USER MOD reduce.3.24.130724 H: found=0, std=0, add=1220, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1220 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 NoAdj : A 60 ASNHD21 : A 60 ASN OD1 : A 202 CACA :(metal ligand) USER MOD NoAdj : A 60 ASNHD22 : A 60 ASN OD1 : A 202 CACA :(metal ligand) USER MOD NoAdj : A 97 ASNHD21 : A 97 ASN OD1 : A 203 CACA :(metal ligand) USER MOD NoAdj : A 97 ASNHD22 : A 97 ASN OD1 : A 203 CACA :(metal ligand) USER MOD Set 1.1: A 109 MET CE :methyl -174:sc= 0 (180deg=-0.054) USER MOD Set 1.2: A 124 MET CE :methyl -176:sc= -3.49! (180deg=-3.63!) USER MOD Set 2.1: A 81 SER OG : rot -54:sc= 0.785 USER MOD Set 2.2: A 145 MET CE :methyl -166:sc= -0.774 (180deg=-1.12) USER MOD Set 2.3: A 146 THR OG1 : rot -160:sc= 0 USER MOD Set 3.1: A 75 LYS NZ :NH3+ 172:sc= -4.78! (180deg=-5.31!) USER MOD Set 3.2: B 8 THR OG1 : rot 150:sc= -1.13! USER MOD Set 4.1: A 36 MET CE :methyl 168:sc= -2.17 (180deg=-2.79!) USER MOD Set 4.2: A 51 MET CE :methyl -159:sc= 0 (180deg=-0.191) USER MOD Set 5.1: A 5 THR OG1 : rot 156:sc= 1.4 USER MOD Set 5.2: A 8 GLN : amide:sc= 2.01 K(o=3.4,f=-0.34) USER MOD Set 5.3: B 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 81:sc= 1.24 USER MOD Single : A 21 LYS NZ :NH3+ 153:sc= 2.38 (180deg=0.963) USER MOD Single : A 26 THR OG1 : rot 108:sc= 1.29 USER MOD Single : A 28 THR OG1 : rot -62:sc= 0.802 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.136 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 69:sc= 1.08 USER MOD Single : A 38 SER OG : rot -172:sc= 0.987 USER MOD Single : A 41 GLN : amide:sc= 0.806 K(o=0.81,f=-5.6!) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot -83:sc= 1.24 USER MOD Single : A 49 GLN : amide:sc= -0.0251 K(o=-0.025,f=-3.1!) USER MOD Single : A 53 ASN : amide:sc= 1.02 K(o=1,f=0) USER MOD Single : A 62 THR OG1 : rot 5:sc= 0.513 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0584 USER MOD Single : A 71 MET CE :methyl 154:sc= -1.25 (180deg=-3.55!) USER MOD Single : A 72 MET CE :methyl -146:sc= -0.364 (180deg=-1.14) USER MOD Single : A 76 MET CE :methyl -177:sc= -0.549 (180deg=-0.555) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= 0.0889 X(o=0.089,f=-0.38) USER MOD Single : A 110 THR OG1 : rot 83:sc= 1.3 USER MOD Single : A 111 ASN : amide:sc= -2.4! C(o=-2.4!,f=-7.7!) USER MOD Single : A 115 LYS NZ :NH3+ 175:sc= 2.47 (180deg=2.22) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0.0856 USER MOD Single : A 135 GLN : amide:sc=-0.00259 K(o=-0.0026,f=-1.9) USER MOD Single : A 137 ASN : amide:sc= 0.399 K(o=0.4,f=-9.2!) USER MOD Single : A 138 TYR OH : rot 180:sc= -0.333 USER MOD Single : A 143 GLN : amide:sc= -0.797 K(o=-0.8,f=0) USER MOD Single : A 144 MET CE :methyl -167:sc= -4.51! (180deg=-4.8) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -168:sc= 0.639! (180deg=0.157!) USER MOD Single : B 3 CYS SG : rot -58:sc= -6.43! USER MOD Single : B 5 CYS SG : rot -27:sc= -3.05! USER MOD Single : B 9 THR OG1 : rot 64:sc= 1.28 USER MOD Single : B 10 LYS NZ :NH3+ -127:sc= 0.967 (180deg=-1.74!) USER MOD Single : B 11 LYS NZ :NH3+ 180:sc= 0.306 (180deg=0.306) USER MOD Single : B 12 TYR OH : rot -125:sc= -0.104 USER MOD Single : B 15 GLN : amide:sc= -1.97! C(o=-2!,f=-4.2!) USER MOD Single : B 19 THR OG1 : rot -29:sc= 0.657 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 4 -2.100 19.573 4.479 1.00 1.45 N ATOM 2 CA LEU A 4 -1.367 18.441 3.878 1.00 1.33 C ATOM 3 C LEU A 4 -0.450 18.946 2.772 1.00 1.19 C ATOM 4 O LEU A 4 -0.641 20.052 2.262 1.00 1.15 O ATOM 5 CB LEU A 4 -2.348 17.419 3.303 1.00 1.31 C ATOM 6 CG LEU A 4 -1.777 16.011 3.125 1.00 1.33 C ATOM 7 CD1 LEU A 4 -1.723 15.283 4.460 1.00 1.71 C ATOM 8 CD2 LEU A 4 -2.603 15.222 2.125 1.00 1.33 C ATOM 0 HA LEU A 4 -0.769 17.962 4.653 1.00 1.33 H new ATOM 0 HB2 LEU A 4 -3.218 17.363 3.958 1.00 1.31 H new ATOM 0 HB3 LEU A 4 -2.700 17.778 2.336 1.00 1.31 H new ATOM 0 HG LEU A 4 -0.762 16.101 2.739 1.00 1.33 H new ATOM 0 HD11 LEU A 4 -1.314 14.283 4.313 1.00 1.71 H new ATOM 0 HD12 LEU A 4 -1.088 15.837 5.151 1.00 1.71 H new ATOM 0 HD13 LEU A 4 -2.729 15.206 4.874 1.00 1.71 H new ATOM 0 HD21 LEU A 4 -2.181 14.223 2.012 1.00 1.33 H new ATOM 0 HD22 LEU A 4 -3.630 15.144 2.482 1.00 1.33 H new ATOM 0 HD23 LEU A 4 -2.592 15.732 1.162 1.00 1.33 H new ATOM 20 N THR A 5 0.542 18.141 2.410 1.00 1.17 N ATOM 21 CA THR A 5 1.480 18.495 1.365 1.00 1.07 C ATOM 22 C THR A 5 0.770 18.599 0.017 1.00 0.97 C ATOM 23 O THR A 5 0.040 17.685 -0.376 1.00 0.96 O ATOM 24 CB THR A 5 2.597 17.442 1.276 1.00 1.11 C ATOM 25 OG1 THR A 5 2.138 16.207 1.849 1.00 1.25 O ATOM 26 CG2 THR A 5 3.851 17.911 1.997 1.00 1.21 C ATOM 0 H THR A 5 0.714 17.229 2.834 1.00 1.17 H new ATOM 0 HA THR A 5 1.915 19.464 1.611 1.00 1.07 H new ATOM 0 HB THR A 5 2.847 17.291 0.226 1.00 1.11 H new ATOM 0 HG1 THR A 5 2.652 15.461 1.474 1.00 1.25 H new ATOM 0 HG21 THR A 5 4.624 17.146 1.918 1.00 1.21 H new ATOM 0 HG22 THR A 5 4.207 18.836 1.543 1.00 1.21 H new ATOM 0 HG23 THR A 5 3.622 18.087 3.048 1.00 1.21 H new ATOM 34 N GLU A 6 0.990 19.710 -0.679 1.00 0.93 N ATOM 35 CA GLU A 6 0.372 19.952 -1.979 1.00 0.88 C ATOM 36 C GLU A 6 0.744 18.865 -2.982 1.00 0.84 C ATOM 37 O GLU A 6 -0.086 18.452 -3.793 1.00 0.82 O ATOM 38 CB GLU A 6 0.792 21.324 -2.512 1.00 0.92 C ATOM 39 CG GLU A 6 0.014 22.486 -1.913 1.00 1.07 C ATOM 40 CD GLU A 6 0.677 23.823 -2.176 1.00 1.44 C ATOM 41 OE1 GLU A 6 0.605 24.309 -3.327 1.00 1.97 O ATOM 42 OE2 GLU A 6 1.278 24.396 -1.240 1.00 1.91 O ATOM 0 H GLU A 6 1.598 20.464 -0.360 1.00 0.93 H new ATOM 0 HA GLU A 6 -0.710 19.932 -1.847 1.00 0.88 H new ATOM 0 HB2 GLU A 6 1.854 21.470 -2.313 1.00 0.92 H new ATOM 0 HB3 GLU A 6 0.666 21.336 -3.595 1.00 0.92 H new ATOM 0 HG2 GLU A 6 -0.994 22.496 -2.327 1.00 1.07 H new ATOM 0 HG3 GLU A 6 -0.084 22.338 -0.838 1.00 1.07 H new ATOM 49 N GLU A 7 1.988 18.405 -2.915 1.00 0.86 N ATOM 50 CA GLU A 7 2.472 17.365 -3.806 1.00 0.85 C ATOM 51 C GLU A 7 1.660 16.091 -3.637 1.00 0.84 C ATOM 52 O GLU A 7 1.262 15.471 -4.622 1.00 0.82 O ATOM 53 CB GLU A 7 3.948 17.082 -3.542 1.00 0.90 C ATOM 54 CG GLU A 7 4.852 18.292 -3.768 1.00 1.18 C ATOM 55 CD GLU A 7 5.122 19.073 -2.501 1.00 1.58 C ATOM 56 OE1 GLU A 7 4.164 19.371 -1.760 1.00 1.76 O ATOM 57 OE2 GLU A 7 6.300 19.394 -2.248 1.00 1.98 O ATOM 0 H GLU A 7 2.682 18.741 -2.247 1.00 0.86 H new ATOM 0 HA GLU A 7 2.358 17.716 -4.831 1.00 0.85 H new ATOM 0 HB2 GLU A 7 4.065 16.738 -2.514 1.00 0.90 H new ATOM 0 HB3 GLU A 7 4.275 16.269 -4.190 1.00 0.90 H new ATOM 0 HG2 GLU A 7 5.799 17.957 -4.191 1.00 1.18 H new ATOM 0 HG3 GLU A 7 4.390 18.951 -4.503 1.00 1.18 H new ATOM 64 N GLN A 8 1.417 15.704 -2.384 1.00 0.87 N ATOM 65 CA GLN A 8 0.639 14.512 -2.096 1.00 0.89 C ATOM 66 C GLN A 8 -0.751 14.654 -2.681 1.00 0.83 C ATOM 67 O GLN A 8 -1.248 13.747 -3.343 1.00 0.81 O ATOM 68 CB GLN A 8 0.568 14.256 -0.591 1.00 0.99 C ATOM 69 CG GLN A 8 1.617 13.264 -0.104 1.00 1.24 C ATOM 70 CD GLN A 8 3.036 13.742 -0.335 1.00 1.43 C ATOM 71 OE1 GLN A 8 3.637 14.376 0.530 1.00 1.54 O ATOM 72 NE2 GLN A 8 3.580 13.444 -1.505 1.00 1.62 N ATOM 0 H GLN A 8 1.750 16.202 -1.558 1.00 0.87 H new ATOM 0 HA GLN A 8 1.131 13.655 -2.555 1.00 0.89 H new ATOM 0 HB2 GLN A 8 0.696 15.200 -0.061 1.00 0.99 H new ATOM 0 HB3 GLN A 8 -0.424 13.880 -0.339 1.00 0.99 H new ATOM 0 HG2 GLN A 8 1.470 13.081 0.960 1.00 1.24 H new ATOM 0 HG3 GLN A 8 1.473 12.311 -0.614 1.00 1.24 H new ATOM 0 HE21 GLN A 8 3.047 12.916 -2.196 1.00 1.62 H new ATOM 0 HE22 GLN A 8 4.532 13.743 -1.716 1.00 1.62 H new ATOM 81 N ILE A 9 -1.372 15.793 -2.416 1.00 0.84 N ATOM 82 CA ILE A 9 -2.698 16.088 -2.943 1.00 0.83 C ATOM 83 C ILE A 9 -2.727 15.904 -4.462 1.00 0.77 C ATOM 84 O ILE A 9 -3.679 15.353 -5.013 1.00 0.78 O ATOM 85 CB ILE A 9 -3.135 17.525 -2.564 1.00 0.87 C ATOM 86 CG1 ILE A 9 -3.245 17.661 -1.041 1.00 0.92 C ATOM 87 CG2 ILE A 9 -4.452 17.897 -3.228 1.00 0.92 C ATOM 88 CD1 ILE A 9 -4.303 16.782 -0.423 1.00 1.13 C ATOM 0 H ILE A 9 -0.977 16.533 -1.836 1.00 0.84 H new ATOM 0 HA ILE A 9 -3.403 15.387 -2.496 1.00 0.83 H new ATOM 0 HB ILE A 9 -2.374 18.215 -2.927 1.00 0.87 H new ATOM 0 HG12 ILE A 9 -2.280 17.420 -0.594 1.00 0.92 H new ATOM 0 HG13 ILE A 9 -3.460 18.700 -0.794 1.00 0.92 H new ATOM 0 HG21 ILE A 9 -4.730 18.911 -2.941 1.00 0.92 H new ATOM 0 HG22 ILE A 9 -4.341 17.843 -4.311 1.00 0.92 H new ATOM 0 HG23 ILE A 9 -5.230 17.203 -2.908 1.00 0.92 H new ATOM 0 HD11 ILE A 9 -4.319 16.936 0.656 1.00 1.13 H new ATOM 0 HD12 ILE A 9 -5.277 17.037 -0.840 1.00 1.13 H new ATOM 0 HD13 ILE A 9 -4.079 15.737 -0.638 1.00 1.13 H new ATOM 100 N ALA A 10 -1.669 16.344 -5.128 1.00 0.74 N ATOM 101 CA ALA A 10 -1.574 16.209 -6.574 1.00 0.71 C ATOM 102 C ALA A 10 -1.462 14.736 -6.977 1.00 0.68 C ATOM 103 O ALA A 10 -2.049 14.303 -7.973 1.00 0.70 O ATOM 104 CB ALA A 10 -0.388 17.003 -7.114 1.00 0.74 C ATOM 0 H ALA A 10 -0.866 16.797 -4.691 1.00 0.74 H new ATOM 0 HA ALA A 10 -2.486 16.614 -7.012 1.00 0.71 H new ATOM 0 HB1 ALA A 10 -0.336 16.888 -8.197 1.00 0.74 H new ATOM 0 HB2 ALA A 10 -0.513 18.057 -6.867 1.00 0.74 H new ATOM 0 HB3 ALA A 10 0.533 16.632 -6.665 1.00 0.74 H new ATOM 110 N GLU A 11 -0.720 13.965 -6.190 1.00 0.68 N ATOM 111 CA GLU A 11 -0.553 12.546 -6.457 1.00 0.69 C ATOM 112 C GLU A 11 -1.875 11.818 -6.248 1.00 0.65 C ATOM 113 O GLU A 11 -2.293 11.014 -7.082 1.00 0.62 O ATOM 114 CB GLU A 11 0.518 11.929 -5.551 1.00 0.75 C ATOM 115 CG GLU A 11 1.898 12.534 -5.720 1.00 0.96 C ATOM 116 CD GLU A 11 2.937 11.869 -4.832 1.00 1.07 C ATOM 117 OE1 GLU A 11 2.760 11.852 -3.596 1.00 1.21 O ATOM 118 OE2 GLU A 11 3.936 11.346 -5.366 1.00 1.57 O ATOM 0 H GLU A 11 -0.226 14.301 -5.363 1.00 0.68 H new ATOM 0 HA GLU A 11 -0.231 12.437 -7.493 1.00 0.69 H new ATOM 0 HB2 GLU A 11 0.208 12.042 -4.512 1.00 0.75 H new ATOM 0 HB3 GLU A 11 0.575 10.859 -5.752 1.00 0.75 H new ATOM 0 HG2 GLU A 11 2.205 12.445 -6.762 1.00 0.96 H new ATOM 0 HG3 GLU A 11 1.855 13.599 -5.490 1.00 0.96 H new ATOM 125 N PHE A 12 -2.533 12.097 -5.124 1.00 0.67 N ATOM 126 CA PHE A 12 -3.815 11.468 -4.811 1.00 0.67 C ATOM 127 C PHE A 12 -4.881 11.860 -5.830 1.00 0.66 C ATOM 128 O PHE A 12 -5.802 11.087 -6.102 1.00 0.64 O ATOM 129 CB PHE A 12 -4.260 11.833 -3.395 1.00 0.73 C ATOM 130 CG PHE A 12 -3.239 11.481 -2.339 1.00 1.01 C ATOM 131 CD1 PHE A 12 -2.515 10.296 -2.415 1.00 1.39 C ATOM 132 CD2 PHE A 12 -2.994 12.338 -1.280 1.00 1.29 C ATOM 133 CE1 PHE A 12 -1.568 9.979 -1.459 1.00 1.80 C ATOM 134 CE2 PHE A 12 -2.051 12.026 -0.319 1.00 1.66 C ATOM 135 CZ PHE A 12 -1.334 10.842 -0.408 1.00 1.85 C ATOM 0 H PHE A 12 -2.201 12.753 -4.417 1.00 0.67 H new ATOM 0 HA PHE A 12 -3.683 10.387 -4.863 1.00 0.67 H new ATOM 0 HB2 PHE A 12 -4.465 12.903 -3.350 1.00 0.73 H new ATOM 0 HB3 PHE A 12 -5.195 11.320 -3.172 1.00 0.73 H new ATOM 0 HD1 PHE A 12 -2.695 9.614 -3.233 1.00 1.39 H new ATOM 0 HD2 PHE A 12 -3.547 13.263 -1.204 1.00 1.29 H new ATOM 0 HE1 PHE A 12 -1.012 9.056 -1.535 1.00 1.80 H new ATOM 0 HE2 PHE A 12 -1.872 12.705 0.502 1.00 1.66 H new ATOM 0 HZ PHE A 12 -0.596 10.597 0.342 1.00 1.85 H new ATOM 145 N LYS A 13 -4.771 13.076 -6.359 1.00 0.67 N ATOM 146 CA LYS A 13 -5.695 13.548 -7.387 1.00 0.69 C ATOM 147 C LYS A 13 -5.679 12.573 -8.568 1.00 0.64 C ATOM 148 O LYS A 13 -6.714 12.284 -9.178 1.00 0.64 O ATOM 149 CB LYS A 13 -5.312 14.958 -7.863 1.00 0.75 C ATOM 150 CG LYS A 13 -6.355 15.614 -8.759 1.00 0.91 C ATOM 151 CD LYS A 13 -6.024 17.080 -9.044 1.00 1.14 C ATOM 152 CE LYS A 13 -4.615 17.259 -9.601 1.00 1.25 C ATOM 153 NZ LYS A 13 -4.590 18.188 -10.763 1.00 1.50 N ATOM 0 H LYS A 13 -4.053 13.751 -6.094 1.00 0.67 H new ATOM 0 HA LYS A 13 -6.698 13.595 -6.963 1.00 0.69 H new ATOM 0 HB2 LYS A 13 -5.146 15.592 -6.992 1.00 0.75 H new ATOM 0 HB3 LYS A 13 -4.367 14.904 -8.403 1.00 0.75 H new ATOM 0 HG2 LYS A 13 -6.420 15.067 -9.700 1.00 0.91 H new ATOM 0 HG3 LYS A 13 -7.334 15.549 -8.284 1.00 0.91 H new ATOM 0 HD2 LYS A 13 -6.747 17.482 -9.754 1.00 1.14 H new ATOM 0 HD3 LYS A 13 -6.125 17.658 -8.125 1.00 1.14 H new ATOM 0 HE2 LYS A 13 -3.961 17.641 -8.817 1.00 1.25 H new ATOM 0 HE3 LYS A 13 -4.218 16.290 -9.903 1.00 1.25 H new ATOM 0 HZ1 LYS A 13 -3.615 18.282 -11.111 1.00 1.50 H new ATOM 0 HZ2 LYS A 13 -5.194 17.812 -11.521 1.00 1.50 H new ATOM 0 HZ3 LYS A 13 -4.944 19.121 -10.469 1.00 1.50 H new ATOM 167 N GLU A 14 -4.487 12.061 -8.865 1.00 0.61 N ATOM 168 CA GLU A 14 -4.300 11.102 -9.938 1.00 0.59 C ATOM 169 C GLU A 14 -4.909 9.761 -9.557 1.00 0.53 C ATOM 170 O GLU A 14 -5.516 9.094 -10.392 1.00 0.53 O ATOM 171 CB GLU A 14 -2.814 10.949 -10.259 1.00 0.63 C ATOM 172 CG GLU A 14 -2.503 9.777 -11.175 1.00 0.98 C ATOM 173 CD GLU A 14 -1.050 9.721 -11.579 1.00 1.04 C ATOM 174 OE1 GLU A 14 -0.205 9.366 -10.730 1.00 1.45 O ATOM 175 OE2 GLU A 14 -0.749 10.025 -12.755 1.00 1.64 O ATOM 0 H GLU A 14 -3.630 12.301 -8.368 1.00 0.61 H new ATOM 0 HA GLU A 14 -4.807 11.469 -10.830 1.00 0.59 H new ATOM 0 HB2 GLU A 14 -2.456 11.867 -10.725 1.00 0.63 H new ATOM 0 HB3 GLU A 14 -2.261 10.827 -9.328 1.00 0.63 H new ATOM 0 HG2 GLU A 14 -2.772 8.848 -10.673 1.00 0.98 H new ATOM 0 HG3 GLU A 14 -3.122 9.847 -12.070 1.00 0.98 H new ATOM 182 N ALA A 15 -4.750 9.372 -8.293 1.00 0.51 N ATOM 183 CA ALA A 15 -5.315 8.116 -7.805 1.00 0.47 C ATOM 184 C ALA A 15 -6.827 8.144 -7.977 1.00 0.45 C ATOM 185 O ALA A 15 -7.430 7.198 -8.482 1.00 0.44 O ATOM 186 CB ALA A 15 -4.939 7.885 -6.346 1.00 0.48 C ATOM 0 H ALA A 15 -4.237 9.906 -7.591 1.00 0.51 H new ATOM 0 HA ALA A 15 -4.905 7.289 -8.386 1.00 0.47 H new ATOM 0 HB1 ALA A 15 -5.370 6.944 -6.004 1.00 0.48 H new ATOM 0 HB2 ALA A 15 -3.854 7.842 -6.252 1.00 0.48 H new ATOM 0 HB3 ALA A 15 -5.324 8.703 -5.737 1.00 0.48 H new ATOM 192 N PHE A 16 -7.421 9.251 -7.559 1.00 0.46 N ATOM 193 CA PHE A 16 -8.853 9.461 -7.697 1.00 0.47 C ATOM 194 C PHE A 16 -9.256 9.354 -9.163 1.00 0.48 C ATOM 195 O PHE A 16 -10.320 8.836 -9.492 1.00 0.49 O ATOM 196 CB PHE A 16 -9.212 10.846 -7.164 1.00 0.54 C ATOM 197 CG PHE A 16 -10.403 10.868 -6.231 1.00 0.49 C ATOM 198 CD1 PHE A 16 -11.648 10.411 -6.647 1.00 0.78 C ATOM 199 CD2 PHE A 16 -10.281 11.369 -4.943 1.00 0.91 C ATOM 200 CE1 PHE A 16 -12.738 10.460 -5.797 1.00 1.11 C ATOM 201 CE2 PHE A 16 -11.369 11.412 -4.092 1.00 1.22 C ATOM 202 CZ PHE A 16 -12.596 10.957 -4.518 1.00 1.23 C ATOM 0 H PHE A 16 -6.926 10.026 -7.117 1.00 0.46 H new ATOM 0 HA PHE A 16 -9.387 8.700 -7.128 1.00 0.47 H new ATOM 0 HB2 PHE A 16 -8.348 11.255 -6.640 1.00 0.54 H new ATOM 0 HB3 PHE A 16 -9.415 11.505 -8.008 1.00 0.54 H new ATOM 0 HD1 PHE A 16 -11.765 10.014 -7.644 1.00 0.78 H new ATOM 0 HD2 PHE A 16 -9.323 11.730 -4.601 1.00 0.91 H new ATOM 0 HE1 PHE A 16 -13.702 10.109 -6.135 1.00 1.11 H new ATOM 0 HE2 PHE A 16 -11.256 11.803 -3.092 1.00 1.22 H new ATOM 0 HZ PHE A 16 -13.446 10.989 -3.852 1.00 1.23 H new ATOM 212 N SER A 17 -8.377 9.826 -10.036 1.00 0.52 N ATOM 213 CA SER A 17 -8.626 9.806 -11.470 1.00 0.56 C ATOM 214 C SER A 17 -8.572 8.380 -12.039 1.00 0.49 C ATOM 215 O SER A 17 -9.142 8.108 -13.098 1.00 0.55 O ATOM 216 CB SER A 17 -7.606 10.698 -12.184 1.00 0.64 C ATOM 217 OG SER A 17 -7.685 12.042 -11.731 1.00 0.77 O ATOM 0 H SER A 17 -7.478 10.230 -9.773 1.00 0.52 H new ATOM 0 HA SER A 17 -9.632 10.189 -11.641 1.00 0.56 H new ATOM 0 HB2 SER A 17 -6.601 10.313 -12.012 1.00 0.64 H new ATOM 0 HB3 SER A 17 -7.781 10.664 -13.259 1.00 0.64 H new ATOM 0 HG SER A 17 -7.193 12.133 -10.888 1.00 0.77 H new ATOM 223 N LEU A 18 -7.879 7.471 -11.352 1.00 0.42 N ATOM 224 CA LEU A 18 -7.794 6.096 -11.824 1.00 0.38 C ATOM 225 C LEU A 18 -8.928 5.270 -11.242 1.00 0.36 C ATOM 226 O LEU A 18 -9.404 4.349 -11.897 1.00 0.38 O ATOM 227 CB LEU A 18 -6.415 5.457 -11.550 1.00 0.42 C ATOM 228 CG LEU A 18 -6.163 4.921 -10.143 1.00 0.87 C ATOM 229 CD1 LEU A 18 -6.549 3.459 -10.040 1.00 1.43 C ATOM 230 CD2 LEU A 18 -4.706 5.108 -9.771 1.00 1.02 C ATOM 0 H LEU A 18 -7.378 7.660 -10.484 1.00 0.42 H new ATOM 0 HA LEU A 18 -7.902 6.112 -12.909 1.00 0.38 H new ATOM 0 HB2 LEU A 18 -6.277 4.637 -12.254 1.00 0.42 H new ATOM 0 HB3 LEU A 18 -5.648 6.200 -11.771 1.00 0.42 H new ATOM 0 HG LEU A 18 -6.784 5.483 -9.446 1.00 0.87 H new ATOM 0 HD11 LEU A 18 -6.359 3.103 -9.027 1.00 1.43 H new ATOM 0 HD12 LEU A 18 -7.608 3.345 -10.272 1.00 1.43 H new ATOM 0 HD13 LEU A 18 -5.958 2.876 -10.746 1.00 1.43 H new ATOM 0 HD21 LEU A 18 -4.535 4.723 -8.766 1.00 1.02 H new ATOM 0 HD22 LEU A 18 -4.078 4.567 -10.479 1.00 1.02 H new ATOM 0 HD23 LEU A 18 -4.456 6.169 -9.801 1.00 1.02 H new ATOM 242 N PHE A 19 -9.373 5.591 -10.025 1.00 0.35 N ATOM 243 CA PHE A 19 -10.489 4.866 -9.422 1.00 0.35 C ATOM 244 C PHE A 19 -11.795 5.238 -10.115 1.00 0.35 C ATOM 245 O PHE A 19 -12.611 4.378 -10.444 1.00 0.37 O ATOM 246 CB PHE A 19 -10.615 5.206 -7.929 1.00 0.35 C ATOM 247 CG PHE A 19 -9.675 4.453 -7.041 1.00 0.36 C ATOM 248 CD1 PHE A 19 -9.629 3.073 -7.083 1.00 0.41 C ATOM 249 CD2 PHE A 19 -8.840 5.125 -6.165 1.00 0.41 C ATOM 250 CE1 PHE A 19 -8.759 2.368 -6.270 1.00 0.50 C ATOM 251 CE2 PHE A 19 -7.973 4.431 -5.347 1.00 0.51 C ATOM 252 CZ PHE A 19 -7.923 3.051 -5.402 1.00 0.56 C ATOM 0 H PHE A 19 -8.984 6.336 -9.447 1.00 0.35 H new ATOM 0 HA PHE A 19 -10.295 3.800 -9.538 1.00 0.35 H new ATOM 0 HB2 PHE A 19 -10.443 6.274 -7.797 1.00 0.35 H new ATOM 0 HB3 PHE A 19 -11.637 5.005 -7.608 1.00 0.35 H new ATOM 0 HD1 PHE A 19 -10.280 2.538 -7.759 1.00 0.41 H new ATOM 0 HD2 PHE A 19 -8.868 6.204 -6.122 1.00 0.41 H new ATOM 0 HE1 PHE A 19 -8.732 1.289 -6.312 1.00 0.50 H new ATOM 0 HE2 PHE A 19 -7.332 4.967 -4.662 1.00 0.51 H new ATOM 0 HZ PHE A 19 -7.235 2.508 -4.771 1.00 0.56 H new ATOM 262 N ASP A 20 -11.976 6.534 -10.335 1.00 0.36 N ATOM 263 CA ASP A 20 -13.183 7.049 -10.967 1.00 0.38 C ATOM 264 C ASP A 20 -13.235 6.690 -12.450 1.00 0.44 C ATOM 265 O ASP A 20 -12.208 6.655 -13.132 1.00 0.50 O ATOM 266 CB ASP A 20 -13.257 8.564 -10.797 1.00 0.40 C ATOM 267 CG ASP A 20 -14.647 9.094 -11.034 1.00 0.43 C ATOM 268 OD1 ASP A 20 -15.016 9.282 -12.206 1.00 0.54 O ATOM 269 OD2 ASP A 20 -15.387 9.308 -10.045 1.00 0.42 O ATOM 0 H ASP A 20 -11.297 7.252 -10.083 1.00 0.36 H new ATOM 0 HA ASP A 20 -14.040 6.585 -10.478 1.00 0.38 H new ATOM 0 HB2 ASP A 20 -12.934 8.832 -9.791 1.00 0.40 H new ATOM 0 HB3 ASP A 20 -12.565 9.040 -11.491 1.00 0.40 H new ATOM 274 N LYS A 21 -14.435 6.409 -12.935 1.00 0.45 N ATOM 275 CA LYS A 21 -14.649 6.046 -14.330 1.00 0.52 C ATOM 276 C LYS A 21 -15.925 6.702 -14.864 1.00 0.55 C ATOM 277 O LYS A 21 -16.428 6.322 -15.925 1.00 0.72 O ATOM 278 CB LYS A 21 -14.753 4.518 -14.480 1.00 0.53 C ATOM 279 CG LYS A 21 -13.510 3.759 -14.031 1.00 0.58 C ATOM 280 CD LYS A 21 -12.508 3.596 -15.162 1.00 0.71 C ATOM 281 CE LYS A 21 -11.080 3.504 -14.634 1.00 0.73 C ATOM 282 NZ LYS A 21 -10.509 4.848 -14.342 1.00 0.62 N ATOM 0 H LYS A 21 -15.287 6.426 -12.375 1.00 0.45 H new ATOM 0 HA LYS A 21 -13.796 6.403 -14.908 1.00 0.52 H new ATOM 0 HB2 LYS A 21 -15.608 4.165 -13.904 1.00 0.53 H new ATOM 0 HB3 LYS A 21 -14.953 4.280 -15.525 1.00 0.53 H new ATOM 0 HG2 LYS A 21 -13.040 4.289 -13.203 1.00 0.58 H new ATOM 0 HG3 LYS A 21 -13.799 2.777 -13.657 1.00 0.58 H new ATOM 0 HD2 LYS A 21 -12.745 2.698 -15.733 1.00 0.71 H new ATOM 0 HD3 LYS A 21 -12.590 4.440 -15.847 1.00 0.71 H new ATOM 0 HE2 LYS A 21 -11.066 2.899 -13.728 1.00 0.73 H new ATOM 0 HE3 LYS A 21 -10.454 2.995 -15.367 1.00 0.73 H new ATOM 0 HZ1 LYS A 21 -9.785 4.764 -13.601 1.00 0.62 H new ATOM 0 HZ2 LYS A 21 -10.078 5.237 -15.205 1.00 0.62 H new ATOM 0 HZ3 LYS A 21 -11.265 5.483 -14.016 1.00 0.62 H new ATOM 296 N ASP A 22 -16.452 7.690 -14.139 1.00 0.49 N ATOM 297 CA ASP A 22 -17.680 8.370 -14.571 1.00 0.52 C ATOM 298 C ASP A 22 -17.481 9.876 -14.698 1.00 0.53 C ATOM 299 O ASP A 22 -18.249 10.551 -15.382 1.00 0.57 O ATOM 300 CB ASP A 22 -18.871 8.070 -13.639 1.00 0.51 C ATOM 301 CG ASP A 22 -18.592 8.341 -12.172 1.00 0.47 C ATOM 302 OD1 ASP A 22 -17.837 9.273 -11.854 1.00 0.47 O ATOM 303 OD2 ASP A 22 -19.119 7.612 -11.307 1.00 0.47 O ATOM 0 H ASP A 22 -16.058 8.035 -13.264 1.00 0.49 H new ATOM 0 HA ASP A 22 -17.915 7.970 -15.557 1.00 0.52 H new ATOM 0 HB2 ASP A 22 -19.725 8.671 -13.953 1.00 0.51 H new ATOM 0 HB3 ASP A 22 -19.157 7.025 -13.757 1.00 0.51 H new ATOM 308 N GLY A 23 -16.459 10.397 -14.039 1.00 0.52 N ATOM 309 CA GLY A 23 -16.173 11.816 -14.100 1.00 0.55 C ATOM 310 C GLY A 23 -17.006 12.617 -13.114 1.00 0.54 C ATOM 311 O GLY A 23 -17.209 13.816 -13.296 1.00 0.59 O ATOM 0 H GLY A 23 -15.817 9.858 -13.458 1.00 0.52 H new ATOM 0 HA2 GLY A 23 -15.115 11.980 -13.895 1.00 0.55 H new ATOM 0 HA3 GLY A 23 -16.362 12.179 -15.110 1.00 0.55 H new ATOM 315 N ASP A 24 -17.520 11.958 -12.084 1.00 0.50 N ATOM 316 CA ASP A 24 -18.326 12.645 -11.076 1.00 0.51 C ATOM 317 C ASP A 24 -17.439 13.145 -9.936 1.00 0.51 C ATOM 318 O ASP A 24 -17.803 14.078 -9.219 1.00 0.58 O ATOM 319 CB ASP A 24 -19.462 11.742 -10.559 1.00 0.50 C ATOM 320 CG ASP A 24 -19.161 11.105 -9.220 1.00 0.47 C ATOM 321 OD1 ASP A 24 -18.346 10.155 -9.178 1.00 0.44 O ATOM 322 OD2 ASP A 24 -19.736 11.547 -8.207 1.00 0.57 O ATOM 0 H ASP A 24 -17.397 10.958 -11.922 1.00 0.50 H new ATOM 0 HA ASP A 24 -18.795 13.512 -11.542 1.00 0.51 H new ATOM 0 HB2 ASP A 24 -20.375 12.331 -10.476 1.00 0.50 H new ATOM 0 HB3 ASP A 24 -19.654 10.958 -11.291 1.00 0.50 H new ATOM 327 N GLY A 25 -16.275 12.526 -9.777 1.00 0.47 N ATOM 328 CA GLY A 25 -15.349 12.948 -8.746 1.00 0.50 C ATOM 329 C GLY A 25 -15.527 12.200 -7.446 1.00 0.50 C ATOM 330 O GLY A 25 -14.876 12.521 -6.454 1.00 0.74 O ATOM 0 H GLY A 25 -15.957 11.740 -10.344 1.00 0.47 H new ATOM 0 HA2 GLY A 25 -14.329 12.807 -9.103 1.00 0.50 H new ATOM 0 HA3 GLY A 25 -15.478 14.015 -8.565 1.00 0.50 H new ATOM 334 N THR A 26 -16.396 11.200 -7.439 1.00 0.41 N ATOM 335 CA THR A 26 -16.634 10.425 -6.234 1.00 0.39 C ATOM 336 C THR A 26 -16.447 8.929 -6.498 1.00 0.34 C ATOM 337 O THR A 26 -16.786 8.430 -7.575 1.00 0.37 O ATOM 338 CB THR A 26 -18.053 10.676 -5.690 1.00 0.42 C ATOM 339 OG1 THR A 26 -18.464 12.022 -5.992 1.00 0.47 O ATOM 340 CG2 THR A 26 -18.105 10.464 -4.182 1.00 0.46 C ATOM 0 H THR A 26 -16.944 10.909 -8.249 1.00 0.41 H new ATOM 0 HA THR A 26 -15.906 10.747 -5.490 1.00 0.39 H new ATOM 0 HB THR A 26 -18.728 9.966 -6.169 1.00 0.42 H new ATOM 0 HG1 THR A 26 -19.150 12.005 -6.691 1.00 0.47 H new ATOM 0 HG21 THR A 26 -19.118 10.648 -3.823 1.00 0.46 H new ATOM 0 HG22 THR A 26 -17.818 9.439 -3.949 1.00 0.46 H new ATOM 0 HG23 THR A 26 -17.417 11.154 -3.694 1.00 0.46 H new ATOM 348 N ILE A 27 -15.904 8.229 -5.510 1.00 0.33 N ATOM 349 CA ILE A 27 -15.664 6.798 -5.597 1.00 0.31 C ATOM 350 C ILE A 27 -16.971 6.028 -5.425 1.00 0.32 C ATOM 351 O ILE A 27 -17.810 6.416 -4.619 1.00 0.41 O ATOM 352 CB ILE A 27 -14.690 6.349 -4.480 1.00 0.33 C ATOM 353 CG1 ILE A 27 -13.232 6.697 -4.803 1.00 0.34 C ATOM 354 CG2 ILE A 27 -14.816 4.866 -4.228 1.00 0.37 C ATOM 355 CD1 ILE A 27 -12.570 7.563 -3.749 1.00 0.37 C ATOM 0 H ILE A 27 -15.617 8.642 -4.623 1.00 0.33 H new ATOM 0 HA ILE A 27 -15.234 6.590 -6.577 1.00 0.31 H new ATOM 0 HB ILE A 27 -14.970 6.897 -3.580 1.00 0.33 H new ATOM 0 HG12 ILE A 27 -12.662 5.774 -4.914 1.00 0.34 H new ATOM 0 HG13 ILE A 27 -13.194 7.213 -5.762 1.00 0.34 H new ATOM 0 HG21 ILE A 27 -14.123 4.571 -3.440 1.00 0.37 H new ATOM 0 HG22 ILE A 27 -15.836 4.635 -3.920 1.00 0.37 H new ATOM 0 HG23 ILE A 27 -14.580 4.320 -5.142 1.00 0.37 H new ATOM 0 HD11 ILE A 27 -11.541 7.770 -4.042 1.00 0.37 H new ATOM 0 HD12 ILE A 27 -13.116 8.502 -3.654 1.00 0.37 H new ATOM 0 HD13 ILE A 27 -12.577 7.041 -2.792 1.00 0.37 H new ATOM 367 N THR A 28 -17.148 4.959 -6.194 1.00 0.31 N ATOM 368 CA THR A 28 -18.327 4.117 -6.065 1.00 0.33 C ATOM 369 C THR A 28 -17.892 2.658 -5.909 1.00 0.32 C ATOM 370 O THR A 28 -16.695 2.357 -5.923 1.00 0.33 O ATOM 371 CB THR A 28 -19.293 4.241 -7.262 1.00 0.37 C ATOM 372 OG1 THR A 28 -18.627 3.882 -8.474 1.00 0.39 O ATOM 373 CG2 THR A 28 -19.843 5.652 -7.380 1.00 0.41 C ATOM 0 H THR A 28 -16.489 4.657 -6.912 1.00 0.31 H new ATOM 0 HA THR A 28 -18.869 4.457 -5.183 1.00 0.33 H new ATOM 0 HB THR A 28 -20.126 3.559 -7.090 1.00 0.37 H new ATOM 0 HG1 THR A 28 -17.884 4.500 -8.634 1.00 0.39 H new ATOM 0 HG21 THR A 28 -20.520 5.708 -8.232 1.00 0.41 H new ATOM 0 HG22 THR A 28 -20.384 5.909 -6.469 1.00 0.41 H new ATOM 0 HG23 THR A 28 -19.020 6.352 -7.524 1.00 0.41 H new ATOM 381 N THR A 29 -18.853 1.753 -5.797 1.00 0.32 N ATOM 382 CA THR A 29 -18.547 0.338 -5.633 1.00 0.34 C ATOM 383 C THR A 29 -18.209 -0.306 -6.975 1.00 0.34 C ATOM 384 O THR A 29 -17.311 -1.144 -7.082 1.00 0.38 O ATOM 385 CB THR A 29 -19.746 -0.399 -5.025 1.00 0.38 C ATOM 386 OG1 THR A 29 -20.898 0.450 -5.085 1.00 0.57 O ATOM 387 CG2 THR A 29 -19.467 -0.798 -3.595 1.00 0.60 C ATOM 0 H THR A 29 -19.849 1.972 -5.816 1.00 0.32 H new ATOM 0 HA THR A 29 -17.686 0.261 -4.968 1.00 0.34 H new ATOM 0 HB THR A 29 -19.929 -1.309 -5.596 1.00 0.38 H new ATOM 0 HG1 THR A 29 -21.669 -0.017 -4.699 1.00 0.57 H new ATOM 0 HG21 THR A 29 -20.333 -1.319 -3.187 1.00 0.60 H new ATOM 0 HG22 THR A 29 -18.599 -1.457 -3.564 1.00 0.60 H new ATOM 0 HG23 THR A 29 -19.267 0.094 -3.001 1.00 0.60 H new ATOM 395 N LYS A 30 -18.924 0.118 -8.004 1.00 0.35 N ATOM 396 CA LYS A 30 -18.756 -0.426 -9.342 1.00 0.39 C ATOM 397 C LYS A 30 -17.465 0.082 -10.012 1.00 0.36 C ATOM 398 O LYS A 30 -16.890 -0.611 -10.851 1.00 0.37 O ATOM 399 CB LYS A 30 -19.977 -0.059 -10.187 1.00 0.46 C ATOM 400 CG LYS A 30 -20.196 -0.950 -11.385 1.00 0.74 C ATOM 401 CD LYS A 30 -21.375 -0.462 -12.212 1.00 1.11 C ATOM 402 CE LYS A 30 -21.559 -1.299 -13.463 1.00 1.68 C ATOM 403 NZ LYS A 30 -22.550 -0.697 -14.387 1.00 2.22 N ATOM 0 H LYS A 30 -19.635 0.846 -7.936 1.00 0.35 H new ATOM 0 HA LYS A 30 -18.669 -1.510 -9.265 1.00 0.39 H new ATOM 0 HB2 LYS A 30 -20.865 -0.095 -9.556 1.00 0.46 H new ATOM 0 HB3 LYS A 30 -19.871 0.970 -10.529 1.00 0.46 H new ATOM 0 HG2 LYS A 30 -19.297 -0.967 -12.000 1.00 0.74 H new ATOM 0 HG3 LYS A 30 -20.376 -1.973 -11.055 1.00 0.74 H new ATOM 0 HD2 LYS A 30 -22.283 -0.500 -11.611 1.00 1.11 H new ATOM 0 HD3 LYS A 30 -21.220 0.580 -12.490 1.00 1.11 H new ATOM 0 HE2 LYS A 30 -20.602 -1.404 -13.974 1.00 1.68 H new ATOM 0 HE3 LYS A 30 -21.883 -2.302 -13.185 1.00 1.68 H new ATOM 0 HZ1 LYS A 30 -22.648 -1.298 -15.230 1.00 2.22 H new ATOM 0 HZ2 LYS A 30 -23.470 -0.620 -13.908 1.00 2.22 H new ATOM 0 HZ3 LYS A 30 -22.228 0.250 -14.672 1.00 2.22 H new ATOM 417 N GLU A 31 -16.988 1.269 -9.622 1.00 0.37 N ATOM 418 CA GLU A 31 -15.792 1.830 -10.227 1.00 0.37 C ATOM 419 C GLU A 31 -14.549 1.115 -9.714 1.00 0.36 C ATOM 420 O GLU A 31 -13.713 0.647 -10.496 1.00 0.38 O ATOM 421 CB GLU A 31 -15.715 3.333 -9.935 1.00 0.37 C ATOM 422 CG GLU A 31 -16.627 4.176 -10.824 1.00 0.42 C ATOM 423 CD GLU A 31 -16.721 5.624 -10.379 1.00 0.40 C ATOM 424 OE1 GLU A 31 -17.211 5.898 -9.267 1.00 0.39 O ATOM 425 OE2 GLU A 31 -16.320 6.516 -11.142 1.00 0.42 O ATOM 0 H GLU A 31 -17.412 1.849 -8.898 1.00 0.37 H new ATOM 0 HA GLU A 31 -15.841 1.687 -11.306 1.00 0.37 H new ATOM 0 HB2 GLU A 31 -15.978 3.506 -8.891 1.00 0.37 H new ATOM 0 HB3 GLU A 31 -14.686 3.667 -10.064 1.00 0.37 H new ATOM 0 HG2 GLU A 31 -16.259 4.141 -11.849 1.00 0.42 H new ATOM 0 HG3 GLU A 31 -17.625 3.738 -10.829 1.00 0.42 H new ATOM 432 N LEU A 32 -14.441 0.998 -8.389 1.00 0.35 N ATOM 433 CA LEU A 32 -13.300 0.359 -7.760 1.00 0.35 C ATOM 434 C LEU A 32 -13.264 -1.129 -8.071 1.00 0.36 C ATOM 435 O LEU A 32 -12.196 -1.704 -8.295 1.00 0.38 O ATOM 436 CB LEU A 32 -13.338 0.580 -6.239 1.00 0.35 C ATOM 437 CG LEU A 32 -12.694 1.882 -5.730 1.00 0.41 C ATOM 438 CD1 LEU A 32 -13.183 3.079 -6.522 1.00 0.50 C ATOM 439 CD2 LEU A 32 -12.995 2.067 -4.257 1.00 0.44 C ATOM 0 H LEU A 32 -15.141 1.343 -7.732 1.00 0.35 H new ATOM 0 HA LEU A 32 -12.395 0.813 -8.164 1.00 0.35 H new ATOM 0 HB2 LEU A 32 -14.379 0.562 -5.915 1.00 0.35 H new ATOM 0 HB3 LEU A 32 -12.840 -0.261 -5.757 1.00 0.35 H new ATOM 0 HG LEU A 32 -11.615 1.807 -5.867 1.00 0.41 H new ATOM 0 HD11 LEU A 32 -12.712 3.985 -6.141 1.00 0.50 H new ATOM 0 HD12 LEU A 32 -12.924 2.950 -7.573 1.00 0.50 H new ATOM 0 HD13 LEU A 32 -14.265 3.164 -6.422 1.00 0.50 H new ATOM 0 HD21 LEU A 32 -12.536 2.991 -3.905 1.00 0.44 H new ATOM 0 HD22 LEU A 32 -14.074 2.119 -4.110 1.00 0.44 H new ATOM 0 HD23 LEU A 32 -12.593 1.224 -3.695 1.00 0.44 H new ATOM 451 N GLY A 33 -14.447 -1.746 -8.103 1.00 0.39 N ATOM 452 CA GLY A 33 -14.538 -3.167 -8.402 1.00 0.42 C ATOM 453 C GLY A 33 -13.930 -3.508 -9.750 1.00 0.46 C ATOM 454 O GLY A 33 -13.336 -4.571 -9.930 1.00 0.50 O ATOM 0 H GLY A 33 -15.341 -1.287 -7.927 1.00 0.39 H new ATOM 0 HA2 GLY A 33 -14.030 -3.734 -7.622 1.00 0.42 H new ATOM 0 HA3 GLY A 33 -15.584 -3.473 -8.389 1.00 0.42 H new ATOM 458 N THR A 34 -14.065 -2.584 -10.690 1.00 0.46 N ATOM 459 CA THR A 34 -13.530 -2.771 -12.029 1.00 0.52 C ATOM 460 C THR A 34 -12.011 -2.875 -11.967 1.00 0.53 C ATOM 461 O THR A 34 -11.418 -3.710 -12.651 1.00 0.56 O ATOM 462 CB THR A 34 -13.945 -1.613 -12.959 1.00 0.54 C ATOM 463 OG1 THR A 34 -15.370 -1.480 -12.969 1.00 0.58 O ATOM 464 CG2 THR A 34 -13.440 -1.832 -14.381 1.00 0.60 C ATOM 0 H THR A 34 -14.543 -1.694 -10.548 1.00 0.46 H new ATOM 0 HA THR A 34 -13.940 -3.695 -12.437 1.00 0.52 H new ATOM 0 HB THR A 34 -13.494 -0.698 -12.575 1.00 0.54 H new ATOM 0 HG1 THR A 34 -15.674 -1.155 -12.096 1.00 0.58 H new ATOM 0 HG21 THR A 34 -13.750 -0.997 -15.010 1.00 0.60 H new ATOM 0 HG22 THR A 34 -12.352 -1.897 -14.375 1.00 0.60 H new ATOM 0 HG23 THR A 34 -13.856 -2.758 -14.776 1.00 0.60 H new ATOM 472 N VAL A 35 -11.392 -2.057 -11.127 1.00 0.53 N ATOM 473 CA VAL A 35 -9.932 -2.061 -10.973 1.00 0.55 C ATOM 474 C VAL A 35 -9.457 -3.341 -10.289 1.00 0.57 C ATOM 475 O VAL A 35 -8.504 -3.979 -10.733 1.00 0.58 O ATOM 476 CB VAL A 35 -9.454 -0.836 -10.166 1.00 0.58 C ATOM 477 CG1 VAL A 35 -7.935 -0.749 -10.140 1.00 0.63 C ATOM 478 CG2 VAL A 35 -10.059 0.452 -10.721 1.00 0.60 C ATOM 0 H VAL A 35 -11.874 -1.378 -10.538 1.00 0.53 H new ATOM 0 HA VAL A 35 -9.501 -2.013 -11.973 1.00 0.55 H new ATOM 0 HB VAL A 35 -9.799 -0.962 -9.140 1.00 0.58 H new ATOM 0 HG11 VAL A 35 -7.630 0.125 -9.564 1.00 0.63 H new ATOM 0 HG12 VAL A 35 -7.527 -1.648 -9.679 1.00 0.63 H new ATOM 0 HG13 VAL A 35 -7.558 -0.661 -11.159 1.00 0.63 H new ATOM 0 HG21 VAL A 35 -9.707 1.301 -10.135 1.00 0.60 H new ATOM 0 HG22 VAL A 35 -9.756 0.578 -11.761 1.00 0.60 H new ATOM 0 HG23 VAL A 35 -11.146 0.398 -10.664 1.00 0.60 H new ATOM 488 N MET A 36 -10.145 -3.730 -9.227 1.00 0.58 N ATOM 489 CA MET A 36 -9.782 -4.939 -8.484 1.00 0.62 C ATOM 490 C MET A 36 -10.031 -6.188 -9.339 1.00 0.62 C ATOM 491 O MET A 36 -9.563 -7.280 -9.028 1.00 0.67 O ATOM 492 CB MET A 36 -10.580 -5.038 -7.187 1.00 0.65 C ATOM 493 CG MET A 36 -9.916 -5.911 -6.122 1.00 0.82 C ATOM 494 SD MET A 36 -11.074 -6.503 -4.866 1.00 0.92 S ATOM 495 CE MET A 36 -12.033 -5.022 -4.552 1.00 1.07 C ATOM 0 H MET A 36 -10.955 -3.233 -8.857 1.00 0.58 H new ATOM 0 HA MET A 36 -8.721 -4.878 -8.240 1.00 0.62 H new ATOM 0 HB2 MET A 36 -10.726 -4.036 -6.783 1.00 0.65 H new ATOM 0 HB3 MET A 36 -11.569 -5.440 -7.409 1.00 0.65 H new ATOM 0 HG2 MET A 36 -9.444 -6.767 -6.605 1.00 0.82 H new ATOM 0 HG3 MET A 36 -9.123 -5.342 -5.637 1.00 0.82 H new ATOM 0 HE1 MET A 36 -12.915 -5.277 -3.965 1.00 1.07 H new ATOM 0 HE2 MET A 36 -11.425 -4.305 -4.000 1.00 1.07 H new ATOM 0 HE3 MET A 36 -12.343 -4.582 -5.500 1.00 1.07 H new ATOM 505 N ARG A 37 -10.734 -5.995 -10.449 1.00 0.60 N ATOM 506 CA ARG A 37 -11.043 -7.083 -11.363 1.00 0.63 C ATOM 507 C ARG A 37 -9.847 -7.307 -12.279 1.00 0.65 C ATOM 508 O ARG A 37 -9.450 -8.443 -12.541 1.00 0.68 O ATOM 509 CB ARG A 37 -12.298 -6.761 -12.161 1.00 0.64 C ATOM 510 CG ARG A 37 -12.578 -7.740 -13.288 1.00 0.72 C ATOM 511 CD ARG A 37 -12.895 -7.012 -14.581 1.00 0.83 C ATOM 512 NE ARG A 37 -11.909 -5.974 -14.873 1.00 0.86 N ATOM 513 CZ ARG A 37 -11.676 -5.491 -16.086 1.00 1.25 C ATOM 514 NH1 ARG A 37 -12.360 -5.941 -17.132 1.00 1.82 N ATOM 515 NH2 ARG A 37 -10.755 -4.555 -16.253 1.00 1.32 N ATOM 0 H ARG A 37 -11.102 -5.088 -10.737 1.00 0.60 H new ATOM 0 HA ARG A 37 -11.238 -7.998 -10.803 1.00 0.63 H new ATOM 0 HB2 ARG A 37 -13.153 -6.746 -11.485 1.00 0.64 H new ATOM 0 HB3 ARG A 37 -12.204 -5.758 -12.578 1.00 0.64 H new ATOM 0 HG2 ARG A 37 -11.713 -8.387 -13.434 1.00 0.72 H new ATOM 0 HG3 ARG A 37 -13.415 -8.383 -13.015 1.00 0.72 H new ATOM 0 HD2 ARG A 37 -12.925 -7.727 -15.403 1.00 0.83 H new ATOM 0 HD3 ARG A 37 -13.886 -6.563 -14.512 1.00 0.83 H new ATOM 0 HE ARG A 37 -11.366 -5.598 -14.096 1.00 0.86 H new ATOM 0 HH11 ARG A 37 -13.070 -6.663 -17.005 1.00 1.82 H new ATOM 0 HH12 ARG A 37 -12.176 -5.565 -18.062 1.00 1.82 H new ATOM 0 HH21 ARG A 37 -10.229 -4.209 -15.451 1.00 1.32 H new ATOM 0 HH22 ARG A 37 -10.572 -4.180 -17.184 1.00 1.32 H new ATOM 529 N SER A 38 -9.250 -6.211 -12.737 1.00 0.64 N ATOM 530 CA SER A 38 -8.077 -6.281 -13.605 1.00 0.68 C ATOM 531 C SER A 38 -6.850 -6.749 -12.829 1.00 0.66 C ATOM 532 O SER A 38 -5.850 -7.160 -13.413 1.00 0.69 O ATOM 533 CB SER A 38 -7.814 -4.916 -14.238 1.00 0.70 C ATOM 534 OG SER A 38 -8.963 -4.088 -14.130 1.00 0.80 O ATOM 0 H SER A 38 -9.559 -5.263 -12.522 1.00 0.64 H new ATOM 0 HA SER A 38 -8.276 -7.007 -14.393 1.00 0.68 H new ATOM 0 HB2 SER A 38 -6.967 -4.438 -13.747 1.00 0.70 H new ATOM 0 HB3 SER A 38 -7.546 -5.041 -15.287 1.00 0.70 H new ATOM 0 HG SER A 38 -8.825 -3.267 -14.647 1.00 0.80 H new ATOM 540 N LEU A 39 -6.943 -6.705 -11.508 1.00 0.66 N ATOM 541 CA LEU A 39 -5.846 -7.138 -10.656 1.00 0.67 C ATOM 542 C LEU A 39 -5.812 -8.656 -10.541 1.00 0.73 C ATOM 543 O LEU A 39 -4.924 -9.218 -9.902 1.00 0.86 O ATOM 544 CB LEU A 39 -5.967 -6.511 -9.272 1.00 0.62 C ATOM 545 CG LEU A 39 -5.565 -5.034 -9.185 1.00 0.58 C ATOM 546 CD1 LEU A 39 -5.850 -4.464 -7.799 1.00 0.60 C ATOM 547 CD2 LEU A 39 -4.099 -4.865 -9.522 1.00 0.57 C ATOM 0 H LEU A 39 -7.766 -6.374 -11.004 1.00 0.66 H new ATOM 0 HA LEU A 39 -4.914 -6.807 -11.113 1.00 0.67 H new ATOM 0 HB2 LEU A 39 -6.999 -6.610 -8.935 1.00 0.62 H new ATOM 0 HB3 LEU A 39 -5.349 -7.080 -8.578 1.00 0.62 H new ATOM 0 HG LEU A 39 -6.164 -4.483 -9.910 1.00 0.58 H new ATOM 0 HD11 LEU A 39 -5.554 -3.415 -7.769 1.00 0.60 H new ATOM 0 HD12 LEU A 39 -6.915 -4.547 -7.583 1.00 0.60 H new ATOM 0 HD13 LEU A 39 -5.284 -5.022 -7.053 1.00 0.60 H new ATOM 0 HD21 LEU A 39 -3.830 -3.811 -9.456 1.00 0.57 H new ATOM 0 HD22 LEU A 39 -3.495 -5.439 -8.819 1.00 0.57 H new ATOM 0 HD23 LEU A 39 -3.915 -5.224 -10.535 1.00 0.57 H new ATOM 559 N GLY A 40 -6.771 -9.309 -11.177 1.00 0.74 N ATOM 560 CA GLY A 40 -6.837 -10.754 -11.147 1.00 0.82 C ATOM 561 C GLY A 40 -7.665 -11.263 -10.000 1.00 0.79 C ATOM 562 O GLY A 40 -7.481 -12.390 -9.545 1.00 0.89 O ATOM 0 H GLY A 40 -7.510 -8.860 -11.717 1.00 0.74 H new ATOM 0 HA2 GLY A 40 -7.258 -11.116 -12.085 1.00 0.82 H new ATOM 0 HA3 GLY A 40 -5.828 -11.160 -11.073 1.00 0.82 H new ATOM 566 N GLN A 41 -8.584 -10.434 -9.539 1.00 0.80 N ATOM 567 CA GLN A 41 -9.466 -10.805 -8.452 1.00 0.79 C ATOM 568 C GLN A 41 -10.907 -10.557 -8.863 1.00 0.77 C ATOM 569 O GLN A 41 -11.189 -9.603 -9.584 1.00 0.92 O ATOM 570 CB GLN A 41 -9.156 -9.997 -7.194 1.00 0.82 C ATOM 571 CG GLN A 41 -7.980 -10.525 -6.391 1.00 0.93 C ATOM 572 CD GLN A 41 -7.567 -9.590 -5.269 1.00 1.02 C ATOM 573 OE1 GLN A 41 -8.069 -9.676 -4.145 1.00 1.25 O ATOM 574 NE2 GLN A 41 -6.644 -8.688 -5.565 1.00 1.23 N ATOM 0 H GLN A 41 -8.738 -9.494 -9.904 1.00 0.80 H new ATOM 0 HA GLN A 41 -9.314 -11.862 -8.232 1.00 0.79 H new ATOM 0 HB2 GLN A 41 -8.953 -8.965 -7.479 1.00 0.82 H new ATOM 0 HB3 GLN A 41 -10.040 -9.984 -6.557 1.00 0.82 H new ATOM 0 HG2 GLN A 41 -8.240 -11.497 -5.971 1.00 0.93 H new ATOM 0 HG3 GLN A 41 -7.132 -10.682 -7.058 1.00 0.93 H new ATOM 0 HE21 GLN A 41 -6.253 -8.648 -6.506 1.00 1.23 H new ATOM 0 HE22 GLN A 41 -6.324 -8.033 -4.852 1.00 1.23 H new ATOM 583 N ASN A 42 -11.815 -11.406 -8.416 1.00 0.69 N ATOM 584 CA ASN A 42 -13.217 -11.243 -8.749 1.00 0.69 C ATOM 585 C ASN A 42 -14.062 -11.433 -7.493 1.00 0.65 C ATOM 586 O ASN A 42 -14.440 -12.554 -7.146 1.00 0.74 O ATOM 587 CB ASN A 42 -13.620 -12.237 -9.837 1.00 0.76 C ATOM 588 CG ASN A 42 -14.879 -11.824 -10.563 1.00 1.02 C ATOM 589 OD1 ASN A 42 -15.981 -12.203 -10.179 1.00 1.37 O ATOM 590 ND2 ASN A 42 -14.718 -11.044 -11.625 1.00 1.33 N ATOM 0 H ASN A 42 -11.608 -12.211 -7.825 1.00 0.69 H new ATOM 0 HA ASN A 42 -13.386 -10.238 -9.135 1.00 0.69 H new ATOM 0 HB2 ASN A 42 -12.806 -12.334 -10.555 1.00 0.76 H new ATOM 0 HB3 ASN A 42 -13.769 -13.220 -9.389 1.00 0.76 H new ATOM 0 HD21 ASN A 42 -15.530 -10.735 -12.159 1.00 1.33 H new ATOM 0 HD22 ASN A 42 -13.782 -10.754 -11.907 1.00 1.33 H new ATOM 597 N PRO A 43 -14.329 -10.334 -6.776 1.00 0.60 N ATOM 598 CA PRO A 43 -15.108 -10.341 -5.544 1.00 0.61 C ATOM 599 C PRO A 43 -16.606 -10.155 -5.789 1.00 0.56 C ATOM 600 O PRO A 43 -17.014 -9.548 -6.782 1.00 0.55 O ATOM 601 CB PRO A 43 -14.540 -9.137 -4.781 1.00 0.65 C ATOM 602 CG PRO A 43 -13.808 -8.288 -5.784 1.00 0.74 C ATOM 603 CD PRO A 43 -13.894 -8.979 -7.118 1.00 0.66 C ATOM 0 HA PRO A 43 -15.030 -11.291 -5.014 1.00 0.61 H new ATOM 0 HB2 PRO A 43 -15.340 -8.569 -4.305 1.00 0.65 H new ATOM 0 HB3 PRO A 43 -13.867 -9.465 -3.989 1.00 0.65 H new ATOM 0 HG2 PRO A 43 -14.251 -7.294 -5.839 1.00 0.74 H new ATOM 0 HG3 PRO A 43 -12.767 -8.157 -5.487 1.00 0.74 H new ATOM 0 HD2 PRO A 43 -14.605 -8.485 -7.780 1.00 0.66 H new ATOM 0 HD3 PRO A 43 -12.932 -8.984 -7.630 1.00 0.66 H new ATOM 611 N THR A 44 -17.427 -10.663 -4.878 1.00 0.58 N ATOM 612 CA THR A 44 -18.869 -10.537 -5.008 1.00 0.58 C ATOM 613 C THR A 44 -19.337 -9.217 -4.400 1.00 0.52 C ATOM 614 O THR A 44 -18.540 -8.490 -3.802 1.00 0.49 O ATOM 615 CB THR A 44 -19.601 -11.704 -4.318 1.00 0.67 C ATOM 616 OG1 THR A 44 -19.296 -11.711 -2.915 1.00 0.91 O ATOM 617 CG2 THR A 44 -19.214 -13.039 -4.951 1.00 1.04 C ATOM 0 H THR A 44 -17.118 -11.164 -4.045 1.00 0.58 H new ATOM 0 HA THR A 44 -19.108 -10.560 -6.071 1.00 0.58 H new ATOM 0 HB THR A 44 -20.674 -11.565 -4.449 1.00 0.67 H new ATOM 0 HG1 THR A 44 -18.443 -12.171 -2.768 1.00 0.91 H new ATOM 0 HG21 THR A 44 -19.743 -13.848 -4.447 1.00 1.04 H new ATOM 0 HG22 THR A 44 -19.483 -13.032 -6.007 1.00 1.04 H new ATOM 0 HG23 THR A 44 -18.139 -13.191 -4.851 1.00 1.04 H new ATOM 625 N GLU A 45 -20.629 -8.909 -4.551 1.00 0.53 N ATOM 626 CA GLU A 45 -21.199 -7.685 -4.007 1.00 0.54 C ATOM 627 C GLU A 45 -20.952 -7.594 -2.498 1.00 0.50 C ATOM 628 O GLU A 45 -20.857 -6.502 -1.943 1.00 0.54 O ATOM 629 CB GLU A 45 -22.700 -7.614 -4.292 1.00 0.62 C ATOM 630 CG GLU A 45 -23.224 -6.195 -4.401 1.00 0.97 C ATOM 631 CD GLU A 45 -24.349 -5.906 -3.424 1.00 1.50 C ATOM 632 OE1 GLU A 45 -25.470 -6.410 -3.634 1.00 2.18 O ATOM 633 OE2 GLU A 45 -24.122 -5.175 -2.438 1.00 1.89 O ATOM 0 H GLU A 45 -21.298 -9.497 -5.049 1.00 0.53 H new ATOM 0 HA GLU A 45 -20.708 -6.843 -4.494 1.00 0.54 H new ATOM 0 HB2 GLU A 45 -22.912 -8.144 -5.220 1.00 0.62 H new ATOM 0 HB3 GLU A 45 -23.238 -8.133 -3.499 1.00 0.62 H new ATOM 0 HG2 GLU A 45 -22.407 -5.496 -4.224 1.00 0.97 H new ATOM 0 HG3 GLU A 45 -23.578 -6.020 -5.417 1.00 0.97 H new ATOM 640 N ALA A 46 -20.817 -8.751 -1.844 1.00 0.51 N ATOM 641 CA ALA A 46 -20.569 -8.789 -0.414 1.00 0.54 C ATOM 642 C ALA A 46 -19.145 -8.295 -0.124 1.00 0.50 C ATOM 643 O ALA A 46 -18.907 -7.565 0.837 1.00 0.51 O ATOM 644 CB ALA A 46 -20.763 -10.204 0.115 1.00 0.63 C ATOM 0 H ALA A 46 -20.876 -9.668 -2.287 1.00 0.51 H new ATOM 0 HA ALA A 46 -21.279 -8.134 0.092 1.00 0.54 H new ATOM 0 HB1 ALA A 46 -20.574 -10.220 1.188 1.00 0.63 H new ATOM 0 HB2 ALA A 46 -21.786 -10.528 -0.079 1.00 0.63 H new ATOM 0 HB3 ALA A 46 -20.068 -10.878 -0.386 1.00 0.63 H new ATOM 650 N GLU A 47 -18.207 -8.693 -0.984 1.00 0.49 N ATOM 651 CA GLU A 47 -16.805 -8.289 -0.842 1.00 0.51 C ATOM 652 C GLU A 47 -16.633 -6.831 -1.254 1.00 0.49 C ATOM 653 O GLU A 47 -15.899 -6.071 -0.614 1.00 0.51 O ATOM 654 CB GLU A 47 -15.874 -9.158 -1.685 1.00 0.56 C ATOM 655 CG GLU A 47 -15.532 -10.483 -1.044 1.00 0.73 C ATOM 656 CD GLU A 47 -16.623 -11.504 -1.218 1.00 0.95 C ATOM 657 OE1 GLU A 47 -16.777 -12.032 -2.344 1.00 1.28 O ATOM 658 OE2 GLU A 47 -17.335 -11.776 -0.235 1.00 1.57 O ATOM 0 H GLU A 47 -18.391 -9.295 -1.787 1.00 0.49 H new ATOM 0 HA GLU A 47 -16.538 -8.416 0.207 1.00 0.51 H new ATOM 0 HB2 GLU A 47 -16.341 -9.343 -2.652 1.00 0.56 H new ATOM 0 HB3 GLU A 47 -14.952 -8.608 -1.876 1.00 0.56 H new ATOM 0 HG2 GLU A 47 -14.608 -10.865 -1.478 1.00 0.73 H new ATOM 0 HG3 GLU A 47 -15.346 -10.332 0.019 1.00 0.73 H new ATOM 665 N LEU A 48 -17.321 -6.453 -2.328 1.00 0.47 N ATOM 666 CA LEU A 48 -17.267 -5.091 -2.857 1.00 0.50 C ATOM 667 C LEU A 48 -17.854 -4.101 -1.868 1.00 0.48 C ATOM 668 O LEU A 48 -17.519 -2.924 -1.890 1.00 0.53 O ATOM 669 CB LEU A 48 -18.004 -5.000 -4.194 1.00 0.53 C ATOM 670 CG LEU A 48 -17.447 -5.893 -5.302 1.00 0.57 C ATOM 671 CD1 LEU A 48 -18.428 -5.969 -6.459 1.00 0.64 C ATOM 672 CD2 LEU A 48 -16.095 -5.380 -5.779 1.00 0.62 C ATOM 0 H LEU A 48 -17.930 -7.079 -2.855 1.00 0.47 H new ATOM 0 HA LEU A 48 -16.219 -4.837 -3.018 1.00 0.50 H new ATOM 0 HB2 LEU A 48 -19.051 -5.257 -4.033 1.00 0.53 H new ATOM 0 HB3 LEU A 48 -17.979 -3.965 -4.535 1.00 0.53 H new ATOM 0 HG LEU A 48 -17.306 -6.896 -4.899 1.00 0.57 H new ATOM 0 HD11 LEU A 48 -18.019 -6.608 -7.241 1.00 0.64 H new ATOM 0 HD12 LEU A 48 -19.373 -6.384 -6.108 1.00 0.64 H new ATOM 0 HD13 LEU A 48 -18.597 -4.969 -6.859 1.00 0.64 H new ATOM 0 HD21 LEU A 48 -15.717 -6.030 -6.568 1.00 0.62 H new ATOM 0 HD22 LEU A 48 -16.206 -4.367 -6.166 1.00 0.62 H new ATOM 0 HD23 LEU A 48 -15.393 -5.375 -4.945 1.00 0.62 H new ATOM 684 N GLN A 49 -18.686 -4.603 -0.974 1.00 0.48 N ATOM 685 CA GLN A 49 -19.316 -3.776 0.043 1.00 0.50 C ATOM 686 C GLN A 49 -18.415 -3.756 1.271 1.00 0.49 C ATOM 687 O GLN A 49 -18.161 -2.708 1.865 1.00 0.49 O ATOM 688 CB GLN A 49 -20.688 -4.363 0.393 1.00 0.57 C ATOM 689 CG GLN A 49 -21.848 -3.373 0.290 1.00 0.73 C ATOM 690 CD GLN A 49 -21.792 -2.517 -0.962 1.00 0.98 C ATOM 691 OE1 GLN A 49 -21.237 -1.419 -0.951 1.00 1.18 O ATOM 692 NE2 GLN A 49 -22.366 -3.018 -2.050 1.00 1.26 N ATOM 0 H GLN A 49 -18.944 -5.589 -0.931 1.00 0.48 H new ATOM 0 HA GLN A 49 -19.457 -2.758 -0.321 1.00 0.50 H new ATOM 0 HB2 GLN A 49 -20.887 -5.206 -0.268 1.00 0.57 H new ATOM 0 HB3 GLN A 49 -20.652 -4.756 1.409 1.00 0.57 H new ATOM 0 HG2 GLN A 49 -22.789 -3.923 0.305 1.00 0.73 H new ATOM 0 HG3 GLN A 49 -21.843 -2.725 1.166 1.00 0.73 H new ATOM 0 HE21 GLN A 49 -22.815 -3.933 -2.014 1.00 1.26 H new ATOM 0 HE22 GLN A 49 -22.358 -2.488 -2.921 1.00 1.26 H new ATOM 701 N ASP A 50 -17.895 -4.942 1.603 1.00 0.50 N ATOM 702 CA ASP A 50 -17.002 -5.131 2.730 1.00 0.53 C ATOM 703 C ASP A 50 -15.760 -4.264 2.569 1.00 0.50 C ATOM 704 O ASP A 50 -15.275 -3.660 3.524 1.00 0.53 O ATOM 705 CB ASP A 50 -16.596 -6.603 2.800 1.00 0.58 C ATOM 706 CG ASP A 50 -16.443 -7.124 4.210 1.00 0.81 C ATOM 707 OD1 ASP A 50 -17.428 -7.074 4.978 1.00 0.90 O ATOM 708 OD2 ASP A 50 -15.352 -7.626 4.545 1.00 1.38 O ATOM 0 H ASP A 50 -18.089 -5.800 1.087 1.00 0.50 H new ATOM 0 HA ASP A 50 -17.513 -4.842 3.649 1.00 0.53 H new ATOM 0 HB2 ASP A 50 -17.343 -7.202 2.280 1.00 0.58 H new ATOM 0 HB3 ASP A 50 -15.654 -6.737 2.268 1.00 0.58 H new ATOM 713 N MET A 51 -15.247 -4.227 1.344 1.00 0.47 N ATOM 714 CA MET A 51 -14.080 -3.422 1.007 1.00 0.47 C ATOM 715 C MET A 51 -14.279 -1.966 1.407 1.00 0.44 C ATOM 716 O MET A 51 -13.399 -1.353 2.017 1.00 0.46 O ATOM 717 CB MET A 51 -13.814 -3.499 -0.500 1.00 0.49 C ATOM 718 CG MET A 51 -12.871 -4.612 -0.892 1.00 0.54 C ATOM 719 SD MET A 51 -11.161 -4.248 -0.463 1.00 0.88 S ATOM 720 CE MET A 51 -10.341 -5.703 -1.114 1.00 1.38 C ATOM 0 H MET A 51 -15.628 -4.754 0.558 1.00 0.47 H new ATOM 0 HA MET A 51 -13.227 -3.819 1.558 1.00 0.47 H new ATOM 0 HB2 MET A 51 -14.761 -3.637 -1.021 1.00 0.49 H new ATOM 0 HB3 MET A 51 -13.400 -2.548 -0.836 1.00 0.49 H new ATOM 0 HG2 MET A 51 -13.178 -5.534 -0.399 1.00 0.54 H new ATOM 0 HG3 MET A 51 -12.944 -4.785 -1.966 1.00 0.54 H new ATOM 0 HE1 MET A 51 -9.375 -5.825 -0.625 1.00 1.38 H new ATOM 0 HE2 MET A 51 -10.957 -6.582 -0.926 1.00 1.38 H new ATOM 0 HE3 MET A 51 -10.192 -5.587 -2.188 1.00 1.38 H new ATOM 730 N ILE A 52 -15.417 -1.415 1.015 1.00 0.42 N ATOM 731 CA ILE A 52 -15.754 -0.035 1.322 1.00 0.43 C ATOM 732 C ILE A 52 -16.001 0.163 2.817 1.00 0.46 C ATOM 733 O ILE A 52 -15.701 1.219 3.363 1.00 0.46 O ATOM 734 CB ILE A 52 -17.002 0.417 0.548 1.00 0.43 C ATOM 735 CG1 ILE A 52 -16.917 -0.018 -0.924 1.00 0.43 C ATOM 736 CG2 ILE A 52 -17.158 1.927 0.652 1.00 0.48 C ATOM 737 CD1 ILE A 52 -15.764 0.593 -1.695 1.00 0.48 C ATOM 0 H ILE A 52 -16.129 -1.909 0.478 1.00 0.42 H new ATOM 0 HA ILE A 52 -14.900 0.570 1.019 1.00 0.43 H new ATOM 0 HB ILE A 52 -17.878 -0.058 0.989 1.00 0.43 H new ATOM 0 HG12 ILE A 52 -16.829 -1.104 -0.964 1.00 0.43 H new ATOM 0 HG13 ILE A 52 -17.850 0.245 -1.422 1.00 0.43 H new ATOM 0 HG21 ILE A 52 -18.045 2.240 0.101 1.00 0.48 H new ATOM 0 HG22 ILE A 52 -17.263 2.211 1.699 1.00 0.48 H new ATOM 0 HG23 ILE A 52 -16.278 2.414 0.231 1.00 0.48 H new ATOM 0 HD11 ILE A 52 -15.781 0.231 -2.723 1.00 0.48 H new ATOM 0 HD12 ILE A 52 -15.858 1.679 -1.691 1.00 0.48 H new ATOM 0 HD13 ILE A 52 -14.822 0.309 -1.226 1.00 0.48 H new ATOM 749 N ASN A 53 -16.519 -0.863 3.480 1.00 0.52 N ATOM 750 CA ASN A 53 -16.817 -0.792 4.921 1.00 0.59 C ATOM 751 C ASN A 53 -15.561 -0.507 5.747 1.00 0.61 C ATOM 752 O ASN A 53 -15.622 0.082 6.825 1.00 0.66 O ATOM 753 CB ASN A 53 -17.468 -2.097 5.377 1.00 0.68 C ATOM 754 CG ASN A 53 -17.771 -2.123 6.864 1.00 1.02 C ATOM 755 OD1 ASN A 53 -18.850 -1.707 7.297 1.00 1.29 O ATOM 756 ND2 ASN A 53 -16.825 -2.622 7.649 1.00 1.40 N ATOM 0 H ASN A 53 -16.745 -1.760 3.050 1.00 0.52 H new ATOM 0 HA ASN A 53 -17.507 0.036 5.083 1.00 0.59 H new ATOM 0 HB2 ASN A 53 -18.393 -2.248 4.821 1.00 0.68 H new ATOM 0 HB3 ASN A 53 -16.809 -2.930 5.132 1.00 0.68 H new ATOM 0 HD21 ASN A 53 -16.974 -2.674 8.657 1.00 1.40 H new ATOM 0 HD22 ASN A 53 -15.949 -2.954 7.245 1.00 1.40 H new ATOM 763 N GLU A 54 -14.421 -0.909 5.219 1.00 0.61 N ATOM 764 CA GLU A 54 -13.137 -0.698 5.900 1.00 0.66 C ATOM 765 C GLU A 54 -12.603 0.711 5.652 1.00 0.61 C ATOM 766 O GLU A 54 -11.480 1.039 6.037 1.00 0.71 O ATOM 767 CB GLU A 54 -12.110 -1.737 5.442 1.00 0.73 C ATOM 768 CG GLU A 54 -12.690 -3.135 5.342 1.00 1.31 C ATOM 769 CD GLU A 54 -13.208 -3.663 6.665 1.00 2.20 C ATOM 770 OE1 GLU A 54 -12.385 -3.951 7.554 1.00 2.70 O ATOM 771 OE2 GLU A 54 -14.437 -3.806 6.814 1.00 2.84 O ATOM 0 H GLU A 54 -14.347 -1.385 4.320 1.00 0.61 H new ATOM 0 HA GLU A 54 -13.306 -0.814 6.971 1.00 0.66 H new ATOM 0 HB2 GLU A 54 -11.712 -1.444 4.471 1.00 0.73 H new ATOM 0 HB3 GLU A 54 -11.273 -1.745 6.140 1.00 0.73 H new ATOM 0 HG2 GLU A 54 -13.503 -3.133 4.616 1.00 1.31 H new ATOM 0 HG3 GLU A 54 -11.925 -3.812 4.962 1.00 1.31 H new ATOM 778 N VAL A 55 -13.421 1.536 5.011 1.00 0.51 N ATOM 779 CA VAL A 55 -13.066 2.921 4.719 1.00 0.47 C ATOM 780 C VAL A 55 -14.204 3.842 5.156 1.00 0.44 C ATOM 781 O VAL A 55 -13.987 4.908 5.734 1.00 0.51 O ATOM 782 CB VAL A 55 -12.795 3.138 3.206 1.00 0.49 C ATOM 783 CG1 VAL A 55 -12.498 4.596 2.914 1.00 0.82 C ATOM 784 CG2 VAL A 55 -11.660 2.250 2.717 1.00 0.59 C ATOM 0 H VAL A 55 -14.347 1.266 4.679 1.00 0.51 H new ATOM 0 HA VAL A 55 -12.153 3.153 5.267 1.00 0.47 H new ATOM 0 HB VAL A 55 -13.698 2.858 2.664 1.00 0.49 H new ATOM 0 HG11 VAL A 55 -12.311 4.723 1.848 1.00 0.82 H new ATOM 0 HG12 VAL A 55 -13.351 5.207 3.208 1.00 0.82 H new ATOM 0 HG13 VAL A 55 -11.617 4.908 3.476 1.00 0.82 H new ATOM 0 HG21 VAL A 55 -11.494 2.424 1.654 1.00 0.59 H new ATOM 0 HG22 VAL A 55 -10.750 2.485 3.270 1.00 0.59 H new ATOM 0 HG23 VAL A 55 -11.922 1.204 2.876 1.00 0.59 H new ATOM 794 N ASP A 56 -15.416 3.399 4.877 1.00 0.48 N ATOM 795 CA ASP A 56 -16.620 4.141 5.214 1.00 0.47 C ATOM 796 C ASP A 56 -16.840 4.147 6.718 1.00 0.50 C ATOM 797 O ASP A 56 -16.707 3.118 7.381 1.00 0.55 O ATOM 798 CB ASP A 56 -17.822 3.515 4.507 1.00 0.48 C ATOM 799 CG ASP A 56 -19.004 4.454 4.402 1.00 0.47 C ATOM 800 OD1 ASP A 56 -19.837 4.488 5.324 1.00 0.53 O ATOM 801 OD2 ASP A 56 -19.126 5.141 3.364 1.00 0.48 O ATOM 0 H ASP A 56 -15.595 2.511 4.408 1.00 0.48 H new ATOM 0 HA ASP A 56 -16.504 5.173 4.882 1.00 0.47 H new ATOM 0 HB2 ASP A 56 -17.525 3.201 3.506 1.00 0.48 H new ATOM 0 HB3 ASP A 56 -18.126 2.617 5.045 1.00 0.48 H new ATOM 806 N ALA A 57 -17.175 5.305 7.248 1.00 0.55 N ATOM 807 CA ALA A 57 -17.406 5.435 8.670 1.00 0.60 C ATOM 808 C ALA A 57 -18.719 6.156 8.941 1.00 0.62 C ATOM 809 O ALA A 57 -19.235 6.137 10.062 1.00 0.67 O ATOM 810 CB ALA A 57 -16.253 6.178 9.323 1.00 0.68 C ATOM 0 H ALA A 57 -17.293 6.167 6.716 1.00 0.55 H new ATOM 0 HA ALA A 57 -17.470 4.435 9.100 1.00 0.60 H new ATOM 0 HB1 ALA A 57 -16.439 6.269 10.393 1.00 0.68 H new ATOM 0 HB2 ALA A 57 -15.327 5.627 9.161 1.00 0.68 H new ATOM 0 HB3 ALA A 57 -16.165 7.172 8.884 1.00 0.68 H new ATOM 816 N ASP A 58 -19.252 6.798 7.909 1.00 0.60 N ATOM 817 CA ASP A 58 -20.504 7.533 8.027 1.00 0.65 C ATOM 818 C ASP A 58 -21.687 6.574 7.963 1.00 0.66 C ATOM 819 O ASP A 58 -22.770 6.871 8.474 1.00 0.73 O ATOM 820 CB ASP A 58 -20.600 8.618 6.938 1.00 0.66 C ATOM 821 CG ASP A 58 -21.219 8.129 5.637 1.00 0.64 C ATOM 822 OD1 ASP A 58 -22.457 8.169 5.504 1.00 0.74 O ATOM 823 OD2 ASP A 58 -20.468 7.738 4.725 1.00 0.61 O ATOM 0 H ASP A 58 -18.835 6.824 6.979 1.00 0.60 H new ATOM 0 HA ASP A 58 -20.529 8.034 8.995 1.00 0.65 H new ATOM 0 HB2 ASP A 58 -21.190 9.451 7.320 1.00 0.66 H new ATOM 0 HB3 ASP A 58 -19.601 9.003 6.732 1.00 0.66 H new ATOM 828 N GLY A 59 -21.471 5.415 7.353 1.00 0.62 N ATOM 829 CA GLY A 59 -22.521 4.431 7.243 1.00 0.64 C ATOM 830 C GLY A 59 -23.294 4.562 5.952 1.00 0.67 C ATOM 831 O GLY A 59 -24.520 4.444 5.938 1.00 0.90 O ATOM 0 H GLY A 59 -20.583 5.142 6.932 1.00 0.62 H new ATOM 0 HA2 GLY A 59 -22.089 3.432 7.306 1.00 0.64 H new ATOM 0 HA3 GLY A 59 -23.204 4.536 8.086 1.00 0.64 H new ATOM 835 N ASN A 60 -22.584 4.827 4.867 1.00 0.57 N ATOM 836 CA ASN A 60 -23.220 4.972 3.565 1.00 0.58 C ATOM 837 C ASN A 60 -22.673 3.936 2.584 1.00 0.55 C ATOM 838 O ASN A 60 -23.337 3.570 1.615 1.00 0.60 O ATOM 839 CB ASN A 60 -23.037 6.406 3.032 1.00 0.59 C ATOM 840 CG ASN A 60 -22.196 6.497 1.772 1.00 0.55 C ATOM 841 OD1 ASN A 60 -20.984 6.723 1.838 1.00 0.52 O ATOM 842 ND2 ASN A 60 -22.835 6.344 0.620 1.00 0.58 N ATOM 0 H ASN A 60 -21.571 4.946 4.860 1.00 0.57 H new ATOM 0 HA ASN A 60 -24.290 4.793 3.675 1.00 0.58 H new ATOM 0 HB2 ASN A 60 -24.019 6.836 2.832 1.00 0.59 H new ATOM 0 HB3 ASN A 60 -22.575 7.015 3.809 1.00 0.59 H new ATOM 0 HD21 ASN A 60 -22.323 6.412 -0.260 1.00 0.58 H new ATOM 0 HD22 ASN A 60 -23.838 6.158 0.614 1.00 0.58 H new ATOM 849 N GLY A 61 -21.470 3.455 2.857 1.00 0.51 N ATOM 850 CA GLY A 61 -20.854 2.465 2.004 1.00 0.51 C ATOM 851 C GLY A 61 -20.375 3.052 0.692 1.00 0.49 C ATOM 852 O GLY A 61 -20.708 2.550 -0.382 1.00 0.52 O ATOM 0 H GLY A 61 -20.907 3.736 3.660 1.00 0.51 H new ATOM 0 HA2 GLY A 61 -20.011 2.013 2.526 1.00 0.51 H new ATOM 0 HA3 GLY A 61 -21.569 1.667 1.803 1.00 0.51 H new ATOM 856 N THR A 62 -19.590 4.119 0.781 1.00 0.46 N ATOM 857 CA THR A 62 -19.046 4.790 -0.395 1.00 0.45 C ATOM 858 C THR A 62 -17.827 5.639 -0.014 1.00 0.42 C ATOM 859 O THR A 62 -17.917 6.460 0.905 1.00 0.45 O ATOM 860 CB THR A 62 -20.104 5.704 -1.061 1.00 0.50 C ATOM 861 OG1 THR A 62 -21.190 4.923 -1.584 1.00 0.57 O ATOM 862 CG2 THR A 62 -19.492 6.536 -2.176 1.00 0.57 C ATOM 0 H THR A 62 -19.313 4.543 1.667 1.00 0.46 H new ATOM 0 HA THR A 62 -18.750 4.015 -1.102 1.00 0.45 H new ATOM 0 HB THR A 62 -20.483 6.378 -0.293 1.00 0.50 H new ATOM 0 HG1 THR A 62 -21.062 3.982 -1.343 1.00 0.57 H new ATOM 0 HG21 THR A 62 -20.260 7.167 -2.623 1.00 0.57 H new ATOM 0 HG22 THR A 62 -18.699 7.164 -1.769 1.00 0.57 H new ATOM 0 HG23 THR A 62 -19.077 5.875 -2.937 1.00 0.57 H new ATOM 870 N ILE A 63 -16.688 5.429 -0.690 1.00 0.40 N ATOM 871 CA ILE A 63 -15.490 6.221 -0.403 1.00 0.37 C ATOM 872 C ILE A 63 -15.725 7.667 -0.852 1.00 0.40 C ATOM 873 O ILE A 63 -15.693 7.969 -2.045 1.00 0.44 O ATOM 874 CB ILE A 63 -14.197 5.678 -1.091 1.00 0.36 C ATOM 875 CG1 ILE A 63 -14.147 4.140 -1.094 1.00 0.39 C ATOM 876 CG2 ILE A 63 -12.963 6.264 -0.425 1.00 0.43 C ATOM 877 CD1 ILE A 63 -12.948 3.542 -0.397 1.00 0.46 C ATOM 0 H ILE A 63 -16.574 4.731 -1.425 1.00 0.40 H new ATOM 0 HA ILE A 63 -15.324 6.157 0.672 1.00 0.37 H new ATOM 0 HB ILE A 63 -14.217 5.995 -2.134 1.00 0.36 H new ATOM 0 HG12 ILE A 63 -15.052 3.761 -0.619 1.00 0.39 H new ATOM 0 HG13 ILE A 63 -14.159 3.792 -2.127 1.00 0.39 H new ATOM 0 HG21 ILE A 63 -12.068 5.878 -0.913 1.00 0.43 H new ATOM 0 HG22 ILE A 63 -12.984 7.350 -0.512 1.00 0.43 H new ATOM 0 HG23 ILE A 63 -12.951 5.984 0.628 1.00 0.43 H new ATOM 0 HD11 ILE A 63 -13.001 2.455 -0.451 1.00 0.46 H new ATOM 0 HD12 ILE A 63 -12.035 3.886 -0.884 1.00 0.46 H new ATOM 0 HD13 ILE A 63 -12.942 3.853 0.648 1.00 0.46 H new ATOM 889 N ASP A 64 -15.997 8.543 0.108 1.00 0.41 N ATOM 890 CA ASP A 64 -16.242 9.952 -0.188 1.00 0.45 C ATOM 891 C ASP A 64 -15.046 10.792 0.231 1.00 0.45 C ATOM 892 O ASP A 64 -14.083 10.259 0.763 1.00 0.42 O ATOM 893 CB ASP A 64 -17.507 10.463 0.496 1.00 0.49 C ATOM 894 CG ASP A 64 -17.615 10.064 1.954 1.00 0.49 C ATOM 895 OD1 ASP A 64 -16.782 10.495 2.775 1.00 0.49 O ATOM 896 OD2 ASP A 64 -18.565 9.329 2.290 1.00 0.52 O ATOM 0 H ASP A 64 -16.054 8.304 1.098 1.00 0.41 H new ATOM 0 HA ASP A 64 -16.388 10.042 -1.264 1.00 0.45 H new ATOM 0 HB2 ASP A 64 -17.535 11.550 0.423 1.00 0.49 H new ATOM 0 HB3 ASP A 64 -18.377 10.085 -0.040 1.00 0.49 H new ATOM 901 N PHE A 65 -15.115 12.103 -0.005 1.00 0.51 N ATOM 902 CA PHE A 65 -14.014 13.019 0.320 1.00 0.54 C ATOM 903 C PHE A 65 -13.745 13.117 1.832 1.00 0.54 C ATOM 904 O PHE A 65 -12.589 13.020 2.246 1.00 0.54 O ATOM 905 CB PHE A 65 -14.290 14.410 -0.257 1.00 0.61 C ATOM 906 CG PHE A 65 -13.046 15.188 -0.577 1.00 0.74 C ATOM 907 CD1 PHE A 65 -12.455 15.086 -1.826 1.00 0.83 C ATOM 908 CD2 PHE A 65 -12.468 16.016 0.365 1.00 0.97 C ATOM 909 CE1 PHE A 65 -11.312 15.801 -2.129 1.00 1.04 C ATOM 910 CE2 PHE A 65 -11.327 16.734 0.064 1.00 1.15 C ATOM 911 CZ PHE A 65 -10.748 16.625 -1.181 1.00 1.15 C ATOM 0 H PHE A 65 -15.926 12.559 -0.423 1.00 0.51 H new ATOM 0 HA PHE A 65 -13.116 12.604 -0.137 1.00 0.54 H new ATOM 0 HB2 PHE A 65 -14.886 14.306 -1.164 1.00 0.61 H new ATOM 0 HB3 PHE A 65 -14.889 14.977 0.455 1.00 0.61 H new ATOM 0 HD1 PHE A 65 -12.893 14.440 -2.572 1.00 0.83 H new ATOM 0 HD2 PHE A 65 -12.912 16.103 1.346 1.00 0.97 H new ATOM 0 HE1 PHE A 65 -10.862 15.714 -3.107 1.00 1.04 H new ATOM 0 HE2 PHE A 65 -10.888 17.383 0.807 1.00 1.15 H new ATOM 0 HZ PHE A 65 -9.854 17.184 -1.413 1.00 1.15 H new ATOM 921 N PRO A 66 -14.785 13.316 2.684 1.00 0.55 N ATOM 922 CA PRO A 66 -14.591 13.408 4.134 1.00 0.56 C ATOM 923 C PRO A 66 -13.846 12.200 4.695 1.00 0.50 C ATOM 924 O PRO A 66 -12.928 12.351 5.508 1.00 0.52 O ATOM 925 CB PRO A 66 -16.016 13.470 4.694 1.00 0.59 C ATOM 926 CG PRO A 66 -16.873 13.932 3.578 1.00 0.63 C ATOM 927 CD PRO A 66 -16.211 13.481 2.311 1.00 0.58 C ATOM 0 HA PRO A 66 -13.982 14.271 4.406 1.00 0.56 H new ATOM 0 HB2 PRO A 66 -16.337 12.492 5.054 1.00 0.59 H new ATOM 0 HB3 PRO A 66 -16.073 14.155 5.540 1.00 0.59 H new ATOM 0 HG2 PRO A 66 -17.876 13.513 3.661 1.00 0.63 H new ATOM 0 HG3 PRO A 66 -16.979 15.017 3.595 1.00 0.63 H new ATOM 0 HD2 PRO A 66 -16.639 12.546 1.949 1.00 0.58 H new ATOM 0 HD3 PRO A 66 -16.332 14.216 1.515 1.00 0.58 H new ATOM 935 N GLU A 67 -14.247 11.008 4.270 1.00 0.46 N ATOM 936 CA GLU A 67 -13.605 9.778 4.724 1.00 0.43 C ATOM 937 C GLU A 67 -12.268 9.605 4.029 1.00 0.43 C ATOM 938 O GLU A 67 -11.333 9.060 4.598 1.00 0.44 O ATOM 939 CB GLU A 67 -14.486 8.567 4.432 1.00 0.41 C ATOM 940 CG GLU A 67 -15.661 8.419 5.376 1.00 0.43 C ATOM 941 CD GLU A 67 -16.798 7.622 4.764 1.00 0.43 C ATOM 942 OE1 GLU A 67 -16.742 7.303 3.560 1.00 0.39 O ATOM 943 OE2 GLU A 67 -17.777 7.330 5.475 1.00 0.51 O ATOM 0 H GLU A 67 -15.013 10.866 3.612 1.00 0.46 H new ATOM 0 HA GLU A 67 -13.453 9.851 5.801 1.00 0.43 H new ATOM 0 HB2 GLU A 67 -14.860 8.640 3.411 1.00 0.41 H new ATOM 0 HB3 GLU A 67 -13.876 7.665 4.484 1.00 0.41 H new ATOM 0 HG2 GLU A 67 -15.329 7.929 6.291 1.00 0.43 H new ATOM 0 HG3 GLU A 67 -16.024 9.407 5.658 1.00 0.43 H new ATOM 950 N PHE A 68 -12.176 10.122 2.801 1.00 0.44 N ATOM 951 CA PHE A 68 -10.958 10.019 2.012 1.00 0.46 C ATOM 952 C PHE A 68 -9.797 10.688 2.734 1.00 0.48 C ATOM 953 O PHE A 68 -8.690 10.163 2.768 1.00 0.48 O ATOM 954 CB PHE A 68 -11.151 10.670 0.641 1.00 0.50 C ATOM 955 CG PHE A 68 -10.009 10.449 -0.314 1.00 0.73 C ATOM 956 CD1 PHE A 68 -9.796 9.202 -0.885 1.00 0.94 C ATOM 957 CD2 PHE A 68 -9.145 11.485 -0.639 1.00 1.02 C ATOM 958 CE1 PHE A 68 -8.743 8.996 -1.759 1.00 1.29 C ATOM 959 CE2 PHE A 68 -8.094 11.283 -1.514 1.00 1.34 C ATOM 960 CZ PHE A 68 -7.893 10.038 -2.072 1.00 1.44 C ATOM 0 H PHE A 68 -12.937 10.617 2.335 1.00 0.44 H new ATOM 0 HA PHE A 68 -10.731 8.962 1.876 1.00 0.46 H new ATOM 0 HB2 PHE A 68 -12.065 10.281 0.192 1.00 0.50 H new ATOM 0 HB3 PHE A 68 -11.293 11.742 0.777 1.00 0.50 H new ATOM 0 HD1 PHE A 68 -10.459 8.384 -0.645 1.00 0.94 H new ATOM 0 HD2 PHE A 68 -9.296 12.461 -0.203 1.00 1.02 H new ATOM 0 HE1 PHE A 68 -8.586 8.021 -2.196 1.00 1.29 H new ATOM 0 HE2 PHE A 68 -7.431 12.099 -1.760 1.00 1.34 H new ATOM 0 HZ PHE A 68 -7.071 9.878 -2.754 1.00 1.44 H new ATOM 970 N LEU A 69 -10.075 11.837 3.338 1.00 0.52 N ATOM 971 CA LEU A 69 -9.063 12.597 4.057 1.00 0.56 C ATOM 972 C LEU A 69 -8.589 11.864 5.310 1.00 0.51 C ATOM 973 O LEU A 69 -7.391 11.630 5.481 1.00 0.50 O ATOM 974 CB LEU A 69 -9.615 13.969 4.436 1.00 0.66 C ATOM 975 CG LEU A 69 -10.022 14.857 3.251 1.00 0.75 C ATOM 976 CD1 LEU A 69 -10.710 16.114 3.754 1.00 0.89 C ATOM 977 CD2 LEU A 69 -8.803 15.216 2.416 1.00 0.82 C ATOM 0 H LEU A 69 -11.001 12.265 3.343 1.00 0.52 H new ATOM 0 HA LEU A 69 -8.205 12.716 3.396 1.00 0.56 H new ATOM 0 HB2 LEU A 69 -10.483 13.829 5.080 1.00 0.66 H new ATOM 0 HB3 LEU A 69 -8.864 14.496 5.024 1.00 0.66 H new ATOM 0 HG LEU A 69 -10.720 14.305 2.621 1.00 0.75 H new ATOM 0 HD11 LEU A 69 -10.995 16.737 2.906 1.00 0.89 H new ATOM 0 HD12 LEU A 69 -11.601 15.840 4.318 1.00 0.89 H new ATOM 0 HD13 LEU A 69 -10.028 16.669 4.399 1.00 0.89 H new ATOM 0 HD21 LEU A 69 -9.107 15.846 1.580 1.00 0.82 H new ATOM 0 HD22 LEU A 69 -8.085 15.755 3.034 1.00 0.82 H new ATOM 0 HD23 LEU A 69 -8.342 14.305 2.035 1.00 0.82 H new ATOM 989 N THR A 70 -9.530 11.495 6.174 1.00 0.52 N ATOM 990 CA THR A 70 -9.202 10.800 7.414 1.00 0.54 C ATOM 991 C THR A 70 -8.507 9.477 7.122 1.00 0.47 C ATOM 992 O THR A 70 -7.461 9.163 7.693 1.00 0.53 O ATOM 993 CB THR A 70 -10.467 10.530 8.245 1.00 0.62 C ATOM 994 OG1 THR A 70 -11.428 11.563 8.003 1.00 0.63 O ATOM 995 CG2 THR A 70 -10.137 10.467 9.729 1.00 0.74 C ATOM 0 H THR A 70 -10.526 11.666 6.038 1.00 0.52 H new ATOM 0 HA THR A 70 -8.531 11.444 7.983 1.00 0.54 H new ATOM 0 HB THR A 70 -10.881 9.567 7.946 1.00 0.62 H new ATOM 0 HG1 THR A 70 -12.235 11.390 8.532 1.00 0.63 H new ATOM 0 HG21 THR A 70 -11.048 10.275 10.296 1.00 0.74 H new ATOM 0 HG22 THR A 70 -9.421 9.665 9.909 1.00 0.74 H new ATOM 0 HG23 THR A 70 -9.705 11.416 10.046 1.00 0.74 H new ATOM 1003 N MET A 71 -9.093 8.729 6.205 1.00 0.42 N ATOM 1004 CA MET A 71 -8.569 7.434 5.797 1.00 0.43 C ATOM 1005 C MET A 71 -7.166 7.579 5.209 1.00 0.39 C ATOM 1006 O MET A 71 -6.270 6.784 5.498 1.00 0.41 O ATOM 1007 CB MET A 71 -9.518 6.813 4.776 1.00 0.51 C ATOM 1008 CG MET A 71 -9.041 5.494 4.232 1.00 0.71 C ATOM 1009 SD MET A 71 -9.246 5.353 2.445 1.00 0.69 S ATOM 1010 CE MET A 71 -8.294 6.762 1.876 1.00 0.68 C ATOM 0 H MET A 71 -9.948 9.001 5.720 1.00 0.42 H new ATOM 0 HA MET A 71 -8.497 6.783 6.668 1.00 0.43 H new ATOM 0 HB2 MET A 71 -10.495 6.673 5.239 1.00 0.51 H new ATOM 0 HB3 MET A 71 -9.654 7.510 3.949 1.00 0.51 H new ATOM 0 HG2 MET A 71 -7.988 5.363 4.483 1.00 0.71 H new ATOM 0 HG3 MET A 71 -9.588 4.687 4.720 1.00 0.71 H new ATOM 0 HE1 MET A 71 -7.935 6.574 0.864 1.00 0.68 H new ATOM 0 HE2 MET A 71 -8.924 7.652 1.878 1.00 0.68 H new ATOM 0 HE3 MET A 71 -7.443 6.918 2.539 1.00 0.68 H new ATOM 1020 N MET A 72 -6.970 8.626 4.411 1.00 0.38 N ATOM 1021 CA MET A 72 -5.680 8.883 3.782 1.00 0.40 C ATOM 1022 C MET A 72 -4.631 9.221 4.840 1.00 0.42 C ATOM 1023 O MET A 72 -3.606 8.551 4.955 1.00 0.45 O ATOM 1024 CB MET A 72 -5.777 10.040 2.779 1.00 0.43 C ATOM 1025 CG MET A 72 -4.745 9.967 1.653 1.00 0.58 C ATOM 1026 SD MET A 72 -3.043 10.054 2.246 1.00 1.18 S ATOM 1027 CE MET A 72 -3.015 11.671 3.019 1.00 1.69 C ATOM 0 H MET A 72 -7.691 9.311 4.185 1.00 0.38 H new ATOM 0 HA MET A 72 -5.384 7.979 3.250 1.00 0.40 H new ATOM 0 HB2 MET A 72 -6.776 10.049 2.344 1.00 0.43 H new ATOM 0 HB3 MET A 72 -5.653 10.983 3.312 1.00 0.43 H new ATOM 0 HG2 MET A 72 -4.884 9.038 1.101 1.00 0.58 H new ATOM 0 HG3 MET A 72 -4.922 10.783 0.953 1.00 0.58 H new ATOM 0 HE1 MET A 72 -2.030 12.120 2.888 1.00 1.69 H new ATOM 0 HE2 MET A 72 -3.769 12.308 2.557 1.00 1.69 H new ATOM 0 HE3 MET A 72 -3.229 11.569 4.083 1.00 1.69 H new ATOM 1037 N ALA A 73 -4.907 10.251 5.627 1.00 0.45 N ATOM 1038 CA ALA A 73 -3.986 10.694 6.676 1.00 0.53 C ATOM 1039 C ALA A 73 -3.672 9.570 7.651 1.00 0.51 C ATOM 1040 O ALA A 73 -2.588 9.518 8.229 1.00 0.55 O ATOM 1041 CB ALA A 73 -4.567 11.878 7.415 1.00 0.63 C ATOM 0 H ALA A 73 -5.764 10.801 5.562 1.00 0.45 H new ATOM 0 HA ALA A 73 -3.053 10.993 6.198 1.00 0.53 H new ATOM 0 HB1 ALA A 73 -3.873 12.198 8.192 1.00 0.63 H new ATOM 0 HB2 ALA A 73 -4.732 12.698 6.716 1.00 0.63 H new ATOM 0 HB3 ALA A 73 -5.515 11.593 7.870 1.00 0.63 H new ATOM 1047 N ARG A 74 -4.609 8.646 7.800 1.00 0.49 N ATOM 1048 CA ARG A 74 -4.425 7.515 8.689 1.00 0.53 C ATOM 1049 C ARG A 74 -3.501 6.464 8.098 1.00 0.53 C ATOM 1050 O ARG A 74 -3.031 5.594 8.820 1.00 0.81 O ATOM 1051 CB ARG A 74 -5.766 6.875 9.019 1.00 0.59 C ATOM 1052 CG ARG A 74 -6.046 6.812 10.509 1.00 0.77 C ATOM 1053 CD ARG A 74 -5.228 5.717 11.181 1.00 1.02 C ATOM 1054 NE ARG A 74 -5.906 4.419 11.123 1.00 0.96 N ATOM 1055 CZ ARG A 74 -5.381 3.312 10.582 1.00 1.22 C ATOM 1056 NH1 ARG A 74 -4.183 3.339 10.016 1.00 1.45 N ATOM 1057 NH2 ARG A 74 -6.060 2.170 10.584 1.00 1.44 N ATOM 0 H ARG A 74 -5.506 8.660 7.314 1.00 0.49 H new ATOM 0 HA ARG A 74 -3.962 7.900 9.598 1.00 0.53 H new ATOM 0 HB2 ARG A 74 -6.561 7.438 8.530 1.00 0.59 H new ATOM 0 HB3 ARG A 74 -5.791 5.866 8.608 1.00 0.59 H new ATOM 0 HG2 ARG A 74 -5.814 7.774 10.966 1.00 0.77 H new ATOM 0 HG3 ARG A 74 -7.108 6.629 10.674 1.00 0.77 H new ATOM 0 HD2 ARG A 74 -4.255 5.641 10.696 1.00 1.02 H new ATOM 0 HD3 ARG A 74 -5.046 5.986 12.221 1.00 1.02 H new ATOM 0 HE ARG A 74 -6.842 4.354 11.522 1.00 0.96 H new ATOM 0 HH11 ARG A 74 -3.651 4.209 9.989 1.00 1.45 H new ATOM 0 HH12 ARG A 74 -3.793 2.490 9.607 1.00 1.45 H new ATOM 0 HH21 ARG A 74 -6.990 2.131 11.000 1.00 1.44 H new ATOM 0 HH22 ARG A 74 -5.651 1.333 10.169 1.00 1.44 H new ATOM 1071 N LYS A 75 -3.241 6.516 6.800 1.00 0.42 N ATOM 1072 CA LYS A 75 -2.363 5.527 6.186 1.00 0.47 C ATOM 1073 C LYS A 75 -1.060 6.146 5.685 1.00 0.56 C ATOM 1074 O LYS A 75 -0.006 5.508 5.739 1.00 0.78 O ATOM 1075 CB LYS A 75 -3.079 4.784 5.058 1.00 0.52 C ATOM 1076 CG LYS A 75 -2.524 3.393 4.857 1.00 0.72 C ATOM 1077 CD LYS A 75 -2.836 2.488 6.038 1.00 0.79 C ATOM 1078 CE LYS A 75 -4.284 2.030 6.031 1.00 0.86 C ATOM 1079 NZ LYS A 75 -4.528 0.980 4.999 1.00 0.83 N ATOM 0 H LYS A 75 -3.616 7.217 6.161 1.00 0.42 H new ATOM 0 HA LYS A 75 -2.102 4.808 6.962 1.00 0.47 H new ATOM 0 HB2 LYS A 75 -4.144 4.721 5.284 1.00 0.52 H new ATOM 0 HB3 LYS A 75 -2.983 5.351 4.132 1.00 0.52 H new ATOM 0 HG2 LYS A 75 -2.942 2.962 3.948 1.00 0.72 H new ATOM 0 HG3 LYS A 75 -1.445 3.449 4.716 1.00 0.72 H new ATOM 0 HD2 LYS A 75 -2.180 1.618 6.013 1.00 0.79 H new ATOM 0 HD3 LYS A 75 -2.627 3.018 6.967 1.00 0.79 H new ATOM 0 HE2 LYS A 75 -4.547 1.641 7.015 1.00 0.86 H new ATOM 0 HE3 LYS A 75 -4.934 2.884 5.842 1.00 0.86 H new ATOM 0 HZ1 LYS A 75 -5.488 0.597 5.114 1.00 0.83 H new ATOM 0 HZ2 LYS A 75 -4.433 1.396 4.051 1.00 0.83 H new ATOM 0 HZ3 LYS A 75 -3.834 0.214 5.112 1.00 0.83 H new ATOM 1093 N MET A 76 -1.123 7.391 5.207 1.00 0.58 N ATOM 1094 CA MET A 76 0.061 8.075 4.708 1.00 0.72 C ATOM 1095 C MET A 76 1.086 8.232 5.817 1.00 0.71 C ATOM 1096 O MET A 76 2.276 8.032 5.601 1.00 0.80 O ATOM 1097 CB MET A 76 -0.298 9.448 4.132 1.00 0.92 C ATOM 1098 CG MET A 76 0.643 9.902 3.022 1.00 1.20 C ATOM 1099 SD MET A 76 2.189 10.612 3.634 1.00 1.55 S ATOM 1100 CE MET A 76 1.593 12.153 4.325 1.00 1.68 C ATOM 0 H MET A 76 -1.981 7.940 5.157 1.00 0.58 H new ATOM 0 HA MET A 76 0.488 7.468 3.910 1.00 0.72 H new ATOM 0 HB2 MET A 76 -1.316 9.417 3.745 1.00 0.92 H new ATOM 0 HB3 MET A 76 -0.284 10.186 4.934 1.00 0.92 H new ATOM 0 HG2 MET A 76 0.872 9.051 2.380 1.00 1.20 H new ATOM 0 HG3 MET A 76 0.133 10.640 2.403 1.00 1.20 H new ATOM 0 HE1 MET A 76 2.436 12.735 4.697 1.00 1.68 H new ATOM 0 HE2 MET A 76 1.073 12.721 3.554 1.00 1.68 H new ATOM 0 HE3 MET A 76 0.907 11.943 5.146 1.00 1.68 H new ATOM 1110 N LYS A 77 0.619 8.559 7.019 1.00 0.72 N ATOM 1111 CA LYS A 77 1.513 8.741 8.148 1.00 0.86 C ATOM 1112 C LYS A 77 1.307 7.648 9.179 1.00 0.77 C ATOM 1113 O LYS A 77 1.677 7.804 10.344 1.00 0.85 O ATOM 1114 CB LYS A 77 1.298 10.121 8.771 1.00 1.11 C ATOM 1115 CG LYS A 77 1.735 11.257 7.867 1.00 1.32 C ATOM 1116 CD LYS A 77 2.376 12.385 8.652 1.00 1.47 C ATOM 1117 CE LYS A 77 1.443 12.938 9.717 1.00 1.65 C ATOM 1118 NZ LYS A 77 2.192 13.570 10.831 1.00 1.95 N ATOM 0 H LYS A 77 -0.368 8.702 7.231 1.00 0.72 H new ATOM 0 HA LYS A 77 2.541 8.676 7.792 1.00 0.86 H new ATOM 0 HB2 LYS A 77 0.242 10.243 9.013 1.00 1.11 H new ATOM 0 HB3 LYS A 77 1.849 10.179 9.710 1.00 1.11 H new ATOM 0 HG2 LYS A 77 2.442 10.882 7.127 1.00 1.32 H new ATOM 0 HG3 LYS A 77 0.873 11.639 7.320 1.00 1.32 H new ATOM 0 HD2 LYS A 77 3.291 12.025 9.123 1.00 1.47 H new ATOM 0 HD3 LYS A 77 2.662 13.185 7.969 1.00 1.47 H new ATOM 0 HE2 LYS A 77 0.772 13.671 9.268 1.00 1.65 H new ATOM 0 HE3 LYS A 77 0.820 12.133 10.108 1.00 1.65 H new ATOM 0 HZ1 LYS A 77 1.521 13.935 11.537 1.00 1.95 H new ATOM 0 HZ2 LYS A 77 2.813 12.865 11.276 1.00 1.95 H new ATOM 0 HZ3 LYS A 77 2.767 14.354 10.462 1.00 1.95 H new ATOM 1132 N ASP A 78 0.730 6.532 8.740 1.00 0.83 N ATOM 1133 CA ASP A 78 0.480 5.410 9.633 1.00 0.83 C ATOM 1134 C ASP A 78 1.767 4.742 10.065 1.00 0.81 C ATOM 1135 O ASP A 78 2.670 4.506 9.255 1.00 1.06 O ATOM 1136 CB ASP A 78 -0.407 4.351 8.985 1.00 1.15 C ATOM 1137 CG ASP A 78 -0.432 3.069 9.793 1.00 1.18 C ATOM 1138 OD1 ASP A 78 -0.776 3.127 10.994 1.00 1.18 O ATOM 1139 OD2 ASP A 78 -0.080 2.010 9.246 1.00 1.41 O ATOM 0 H ASP A 78 0.429 6.383 7.777 1.00 0.83 H new ATOM 0 HA ASP A 78 -0.028 5.830 10.501 1.00 0.83 H new ATOM 0 HB2 ASP A 78 -1.421 4.738 8.885 1.00 1.15 H new ATOM 0 HB3 ASP A 78 -0.045 4.140 7.979 1.00 1.15 H new ATOM 1144 N THR A 79 1.845 4.454 11.346 1.00 0.72 N ATOM 1145 CA THR A 79 2.991 3.770 11.902 1.00 0.95 C ATOM 1146 C THR A 79 2.553 2.887 13.067 1.00 0.92 C ATOM 1147 O THR A 79 3.347 2.521 13.931 1.00 1.10 O ATOM 1148 CB THR A 79 4.085 4.756 12.341 1.00 1.28 C ATOM 1149 OG1 THR A 79 3.541 6.082 12.439 1.00 1.45 O ATOM 1150 CG2 THR A 79 5.237 4.739 11.341 1.00 1.43 C ATOM 0 H THR A 79 1.121 4.685 12.027 1.00 0.72 H new ATOM 0 HA THR A 79 3.422 3.141 11.123 1.00 0.95 H new ATOM 0 HB THR A 79 4.461 4.453 13.318 1.00 1.28 H new ATOM 0 HG1 THR A 79 4.244 6.704 12.721 1.00 1.45 H new ATOM 0 HG21 THR A 79 6.007 5.441 11.661 1.00 1.43 H new ATOM 0 HG22 THR A 79 5.659 3.736 11.290 1.00 1.43 H new ATOM 0 HG23 THR A 79 4.869 5.028 10.357 1.00 1.43 H new ATOM 1158 N ASP A 80 1.268 2.551 13.069 1.00 0.79 N ATOM 1159 CA ASP A 80 0.671 1.694 14.092 1.00 0.83 C ATOM 1160 C ASP A 80 -0.155 0.626 13.399 1.00 0.80 C ATOM 1161 O ASP A 80 -1.118 0.090 13.948 1.00 1.18 O ATOM 1162 CB ASP A 80 -0.205 2.508 15.053 1.00 1.03 C ATOM 1163 CG ASP A 80 0.611 3.311 16.049 1.00 1.39 C ATOM 1164 OD1 ASP A 80 0.961 2.758 17.111 1.00 1.78 O ATOM 1165 OD2 ASP A 80 0.890 4.498 15.789 1.00 1.69 O ATOM 0 H ASP A 80 0.607 2.866 12.359 1.00 0.79 H new ATOM 0 HA ASP A 80 1.461 1.232 14.684 1.00 0.83 H new ATOM 0 HB2 ASP A 80 -0.837 3.184 14.478 1.00 1.03 H new ATOM 0 HB3 ASP A 80 -0.869 1.833 15.593 1.00 1.03 H new ATOM 1170 N SER A 81 0.270 0.344 12.177 1.00 0.74 N ATOM 1171 CA SER A 81 -0.347 -0.624 11.286 1.00 0.82 C ATOM 1172 C SER A 81 -0.783 -1.921 11.979 1.00 0.75 C ATOM 1173 O SER A 81 0.025 -2.604 12.604 1.00 0.89 O ATOM 1174 CB SER A 81 0.667 -0.947 10.190 1.00 1.10 C ATOM 1175 OG SER A 81 1.568 0.129 10.024 1.00 1.10 O ATOM 0 H SER A 81 1.084 0.800 11.764 1.00 0.74 H new ATOM 0 HA SER A 81 -1.261 -0.180 10.891 1.00 0.82 H new ATOM 0 HB2 SER A 81 1.215 -1.853 10.448 1.00 1.10 H new ATOM 0 HB3 SER A 81 0.148 -1.144 9.252 1.00 1.10 H new ATOM 0 HG SER A 81 1.065 0.955 9.866 1.00 1.10 H new ATOM 1181 N GLU A 82 -2.062 -2.255 11.845 1.00 0.69 N ATOM 1182 CA GLU A 82 -2.603 -3.487 12.420 1.00 0.76 C ATOM 1183 C GLU A 82 -3.215 -4.352 11.308 1.00 0.64 C ATOM 1184 O GLU A 82 -2.968 -5.557 11.229 1.00 0.78 O ATOM 1185 CB GLU A 82 -3.657 -3.185 13.495 1.00 0.90 C ATOM 1186 CG GLU A 82 -4.106 -4.417 14.287 1.00 1.13 C ATOM 1187 CD GLU A 82 -3.095 -4.851 15.324 1.00 1.39 C ATOM 1188 OE1 GLU A 82 -1.951 -5.164 14.949 1.00 1.72 O ATOM 1189 OE2 GLU A 82 -3.450 -4.899 16.523 1.00 1.86 O ATOM 0 H GLU A 82 -2.747 -1.690 11.343 1.00 0.69 H new ATOM 0 HA GLU A 82 -1.786 -4.030 12.896 1.00 0.76 H new ATOM 0 HB2 GLU A 82 -3.254 -2.447 14.188 1.00 0.90 H new ATOM 0 HB3 GLU A 82 -4.528 -2.734 13.020 1.00 0.90 H new ATOM 0 HG2 GLU A 82 -5.054 -4.200 14.780 1.00 1.13 H new ATOM 0 HG3 GLU A 82 -4.287 -5.241 13.596 1.00 1.13 H new ATOM 1196 N GLU A 83 -4.015 -3.726 10.446 1.00 0.53 N ATOM 1197 CA GLU A 83 -4.647 -4.436 9.340 1.00 0.52 C ATOM 1198 C GLU A 83 -4.132 -3.926 8.002 1.00 0.45 C ATOM 1199 O GLU A 83 -4.172 -4.646 7.003 1.00 0.48 O ATOM 1200 CB GLU A 83 -6.176 -4.319 9.410 1.00 0.68 C ATOM 1201 CG GLU A 83 -6.715 -2.907 9.213 1.00 1.37 C ATOM 1202 CD GLU A 83 -8.194 -2.810 9.499 1.00 1.96 C ATOM 1203 OE1 GLU A 83 -8.613 -3.192 10.611 1.00 2.70 O ATOM 1204 OE2 GLU A 83 -8.944 -2.364 8.611 1.00 2.40 O ATOM 0 H GLU A 83 -4.239 -2.732 10.493 1.00 0.53 H new ATOM 0 HA GLU A 83 -4.384 -5.490 9.428 1.00 0.52 H new ATOM 0 HB2 GLU A 83 -6.612 -4.969 8.651 1.00 0.68 H new ATOM 0 HB3 GLU A 83 -6.511 -4.690 10.379 1.00 0.68 H new ATOM 0 HG2 GLU A 83 -6.176 -2.221 9.866 1.00 1.37 H new ATOM 0 HG3 GLU A 83 -6.524 -2.588 8.188 1.00 1.37 H new ATOM 1211 N GLU A 84 -3.658 -2.685 7.996 1.00 0.44 N ATOM 1212 CA GLU A 84 -3.103 -2.071 6.796 1.00 0.46 C ATOM 1213 C GLU A 84 -2.022 -2.947 6.187 1.00 0.41 C ATOM 1214 O GLU A 84 -1.887 -3.018 4.966 1.00 0.46 O ATOM 1215 CB GLU A 84 -2.519 -0.685 7.088 1.00 0.56 C ATOM 1216 CG GLU A 84 -2.234 -0.402 8.549 1.00 0.70 C ATOM 1217 CD GLU A 84 -3.490 -0.173 9.356 1.00 0.73 C ATOM 1218 OE1 GLU A 84 -4.171 0.841 9.127 1.00 1.27 O ATOM 1219 OE2 GLU A 84 -3.813 -1.037 10.194 1.00 1.26 O ATOM 0 H GLU A 84 -3.648 -2.080 8.817 1.00 0.44 H new ATOM 0 HA GLU A 84 -3.925 -1.963 6.089 1.00 0.46 H new ATOM 0 HB2 GLU A 84 -1.593 -0.572 6.525 1.00 0.56 H new ATOM 0 HB3 GLU A 84 -3.212 0.070 6.716 1.00 0.56 H new ATOM 0 HG2 GLU A 84 -1.681 -1.239 8.975 1.00 0.70 H new ATOM 0 HG3 GLU A 84 -1.593 0.476 8.626 1.00 0.70 H new ATOM 1226 N ILE A 85 -1.234 -3.586 7.052 1.00 0.38 N ATOM 1227 CA ILE A 85 -0.185 -4.479 6.617 1.00 0.42 C ATOM 1228 C ILE A 85 -0.758 -5.536 5.681 1.00 0.40 C ATOM 1229 O ILE A 85 -0.246 -5.767 4.588 1.00 0.41 O ATOM 1230 CB ILE A 85 0.464 -5.176 7.833 1.00 0.53 C ATOM 1231 CG1 ILE A 85 0.876 -4.146 8.875 1.00 1.17 C ATOM 1232 CG2 ILE A 85 1.645 -6.008 7.413 1.00 1.38 C ATOM 1233 CD1 ILE A 85 1.259 -4.745 10.208 1.00 1.50 C ATOM 0 H ILE A 85 -1.312 -3.494 8.065 1.00 0.38 H new ATOM 0 HA ILE A 85 0.571 -3.895 6.092 1.00 0.42 H new ATOM 0 HB ILE A 85 -0.274 -5.844 8.277 1.00 0.53 H new ATOM 0 HG12 ILE A 85 1.718 -3.571 8.490 1.00 1.17 H new ATOM 0 HG13 ILE A 85 0.054 -3.446 9.025 1.00 1.17 H new ATOM 0 HG21 ILE A 85 2.082 -6.487 8.289 1.00 1.38 H new ATOM 0 HG22 ILE A 85 1.319 -6.771 6.706 1.00 1.38 H new ATOM 0 HG23 ILE A 85 2.390 -5.369 6.939 1.00 1.38 H new ATOM 0 HD11 ILE A 85 1.540 -3.949 10.897 1.00 1.50 H new ATOM 0 HD12 ILE A 85 0.412 -5.296 10.616 1.00 1.50 H new ATOM 0 HD13 ILE A 85 2.102 -5.423 10.074 1.00 1.50 H new ATOM 1245 N ARG A 86 -1.841 -6.164 6.127 1.00 0.41 N ATOM 1246 CA ARG A 86 -2.510 -7.201 5.359 1.00 0.44 C ATOM 1247 C ARG A 86 -3.112 -6.622 4.091 1.00 0.42 C ATOM 1248 O ARG A 86 -2.974 -7.196 3.017 1.00 0.44 O ATOM 1249 CB ARG A 86 -3.608 -7.849 6.195 1.00 0.50 C ATOM 1250 CG ARG A 86 -4.285 -9.011 5.495 1.00 0.89 C ATOM 1251 CD ARG A 86 -3.591 -10.316 5.791 1.00 1.26 C ATOM 1252 NE ARG A 86 -4.402 -11.170 6.657 1.00 1.63 N ATOM 1253 CZ ARG A 86 -3.902 -12.052 7.514 1.00 2.02 C ATOM 1254 NH1 ARG A 86 -2.591 -12.151 7.676 1.00 2.11 N ATOM 1255 NH2 ARG A 86 -4.713 -12.804 8.243 1.00 2.57 N ATOM 0 H ARG A 86 -2.276 -5.967 7.028 1.00 0.41 H new ATOM 0 HA ARG A 86 -1.771 -7.955 5.087 1.00 0.44 H new ATOM 0 HB2 ARG A 86 -3.181 -8.198 7.135 1.00 0.50 H new ATOM 0 HB3 ARG A 86 -4.357 -7.097 6.445 1.00 0.50 H new ATOM 0 HG2 ARG A 86 -5.326 -9.071 5.812 1.00 0.89 H new ATOM 0 HG3 ARG A 86 -4.289 -8.836 4.419 1.00 0.89 H new ATOM 0 HD2 ARG A 86 -3.381 -10.838 4.857 1.00 1.26 H new ATOM 0 HD3 ARG A 86 -2.631 -10.119 6.268 1.00 1.26 H new ATOM 0 HE ARG A 86 -5.417 -11.083 6.599 1.00 1.63 H new ATOM 0 HH11 ARG A 86 -1.964 -11.549 7.142 1.00 2.11 H new ATOM 0 HH12 ARG A 86 -2.208 -12.829 8.335 1.00 2.11 H new ATOM 0 HH21 ARG A 86 -5.724 -12.706 8.146 1.00 2.57 H new ATOM 0 HH22 ARG A 86 -4.327 -13.481 8.901 1.00 2.57 H new ATOM 1269 N GLU A 87 -3.815 -5.504 4.244 1.00 0.42 N ATOM 1270 CA GLU A 87 -4.458 -4.818 3.131 1.00 0.44 C ATOM 1271 C GLU A 87 -3.518 -4.631 1.956 1.00 0.43 C ATOM 1272 O GLU A 87 -3.740 -5.182 0.871 1.00 0.45 O ATOM 1273 CB GLU A 87 -4.995 -3.473 3.621 1.00 0.48 C ATOM 1274 CG GLU A 87 -5.448 -2.538 2.515 1.00 0.47 C ATOM 1275 CD GLU A 87 -5.148 -1.095 2.854 1.00 0.64 C ATOM 1276 OE1 GLU A 87 -3.961 -0.719 2.872 1.00 1.47 O ATOM 1277 OE2 GLU A 87 -6.091 -0.336 3.139 1.00 0.92 O ATOM 0 H GLU A 87 -3.954 -5.048 5.146 1.00 0.42 H new ATOM 0 HA GLU A 87 -5.282 -5.435 2.772 1.00 0.44 H new ATOM 0 HB2 GLU A 87 -5.834 -3.654 4.293 1.00 0.48 H new ATOM 0 HB3 GLU A 87 -4.220 -2.977 4.205 1.00 0.48 H new ATOM 0 HG2 GLU A 87 -4.949 -2.806 1.583 1.00 0.47 H new ATOM 0 HG3 GLU A 87 -6.519 -2.659 2.350 1.00 0.47 H new ATOM 1284 N ALA A 88 -2.431 -3.881 2.168 1.00 0.41 N ATOM 1285 CA ALA A 88 -1.469 -3.641 1.113 1.00 0.40 C ATOM 1286 C ALA A 88 -0.715 -4.914 0.735 1.00 0.40 C ATOM 1287 O ALA A 88 -0.178 -5.021 -0.368 1.00 0.41 O ATOM 1288 CB ALA A 88 -0.487 -2.540 1.496 1.00 0.41 C ATOM 0 H ALA A 88 -2.206 -3.437 3.058 1.00 0.41 H new ATOM 0 HA ALA A 88 -2.033 -3.311 0.241 1.00 0.40 H new ATOM 0 HB1 ALA A 88 0.221 -2.385 0.682 1.00 0.41 H new ATOM 0 HB2 ALA A 88 -1.032 -1.615 1.683 1.00 0.41 H new ATOM 0 HB3 ALA A 88 0.053 -2.832 2.397 1.00 0.41 H new ATOM 1294 N PHE A 89 -0.697 -5.884 1.640 1.00 0.39 N ATOM 1295 CA PHE A 89 -0.032 -7.153 1.372 1.00 0.41 C ATOM 1296 C PHE A 89 -0.860 -7.966 0.391 1.00 0.43 C ATOM 1297 O PHE A 89 -0.318 -8.612 -0.484 1.00 0.46 O ATOM 1298 CB PHE A 89 0.176 -7.953 2.654 1.00 0.42 C ATOM 1299 CG PHE A 89 1.578 -8.485 2.797 1.00 0.40 C ATOM 1300 CD1 PHE A 89 1.940 -9.691 2.216 1.00 0.63 C ATOM 1301 CD2 PHE A 89 2.531 -7.775 3.511 1.00 0.52 C ATOM 1302 CE1 PHE A 89 3.230 -10.180 2.346 1.00 0.75 C ATOM 1303 CE2 PHE A 89 3.821 -8.256 3.644 1.00 0.64 C ATOM 1304 CZ PHE A 89 4.170 -9.461 3.062 1.00 0.68 C ATOM 0 H PHE A 89 -1.132 -5.818 2.560 1.00 0.39 H new ATOM 0 HA PHE A 89 0.947 -6.939 0.943 1.00 0.41 H new ATOM 0 HB2 PHE A 89 -0.056 -7.321 3.511 1.00 0.42 H new ATOM 0 HB3 PHE A 89 -0.526 -8.786 2.673 1.00 0.42 H new ATOM 0 HD1 PHE A 89 1.209 -10.255 1.656 1.00 0.63 H new ATOM 0 HD2 PHE A 89 2.263 -6.834 3.969 1.00 0.52 H new ATOM 0 HE1 PHE A 89 3.501 -11.120 1.889 1.00 0.75 H new ATOM 0 HE2 PHE A 89 4.554 -7.692 4.201 1.00 0.64 H new ATOM 0 HZ PHE A 89 5.176 -9.840 3.166 1.00 0.68 H new ATOM 1314 N ARG A 90 -2.178 -7.889 0.535 1.00 0.45 N ATOM 1315 CA ARG A 90 -3.088 -8.619 -0.331 1.00 0.49 C ATOM 1316 C ARG A 90 -3.181 -7.938 -1.693 1.00 0.47 C ATOM 1317 O ARG A 90 -3.457 -8.581 -2.700 1.00 0.54 O ATOM 1318 CB ARG A 90 -4.482 -8.713 0.302 1.00 0.57 C ATOM 1319 CG ARG A 90 -5.487 -9.424 -0.588 1.00 1.06 C ATOM 1320 CD ARG A 90 -6.904 -9.252 -0.089 1.00 1.28 C ATOM 1321 NE ARG A 90 -7.881 -9.523 -1.145 1.00 1.54 N ATOM 1322 CZ ARG A 90 -9.176 -9.757 -0.937 1.00 1.91 C ATOM 1323 NH1 ARG A 90 -9.677 -9.735 0.293 1.00 2.17 N ATOM 1324 NH2 ARG A 90 -9.966 -10.010 -1.972 1.00 2.35 N ATOM 0 H ARG A 90 -2.639 -7.324 1.248 1.00 0.45 H new ATOM 0 HA ARG A 90 -2.698 -9.628 -0.463 1.00 0.49 H new ATOM 0 HB2 ARG A 90 -4.409 -9.240 1.253 1.00 0.57 H new ATOM 0 HB3 ARG A 90 -4.845 -7.709 0.521 1.00 0.57 H new ATOM 0 HG2 ARG A 90 -5.410 -9.036 -1.604 1.00 1.06 H new ATOM 0 HG3 ARG A 90 -5.244 -10.486 -0.633 1.00 1.06 H new ATOM 0 HD2 ARG A 90 -7.079 -9.924 0.751 1.00 1.28 H new ATOM 0 HD3 ARG A 90 -7.040 -8.236 0.282 1.00 1.28 H new ATOM 0 HE ARG A 90 -7.547 -9.533 -2.109 1.00 1.54 H new ATOM 0 HH11 ARG A 90 -9.069 -9.538 1.088 1.00 2.17 H new ATOM 0 HH12 ARG A 90 -10.670 -9.915 0.443 1.00 2.17 H new ATOM 0 HH21 ARG A 90 -9.581 -10.024 -2.916 1.00 2.35 H new ATOM 0 HH22 ARG A 90 -10.959 -10.190 -1.824 1.00 2.35 H new ATOM 1338 N VAL A 91 -2.985 -6.629 -1.715 1.00 0.43 N ATOM 1339 CA VAL A 91 -3.040 -5.890 -2.970 1.00 0.43 C ATOM 1340 C VAL A 91 -1.783 -6.165 -3.793 1.00 0.41 C ATOM 1341 O VAL A 91 -1.839 -6.285 -5.017 1.00 0.41 O ATOM 1342 CB VAL A 91 -3.220 -4.372 -2.728 1.00 0.44 C ATOM 1343 CG1 VAL A 91 -3.143 -3.586 -4.023 1.00 0.47 C ATOM 1344 CG2 VAL A 91 -4.543 -4.109 -2.032 1.00 0.46 C ATOM 0 H VAL A 91 -2.789 -6.061 -0.891 1.00 0.43 H new ATOM 0 HA VAL A 91 -3.910 -6.233 -3.529 1.00 0.43 H new ATOM 0 HB VAL A 91 -2.403 -4.037 -2.089 1.00 0.44 H new ATOM 0 HG11 VAL A 91 -3.274 -2.525 -3.813 1.00 0.47 H new ATOM 0 HG12 VAL A 91 -2.171 -3.747 -4.489 1.00 0.47 H new ATOM 0 HG13 VAL A 91 -3.929 -3.921 -4.699 1.00 0.47 H new ATOM 0 HG21 VAL A 91 -4.660 -3.038 -1.866 1.00 0.46 H new ATOM 0 HG22 VAL A 91 -5.360 -4.471 -2.655 1.00 0.46 H new ATOM 0 HG23 VAL A 91 -4.560 -4.628 -1.074 1.00 0.46 H new ATOM 1354 N PHE A 92 -0.657 -6.283 -3.107 1.00 0.42 N ATOM 1355 CA PHE A 92 0.612 -6.559 -3.768 1.00 0.42 C ATOM 1356 C PHE A 92 0.780 -8.059 -4.034 1.00 0.43 C ATOM 1357 O PHE A 92 1.154 -8.458 -5.135 1.00 0.47 O ATOM 1358 CB PHE A 92 1.793 -6.064 -2.930 1.00 0.43 C ATOM 1359 CG PHE A 92 1.923 -4.563 -2.813 1.00 0.36 C ATOM 1360 CD1 PHE A 92 1.516 -3.717 -3.832 1.00 0.42 C ATOM 1361 CD2 PHE A 92 2.473 -4.001 -1.671 1.00 0.39 C ATOM 1362 CE1 PHE A 92 1.653 -2.349 -3.712 1.00 0.42 C ATOM 1363 CE2 PHE A 92 2.614 -2.637 -1.547 1.00 0.43 C ATOM 1364 CZ PHE A 92 2.203 -1.809 -2.567 1.00 0.40 C ATOM 0 H PHE A 92 -0.594 -6.192 -2.093 1.00 0.42 H new ATOM 0 HA PHE A 92 0.600 -6.024 -4.718 1.00 0.42 H new ATOM 0 HB2 PHE A 92 1.706 -6.483 -1.928 1.00 0.43 H new ATOM 0 HB3 PHE A 92 2.713 -6.458 -3.361 1.00 0.43 H new ATOM 0 HD1 PHE A 92 1.086 -4.133 -4.731 1.00 0.42 H new ATOM 0 HD2 PHE A 92 2.796 -4.644 -0.865 1.00 0.39 H new ATOM 0 HE1 PHE A 92 1.330 -1.701 -4.514 1.00 0.42 H new ATOM 0 HE2 PHE A 92 3.046 -2.217 -0.651 1.00 0.43 H new ATOM 0 HZ PHE A 92 2.311 -0.739 -2.472 1.00 0.40 H new ATOM 1374 N ASP A 93 0.526 -8.877 -3.013 1.00 0.44 N ATOM 1375 CA ASP A 93 0.643 -10.330 -3.131 1.00 0.47 C ATOM 1376 C ASP A 93 -0.603 -10.895 -3.800 1.00 0.52 C ATOM 1377 O ASP A 93 -1.693 -10.889 -3.229 1.00 0.80 O ATOM 1378 CB ASP A 93 0.840 -10.963 -1.748 1.00 0.50 C ATOM 1379 CG ASP A 93 1.558 -12.296 -1.802 1.00 0.52 C ATOM 1380 OD1 ASP A 93 2.720 -12.334 -2.262 1.00 0.54 O ATOM 1381 OD2 ASP A 93 0.985 -13.310 -1.374 1.00 0.80 O ATOM 0 H ASP A 93 0.236 -8.555 -2.089 1.00 0.44 H new ATOM 0 HA ASP A 93 1.512 -10.567 -3.744 1.00 0.47 H new ATOM 0 HB2 ASP A 93 1.407 -10.277 -1.118 1.00 0.50 H new ATOM 0 HB3 ASP A 93 -0.133 -11.100 -1.276 1.00 0.50 H new ATOM 1386 N LYS A 94 -0.431 -11.387 -5.011 1.00 0.48 N ATOM 1387 CA LYS A 94 -1.537 -11.926 -5.791 1.00 0.54 C ATOM 1388 C LYS A 94 -1.621 -13.439 -5.683 1.00 0.56 C ATOM 1389 O LYS A 94 -2.711 -14.009 -5.740 1.00 0.65 O ATOM 1390 CB LYS A 94 -1.376 -11.494 -7.251 1.00 0.60 C ATOM 1391 CG LYS A 94 -2.269 -12.230 -8.242 1.00 0.86 C ATOM 1392 CD LYS A 94 -2.372 -11.470 -9.547 1.00 1.06 C ATOM 1393 CE LYS A 94 -3.460 -12.051 -10.444 1.00 1.31 C ATOM 1394 NZ LYS A 94 -3.013 -13.273 -11.151 1.00 1.70 N ATOM 0 H LYS A 94 0.472 -11.426 -5.483 1.00 0.48 H new ATOM 0 HA LYS A 94 -2.470 -11.530 -5.391 1.00 0.54 H new ATOM 0 HB2 LYS A 94 -1.582 -10.426 -7.323 1.00 0.60 H new ATOM 0 HB3 LYS A 94 -0.336 -11.639 -7.545 1.00 0.60 H new ATOM 0 HG2 LYS A 94 -1.868 -13.226 -8.428 1.00 0.86 H new ATOM 0 HG3 LYS A 94 -3.263 -12.361 -7.814 1.00 0.86 H new ATOM 0 HD2 LYS A 94 -2.588 -10.421 -9.343 1.00 1.06 H new ATOM 0 HD3 LYS A 94 -1.414 -11.503 -10.066 1.00 1.06 H new ATOM 0 HE2 LYS A 94 -4.338 -12.283 -9.842 1.00 1.31 H new ATOM 0 HE3 LYS A 94 -3.764 -11.302 -11.175 1.00 1.31 H new ATOM 0 HZ1 LYS A 94 -3.786 -13.631 -11.748 1.00 1.70 H new ATOM 0 HZ2 LYS A 94 -2.191 -13.048 -11.747 1.00 1.70 H new ATOM 0 HZ3 LYS A 94 -2.748 -13.999 -10.455 1.00 1.70 H new ATOM 1408 N ASP A 95 -0.477 -14.094 -5.515 1.00 0.55 N ATOM 1409 CA ASP A 95 -0.453 -15.550 -5.405 1.00 0.59 C ATOM 1410 C ASP A 95 -0.950 -15.991 -4.033 1.00 0.60 C ATOM 1411 O ASP A 95 -1.346 -17.144 -3.846 1.00 0.67 O ATOM 1412 CB ASP A 95 0.951 -16.123 -5.676 1.00 0.59 C ATOM 1413 CG ASP A 95 2.049 -15.453 -4.869 1.00 0.55 C ATOM 1414 OD1 ASP A 95 1.813 -15.053 -3.717 1.00 0.62 O ATOM 1415 OD2 ASP A 95 3.171 -15.291 -5.389 1.00 0.58 O ATOM 0 H ASP A 95 0.437 -13.646 -5.452 1.00 0.55 H new ATOM 0 HA ASP A 95 -1.123 -15.945 -6.169 1.00 0.59 H new ATOM 0 HB2 ASP A 95 0.948 -17.190 -5.453 1.00 0.59 H new ATOM 0 HB3 ASP A 95 1.177 -16.020 -6.737 1.00 0.59 H new ATOM 1420 N GLY A 96 -0.933 -15.070 -3.076 1.00 0.58 N ATOM 1421 CA GLY A 96 -1.385 -15.384 -1.735 1.00 0.61 C ATOM 1422 C GLY A 96 -0.372 -16.206 -0.968 1.00 0.61 C ATOM 1423 O GLY A 96 -0.707 -16.851 0.028 1.00 0.72 O ATOM 0 H GLY A 96 -0.614 -14.110 -3.206 1.00 0.58 H new ATOM 0 HA2 GLY A 96 -1.584 -14.459 -1.194 1.00 0.61 H new ATOM 0 HA3 GLY A 96 -2.327 -15.930 -1.789 1.00 0.61 H new ATOM 1427 N ASN A 97 0.871 -16.163 -1.422 1.00 0.61 N ATOM 1428 CA ASN A 97 1.941 -16.918 -0.799 1.00 0.62 C ATOM 1429 C ASN A 97 2.547 -16.141 0.370 1.00 0.60 C ATOM 1430 O ASN A 97 3.214 -16.719 1.223 1.00 0.66 O ATOM 1431 CB ASN A 97 3.008 -17.290 -1.850 1.00 0.62 C ATOM 1432 CG ASN A 97 4.265 -16.427 -1.791 1.00 0.55 C ATOM 1433 OD1 ASN A 97 4.306 -15.307 -2.319 1.00 0.58 O ATOM 1434 ND2 ASN A 97 5.304 -16.947 -1.167 1.00 0.72 N ATOM 0 H ASN A 97 1.163 -15.608 -2.226 1.00 0.61 H new ATOM 0 HA ASN A 97 1.530 -17.842 -0.393 1.00 0.62 H new ATOM 0 HB2 ASN A 97 3.290 -18.334 -1.713 1.00 0.62 H new ATOM 0 HB3 ASN A 97 2.569 -17.206 -2.844 1.00 0.62 H new ATOM 0 HD21 ASN A 97 6.178 -16.424 -1.108 1.00 0.72 H new ATOM 0 HD22 ASN A 97 5.234 -17.872 -0.744 1.00 0.72 H new ATOM 1441 N GLY A 98 2.317 -14.829 0.409 1.00 0.55 N ATOM 1442 CA GLY A 98 2.838 -14.017 1.501 1.00 0.56 C ATOM 1443 C GLY A 98 4.234 -13.478 1.240 1.00 0.53 C ATOM 1444 O GLY A 98 4.999 -13.231 2.177 1.00 0.58 O ATOM 0 H GLY A 98 1.782 -14.315 -0.291 1.00 0.55 H new ATOM 0 HA2 GLY A 98 2.161 -13.181 1.677 1.00 0.56 H new ATOM 0 HA3 GLY A 98 2.852 -14.614 2.413 1.00 0.56 H new ATOM 1448 N TYR A 99 4.571 -13.305 -0.028 1.00 0.53 N ATOM 1449 CA TYR A 99 5.881 -12.790 -0.412 1.00 0.50 C ATOM 1450 C TYR A 99 5.759 -11.904 -1.655 1.00 0.50 C ATOM 1451 O TYR A 99 5.440 -12.387 -2.754 1.00 0.54 O ATOM 1452 CB TYR A 99 6.855 -13.946 -0.683 1.00 0.52 C ATOM 1453 CG TYR A 99 7.629 -14.429 0.527 1.00 0.70 C ATOM 1454 CD1 TYR A 99 8.778 -13.780 0.932 1.00 0.91 C ATOM 1455 CD2 TYR A 99 7.211 -15.533 1.257 1.00 0.92 C ATOM 1456 CE1 TYR A 99 9.496 -14.218 2.029 1.00 1.17 C ATOM 1457 CE2 TYR A 99 7.921 -15.977 2.355 1.00 1.19 C ATOM 1458 CZ TYR A 99 9.065 -15.314 2.738 1.00 1.26 C ATOM 1459 OH TYR A 99 9.780 -15.750 3.831 1.00 1.57 O ATOM 0 H TYR A 99 3.955 -13.514 -0.813 1.00 0.53 H new ATOM 0 HA TYR A 99 6.271 -12.191 0.411 1.00 0.50 H new ATOM 0 HB2 TYR A 99 6.294 -14.785 -1.095 1.00 0.52 H new ATOM 0 HB3 TYR A 99 7.565 -13.631 -1.448 1.00 0.52 H new ATOM 0 HD1 TYR A 99 9.122 -12.916 0.383 1.00 0.91 H new ATOM 0 HD2 TYR A 99 6.313 -16.055 0.961 1.00 0.92 H new ATOM 0 HE1 TYR A 99 10.395 -13.700 2.329 1.00 1.17 H new ATOM 0 HE2 TYR A 99 7.581 -16.839 2.910 1.00 1.19 H new ATOM 0 HH TYR A 99 9.339 -16.534 4.219 1.00 1.57 H new ATOM 1469 N ILE A 100 6.019 -10.615 -1.476 1.00 0.49 N ATOM 1470 CA ILE A 100 5.931 -9.647 -2.563 1.00 0.52 C ATOM 1471 C ILE A 100 7.268 -9.519 -3.295 1.00 0.61 C ATOM 1472 O ILE A 100 8.321 -9.493 -2.674 1.00 0.64 O ATOM 1473 CB ILE A 100 5.527 -8.255 -2.026 1.00 0.55 C ATOM 1474 CG1 ILE A 100 4.309 -8.363 -1.103 1.00 0.58 C ATOM 1475 CG2 ILE A 100 5.242 -7.304 -3.177 1.00 0.60 C ATOM 1476 CD1 ILE A 100 3.954 -7.059 -0.421 1.00 0.69 C ATOM 0 H ILE A 100 6.295 -10.213 -0.580 1.00 0.49 H new ATOM 0 HA ILE A 100 5.172 -10.009 -3.256 1.00 0.52 H new ATOM 0 HB ILE A 100 6.360 -7.856 -1.446 1.00 0.55 H new ATOM 0 HG12 ILE A 100 3.452 -8.706 -1.683 1.00 0.58 H new ATOM 0 HG13 ILE A 100 4.504 -9.120 -0.344 1.00 0.58 H new ATOM 0 HG21 ILE A 100 4.959 -6.329 -2.781 1.00 0.60 H new ATOM 0 HG22 ILE A 100 6.135 -7.200 -3.793 1.00 0.60 H new ATOM 0 HG23 ILE A 100 4.427 -7.700 -3.783 1.00 0.60 H new ATOM 0 HD11 ILE A 100 3.083 -7.208 0.217 1.00 0.69 H new ATOM 0 HD12 ILE A 100 4.796 -6.725 0.186 1.00 0.69 H new ATOM 0 HD13 ILE A 100 3.728 -6.304 -1.174 1.00 0.69 H new ATOM 1488 N SER A 101 7.219 -9.423 -4.614 1.00 0.84 N ATOM 1489 CA SER A 101 8.426 -9.284 -5.421 1.00 1.02 C ATOM 1490 C SER A 101 8.113 -8.545 -6.716 1.00 0.95 C ATOM 1491 O SER A 101 7.003 -8.043 -6.893 1.00 0.85 O ATOM 1492 CB SER A 101 8.992 -10.671 -5.727 1.00 1.14 C ATOM 1493 OG SER A 101 7.950 -11.580 -6.054 1.00 1.12 O ATOM 0 H SER A 101 6.353 -9.439 -5.153 1.00 0.84 H new ATOM 0 HA SER A 101 9.166 -8.707 -4.866 1.00 1.02 H new ATOM 0 HB2 SER A 101 9.698 -10.606 -6.555 1.00 1.14 H new ATOM 0 HB3 SER A 101 9.546 -11.041 -4.864 1.00 1.14 H new ATOM 0 HG SER A 101 8.333 -12.461 -6.248 1.00 1.12 H new ATOM 1499 N ALA A 102 9.082 -8.509 -7.648 1.00 1.01 N ATOM 1500 CA ALA A 102 8.893 -7.857 -8.941 1.00 0.98 C ATOM 1501 C ALA A 102 7.976 -8.723 -9.821 1.00 0.86 C ATOM 1502 O ALA A 102 7.796 -8.496 -11.016 1.00 1.30 O ATOM 1503 CB ALA A 102 10.239 -7.632 -9.623 1.00 1.09 C ATOM 0 H ALA A 102 10.004 -8.927 -7.522 1.00 1.01 H new ATOM 0 HA ALA A 102 8.424 -6.885 -8.790 1.00 0.98 H new ATOM 0 HB1 ALA A 102 10.082 -7.145 -10.586 1.00 1.09 H new ATOM 0 HB2 ALA A 102 10.864 -6.999 -8.994 1.00 1.09 H new ATOM 0 HB3 ALA A 102 10.733 -8.591 -9.778 1.00 1.09 H new ATOM 1509 N ALA A 103 7.414 -9.717 -9.168 1.00 0.56 N ATOM 1510 CA ALA A 103 6.497 -10.658 -9.779 1.00 0.66 C ATOM 1511 C ALA A 103 5.099 -10.054 -9.825 1.00 0.52 C ATOM 1512 O ALA A 103 4.648 -9.577 -10.867 1.00 0.57 O ATOM 1513 CB ALA A 103 6.506 -11.977 -9.015 1.00 0.93 C ATOM 0 H ALA A 103 7.584 -9.898 -8.179 1.00 0.56 H new ATOM 0 HA ALA A 103 6.816 -10.865 -10.801 1.00 0.66 H new ATOM 0 HB1 ALA A 103 5.813 -12.674 -9.485 1.00 0.93 H new ATOM 0 HB2 ALA A 103 7.511 -12.399 -9.030 1.00 0.93 H new ATOM 0 HB3 ALA A 103 6.201 -11.802 -7.983 1.00 0.93 H new ATOM 1519 N GLU A 104 4.438 -10.065 -8.682 1.00 0.45 N ATOM 1520 CA GLU A 104 3.084 -9.539 -8.569 1.00 0.42 C ATOM 1521 C GLU A 104 3.044 -8.022 -8.431 1.00 0.43 C ATOM 1522 O GLU A 104 2.110 -7.390 -8.909 1.00 0.46 O ATOM 1523 CB GLU A 104 2.384 -10.187 -7.383 1.00 0.51 C ATOM 1524 CG GLU A 104 2.474 -11.698 -7.389 1.00 0.49 C ATOM 1525 CD GLU A 104 2.852 -12.236 -6.037 1.00 0.60 C ATOM 1526 OE1 GLU A 104 4.057 -12.287 -5.716 1.00 0.78 O ATOM 1527 OE2 GLU A 104 1.954 -12.618 -5.273 1.00 0.83 O ATOM 0 H GLU A 104 4.818 -10.435 -7.811 1.00 0.45 H new ATOM 0 HA GLU A 104 2.565 -9.783 -9.496 1.00 0.42 H new ATOM 0 HB2 GLU A 104 2.821 -9.807 -6.460 1.00 0.51 H new ATOM 0 HB3 GLU A 104 1.335 -9.892 -7.383 1.00 0.51 H new ATOM 0 HG2 GLU A 104 1.516 -12.119 -7.694 1.00 0.49 H new ATOM 0 HG3 GLU A 104 3.211 -12.016 -8.127 1.00 0.49 H new ATOM 1534 N LEU A 105 4.054 -7.436 -7.788 1.00 0.43 N ATOM 1535 CA LEU A 105 4.080 -5.986 -7.587 1.00 0.47 C ATOM 1536 C LEU A 105 4.049 -5.257 -8.923 1.00 0.48 C ATOM 1537 O LEU A 105 3.365 -4.242 -9.082 1.00 0.50 O ATOM 1538 CB LEU A 105 5.323 -5.564 -6.802 1.00 0.50 C ATOM 1539 CG LEU A 105 5.300 -4.121 -6.305 1.00 0.55 C ATOM 1540 CD1 LEU A 105 4.978 -4.063 -4.825 1.00 0.61 C ATOM 1541 CD2 LEU A 105 6.615 -3.428 -6.589 1.00 0.63 C ATOM 0 H LEU A 105 4.856 -7.935 -7.402 1.00 0.43 H new ATOM 0 HA LEU A 105 3.194 -5.716 -7.013 1.00 0.47 H new ATOM 0 HB2 LEU A 105 5.439 -6.228 -5.945 1.00 0.50 H new ATOM 0 HB3 LEU A 105 6.200 -5.703 -7.434 1.00 0.50 H new ATOM 0 HG LEU A 105 4.514 -3.595 -6.847 1.00 0.55 H new ATOM 0 HD11 LEU A 105 4.968 -3.024 -4.495 1.00 0.61 H new ATOM 0 HD12 LEU A 105 4.000 -4.510 -4.648 1.00 0.61 H new ATOM 0 HD13 LEU A 105 5.735 -4.613 -4.266 1.00 0.61 H new ATOM 0 HD21 LEU A 105 6.571 -2.402 -6.225 1.00 0.63 H new ATOM 0 HD22 LEU A 105 7.422 -3.958 -6.084 1.00 0.63 H new ATOM 0 HD23 LEU A 105 6.800 -3.424 -7.663 1.00 0.63 H new ATOM 1553 N ARG A 106 4.794 -5.802 -9.873 1.00 0.49 N ATOM 1554 CA ARG A 106 4.880 -5.243 -11.209 1.00 0.52 C ATOM 1555 C ARG A 106 3.495 -5.152 -11.832 1.00 0.53 C ATOM 1556 O ARG A 106 3.143 -4.133 -12.426 1.00 0.59 O ATOM 1557 CB ARG A 106 5.792 -6.104 -12.084 1.00 0.56 C ATOM 1558 CG ARG A 106 6.175 -5.453 -13.406 1.00 0.82 C ATOM 1559 CD ARG A 106 6.467 -6.493 -14.470 1.00 0.84 C ATOM 1560 NE ARG A 106 7.798 -7.075 -14.332 1.00 0.72 N ATOM 1561 CZ ARG A 106 8.164 -8.238 -14.867 1.00 0.86 C ATOM 1562 NH1 ARG A 106 7.324 -8.926 -15.629 1.00 1.18 N ATOM 1563 NH2 ARG A 106 9.387 -8.697 -14.666 1.00 0.90 N ATOM 0 H ARG A 106 5.355 -6.643 -9.737 1.00 0.49 H new ATOM 0 HA ARG A 106 5.301 -4.240 -11.140 1.00 0.52 H new ATOM 0 HB2 ARG A 106 6.700 -6.335 -11.528 1.00 0.56 H new ATOM 0 HB3 ARG A 106 5.294 -7.052 -12.288 1.00 0.56 H new ATOM 0 HG2 ARG A 106 5.366 -4.804 -13.742 1.00 0.82 H new ATOM 0 HG3 ARG A 106 7.052 -4.821 -13.262 1.00 0.82 H new ATOM 0 HD2 ARG A 106 5.720 -7.285 -14.414 1.00 0.84 H new ATOM 0 HD3 ARG A 106 6.374 -6.036 -15.455 1.00 0.84 H new ATOM 0 HE ARG A 106 8.492 -6.558 -13.792 1.00 0.72 H new ATOM 0 HH11 ARG A 106 6.387 -8.565 -15.810 1.00 1.18 H new ATOM 0 HH12 ARG A 106 7.615 -9.816 -16.034 1.00 1.18 H new ATOM 0 HH21 ARG A 106 10.047 -8.161 -14.103 1.00 0.90 H new ATOM 0 HH22 ARG A 106 9.671 -9.588 -15.074 1.00 0.90 H new ATOM 1577 N HIS A 107 2.703 -6.211 -11.660 1.00 0.52 N ATOM 1578 CA HIS A 107 1.357 -6.266 -12.207 1.00 0.54 C ATOM 1579 C HIS A 107 0.491 -5.151 -11.625 1.00 0.54 C ATOM 1580 O HIS A 107 -0.188 -4.441 -12.364 1.00 0.59 O ATOM 1581 CB HIS A 107 0.727 -7.632 -11.917 1.00 0.58 C ATOM 1582 CG HIS A 107 -0.628 -7.819 -12.541 1.00 0.62 C ATOM 1583 ND1 HIS A 107 -0.768 -8.266 -13.832 1.00 0.80 N ATOM 1584 CD2 HIS A 107 -1.860 -7.606 -12.012 1.00 0.60 C ATOM 1585 CE1 HIS A 107 -2.069 -8.319 -14.059 1.00 0.83 C ATOM 1586 NE2 HIS A 107 -2.770 -7.926 -12.987 1.00 0.70 N ATOM 0 H HIS A 107 2.978 -7.045 -11.142 1.00 0.52 H new ATOM 0 HA HIS A 107 1.417 -6.125 -13.286 1.00 0.54 H new ATOM 0 HB2 HIS A 107 1.395 -8.414 -12.279 1.00 0.58 H new ATOM 0 HB3 HIS A 107 0.641 -7.761 -10.838 1.00 0.58 H new ATOM 0 HD2 HIS A 107 -2.081 -7.253 -11.016 1.00 0.60 H new ATOM 0 HE1 HIS A 107 -2.511 -8.639 -14.991 1.00 0.83 H new ATOM 0 HE2 HIS A 107 -3.786 -7.875 -12.911 1.00 0.70 H new ATOM 1594 N VAL A 108 0.529 -4.981 -10.303 1.00 0.49 N ATOM 1595 CA VAL A 108 -0.271 -3.958 -9.642 1.00 0.49 C ATOM 1596 C VAL A 108 0.111 -2.551 -10.104 1.00 0.49 C ATOM 1597 O VAL A 108 -0.757 -1.739 -10.431 1.00 0.52 O ATOM 1598 CB VAL A 108 -0.130 -4.058 -8.106 1.00 0.50 C ATOM 1599 CG1 VAL A 108 -1.208 -3.241 -7.411 1.00 0.53 C ATOM 1600 CG2 VAL A 108 -0.186 -5.513 -7.653 1.00 0.53 C ATOM 0 H VAL A 108 1.105 -5.539 -9.673 1.00 0.49 H new ATOM 0 HA VAL A 108 -1.310 -4.137 -9.920 1.00 0.49 H new ATOM 0 HB VAL A 108 0.841 -3.649 -7.828 1.00 0.50 H new ATOM 0 HG11 VAL A 108 -1.089 -3.326 -6.331 1.00 0.53 H new ATOM 0 HG12 VAL A 108 -1.118 -2.195 -7.705 1.00 0.53 H new ATOM 0 HG13 VAL A 108 -2.190 -3.615 -7.699 1.00 0.53 H new ATOM 0 HG21 VAL A 108 -0.085 -5.561 -6.569 1.00 0.53 H new ATOM 0 HG22 VAL A 108 -1.140 -5.949 -7.948 1.00 0.53 H new ATOM 0 HG23 VAL A 108 0.627 -6.070 -8.118 1.00 0.53 H new ATOM 1610 N MET A 109 1.402 -2.272 -10.151 1.00 0.47 N ATOM 1611 CA MET A 109 1.884 -0.954 -10.576 1.00 0.49 C ATOM 1612 C MET A 109 1.427 -0.630 -12.000 1.00 0.50 C ATOM 1613 O MET A 109 0.986 0.490 -12.284 1.00 0.52 O ATOM 1614 CB MET A 109 3.411 -0.876 -10.478 1.00 0.50 C ATOM 1615 CG MET A 109 3.904 -0.208 -9.201 1.00 0.62 C ATOM 1616 SD MET A 109 3.219 -0.962 -7.708 1.00 0.80 S ATOM 1617 CE MET A 109 3.787 0.187 -6.456 1.00 0.86 C ATOM 0 H MET A 109 2.139 -2.932 -9.903 1.00 0.47 H new ATOM 0 HA MET A 109 1.453 -0.212 -9.903 1.00 0.49 H new ATOM 0 HB2 MET A 109 3.823 -1.884 -10.534 1.00 0.50 H new ATOM 0 HB3 MET A 109 3.795 -0.327 -11.338 1.00 0.50 H new ATOM 0 HG2 MET A 109 4.992 -0.263 -9.164 1.00 0.62 H new ATOM 0 HG3 MET A 109 3.639 0.849 -9.223 1.00 0.62 H new ATOM 0 HE1 MET A 109 3.535 -0.198 -5.468 1.00 0.86 H new ATOM 0 HE2 MET A 109 4.868 0.306 -6.535 1.00 0.86 H new ATOM 0 HE3 MET A 109 3.304 1.153 -6.603 1.00 0.86 H new ATOM 1627 N THR A 110 1.508 -1.622 -12.880 1.00 0.50 N ATOM 1628 CA THR A 110 1.099 -1.447 -14.267 1.00 0.54 C ATOM 1629 C THR A 110 -0.423 -1.349 -14.371 1.00 0.53 C ATOM 1630 O THR A 110 -0.953 -0.727 -15.290 1.00 0.54 O ATOM 1631 CB THR A 110 1.610 -2.599 -15.170 1.00 0.58 C ATOM 1632 OG1 THR A 110 2.939 -2.968 -14.795 1.00 0.59 O ATOM 1633 CG2 THR A 110 1.600 -2.194 -16.636 1.00 0.67 C ATOM 0 H THR A 110 1.853 -2.555 -12.657 1.00 0.50 H new ATOM 0 HA THR A 110 1.547 -0.517 -14.618 1.00 0.54 H new ATOM 0 HB THR A 110 0.939 -3.448 -15.035 1.00 0.58 H new ATOM 0 HG1 THR A 110 2.905 -3.591 -14.039 1.00 0.59 H new ATOM 0 HG21 THR A 110 1.963 -3.022 -17.245 1.00 0.67 H new ATOM 0 HG22 THR A 110 0.583 -1.941 -16.937 1.00 0.67 H new ATOM 0 HG23 THR A 110 2.246 -1.328 -16.779 1.00 0.67 H new ATOM 1641 N ASN A 111 -1.124 -1.950 -13.412 1.00 0.53 N ATOM 1642 CA ASN A 111 -2.580 -1.926 -13.400 1.00 0.56 C ATOM 1643 C ASN A 111 -3.095 -0.598 -12.855 1.00 0.55 C ATOM 1644 O ASN A 111 -4.010 -0.008 -13.425 1.00 0.58 O ATOM 1645 CB ASN A 111 -3.128 -3.083 -12.561 1.00 0.58 C ATOM 1646 CG ASN A 111 -4.326 -3.750 -13.190 1.00 0.65 C ATOM 1647 OD1 ASN A 111 -5.456 -3.302 -13.023 1.00 0.86 O ATOM 1648 ND2 ASN A 111 -4.089 -4.842 -13.898 1.00 0.88 N ATOM 0 H ASN A 111 -0.705 -2.459 -12.634 1.00 0.53 H new ATOM 0 HA ASN A 111 -2.928 -2.039 -14.427 1.00 0.56 H new ATOM 0 HB2 ASN A 111 -2.341 -3.823 -12.415 1.00 0.58 H new ATOM 0 HB3 ASN A 111 -3.403 -2.711 -11.574 1.00 0.58 H new ATOM 0 HD21 ASN A 111 -4.862 -5.347 -14.331 1.00 0.88 H new ATOM 0 HD22 ASN A 111 -3.133 -5.179 -14.011 1.00 0.88 H new ATOM 1655 N LEU A 112 -2.511 -0.137 -11.744 1.00 0.54 N ATOM 1656 CA LEU A 112 -2.908 1.134 -11.139 1.00 0.57 C ATOM 1657 C LEU A 112 -2.652 2.287 -12.107 1.00 0.61 C ATOM 1658 O LEU A 112 -3.486 3.175 -12.278 1.00 0.68 O ATOM 1659 CB LEU A 112 -2.136 1.384 -9.834 1.00 0.59 C ATOM 1660 CG LEU A 112 -2.538 0.525 -8.631 1.00 0.58 C ATOM 1661 CD1 LEU A 112 -1.427 0.525 -7.588 1.00 0.93 C ATOM 1662 CD2 LEU A 112 -3.838 1.031 -8.011 1.00 0.63 C ATOM 0 H LEU A 112 -1.765 -0.625 -11.249 1.00 0.54 H new ATOM 0 HA LEU A 112 -3.973 1.079 -10.915 1.00 0.57 H new ATOM 0 HB2 LEU A 112 -1.075 1.225 -10.028 1.00 0.59 H new ATOM 0 HB3 LEU A 112 -2.256 2.432 -9.561 1.00 0.59 H new ATOM 0 HG LEU A 112 -2.698 -0.495 -8.980 1.00 0.58 H new ATOM 0 HD11 LEU A 112 -1.726 -0.089 -6.738 1.00 0.93 H new ATOM 0 HD12 LEU A 112 -0.516 0.119 -8.027 1.00 0.93 H new ATOM 0 HD13 LEU A 112 -1.244 1.545 -7.251 1.00 0.93 H new ATOM 0 HD21 LEU A 112 -4.103 0.405 -7.159 1.00 0.63 H new ATOM 0 HD22 LEU A 112 -3.706 2.060 -7.678 1.00 0.63 H new ATOM 0 HD23 LEU A 112 -4.635 0.989 -8.753 1.00 0.63 H new ATOM 1674 N GLY A 113 -1.491 2.255 -12.743 1.00 0.67 N ATOM 1675 CA GLY A 113 -1.130 3.297 -13.680 1.00 0.75 C ATOM 1676 C GLY A 113 0.060 4.096 -13.212 1.00 0.77 C ATOM 1677 O GLY A 113 0.144 5.301 -13.465 1.00 0.89 O ATOM 0 H GLY A 113 -0.790 1.523 -12.626 1.00 0.67 H new ATOM 0 HA2 GLY A 113 -0.907 2.851 -14.649 1.00 0.75 H new ATOM 0 HA3 GLY A 113 -1.980 3.964 -13.824 1.00 0.75 H new ATOM 1681 N GLU A 114 0.978 3.426 -12.524 1.00 0.72 N ATOM 1682 CA GLU A 114 2.175 4.070 -12.014 1.00 0.79 C ATOM 1683 C GLU A 114 3.194 4.273 -13.129 1.00 0.79 C ATOM 1684 O GLU A 114 3.175 3.577 -14.142 1.00 0.83 O ATOM 1685 CB GLU A 114 2.788 3.246 -10.874 1.00 0.84 C ATOM 1686 CG GLU A 114 2.601 3.868 -9.492 1.00 0.95 C ATOM 1687 CD GLU A 114 3.331 5.201 -9.329 1.00 1.07 C ATOM 1688 OE1 GLU A 114 3.257 6.045 -10.251 1.00 1.55 O ATOM 1689 OE2 GLU A 114 3.981 5.406 -8.280 1.00 1.61 O ATOM 0 H GLU A 114 0.912 2.431 -12.308 1.00 0.72 H new ATOM 0 HA GLU A 114 1.894 5.047 -11.622 1.00 0.79 H new ATOM 0 HB2 GLU A 114 2.342 2.251 -10.877 1.00 0.84 H new ATOM 0 HB3 GLU A 114 3.854 3.118 -11.063 1.00 0.84 H new ATOM 0 HG2 GLU A 114 1.537 4.019 -9.309 1.00 0.95 H new ATOM 0 HG3 GLU A 114 2.959 3.170 -8.735 1.00 0.95 H new ATOM 1696 N LYS A 115 4.092 5.219 -12.926 1.00 0.77 N ATOM 1697 CA LYS A 115 5.115 5.528 -13.919 1.00 0.80 C ATOM 1698 C LYS A 115 6.373 4.698 -13.683 1.00 0.82 C ATOM 1699 O LYS A 115 7.476 5.116 -14.040 1.00 1.18 O ATOM 1700 CB LYS A 115 5.479 7.011 -13.858 1.00 0.84 C ATOM 1701 CG LYS A 115 4.322 7.927 -13.468 1.00 0.91 C ATOM 1702 CD LYS A 115 4.453 8.410 -12.035 1.00 1.07 C ATOM 1703 CE LYS A 115 3.205 9.152 -11.577 1.00 1.17 C ATOM 1704 NZ LYS A 115 2.080 8.225 -11.302 1.00 1.02 N ATOM 0 H LYS A 115 4.137 5.790 -12.082 1.00 0.77 H new ATOM 0 HA LYS A 115 4.709 5.287 -14.902 1.00 0.80 H new ATOM 0 HB2 LYS A 115 6.290 7.145 -13.142 1.00 0.84 H new ATOM 0 HB3 LYS A 115 5.859 7.320 -14.832 1.00 0.84 H new ATOM 0 HG2 LYS A 115 4.293 8.784 -14.141 1.00 0.91 H new ATOM 0 HG3 LYS A 115 3.379 7.395 -13.589 1.00 0.91 H new ATOM 0 HD2 LYS A 115 4.632 7.559 -11.378 1.00 1.07 H new ATOM 0 HD3 LYS A 115 5.319 9.066 -11.949 1.00 1.07 H new ATOM 0 HE2 LYS A 115 3.432 9.724 -10.677 1.00 1.17 H new ATOM 0 HE3 LYS A 115 2.907 9.868 -12.343 1.00 1.17 H new ATOM 0 HZ1 LYS A 115 1.277 8.759 -10.913 1.00 1.02 H new ATOM 0 HZ2 LYS A 115 1.790 7.759 -12.186 1.00 1.02 H new ATOM 0 HZ3 LYS A 115 2.383 7.506 -10.615 1.00 1.02 H new ATOM 1718 N LEU A 116 6.208 3.523 -13.105 1.00 0.64 N ATOM 1719 CA LEU A 116 7.344 2.664 -12.800 1.00 0.65 C ATOM 1720 C LEU A 116 7.395 1.440 -13.698 1.00 0.65 C ATOM 1721 O LEU A 116 6.444 0.663 -13.765 1.00 0.68 O ATOM 1722 CB LEU A 116 7.297 2.223 -11.332 1.00 0.70 C ATOM 1723 CG LEU A 116 7.932 3.193 -10.335 1.00 0.93 C ATOM 1724 CD1 LEU A 116 7.007 4.361 -10.047 1.00 1.27 C ATOM 1725 CD2 LEU A 116 8.289 2.470 -9.050 1.00 0.93 C ATOM 0 H LEU A 116 5.302 3.139 -12.837 1.00 0.64 H new ATOM 0 HA LEU A 116 8.246 3.249 -12.982 1.00 0.65 H new ATOM 0 HB2 LEU A 116 6.256 2.069 -11.050 1.00 0.70 H new ATOM 0 HB3 LEU A 116 7.797 1.259 -11.244 1.00 0.70 H new ATOM 0 HG LEU A 116 8.845 3.588 -10.780 1.00 0.93 H new ATOM 0 HD11 LEU A 116 7.483 5.035 -9.335 1.00 1.27 H new ATOM 0 HD12 LEU A 116 6.800 4.898 -10.973 1.00 1.27 H new ATOM 0 HD13 LEU A 116 6.073 3.990 -9.626 1.00 1.27 H new ATOM 0 HD21 LEU A 116 8.740 3.173 -8.350 1.00 0.93 H new ATOM 0 HD22 LEU A 116 7.387 2.046 -8.608 1.00 0.93 H new ATOM 0 HD23 LEU A 116 8.997 1.670 -9.267 1.00 0.93 H new ATOM 1737 N THR A 117 8.513 1.284 -14.393 1.00 0.70 N ATOM 1738 CA THR A 117 8.720 0.136 -15.258 1.00 0.73 C ATOM 1739 C THR A 117 9.258 -1.040 -14.437 1.00 0.71 C ATOM 1740 O THR A 117 9.325 -0.959 -13.209 1.00 0.69 O ATOM 1741 CB THR A 117 9.697 0.468 -16.403 1.00 0.81 C ATOM 1742 OG1 THR A 117 10.554 1.557 -16.020 1.00 0.93 O ATOM 1743 CG2 THR A 117 8.949 0.833 -17.678 1.00 1.04 C ATOM 0 H THR A 117 9.292 1.942 -14.373 1.00 0.70 H new ATOM 0 HA THR A 117 7.761 -0.135 -15.700 1.00 0.73 H new ATOM 0 HB THR A 117 10.298 -0.420 -16.598 1.00 0.81 H new ATOM 0 HG1 THR A 117 11.172 1.760 -16.753 1.00 0.93 H new ATOM 0 HG21 THR A 117 9.665 1.062 -18.467 1.00 1.04 H new ATOM 0 HG22 THR A 117 8.325 -0.006 -17.986 1.00 1.04 H new ATOM 0 HG23 THR A 117 8.321 1.704 -17.494 1.00 1.04 H new ATOM 1751 N ASP A 118 9.658 -2.121 -15.104 1.00 0.73 N ATOM 1752 CA ASP A 118 10.177 -3.295 -14.407 1.00 0.74 C ATOM 1753 C ASP A 118 11.431 -2.965 -13.588 1.00 0.73 C ATOM 1754 O ASP A 118 11.528 -3.349 -12.424 1.00 0.74 O ATOM 1755 CB ASP A 118 10.478 -4.419 -15.395 1.00 0.79 C ATOM 1756 CG ASP A 118 11.186 -5.591 -14.727 1.00 0.97 C ATOM 1757 OD1 ASP A 118 10.555 -6.297 -13.913 1.00 1.20 O ATOM 1758 OD2 ASP A 118 12.388 -5.804 -15.020 1.00 1.38 O ATOM 0 H ASP A 118 9.633 -2.208 -16.120 1.00 0.73 H new ATOM 0 HA ASP A 118 9.403 -3.626 -13.714 1.00 0.74 H new ATOM 0 HB2 ASP A 118 9.547 -4.766 -15.844 1.00 0.79 H new ATOM 0 HB3 ASP A 118 11.098 -4.034 -16.204 1.00 0.79 H new ATOM 1763 N GLU A 119 12.361 -2.223 -14.185 1.00 0.72 N ATOM 1764 CA GLU A 119 13.609 -1.853 -13.509 1.00 0.73 C ATOM 1765 C GLU A 119 13.323 -0.981 -12.289 1.00 0.70 C ATOM 1766 O GLU A 119 14.008 -1.074 -11.274 1.00 0.71 O ATOM 1767 CB GLU A 119 14.527 -1.109 -14.480 1.00 0.78 C ATOM 1768 CG GLU A 119 16.001 -1.244 -14.154 1.00 1.15 C ATOM 1769 CD GLU A 119 16.436 -2.688 -14.029 1.00 1.69 C ATOM 1770 OE1 GLU A 119 16.177 -3.482 -14.960 1.00 2.18 O ATOM 1771 OE2 GLU A 119 17.036 -3.039 -12.994 1.00 2.33 O ATOM 0 H GLU A 119 12.277 -1.864 -15.136 1.00 0.72 H new ATOM 0 HA GLU A 119 14.104 -2.764 -13.173 1.00 0.73 H new ATOM 0 HB2 GLU A 119 14.352 -1.482 -15.489 1.00 0.78 H new ATOM 0 HB3 GLU A 119 14.260 -0.052 -14.480 1.00 0.78 H new ATOM 0 HG2 GLU A 119 16.588 -0.757 -14.932 1.00 1.15 H new ATOM 0 HG3 GLU A 119 16.213 -0.722 -13.221 1.00 1.15 H new ATOM 1778 N GLU A 120 12.293 -0.170 -12.401 1.00 0.70 N ATOM 1779 CA GLU A 120 11.911 0.731 -11.312 1.00 0.69 C ATOM 1780 C GLU A 120 11.249 -0.083 -10.203 1.00 0.67 C ATOM 1781 O GLU A 120 11.367 0.230 -9.018 1.00 0.68 O ATOM 1782 CB GLU A 120 10.978 1.831 -11.814 1.00 0.72 C ATOM 1783 CG GLU A 120 11.505 2.551 -13.045 1.00 0.85 C ATOM 1784 CD GLU A 120 12.474 3.673 -12.724 1.00 1.09 C ATOM 1785 OE1 GLU A 120 13.265 3.540 -11.768 1.00 1.33 O ATOM 1786 OE2 GLU A 120 12.466 4.688 -13.449 1.00 1.86 O ATOM 0 H GLU A 120 11.701 -0.109 -13.229 1.00 0.70 H new ATOM 0 HA GLU A 120 12.803 1.218 -10.918 1.00 0.69 H new ATOM 0 HB2 GLU A 120 10.006 1.396 -12.045 1.00 0.72 H new ATOM 0 HB3 GLU A 120 10.821 2.557 -11.016 1.00 0.72 H new ATOM 0 HG2 GLU A 120 12.001 1.829 -13.694 1.00 0.85 H new ATOM 0 HG3 GLU A 120 10.664 2.958 -13.606 1.00 0.85 H new ATOM 1793 N VAL A 121 10.541 -1.131 -10.610 1.00 0.66 N ATOM 1794 CA VAL A 121 9.875 -2.017 -9.672 1.00 0.66 C ATOM 1795 C VAL A 121 10.921 -2.743 -8.833 1.00 0.64 C ATOM 1796 O VAL A 121 10.788 -2.835 -7.617 1.00 0.63 O ATOM 1797 CB VAL A 121 8.974 -3.040 -10.404 1.00 0.70 C ATOM 1798 CG1 VAL A 121 8.729 -4.292 -9.564 1.00 0.71 C ATOM 1799 CG2 VAL A 121 7.654 -2.400 -10.788 1.00 0.76 C ATOM 0 H VAL A 121 10.415 -1.386 -11.590 1.00 0.66 H new ATOM 0 HA VAL A 121 9.235 -1.417 -9.025 1.00 0.66 H new ATOM 0 HB VAL A 121 9.500 -3.349 -11.307 1.00 0.70 H new ATOM 0 HG11 VAL A 121 8.092 -4.982 -10.117 1.00 0.71 H new ATOM 0 HG12 VAL A 121 9.681 -4.774 -9.344 1.00 0.71 H new ATOM 0 HG13 VAL A 121 8.239 -4.014 -8.631 1.00 0.71 H new ATOM 0 HG21 VAL A 121 7.031 -3.132 -11.302 1.00 0.76 H new ATOM 0 HG22 VAL A 121 7.142 -2.055 -9.890 1.00 0.76 H new ATOM 0 HG23 VAL A 121 7.839 -1.553 -11.449 1.00 0.76 H new ATOM 1809 N ASP A 122 11.972 -3.241 -9.490 1.00 0.65 N ATOM 1810 CA ASP A 122 13.045 -3.952 -8.790 1.00 0.66 C ATOM 1811 C ASP A 122 13.785 -3.004 -7.861 1.00 0.65 C ATOM 1812 O ASP A 122 14.032 -3.325 -6.696 1.00 0.66 O ATOM 1813 CB ASP A 122 14.037 -4.570 -9.781 1.00 0.71 C ATOM 1814 CG ASP A 122 15.078 -5.430 -9.083 1.00 0.81 C ATOM 1815 OD1 ASP A 122 16.126 -4.879 -8.681 1.00 0.96 O ATOM 1816 OD2 ASP A 122 14.857 -6.654 -8.930 1.00 0.89 O ATOM 0 H ASP A 122 12.103 -3.166 -10.499 1.00 0.65 H new ATOM 0 HA ASP A 122 12.589 -4.753 -8.208 1.00 0.66 H new ATOM 0 HB2 ASP A 122 13.494 -5.175 -10.507 1.00 0.71 H new ATOM 0 HB3 ASP A 122 14.536 -3.776 -10.337 1.00 0.71 H new ATOM 1821 N GLU A 123 14.130 -1.835 -8.390 1.00 0.66 N ATOM 1822 CA GLU A 123 14.834 -0.818 -7.623 1.00 0.68 C ATOM 1823 C GLU A 123 14.034 -0.438 -6.378 1.00 0.66 C ATOM 1824 O GLU A 123 14.602 -0.275 -5.299 1.00 0.66 O ATOM 1825 CB GLU A 123 15.096 0.415 -8.497 1.00 0.75 C ATOM 1826 CG GLU A 123 16.295 1.245 -8.071 1.00 0.86 C ATOM 1827 CD GLU A 123 17.603 0.474 -8.119 1.00 0.91 C ATOM 1828 OE1 GLU A 123 17.802 -0.315 -9.068 1.00 1.13 O ATOM 1829 OE2 GLU A 123 18.446 0.665 -7.221 1.00 1.20 O ATOM 0 H GLU A 123 13.931 -1.569 -9.354 1.00 0.66 H new ATOM 0 HA GLU A 123 15.793 -1.223 -7.300 1.00 0.68 H new ATOM 0 HB2 GLU A 123 15.242 0.090 -9.527 1.00 0.75 H new ATOM 0 HB3 GLU A 123 14.209 1.048 -8.485 1.00 0.75 H new ATOM 0 HG2 GLU A 123 16.372 2.119 -8.717 1.00 0.86 H new ATOM 0 HG3 GLU A 123 16.134 1.611 -7.057 1.00 0.86 H new ATOM 1836 N MET A 124 12.712 -0.326 -6.532 1.00 0.67 N ATOM 1837 CA MET A 124 11.838 0.023 -5.418 1.00 0.69 C ATOM 1838 C MET A 124 11.756 -1.118 -4.414 1.00 0.69 C ATOM 1839 O MET A 124 11.879 -0.885 -3.224 1.00 0.76 O ATOM 1840 CB MET A 124 10.431 0.376 -5.914 1.00 0.72 C ATOM 1841 CG MET A 124 9.468 0.723 -4.785 1.00 0.64 C ATOM 1842 SD MET A 124 7.789 1.060 -5.360 1.00 0.61 S ATOM 1843 CE MET A 124 6.848 0.268 -4.059 1.00 0.68 C ATOM 0 H MET A 124 12.228 -0.472 -7.418 1.00 0.67 H new ATOM 0 HA MET A 124 12.266 0.896 -4.926 1.00 0.69 H new ATOM 0 HB2 MET A 124 10.496 1.220 -6.601 1.00 0.72 H new ATOM 0 HB3 MET A 124 10.030 -0.465 -6.480 1.00 0.72 H new ATOM 0 HG2 MET A 124 9.442 -0.101 -4.072 1.00 0.64 H new ATOM 0 HG3 MET A 124 9.844 1.595 -4.251 1.00 0.64 H new ATOM 0 HE1 MET A 124 5.785 0.320 -4.295 1.00 0.68 H new ATOM 0 HE2 MET A 124 7.150 -0.776 -3.975 1.00 0.68 H new ATOM 0 HE3 MET A 124 7.035 0.777 -3.113 1.00 0.68 H new ATOM 1853 N ILE A 125 11.598 -2.345 -4.905 1.00 0.65 N ATOM 1854 CA ILE A 125 11.480 -3.529 -4.041 1.00 0.68 C ATOM 1855 C ILE A 125 12.635 -3.601 -3.023 1.00 0.66 C ATOM 1856 O ILE A 125 12.475 -4.121 -1.918 1.00 0.64 O ATOM 1857 CB ILE A 125 11.436 -4.843 -4.882 1.00 0.71 C ATOM 1858 CG1 ILE A 125 10.031 -5.079 -5.461 1.00 0.71 C ATOM 1859 CG2 ILE A 125 11.883 -6.059 -4.069 1.00 0.90 C ATOM 1860 CD1 ILE A 125 8.943 -5.251 -4.412 1.00 0.92 C ATOM 0 H ILE A 125 11.548 -2.551 -5.903 1.00 0.65 H new ATOM 0 HA ILE A 125 10.541 -3.431 -3.495 1.00 0.68 H new ATOM 0 HB ILE A 125 12.139 -4.717 -5.705 1.00 0.71 H new ATOM 0 HG12 ILE A 125 9.770 -4.239 -6.104 1.00 0.71 H new ATOM 0 HG13 ILE A 125 10.055 -5.968 -6.092 1.00 0.71 H new ATOM 0 HG21 ILE A 125 11.837 -6.951 -4.693 1.00 0.90 H new ATOM 0 HG22 ILE A 125 12.906 -5.910 -3.724 1.00 0.90 H new ATOM 0 HG23 ILE A 125 11.225 -6.184 -3.209 1.00 0.90 H new ATOM 0 HD11 ILE A 125 7.984 -5.413 -4.905 1.00 0.92 H new ATOM 0 HD12 ILE A 125 9.177 -6.110 -3.783 1.00 0.92 H new ATOM 0 HD13 ILE A 125 8.887 -4.354 -3.795 1.00 0.92 H new ATOM 1872 N ARG A 126 13.787 -3.048 -3.389 1.00 0.73 N ATOM 1873 CA ARG A 126 14.959 -3.067 -2.516 1.00 0.77 C ATOM 1874 C ARG A 126 14.889 -2.001 -1.418 1.00 0.77 C ATOM 1875 O ARG A 126 15.913 -1.658 -0.814 1.00 0.87 O ATOM 1876 CB ARG A 126 16.239 -2.898 -3.340 1.00 0.81 C ATOM 1877 CG ARG A 126 17.034 -4.189 -3.478 1.00 0.93 C ATOM 1878 CD ARG A 126 18.169 -4.049 -4.470 1.00 0.94 C ATOM 1879 NE ARG A 126 17.685 -3.854 -5.841 1.00 0.90 N ATOM 1880 CZ ARG A 126 17.972 -2.794 -6.596 1.00 0.83 C ATOM 1881 NH1 ARG A 126 18.727 -1.809 -6.121 1.00 0.81 N ATOM 1882 NH2 ARG A 126 17.507 -2.728 -7.837 1.00 0.89 N ATOM 0 H ARG A 126 13.936 -2.581 -4.284 1.00 0.73 H new ATOM 0 HA ARG A 126 14.973 -4.038 -2.020 1.00 0.77 H new ATOM 0 HB2 ARG A 126 15.979 -2.530 -4.333 1.00 0.81 H new ATOM 0 HB3 ARG A 126 16.867 -2.139 -2.873 1.00 0.81 H new ATOM 0 HG2 ARG A 126 17.435 -4.474 -2.505 1.00 0.93 H new ATOM 0 HG3 ARG A 126 16.370 -4.992 -3.797 1.00 0.93 H new ATOM 0 HD2 ARG A 126 18.797 -3.205 -4.185 1.00 0.94 H new ATOM 0 HD3 ARG A 126 18.796 -4.940 -4.431 1.00 0.94 H new ATOM 0 HE ARG A 126 17.089 -4.578 -6.243 1.00 0.90 H new ATOM 0 HH11 ARG A 126 19.093 -1.860 -5.170 1.00 0.81 H new ATOM 0 HH12 ARG A 126 18.941 -1.002 -6.707 1.00 0.81 H new ATOM 0 HH21 ARG A 126 16.934 -3.486 -8.208 1.00 0.89 H new ATOM 0 HH22 ARG A 126 17.723 -1.920 -8.420 1.00 0.89 H new ATOM 1896 N GLU A 127 13.698 -1.470 -1.158 1.00 0.76 N ATOM 1897 CA GLU A 127 13.537 -0.476 -0.112 1.00 0.77 C ATOM 1898 C GLU A 127 13.221 -1.173 1.209 1.00 0.74 C ATOM 1899 O GLU A 127 13.732 -0.791 2.262 1.00 0.75 O ATOM 1900 CB GLU A 127 12.451 0.554 -0.487 1.00 0.88 C ATOM 1901 CG GLU A 127 11.056 0.252 0.054 1.00 0.97 C ATOM 1902 CD GLU A 127 10.240 -0.617 -0.875 1.00 1.39 C ATOM 1903 OE1 GLU A 127 10.478 -1.845 -0.903 1.00 2.04 O ATOM 1904 OE2 GLU A 127 9.372 -0.070 -1.581 1.00 1.87 O ATOM 0 H GLU A 127 12.840 -1.711 -1.654 1.00 0.76 H new ATOM 0 HA GLU A 127 14.470 0.076 0.002 1.00 0.77 H new ATOM 0 HB2 GLU A 127 12.760 1.534 -0.123 1.00 0.88 H new ATOM 0 HB3 GLU A 127 12.396 0.621 -1.574 1.00 0.88 H new ATOM 0 HG2 GLU A 127 11.146 -0.243 1.021 1.00 0.97 H new ATOM 0 HG3 GLU A 127 10.527 1.190 0.224 1.00 0.97 H new ATOM 1911 N ALA A 128 12.386 -2.205 1.137 1.00 0.78 N ATOM 1912 CA ALA A 128 12.000 -2.973 2.318 1.00 0.82 C ATOM 1913 C ALA A 128 12.755 -4.284 2.391 1.00 0.74 C ATOM 1914 O ALA A 128 12.889 -4.871 3.464 1.00 0.76 O ATOM 1915 CB ALA A 128 10.507 -3.246 2.324 1.00 0.96 C ATOM 0 H ALA A 128 11.961 -2.531 0.269 1.00 0.78 H new ATOM 0 HA ALA A 128 12.255 -2.373 3.191 1.00 0.82 H new ATOM 0 HB1 ALA A 128 10.246 -3.819 3.213 1.00 0.96 H new ATOM 0 HB2 ALA A 128 9.964 -2.301 2.329 1.00 0.96 H new ATOM 0 HB3 ALA A 128 10.237 -3.814 1.434 1.00 0.96 H new ATOM 1921 N ASP A 129 13.239 -4.744 1.246 1.00 0.71 N ATOM 1922 CA ASP A 129 13.989 -5.993 1.177 1.00 0.68 C ATOM 1923 C ASP A 129 15.340 -5.824 1.859 1.00 0.71 C ATOM 1924 O ASP A 129 16.255 -5.210 1.308 1.00 0.78 O ATOM 1925 CB ASP A 129 14.177 -6.431 -0.277 1.00 0.69 C ATOM 1926 CG ASP A 129 14.451 -7.912 -0.400 1.00 0.71 C ATOM 1927 OD1 ASP A 129 13.557 -8.713 -0.054 1.00 0.87 O ATOM 1928 OD2 ASP A 129 15.554 -8.287 -0.846 1.00 0.76 O ATOM 0 H ASP A 129 13.126 -4.271 0.349 1.00 0.71 H new ATOM 0 HA ASP A 129 13.425 -6.768 1.695 1.00 0.68 H new ATOM 0 HB2 ASP A 129 13.283 -6.181 -0.848 1.00 0.69 H new ATOM 0 HB3 ASP A 129 15.003 -5.873 -0.718 1.00 0.69 H new ATOM 1933 N ILE A 130 15.450 -6.354 3.066 1.00 0.74 N ATOM 1934 CA ILE A 130 16.675 -6.242 3.845 1.00 0.81 C ATOM 1935 C ILE A 130 17.535 -7.496 3.705 1.00 0.84 C ATOM 1936 O ILE A 130 18.762 -7.431 3.785 1.00 0.92 O ATOM 1937 CB ILE A 130 16.360 -5.977 5.339 1.00 0.88 C ATOM 1938 CG1 ILE A 130 15.374 -4.811 5.492 1.00 0.86 C ATOM 1939 CG2 ILE A 130 17.639 -5.691 6.120 1.00 1.01 C ATOM 1940 CD1 ILE A 130 15.942 -3.470 5.072 1.00 0.88 C ATOM 0 H ILE A 130 14.702 -6.869 3.531 1.00 0.74 H new ATOM 0 HA ILE A 130 17.236 -5.394 3.452 1.00 0.81 H new ATOM 0 HB ILE A 130 15.898 -6.876 5.747 1.00 0.88 H new ATOM 0 HG12 ILE A 130 14.484 -5.020 4.899 1.00 0.86 H new ATOM 0 HG13 ILE A 130 15.056 -4.750 6.533 1.00 0.86 H new ATOM 0 HG21 ILE A 130 17.393 -5.508 7.166 1.00 1.01 H new ATOM 0 HG22 ILE A 130 18.308 -6.549 6.049 1.00 1.01 H new ATOM 0 HG23 ILE A 130 18.131 -4.812 5.704 1.00 1.01 H new ATOM 0 HD11 ILE A 130 15.187 -2.696 5.209 1.00 0.88 H new ATOM 0 HD12 ILE A 130 16.815 -3.237 5.682 1.00 0.88 H new ATOM 0 HD13 ILE A 130 16.234 -3.511 4.023 1.00 0.88 H new ATOM 1952 N ASP A 131 16.898 -8.628 3.459 1.00 0.83 N ATOM 1953 CA ASP A 131 17.626 -9.889 3.319 1.00 0.87 C ATOM 1954 C ASP A 131 18.332 -9.988 1.969 1.00 0.89 C ATOM 1955 O ASP A 131 19.302 -10.736 1.814 1.00 0.98 O ATOM 1956 CB ASP A 131 16.687 -11.092 3.499 1.00 0.88 C ATOM 1957 CG ASP A 131 15.420 -11.000 2.665 1.00 0.84 C ATOM 1958 OD1 ASP A 131 15.419 -10.311 1.629 1.00 1.02 O ATOM 1959 OD2 ASP A 131 14.396 -11.605 3.038 1.00 0.88 O ATOM 0 H ASP A 131 15.887 -8.706 3.352 1.00 0.83 H new ATOM 0 HA ASP A 131 18.382 -9.906 4.104 1.00 0.87 H new ATOM 0 HB2 ASP A 131 17.222 -12.004 3.234 1.00 0.88 H new ATOM 0 HB3 ASP A 131 16.415 -11.177 4.551 1.00 0.88 H new ATOM 1964 N GLY A 132 17.851 -9.236 0.995 1.00 0.87 N ATOM 1965 CA GLY A 132 18.444 -9.271 -0.326 1.00 0.92 C ATOM 1966 C GLY A 132 18.010 -10.496 -1.097 1.00 0.92 C ATOM 1967 O GLY A 132 18.748 -11.013 -1.937 1.00 0.94 O ATOM 0 H GLY A 132 17.059 -8.600 1.094 1.00 0.87 H new ATOM 0 HA2 GLY A 132 18.161 -8.374 -0.877 1.00 0.92 H new ATOM 0 HA3 GLY A 132 19.530 -9.261 -0.238 1.00 0.92 H new ATOM 1971 N ASP A 133 16.815 -10.974 -0.796 1.00 0.94 N ATOM 1972 CA ASP A 133 16.269 -12.150 -1.461 1.00 0.94 C ATOM 1973 C ASP A 133 15.364 -11.738 -2.618 1.00 0.89 C ATOM 1974 O ASP A 133 15.092 -12.535 -3.521 1.00 0.95 O ATOM 1975 CB ASP A 133 15.517 -13.045 -0.460 1.00 0.91 C ATOM 1976 CG ASP A 133 14.011 -12.860 -0.471 1.00 0.84 C ATOM 1977 OD1 ASP A 133 13.527 -11.802 -0.009 1.00 0.79 O ATOM 1978 OD2 ASP A 133 13.307 -13.783 -0.931 1.00 0.95 O ATOM 0 H ASP A 133 16.200 -10.565 -0.092 1.00 0.94 H new ATOM 0 HA ASP A 133 17.097 -12.730 -1.869 1.00 0.94 H new ATOM 0 HB2 ASP A 133 15.745 -14.088 -0.679 1.00 0.91 H new ATOM 0 HB3 ASP A 133 15.890 -12.841 0.544 1.00 0.91 H new ATOM 1983 N GLY A 134 14.908 -10.486 -2.587 1.00 0.84 N ATOM 1984 CA GLY A 134 14.064 -9.972 -3.648 1.00 0.84 C ATOM 1985 C GLY A 134 12.588 -10.188 -3.398 1.00 0.74 C ATOM 1986 O GLY A 134 11.762 -9.931 -4.274 1.00 0.78 O ATOM 0 H GLY A 134 15.111 -9.819 -1.842 1.00 0.84 H new ATOM 0 HA2 GLY A 134 14.253 -8.905 -3.768 1.00 0.84 H new ATOM 0 HA3 GLY A 134 14.340 -10.452 -4.587 1.00 0.84 H new ATOM 1990 N GLN A 135 12.257 -10.655 -2.208 1.00 0.69 N ATOM 1991 CA GLN A 135 10.874 -10.899 -1.840 1.00 0.65 C ATOM 1992 C GLN A 135 10.575 -10.299 -0.470 1.00 0.63 C ATOM 1993 O GLN A 135 11.074 -10.778 0.547 1.00 0.73 O ATOM 1994 CB GLN A 135 10.570 -12.395 -1.819 1.00 0.68 C ATOM 1995 CG GLN A 135 10.658 -13.075 -3.176 1.00 0.77 C ATOM 1996 CD GLN A 135 10.330 -14.552 -3.100 1.00 0.88 C ATOM 1997 OE1 GLN A 135 9.586 -14.991 -2.222 1.00 1.26 O ATOM 1998 NE2 GLN A 135 10.872 -15.329 -4.019 1.00 1.23 N ATOM 0 H GLN A 135 12.932 -10.874 -1.475 1.00 0.69 H new ATOM 0 HA GLN A 135 10.240 -10.423 -2.589 1.00 0.65 H new ATOM 0 HB2 GLN A 135 11.264 -12.884 -1.136 1.00 0.68 H new ATOM 0 HB3 GLN A 135 9.568 -12.544 -1.416 1.00 0.68 H new ATOM 0 HG2 GLN A 135 9.972 -12.588 -3.869 1.00 0.77 H new ATOM 0 HG3 GLN A 135 11.663 -12.948 -3.579 1.00 0.77 H new ATOM 0 HE21 GLN A 135 11.483 -14.928 -4.730 1.00 1.23 H new ATOM 0 HE22 GLN A 135 10.680 -16.331 -4.018 1.00 1.23 H new ATOM 2007 N VAL A 136 9.761 -9.253 -0.451 1.00 0.60 N ATOM 2008 CA VAL A 136 9.385 -8.593 0.789 1.00 0.59 C ATOM 2009 C VAL A 136 8.421 -9.476 1.576 1.00 0.58 C ATOM 2010 O VAL A 136 7.344 -9.825 1.084 1.00 0.61 O ATOM 2011 CB VAL A 136 8.722 -7.219 0.532 1.00 0.60 C ATOM 2012 CG1 VAL A 136 8.384 -6.536 1.846 1.00 0.59 C ATOM 2013 CG2 VAL A 136 9.617 -6.334 -0.326 1.00 0.69 C ATOM 0 H VAL A 136 9.346 -8.842 -1.287 1.00 0.60 H new ATOM 0 HA VAL A 136 10.298 -8.429 1.362 1.00 0.59 H new ATOM 0 HB VAL A 136 7.794 -7.386 -0.015 1.00 0.60 H new ATOM 0 HG11 VAL A 136 7.919 -5.571 1.645 1.00 0.59 H new ATOM 0 HG12 VAL A 136 7.694 -7.161 2.414 1.00 0.59 H new ATOM 0 HG13 VAL A 136 9.296 -6.386 2.423 1.00 0.59 H new ATOM 0 HG21 VAL A 136 9.128 -5.374 -0.492 1.00 0.69 H new ATOM 0 HG22 VAL A 136 10.567 -6.174 0.184 1.00 0.69 H new ATOM 0 HG23 VAL A 136 9.797 -6.820 -1.285 1.00 0.69 H new ATOM 2023 N ASN A 137 8.826 -9.865 2.779 1.00 0.58 N ATOM 2024 CA ASN A 137 7.990 -10.704 3.627 1.00 0.59 C ATOM 2025 C ASN A 137 7.217 -9.847 4.629 1.00 0.59 C ATOM 2026 O ASN A 137 7.295 -8.615 4.589 1.00 0.59 O ATOM 2027 CB ASN A 137 8.829 -11.781 4.337 1.00 0.61 C ATOM 2028 CG ASN A 137 9.878 -11.238 5.281 1.00 0.63 C ATOM 2029 OD1 ASN A 137 9.643 -10.286 6.016 1.00 0.97 O ATOM 2030 ND2 ASN A 137 11.049 -11.854 5.274 1.00 0.86 N ATOM 0 H ASN A 137 9.726 -9.613 3.188 1.00 0.58 H new ATOM 0 HA ASN A 137 7.266 -11.219 2.996 1.00 0.59 H new ATOM 0 HB2 ASN A 137 8.160 -12.435 4.896 1.00 0.61 H new ATOM 0 HB3 ASN A 137 9.320 -12.396 3.583 1.00 0.61 H new ATOM 0 HD21 ASN A 137 11.794 -11.540 5.895 1.00 0.86 H new ATOM 0 HD22 ASN A 137 11.206 -12.643 4.647 1.00 0.86 H new ATOM 2037 N TYR A 138 6.488 -10.500 5.535 1.00 0.61 N ATOM 2038 CA TYR A 138 5.682 -9.801 6.534 1.00 0.63 C ATOM 2039 C TYR A 138 6.533 -8.880 7.401 1.00 0.63 C ATOM 2040 O TYR A 138 6.235 -7.693 7.533 1.00 0.65 O ATOM 2041 CB TYR A 138 4.931 -10.808 7.416 1.00 0.67 C ATOM 2042 CG TYR A 138 3.437 -10.595 7.428 1.00 0.72 C ATOM 2043 CD1 TYR A 138 2.645 -11.093 6.406 1.00 0.90 C ATOM 2044 CD2 TYR A 138 2.820 -9.899 8.457 1.00 0.89 C ATOM 2045 CE1 TYR A 138 1.279 -10.900 6.405 1.00 1.10 C ATOM 2046 CE2 TYR A 138 1.452 -9.702 8.467 1.00 1.04 C ATOM 2047 CZ TYR A 138 0.683 -10.203 7.441 1.00 1.10 C ATOM 2048 OH TYR A 138 -0.683 -10.002 7.443 1.00 1.35 O ATOM 0 H TYR A 138 6.440 -11.517 5.597 1.00 0.61 H new ATOM 0 HA TYR A 138 4.960 -9.184 5.999 1.00 0.63 H new ATOM 0 HB2 TYR A 138 5.144 -11.818 7.065 1.00 0.67 H new ATOM 0 HB3 TYR A 138 5.309 -10.739 8.436 1.00 0.67 H new ATOM 0 HD1 TYR A 138 3.105 -11.641 5.597 1.00 0.90 H new ATOM 0 HD2 TYR A 138 3.419 -9.504 9.264 1.00 0.89 H new ATOM 0 HE1 TYR A 138 0.677 -11.292 5.598 1.00 1.10 H new ATOM 0 HE2 TYR A 138 0.988 -9.157 9.276 1.00 1.04 H new ATOM 0 HH TYR A 138 -0.938 -9.496 8.242 1.00 1.35 H new ATOM 2058 N GLU A 139 7.602 -9.428 7.963 1.00 0.64 N ATOM 2059 CA GLU A 139 8.501 -8.665 8.831 1.00 0.66 C ATOM 2060 C GLU A 139 9.077 -7.448 8.110 1.00 0.62 C ATOM 2061 O GLU A 139 9.059 -6.333 8.635 1.00 0.60 O ATOM 2062 CB GLU A 139 9.646 -9.552 9.341 1.00 0.72 C ATOM 2063 CG GLU A 139 9.264 -10.436 10.517 1.00 1.39 C ATOM 2064 CD GLU A 139 8.537 -11.687 10.094 1.00 1.99 C ATOM 2065 OE1 GLU A 139 9.121 -12.491 9.338 1.00 2.60 O ATOM 2066 OE2 GLU A 139 7.382 -11.876 10.514 1.00 2.39 O ATOM 0 H GLU A 139 7.872 -10.403 7.835 1.00 0.64 H new ATOM 0 HA GLU A 139 7.912 -8.316 9.679 1.00 0.66 H new ATOM 0 HB2 GLU A 139 9.996 -10.183 8.524 1.00 0.72 H new ATOM 0 HB3 GLU A 139 10.482 -8.917 9.633 1.00 0.72 H new ATOM 0 HG2 GLU A 139 10.164 -10.712 11.066 1.00 1.39 H new ATOM 0 HG3 GLU A 139 8.634 -9.869 11.203 1.00 1.39 H new ATOM 2073 N GLU A 140 9.574 -7.661 6.903 1.00 0.61 N ATOM 2074 CA GLU A 140 10.172 -6.586 6.113 1.00 0.59 C ATOM 2075 C GLU A 140 9.177 -5.447 5.869 1.00 0.55 C ATOM 2076 O GLU A 140 9.539 -4.270 5.923 1.00 0.55 O ATOM 2077 CB GLU A 140 10.711 -7.136 4.784 1.00 0.60 C ATOM 2078 CG GLU A 140 11.930 -8.035 4.955 1.00 0.63 C ATOM 2079 CD GLU A 140 12.397 -8.661 3.649 1.00 0.62 C ATOM 2080 OE1 GLU A 140 11.603 -9.378 3.005 1.00 0.63 O ATOM 2081 OE2 GLU A 140 13.564 -8.461 3.253 1.00 0.66 O ATOM 0 H GLU A 140 9.577 -8.571 6.443 1.00 0.61 H new ATOM 0 HA GLU A 140 11.005 -6.174 6.683 1.00 0.59 H new ATOM 0 HB2 GLU A 140 9.922 -7.697 4.284 1.00 0.60 H new ATOM 0 HB3 GLU A 140 10.971 -6.302 4.132 1.00 0.60 H new ATOM 0 HG2 GLU A 140 12.746 -7.453 5.384 1.00 0.63 H new ATOM 0 HG3 GLU A 140 11.694 -8.826 5.666 1.00 0.63 H new ATOM 2088 N PHE A 141 7.920 -5.805 5.642 1.00 0.55 N ATOM 2089 CA PHE A 141 6.877 -4.817 5.402 1.00 0.54 C ATOM 2090 C PHE A 141 6.485 -4.120 6.707 1.00 0.55 C ATOM 2091 O PHE A 141 6.185 -2.923 6.711 1.00 0.56 O ATOM 2092 CB PHE A 141 5.656 -5.474 4.746 1.00 0.62 C ATOM 2093 CG PHE A 141 4.786 -4.528 3.963 1.00 0.62 C ATOM 2094 CD1 PHE A 141 5.296 -3.798 2.892 1.00 0.59 C ATOM 2095 CD2 PHE A 141 3.444 -4.383 4.287 1.00 0.80 C ATOM 2096 CE1 PHE A 141 4.478 -2.946 2.172 1.00 0.68 C ATOM 2097 CE2 PHE A 141 2.628 -3.537 3.568 1.00 0.88 C ATOM 2098 CZ PHE A 141 3.142 -2.819 2.510 1.00 0.79 C ATOM 0 H PHE A 141 7.598 -6.773 5.619 1.00 0.55 H new ATOM 0 HA PHE A 141 7.266 -4.062 4.719 1.00 0.54 H new ATOM 0 HB2 PHE A 141 5.999 -6.267 4.082 1.00 0.62 H new ATOM 0 HB3 PHE A 141 5.052 -5.946 5.521 1.00 0.62 H new ATOM 0 HD1 PHE A 141 6.337 -3.898 2.622 1.00 0.59 H new ATOM 0 HD2 PHE A 141 3.033 -4.942 5.115 1.00 0.80 H new ATOM 0 HE1 PHE A 141 4.882 -2.380 1.346 1.00 0.68 H new ATOM 0 HE2 PHE A 141 1.586 -3.437 3.833 1.00 0.88 H new ATOM 0 HZ PHE A 141 2.502 -2.157 1.945 1.00 0.79 H new ATOM 2108 N VAL A 142 6.501 -4.861 7.814 1.00 0.57 N ATOM 2109 CA VAL A 142 6.162 -4.286 9.119 1.00 0.60 C ATOM 2110 C VAL A 142 7.180 -3.207 9.496 1.00 0.59 C ATOM 2111 O VAL A 142 6.815 -2.128 9.960 1.00 0.58 O ATOM 2112 CB VAL A 142 6.097 -5.361 10.239 1.00 0.65 C ATOM 2113 CG1 VAL A 142 5.980 -4.718 11.619 1.00 0.70 C ATOM 2114 CG2 VAL A 142 4.936 -6.307 10.006 1.00 0.66 C ATOM 0 H VAL A 142 6.742 -5.852 7.836 1.00 0.57 H new ATOM 0 HA VAL A 142 5.169 -3.845 9.030 1.00 0.60 H new ATOM 0 HB VAL A 142 7.027 -5.929 10.205 1.00 0.65 H new ATOM 0 HG11 VAL A 142 5.937 -5.497 12.381 1.00 0.70 H new ATOM 0 HG12 VAL A 142 6.847 -4.082 11.799 1.00 0.70 H new ATOM 0 HG13 VAL A 142 5.073 -4.116 11.664 1.00 0.70 H new ATOM 0 HG21 VAL A 142 4.908 -7.052 10.801 1.00 0.66 H new ATOM 0 HG22 VAL A 142 4.003 -5.744 10.004 1.00 0.66 H new ATOM 0 HG23 VAL A 142 5.061 -6.806 9.045 1.00 0.66 H new ATOM 2124 N GLN A 143 8.454 -3.493 9.249 1.00 0.61 N ATOM 2125 CA GLN A 143 9.534 -2.549 9.546 1.00 0.62 C ATOM 2126 C GLN A 143 9.464 -1.313 8.633 1.00 0.59 C ATOM 2127 O GLN A 143 10.245 -0.373 8.785 1.00 0.69 O ATOM 2128 CB GLN A 143 10.897 -3.236 9.382 1.00 0.72 C ATOM 2129 CG GLN A 143 11.029 -4.531 10.169 1.00 1.03 C ATOM 2130 CD GLN A 143 12.355 -5.248 9.935 1.00 1.17 C ATOM 2131 OE1 GLN A 143 12.898 -5.870 10.850 1.00 1.50 O ATOM 2132 NE2 GLN A 143 12.886 -5.178 8.716 1.00 1.47 N ATOM 0 H GLN A 143 8.768 -4.374 8.842 1.00 0.61 H new ATOM 0 HA GLN A 143 9.414 -2.219 10.578 1.00 0.62 H new ATOM 0 HB2 GLN A 143 11.063 -3.445 8.325 1.00 0.72 H new ATOM 0 HB3 GLN A 143 11.681 -2.548 9.698 1.00 0.72 H new ATOM 0 HG2 GLN A 143 10.924 -4.314 11.232 1.00 1.03 H new ATOM 0 HG3 GLN A 143 10.211 -5.198 9.897 1.00 1.03 H new ATOM 0 HE21 GLN A 143 12.410 -4.654 7.982 1.00 1.47 H new ATOM 0 HE22 GLN A 143 13.769 -5.648 8.517 1.00 1.47 H new ATOM 2141 N MET A 144 8.527 -1.320 7.688 1.00 0.57 N ATOM 2142 CA MET A 144 8.366 -0.212 6.757 1.00 0.62 C ATOM 2143 C MET A 144 7.061 0.545 7.008 1.00 0.62 C ATOM 2144 O MET A 144 6.977 1.756 6.798 1.00 0.70 O ATOM 2145 CB MET A 144 8.402 -0.732 5.323 1.00 0.72 C ATOM 2146 CG MET A 144 9.769 -0.592 4.675 1.00 0.84 C ATOM 2147 SD MET A 144 9.940 0.957 3.778 1.00 0.89 S ATOM 2148 CE MET A 144 8.722 0.724 2.485 1.00 0.88 C ATOM 0 H MET A 144 7.867 -2.085 7.549 1.00 0.57 H new ATOM 0 HA MET A 144 9.190 0.484 6.913 1.00 0.62 H new ATOM 0 HB2 MET A 144 8.108 -1.782 5.316 1.00 0.72 H new ATOM 0 HB3 MET A 144 7.667 -0.191 4.728 1.00 0.72 H new ATOM 0 HG2 MET A 144 10.541 -0.653 5.442 1.00 0.84 H new ATOM 0 HG3 MET A 144 9.932 -1.425 3.992 1.00 0.84 H new ATOM 0 HE1 MET A 144 8.860 1.482 1.714 1.00 0.88 H new ATOM 0 HE2 MET A 144 8.843 -0.266 2.046 1.00 0.88 H new ATOM 0 HE3 MET A 144 7.721 0.814 2.907 1.00 0.88 H new ATOM 2158 N MET A 145 6.031 -0.163 7.458 1.00 0.62 N ATOM 2159 CA MET A 145 4.749 0.473 7.718 1.00 0.70 C ATOM 2160 C MET A 145 4.662 0.956 9.157 1.00 0.69 C ATOM 2161 O MET A 145 4.344 2.116 9.413 1.00 0.74 O ATOM 2162 CB MET A 145 3.587 -0.475 7.406 1.00 0.81 C ATOM 2163 CG MET A 145 3.104 -0.393 5.963 1.00 1.05 C ATOM 2164 SD MET A 145 1.308 -0.232 5.835 1.00 0.94 S ATOM 2165 CE MET A 145 1.060 1.386 6.566 1.00 1.47 C ATOM 0 H MET A 145 6.059 -1.165 7.648 1.00 0.62 H new ATOM 0 HA MET A 145 4.672 1.337 7.058 1.00 0.70 H new ATOM 0 HB2 MET A 145 3.896 -1.498 7.619 1.00 0.81 H new ATOM 0 HB3 MET A 145 2.755 -0.248 8.072 1.00 0.81 H new ATOM 0 HG2 MET A 145 3.577 0.459 5.474 1.00 1.05 H new ATOM 0 HG3 MET A 145 3.424 -1.286 5.426 1.00 1.05 H new ATOM 0 HE1 MET A 145 0.002 1.527 6.788 1.00 1.47 H new ATOM 0 HE2 MET A 145 1.637 1.461 7.487 1.00 1.47 H new ATOM 0 HE3 MET A 145 1.389 2.155 5.867 1.00 1.47 H new ATOM 2175 N THR A 146 4.973 0.071 10.086 1.00 0.68 N ATOM 2176 CA THR A 146 4.917 0.400 11.502 1.00 0.74 C ATOM 2177 C THR A 146 6.149 1.180 11.942 1.00 0.81 C ATOM 2178 O THR A 146 6.076 2.006 12.845 1.00 0.94 O ATOM 2179 CB THR A 146 4.781 -0.867 12.354 1.00 0.89 C ATOM 2180 OG1 THR A 146 3.956 -1.805 11.653 1.00 0.93 O ATOM 2181 CG2 THR A 146 4.148 -0.556 13.701 1.00 1.07 C ATOM 0 H THR A 146 5.268 -0.885 9.886 1.00 0.68 H new ATOM 0 HA THR A 146 4.038 1.027 11.651 1.00 0.74 H new ATOM 0 HB THR A 146 5.774 -1.281 12.529 1.00 0.89 H new ATOM 0 HG1 THR A 146 3.600 -2.464 12.285 1.00 0.93 H new ATOM 0 HG21 THR A 146 4.064 -1.473 14.284 1.00 1.07 H new ATOM 0 HG22 THR A 146 4.770 0.160 14.239 1.00 1.07 H new ATOM 0 HG23 THR A 146 3.156 -0.132 13.547 1.00 1.07 H new ATOM 2189 N ALA A 147 7.277 0.919 11.300 1.00 0.91 N ATOM 2190 CA ALA A 147 8.515 1.617 11.631 1.00 1.05 C ATOM 2191 C ALA A 147 8.785 2.734 10.632 1.00 1.22 C ATOM 2192 O ALA A 147 7.894 3.131 9.875 1.00 1.28 O ATOM 2193 CB ALA A 147 9.688 0.653 11.668 1.00 1.33 C ATOM 0 H ALA A 147 7.364 0.233 10.550 1.00 0.91 H new ATOM 0 HA ALA A 147 8.398 2.055 12.622 1.00 1.05 H new ATOM 0 HB1 ALA A 147 10.599 1.198 11.917 1.00 1.33 H new ATOM 0 HB2 ALA A 147 9.506 -0.113 12.422 1.00 1.33 H new ATOM 0 HB3 ALA A 147 9.802 0.181 10.692 1.00 1.33 H new TER 2199 ALA A 147 ATOM 2200 N MET B 1 -11.500 -1.146 0.090 1.00 1.22 N ATOM 2201 CA MET B 1 -10.198 -0.799 0.736 1.00 0.87 C ATOM 2202 C MET B 1 -9.193 -0.386 -0.342 1.00 0.74 C ATOM 2203 O MET B 1 -8.046 -0.035 -0.075 1.00 0.83 O ATOM 2204 CB MET B 1 -9.678 -1.968 1.585 1.00 1.06 C ATOM 2205 CG MET B 1 -8.988 -1.515 2.861 1.00 1.77 C ATOM 2206 SD MET B 1 -8.794 -2.860 4.039 1.00 2.30 S ATOM 2207 CE MET B 1 -8.096 -2.000 5.452 1.00 2.55 C ATOM 0 H1 MET B 1 -12.238 -1.229 0.818 1.00 1.22 H new ATOM 0 H2 MET B 1 -11.762 -0.400 -0.585 1.00 1.22 H new ATOM 0 H3 MET B 1 -11.407 -2.051 -0.413 1.00 1.22 H new ATOM 0 HA MET B 1 -10.342 0.042 1.414 1.00 0.87 H new ATOM 0 HB2 MET B 1 -10.511 -2.622 1.842 1.00 1.06 H new ATOM 0 HB3 MET B 1 -8.980 -2.559 0.991 1.00 1.06 H new ATOM 0 HG2 MET B 1 -8.009 -1.104 2.617 1.00 1.77 H new ATOM 0 HG3 MET B 1 -9.566 -0.712 3.320 1.00 1.77 H new ATOM 0 HE1 MET B 1 -7.923 -2.710 6.261 1.00 2.55 H new ATOM 0 HE2 MET B 1 -7.151 -1.538 5.166 1.00 2.55 H new ATOM 0 HE3 MET B 1 -8.790 -1.229 5.788 1.00 2.55 H new ATOM 2219 N ASP B 2 -9.663 -0.478 -1.569 1.00 0.76 N ATOM 2220 CA ASP B 2 -8.910 -0.138 -2.763 1.00 0.78 C ATOM 2221 C ASP B 2 -8.251 1.245 -2.655 1.00 0.70 C ATOM 2222 O ASP B 2 -7.035 1.383 -2.827 1.00 0.70 O ATOM 2223 CB ASP B 2 -9.868 -0.164 -3.966 1.00 0.98 C ATOM 2224 CG ASP B 2 -11.142 -0.921 -3.675 1.00 1.25 C ATOM 2225 OD1 ASP B 2 -11.897 -0.506 -2.756 1.00 1.88 O ATOM 2226 OD2 ASP B 2 -11.367 -1.943 -4.332 1.00 1.67 O ATOM 0 H ASP B 2 -10.609 -0.801 -1.771 1.00 0.76 H new ATOM 0 HA ASP B 2 -8.110 -0.868 -2.887 1.00 0.78 H new ATOM 0 HB2 ASP B 2 -10.114 0.858 -4.252 1.00 0.98 H new ATOM 0 HB3 ASP B 2 -9.364 -0.621 -4.818 1.00 0.98 H new ATOM 2231 N CYS B 3 -9.058 2.269 -2.377 1.00 0.64 N ATOM 2232 CA CYS B 3 -8.550 3.626 -2.262 1.00 0.57 C ATOM 2233 C CYS B 3 -7.536 3.747 -1.120 1.00 0.57 C ATOM 2234 O CYS B 3 -6.571 4.505 -1.219 1.00 0.59 O ATOM 2235 CB CYS B 3 -9.713 4.623 -2.107 1.00 0.51 C ATOM 2236 SG CYS B 3 -11.028 4.428 -3.364 1.00 0.42 S ATOM 0 H CYS B 3 -10.063 2.180 -2.228 1.00 0.64 H new ATOM 0 HA CYS B 3 -8.019 3.874 -3.181 1.00 0.57 H new ATOM 0 HB2 CYS B 3 -10.151 4.504 -1.116 1.00 0.51 H new ATOM 0 HB3 CYS B 3 -9.319 5.638 -2.162 1.00 0.51 H new ATOM 0 HG CYS B 3 -10.517 4.567 -4.551 1.00 0.42 H new ATOM 2242 N LEU B 4 -7.743 2.967 -0.060 1.00 0.59 N ATOM 2243 CA LEU B 4 -6.856 2.975 1.103 1.00 0.61 C ATOM 2244 C LEU B 4 -5.564 2.244 0.832 1.00 0.57 C ATOM 2245 O LEU B 4 -4.506 2.713 1.245 1.00 0.56 O ATOM 2246 CB LEU B 4 -7.568 2.373 2.313 1.00 0.67 C ATOM 2247 CG LEU B 4 -6.910 2.639 3.669 1.00 0.90 C ATOM 2248 CD1 LEU B 4 -6.168 3.984 3.658 1.00 1.09 C ATOM 2249 CD2 LEU B 4 -7.967 2.612 4.778 1.00 1.25 C ATOM 0 H LEU B 4 -8.524 2.316 0.017 1.00 0.59 H new ATOM 0 HA LEU B 4 -6.602 4.013 1.317 1.00 0.61 H new ATOM 0 HB2 LEU B 4 -8.587 2.760 2.342 1.00 0.67 H new ATOM 0 HB3 LEU B 4 -7.640 1.295 2.170 1.00 0.67 H new ATOM 0 HG LEU B 4 -6.179 1.854 3.863 1.00 0.90 H new ATOM 0 HD11 LEU B 4 -5.708 4.154 4.631 1.00 1.09 H new ATOM 0 HD12 LEU B 4 -5.396 3.967 2.889 1.00 1.09 H new ATOM 0 HD13 LEU B 4 -6.874 4.787 3.446 1.00 1.09 H new ATOM 0 HD21 LEU B 4 -7.490 2.802 5.740 1.00 1.25 H new ATOM 0 HD22 LEU B 4 -8.716 3.381 4.586 1.00 1.25 H new ATOM 0 HD23 LEU B 4 -8.448 1.634 4.799 1.00 1.25 H new ATOM 2261 N CYS B 5 -5.633 1.111 0.155 1.00 0.58 N ATOM 2262 CA CYS B 5 -4.425 0.381 -0.175 1.00 0.57 C ATOM 2263 C CYS B 5 -3.585 1.225 -1.113 1.00 0.59 C ATOM 2264 O CYS B 5 -2.366 1.066 -1.171 1.00 0.61 O ATOM 2265 CB CYS B 5 -4.733 -1.003 -0.773 1.00 0.61 C ATOM 2266 SG CYS B 5 -5.307 -1.020 -2.490 1.00 0.60 S ATOM 0 H CYS B 5 -6.499 0.683 -0.172 1.00 0.58 H new ATOM 0 HA CYS B 5 -3.863 0.192 0.740 1.00 0.57 H new ATOM 0 HB2 CYS B 5 -3.832 -1.613 -0.706 1.00 0.61 H new ATOM 0 HB3 CYS B 5 -5.490 -1.483 -0.153 1.00 0.61 H new ATOM 0 HG CYS B 5 -5.893 0.108 -2.763 1.00 0.60 H new ATOM 2272 N ILE B 6 -4.257 2.124 -1.851 1.00 0.59 N ATOM 2273 CA ILE B 6 -3.578 3.044 -2.741 1.00 0.61 C ATOM 2274 C ILE B 6 -2.763 3.997 -1.870 1.00 0.58 C ATOM 2275 O ILE B 6 -1.615 4.324 -2.180 1.00 0.60 O ATOM 2276 CB ILE B 6 -4.570 3.836 -3.656 1.00 0.60 C ATOM 2277 CG1 ILE B 6 -4.733 3.122 -5.009 1.00 0.61 C ATOM 2278 CG2 ILE B 6 -4.104 5.275 -3.835 1.00 0.62 C ATOM 2279 CD1 ILE B 6 -5.009 4.046 -6.156 1.00 0.53 C ATOM 0 H ILE B 6 -5.272 2.223 -1.840 1.00 0.59 H new ATOM 0 HA ILE B 6 -2.935 2.484 -3.420 1.00 0.61 H new ATOM 0 HB ILE B 6 -5.547 3.866 -3.173 1.00 0.60 H new ATOM 0 HG12 ILE B 6 -3.826 2.557 -5.221 1.00 0.61 H new ATOM 0 HG13 ILE B 6 -5.547 2.401 -4.932 1.00 0.61 H new ATOM 0 HG21 ILE B 6 -4.807 5.808 -4.474 1.00 0.62 H new ATOM 0 HG22 ILE B 6 -4.054 5.765 -2.863 1.00 0.62 H new ATOM 0 HG23 ILE B 6 -3.116 5.283 -4.296 1.00 0.62 H new ATOM 0 HD11 ILE B 6 -5.111 3.467 -7.074 1.00 0.53 H new ATOM 0 HD12 ILE B 6 -5.933 4.593 -5.968 1.00 0.53 H new ATOM 0 HD13 ILE B 6 -4.184 4.751 -6.262 1.00 0.53 H new ATOM 2291 N VAL B 7 -3.370 4.408 -0.751 1.00 0.54 N ATOM 2292 CA VAL B 7 -2.712 5.294 0.202 1.00 0.51 C ATOM 2293 C VAL B 7 -1.516 4.572 0.819 1.00 0.52 C ATOM 2294 O VAL B 7 -0.434 5.145 0.953 1.00 0.57 O ATOM 2295 CB VAL B 7 -3.677 5.796 1.315 1.00 0.48 C ATOM 2296 CG1 VAL B 7 -3.008 6.878 2.142 1.00 0.46 C ATOM 2297 CG2 VAL B 7 -4.949 6.329 0.699 1.00 0.56 C ATOM 0 H VAL B 7 -4.318 4.138 -0.487 1.00 0.54 H new ATOM 0 HA VAL B 7 -2.376 6.177 -0.341 1.00 0.51 H new ATOM 0 HB VAL B 7 -3.924 4.958 1.967 1.00 0.48 H new ATOM 0 HG11 VAL B 7 -3.694 7.220 2.917 1.00 0.46 H new ATOM 0 HG12 VAL B 7 -2.107 6.476 2.606 1.00 0.46 H new ATOM 0 HG13 VAL B 7 -2.741 7.716 1.498 1.00 0.46 H new ATOM 0 HG21 VAL B 7 -5.617 6.677 1.487 1.00 0.56 H new ATOM 0 HG22 VAL B 7 -4.711 7.158 0.032 1.00 0.56 H new ATOM 0 HG23 VAL B 7 -5.439 5.537 0.133 1.00 0.56 H new ATOM 2307 N THR B 8 -1.706 3.301 1.156 1.00 0.51 N ATOM 2308 CA THR B 8 -0.631 2.493 1.727 1.00 0.52 C ATOM 2309 C THR B 8 0.468 2.269 0.682 1.00 0.58 C ATOM 2310 O THR B 8 1.663 2.332 0.981 1.00 0.62 O ATOM 2311 CB THR B 8 -1.144 1.126 2.222 1.00 0.53 C ATOM 2312 OG1 THR B 8 -2.385 1.284 2.900 1.00 0.58 O ATOM 2313 CG2 THR B 8 -0.127 0.484 3.158 1.00 0.63 C ATOM 0 H THR B 8 -2.592 2.808 1.045 1.00 0.51 H new ATOM 0 HA THR B 8 -0.231 3.039 2.582 1.00 0.52 H new ATOM 0 HB THR B 8 -1.288 0.478 1.357 1.00 0.53 H new ATOM 0 HG1 THR B 8 -2.927 0.476 2.783 1.00 0.58 H new ATOM 0 HG21 THR B 8 -0.504 -0.480 3.499 1.00 0.63 H new ATOM 0 HG22 THR B 8 0.814 0.339 2.628 1.00 0.63 H new ATOM 0 HG23 THR B 8 0.037 1.134 4.018 1.00 0.63 H new ATOM 2321 N THR B 9 0.052 2.028 -0.550 1.00 0.63 N ATOM 2322 CA THR B 9 0.991 1.834 -1.647 1.00 0.70 C ATOM 2323 C THR B 9 1.782 3.125 -1.851 1.00 0.73 C ATOM 2324 O THR B 9 2.974 3.102 -2.135 1.00 0.78 O ATOM 2325 CB THR B 9 0.264 1.461 -2.958 1.00 0.75 C ATOM 2326 OG1 THR B 9 -0.465 0.245 -2.774 1.00 0.83 O ATOM 2327 CG2 THR B 9 1.237 1.291 -4.131 1.00 0.71 C ATOM 0 H THR B 9 -0.930 1.962 -0.818 1.00 0.63 H new ATOM 0 HA THR B 9 1.658 1.011 -1.391 1.00 0.70 H new ATOM 0 HB THR B 9 -0.413 2.280 -3.200 1.00 0.75 H new ATOM 0 HG1 THR B 9 -1.167 0.383 -2.105 1.00 0.83 H new ATOM 0 HG21 THR B 9 0.680 1.029 -5.031 1.00 0.71 H new ATOM 0 HG22 THR B 9 1.775 2.225 -4.296 1.00 0.71 H new ATOM 0 HG23 THR B 9 1.949 0.498 -3.901 1.00 0.71 H new ATOM 2335 N LYS B 10 1.102 4.255 -1.698 1.00 0.74 N ATOM 2336 CA LYS B 10 1.737 5.558 -1.841 1.00 0.80 C ATOM 2337 C LYS B 10 2.781 5.747 -0.750 1.00 0.81 C ATOM 2338 O LYS B 10 3.847 6.295 -1.003 1.00 0.87 O ATOM 2339 CB LYS B 10 0.687 6.668 -1.783 1.00 0.82 C ATOM 2340 CG LYS B 10 0.712 7.605 -2.983 1.00 1.07 C ATOM 2341 CD LYS B 10 1.840 8.618 -2.867 1.00 1.51 C ATOM 2342 CE LYS B 10 2.862 8.444 -3.973 1.00 1.88 C ATOM 2343 NZ LYS B 10 4.095 9.253 -3.738 1.00 2.03 N ATOM 0 H LYS B 10 0.108 4.294 -1.474 1.00 0.74 H new ATOM 0 HA LYS B 10 2.233 5.609 -2.810 1.00 0.80 H new ATOM 0 HB2 LYS B 10 -0.302 6.216 -1.708 1.00 0.82 H new ATOM 0 HB3 LYS B 10 0.840 7.252 -0.875 1.00 0.82 H new ATOM 0 HG2 LYS B 10 0.833 7.025 -3.898 1.00 1.07 H new ATOM 0 HG3 LYS B 10 -0.242 8.127 -3.060 1.00 1.07 H new ATOM 0 HD2 LYS B 10 1.429 9.627 -2.906 1.00 1.51 H new ATOM 0 HD3 LYS B 10 2.329 8.510 -1.899 1.00 1.51 H new ATOM 0 HE2 LYS B 10 3.131 7.391 -4.054 1.00 1.88 H new ATOM 0 HE3 LYS B 10 2.417 8.733 -4.925 1.00 1.88 H new ATOM 0 HZ1 LYS B 10 4.292 9.836 -4.576 1.00 2.03 H new ATOM 0 HZ2 LYS B 10 3.954 9.870 -2.912 1.00 2.03 H new ATOM 0 HZ3 LYS B 10 4.899 8.617 -3.562 1.00 2.03 H new ATOM 2357 N LYS B 11 2.466 5.290 0.458 1.00 0.77 N ATOM 2358 CA LYS B 11 3.396 5.382 1.579 1.00 0.79 C ATOM 2359 C LYS B 11 4.636 4.548 1.272 1.00 0.82 C ATOM 2360 O LYS B 11 5.764 5.025 1.362 1.00 0.89 O ATOM 2361 CB LYS B 11 2.744 4.880 2.880 1.00 0.74 C ATOM 2362 CG LYS B 11 3.326 5.502 4.153 1.00 0.73 C ATOM 2363 CD LYS B 11 3.764 4.446 5.153 1.00 0.86 C ATOM 2364 CE LYS B 11 4.574 5.060 6.289 1.00 1.02 C ATOM 2365 NZ LYS B 11 4.840 4.090 7.393 1.00 1.32 N ATOM 0 H LYS B 11 1.574 4.852 0.686 1.00 0.77 H new ATOM 0 HA LYS B 11 3.673 6.427 1.718 1.00 0.79 H new ATOM 0 HB2 LYS B 11 1.675 5.090 2.842 1.00 0.74 H new ATOM 0 HB3 LYS B 11 2.855 3.797 2.935 1.00 0.74 H new ATOM 0 HG2 LYS B 11 4.178 6.130 3.893 1.00 0.73 H new ATOM 0 HG3 LYS B 11 2.580 6.150 4.613 1.00 0.73 H new ATOM 0 HD2 LYS B 11 2.887 3.942 5.560 1.00 0.86 H new ATOM 0 HD3 LYS B 11 4.361 3.688 4.646 1.00 0.86 H new ATOM 0 HE2 LYS B 11 5.522 5.428 5.897 1.00 1.02 H new ATOM 0 HE3 LYS B 11 4.038 5.921 6.688 1.00 1.02 H new ATOM 0 HZ1 LYS B 11 5.393 4.557 8.140 1.00 1.32 H new ATOM 0 HZ2 LYS B 11 3.937 3.757 7.788 1.00 1.32 H new ATOM 0 HZ3 LYS B 11 5.375 3.279 7.021 1.00 1.32 H new ATOM 2379 N TYR B 12 4.400 3.302 0.890 1.00 0.78 N ATOM 2380 CA TYR B 12 5.465 2.368 0.554 1.00 0.81 C ATOM 2381 C TYR B 12 6.278 2.901 -0.626 1.00 0.95 C ATOM 2382 O TYR B 12 7.494 2.766 -0.661 1.00 1.01 O ATOM 2383 CB TYR B 12 4.819 1.011 0.234 1.00 0.78 C ATOM 2384 CG TYR B 12 5.777 -0.153 0.092 1.00 0.80 C ATOM 2385 CD1 TYR B 12 6.321 -0.779 1.212 1.00 0.64 C ATOM 2386 CD2 TYR B 12 6.137 -0.621 -1.161 1.00 1.14 C ATOM 2387 CE1 TYR B 12 7.201 -1.838 1.086 1.00 0.78 C ATOM 2388 CE2 TYR B 12 7.019 -1.677 -1.304 1.00 1.21 C ATOM 2389 CZ TYR B 12 7.551 -2.283 -0.176 1.00 1.01 C ATOM 2390 OH TYR B 12 8.443 -3.319 -0.314 1.00 1.17 O ATOM 0 H TYR B 12 3.463 2.909 0.804 1.00 0.78 H new ATOM 0 HA TYR B 12 6.156 2.249 1.389 1.00 0.81 H new ATOM 0 HB2 TYR B 12 4.103 0.775 1.021 1.00 0.78 H new ATOM 0 HB3 TYR B 12 4.253 1.108 -0.693 1.00 0.78 H new ATOM 0 HD1 TYR B 12 6.050 -0.430 2.198 1.00 0.64 H new ATOM 0 HD2 TYR B 12 5.722 -0.153 -2.042 1.00 1.14 H new ATOM 0 HE1 TYR B 12 7.611 -2.313 1.965 1.00 0.78 H new ATOM 0 HE2 TYR B 12 7.292 -2.027 -2.289 1.00 1.21 H new ATOM 0 HH TYR B 12 9.188 -3.035 -0.884 1.00 1.17 H new ATOM 2400 N ARG B 13 5.589 3.538 -1.574 1.00 1.05 N ATOM 2401 CA ARG B 13 6.241 4.113 -2.752 1.00 1.20 C ATOM 2402 C ARG B 13 6.871 5.472 -2.428 1.00 1.27 C ATOM 2403 O ARG B 13 7.553 6.059 -3.258 1.00 1.46 O ATOM 2404 CB ARG B 13 5.245 4.255 -3.914 1.00 1.27 C ATOM 2405 CG ARG B 13 5.490 3.256 -5.043 1.00 1.21 C ATOM 2406 CD ARG B 13 5.949 3.945 -6.317 1.00 1.62 C ATOM 2407 NE ARG B 13 7.104 4.814 -6.095 1.00 2.12 N ATOM 2408 CZ ARG B 13 7.184 6.070 -6.533 1.00 2.44 C ATOM 2409 NH1 ARG B 13 6.180 6.609 -7.227 1.00 2.69 N ATOM 2410 NH2 ARG B 13 8.275 6.782 -6.290 1.00 3.10 N ATOM 0 H ARG B 13 4.578 3.669 -1.549 1.00 1.05 H new ATOM 0 HA ARG B 13 7.035 3.430 -3.055 1.00 1.20 H new ATOM 0 HB2 ARG B 13 4.232 4.122 -3.534 1.00 1.27 H new ATOM 0 HB3 ARG B 13 5.305 5.267 -4.314 1.00 1.27 H new ATOM 0 HG2 ARG B 13 6.242 2.532 -4.730 1.00 1.21 H new ATOM 0 HG3 ARG B 13 4.574 2.699 -5.241 1.00 1.21 H new ATOM 0 HD2 ARG B 13 6.202 3.192 -7.063 1.00 1.62 H new ATOM 0 HD3 ARG B 13 5.127 4.534 -6.725 1.00 1.62 H new ATOM 0 HE ARG B 13 7.895 4.436 -5.574 1.00 2.12 H new ATOM 0 HH11 ARG B 13 5.344 6.059 -7.425 1.00 2.69 H new ATOM 0 HH12 ARG B 13 6.248 7.571 -7.559 1.00 2.69 H new ATOM 0 HH21 ARG B 13 9.049 6.368 -5.770 1.00 3.10 H new ATOM 0 HH22 ARG B 13 8.341 7.744 -6.623 1.00 3.10 H new ATOM 2424 N TYR B 14 6.567 6.000 -1.251 1.00 1.21 N ATOM 2425 CA TYR B 14 7.140 7.263 -0.802 1.00 1.29 C ATOM 2426 C TYR B 14 8.374 6.994 0.055 1.00 1.32 C ATOM 2427 O TYR B 14 9.176 7.892 0.314 1.00 1.47 O ATOM 2428 CB TYR B 14 6.102 8.083 -0.032 1.00 1.24 C ATOM 2429 CG TYR B 14 6.433 9.557 0.087 1.00 1.21 C ATOM 2430 CD1 TYR B 14 6.326 10.403 -1.007 1.00 1.23 C ATOM 2431 CD2 TYR B 14 6.822 10.103 1.299 1.00 1.26 C ATOM 2432 CE1 TYR B 14 6.599 11.754 -0.894 1.00 1.26 C ATOM 2433 CE2 TYR B 14 7.103 11.450 1.419 1.00 1.30 C ATOM 2434 CZ TYR B 14 6.986 12.272 0.324 1.00 1.28 C ATOM 2435 OH TYR B 14 7.257 13.618 0.448 1.00 1.38 O ATOM 0 H TYR B 14 5.923 5.571 -0.586 1.00 1.21 H new ATOM 0 HA TYR B 14 7.442 7.846 -1.672 1.00 1.29 H new ATOM 0 HB2 TYR B 14 5.136 7.979 -0.525 1.00 1.24 H new ATOM 0 HB3 TYR B 14 5.996 7.665 0.969 1.00 1.24 H new ATOM 0 HD1 TYR B 14 6.025 10.000 -1.963 1.00 1.23 H new ATOM 0 HD2 TYR B 14 6.907 9.464 2.166 1.00 1.26 H new ATOM 0 HE1 TYR B 14 6.510 12.400 -1.755 1.00 1.26 H new ATOM 0 HE2 TYR B 14 7.414 11.856 2.370 1.00 1.30 H new ATOM 0 HH TYR B 14 7.515 13.816 1.373 1.00 1.38 H new ATOM 2445 N GLN B 15 8.512 5.744 0.497 1.00 1.21 N ATOM 2446 CA GLN B 15 9.638 5.336 1.318 1.00 1.23 C ATOM 2447 C GLN B 15 10.802 4.906 0.432 1.00 1.37 C ATOM 2448 O GLN B 15 11.926 4.717 0.905 1.00 1.37 O ATOM 2449 CB GLN B 15 9.222 4.188 2.247 1.00 1.12 C ATOM 2450 CG GLN B 15 9.224 4.571 3.716 1.00 1.04 C ATOM 2451 CD GLN B 15 8.108 5.532 4.079 1.00 1.16 C ATOM 2452 OE1 GLN B 15 7.014 5.117 4.455 1.00 1.25 O ATOM 2453 NE2 GLN B 15 8.380 6.825 3.981 1.00 1.41 N ATOM 0 H GLN B 15 7.849 4.996 0.295 1.00 1.21 H new ATOM 0 HA GLN B 15 9.957 6.181 1.928 1.00 1.23 H new ATOM 0 HB2 GLN B 15 8.224 3.849 1.969 1.00 1.12 H new ATOM 0 HB3 GLN B 15 9.898 3.346 2.098 1.00 1.12 H new ATOM 0 HG2 GLN B 15 9.131 3.669 4.321 1.00 1.04 H new ATOM 0 HG3 GLN B 15 10.183 5.025 3.966 1.00 1.04 H new ATOM 0 HE21 GLN B 15 9.301 7.130 3.665 1.00 1.41 H new ATOM 0 HE22 GLN B 15 7.669 7.515 4.222 1.00 1.41 H new ATOM 2462 N ASP B 16 10.527 4.775 -0.862 1.00 1.59 N ATOM 2463 CA ASP B 16 11.535 4.362 -1.828 1.00 1.76 C ATOM 2464 C ASP B 16 12.699 5.359 -1.884 1.00 1.96 C ATOM 2465 O ASP B 16 13.848 4.973 -2.091 1.00 2.05 O ATOM 2466 CB ASP B 16 10.900 4.177 -3.216 1.00 2.09 C ATOM 2467 CG ASP B 16 10.494 5.484 -3.895 1.00 2.24 C ATOM 2468 OD1 ASP B 16 10.159 6.459 -3.191 1.00 2.32 O ATOM 2469 OD2 ASP B 16 10.497 5.538 -5.148 1.00 2.65 O ATOM 0 H ASP B 16 9.607 4.951 -1.266 1.00 1.59 H new ATOM 0 HA ASP B 16 11.943 3.405 -1.503 1.00 1.76 H new ATOM 0 HB2 ASP B 16 11.605 3.650 -3.859 1.00 2.09 H new ATOM 0 HB3 ASP B 16 10.020 3.541 -3.119 1.00 2.09 H new ATOM 2474 N GLU B 17 12.404 6.636 -1.685 1.00 2.16 N ATOM 2475 CA GLU B 17 13.435 7.662 -1.701 1.00 2.48 C ATOM 2476 C GLU B 17 13.675 8.205 -0.288 1.00 2.44 C ATOM 2477 O GLU B 17 13.730 9.416 -0.065 1.00 2.36 O ATOM 2478 CB GLU B 17 13.054 8.791 -2.664 1.00 2.75 C ATOM 2479 CG GLU B 17 14.247 9.607 -3.142 1.00 3.19 C ATOM 2480 CD GLU B 17 14.100 10.068 -4.574 1.00 3.49 C ATOM 2481 OE1 GLU B 17 14.356 9.250 -5.488 1.00 4.01 O ATOM 2482 OE2 GLU B 17 13.743 11.249 -4.796 1.00 3.62 O ATOM 0 H GLU B 17 11.461 6.985 -1.511 1.00 2.16 H new ATOM 0 HA GLU B 17 14.364 7.214 -2.054 1.00 2.48 H new ATOM 0 HB2 GLU B 17 12.545 8.365 -3.529 1.00 2.75 H new ATOM 0 HB3 GLU B 17 12.344 9.455 -2.171 1.00 2.75 H new ATOM 0 HG2 GLU B 17 14.371 10.476 -2.495 1.00 3.19 H new ATOM 0 HG3 GLU B 17 15.153 9.008 -3.048 1.00 3.19 H new ATOM 2489 N ASP B 18 13.781 7.296 0.681 1.00 2.66 N ATOM 2490 CA ASP B 18 14.037 7.690 2.063 1.00 2.76 C ATOM 2491 C ASP B 18 15.535 7.861 2.283 1.00 3.15 C ATOM 2492 O ASP B 18 16.005 8.935 2.669 1.00 3.44 O ATOM 2493 CB ASP B 18 13.492 6.654 3.051 1.00 2.70 C ATOM 2494 CG ASP B 18 13.971 6.916 4.473 1.00 2.54 C ATOM 2495 OD1 ASP B 18 13.288 7.664 5.204 1.00 2.74 O ATOM 2496 OD2 ASP B 18 15.037 6.382 4.865 1.00 2.45 O ATOM 0 H ASP B 18 13.694 6.290 0.535 1.00 2.66 H new ATOM 0 HA ASP B 18 13.525 8.635 2.241 1.00 2.76 H new ATOM 0 HB2 ASP B 18 12.402 6.668 3.027 1.00 2.70 H new ATOM 0 HB3 ASP B 18 13.805 5.657 2.741 1.00 2.70 H new ATOM 2501 N THR B 19 16.276 6.788 2.039 1.00 3.25 N ATOM 2502 CA THR B 19 17.716 6.794 2.193 1.00 3.64 C ATOM 2503 C THR B 19 18.374 6.930 0.831 1.00 4.26 C ATOM 2504 O THR B 19 18.339 5.956 0.057 1.00 4.48 O ATOM 2505 CB THR B 19 18.213 5.513 2.883 1.00 3.58 C ATOM 2506 OG1 THR B 19 17.199 5.018 3.774 1.00 3.24 O ATOM 2507 CG2 THR B 19 19.489 5.789 3.662 1.00 3.63 C ATOM 0 H THR B 19 15.893 5.895 1.730 1.00 3.25 H new ATOM 0 HA THR B 19 17.986 7.642 2.822 1.00 3.64 H new ATOM 0 HB THR B 19 18.424 4.764 2.120 1.00 3.58 H new ATOM 0 HG1 THR B 19 16.656 5.766 4.099 1.00 3.24 H new ATOM 0 HG21 THR B 19 19.827 4.872 4.144 1.00 3.63 H new ATOM 0 HG22 THR B 19 20.261 6.146 2.981 1.00 3.63 H new ATOM 0 HG23 THR B 19 19.295 6.547 4.421 1.00 3.63 H new TER 2515 THR B 19 HETATM 2516 CA CA A 201 -17.334 8.238 -9.833 1.00 0.41 CA HETATM 2517 CA CA A 202 -18.969 7.347 3.174 1.00 0.48 CA HETATM 2518 CA CA A 203 3.596 -13.555 -3.848 1.00 0.50 CA HETATM 2519 CA CA A 204 13.141 -10.200 1.517 1.00 0.73 CA