5.440 1.00 0.00 O ATOM 703 CB ASP A 49 -12.153 9.705 7.829 1.00 0.00 C ATOM 704 CG ASP A 49 -12.559 8.907 9.048 1.00 0.00 C ATOM 705 OD1 ASP A 49 -13.653 8.300 9.034 1.00 0.00 O ATOM 706 OD2 ASP A 49 -11.777 8.863 10.026 1.00 0.00 O ATOM 0 H ASP A 49 -11.224 6.899 6.810 1.00 0.00 H new ATOM 0 HA ASP A 49 -12.916 8.265 6.423 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -11.211 10.214 8.030 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -12.899 10.477 7.640 1.00 0.00 H new ATOM 710 N GLY A 50 -11.460 9.099 4.227 1.00 0.00 N ATOM 711 CA GLY A 50 -11.214 9.866 3.027 1.00 0.00 C ATOM 712 C GLY A 50 -11.232 9.017 1.778 1.00 0.00 C ATOM 713 O GLY A 50 -12.254 8.928 1.099 1.00 0.00 O ATOM 0 H GLY A 50 -11.370 8.088 4.122 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -11.968 10.649 2.940 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -10.247 10.362 3.110 1.00 0.00 H new ATOM 717 N THR A 51 -10.102 8.403 1.465 1.00 0.00 N ATOM 718 CA THR A 51 -9.990 7.592 0.264 1.00 0.00 C ATOM 719 C THR A 51 -10.915 6.383 0.338 1.00 0.00 C ATOM 720 O THR A 51 -10.830 5.585 1.272 1.00 0.00 O ATOM 721 CB THR A 51 -8.541 7.106 0.046 1.00 0.00 C ATOM 722 OG1 THR A 51 -8.150 6.229 1.110 1.00 0.00 O ATOM 723 CG2 THR A 51 -7.576 8.280 -0.031 1.00 0.00 C ATOM 0 H THR A 51 -9.251 8.451 2.025 1.00 0.00 H new ATOM 0 HA THR A 51 -10.282 8.222 -0.576 1.00 0.00 H new ATOM 0 HB THR A 51 -8.505 6.567 -0.901 1.00 0.00 H new ATOM 0 HG1 THR A 51 -8.949 5.879 1.556 1.00 0.00 H new ATOM 0 HG21 THR A 51 -6.563 7.909 -0.185 1.00 0.00 H new ATOM 0 HG22 THR A 51 -7.856 8.927 -0.863 1.00 0.00 H new ATOM 0 HG23 THR A 51 -7.617 8.847 0.899 1.00 0.00 H new ATOM 731 N GLU A 52 -11.735 6.198 -0.684 1.00 0.00 N ATOM 732 CA GLU A 52 -12.593 5.036 -0.754 1.00 0.00 C ATOM 733 C GLU A 52 -12.182 4.199 -1.942 1.00 0.00 C ATOM 734 O GLU A 52 -12.457 4.563 -3.085 1.00 0.00 O ATOM 735 CB GLU A 52 -14.058 5.451 -0.855 1.00 0.00 C ATOM 736 CG GLU A 52 -14.580 6.118 0.406 1.00 0.00 C ATOM 737 CD GLU A 52 -16.030 6.529 0.299 1.00 0.00 C ATOM 738 OE1 GLU A 52 -16.874 5.676 -0.048 1.00 0.00 O ATOM 739 OE2 GLU A 52 -16.340 7.702 0.584 1.00 0.00 O ATOM 0 H GLU A 52 -11.821 6.839 -1.473 1.00 0.00 H new ATOM 0 HA GLU A 52 -12.486 4.446 0.156 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -14.178 6.134 -1.696 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -14.664 4.571 -1.070 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -14.463 5.435 1.247 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -13.974 6.997 0.623 1.00 0.00 H new ATOM 744 N LEU A 53 -11.346 3.209 -1.676 1.00 0.00 N ATOM 745 CA LEU A 53 -10.746 2.420 -2.737 1.00 0.00 C ATOM 746 C LEU A 53 -11.400 1.050 -2.850 1.00 0.00 C ATOM 747 O LEU A 53 -11.383 0.257 -1.907 1.00 0.00 O ATOM 748 CB LEU A 53 -9.236 2.258 -2.509 1.00 0.00 C ATOM 749 CG LEU A 53 -8.351 3.409 -3.013 1.00 0.00 C ATOM 750 CD1 LEU A 53 -8.652 4.698 -2.273 1.00 0.00 C ATOM 751 CD2 LEU A 53 -6.879 3.054 -2.863 1.00 0.00 C ATOM 0 H LEU A 53 -11.068 2.933 -0.734 1.00 0.00 H new ATOM 0 HA LEU A 53 -10.909 2.957 -3.672 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.061 2.133 -1.440 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -8.912 1.338 -2.995 1.00 0.00 H new ATOM 0 HG LEU A 53 -8.574 3.562 -4.069 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -8.010 5.493 -2.652 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -9.696 4.970 -2.426 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.466 4.558 -1.208 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.267 3.880 -3.225 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.655 2.869 -1.813 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.660 2.158 -3.444 1.00 0.00 H new ATOM 762 N THR A 54 -11.899 0.757 -4.037 1.00 0.00 N ATOM 763 CA THR A 54 -12.448 -0.549 -4.348 1.00 0.00 C ATOM 764 C THR A 54 -11.443 -1.305 -5.201 1.00 0.00 C ATOM 765 O THR A 54 -11.185 -0.910 -6.337 1.00 0.00 O ATOM 766 CB THR A 54 -13.759 -0.413 -5.141 1.00 0.00 C ATOM 767 OG1 THR A 54 -14.602 0.581 -4.541 1.00 0.00 O ATOM 768 CG2 THR A 54 -14.498 -1.739 -5.208 1.00 0.00 C ATOM 0 H THR A 54 -11.935 1.418 -4.813 1.00 0.00 H new ATOM 0 HA THR A 54 -12.650 -1.079 -3.417 1.00 0.00 H new ATOM 0 HB THR A 54 -13.506 -0.107 -6.156 1.00 0.00 H new ATOM 0 HG1 THR A 54 -15.432 0.660 -5.056 1.00 0.00 H new ATOM 0 HG21 THR A 54 -15.421 -1.613 -5.774 1.00 0.00 H new ATOM 0 HG22 THR A 54 -13.869 -2.482 -5.699 1.00 0.00 H new ATOM 0 HG23 THR A 54 -14.735 -2.075 -4.198 1.00 0.00 H new ATOM 776 N GLY A 55 -10.768 -2.292 -4.637 1.00 0.00 N ATOM 777 CA GLY A 55 -9.693 -2.903 -5.381 1.00 0.00 C ATOM 778 C GLY A 55 -9.296 -4.280 -4.910 1.00 0.00 C ATOM 779 O GLY A 55 -9.649 -4.708 -3.810 1.00 0.00 O ATOM 0 H GLY A 55 -10.938 -2.671 -3.706 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -9.985 -2.964 -6.429 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.820 -2.252 -5.331 1.00 0.00 H new ATOM 783 N THR A 56 -8.539 -4.956 -5.763 1.00 0.00 N ATOM 784 CA THR A 56 -8.029 -6.287 -5.490 1.00 0.00 C ATOM 785 C THR A 56 -6.500 -6.263 -5.497 1.00 0.00 C ATOM 786 O THR A 56 -5.890 -5.441 -6.193 1.00 0.00 O ATOM 787 CB THR A 56 -8.546 -7.306 -6.534 1.00 0.00 C ATOM 788 OG1 THR A 56 -8.123 -8.636 -6.199 1.00 0.00 O ATOM 789 CG2 THR A 56 -8.063 -6.954 -7.936 1.00 0.00 C ATOM 0 H THR A 56 -8.260 -4.589 -6.673 1.00 0.00 H new ATOM 0 HA THR A 56 -8.385 -6.598 -4.508 1.00 0.00 H new ATOM 0 HB THR A 56 -9.635 -7.263 -6.520 1.00 0.00 H new ATOM 0 HG1 THR A 56 -8.461 -9.265 -6.870 1.00 0.00 H new ATOM 0 HG21 THR A 56 -8.443 -7.688 -8.647 1.00 0.00 H new ATOM 0 HG22 THR A 56 -8.427 -5.963 -8.208 1.00 0.00 H new ATOM 0 HG23 THR A 56 -6.973 -6.958 -7.957 1.00 0.00 H new ATOM 797 N TRP A 57 -5.887 -7.056 -4.629 1.00 0.00 N ATOM 798 CA TRP A 57 -4.441 -7.032 -4.471 1.00 0.00 C ATOM 799 C TRP A 57 -3.836 -8.420 -4.679 1.00 0.00 C ATOM 800 O TRP A 57 -4.352 -9.407 -4.156 1.00 0.00 O ATOM 801 CB TRP A 57 -4.097 -6.527 -3.075 1.00 0.00 C ATOM 802 CG TRP A 57 -2.645 -6.243 -2.880 1.00 0.00 C ATOM 803 CD1 TRP A 57 -1.780 -6.926 -2.082 1.00 0.00 C ATOM 804 CD2 TRP A 57 -1.893 -5.187 -3.479 1.00 0.00 C ATOM 805 NE1 TRP A 57 -0.538 -6.352 -2.135 1.00 0.00 N ATOM 806 CE2 TRP A 57 -0.579 -5.284 -2.992 1.00 0.00 C ATOM 807 CE3 TRP A 57 -2.201 -4.169 -4.382 1.00 0.00 C ATOM 808 CZ2 TRP A 57 0.423 -4.396 -3.370 1.00 0.00 C ATOM 809 CZ3 TRP A 57 -1.208 -3.290 -4.759 1.00 0.00 C ATOM 810 CH2 TRP A 57 0.092 -3.410 -4.256 1.00 0.00 C ATOM 0 H TRP A 57 -6.368 -7.722 -4.025 1.00 0.00 H new ATOM 0 HA TRP A 57 -4.023 -6.366 -5.225 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -4.666 -5.618 -2.877 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -4.415 -7.268 -2.342 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -2.036 -7.794 -1.493 1.00 0.00 H new ATOM 0 HE1 TRP A 57 0.284 -6.668 -1.620 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -3.201 -4.071 -4.779 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 1.425 -4.483 -2.978 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -1.437 -2.496 -5.454 1.00 0.00 H new ATOM 0 HH2 TRP A 57 0.849 -2.709 -4.575 1.00 0.00 H new ATOM 820 N THR A 58 -2.701 -8.485 -5.377 1.00 0.00 N ATOM 821 CA THR A 58 -2.000 -9.748 -5.579 1.00 0.00 C ATOM 822 C THR A 58 -0.490 -9.538 -5.523 1.00 0.00 C ATOM 823 O THR A 58 0.053 -8.684 -6.226 1.00 0.00 O ATOM 824 CB THR A 58 -2.355 -10.396 -6.938 1.00 0.00 C ATOM 825 OG1 THR A 58 -2.075 -9.481 -8.007 1.00 0.00 O ATOM 826 CG2 THR A 58 -3.817 -10.815 -6.996 1.00 0.00 C ATOM 0 H THR A 58 -2.251 -7.678 -5.810 1.00 0.00 H new ATOM 0 HA THR A 58 -2.319 -10.414 -4.777 1.00 0.00 H new ATOM 0 HB THR A 58 -1.742 -11.290 -7.047 1.00 0.00 H new ATOM 0 HG1 THR A 58 -1.682 -8.661 -7.641 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.028 -11.266 -7.966 1.00 0.00 H new ATOM 0 HG22 THR A 58 -4.019 -11.539 -6.207 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.452 -9.940 -6.857 1.00 0.00 H new ATOM 834 N MET A 59 0.194 -10.376 -4.762 1.00 0.00 N ATOM 835 CA MET A 59 1.647 -10.352 -4.734 1.00 0.00 C ATOM 836 C MET A 59 2.181 -11.536 -5.517 1.00 0.00 C ATOM 837 O MET A 59 1.964 -12.688 -5.140 1.00 0.00 O ATOM 838 CB MET A 59 2.171 -10.393 -3.300 1.00 0.00 C ATOM 839 CG MET A 59 3.685 -10.271 -3.198 1.00 0.00 C ATOM 840 SD MET A 59 4.257 -10.182 -1.490 1.00 0.00 S ATOM 841 CE MET A 59 5.999 -9.850 -1.739 1.00 0.00 C ATOM 0 H MET A 59 -0.231 -11.079 -4.157 1.00 0.00 H new ATOM 0 HA MET A 59 1.990 -9.423 -5.189 1.00 0.00 H new ATOM 0 HB2 MET A 59 1.711 -9.585 -2.731 1.00 0.00 H new ATOM 0 HB3 MET A 59 1.859 -11.328 -2.835 1.00 0.00 H new ATOM 0 HG2 MET A 59 4.149 -11.126 -3.689 1.00 0.00 H new ATOM 0 HG3 MET A 59 4.011 -9.380 -3.734 1.00 0.00 H new ATOM 0 HE1 MET A 59 6.373 -9.234 -0.921 1.00 0.00 H new ATOM 0 HE2 MET A 59 6.549 -10.791 -1.765 1.00 0.00 H new ATOM 0 HE3 MET A 59 6.138 -9.322 -2.683 1.00 0.00 H new ATOM 849 N GLU A 60 2.868 -11.248 -6.604 1.00 0.00 N ATOM 850 CA GLU A 60 3.431 -12.285 -7.444 1.00 0.00 C ATOM 851 C GLU A 60 4.927 -12.365 -7.197 1.00 0.00 C ATOM 852 O GLU A 60 5.663 -11.429 -7.510 1.00 0.00 O ATOM 853 CB GLU A 60 3.138 -11.978 -8.911 1.00 0.00 C ATOM 854 CG GLU A 60 1.670 -11.695 -9.193 1.00 0.00 C ATOM 855 CD GLU A 60 1.416 -11.344 -10.643 1.00 0.00 C ATOM 856 OE1 GLU A 60 2.383 -11.330 -11.432 1.00 0.00 O ATOM 857 OE2 GLU A 60 0.253 -11.077 -11.001 1.00 0.00 O ATOM 0 H GLU A 60 3.050 -10.298 -6.928 1.00 0.00 H new ATOM 0 HA GLU A 60 2.980 -13.247 -7.201 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.731 -11.117 -9.219 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.461 -12.821 -9.521 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.077 -12.569 -8.925 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.333 -10.874 -8.559 1.00 0.00 H new ATOM 862 N GLY A 61 5.338 -13.391 -6.468 1.00 0.00 N ATOM 863 CA GLY A 61 6.706 -13.455 -6.004 1.00 0.00 C ATOM 864 C GLY A 61 6.989 -12.344 -5.014 1.00 0.00 C ATOM 865 O GLY A 61 6.262 -12.181 -4.034 1.00 0.00 O ATOM 0 H GLY A 61 4.751 -14.177 -6.191 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.891 -14.422 -5.536 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.387 -13.375 -6.852 1.00 0.00 H new ATOM 869 N ASN A 62 7.952 -11.500 -5.341 1.00 0.00 N ATOM 870 CA ASN A 62 8.228 -10.309 -4.546 1.00 0.00 C ATOM 871 C ASN A 62 7.836 -9.058 -5.327 1.00 0.00 C ATOM 872 O ASN A 62 8.443 -7.998 -5.177 1.00 0.00 O ATOM 873 CB ASN A 62 9.705 -10.253 -4.127 1.00 0.00 C ATOM 874 CG ASN A 62 10.673 -10.342 -5.296 1.00 0.00 C ATOM 875 OD1 ASN A 62 10.770 -9.435 -6.123 1.00 0.00 O ATOM 876 ND2 ASN A 62 11.397 -11.446 -5.372 1.00 0.00 N ATOM 0 H ASN A 62 8.559 -11.615 -6.153 1.00 0.00 H new ATOM 0 HA ASN A 62 7.630 -10.355 -3.636 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.886 -9.324 -3.586 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.909 -11.070 -3.434 1.00 0.00 H new ATOM 0 HD21 ASN A 62 12.063 -11.567 -6.135 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.289 -12.176 -4.668 1.00 0.00 H new ATOM 882 N LYS A 63 6.752 -9.172 -6.082 1.00 0.00 N ATOM 883 CA LYS A 63 6.209 -8.061 -6.845 1.00 0.00 C ATOM 884 C LYS A 63 4.790 -7.781 -6.405 1.00 0.00 C ATOM 885 O LYS A 63 4.011 -8.698 -6.151 1.00 0.00 O ATOM 886 CB LYS A 63 6.227 -8.345 -8.352 1.00 0.00 C ATOM 887 CG LYS A 63 7.520 -7.942 -9.051 1.00 0.00 C ATOM 888 CD LYS A 63 8.677 -8.864 -8.701 1.00 0.00 C ATOM 889 CE LYS A 63 8.454 -10.265 -9.244 1.00 0.00 C ATOM 890 NZ LYS A 63 8.342 -10.273 -10.727 1.00 0.00 N ATOM 0 H LYS A 63 6.225 -10.040 -6.182 1.00 0.00 H new ATOM 0 HA LYS A 63 6.838 -7.191 -6.656 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.058 -9.410 -8.511 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.395 -7.817 -8.819 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.365 -7.951 -10.130 1.00 0.00 H new ATOM 0 HG3 LYS A 63 7.777 -6.919 -8.774 1.00 0.00 H new ATOM 0 HD2 LYS A 63 9.603 -8.458 -9.107 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.796 -8.907 -7.618 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.279 -10.908 -8.939 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.546 -10.683 -8.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.462 -11.244 -11.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.406 -9.917 -11.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 9.080 -9.663 -11.134 1.00 0.00 H new ATOM 900 N LEU A 64 4.491 -6.518 -6.237 1.00 0.00 N ATOM 901 CA LEU A 64 3.201 -6.097 -5.749 1.00 0.00 C ATOM 902 C LEU A 64 2.461 -5.323 -6.820 1.00 0.00 C ATOM 903 O LEU A 64 2.902 -4.253 -7.244 1.00 0.00 O ATOM 904 CB LEU A 64 3.413 -5.258 -4.496 1.00 0.00 C ATOM 905 CG LEU A 64 3.983 -6.045 -3.321 1.00 0.00 C ATOM 906 CD1 LEU A 64 4.584 -5.101 -2.296 1.00 0.00 C ATOM 907 CD2 LEU A 64 2.901 -6.900 -2.686 1.00 0.00 C ATOM 0 H LEU A 64 5.135 -5.752 -6.435 1.00 0.00 H new ATOM 0 HA LEU A 64 2.588 -6.963 -5.499 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.087 -4.434 -4.731 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.461 -4.817 -4.199 1.00 0.00 H new ATOM 0 HG LEU A 64 4.771 -6.701 -3.690 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.987 -5.677 -1.463 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.384 -4.523 -2.759 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.813 -4.423 -1.929 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.322 -7.457 -1.849 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.095 -6.260 -2.328 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.509 -7.598 -3.425 1.00 0.00 H new ATOM 918 N VAL A 65 1.390 -5.921 -7.318 1.00 0.00 N ATOM 919 CA VAL A 65 0.620 -5.344 -8.409 1.00 0.00 C ATOM 920 C VAL A 65 -0.868 -5.582 -8.175 1.00 0.00 C ATOM 921 O VAL A 65 -1.281 -6.688 -7.829 1.00 0.00 O ATOM 922 CB VAL A 65 1.018 -5.954 -9.780 1.00 0.00 C ATOM 923 CG1 VAL A 65 0.164 -5.380 -10.903 1.00 0.00 C ATOM 924 CG2 VAL A 65 2.492 -5.727 -10.078 1.00 0.00 C ATOM 0 H VAL A 65 1.032 -6.814 -6.980 1.00 0.00 H new ATOM 0 HA VAL A 65 0.835 -4.276 -8.432 1.00 0.00 H new ATOM 0 HB VAL A 65 0.840 -7.028 -9.721 1.00 0.00 H new ATOM 0 HG11 VAL A 65 0.464 -5.825 -11.852 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.886 -5.604 -10.713 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.302 -4.300 -10.949 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.740 -6.166 -11.045 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.698 -4.657 -10.102 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.097 -6.196 -9.301 1.00 0.00 H new ATOM 934 N GLY A 66 -1.666 -4.548 -8.371 1.00 0.00 N ATOM 935 CA GLY A 66 -3.094 -4.680 -8.206 1.00 0.00 C ATOM 936 C GLY A 66 -3.834 -3.538 -8.852 1.00 0.00 C ATOM 937 O GLY A 66 -3.359 -2.967 -9.833 1.00 0.00 O ATOM 0 H GLY A 66 -1.349 -3.617 -8.642 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.426 -5.622 -8.642 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.336 -4.717 -7.144 1.00 0.00 H new ATOM 941 N LYS A 67 -4.966 -3.173 -8.280 1.00 0.00 N ATOM 942 CA LYS A 67 -5.758 -2.068 -8.789 1.00 0.00 C ATOM 943 C LYS A 67 -6.786 -1.654 -7.753 1.00 0.00 C ATOM 944 O LYS A 67 -7.510 -2.496 -7.230 1.00 0.00 O ATOM 945 CB LYS A 67 -6.470 -2.468 -10.083 1.00 0.00 C ATOM 946 CG LYS A 67 -7.324 -1.356 -10.664 1.00 0.00 C ATOM 947 CD LYS A 67 -8.229 -1.865 -11.770 1.00 0.00 C ATOM 948 CE LYS A 67 -9.111 -0.757 -12.306 1.00 0.00 C ATOM 949 NZ LYS A 67 -10.078 -1.253 -13.317 1.00 0.00 N ATOM 0 H LYS A 67 -5.360 -3.629 -7.457 1.00 0.00 H new ATOM 0 HA LYS A 67 -5.091 -1.231 -8.999 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.727 -2.770 -10.821 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.099 -3.337 -9.890 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -7.929 -0.911 -9.874 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.680 -0.568 -11.054 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.624 -2.276 -12.578 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -8.850 -2.677 -11.391 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.654 -0.296 -11.481 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.488 0.019 -12.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.661 -0.462 -13.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.561 -1.670 -14.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -10.691 -1.975 -12.887 1.00 0.00 H new ATOM 959 N PHE A 68 -6.868 -0.362 -7.484 1.00 0.00 N ATOM 960 CA PHE A 68 -7.845 0.157 -6.543 1.00 0.00 C ATOM 961 C PHE A 68 -8.577 1.342 -7.152 1.00 0.00 C ATOM 962 O PHE A 68 -8.008 2.101 -7.935 1.00 0.00 O ATOM 963 CB PHE A 68 -7.191 0.575 -5.221 1.00 0.00 C ATOM 964 CG PHE A 68 -6.595 -0.559 -4.436 1.00 0.00 C ATOM 965 CD1 PHE A 68 -5.382 -1.115 -4.802 1.00 0.00 C ATOM 966 CD2 PHE A 68 -7.257 -1.070 -3.331 1.00 0.00 C ATOM 967 CE1 PHE A 68 -4.840 -2.159 -4.083 1.00 0.00 C ATOM 968 CE2 PHE A 68 -6.718 -2.115 -2.608 1.00 0.00 C ATOM 969 CZ PHE A 68 -5.507 -2.661 -2.984 1.00 0.00 C ATOM 0 H PHE A 68 -6.268 0.348 -7.905 1.00 0.00 H new ATOM 0 HA PHE A 68 -8.555 -0.642 -6.329 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -6.409 1.305 -5.432 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -7.937 1.076 -4.603 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -4.854 -0.727 -5.660 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -8.204 -0.646 -3.032 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.893 -2.584 -4.380 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -7.243 -2.505 -1.749 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.083 -3.478 -2.420 1.00 0.00 H new ATOM 978 N LYS A 69 -9.861 1.426 -6.877 1.00 0.00 N ATOM 979 CA LYS A 69 -10.708 2.453 -7.454 1.00 0.00 C ATOM 980 C LYS A 69 -11.005 3.532 -6.415 1.00 0.00 C ATOM 981 O LYS A 69 -11.698 3.272 -5.436 1.00 0.00 O ATOM 982 CB LYS A 69 -12.000 1.791 -7.952 1.00 0.00 C ATOM 983 CG LYS A 69 -12.984 2.730 -8.617 1.00 0.00 C ATOM 984 CD LYS A 69 -13.931 1.968 -9.526 1.00 0.00 C ATOM 985 CE LYS A 69 -14.808 2.911 -10.323 1.00 0.00 C ATOM 986 NZ LYS A 69 -15.753 3.657 -9.451 1.00 0.00 N ATOM 0 H LYS A 69 -10.348 0.787 -6.249 1.00 0.00 H new ATOM 0 HA LYS A 69 -10.205 2.934 -8.292 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -11.738 1.003 -8.658 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -12.493 1.310 -7.107 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -13.554 3.264 -7.857 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -12.444 3.480 -9.195 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -13.357 1.339 -10.207 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -14.556 1.304 -8.929 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -14.181 3.617 -10.867 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -15.369 2.345 -11.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -16.645 3.815 -9.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -15.940 3.105 -8.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -15.336 4.574 -9.191 1.00 0.00 H new ATOM 996 N ARG A 70 -10.476 4.739 -6.626 1.00 0.00 N ATOM 997 CA ARG A 70 -10.678 5.837 -5.687 1.00 0.00 C ATOM 998 C ARG A 70 -11.861 6.673 -6.149 1.00 0.00 C ATOM 999 O ARG A 70 -11.700 7.795 -6.626 1.00 0.00 O ATOM 1000 CB ARG A 70 -9.400 6.687 -5.564 1.00 0.00 C ATOM 1001 CG ARG A 70 -9.344 7.564 -4.311 1.00 0.00 C ATOM 1002 CD ARG A 70 -9.900 8.959 -4.560 1.00 0.00 C ATOM 1003 NE ARG A 70 -10.008 9.760 -3.334 1.00 0.00 N ATOM 1004 CZ ARG A 70 -8.981 10.339 -2.703 1.00 0.00 C ATOM 1005 NH1 ARG A 70 -7.743 10.220 -3.164 1.00 0.00 N ATOM 1006 NH2 ARG A 70 -9.210 11.048 -1.605 1.00 0.00 N ATOM 0 H ARG A 70 -9.906 4.978 -7.438 1.00 0.00 H new ATOM 0 HA ARG A 70 -10.895 5.438 -4.696 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -8.535 6.024 -5.568 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -9.316 7.325 -6.444 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -9.909 7.087 -3.510 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -8.312 7.642 -3.970 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -9.258 9.478 -5.272 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -10.884 8.875 -5.021 1.00 0.00 H new ATOM 0 HE ARG A 70 -10.938 9.884 -2.933 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -7.564 9.681 -4.011 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -6.970 10.668 -2.671 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -10.161 11.147 -1.251 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -8.435 11.494 -1.115 1.00 0.00 H new ATOM 1017 N VAL A 71 -13.044 6.083 -6.062 1.00 0.00 N ATOM 1018 CA VAL A 71 -14.268 6.716 -6.548 1.00 0.00 C ATOM 1019 C VAL A 71 -14.568 7.990 -5.760 1.00 0.00 C ATOM 1020 O VAL A 71 -15.206 8.913 -6.262 1.00 0.00 O ATOM 1021 CB VAL A 71 -15.470 5.746 -6.473 1.00 0.00 C ATOM 1022 CG1 VAL A 71 -15.751 5.328 -5.037 1.00 0.00 C ATOM 1023 CG2 VAL A 71 -16.709 6.361 -7.109 1.00 0.00 C ATOM 0 H VAL A 71 -13.186 5.158 -5.656 1.00 0.00 H new ATOM 0 HA VAL A 71 -14.109 6.980 -7.594 1.00 0.00 H new ATOM 0 HB VAL A 71 -15.208 4.851 -7.038 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -16.601 4.646 -5.016 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -14.874 4.828 -4.626 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -15.979 6.210 -4.439 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -17.539 5.658 -7.043 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -16.969 7.280 -6.584 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -16.507 6.586 -8.156 1.00 0.00 H new ATOM 1033 N ASP A 72 -14.046 8.036 -4.536 1.00 0.00 N ATOM 1034 CA ASP A 72 -14.194 9.188 -3.646 1.00 0.00 C ATOM 1035 C ASP A 72 -13.848 10.503 -4.343 1.00 0.00 C ATOM 1036 O ASP A 72 -14.475 11.532 -4.090 1.00 0.00 O ATOM 1037 CB ASP A 72 -13.294 9.001 -2.422 1.00 0.00 C ATOM 1038 CG ASP A 72 -13.089 10.282 -1.645 1.00 0.00 C ATOM 1039 OD1 ASP A 72 -14.069 10.814 -1.086 1.00 0.00 O ATOM 1040 OD2 ASP A 72 -11.943 10.771 -1.604 1.00 0.00 O ATOM 0 H ASP A 72 -13.506 7.272 -4.131 1.00 0.00 H new ATOM 0 HA ASP A 72 -15.240 9.244 -3.344 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -13.732 8.249 -1.766 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -12.326 8.617 -2.744 1.00 0.00 H new ATOM 1044 N ASN A 73 -12.864 10.463 -5.232 1.00 0.00 N ATOM 1045 CA ASN A 73 -12.453 11.661 -5.955 1.00 0.00 C ATOM 1046 C ASN A 73 -12.359 11.406 -7.455 1.00 0.00 C ATOM 1047 O ASN A 73 -12.729 12.263 -8.257 1.00 0.00 O ATOM 1048 CB ASN A 73 -11.106 12.171 -5.434 1.00 0.00 C ATOM 1049 CG ASN A 73 -10.627 13.411 -6.170 1.00 0.00 C ATOM 1050 OD1 ASN A 73 -11.268 14.460 -6.133 1.00 0.00 O ATOM 1051 ND2 ASN A 73 -9.496 13.299 -6.849 1.00 0.00 N ATOM 0 H ASN A 73 -12.339 9.621 -5.469 1.00 0.00 H new ATOM 0 HA ASN A 73 -13.216 12.420 -5.784 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -11.193 12.395 -4.371 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -10.360 11.383 -5.534 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -9.129 14.099 -7.364 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -8.991 12.413 -6.857 1.00 0.00 H new ATOM 1057 N GLY A 74 -11.825 10.253 -7.839 1.00 0.00 N ATOM 1058 CA GLY A 74 -11.628 9.979 -9.240 1.00 0.00 C ATOM 1059 C GLY A 74 -12.147 8.623 -9.640 1.00 0.00 C ATOM 1060 O GLY A 74 -13.358 8.424 -9.756 1.00 0.00 O ATOM 0 H GLY A 74 -11.528 9.510 -7.206 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -12.129 10.745 -9.831 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -10.565 10.041 -9.473 1.00 0.00 H new ATOM 1064 N LYS A 75 -11.233 7.726 -9.961 1.00 0.00 N ATOM 1065 CA LYS A 75 -11.605 6.447 -10.526 1.00 0.00 C ATOM 1066 C LYS A 75 -10.602 5.346 -10.195 1.00 0.00 C ATOM 1067 O LYS A 75 -10.990 4.201 -10.031 1.00 0.00 O ATOM 1068 CB LYS A 75 -11.745 6.598 -12.046 1.00 0.00 C ATOM 1069 CG LYS A 75 -11.723 5.291 -12.827 1.00 0.00 C ATOM 1070 CD LYS A 75 -11.896 5.516 -14.328 1.00 0.00 C ATOM 1071 CE LYS A 75 -10.981 6.614 -14.861 1.00 0.00 C ATOM 1072 NZ LYS A 75 -9.539 6.344 -14.602 1.00 0.00 N ATOM 0 H LYS A 75 -10.229 7.861 -9.839 1.00 0.00 H new ATOM 0 HA LYS A 75 -12.555 6.146 -10.084 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -12.680 7.116 -12.260 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -10.938 7.234 -12.409 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.780 4.776 -12.644 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -12.518 4.639 -12.465 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.690 4.586 -14.858 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -12.933 5.778 -14.536 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.138 6.722 -15.934 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.256 7.564 -14.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -9.218 6.917 -13.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -9.408 5.335 -14.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -8.983 6.591 -15.445 1.00 0.00 H new ATOM 1082 N GLU A 76 -9.312 5.654 -10.190 1.00 0.00 N ATOM 1083 CA GLU A 76 -8.310 4.607 -10.049 1.00 0.00 C ATOM 1084 C GLU A 76 -7.060 5.109 -9.364 1.00 0.00 C ATOM 1085 O GLU A 76 -6.335 5.939 -9.907 1.00 0.00 O ATOM 1086 CB GLU A 76 -7.930 4.057 -11.422 1.00 0.00 C ATOM 1087 CG GLU A 76 -9.044 3.273 -12.105 1.00 0.00 C ATOM 1088 CD GLU A 76 -8.751 2.970 -13.555 1.00 0.00 C ATOM 1089 OE1 GLU A 76 -8.511 3.920 -14.329 1.00 0.00 O ATOM 1090 OE2 GLU A 76 -8.779 1.785 -13.935 1.00 0.00 O ATOM 0 H GLU A 76 -8.940 6.600 -10.280 1.00 0.00 H new ATOM 0 HA GLU A 76 -8.750 3.823 -9.433 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.636 4.886 -12.066 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.058 3.412 -11.315 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -9.203 2.337 -11.569 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -9.973 3.840 -12.039 1.00 0.00 H new ATOM 1095 N LEU A 77 -6.716 4.448 -8.279 1.00 0.00 N ATOM 1096 CA LEU A 77 -5.466 4.691 -7.600 1.00 0.00 C ATOM 1097 C LEU A 77 -4.773 3.359 -7.348 1.00 0.00 C ATOM 1098 O LEU A 77 -5.329 2.473 -6.706 1.00 0.00 O ATOM 1099 CB LEU A 77 -5.721 5.436 -6.291 1.00 0.00 C ATOM 1100 CG LEU A 77 -4.494 5.613 -5.387 1.00 0.00 C ATOM 1101 CD1 LEU A 77 -3.451 6.499 -6.051 1.00 0.00 C ATOM 1102 CD2 LEU A 77 -4.899 6.183 -4.035 1.00 0.00 C ATOM 0 H LEU A 77 -7.295 3.729 -7.846 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.819 5.313 -8.218 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -6.124 6.421 -6.526 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -6.489 4.902 -5.732 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.050 4.630 -5.226 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.592 6.608 -5.389 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.131 6.045 -6.989 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.881 7.480 -6.252 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.014 6.300 -3.410 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.374 7.154 -4.177 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.599 5.504 -3.549 1.00 0.00 H new ATOM 1113 N ILE A 78 -3.651 3.159 -8.010 1.00 0.00 N ATOM 1114 CA ILE A 78 -2.988 1.870 -8.003 1.00 0.00 C ATOM 1115 C ILE A 78 -1.588 1.977 -7.411 1.00 0.00 C ATOM 1116 O ILE A 78 -0.787 2.805 -7.839 1.00 0.00 O ATOM 1117 CB ILE A 78 -2.890 1.303 -9.436 1.00 0.00 C ATOM 1118 CG1 ILE A 78 -4.280 1.223 -10.077 1.00 0.00 C ATOM 1119 CG2 ILE A 78 -2.229 -0.068 -9.425 1.00 0.00 C ATOM 1120 CD1 ILE A 78 -4.259 0.801 -11.531 1.00 0.00 C ATOM 0 H ILE A 78 -3.178 3.875 -8.561 1.00 0.00 H new ATOM 0 HA ILE A 78 -3.584 1.198 -7.385 1.00 0.00 H new ATOM 0 HB ILE A 78 -2.273 1.977 -10.031 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -4.890 0.518 -9.512 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -4.763 2.197 -9.998 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -2.169 -0.451 -10.444 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.225 0.015 -9.009 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.819 -0.752 -8.814 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -5.279 0.767 -11.915 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.677 1.518 -12.110 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -3.806 -0.187 -11.617 1.00 0.00 H new ATOM 1131 N ALA A 79 -1.267 1.074 -6.499 1.00 0.00 N ATOM 1132 CA ALA A 79 0.074 0.995 -5.951 1.00 0.00 C ATOM 1133 C ALA A 79 0.789 -0.209 -6.549 1.00 0.00 C ATOM 1134 O ALA A 79 0.231 -1.302 -6.595 1.00 0.00 O ATOM 1135 CB ALA A 79 0.025 0.891 -4.435 1.00 0.00 C ATOM 0 H ALA A 79 -1.919 0.385 -6.123 1.00 0.00 H new ATOM 0 HA ALA A 79 0.623 1.902 -6.206 1.00 0.00 H new ATOM 0 HB1 ALA A 79 1.040 0.833 -4.041 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.473 1.770 -4.026 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -0.527 -0.004 -4.149 1.00 0.00 H new ATOM 1141 N VAL A 80 1.982 0.006 -7.077 1.00 0.00 N ATOM 1142 CA VAL A 80 2.735 -1.069 -7.720 1.00 0.00 C ATOM 1143 C VAL A 80 4.215 -0.955 -7.388 1.00 0.00 C ATOM 1144 O VAL A 80 4.849 0.054 -7.710 1.00 0.00 O ATOM 1145 CB VAL A 80 2.573 -1.043 -9.263 1.00 0.00 C ATOM 1146 CG1 VAL A 80 3.467 -2.085 -9.921 1.00 0.00 C ATOM 1147 CG2 VAL A 80 1.123 -1.266 -9.672 1.00 0.00 C ATOM 0 H VAL A 80 2.453 0.911 -7.076 1.00 0.00 H new ATOM 0 HA VAL A 80 2.334 -2.008 -7.338 1.00 0.00 H new ATOM 0 HB VAL A 80 2.877 -0.054 -9.606 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.335 -2.047 -11.002 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.509 -1.878 -9.675 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.198 -3.077 -9.558 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.044 -1.242 -10.759 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.786 -2.236 -9.305 1.00 0.00 H new ATOM 0 HG23 VAL A 80 0.500 -0.480 -9.245 1.00 0.00 H new ATOM 1157 N ARG A 81 4.781 -2.004 -6.795 1.00 0.00 N ATOM 1158 CA ARG A 81 6.210 -2.026 -6.519 1.00 0.00 C ATOM 1159 C ARG A 81 6.693 -3.418 -6.133 1.00 0.00 C ATOM 1160 O ARG A 81 5.942 -4.217 -5.587 1.00 0.00 O ATOM 1161 CB ARG A 81 6.577 -1.037 -5.419 1.00 0.00 C ATOM 1162 CG ARG A 81 8.023 -0.587 -5.507 1.00 0.00 C ATOM 1163 CD ARG A 81 8.239 0.319 -6.703 1.00 0.00 C ATOM 1164 NE ARG A 81 9.642 0.376 -7.108 1.00 0.00 N ATOM 1165 CZ ARG A 81 10.071 1.000 -8.205 1.00 0.00 C ATOM 1166 NH1 ARG A 81 9.198 1.548 -9.041 1.00 0.00 N ATOM 1167 NH2 ARG A 81 11.365 1.038 -8.496 1.00 0.00 N ATOM 0 H ARG A 81 4.276 -2.840 -6.500 1.00 0.00 H new ATOM 0 HA ARG A 81 6.708 -1.732 -7.443 1.00 0.00 H new ATOM 0 HB2 ARG A 81 5.924 -0.167 -5.483 1.00 0.00 H new ATOM 0 HB3 ARG A 81 6.401 -1.497 -4.447 1.00 0.00 H new ATOM 0 HG2 ARG A 81 8.300 -0.061 -4.593 1.00 0.00 H new ATOM 0 HG3 ARG A 81 8.674 -1.458 -5.584 1.00 0.00 H new ATOM 0 HD2 ARG A 81 7.636 -0.036 -7.539 1.00 0.00 H new ATOM 0 HD3 ARG A 81 7.891 1.324 -6.463 1.00 0.00 H new ATOM 0 HE ARG A 81 10.332 -0.088 -6.518 1.00 0.00 H new ATOM 0 HH11 ARG A 81 8.199 1.492 -8.844 1.00 0.00 H new ATOM 0 HH12 ARG A 81 9.526 2.026 -9.880 1.00 0.00 H new ATOM 0 HH21 ARG A 81 12.040 0.587 -7.878 1.00 0.00 H new ATOM 0 HH22 ARG A 81 11.685 1.518 -9.338 1.00 0.00 H new ATOM 1178 N GLU A 82 7.973 -3.677 -6.362 1.00 0.00 N ATOM 1179 CA GLU A 82 8.588 -4.931 -5.965 1.00 0.00 C ATOM 1180 C GLU A 82 9.455 -4.715 -4.728 1.00 0.00 C ATOM 1181 O GLU A 82 9.882 -3.591 -4.450 1.00 0.00 O ATOM 1182 CB GLU A 82 9.430 -5.494 -7.109 1.00 0.00 C ATOM 1183 CG GLU A 82 10.480 -4.529 -7.630 1.00 0.00 C ATOM 1184 CD GLU A 82 11.312 -5.133 -8.738 1.00 0.00 C ATOM 1185 OE1 GLU A 82 11.951 -6.182 -8.506 1.00 0.00 O ATOM 1186 OE2 GLU A 82 11.334 -4.563 -9.846 1.00 0.00 O ATOM 0 H GLU A 82 8.609 -3.027 -6.825 1.00 0.00 H new ATOM 0 HA GLU A 82 7.803 -5.649 -5.726 1.00 0.00 H new ATOM 0 HB2 GLU A 82 9.923 -6.405 -6.770 1.00 0.00 H new ATOM 0 HB3 GLU A 82 8.770 -5.775 -7.929 1.00 0.00 H new ATOM 0 HG2 GLU A 82 9.991 -3.626 -7.996 1.00 0.00 H new ATOM 0 HG3 GLU A 82 11.133 -4.228 -6.811 1.00 0.00 H new ATOM 1191 N ILE A 83 9.720 -5.782 -3.987 1.00 0.00 N ATOM 1192 CA ILE A 83 10.545 -5.683 -2.788 1.00 0.00 C ATOM 1193 C ILE A 83 11.947 -6.206 -3.094 1.00 0.00 C ATOM 1194 O ILE A 83 12.114 -7.380 -3.430 1.00 0.00 O ATOM 1195 CB ILE A 83 9.976 -6.515 -1.605 1.00 0.00 C ATOM 1196 CG1 ILE A 83 8.461 -6.393 -1.487 1.00 0.00 C ATOM 1197 CG2 ILE A 83 10.600 -6.085 -0.292 1.00 0.00 C ATOM 1198 CD1 ILE A 83 7.957 -4.974 -1.488 1.00 0.00 C ATOM 0 H ILE A 83 9.379 -6.721 -4.192 1.00 0.00 H new ATOM 0 HA ILE A 83 10.560 -4.632 -2.498 1.00 0.00 H new ATOM 0 HB ILE A 83 10.226 -7.555 -1.816 1.00 0.00 H new ATOM 0 HG12 ILE A 83 7.998 -6.932 -2.314 1.00 0.00 H new ATOM 0 HG13 ILE A 83 8.138 -6.881 -0.567 1.00 0.00 H new ATOM 0 HG21 ILE A 83 10.186 -6.682 0.521 1.00 0.00 H new ATOM 0 HG22 ILE A 83 11.679 -6.232 -0.337 1.00 0.00 H new ATOM 0 HG23 ILE A 83 10.385 -5.031 -0.115 1.00 0.00 H new ATOM 0 HD11 ILE A 83 6.870 -4.974 -1.401 1.00 0.00 H new ATOM 0 HD12 ILE A 83 8.389 -4.434 -0.645 1.00 0.00 H new ATOM 0 HD13 ILE A 83 8.246 -4.486 -2.419 1.00 0.00 H new ATOM 1209 N SER A 84 12.951 -5.350 -2.970 1.00 0.00 N ATOM 1210 CA SER A 84 14.331 -5.760 -3.214 1.00 0.00 C ATOM 1211 C SER A 84 15.060 -5.940 -1.890 1.00 0.00 C ATOM 1212 O SER A 84 15.026 -5.048 -1.042 1.00 0.00 O ATOM 1213 CB SER A 84 15.046 -4.720 -4.075 1.00 0.00 C ATOM 1214 OG SER A 84 14.328 -4.476 -5.275 1.00 0.00 O ATOM 0 H SER A 84 12.840 -4.372 -2.703 1.00 0.00 H new ATOM 0 HA SER A 84 14.329 -6.710 -3.748 1.00 0.00 H new ATOM 0 HB2 SER A 84 15.154 -3.791 -3.516 1.00 0.00 H new ATOM 0 HB3 SER A 84 16.051 -5.068 -4.312 1.00 0.00 H new ATOM 0 HG SER A 84 14.803 -3.806 -5.810 1.00 0.00 H new ATOM 1219 N GLY A 85 15.598 -7.141 -1.662 1.00 0.00 N ATOM 1220 CA GLY A 85 16.166 -7.455 -0.361 1.00 0.00 C ATOM 1221 C GLY A 85 15.123 -7.274 0.716 1.00 0.00 C ATOM 1222 O GLY A 85 13.978 -7.703 0.535 1.00 0.00 O ATOM 0 H GLY A 85 15.649 -7.893 -2.349 1.00 0.00 H new ATOM 0 HA2 GLY A 85 16.534 -8.481 -0.354 1.00 0.00 H new ATOM 0 HA3 GLY A 85 17.021 -6.809 -0.163 1.00 0.00 H new ATOM 1226 N ASN A 86 15.400 -6.388 1.657 1.00 0.00 N ATOM 1227 CA ASN A 86 14.334 -5.889 2.500 1.00 0.00 C ATOM 1228 C ASN A 86 14.384 -4.370 2.530 1.00 0.00 C ATOM 1229 O ASN A 86 15.045 -3.765 3.371 1.00 0.00 O ATOM 1230 CB ASN A 86 14.423 -6.457 3.924 1.00 0.00 C ATOM 1231 CG ASN A 86 14.100 -7.940 3.986 1.00 0.00 C ATOM 1232 OD1 ASN A 86 14.880 -8.779 3.534 1.00 0.00 O ATOM 1233 ND2 ASN A 86 12.939 -8.274 4.530 1.00 0.00 N ATOM 0 H ASN A 86 16.327 -6.010 1.852 1.00 0.00 H new ATOM 0 HA ASN A 86 13.383 -6.216 2.081 1.00 0.00 H new ATOM 0 HB2 ASN A 86 15.427 -6.292 4.314 1.00 0.00 H new ATOM 0 HB3 ASN A 86 13.736 -5.912 4.571 1.00 0.00 H new ATOM 0 HD21 ASN A 86 12.665 -9.255 4.585 1.00 0.00 H new ATOM 0 HD22 ASN A 86 12.319 -7.550 4.894 1.00 0.00 H new ATOM 1239 N GLU A 87 13.565 -3.783 1.677 1.00 0.00 N ATOM 1240 CA GLU A 87 13.362 -2.344 1.601 1.00 0.00 C ATOM 1241 C GLU A 87 12.152 -2.110 0.713 1.00 0.00 C ATOM 1242 O GLU A 87 11.832 -2.966 -0.117 1.00 0.00 O ATOM 1243 CB GLU A 87 14.596 -1.622 1.043 1.00 0.00 C ATOM 1244 CG GLU A 87 14.904 -1.942 -0.411 1.00 0.00 C ATOM 1245 CD GLU A 87 16.167 -1.265 -0.906 1.00 0.00 C ATOM 1246 OE1 GLU A 87 16.846 -0.590 -0.102 1.00 0.00 O ATOM 1247 OE2 GLU A 87 16.497 -1.418 -2.100 1.00 0.00 O ATOM 0 H GLU A 87 13.008 -4.305 1.000 1.00 0.00 H new ATOM 0 HA GLU A 87 13.198 -1.938 2.599 1.00 0.00 H new ATOM 0 HB2 GLU A 87 14.449 -0.547 1.143 1.00 0.00 H new ATOM 0 HB3 GLU A 87 15.462 -1.884 1.652 1.00 0.00 H new ATOM 0 HG2 GLU A 87 15.006 -3.021 -0.527 1.00 0.00 H new ATOM 0 HG3 GLU A 87 14.064 -1.632 -1.032 1.00 0.00 H new ATOM 1252 N LEU A 88 11.425 -1.031 0.921 1.00 0.00 N ATOM 1253 CA LEU A 88 10.221 -0.818 0.142 1.00 0.00 C ATOM 1254 C LEU A 88 10.179 0.556 -0.500 1.00 0.00 C ATOM 1255 O LEU A 88 10.087 1.572 0.183 1.00 0.00 O ATOM 1256 CB LEU A 88 8.964 -1.010 0.993 1.00 0.00 C ATOM 1257 CG LEU A 88 7.657 -0.777 0.227 1.00 0.00 C ATOM 1258 CD1 LEU A 88 7.398 -1.900 -0.757 1.00 0.00 C ATOM 1259 CD2 LEU A 88 6.482 -0.620 1.173 1.00 0.00 C ATOM 0 H LEU A 88 11.638 -0.304 1.604 1.00 0.00 H new ATOM 0 HA LEU A 88 10.243 -1.566 -0.650 1.00 0.00 H new ATOM 0 HB2 LEU A 88 8.962 -2.022 1.398 1.00 0.00 H new ATOM 0 HB3 LEU A 88 9.003 -0.327 1.842 1.00 0.00 H new ATOM 0 HG LEU A 88 7.766 0.153 -0.331 1.00 0.00 H new ATOM 0 HD11 LEU A 88 6.465 -1.711 -1.288 1.00 0.00 H new ATOM 0 HD12 LEU A 88 8.218 -1.953 -1.473 1.00 0.00 H new ATOM 0 HD13 LEU A 88 7.324 -2.845 -0.219 1.00 0.00 H new ATOM 0 HD21 LEU A 88 5.571 -0.456 0.598 1.00 0.00 H new ATOM 0 HD22 LEU A 88 6.375 -1.524 1.773 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.655 0.233 1.829 1.00 0.00 H new ATOM 1270 N ILE A 89 9.958 0.546 -1.798 1.00 0.00 N ATOM 1271 CA ILE A 89 9.595 1.744 -2.518 1.00 0.00 C ATOM 1272 C ILE A 89 8.108 1.652 -2.818 1.00 0.00 C ATOM 1273 O ILE A 89 7.576 0.551 -2.902 1.00 0.00 O ATOM 1274 CB ILE A 89 10.393 1.881 -3.836 1.00 0.00 C ATOM 1275 CG1 ILE A 89 11.898 1.788 -3.558 1.00 0.00 C ATOM 1276 CG2 ILE A 89 10.061 3.193 -4.534 1.00 0.00 C ATOM 1277 CD1 ILE A 89 12.750 1.821 -4.808 1.00 0.00 C ATOM 0 H ILE A 89 10.025 -0.289 -2.379 1.00 0.00 H new ATOM 0 HA ILE A 89 9.826 2.622 -1.915 1.00 0.00 H new ATOM 0 HB ILE A 89 10.108 1.062 -4.497 1.00 0.00 H new ATOM 0 HG12 ILE A 89 12.190 2.613 -2.908 1.00 0.00 H new ATOM 0 HG13 ILE A 89 12.102 0.866 -3.014 1.00 0.00 H new ATOM 0 HG21 ILE A 89 10.633 3.268 -5.459 1.00 0.00 H new ATOM 0 HG22 ILE A 89 8.996 3.224 -4.763 1.00 0.00 H new ATOM 0 HG23 ILE A 89 10.316 4.027 -3.881 1.00 0.00 H new ATOM 0 HD11 ILE A 89 13.802 1.751 -4.533 1.00 0.00 H new ATOM 0 HD12 ILE A 89 12.486 0.981 -5.450 1.00 0.00 H new ATOM 0 HD13 ILE A 89 12.576 2.755 -5.342 1.00 0.00 H new ATOM 1288 N GLN A 90 7.410 2.763 -2.839 1.00 0.00 N ATOM 1289 CA GLN A 90 5.973 2.716 -3.032 1.00 0.00 C ATOM 1290 C GLN A 90 5.545 3.692 -4.114 1.00 0.00 C ATOM 1291 O GLN A 90 5.855 4.881 -4.044 1.00 0.00 O ATOM 1292 CB GLN A 90 5.258 3.032 -1.723 1.00 0.00 C ATOM 1293 CG GLN A 90 3.750 2.838 -1.774 1.00 0.00 C ATOM 1294 CD GLN A 90 3.345 1.430 -2.168 1.00 0.00 C ATOM 1295 OE1 GLN A 90 3.535 1.009 -3.311 1.00 0.00 O ATOM 1296 NE2 GLN A 90 2.789 0.690 -1.223 1.00 0.00 N ATOM 0 H GLN A 90 7.802 3.698 -2.727 1.00 0.00 H new ATOM 0 HA GLN A 90 5.700 1.710 -3.350 1.00 0.00 H new ATOM 0 HB2 GLN A 90 5.668 2.399 -0.936 1.00 0.00 H new ATOM 0 HB3 GLN A 90 5.471 4.064 -1.445 1.00 0.00 H new ATOM 0 HG2 GLN A 90 3.326 3.072 -0.797 1.00 0.00 H new ATOM 0 HG3 GLN A 90 3.322 3.545 -2.485 1.00 0.00 H new ATOM 0 HE21 GLN A 90 2.649 1.076 -0.289 1.00 0.00 H new ATOM 0 HE22 GLN A 90 2.500 -0.267 -1.428 1.00 0.00 H new ATOM 1303 N THR A 91 4.849 3.180 -5.117 1.00 0.00 N ATOM 1304 CA THR A 91 4.383 4.006 -6.215 1.00 0.00 C ATOM 1305 C THR A 91 2.867 4.113 -6.204 1.00 0.00 C ATOM 1306 O THR A 91 2.167 3.108 -6.318 1.00 0.00 O ATOM 1307 CB THR A 91 4.809 3.437 -7.575 1.00 0.00 C ATOM 1308 OG1 THR A 91 5.961 2.597 -7.416 1.00 0.00 O ATOM 1309 CG2 THR A 91 5.126 4.558 -8.551 1.00 0.00 C ATOM 0 H THR A 91 4.595 2.195 -5.192 1.00 0.00 H new ATOM 0 HA THR A 91 4.834 4.989 -6.077 1.00 0.00 H new ATOM 0 HB THR A 91 3.983 2.849 -7.974 1.00 0.00 H new ATOM 0 HG1 THR A 91 5.695 1.657 -7.498 1.00 0.00 H new ATOM 0 HG21 THR A 91 5.426 4.133 -9.509 1.00 0.00 H new ATOM 0 HG22 THR A 91 4.242 5.180 -8.691 1.00 0.00 H new ATOM 0 HG23 THR A 91 5.938 5.167 -8.154 1.00 0.00 H new ATOM 1317 N TYR A 92 2.375 5.336 -6.179 1.00 0.00 N ATOM 1318 CA TYR A 92 0.952 5.585 -6.280 1.00 0.00 C ATOM 1319 C TYR A 92 0.625 6.085 -7.680 1.00 0.00 C ATOM 1320 O TYR A 92 0.949 7.222 -8.029 1.00 0.00 O ATOM 1321 CB TYR A 92 0.493 6.639 -5.261 1.00 0.00 C ATOM 1322 CG TYR A 92 0.768 6.310 -3.807 1.00 0.00 C ATOM 1323 CD1 TYR A 92 2.065 6.277 -3.306 1.00 0.00 C ATOM 1324 CD2 TYR A 92 -0.280 6.065 -2.927 1.00 0.00 C ATOM 1325 CE1 TYR A 92 2.308 6.015 -1.972 1.00 0.00 C ATOM 1326 CE2 TYR A 92 -0.044 5.795 -1.594 1.00 0.00 C ATOM 1327 CZ TYR A 92 1.250 5.773 -1.121 1.00 0.00 C ATOM 1328 OH TYR A 92 1.491 5.528 0.212 1.00 0.00 O ATOM 0 H TYR A 92 2.945 6.177 -6.089 1.00 0.00 H new ATOM 0 HA TYR A 92 0.432 4.650 -6.073 1.00 0.00 H new ATOM 0 HB2 TYR A 92 0.980 7.584 -5.499 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -0.579 6.793 -5.383 1.00 0.00 H new ATOM 0 HD1 TYR A 92 2.896 6.459 -3.971 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -1.296 6.086 -3.293 1.00 0.00 H new ATOM 0 HE1 TYR A 92 3.321 6.000 -1.597 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -0.870 5.602 -0.925 1.00 0.00 H new ATOM 0 HH TYR A 92 0.641 5.378 0.676 1.00 0.00 H new ATOM 1337 N THR A 93 -0.038 5.258 -8.463 1.00 0.00 N ATOM 1338 CA THR A 93 -0.461 5.655 -9.794 1.00 0.00 C ATOM 1339 C THR A 93 -1.947 5.993 -9.785 1.00 0.00 C ATOM 1340 O THR A 93 -2.792 5.117 -9.616 1.00 0.00 O ATOM 1341 CB THR A 93 -0.193 4.543 -10.825 1.00 0.00 C ATOM 1342 OG1 THR A 93 1.177 4.126 -10.751 1.00 0.00 O ATOM 1343 CG2 THR A 93 -0.507 5.028 -12.231 1.00 0.00 C ATOM 0 H THR A 93 -0.296 4.306 -8.202 1.00 0.00 H new ATOM 0 HA THR A 93 0.117 6.533 -10.081 1.00 0.00 H new ATOM 0 HB THR A 93 -0.841 3.697 -10.595 1.00 0.00 H new ATOM 0 HG1 THR A 93 1.339 3.418 -11.408 1.00 0.00 H new ATOM 0 HG21 THR A 93 -0.311 4.227 -12.944 1.00 0.00 H new ATOM 0 HG22 THR A 93 -1.556 5.318 -12.290 1.00 0.00 H new ATOM 0 HG23 THR A 93 0.121 5.887 -12.468 1.00 0.00 H new ATOM 1351 N TYR A 94 -2.249 7.275 -9.875 1.00 0.00 N ATOM 1352 CA TYR A 94 -3.621 7.745 -9.795 1.00 0.00 C ATOM 1353 C TYR A 94 -4.065 8.305 -11.138 1.00 0.00 C ATOM 1354 O TYR A 94 -3.488 9.275 -11.627 1.00 0.00 O ATOM 1355 CB TYR A 94 -3.735 8.810 -8.703 1.00 0.00 C ATOM 1356 CG TYR A 94 -5.140 9.314 -8.450 1.00 0.00 C ATOM 1357 CD1 TYR A 94 -6.243 8.471 -8.541 1.00 0.00 C ATOM 1358 CD2 TYR A 94 -5.356 10.637 -8.093 1.00 0.00 C ATOM 1359 CE1 TYR A 94 -7.516 8.938 -8.285 1.00 0.00 C ATOM 1360 CE2 TYR A 94 -6.628 11.110 -7.840 1.00 0.00 C ATOM 1361 CZ TYR A 94 -7.702 10.257 -7.937 1.00 0.00 C ATOM 1362 OH TYR A 94 -8.967 10.724 -7.679 1.00 0.00 O ATOM 0 H TYR A 94 -1.558 8.014 -10.004 1.00 0.00 H new ATOM 0 HA TYR A 94 -4.273 6.909 -9.542 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -3.338 8.401 -7.774 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -3.104 9.657 -8.974 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -6.101 7.436 -8.816 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.514 11.309 -8.012 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -8.363 8.272 -8.357 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -6.779 12.144 -7.567 1.00 0.00 H new ATOM 0 HH TYR A 94 -9.244 11.331 -8.397 1.00 0.00 H new ATOM 1371 N GLU A 95 -5.088 7.673 -11.714 1.00 0.00 N ATOM 1372 CA GLU A 95 -5.655 8.054 -13.012 1.00 0.00 C ATOM 1373 C GLU A 95 -4.657 7.854 -14.157 1.00 0.00 C ATOM 1374 O GLU A 95 -4.889 7.040 -15.050 1.00 0.00 O ATOM 1375 CB GLU A 95 -6.165 9.499 -12.986 1.00 0.00 C ATOM 1376 CG GLU A 95 -7.252 9.745 -11.950 1.00 0.00 C ATOM 1377 CD GLU A 95 -8.375 8.729 -12.024 1.00 0.00 C ATOM 1378 OE1 GLU A 95 -8.922 8.520 -13.129 1.00 0.00 O ATOM 1379 OE2 GLU A 95 -8.725 8.145 -10.980 1.00 0.00 O ATOM 0 H GLU A 95 -5.554 6.871 -11.288 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.501 7.392 -13.197 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -5.327 10.167 -12.786 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -6.550 9.757 -13.972 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -6.810 9.720 -10.954 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -7.663 10.745 -12.091 1.00 0.00 H new ATOM 1384 N GLY A 96 -3.527 8.541 -14.097 1.00 0.00 N ATOM 1385 CA GLY A 96 -2.507 8.376 -15.109 1.00 0.00 C ATOM 1386 C GLY A 96 -1.207 9.059 -14.736 1.00 0.00 C ATOM 1387 O GLY A 96 -0.450 9.480 -15.608 1.00 0.00 O ATOM 0 H GLY A 96 -3.298 9.212 -13.363 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -2.324 7.313 -15.266 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -2.868 8.780 -16.054 1.00 0.00 H new ATOM 1391 N VAL A 97 -0.906 9.089 -13.446 1.00 0.00 N ATOM 1392 CA VAL A 97 0.358 9.638 -12.960 1.00 0.00 C ATOM 1393 C VAL A 97 0.881 8.801 -11.803 1.00 0.00 C ATOM 1394 O VAL A 97 0.120 8.412 -10.915 1.00 0.00 O ATOM 1395 CB VAL A 97 0.236 11.112 -12.499 1.00 0.00 C ATOM 1396 CG1 VAL A 97 0.100 12.048 -13.692 1.00 0.00 C ATOM 1397 CG2 VAL A 97 -0.936 11.292 -11.547 1.00 0.00 C ATOM 0 H VAL A 97 -1.521 8.739 -12.712 1.00 0.00 H new ATOM 0 HA VAL A 97 1.052 9.609 -13.800 1.00 0.00 H new ATOM 0 HB VAL A 97 1.152 11.368 -11.966 1.00 0.00 H new ATOM 0 HG11 VAL A 97 0.016 13.076 -13.340 1.00 0.00 H new ATOM 0 HG12 VAL A 97 0.978 11.954 -14.331 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.792 11.785 -14.261 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.998 12.336 -11.239 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -1.860 11.006 -12.049 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -0.791 10.663 -10.669 1.00 0.00 H new ATOM 1407 N GLU A 98 2.167 8.481 -11.841 1.00 0.00 N ATOM 1408 CA GLU A 98 2.772 7.662 -10.805 1.00 0.00 C ATOM 1409 C GLU A 98 3.707 8.485 -9.927 1.00 0.00 C ATOM 1410 O GLU A 98 4.600 9.178 -10.422 1.00 0.00 O ATOM 1411 CB GLU A 98 3.528 6.475 -11.417 1.00 0.00 C ATOM 1412 CG GLU A 98 4.626 6.869 -12.394 1.00 0.00 C ATOM 1413 CD GLU A 98 5.507 5.700 -12.783 1.00 0.00 C ATOM 1414 OE1 GLU A 98 6.107 5.079 -11.882 1.00 0.00 O ATOM 1415 OE2 GLU A 98 5.609 5.402 -13.992 1.00 0.00 O ATOM 0 H GLU A 98 2.809 8.776 -12.577 1.00 0.00 H new ATOM 0 HA GLU A 98 1.967 7.276 -10.179 1.00 0.00 H new ATOM 0 HB2 GLU A 98 3.968 5.886 -10.612 1.00 0.00 H new ATOM 0 HB3 GLU A 98 2.815 5.831 -11.931 1.00 0.00 H new ATOM 0 HG2 GLU A 98 4.174 7.293 -13.291 1.00 0.00 H new ATOM 0 HG3 GLU A 98 5.241 7.650 -11.947 1.00 0.00 H new ATOM 1420 N ALA A 99 3.533 8.359 -8.625 1.00 0.00 N ATOM 1421 CA ALA A 99 4.402 9.021 -7.666 1.00 0.00 C ATOM 1422 C ALA A 99 5.027 7.984 -6.749 1.00 0.00 C ATOM 1423 O ALA A 99 4.316 7.210 -6.111 1.00 0.00 O ATOM 1424 CB ALA A 99 3.623 10.049 -6.859 1.00 0.00 C ATOM 0 H ALA A 99 2.792 7.800 -8.203 1.00 0.00 H new ATOM 0 HA ALA A 99 5.193 9.545 -8.203 1.00 0.00 H new ATOM 0 HB1 ALA A 99 4.290 10.534 -6.147 1.00 0.00 H new ATOM 0 HB2 ALA A 99 3.204 10.798 -7.531 1.00 0.00 H new ATOM 0 HB3 ALA A 99 2.816 9.553 -6.320 1.00 0.00 H new ATOM 1430 N LYS A 100 6.348 7.925 -6.730 1.00 0.00 N ATOM 1431 CA LYS A 100 7.047 6.924 -5.937 1.00 0.00 C ATOM 1432 C LYS A 100 7.840 7.551 -4.799 1.00 0.00 C ATOM 1433 O LYS A 100 8.318 8.682 -4.900 1.00 0.00 O ATOM 1434 CB LYS A 100 7.959 6.055 -6.811 1.00 0.00 C ATOM 1435 CG LYS A 100 8.675 6.806 -7.924 1.00 0.00 C ATOM 1436 CD LYS A 100 9.655 5.901 -8.652 1.00 0.00 C ATOM 1437 CE LYS A 100 10.054 6.477 -10.001 1.00 0.00 C ATOM 1438 NZ LYS A 100 8.917 6.475 -10.960 1.00 0.00 N ATOM 0 H LYS A 100 6.957 8.555 -7.252 1.00 0.00 H new ATOM 0 HA LYS A 100 6.283 6.284 -5.496 1.00 0.00 H new ATOM 0 HB2 LYS A 100 8.705 5.579 -6.174 1.00 0.00 H new ATOM 0 HB3 LYS A 100 7.363 5.257 -7.254 1.00 0.00 H new ATOM 0 HG2 LYS A 100 7.944 7.199 -8.631 1.00 0.00 H new ATOM 0 HG3 LYS A 100 9.206 7.661 -7.507 1.00 0.00 H new ATOM 0 HD2 LYS A 100 10.545 5.760 -8.039 1.00 0.00 H new ATOM 0 HD3 LYS A 100 9.206 4.918 -8.794 1.00 0.00 H new ATOM 0 HE2 LYS A 100 10.416 7.497 -9.868 1.00 0.00 H new ATOM 0 HE3 LYS A 100 10.879 5.897 -10.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 9.282 6.545 -11.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 8.377 5.593 -10.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 8.296 7.286 -10.764 1.00 0.00 H new ATOM 1448 N ARG A 101 7.912 6.825 -3.697 1.00 0.00 N ATOM 1449 CA ARG A 101 8.585 7.284 -2.495 1.00 0.00 C ATOM 1450 C ARG A 101 9.326 6.102 -1.876 1.00 0.00 C ATOM 1451 O ARG A 101 8.882 4.961 -2.007 1.00 0.00 O ATOM 1452 CB ARG A 101 7.548 7.866 -1.529 1.00 0.00 C ATOM 1453 CG ARG A 101 8.128 8.642 -0.358 1.00 0.00 C ATOM 1454 CD ARG A 101 7.027 9.374 0.394 1.00 0.00 C ATOM 1455 NE ARG A 101 7.512 10.033 1.604 1.00 0.00 N ATOM 1456 CZ ARG A 101 6.740 10.779 2.399 1.00 0.00 C ATOM 1457 NH1 ARG A 101 5.467 10.994 2.082 1.00 0.00 N ATOM 1458 NH2 ARG A 101 7.244 11.325 3.497 1.00 0.00 N ATOM 0 H ARG A 101 7.503 5.895 -3.611 1.00 0.00 H new ATOM 0 HA ARG A 101 9.307 8.068 -2.725 1.00 0.00 H new ATOM 0 HB2 ARG A 101 6.882 8.524 -2.087 1.00 0.00 H new ATOM 0 HB3 ARG A 101 6.938 7.051 -1.139 1.00 0.00 H new ATOM 0 HG2 ARG A 101 8.646 7.960 0.317 1.00 0.00 H new ATOM 0 HG3 ARG A 101 8.868 9.357 -0.719 1.00 0.00 H new ATOM 0 HD2 ARG A 101 6.576 10.117 -0.263 1.00 0.00 H new ATOM 0 HD3 ARG A 101 6.242 8.666 0.661 1.00 0.00 H new ATOM 0 HE ARG A 101 8.494 9.917 1.856 1.00 0.00 H new ATOM 0 HH11 ARG A 101 5.078 10.589 1.230 1.00 0.00 H new ATOM 0 HH12 ARG A 101 4.879 11.564 2.690 1.00 0.00 H new ATOM 0 HH21 ARG A 101 8.224 11.176 3.737 1.00 0.00 H new ATOM 0 HH22 ARG A 101 6.652 11.894 4.102 1.00 0.00 H new ATOM 1469 N ILE A 102 10.534 6.342 -1.390 1.00 0.00 N ATOM 1470 CA ILE A 102 11.412 5.251 -0.973 1.00 0.00 C ATOM 1471 C ILE A 102 11.444 5.107 0.549 1.00 0.00 C ATOM 1472 O ILE A 102 11.574 6.093 1.278 1.00 0.00 O ATOM 1473 CB ILE A 102 12.862 5.450 -1.495 1.00 0.00 C ATOM 1474 CG1 ILE A 102 12.908 5.443 -3.031 1.00 0.00 C ATOM 1475 CG2 ILE A 102 13.791 4.377 -0.943 1.00 0.00 C ATOM 1476 CD1 ILE A 102 12.524 6.762 -3.673 1.00 0.00 C ATOM 0 H ILE A 102 10.930 7.275 -1.274 1.00 0.00 H new ATOM 0 HA ILE A 102 11.000 4.341 -1.409 1.00 0.00 H new ATOM 0 HB ILE A 102 13.203 6.424 -1.145 1.00 0.00 H new ATOM 0 HG12 ILE A 102 13.915 5.176 -3.351 1.00 0.00 H new ATOM 0 HG13 ILE A 102 12.239 4.665 -3.399 1.00 0.00 H new ATOM 0 HG21 ILE A 102 14.800 4.538 -1.323 1.00 0.00 H new ATOM 0 HG22 ILE A 102 13.801 4.429 0.146 1.00 0.00 H new ATOM 0 HG23 ILE A 102 13.438 3.394 -1.256 1.00 0.00 H new ATOM 0 HD11 ILE A 102 12.583 6.670 -4.757 1.00 0.00 H new ATOM 0 HD12 ILE A 102 11.505 7.023 -3.386 1.00 0.00 H new ATOM 0 HD13 ILE A 102 13.207 7.542 -3.338 1.00 0.00 H new ATOM 1487 N PHE A 103 11.336 3.864 1.011 1.00 0.00 N ATOM 1488 CA PHE A 103 11.372 3.547 2.433 1.00 0.00 C ATOM 1489 C PHE A 103 12.239 2.310 2.658 1.00 0.00 C ATOM 1490 O PHE A 103 12.485 1.541 1.729 1.00 0.00 O ATOM 1491 CB PHE A 103 9.961 3.279 2.973 1.00 0.00 C ATOM 1492 CG PHE A 103 8.920 4.252 2.495 1.00 0.00 C ATOM 1493 CD1 PHE A 103 8.839 5.526 3.032 1.00 0.00 C ATOM 1494 CD2 PHE A 103 8.014 3.883 1.511 1.00 0.00 C ATOM 1495 CE1 PHE A 103 7.877 6.415 2.594 1.00 0.00 C ATOM 1496 CE2 PHE A 103 7.051 4.767 1.072 1.00 0.00 C ATOM 1497 CZ PHE A 103 6.980 6.034 1.614 1.00 0.00 C ATOM 0 H PHE A 103 11.221 3.049 0.409 1.00 0.00 H new ATOM 0 HA PHE A 103 11.792 4.402 2.964 1.00 0.00 H new ATOM 0 HB2 PHE A 103 9.660 2.272 2.685 1.00 0.00 H new ATOM 0 HB3 PHE A 103 9.991 3.303 4.062 1.00 0.00 H new ATOM 0 HD1 PHE A 103 9.535 5.827 3.801 1.00 0.00 H new ATOM 0 HD2 PHE A 103 8.064 2.892 1.084 1.00 0.00 H new ATOM 0 HE1 PHE A 103 7.826 7.407 3.017 1.00 0.00 H new ATOM 0 HE2 PHE A 103 6.353 4.468 0.304 1.00 0.00 H new ATOM 0 HZ PHE A 103 6.225 6.727 1.273 1.00 0.00 H new ATOM 1506 N LYS A 104 12.683 2.101 3.886 1.00 0.00 N ATOM 1507 CA LYS A 104 13.495 0.935 4.204 1.00 0.00 C ATOM 1508 C LYS A 104 12.913 0.203 5.409 1.00 0.00 C ATOM 1509 O LYS A 104 12.194 0.800 6.211 1.00 0.00 O ATOM 1510 CB LYS A 104 14.954 1.346 4.462 1.00 0.00 C ATOM 1511 CG LYS A 104 15.321 1.541 5.931 1.00 0.00 C ATOM 1512 CD LYS A 104 14.651 2.758 6.555 1.00 0.00 C ATOM 1513 CE LYS A 104 15.034 2.885 8.021 1.00 0.00 C ATOM 1514 NZ LYS A 104 14.532 4.142 8.632 1.00 0.00 N ATOM 0 H LYS A 104 12.497 2.719 4.676 1.00 0.00 H new ATOM 0 HA LYS A 104 13.484 0.256 3.351 1.00 0.00 H new ATOM 0 HB2 LYS A 104 15.610 0.586 4.037 1.00 0.00 H new ATOM 0 HB3 LYS A 104 15.154 2.275 3.927 1.00 0.00 H new ATOM 0 HG2 LYS A 104 15.038 0.650 6.492 1.00 0.00 H new ATOM 0 HG3 LYS A 104 16.403 1.643 6.019 1.00 0.00 H new ATOM 0 HD2 LYS A 104 14.946 3.659 6.017 1.00 0.00 H new ATOM 0 HD3 LYS A 104 13.568 2.672 6.462 1.00 0.00 H new ATOM 0 HE2 LYS A 104 14.637 2.033 8.572 1.00 0.00 H new ATOM 0 HE3 LYS A 104 16.119 2.847 8.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 15.032 4.317 9.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 14.700 4.936 7.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 13.512 4.055 8.816 1.00 0.00 H new ATOM 1524 N LYS A 105 13.217 -1.085 5.536 1.00 0.00 N ATOM 1525 CA LYS A 105 12.730 -1.868 6.662 1.00 0.00 C ATOM 1526 C LYS A 105 13.417 -1.438 7.951 1.00 0.00 C ATOM 1527 O LYS A 105 14.618 -1.161 7.962 1.00 0.00 O ATOM 1528 CB LYS A 105 12.944 -3.365 6.439 1.00 0.00 C ATOM 1529 CG LYS A 105 12.287 -4.217 7.515 1.00 0.00 C ATOM 1530 CD LYS A 105 12.514 -5.698 7.292 1.00 0.00 C ATOM 1531 CE LYS A 105 11.820 -6.526 8.363 1.00 0.00 C ATOM 1532 NZ LYS A 105 12.335 -6.230 9.729 1.00 0.00 N ATOM 0 H LYS A 105 13.795 -1.605 4.876 1.00 0.00 H new ATOM 0 HA LYS A 105 11.659 -1.684 6.746 1.00 0.00 H new ATOM 0 HB2 LYS A 105 12.543 -3.644 5.465 1.00 0.00 H new ATOM 0 HB3 LYS A 105 14.013 -3.576 6.416 1.00 0.00 H new ATOM 0 HG2 LYS A 105 12.681 -3.934 8.491 1.00 0.00 H new ATOM 0 HG3 LYS A 105 11.216 -4.014 7.533 1.00 0.00 H new ATOM 0 HD2 LYS A 105 12.140 -5.982 6.309 1.00 0.00 H new ATOM 0 HD3 LYS A 105 13.583 -5.910 7.300 1.00 0.00 H new ATOM 0 HE2 LYS A 105 10.748 -6.332 8.331 1.00 0.00 H new ATOM 0 HE3 LYS A 105 11.958 -7.585 8.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 12.001 -6.959 10.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 13.375 -6.226 9.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 11.989 -5.298 10.036 1.00 0.00 H new ATOM 1542 N GLU A 106 12.659 -1.416 9.033 1.00 0.00 N ATOM 1543 CA GLU A 106 13.196 -1.084 10.340 1.00 0.00 C ATOM 1544 C GLU A 106 14.074 -2.225 10.847 1.00 0.00 C ATOM 1545 O GLU A 106 13.659 -3.394 10.714 1.00 0.00 O ATOM 1546 CB GLU A 106 12.042 -0.819 11.308 1.00 0.00 C ATOM 1547 CG GLU A 106 12.466 -0.315 12.675 1.00 0.00 C ATOM 1548 CD GLU A 106 11.276 -0.087 13.579 1.00 0.00 C ATOM 1549 OE1 GLU A 106 10.554 -1.064 13.873 1.00 0.00 O ATOM 1550 OE2 GLU A 106 11.031 1.075 13.969 1.00 0.00 O ATOM 1551 OXT GLU A 106 15.189 -1.954 11.342 1.00 0.00 O ATOM 0 H GLU A 106 11.661 -1.626 9.031 1.00 0.00 H new ATOM 0 HA GLU A 106 13.810 -0.186 10.268 1.00 0.00 H new ATOM 0 HB2 GLU A 106 11.369 -0.089 10.859 1.00 0.00 H new ATOM 0 HB3 GLU A 106 11.473 -1.740 11.435 1.00 0.00 H new ATOM 0 HG2 GLU A 106 13.141 -1.036 13.136 1.00 0.00 H new ATOM 0 HG3 GLU A 106 13.022 0.616 12.564 1.00 0.00 H new