USER MOD reduce.3.24.130724 H: found=0, std=0, add=1349, rem=0, adj=46 USER MOD reduce.3.24.130724 removed 1366 hydrogens (28 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 145 SER OG : rot 96:sc= 1.64 USER MOD Set 1.2: A 148 THR OG1 : rot -68:sc= -0.199 USER MOD Set 2.1: A 94 HIS : no HD1:sc= -0.0321 X(o=0.06,f=-0.0078) USER MOD Set 2.2: A 137 TYR OH : rot 30:sc= 0.0925 USER MOD Set 3.1: A 87 THR OG1 : rot -61:sc= 0.198 USER MOD Set 3.2: A 124 THR OG1 : rot -115:sc= 0.0869 USER MOD Set 4.1: A 86 ASN : amide:sc= 0.0609 K(o=1.7,f=-7.1!) USER MOD Set 4.2: A 89 SER OG : rot -42:sc= 1.65 USER MOD Set 5.1: A 32 TYR OH : rot 93:sc= 1.14 USER MOD Set 5.2: A 40 TYR OH : rot -130:sc= 1.04 USER MOD Set 6.1: A 16 LYS NZ :NH3+ -117:sc= 0.617 (180deg=0.747) USER MOD Set 6.2: A 58 THR OG1 : rot 180:sc= 0.665 USER MOD Set 7.1: A 2 THR OG1 : rot 84:sc= 1.24 USER MOD Set 7.2: A 51 CYS SG : rot 180:sc= 0.99 USER MOD Single : A 1 MET CE :methyl -170:sc= 0 (180deg=-0.0956) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ -126:sc= 1.57 (180deg=-0.0099) USER MOD Single : A 20 THR OG1 : rot 76:sc= 0.631 USER MOD Single : A 22 GLN : amide:sc= 0.463 K(o=0.46,f=-5.2!) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 ASN : amide:sc= -0.118 K(o=-0.12,f=-4.9!) USER MOD Single : A 27 HIS : no HD1:sc= -0.459 X(o=-0.46,f=-0.27) USER MOD Single : A 35 THR OG1 : rot -72:sc= 1.27 USER MOD Single : A 39 SER OG : rot 170:sc= -0.0749 USER MOD Single : A 42 LYS NZ :NH3+ 177:sc= 0.998 (180deg=0.979) USER MOD Single : A 43 GLN : amide:sc= -1.96! C(o=-2!,f=-1.4!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.136 K(o=-0.14,f=-0.83) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl -148:sc= 0 (180deg=-1.08) USER MOD Single : A 70 GLN : amide:sc= -0.36 X(o=-0.36,f=-0.0027) USER MOD Single : A 71 TYR OH : rot 180:sc= -1.14 USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.0815 USER MOD Single : A 80 CYS SG : rot 180:sc= -1.32 USER MOD Single : A 85 ASN : amide:sc= -1.72! C(o=-1.7!,f=-9.6!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 TYR OH : rot -77:sc= 0.0815 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 101 LYS NZ :NH3+ -177:sc= 1.24 (180deg=1.17) USER MOD Single : A 104 LYS NZ :NH3+ -151:sc= 1.89 (180deg=1.35) USER MOD Single : A 106 SER OG : rot 180:sc= -0.0352 USER MOD Single : A 111 MET CE :methyl -120:sc= -0.0644 (180deg=-0.202) USER MOD Single : A 116 ASN : amide:sc= 0.404 K(o=0.4,f=-8.4!) USER MOD Single : A 117 LYS NZ :NH3+ -173:sc= 1.26 (180deg=1.19) USER MOD Single : A 118 CYS SG : rot 180:sc= -0.117 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 127 THR OG1 : rot 180:sc= 0.132 USER MOD Single : A 128 LYS NZ :NH3+ -162:sc= 1.16 (180deg=0.779) USER MOD Single : A 129 GLN : amide:sc= 0.835 K(o=0.84,f=-4.6!) USER MOD Single : A 131 GLN : amide:sc= -0.145 X(o=-0.14,f=-0.21) USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD Single : A 144 THR OG1 : rot 170:sc= -0.0485 USER MOD Single : A 147 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 157 TYR OH : rot 104:sc= 1.22 USER MOD Single : A 158 THR OG1 : rot 78:sc= 1.24 USER MOD Single : A 165 LYS NZ :NH3+ 161:sc= 1.23 (180deg=0.605) USER MOD Single : A 166 HIS : no HE2:sc= 0.305 K(o=0.31,f=-2.5!) USER MOD Single : A 167 LYS NZ :NH3+ 152:sc= 1.25 (180deg=1.11) USER MOD Single : A 169 LYS NZ :NH3+ -168:sc= 1.05 (180deg=0.864) USER MOD Single : A 201 GDP O2' : rot 174:sc= 1.18 USER MOD Single : A 201 GDP O3' : rot -137:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 19.894 9.475 8.524 1.00 0.55 N ATOM 2 CA MET A 1 18.628 9.474 7.764 1.00 0.44 C ATOM 3 C MET A 1 18.607 8.300 6.794 1.00 0.43 C ATOM 4 O MET A 1 19.499 8.165 5.959 1.00 0.60 O ATOM 5 CB MET A 1 18.468 10.793 6.998 1.00 0.50 C ATOM 6 CG MET A 1 17.038 11.086 6.561 1.00 0.53 C ATOM 7 SD MET A 1 16.896 12.602 5.584 1.00 1.04 S ATOM 8 CE MET A 1 17.170 13.853 6.840 1.00 1.48 C ATOM 0 H1 MET A 1 19.902 10.279 9.184 1.00 0.55 H new ATOM 0 H2 MET A 1 19.979 8.587 9.059 1.00 0.55 H new ATOM 0 H3 MET A 1 20.694 9.560 7.865 1.00 0.55 H new ATOM 0 HA MET A 1 17.797 9.373 8.463 1.00 0.44 H new ATOM 0 HB2 MET A 1 18.820 11.611 7.626 1.00 0.50 H new ATOM 0 HB3 MET A 1 19.109 10.770 6.117 1.00 0.50 H new ATOM 0 HG2 MET A 1 16.663 10.246 5.976 1.00 0.53 H new ATOM 0 HG3 MET A 1 16.403 11.168 7.443 1.00 0.53 H new ATOM 0 HE1 MET A 1 16.939 14.836 6.431 1.00 1.48 H new ATOM 0 HE2 MET A 1 16.526 13.656 7.697 1.00 1.48 H new ATOM 0 HE3 MET A 1 18.213 13.828 7.157 1.00 1.48 H new ATOM 20 N THR A 2 17.608 7.444 6.925 1.00 0.36 N ATOM 21 CA THR A 2 17.482 6.288 6.054 1.00 0.41 C ATOM 22 C THR A 2 16.321 6.448 5.079 1.00 0.33 C ATOM 23 O THR A 2 15.302 7.048 5.412 1.00 0.35 O ATOM 24 CB THR A 2 17.266 5.011 6.885 1.00 0.57 C ATOM 25 OG1 THR A 2 16.858 5.361 8.215 1.00 1.04 O ATOM 26 CG2 THR A 2 18.533 4.180 6.956 1.00 0.91 C ATOM 0 H THR A 2 16.872 7.528 7.626 1.00 0.36 H new ATOM 0 HA THR A 2 18.409 6.208 5.486 1.00 0.41 H new ATOM 0 HB THR A 2 16.490 4.421 6.398 1.00 0.57 H new ATOM 0 HG1 THR A 2 15.891 5.520 8.229 1.00 1.04 H new ATOM 0 HG21 THR A 2 18.348 3.285 7.550 1.00 0.91 H new ATOM 0 HG22 THR A 2 18.836 3.892 5.949 1.00 0.91 H new ATOM 0 HG23 THR A 2 19.327 4.766 7.420 1.00 0.91 H new ATOM 34 N GLU A 3 16.477 5.926 3.871 1.00 0.31 N ATOM 35 CA GLU A 3 15.419 5.996 2.885 1.00 0.26 C ATOM 36 C GLU A 3 14.683 4.663 2.844 1.00 0.24 C ATOM 37 O GLU A 3 15.300 3.600 2.938 1.00 0.37 O ATOM 38 CB GLU A 3 15.978 6.341 1.506 1.00 0.37 C ATOM 39 CG GLU A 3 14.903 6.765 0.517 1.00 0.42 C ATOM 40 CD GLU A 3 15.341 6.655 -0.925 1.00 0.62 C ATOM 41 OE1 GLU A 3 15.115 5.590 -1.543 1.00 1.15 O ATOM 42 OE2 GLU A 3 15.905 7.640 -1.454 1.00 1.27 O ATOM 0 H GLU A 3 17.323 5.452 3.555 1.00 0.31 H new ATOM 0 HA GLU A 3 14.724 6.787 3.167 1.00 0.26 H new ATOM 0 HB2 GLU A 3 16.708 7.144 1.607 1.00 0.37 H new ATOM 0 HB3 GLU A 3 16.509 5.476 1.108 1.00 0.37 H new ATOM 0 HG2 GLU A 3 14.017 6.149 0.668 1.00 0.42 H new ATOM 0 HG3 GLU A 3 14.614 7.795 0.724 1.00 0.42 H new ATOM 49 N TYR A 4 13.371 4.720 2.740 1.00 0.19 N ATOM 50 CA TYR A 4 12.564 3.512 2.687 1.00 0.25 C ATOM 51 C TYR A 4 11.720 3.495 1.423 1.00 0.21 C ATOM 52 O TYR A 4 10.985 4.447 1.138 1.00 0.21 O ATOM 53 CB TYR A 4 11.684 3.405 3.930 1.00 0.37 C ATOM 54 CG TYR A 4 12.366 2.702 5.083 1.00 0.53 C ATOM 55 CD1 TYR A 4 12.154 1.348 5.316 1.00 0.91 C ATOM 56 CD2 TYR A 4 13.227 3.387 5.936 1.00 0.78 C ATOM 57 CE1 TYR A 4 12.772 0.697 6.363 1.00 1.06 C ATOM 58 CE2 TYR A 4 13.850 2.738 6.990 1.00 0.93 C ATOM 59 CZ TYR A 4 13.617 1.394 7.197 1.00 0.91 C ATOM 60 OH TYR A 4 14.237 0.744 8.241 1.00 1.11 O ATOM 0 H TYR A 4 12.838 5.588 2.690 1.00 0.19 H new ATOM 0 HA TYR A 4 13.228 2.648 2.665 1.00 0.25 H new ATOM 0 HB2 TYR A 4 11.389 4.406 4.246 1.00 0.37 H new ATOM 0 HB3 TYR A 4 10.770 2.869 3.675 1.00 0.37 H new ATOM 0 HD1 TYR A 4 11.493 0.795 4.665 1.00 0.91 H new ATOM 0 HD2 TYR A 4 13.412 4.439 5.774 1.00 0.78 H new ATOM 0 HE1 TYR A 4 12.594 -0.355 6.528 1.00 1.06 H new ATOM 0 HE2 TYR A 4 14.514 3.281 7.646 1.00 0.93 H new ATOM 0 HH TYR A 4 14.800 1.378 8.732 1.00 1.11 H new ATOM 70 N LYS A 5 11.848 2.420 0.653 1.00 0.24 N ATOM 71 CA LYS A 5 11.108 2.282 -0.590 1.00 0.26 C ATOM 72 C LYS A 5 9.753 1.634 -0.336 1.00 0.24 C ATOM 73 O LYS A 5 9.648 0.418 -0.154 1.00 0.29 O ATOM 74 CB LYS A 5 11.919 1.469 -1.601 1.00 0.40 C ATOM 75 CG LYS A 5 13.367 1.926 -1.732 1.00 0.81 C ATOM 76 CD LYS A 5 13.834 1.908 -3.180 1.00 0.65 C ATOM 77 CE LYS A 5 13.188 3.020 -3.999 1.00 0.62 C ATOM 78 NZ LYS A 5 13.592 4.373 -3.528 1.00 0.71 N ATOM 0 H LYS A 5 12.459 1.632 0.870 1.00 0.24 H new ATOM 0 HA LYS A 5 10.935 3.275 -1.006 1.00 0.26 H new ATOM 0 HB2 LYS A 5 11.903 0.420 -1.307 1.00 0.40 H new ATOM 0 HB3 LYS A 5 11.437 1.534 -2.576 1.00 0.40 H new ATOM 0 HG2 LYS A 5 13.468 2.934 -1.329 1.00 0.81 H new ATOM 0 HG3 LYS A 5 14.009 1.278 -1.135 1.00 0.81 H new ATOM 0 HD2 LYS A 5 14.918 2.015 -3.213 1.00 0.65 H new ATOM 0 HD3 LYS A 5 13.596 0.943 -3.627 1.00 0.65 H new ATOM 0 HE2 LYS A 5 13.465 2.904 -5.047 1.00 0.62 H new ATOM 0 HE3 LYS A 5 12.103 2.927 -3.943 1.00 0.62 H new ATOM 0 HZ1 LYS A 5 12.743 4.939 -3.327 1.00 0.71 H new ATOM 0 HZ2 LYS A 5 14.161 4.284 -2.662 1.00 0.71 H new ATOM 0 HZ3 LYS A 5 14.155 4.843 -4.265 1.00 0.71 H new ATOM 92 N LEU A 6 8.718 2.457 -0.333 1.00 0.26 N ATOM 93 CA LEU A 6 7.361 1.984 -0.097 1.00 0.33 C ATOM 94 C LEU A 6 6.554 2.022 -1.388 1.00 0.27 C ATOM 95 O LEU A 6 6.544 3.028 -2.101 1.00 0.29 O ATOM 96 CB LEU A 6 6.672 2.840 0.972 1.00 0.45 C ATOM 97 CG LEU A 6 6.884 2.391 2.423 1.00 0.70 C ATOM 98 CD1 LEU A 6 8.297 2.719 2.889 1.00 1.39 C ATOM 99 CD2 LEU A 6 5.862 3.047 3.336 1.00 1.08 C ATOM 0 H LEU A 6 8.791 3.462 -0.492 1.00 0.26 H new ATOM 0 HA LEU A 6 7.415 0.955 0.257 1.00 0.33 H new ATOM 0 HB2 LEU A 6 7.026 3.866 0.873 1.00 0.45 H new ATOM 0 HB3 LEU A 6 5.601 2.851 0.767 1.00 0.45 H new ATOM 0 HG LEU A 6 6.750 1.310 2.468 1.00 0.70 H new ATOM 0 HD11 LEU A 6 8.425 2.392 3.921 1.00 1.39 H new ATOM 0 HD12 LEU A 6 9.018 2.205 2.253 1.00 1.39 H new ATOM 0 HD13 LEU A 6 8.460 3.795 2.827 1.00 1.39 H new ATOM 0 HD21 LEU A 6 6.026 2.718 4.362 1.00 1.08 H new ATOM 0 HD22 LEU A 6 5.968 4.130 3.281 1.00 1.08 H new ATOM 0 HD23 LEU A 6 4.858 2.764 3.021 1.00 1.08 H new ATOM 111 N VAL A 7 5.869 0.931 -1.682 1.00 0.26 N ATOM 112 CA VAL A 7 5.064 0.849 -2.894 1.00 0.26 C ATOM 113 C VAL A 7 3.639 0.420 -2.572 1.00 0.30 C ATOM 114 O VAL A 7 3.418 -0.611 -1.937 1.00 0.39 O ATOM 115 CB VAL A 7 5.678 -0.123 -3.929 1.00 0.32 C ATOM 116 CG1 VAL A 7 6.209 0.647 -5.135 1.00 0.81 C ATOM 117 CG2 VAL A 7 6.783 -0.967 -3.298 1.00 0.74 C ATOM 0 H VAL A 7 5.852 0.092 -1.103 1.00 0.26 H new ATOM 0 HA VAL A 7 5.048 1.847 -3.331 1.00 0.26 H new ATOM 0 HB VAL A 7 4.893 -0.798 -4.269 1.00 0.32 H new ATOM 0 HG11 VAL A 7 6.637 -0.052 -5.853 1.00 0.81 H new ATOM 0 HG12 VAL A 7 5.392 1.195 -5.605 1.00 0.81 H new ATOM 0 HG13 VAL A 7 6.977 1.349 -4.809 1.00 0.81 H new ATOM 0 HG21 VAL A 7 7.198 -1.642 -4.047 1.00 0.74 H new ATOM 0 HG22 VAL A 7 7.570 -0.314 -2.922 1.00 0.74 H new ATOM 0 HG23 VAL A 7 6.371 -1.549 -2.474 1.00 0.74 H new ATOM 127 N VAL A 8 2.676 1.224 -2.996 1.00 0.28 N ATOM 128 CA VAL A 8 1.272 0.927 -2.747 1.00 0.33 C ATOM 129 C VAL A 8 0.671 0.203 -3.950 1.00 0.37 C ATOM 130 O VAL A 8 0.649 0.730 -5.061 1.00 0.41 O ATOM 131 CB VAL A 8 0.459 2.207 -2.463 1.00 0.37 C ATOM 132 CG1 VAL A 8 -0.978 1.857 -2.110 1.00 0.44 C ATOM 133 CG2 VAL A 8 1.100 3.012 -1.343 1.00 0.37 C ATOM 0 H VAL A 8 2.840 2.087 -3.514 1.00 0.28 H new ATOM 0 HA VAL A 8 1.222 0.289 -1.864 1.00 0.33 H new ATOM 0 HB VAL A 8 0.455 2.818 -3.366 1.00 0.37 H new ATOM 0 HG11 VAL A 8 -1.537 2.772 -1.913 1.00 0.44 H new ATOM 0 HG12 VAL A 8 -1.437 1.323 -2.942 1.00 0.44 H new ATOM 0 HG13 VAL A 8 -0.991 1.225 -1.222 1.00 0.44 H new ATOM 0 HG21 VAL A 8 0.512 3.911 -1.158 1.00 0.37 H new ATOM 0 HG22 VAL A 8 1.136 2.409 -0.436 1.00 0.37 H new ATOM 0 HG23 VAL A 8 2.113 3.294 -1.631 1.00 0.37 H new ATOM 143 N VAL A 9 0.186 -1.005 -3.725 1.00 0.40 N ATOM 144 CA VAL A 9 -0.406 -1.799 -4.792 1.00 0.46 C ATOM 145 C VAL A 9 -1.899 -1.974 -4.569 1.00 0.52 C ATOM 146 O VAL A 9 -2.387 -1.879 -3.441 1.00 0.70 O ATOM 147 CB VAL A 9 0.276 -3.182 -4.917 1.00 0.49 C ATOM 148 CG1 VAL A 9 1.676 -3.031 -5.505 1.00 0.51 C ATOM 149 CG2 VAL A 9 0.330 -3.886 -3.563 1.00 0.59 C ATOM 0 H VAL A 9 0.190 -1.460 -2.812 1.00 0.40 H new ATOM 0 HA VAL A 9 -0.248 -1.258 -5.725 1.00 0.46 H new ATOM 0 HB VAL A 9 -0.318 -3.799 -5.592 1.00 0.49 H new ATOM 0 HG11 VAL A 9 2.144 -4.012 -5.587 1.00 0.51 H new ATOM 0 HG12 VAL A 9 1.608 -2.577 -6.494 1.00 0.51 H new ATOM 0 HG13 VAL A 9 2.277 -2.396 -4.855 1.00 0.51 H new ATOM 0 HG21 VAL A 9 0.814 -4.856 -3.676 1.00 0.59 H new ATOM 0 HG22 VAL A 9 0.898 -3.278 -2.859 1.00 0.59 H new ATOM 0 HG23 VAL A 9 -0.683 -4.027 -3.186 1.00 0.59 H new ATOM 159 N GLY A 10 -2.626 -2.204 -5.649 1.00 0.44 N ATOM 160 CA GLY A 10 -4.054 -2.379 -5.541 1.00 0.51 C ATOM 161 C GLY A 10 -4.766 -2.169 -6.861 1.00 0.51 C ATOM 162 O GLY A 10 -4.123 -1.953 -7.891 1.00 0.53 O ATOM 0 H GLY A 10 -2.253 -2.272 -6.596 1.00 0.44 H new ATOM 0 HA2 GLY A 10 -4.267 -3.383 -5.173 1.00 0.51 H new ATOM 0 HA3 GLY A 10 -4.448 -1.679 -4.804 1.00 0.51 H new ATOM 166 N ALA A 11 -6.088 -2.235 -6.822 1.00 0.52 N ATOM 167 CA ALA A 11 -6.908 -2.054 -8.011 1.00 0.53 C ATOM 168 C ALA A 11 -7.080 -0.576 -8.340 1.00 0.50 C ATOM 169 O ALA A 11 -6.866 0.294 -7.494 1.00 0.50 O ATOM 170 CB ALA A 11 -8.265 -2.717 -7.818 1.00 0.58 C ATOM 0 H ALA A 11 -6.621 -2.414 -5.971 1.00 0.52 H new ATOM 0 HA ALA A 11 -6.399 -2.527 -8.851 1.00 0.53 H new ATOM 0 HB1 ALA A 11 -8.870 -2.575 -8.714 1.00 0.58 H new ATOM 0 HB2 ALA A 11 -8.127 -3.783 -7.639 1.00 0.58 H new ATOM 0 HB3 ALA A 11 -8.771 -2.268 -6.963 1.00 0.58 H new ATOM 176 N GLY A 12 -7.467 -0.295 -9.568 1.00 0.55 N ATOM 177 CA GLY A 12 -7.658 1.071 -9.986 1.00 0.54 C ATOM 178 C GLY A 12 -8.966 1.643 -9.480 1.00 0.54 C ATOM 179 O GLY A 12 -10.041 1.242 -9.926 1.00 0.80 O ATOM 0 H GLY A 12 -7.654 -0.993 -10.288 1.00 0.55 H new ATOM 0 HA2 GLY A 12 -6.831 1.680 -9.622 1.00 0.54 H new ATOM 0 HA3 GLY A 12 -7.637 1.123 -11.075 1.00 0.54 H new ATOM 183 N GLY A 13 -8.875 2.562 -8.526 1.00 0.34 N ATOM 184 CA GLY A 13 -10.067 3.187 -7.988 1.00 0.40 C ATOM 185 C GLY A 13 -10.273 2.918 -6.509 1.00 0.40 C ATOM 186 O GLY A 13 -11.203 3.454 -5.906 1.00 0.42 O ATOM 0 H GLY A 13 -7.998 2.885 -8.116 1.00 0.34 H new ATOM 0 HA2 GLY A 13 -10.008 4.263 -8.149 1.00 0.40 H new ATOM 0 HA3 GLY A 13 -10.936 2.829 -8.539 1.00 0.40 H new ATOM 190 N VAL A 14 -9.397 2.119 -5.906 1.00 0.39 N ATOM 191 CA VAL A 14 -9.533 1.793 -4.488 1.00 0.41 C ATOM 192 C VAL A 14 -9.174 2.996 -3.626 1.00 0.44 C ATOM 193 O VAL A 14 -9.688 3.154 -2.519 1.00 0.57 O ATOM 194 CB VAL A 14 -8.681 0.570 -4.067 1.00 0.42 C ATOM 195 CG1 VAL A 14 -9.271 -0.712 -4.634 1.00 0.41 C ATOM 196 CG2 VAL A 14 -7.233 0.732 -4.500 1.00 0.43 C ATOM 0 H VAL A 14 -8.596 1.690 -6.369 1.00 0.39 H new ATOM 0 HA VAL A 14 -10.578 1.527 -4.330 1.00 0.41 H new ATOM 0 HB VAL A 14 -8.698 0.508 -2.979 1.00 0.42 H new ATOM 0 HG11 VAL A 14 -8.659 -1.561 -4.328 1.00 0.41 H new ATOM 0 HG12 VAL A 14 -10.286 -0.842 -4.259 1.00 0.41 H new ATOM 0 HG13 VAL A 14 -9.291 -0.653 -5.722 1.00 0.41 H new ATOM 0 HG21 VAL A 14 -6.661 -0.142 -4.190 1.00 0.43 H new ATOM 0 HG22 VAL A 14 -7.186 0.831 -5.585 1.00 0.43 H new ATOM 0 HG23 VAL A 14 -6.812 1.624 -4.036 1.00 0.43 H new ATOM 206 N GLY A 15 -8.301 3.855 -4.144 1.00 0.39 N ATOM 207 CA GLY A 15 -7.927 5.045 -3.407 1.00 0.42 C ATOM 208 C GLY A 15 -6.479 5.069 -2.963 1.00 0.43 C ATOM 209 O GLY A 15 -6.143 5.752 -1.999 1.00 0.49 O ATOM 0 H GLY A 15 -7.850 3.749 -5.053 1.00 0.39 H new ATOM 0 HA2 GLY A 15 -8.120 5.920 -4.028 1.00 0.42 H new ATOM 0 HA3 GLY A 15 -8.567 5.131 -2.529 1.00 0.42 H new ATOM 213 N LYS A 16 -5.617 4.351 -3.677 1.00 0.41 N ATOM 214 CA LYS A 16 -4.193 4.301 -3.340 1.00 0.45 C ATOM 215 C LYS A 16 -3.597 5.708 -3.278 1.00 0.47 C ATOM 216 O LYS A 16 -3.038 6.119 -2.256 1.00 0.58 O ATOM 217 CB LYS A 16 -3.413 3.480 -4.373 1.00 0.46 C ATOM 218 CG LYS A 16 -4.098 2.194 -4.806 1.00 0.65 C ATOM 219 CD LYS A 16 -3.115 1.233 -5.461 1.00 0.79 C ATOM 220 CE LYS A 16 -2.290 1.914 -6.545 1.00 0.78 C ATOM 221 NZ LYS A 16 -1.310 0.987 -7.168 1.00 0.81 N ATOM 0 H LYS A 16 -5.877 3.796 -4.492 1.00 0.41 H new ATOM 0 HA LYS A 16 -4.109 3.827 -2.362 1.00 0.45 H new ATOM 0 HB2 LYS A 16 -3.240 4.098 -5.254 1.00 0.46 H new ATOM 0 HB3 LYS A 16 -2.435 3.234 -3.959 1.00 0.46 H new ATOM 0 HG2 LYS A 16 -4.556 1.715 -3.941 1.00 0.65 H new ATOM 0 HG3 LYS A 16 -4.902 2.426 -5.504 1.00 0.65 H new ATOM 0 HD2 LYS A 16 -2.449 0.822 -4.702 1.00 0.79 H new ATOM 0 HD3 LYS A 16 -3.661 0.394 -5.893 1.00 0.79 H new ATOM 0 HE2 LYS A 16 -2.956 2.307 -7.313 1.00 0.78 H new ATOM 0 HE3 LYS A 16 -1.761 2.765 -6.116 1.00 0.78 H new ATOM 0 HZ1 LYS A 16 -0.345 1.327 -6.983 1.00 0.81 H new ATOM 0 HZ2 LYS A 16 -1.426 0.036 -6.763 1.00 0.81 H new ATOM 0 HZ3 LYS A 16 -1.472 0.949 -8.195 1.00 0.81 H new ATOM 235 N SER A 17 -3.756 6.441 -4.378 1.00 0.40 N ATOM 236 CA SER A 17 -3.231 7.796 -4.503 1.00 0.41 C ATOM 237 C SER A 17 -3.812 8.728 -3.440 1.00 0.40 C ATOM 238 O SER A 17 -3.108 9.577 -2.902 1.00 0.58 O ATOM 239 CB SER A 17 -3.524 8.330 -5.912 1.00 0.43 C ATOM 240 OG SER A 17 -3.454 7.274 -6.873 1.00 0.44 O ATOM 0 H SER A 17 -4.252 6.111 -5.206 1.00 0.40 H new ATOM 0 HA SER A 17 -2.153 7.763 -4.345 1.00 0.41 H new ATOM 0 HB2 SER A 17 -4.514 8.786 -5.936 1.00 0.43 H new ATOM 0 HB3 SER A 17 -2.807 9.110 -6.168 1.00 0.43 H new ATOM 246 N ALA A 18 -5.084 8.531 -3.109 1.00 0.41 N ATOM 247 CA ALA A 18 -5.747 9.366 -2.116 1.00 0.40 C ATOM 248 C ALA A 18 -5.114 9.185 -0.741 1.00 0.41 C ATOM 249 O ALA A 18 -4.872 10.157 -0.025 1.00 0.43 O ATOM 250 CB ALA A 18 -7.233 9.049 -2.062 1.00 0.43 C ATOM 0 H ALA A 18 -5.674 7.803 -3.513 1.00 0.41 H new ATOM 0 HA ALA A 18 -5.623 10.408 -2.412 1.00 0.40 H new ATOM 0 HB1 ALA A 18 -7.713 9.681 -1.315 1.00 0.43 H new ATOM 0 HB2 ALA A 18 -7.681 9.236 -3.038 1.00 0.43 H new ATOM 0 HB3 ALA A 18 -7.372 8.002 -1.794 1.00 0.43 H new ATOM 256 N LEU A 19 -4.827 7.939 -0.387 1.00 0.44 N ATOM 257 CA LEU A 19 -4.215 7.629 0.896 1.00 0.50 C ATOM 258 C LEU A 19 -2.798 8.183 0.968 1.00 0.48 C ATOM 259 O LEU A 19 -2.383 8.729 1.987 1.00 0.51 O ATOM 260 CB LEU A 19 -4.189 6.116 1.113 1.00 0.60 C ATOM 261 CG LEU A 19 -5.545 5.484 1.425 1.00 0.76 C ATOM 262 CD1 LEU A 19 -5.533 4.002 1.101 1.00 0.92 C ATOM 263 CD2 LEU A 19 -5.902 5.692 2.885 1.00 0.79 C ATOM 0 H LEU A 19 -5.010 7.125 -0.974 1.00 0.44 H new ATOM 0 HA LEU A 19 -4.811 8.096 1.680 1.00 0.50 H new ATOM 0 HB2 LEU A 19 -3.782 5.643 0.219 1.00 0.60 H new ATOM 0 HB3 LEU A 19 -3.504 5.893 1.932 1.00 0.60 H new ATOM 0 HG LEU A 19 -6.298 5.970 0.804 1.00 0.76 H new ATOM 0 HD11 LEU A 19 -6.508 3.571 1.330 1.00 0.92 H new ATOM 0 HD12 LEU A 19 -5.315 3.863 0.042 1.00 0.92 H new ATOM 0 HD13 LEU A 19 -4.768 3.505 1.697 1.00 0.92 H new ATOM 0 HD21 LEU A 19 -6.870 5.236 3.091 1.00 0.79 H new ATOM 0 HD22 LEU A 19 -5.142 5.230 3.515 1.00 0.79 H new ATOM 0 HD23 LEU A 19 -5.951 6.760 3.099 1.00 0.79 H new ATOM 275 N THR A 20 -2.069 8.049 -0.128 1.00 0.49 N ATOM 276 CA THR A 20 -0.694 8.522 -0.198 1.00 0.54 C ATOM 277 C THR A 20 -0.617 10.053 -0.165 1.00 0.49 C ATOM 278 O THR A 20 0.177 10.624 0.584 1.00 0.50 O ATOM 279 CB THR A 20 -0.002 8.000 -1.467 1.00 0.64 C ATOM 280 OG1 THR A 20 -0.221 6.591 -1.579 1.00 0.89 O ATOM 281 CG2 THR A 20 1.491 8.283 -1.436 1.00 0.74 C ATOM 0 H THR A 20 -2.408 7.614 -0.986 1.00 0.49 H new ATOM 0 HA THR A 20 -0.178 8.134 0.680 1.00 0.54 H new ATOM 0 HB THR A 20 -0.427 8.515 -2.328 1.00 0.64 H new ATOM 0 HG1 THR A 20 -1.139 6.426 -1.881 1.00 0.89 H new ATOM 0 HG21 THR A 20 1.953 7.902 -2.347 1.00 0.74 H new ATOM 0 HG22 THR A 20 1.656 9.358 -1.368 1.00 0.74 H new ATOM 0 HG23 THR A 20 1.937 7.792 -0.571 1.00 0.74 H new ATOM 289 N ILE A 21 -1.459 10.714 -0.955 1.00 0.48 N ATOM 290 CA ILE A 21 -1.462 12.173 -1.013 1.00 0.50 C ATOM 291 C ILE A 21 -1.915 12.774 0.320 1.00 0.43 C ATOM 292 O ILE A 21 -1.551 13.902 0.658 1.00 0.43 O ATOM 293 CB ILE A 21 -2.354 12.699 -2.166 1.00 0.59 C ATOM 294 CG1 ILE A 21 -1.802 12.230 -3.516 1.00 0.63 C ATOM 295 CG2 ILE A 21 -2.448 14.223 -2.142 1.00 0.79 C ATOM 296 CD1 ILE A 21 -2.660 12.628 -4.701 1.00 0.76 C ATOM 0 H ILE A 21 -2.145 10.265 -1.561 1.00 0.48 H new ATOM 0 HA ILE A 21 -0.437 12.488 -1.209 1.00 0.50 H new ATOM 0 HB ILE A 21 -3.357 12.295 -2.027 1.00 0.59 H new ATOM 0 HG12 ILE A 21 -0.801 12.640 -3.651 1.00 0.63 H new ATOM 0 HG13 ILE A 21 -1.703 11.145 -3.500 1.00 0.63 H new ATOM 0 HG21 ILE A 21 -3.080 14.562 -2.963 1.00 0.79 H new ATOM 0 HG22 ILE A 21 -2.879 14.546 -1.195 1.00 0.79 H new ATOM 0 HG23 ILE A 21 -1.451 14.651 -2.252 1.00 0.79 H new ATOM 0 HD11 ILE A 21 -2.204 12.260 -5.620 1.00 0.76 H new ATOM 0 HD12 ILE A 21 -3.655 12.196 -4.591 1.00 0.76 H new ATOM 0 HD13 ILE A 21 -2.739 13.714 -4.744 1.00 0.76 H new ATOM 308 N GLN A 22 -2.683 12.009 1.084 1.00 0.41 N ATOM 309 CA GLN A 22 -3.159 12.470 2.379 1.00 0.37 C ATOM 310 C GLN A 22 -1.992 12.759 3.321 1.00 0.37 C ATOM 311 O GLN A 22 -2.040 13.694 4.110 1.00 0.46 O ATOM 312 CB GLN A 22 -4.091 11.438 3.011 1.00 0.40 C ATOM 313 CG GLN A 22 -5.566 11.719 2.766 1.00 0.43 C ATOM 314 CD GLN A 22 -6.072 12.939 3.516 1.00 0.36 C ATOM 315 OE1 GLN A 22 -5.322 13.867 3.804 1.00 0.35 O ATOM 316 NE2 GLN A 22 -7.354 12.944 3.835 1.00 0.41 N ATOM 0 H GLN A 22 -2.988 11.070 0.830 1.00 0.41 H new ATOM 0 HA GLN A 22 -3.713 13.395 2.217 1.00 0.37 H new ATOM 0 HB2 GLN A 22 -3.847 10.451 2.617 1.00 0.40 H new ATOM 0 HB3 GLN A 22 -3.909 11.406 4.085 1.00 0.40 H new ATOM 0 HG2 GLN A 22 -5.730 11.862 1.698 1.00 0.43 H new ATOM 0 HG3 GLN A 22 -6.150 10.848 3.064 1.00 0.43 H new ATOM 0 HE21 GLN A 22 -7.946 12.154 3.579 1.00 0.41 H new ATOM 0 HE22 GLN A 22 -7.751 13.738 4.338 1.00 0.41 H new ATOM 325 N LEU A 23 -0.934 11.969 3.224 1.00 0.41 N ATOM 326 CA LEU A 23 0.231 12.167 4.079 1.00 0.44 C ATOM 327 C LEU A 23 1.178 13.215 3.489 1.00 0.40 C ATOM 328 O LEU A 23 2.055 13.735 4.179 1.00 0.49 O ATOM 329 CB LEU A 23 0.980 10.846 4.280 1.00 0.54 C ATOM 330 CG LEU A 23 0.702 10.131 5.604 1.00 1.06 C ATOM 331 CD1 LEU A 23 -0.707 9.549 5.624 1.00 1.37 C ATOM 332 CD2 LEU A 23 1.734 9.039 5.843 1.00 1.25 C ATOM 0 H LEU A 23 -0.856 11.191 2.569 1.00 0.41 H new ATOM 0 HA LEU A 23 -0.124 12.527 5.045 1.00 0.44 H new ATOM 0 HB2 LEU A 23 0.722 10.173 3.462 1.00 0.54 H new ATOM 0 HB3 LEU A 23 2.050 11.040 4.209 1.00 0.54 H new ATOM 0 HG LEU A 23 0.776 10.863 6.408 1.00 1.06 H new ATOM 0 HD11 LEU A 23 -0.879 9.046 6.576 1.00 1.37 H new ATOM 0 HD12 LEU A 23 -1.434 10.352 5.501 1.00 1.37 H new ATOM 0 HD13 LEU A 23 -0.816 8.832 4.810 1.00 1.37 H new ATOM 0 HD21 LEU A 23 1.523 8.540 6.789 1.00 1.25 H new ATOM 0 HD22 LEU A 23 1.690 8.313 5.031 1.00 1.25 H new ATOM 0 HD23 LEU A 23 2.730 9.481 5.881 1.00 1.25 H new ATOM 344 N ILE A 24 0.992 13.528 2.219 1.00 0.37 N ATOM 345 CA ILE A 24 1.852 14.493 1.542 1.00 0.39 C ATOM 346 C ILE A 24 1.256 15.899 1.545 1.00 0.46 C ATOM 347 O ILE A 24 1.887 16.843 2.019 1.00 0.58 O ATOM 348 CB ILE A 24 2.139 14.069 0.086 1.00 0.40 C ATOM 349 CG1 ILE A 24 2.703 12.642 0.043 1.00 0.39 C ATOM 350 CG2 ILE A 24 3.097 15.055 -0.581 1.00 0.47 C ATOM 351 CD1 ILE A 24 4.022 12.481 0.770 1.00 0.37 C ATOM 0 H ILE A 24 0.257 13.132 1.634 1.00 0.37 H new ATOM 0 HA ILE A 24 2.786 14.511 2.104 1.00 0.39 H new ATOM 0 HB ILE A 24 1.201 14.080 -0.469 1.00 0.40 H new ATOM 0 HG12 ILE A 24 1.973 11.960 0.480 1.00 0.39 H new ATOM 0 HG13 ILE A 24 2.834 12.345 -0.997 1.00 0.39 H new ATOM 0 HG21 ILE A 24 3.288 14.740 -1.607 1.00 0.47 H new ATOM 0 HG22 ILE A 24 2.651 16.050 -0.584 1.00 0.47 H new ATOM 0 HG23 ILE A 24 4.036 15.080 -0.029 1.00 0.47 H new ATOM 0 HD11 ILE A 24 4.355 11.446 0.695 1.00 0.37 H new ATOM 0 HD12 ILE A 24 4.768 13.136 0.320 1.00 0.37 H new ATOM 0 HD13 ILE A 24 3.894 12.745 1.820 1.00 0.37 H new ATOM 363 N GLN A 25 0.044 16.038 1.021 1.00 0.46 N ATOM 364 CA GLN A 25 -0.607 17.345 0.946 1.00 0.55 C ATOM 365 C GLN A 25 -1.553 17.576 2.122 1.00 0.50 C ATOM 366 O GLN A 25 -2.056 18.681 2.314 1.00 0.58 O ATOM 367 CB GLN A 25 -1.361 17.490 -0.377 1.00 0.65 C ATOM 368 CG GLN A 25 -0.449 17.563 -1.593 1.00 0.82 C ATOM 369 CD GLN A 25 -1.103 18.270 -2.767 1.00 1.04 C ATOM 370 OE1 GLN A 25 -1.047 19.493 -2.873 1.00 1.68 O ATOM 371 NE2 GLN A 25 -1.722 17.511 -3.661 1.00 1.38 N ATOM 0 H GLN A 25 -0.507 15.268 0.643 1.00 0.46 H new ATOM 0 HA GLN A 25 0.174 18.103 0.997 1.00 0.55 H new ATOM 0 HB2 GLN A 25 -2.040 16.645 -0.493 1.00 0.65 H new ATOM 0 HB3 GLN A 25 -1.975 18.390 -0.339 1.00 0.65 H new ATOM 0 HG2 GLN A 25 0.469 18.085 -1.324 1.00 0.82 H new ATOM 0 HG3 GLN A 25 -0.166 16.554 -1.892 1.00 0.82 H new ATOM 0 HE21 GLN A 25 -1.748 16.499 -3.540 1.00 1.38 H new ATOM 0 HE22 GLN A 25 -2.172 17.940 -4.470 1.00 1.38 H new ATOM 380 N ASN A 26 -1.799 16.517 2.883 1.00 0.44 N ATOM 381 CA ASN A 26 -2.664 16.571 4.065 1.00 0.49 C ATOM 382 C ASN A 26 -4.092 17.006 3.733 1.00 0.46 C ATOM 383 O ASN A 26 -4.732 17.714 4.510 1.00 0.58 O ATOM 384 CB ASN A 26 -2.061 17.485 5.141 1.00 0.61 C ATOM 385 CG ASN A 26 -1.135 16.731 6.076 1.00 1.02 C ATOM 386 OD1 ASN A 26 -1.381 15.573 6.417 1.00 1.40 O ATOM 387 ND2 ASN A 26 -0.062 17.379 6.498 1.00 1.60 N ATOM 0 H ASN A 26 -1.406 15.593 2.702 1.00 0.44 H new ATOM 0 HA ASN A 26 -2.723 15.555 4.454 1.00 0.49 H new ATOM 0 HB2 ASN A 26 -1.511 18.295 4.662 1.00 0.61 H new ATOM 0 HB3 ASN A 26 -2.864 17.943 5.718 1.00 0.61 H new ATOM 0 HD21 ASN A 26 0.596 16.920 7.128 1.00 1.60 H new ATOM 0 HD22 ASN A 26 0.108 18.338 6.193 1.00 1.60 H new ATOM 394 N HIS A 27 -4.583 16.573 2.582 1.00 0.41 N ATOM 395 CA HIS A 27 -5.945 16.886 2.158 1.00 0.44 C ATOM 396 C HIS A 27 -6.448 15.804 1.208 1.00 0.43 C ATOM 397 O HIS A 27 -5.714 15.350 0.327 1.00 0.46 O ATOM 398 CB HIS A 27 -6.042 18.299 1.525 1.00 0.51 C ATOM 399 CG HIS A 27 -5.960 18.340 0.023 1.00 0.55 C ATOM 400 ND1 HIS A 27 -7.059 18.183 -0.799 1.00 0.61 N ATOM 401 CD2 HIS A 27 -4.902 18.527 -0.802 1.00 0.67 C ATOM 402 CE1 HIS A 27 -6.678 18.259 -2.060 1.00 0.69 C ATOM 403 NE2 HIS A 27 -5.377 18.470 -2.088 1.00 0.74 N ATOM 0 H HIS A 27 -4.058 16.001 1.920 1.00 0.41 H new ATOM 0 HA HIS A 27 -6.587 16.901 3.038 1.00 0.44 H new ATOM 0 HB2 HIS A 27 -6.984 18.753 1.833 1.00 0.51 H new ATOM 0 HB3 HIS A 27 -5.242 18.917 1.933 1.00 0.51 H new ATOM 0 HD2 HIS A 27 -3.877 18.690 -0.504 1.00 0.67 H new ATOM 0 HE1 HIS A 27 -7.322 18.164 -2.922 1.00 0.69 H new ATOM 0 HE2 HIS A 27 -4.813 18.574 -2.932 1.00 0.74 H new ATOM 412 N PHE A 28 -7.687 15.382 1.410 1.00 0.44 N ATOM 413 CA PHE A 28 -8.291 14.344 0.587 1.00 0.45 C ATOM 414 C PHE A 28 -8.575 14.858 -0.822 1.00 0.45 C ATOM 415 O PHE A 28 -9.239 15.881 -0.996 1.00 0.52 O ATOM 416 CB PHE A 28 -9.587 13.848 1.238 1.00 0.52 C ATOM 417 CG PHE A 28 -10.369 12.878 0.390 1.00 0.47 C ATOM 418 CD1 PHE A 28 -9.912 11.585 0.185 1.00 0.48 C ATOM 419 CD2 PHE A 28 -11.567 13.260 -0.194 1.00 0.60 C ATOM 420 CE1 PHE A 28 -10.634 10.692 -0.584 1.00 0.49 C ATOM 421 CE2 PHE A 28 -12.292 12.371 -0.967 1.00 0.60 C ATOM 422 CZ PHE A 28 -11.826 11.085 -1.162 1.00 0.48 C ATOM 0 H PHE A 28 -8.298 15.745 2.142 1.00 0.44 H new ATOM 0 HA PHE A 28 -7.587 13.515 0.511 1.00 0.45 H new ATOM 0 HB2 PHE A 28 -9.345 13.371 2.187 1.00 0.52 H new ATOM 0 HB3 PHE A 28 -10.219 14.707 1.465 1.00 0.52 H new ATOM 0 HD1 PHE A 28 -8.980 11.272 0.632 1.00 0.48 H new ATOM 0 HD2 PHE A 28 -11.938 14.263 -0.044 1.00 0.60 H new ATOM 0 HE1 PHE A 28 -10.267 9.687 -0.733 1.00 0.49 H new ATOM 0 HE2 PHE A 28 -13.223 12.682 -1.418 1.00 0.60 H new ATOM 0 HZ PHE A 28 -12.391 10.389 -1.764 1.00 0.48 H new ATOM 432 N VAL A 29 -8.059 14.154 -1.817 1.00 0.46 N ATOM 433 CA VAL A 29 -8.273 14.522 -3.208 1.00 0.49 C ATOM 434 C VAL A 29 -9.525 13.820 -3.722 1.00 0.52 C ATOM 435 O VAL A 29 -9.551 12.592 -3.836 1.00 0.61 O ATOM 436 CB VAL A 29 -7.064 14.142 -4.088 1.00 0.53 C ATOM 437 CG1 VAL A 29 -7.251 14.654 -5.506 1.00 0.55 C ATOM 438 CG2 VAL A 29 -5.775 14.681 -3.485 1.00 0.64 C ATOM 0 H VAL A 29 -7.486 13.320 -1.686 1.00 0.46 H new ATOM 0 HA VAL A 29 -8.396 15.604 -3.263 1.00 0.49 H new ATOM 0 HB VAL A 29 -6.995 13.055 -4.127 1.00 0.53 H new ATOM 0 HG11 VAL A 29 -6.388 14.376 -6.110 1.00 0.55 H new ATOM 0 HG12 VAL A 29 -8.151 14.215 -5.936 1.00 0.55 H new ATOM 0 HG13 VAL A 29 -7.348 15.740 -5.491 1.00 0.55 H new ATOM 0 HG21 VAL A 29 -4.933 14.403 -4.119 1.00 0.64 H new ATOM 0 HG22 VAL A 29 -5.833 15.767 -3.414 1.00 0.64 H new ATOM 0 HG23 VAL A 29 -5.635 14.259 -2.490 1.00 0.64 H new ATOM 448 N ASP A 30 -10.560 14.599 -4.019 1.00 0.55 N ATOM 449 CA ASP A 30 -11.830 14.048 -4.485 1.00 0.63 C ATOM 450 C ASP A 30 -11.742 13.592 -5.935 1.00 0.60 C ATOM 451 O ASP A 30 -12.334 12.583 -6.314 1.00 0.72 O ATOM 452 CB ASP A 30 -12.953 15.076 -4.327 1.00 0.75 C ATOM 453 CG ASP A 30 -14.326 14.465 -4.536 1.00 0.93 C ATOM 454 OD1 ASP A 30 -14.838 14.504 -5.677 1.00 1.12 O ATOM 455 OD2 ASP A 30 -14.902 13.940 -3.556 1.00 0.99 O ATOM 0 H ASP A 30 -10.545 15.616 -3.945 1.00 0.55 H new ATOM 0 HA ASP A 30 -12.055 13.177 -3.869 1.00 0.63 H new ATOM 0 HB2 ASP A 30 -12.902 15.517 -3.331 1.00 0.75 H new ATOM 0 HB3 ASP A 30 -12.805 15.885 -5.042 1.00 0.75 H new ATOM 460 N GLU A 31 -11.003 14.334 -6.745 1.00 0.54 N ATOM 461 CA GLU A 31 -10.844 13.985 -8.146 1.00 0.59 C ATOM 462 C GLU A 31 -9.367 13.857 -8.498 1.00 0.53 C ATOM 463 O GLU A 31 -8.622 14.837 -8.456 1.00 0.53 O ATOM 464 CB GLU A 31 -11.503 15.034 -9.043 1.00 0.69 C ATOM 465 CG GLU A 31 -11.679 14.583 -10.487 1.00 0.83 C ATOM 466 CD GLU A 31 -12.508 13.320 -10.610 1.00 0.99 C ATOM 467 OE1 GLU A 31 -11.930 12.244 -10.879 1.00 1.18 O ATOM 468 OE2 GLU A 31 -13.744 13.396 -10.438 1.00 1.16 O ATOM 0 H GLU A 31 -10.507 15.177 -6.457 1.00 0.54 H new ATOM 0 HA GLU A 31 -11.333 13.025 -8.314 1.00 0.59 H new ATOM 0 HB2 GLU A 31 -12.479 15.290 -8.630 1.00 0.69 H new ATOM 0 HB3 GLU A 31 -10.901 15.943 -9.026 1.00 0.69 H new ATOM 0 HG2 GLU A 31 -12.154 15.381 -11.057 1.00 0.83 H new ATOM 0 HG3 GLU A 31 -10.699 14.414 -10.932 1.00 0.83 H new ATOM 475 N TYR A 32 -8.947 12.648 -8.839 1.00 0.50 N ATOM 476 CA TYR A 32 -7.562 12.399 -9.201 1.00 0.46 C ATOM 477 C TYR A 32 -7.483 11.361 -10.310 1.00 0.44 C ATOM 478 O TYR A 32 -8.095 10.290 -10.217 1.00 0.48 O ATOM 479 CB TYR A 32 -6.754 11.930 -7.987 1.00 0.46 C ATOM 480 CG TYR A 32 -5.257 12.069 -8.158 1.00 0.46 C ATOM 481 CD1 TYR A 32 -4.651 13.320 -8.122 1.00 0.51 C ATOM 482 CD2 TYR A 32 -4.450 10.956 -8.354 1.00 0.46 C ATOM 483 CE1 TYR A 32 -3.287 13.455 -8.279 1.00 0.55 C ATOM 484 CE2 TYR A 32 -3.085 11.086 -8.510 1.00 0.50 C ATOM 485 CZ TYR A 32 -2.509 12.335 -8.474 1.00 0.54 C ATOM 486 OH TYR A 32 -1.153 12.464 -8.632 1.00 0.60 O ATOM 0 H TYR A 32 -9.547 11.824 -8.872 1.00 0.50 H new ATOM 0 HA TYR A 32 -7.134 13.335 -9.559 1.00 0.46 H new ATOM 0 HB2 TYR A 32 -7.065 12.502 -7.113 1.00 0.46 H new ATOM 0 HB3 TYR A 32 -6.992 10.885 -7.786 1.00 0.46 H new ATOM 0 HD1 TYR A 32 -5.258 14.200 -7.969 1.00 0.51 H new ATOM 0 HD2 TYR A 32 -4.898 9.974 -8.385 1.00 0.46 H new ATOM 0 HE1 TYR A 32 -2.831 14.434 -8.249 1.00 0.55 H new ATOM 0 HE2 TYR A 32 -2.471 10.210 -8.660 1.00 0.50 H new ATOM 0 HH TYR A 32 -0.712 12.371 -7.762 1.00 0.60 H new ATOM 496 N ASP A 33 -6.727 11.691 -11.349 1.00 0.43 N ATOM 497 CA ASP A 33 -6.542 10.812 -12.500 1.00 0.42 C ATOM 498 C ASP A 33 -5.805 9.538 -12.091 1.00 0.39 C ATOM 499 O ASP A 33 -4.722 9.595 -11.493 1.00 0.42 O ATOM 500 CB ASP A 33 -5.767 11.558 -13.590 1.00 0.50 C ATOM 501 CG ASP A 33 -5.771 10.867 -14.941 1.00 0.55 C ATOM 502 OD1 ASP A 33 -5.822 9.619 -14.995 1.00 0.80 O ATOM 503 OD2 ASP A 33 -5.711 11.581 -15.966 1.00 0.60 O ATOM 0 H ASP A 33 -6.224 12.576 -11.419 1.00 0.43 H new ATOM 0 HA ASP A 33 -7.518 10.523 -12.890 1.00 0.42 H new ATOM 0 HB2 ASP A 33 -6.191 12.556 -13.704 1.00 0.50 H new ATOM 0 HB3 ASP A 33 -4.735 11.686 -13.263 1.00 0.50 H new ATOM 508 N PRO A 34 -6.394 8.367 -12.396 1.00 0.38 N ATOM 509 CA PRO A 34 -5.809 7.070 -12.055 1.00 0.41 C ATOM 510 C PRO A 34 -4.590 6.707 -12.907 1.00 0.42 C ATOM 511 O PRO A 34 -3.798 5.852 -12.517 1.00 0.52 O ATOM 512 CB PRO A 34 -6.949 6.083 -12.313 1.00 0.50 C ATOM 513 CG PRO A 34 -7.812 6.737 -13.326 1.00 0.49 C ATOM 514 CD PRO A 34 -7.694 8.219 -13.091 1.00 0.42 C ATOM 0 HA PRO A 34 -5.436 7.066 -11.031 1.00 0.41 H new ATOM 0 HB2 PRO A 34 -6.568 5.129 -12.678 1.00 0.50 H new ATOM 0 HB3 PRO A 34 -7.504 5.876 -11.398 1.00 0.50 H new ATOM 0 HG2 PRO A 34 -7.492 6.477 -14.335 1.00 0.49 H new ATOM 0 HG3 PRO A 34 -8.847 6.409 -13.225 1.00 0.49 H new ATOM 0 HD2 PRO A 34 -7.711 8.775 -14.028 1.00 0.42 H new ATOM 0 HD3 PRO A 34 -8.517 8.594 -12.483 1.00 0.42 H new ATOM 522 N THR A 35 -4.424 7.363 -14.056 1.00 0.37 N ATOM 523 CA THR A 35 -3.292 7.070 -14.934 1.00 0.42 C ATOM 524 C THR A 35 -2.039 7.838 -14.512 1.00 0.40 C ATOM 525 O THR A 35 -0.991 7.731 -15.148 1.00 0.41 O ATOM 526 CB THR A 35 -3.604 7.371 -16.416 1.00 0.52 C ATOM 527 OG1 THR A 35 -4.019 8.736 -16.579 1.00 0.74 O ATOM 528 CG2 THR A 35 -4.681 6.431 -16.943 1.00 0.89 C ATOM 0 H THR A 35 -5.051 8.092 -14.397 1.00 0.37 H new ATOM 0 HA THR A 35 -3.105 6.001 -14.835 1.00 0.42 H new ATOM 0 HB THR A 35 -2.692 7.212 -16.991 1.00 0.52 H new ATOM 0 HG1 THR A 35 -4.918 8.852 -16.205 1.00 0.74 H new ATOM 0 HG21 THR A 35 -4.885 6.661 -17.989 1.00 0.89 H new ATOM 0 HG22 THR A 35 -4.337 5.400 -16.859 1.00 0.89 H new ATOM 0 HG23 THR A 35 -5.593 6.558 -16.359 1.00 0.89 H new ATOM 536 N ILE A 36 -2.156 8.627 -13.449 1.00 0.45 N ATOM 537 CA ILE A 36 -1.020 9.380 -12.942 1.00 0.48 C ATOM 538 C ILE A 36 -0.170 8.499 -12.041 1.00 0.47 C ATOM 539 O ILE A 36 -0.665 7.943 -11.054 1.00 0.54 O ATOM 540 CB ILE A 36 -1.446 10.635 -12.156 1.00 0.54 C ATOM 541 CG1 ILE A 36 -2.236 11.584 -13.052 1.00 0.62 C ATOM 542 CG2 ILE A 36 -0.225 11.335 -11.582 1.00 0.65 C ATOM 543 CD1 ILE A 36 -2.794 12.785 -12.319 1.00 0.73 C ATOM 0 H ILE A 36 -3.022 8.760 -12.926 1.00 0.45 H new ATOM 0 HA ILE A 36 -0.446 9.706 -13.810 1.00 0.48 H new ATOM 0 HB ILE A 36 -2.090 10.328 -11.332 1.00 0.54 H new ATOM 0 HG12 ILE A 36 -1.591 11.929 -13.860 1.00 0.62 H new ATOM 0 HG13 ILE A 36 -3.058 11.036 -13.513 1.00 0.62 H new ATOM 0 HG21 ILE A 36 -0.539 12.220 -11.029 1.00 0.65 H new ATOM 0 HG22 ILE A 36 0.302 10.656 -10.911 1.00 0.65 H new ATOM 0 HG23 ILE A 36 0.440 11.631 -12.394 1.00 0.65 H new ATOM 0 HD11 ILE A 36 -3.343 13.415 -13.018 1.00 0.73 H new ATOM 0 HD12 ILE A 36 -3.465 12.449 -11.529 1.00 0.73 H new ATOM 0 HD13 ILE A 36 -1.976 13.357 -11.881 1.00 0.73 H new ATOM 555 N GLU A 37 1.097 8.378 -12.396 1.00 0.49 N ATOM 556 CA GLU A 37 2.044 7.573 -11.648 1.00 0.48 C ATOM 557 C GLU A 37 3.217 8.438 -11.212 1.00 0.50 C ATOM 558 O GLU A 37 3.994 8.908 -12.046 1.00 0.79 O ATOM 559 CB GLU A 37 2.533 6.422 -12.518 1.00 0.51 C ATOM 560 CG GLU A 37 3.307 5.360 -11.763 1.00 0.57 C ATOM 561 CD GLU A 37 3.429 4.087 -12.561 1.00 0.59 C ATOM 562 OE1 GLU A 37 2.664 3.138 -12.289 1.00 0.64 O ATOM 563 OE2 GLU A 37 4.267 4.042 -13.490 1.00 0.81 O ATOM 0 H GLU A 37 1.498 8.837 -13.214 1.00 0.49 H new ATOM 0 HA GLU A 37 1.558 7.165 -10.762 1.00 0.48 H new ATOM 0 HB2 GLU A 37 1.674 5.956 -13.001 1.00 0.51 H new ATOM 0 HB3 GLU A 37 3.165 6.823 -13.310 1.00 0.51 H new ATOM 0 HG2 GLU A 37 4.302 5.736 -11.523 1.00 0.57 H new ATOM 0 HG3 GLU A 37 2.809 5.150 -10.817 1.00 0.57 H new ATOM 570 N ASP A 38 3.341 8.657 -9.913 1.00 0.30 N ATOM 571 CA ASP A 38 4.416 9.490 -9.392 1.00 0.33 C ATOM 572 C ASP A 38 4.917 8.961 -8.056 1.00 0.31 C ATOM 573 O ASP A 38 4.287 8.102 -7.442 1.00 0.34 O ATOM 574 CB ASP A 38 3.947 10.942 -9.233 1.00 0.42 C ATOM 575 CG ASP A 38 5.061 11.941 -9.479 1.00 0.54 C ATOM 576 OD1 ASP A 38 6.020 11.993 -8.678 1.00 1.29 O ATOM 577 OD2 ASP A 38 4.985 12.673 -10.486 1.00 1.12 O ATOM 0 H ASP A 38 2.717 8.274 -9.204 1.00 0.30 H new ATOM 0 HA ASP A 38 5.237 9.459 -10.109 1.00 0.33 H new ATOM 0 HB2 ASP A 38 3.130 11.135 -9.928 1.00 0.42 H new ATOM 0 HB3 ASP A 38 3.551 11.085 -8.228 1.00 0.42 H new ATOM 582 N SER A 39 6.054 9.474 -7.618 1.00 0.33 N ATOM 583 CA SER A 39 6.646 9.073 -6.356 1.00 0.35 C ATOM 584 C SER A 39 6.718 10.280 -5.427 1.00 0.27 C ATOM 585 O SER A 39 7.297 11.306 -5.779 1.00 0.35 O ATOM 586 CB SER A 39 8.036 8.481 -6.598 1.00 0.51 C ATOM 587 OG SER A 39 8.051 7.727 -7.798 1.00 0.78 O ATOM 0 H SER A 39 6.590 10.178 -8.126 1.00 0.33 H new ATOM 0 HA SER A 39 6.030 8.307 -5.885 1.00 0.35 H new ATOM 0 HB2 SER A 39 8.774 9.281 -6.655 1.00 0.51 H new ATOM 0 HB3 SER A 39 8.319 7.846 -5.759 1.00 0.51 H new ATOM 0 HG SER A 39 8.975 7.491 -8.024 1.00 0.78 H new ATOM 593 N TYR A 40 6.103 10.160 -4.258 1.00 0.32 N ATOM 594 CA TYR A 40 6.078 11.239 -3.286 1.00 0.33 C ATOM 595 C TYR A 40 7.067 10.961 -2.162 1.00 0.31 C ATOM 596 O TYR A 40 7.119 9.851 -1.628 1.00 0.35 O ATOM 597 CB TYR A 40 4.665 11.403 -2.722 1.00 0.44 C ATOM 598 CG TYR A 40 3.607 11.575 -3.791 1.00 0.53 C ATOM 599 CD1 TYR A 40 2.943 10.477 -4.327 1.00 0.68 C ATOM 600 CD2 TYR A 40 3.278 12.833 -4.268 1.00 0.67 C ATOM 601 CE1 TYR A 40 1.984 10.632 -5.312 1.00 0.79 C ATOM 602 CE2 TYR A 40 2.321 13.000 -5.248 1.00 0.80 C ATOM 603 CZ TYR A 40 1.676 11.898 -5.769 1.00 0.80 C ATOM 604 OH TYR A 40 0.730 12.066 -6.754 1.00 0.94 O ATOM 0 H TYR A 40 5.611 9.317 -3.960 1.00 0.32 H new ATOM 0 HA TYR A 40 6.369 12.165 -3.781 1.00 0.33 H new ATOM 0 HB2 TYR A 40 4.420 10.531 -2.116 1.00 0.44 H new ATOM 0 HB3 TYR A 40 4.645 12.268 -2.059 1.00 0.44 H new ATOM 0 HD1 TYR A 40 3.180 9.486 -3.968 1.00 0.68 H new ATOM 0 HD2 TYR A 40 3.780 13.700 -3.865 1.00 0.67 H new ATOM 0 HE1 TYR A 40 1.480 9.769 -5.721 1.00 0.79 H new ATOM 0 HE2 TYR A 40 2.078 13.990 -5.606 1.00 0.80 H new ATOM 0 HH TYR A 40 1.093 12.639 -7.462 1.00 0.94 H new ATOM 614 N ARG A 41 7.861 11.967 -1.824 1.00 0.33 N ATOM 615 CA ARG A 41 8.853 11.840 -0.765 1.00 0.34 C ATOM 616 C ARG A 41 8.432 12.632 0.462 1.00 0.40 C ATOM 617 O ARG A 41 7.993 13.778 0.349 1.00 0.53 O ATOM 618 CB ARG A 41 10.223 12.325 -1.243 1.00 0.40 C ATOM 619 CG ARG A 41 11.163 11.201 -1.647 1.00 0.38 C ATOM 620 CD ARG A 41 10.677 10.497 -2.901 1.00 0.36 C ATOM 621 NE ARG A 41 10.757 11.358 -4.077 1.00 0.40 N ATOM 622 CZ ARG A 41 10.815 10.906 -5.326 1.00 0.48 C ATOM 623 NH1 ARG A 41 10.800 9.602 -5.562 1.00 0.56 N ATOM 624 NH2 ARG A 41 10.876 11.759 -6.339 1.00 0.56 N ATOM 0 H ARG A 41 7.837 12.884 -2.270 1.00 0.33 H new ATOM 0 HA ARG A 41 8.924 10.785 -0.500 1.00 0.34 H new ATOM 0 HB2 ARG A 41 10.085 12.994 -2.092 1.00 0.40 H new ATOM 0 HB3 ARG A 41 10.689 12.909 -0.449 1.00 0.40 H new ATOM 0 HG2 ARG A 41 12.162 11.603 -1.817 1.00 0.38 H new ATOM 0 HG3 ARG A 41 11.244 10.482 -0.832 1.00 0.38 H new ATOM 0 HD2 ARG A 41 11.273 9.600 -3.067 1.00 0.36 H new ATOM 0 HD3 ARG A 41 9.646 10.173 -2.758 1.00 0.36 H new ATOM 0 HE ARG A 41 10.769 12.368 -3.932 1.00 0.40 H new ATOM 0 HH11 ARG A 41 10.744 8.944 -4.785 1.00 0.56 H new ATOM 0 HH12 ARG A 41 10.845 9.257 -6.521 1.00 0.56 H new ATOM 0 HH21 ARG A 41 10.878 12.763 -6.161 1.00 0.56 H new ATOM 0 HH22 ARG A 41 10.920 11.411 -7.297 1.00 0.56 H new ATOM 638 N LYS A 42 8.558 12.010 1.624 1.00 0.36 N ATOM 639 CA LYS A 42 8.207 12.644 2.884 1.00 0.44 C ATOM 640 C LYS A 42 9.103 12.119 3.999 1.00 0.36 C ATOM 641 O LYS A 42 9.269 10.909 4.152 1.00 0.32 O ATOM 642 CB LYS A 42 6.738 12.383 3.232 1.00 0.56 C ATOM 643 CG LYS A 42 6.306 13.001 4.555 1.00 0.72 C ATOM 644 CD LYS A 42 4.946 12.481 4.999 1.00 1.07 C ATOM 645 CE LYS A 42 4.438 13.219 6.230 1.00 1.33 C ATOM 646 NZ LYS A 42 4.042 14.618 5.916 1.00 1.46 N ATOM 0 H LYS A 42 8.905 11.056 1.720 1.00 0.36 H new ATOM 0 HA LYS A 42 8.353 13.719 2.780 1.00 0.44 H new ATOM 0 HB2 LYS A 42 6.109 12.777 2.434 1.00 0.56 H new ATOM 0 HB3 LYS A 42 6.568 11.307 3.270 1.00 0.56 H new ATOM 0 HG2 LYS A 42 7.049 12.779 5.321 1.00 0.72 H new ATOM 0 HG3 LYS A 42 6.266 14.086 4.455 1.00 0.72 H new ATOM 0 HD2 LYS A 42 4.230 12.593 4.185 1.00 1.07 H new ATOM 0 HD3 LYS A 42 5.017 11.415 5.216 1.00 1.07 H new ATOM 0 HE2 LYS A 42 3.584 12.685 6.646 1.00 1.33 H new ATOM 0 HE3 LYS A 42 5.214 13.225 6.995 1.00 1.33 H new ATOM 0 HZ1 LYS A 42 3.655 15.069 6.769 1.00 1.46 H new ATOM 0 HZ2 LYS A 42 4.874 15.150 5.591 1.00 1.46 H new ATOM 0 HZ3 LYS A 42 3.319 14.615 5.168 1.00 1.46 H new ATOM 660 N GLN A 43 9.693 13.025 4.757 1.00 0.46 N ATOM 661 CA GLN A 43 10.555 12.646 5.865 1.00 0.42 C ATOM 662 C GLN A 43 9.737 12.571 7.152 1.00 0.48 C ATOM 663 O GLN A 43 8.919 13.449 7.426 1.00 0.63 O ATOM 664 CB GLN A 43 11.728 13.633 6.018 1.00 0.53 C ATOM 665 CG GLN A 43 11.341 15.014 6.545 1.00 0.73 C ATOM 666 CD GLN A 43 10.547 15.832 5.546 1.00 1.26 C ATOM 667 OE1 GLN A 43 11.112 16.493 4.678 1.00 1.75 O ATOM 668 NE2 GLN A 43 9.228 15.797 5.662 1.00 1.89 N ATOM 0 H GLN A 43 9.592 14.031 4.626 1.00 0.46 H new ATOM 0 HA GLN A 43 10.978 11.663 5.657 1.00 0.42 H new ATOM 0 HB2 GLN A 43 12.466 13.197 6.691 1.00 0.53 H new ATOM 0 HB3 GLN A 43 12.212 13.752 5.049 1.00 0.53 H new ATOM 0 HG2 GLN A 43 10.755 14.897 7.457 1.00 0.73 H new ATOM 0 HG3 GLN A 43 12.245 15.560 6.815 1.00 0.73 H new ATOM 0 HE21 GLN A 43 8.795 15.236 6.396 1.00 1.89 H new ATOM 0 HE22 GLN A 43 8.645 16.331 5.017 1.00 1.89 H new ATOM 677 N VAL A 44 9.937 11.513 7.923 1.00 0.41 N ATOM 678 CA VAL A 44 9.209 11.328 9.174 1.00 0.50 C ATOM 679 C VAL A 44 10.125 10.783 10.258 1.00 0.41 C ATOM 680 O VAL A 44 11.106 10.091 9.968 1.00 0.38 O ATOM 681 CB VAL A 44 8.002 10.372 9.021 1.00 0.65 C ATOM 682 CG1 VAL A 44 6.807 11.099 8.425 1.00 0.92 C ATOM 683 CG2 VAL A 44 8.369 9.168 8.169 1.00 1.09 C ATOM 0 H VAL A 44 10.598 10.767 7.706 1.00 0.41 H new ATOM 0 HA VAL A 44 8.836 12.313 9.456 1.00 0.50 H new ATOM 0 HB VAL A 44 7.728 10.018 10.015 1.00 0.65 H new ATOM 0 HG11 VAL A 44 5.971 10.406 8.327 1.00 0.92 H new ATOM 0 HG12 VAL A 44 6.520 11.924 9.078 1.00 0.92 H new ATOM 0 HG13 VAL A 44 7.072 11.489 7.442 1.00 0.92 H new ATOM 0 HG21 VAL A 44 7.504 8.511 8.076 1.00 1.09 H new ATOM 0 HG22 VAL A 44 8.678 9.503 7.179 1.00 1.09 H new ATOM 0 HG23 VAL A 44 9.188 8.625 8.640 1.00 1.09 H new ATOM 693 N VAL A 45 9.804 11.101 11.499 1.00 0.46 N ATOM 694 CA VAL A 45 10.585 10.642 12.630 1.00 0.41 C ATOM 695 C VAL A 45 9.779 9.637 13.442 1.00 0.46 C ATOM 696 O VAL A 45 9.014 10.007 14.330 1.00 0.65 O ATOM 697 CB VAL A 45 11.017 11.811 13.540 1.00 0.43 C ATOM 698 CG1 VAL A 45 11.953 11.320 14.634 1.00 0.47 C ATOM 699 CG2 VAL A 45 11.678 12.909 12.725 1.00 0.54 C ATOM 0 H VAL A 45 9.002 11.679 11.749 1.00 0.46 H new ATOM 0 HA VAL A 45 11.486 10.169 12.239 1.00 0.41 H new ATOM 0 HB VAL A 45 10.125 12.225 14.011 1.00 0.43 H new ATOM 0 HG11 VAL A 45 12.247 12.159 15.265 1.00 0.47 H new ATOM 0 HG12 VAL A 45 11.443 10.571 15.240 1.00 0.47 H new ATOM 0 HG13 VAL A 45 12.841 10.878 14.182 1.00 0.47 H new ATOM 0 HG21 VAL A 45 11.975 13.724 13.385 1.00 0.54 H new ATOM 0 HG22 VAL A 45 12.559 12.509 12.223 1.00 0.54 H new ATOM 0 HG23 VAL A 45 10.975 13.283 11.981 1.00 0.54 H new ATOM 709 N ILE A 46 9.935 8.365 13.114 1.00 0.45 N ATOM 710 CA ILE A 46 9.225 7.304 13.809 1.00 0.52 C ATOM 711 C ILE A 46 10.164 6.597 14.774 1.00 0.47 C ATOM 712 O ILE A 46 11.215 6.090 14.374 1.00 0.47 O ATOM 713 CB ILE A 46 8.619 6.279 12.822 1.00 0.65 C ATOM 714 CG1 ILE A 46 7.711 6.983 11.812 1.00 0.79 C ATOM 715 CG2 ILE A 46 7.843 5.205 13.571 1.00 1.06 C ATOM 716 CD1 ILE A 46 7.285 6.099 10.660 1.00 0.81 C ATOM 0 H ILE A 46 10.550 8.041 12.367 1.00 0.45 H new ATOM 0 HA ILE A 46 8.405 7.761 14.362 1.00 0.52 H new ATOM 0 HB ILE A 46 9.436 5.800 12.282 1.00 0.65 H new ATOM 0 HG12 ILE A 46 6.822 7.347 12.327 1.00 0.79 H new ATOM 0 HG13 ILE A 46 8.230 7.856 11.416 1.00 0.79 H new ATOM 0 HG21 ILE A 46 7.425 4.494 12.858 1.00 1.06 H new ATOM 0 HG22 ILE A 46 8.512 4.682 14.254 1.00 1.06 H new ATOM 0 HG23 ILE A 46 7.035 5.668 14.138 1.00 1.06 H new ATOM 0 HD11 ILE A 46 6.643 6.665 9.985 1.00 0.81 H new ATOM 0 HD12 ILE A 46 8.167 5.755 10.120 1.00 0.81 H new ATOM 0 HD13 ILE A 46 6.737 5.239 11.045 1.00 0.81 H new ATOM 728 N ASP A 47 9.790 6.601 16.051 1.00 0.48 N ATOM 729 CA ASP A 47 10.577 5.961 17.113 1.00 0.50 C ATOM 730 C ASP A 47 11.927 6.643 17.289 1.00 0.45 C ATOM 731 O ASP A 47 12.876 6.043 17.796 1.00 0.53 O ATOM 732 CB ASP A 47 10.773 4.467 16.837 1.00 0.56 C ATOM 733 CG ASP A 47 9.478 3.688 16.900 1.00 0.65 C ATOM 734 OD1 ASP A 47 8.810 3.710 17.957 1.00 0.97 O ATOM 735 OD2 ASP A 47 9.117 3.054 15.890 1.00 0.79 O ATOM 0 H ASP A 47 8.935 7.046 16.383 1.00 0.48 H new ATOM 0 HA ASP A 47 10.014 6.069 18.040 1.00 0.50 H new ATOM 0 HB2 ASP A 47 11.222 4.339 15.852 1.00 0.56 H new ATOM 0 HB3 ASP A 47 11.475 4.056 17.563 1.00 0.56 H new ATOM 740 N GLY A 48 12.007 7.903 16.878 1.00 0.41 N ATOM 741 CA GLY A 48 13.244 8.650 17.006 1.00 0.43 C ATOM 742 C GLY A 48 14.092 8.587 15.751 1.00 0.43 C ATOM 743 O GLY A 48 14.993 9.401 15.559 1.00 0.60 O ATOM 0 H GLY A 48 11.236 8.422 16.458 1.00 0.41 H new ATOM 0 HA2 GLY A 48 13.014 9.691 17.234 1.00 0.43 H new ATOM 0 HA3 GLY A 48 13.816 8.258 17.847 1.00 0.43 H new ATOM 747 N GLU A 49 13.797 7.625 14.891 1.00 0.40 N ATOM 748 CA GLU A 49 14.542 7.452 13.656 1.00 0.43 C ATOM 749 C GLU A 49 14.029 8.400 12.574 1.00 0.34 C ATOM 750 O GLU A 49 12.833 8.436 12.278 1.00 0.36 O ATOM 751 CB GLU A 49 14.430 6.004 13.186 1.00 0.52 C ATOM 752 CG GLU A 49 14.961 4.998 14.195 1.00 0.72 C ATOM 753 CD GLU A 49 16.468 4.876 14.149 1.00 0.96 C ATOM 754 OE1 GLU A 49 17.158 5.628 14.866 1.00 1.30 O ATOM 755 OE2 GLU A 49 16.971 4.022 13.390 1.00 1.41 O ATOM 0 H GLU A 49 13.044 6.950 15.027 1.00 0.40 H new ATOM 0 HA GLU A 49 15.589 7.689 13.845 1.00 0.43 H new ATOM 0 HB2 GLU A 49 13.385 5.778 12.975 1.00 0.52 H new ATOM 0 HB3 GLU A 49 14.976 5.891 12.249 1.00 0.52 H new ATOM 0 HG2 GLU A 49 14.654 5.296 15.197 1.00 0.72 H new ATOM 0 HG3 GLU A 49 14.514 4.023 14.001 1.00 0.72 H new ATOM 762 N THR A 50 14.935 9.171 11.999 1.00 0.35 N ATOM 763 CA THR A 50 14.583 10.115 10.954 1.00 0.32 C ATOM 764 C THR A 50 14.774 9.469 9.585 1.00 0.30 C ATOM 765 O THR A 50 15.899 9.335 9.098 1.00 0.38 O ATOM 766 CB THR A 50 15.435 11.391 11.062 1.00 0.45 C ATOM 767 OG1 THR A 50 15.530 11.790 12.438 1.00 0.63 O ATOM 768 CG2 THR A 50 14.831 12.522 10.242 1.00 0.47 C ATOM 0 H THR A 50 15.926 9.161 12.240 1.00 0.35 H new ATOM 0 HA THR A 50 13.536 10.392 11.076 1.00 0.32 H new ATOM 0 HB THR A 50 16.429 11.176 10.670 1.00 0.45 H new ATOM 0 HG1 THR A 50 16.074 12.602 12.506 1.00 0.63 H new ATOM 0 HG21 THR A 50 15.453 13.412 10.336 1.00 0.47 H new ATOM 0 HG22 THR A 50 14.779 12.225 9.195 1.00 0.47 H new ATOM 0 HG23 THR A 50 13.828 12.740 10.607 1.00 0.47 H new ATOM 776 N CYS A 51 13.673 9.074 8.964 1.00 0.31 N ATOM 777 CA CYS A 51 13.731 8.406 7.676 1.00 0.40 C ATOM 778 C CYS A 51 12.945 9.153 6.604 1.00 0.34 C ATOM 779 O CYS A 51 12.039 9.934 6.904 1.00 0.35 O ATOM 780 CB CYS A 51 13.187 6.980 7.813 1.00 0.53 C ATOM 781 SG CYS A 51 13.938 6.030 9.162 1.00 0.71 S ATOM 0 H CYS A 51 12.731 9.205 9.332 1.00 0.31 H new ATOM 0 HA CYS A 51 14.775 8.384 7.363 1.00 0.40 H new ATOM 0 HB2 CYS A 51 12.110 7.027 7.972 1.00 0.53 H new ATOM 0 HB3 CYS A 51 13.348 6.449 6.875 1.00 0.53 H new ATOM 0 HG CYS A 51 13.414 4.841 9.200 1.00 0.71 H new ATOM 787 N LEU A 52 13.323 8.911 5.355 1.00 0.32 N ATOM 788 CA LEU A 52 12.667 9.508 4.205 1.00 0.30 C ATOM 789 C LEU A 52 11.868 8.429 3.483 1.00 0.28 C ATOM 790 O LEU A 52 12.432 7.437 3.019 1.00 0.35 O ATOM 791 CB LEU A 52 13.702 10.126 3.261 1.00 0.37 C ATOM 792 CG LEU A 52 13.135 10.772 1.996 1.00 0.40 C ATOM 793 CD1 LEU A 52 12.484 12.111 2.315 1.00 0.48 C ATOM 794 CD2 LEU A 52 14.226 10.944 0.951 1.00 0.47 C ATOM 0 H LEU A 52 14.097 8.292 5.113 1.00 0.32 H new ATOM 0 HA LEU A 52 11.997 10.302 4.536 1.00 0.30 H new ATOM 0 HB2 LEU A 52 14.266 10.879 3.811 1.00 0.37 H new ATOM 0 HB3 LEU A 52 14.409 9.350 2.967 1.00 0.37 H new ATOM 0 HG LEU A 52 12.369 10.111 1.591 1.00 0.40 H new ATOM 0 HD11 LEU A 52 12.088 12.551 1.399 1.00 0.48 H new ATOM 0 HD12 LEU A 52 11.671 11.960 3.026 1.00 0.48 H new ATOM 0 HD13 LEU A 52 13.226 12.782 2.749 1.00 0.48 H new ATOM 0 HD21 LEU A 52 13.805 11.405 0.058 1.00 0.47 H new ATOM 0 HD22 LEU A 52 15.015 11.581 1.350 1.00 0.47 H new ATOM 0 HD23 LEU A 52 14.641 9.969 0.695 1.00 0.47 H new ATOM 806 N LEU A 53 10.562 8.609 3.404 1.00 0.27 N ATOM 807 CA LEU A 53 9.703 7.633 2.756 1.00 0.29 C ATOM 808 C LEU A 53 9.498 7.963 1.286 1.00 0.25 C ATOM 809 O LEU A 53 9.036 9.052 0.938 1.00 0.30 O ATOM 810 CB LEU A 53 8.346 7.558 3.464 1.00 0.37 C ATOM 811 CG LEU A 53 8.398 7.241 4.961 1.00 0.39 C ATOM 812 CD1 LEU A 53 6.991 7.114 5.521 1.00 0.59 C ATOM 813 CD2 LEU A 53 9.189 5.968 5.221 1.00 0.87 C ATOM 0 H LEU A 53 10.073 9.421 3.780 1.00 0.27 H new ATOM 0 HA LEU A 53 10.198 6.664 2.824 1.00 0.29 H new ATOM 0 HB2 LEU A 53 7.833 8.511 3.330 1.00 0.37 H new ATOM 0 HB3 LEU A 53 7.740 6.798 2.971 1.00 0.37 H new ATOM 0 HG LEU A 53 8.905 8.063 5.466 1.00 0.39 H new ATOM 0 HD11 LEU A 53 7.042 6.888 6.586 1.00 0.59 H new ATOM 0 HD12 LEU A 53 6.455 8.052 5.374 1.00 0.59 H new ATOM 0 HD13 LEU A 53 6.465 6.311 5.005 1.00 0.59 H new ATOM 0 HD21 LEU A 53 9.211 5.765 6.292 1.00 0.87 H new ATOM 0 HD22 LEU A 53 8.716 5.134 4.703 1.00 0.87 H new ATOM 0 HD23 LEU A 53 10.208 6.092 4.854 1.00 0.87 H new ATOM 825 N ASP A 54 9.871 7.023 0.434 1.00 0.23 N ATOM 826 CA ASP A 54 9.707 7.161 -1.006 1.00 0.24 C ATOM 827 C ASP A 54 8.571 6.250 -1.442 1.00 0.24 C ATOM 828 O ASP A 54 8.729 5.028 -1.469 1.00 0.28 O ATOM 829 CB ASP A 54 11.006 6.792 -1.735 1.00 0.26 C ATOM 830 CG ASP A 54 10.858 6.760 -3.248 1.00 0.39 C ATOM 831 OD1 ASP A 54 10.205 7.659 -3.810 1.00 0.96 O ATOM 832 OD2 ASP A 54 11.429 5.847 -3.879 1.00 1.03 O ATOM 0 H ASP A 54 10.297 6.141 0.720 1.00 0.23 H new ATOM 0 HA ASP A 54 9.473 8.195 -1.257 1.00 0.24 H new ATOM 0 HB2 ASP A 54 11.781 7.510 -1.468 1.00 0.26 H new ATOM 0 HB3 ASP A 54 11.344 5.815 -1.389 1.00 0.26 H new ATOM 837 N ILE A 55 7.421 6.839 -1.744 1.00 0.24 N ATOM 838 CA ILE A 55 6.254 6.058 -2.133 1.00 0.27 C ATOM 839 C ILE A 55 5.877 6.291 -3.590 1.00 0.26 C ATOM 840 O ILE A 55 5.751 7.430 -4.037 1.00 0.34 O ATOM 841 CB ILE A 55 5.033 6.383 -1.241 1.00 0.34 C ATOM 842 CG1 ILE A 55 5.394 6.217 0.239 1.00 0.46 C ATOM 843 CG2 ILE A 55 3.854 5.488 -1.603 1.00 0.40 C ATOM 844 CD1 ILE A 55 4.273 6.577 1.189 1.00 0.68 C ATOM 0 H ILE A 55 7.272 7.848 -1.727 1.00 0.24 H new ATOM 0 HA ILE A 55 6.529 5.011 -2.001 1.00 0.27 H new ATOM 0 HB ILE A 55 4.745 7.420 -1.414 1.00 0.34 H new ATOM 0 HG12 ILE A 55 5.689 5.183 0.417 1.00 0.46 H new ATOM 0 HG13 ILE A 55 6.261 6.839 0.463 1.00 0.46 H new ATOM 0 HG21 ILE A 55 3.004 5.731 -0.965 1.00 0.40 H new ATOM 0 HG22 ILE A 55 3.582 5.648 -2.646 1.00 0.40 H new ATOM 0 HG23 ILE A 55 4.131 4.444 -1.456 1.00 0.40 H new ATOM 0 HD11 ILE A 55 4.607 6.433 2.217 1.00 0.68 H new ATOM 0 HD12 ILE A 55 3.992 7.620 1.041 1.00 0.68 H new ATOM 0 HD13 ILE A 55 3.412 5.938 0.994 1.00 0.68 H new ATOM 856 N LEU A 56 5.684 5.203 -4.319 1.00 0.30 N ATOM 857 CA LEU A 56 5.311 5.278 -5.720 1.00 0.32 C ATOM 858 C LEU A 56 3.842 4.905 -5.903 1.00 0.33 C ATOM 859 O LEU A 56 3.430 3.785 -5.580 1.00 0.39 O ATOM 860 CB LEU A 56 6.192 4.337 -6.552 1.00 0.37 C ATOM 861 CG LEU A 56 5.792 4.186 -8.024 1.00 0.42 C ATOM 862 CD1 LEU A 56 6.163 5.428 -8.816 1.00 0.45 C ATOM 863 CD2 LEU A 56 6.450 2.952 -8.626 1.00 0.46 C ATOM 0 H LEU A 56 5.781 4.253 -3.960 1.00 0.30 H new ATOM 0 HA LEU A 56 5.459 6.303 -6.061 1.00 0.32 H new ATOM 0 HB2 LEU A 56 7.220 4.697 -6.508 1.00 0.37 H new ATOM 0 HB3 LEU A 56 6.180 3.351 -6.087 1.00 0.37 H new ATOM 0 HG LEU A 56 4.710 4.064 -8.074 1.00 0.42 H new ATOM 0 HD11 LEU A 56 5.869 5.297 -9.857 1.00 0.45 H new ATOM 0 HD12 LEU A 56 5.647 6.293 -8.400 1.00 0.45 H new ATOM 0 HD13 LEU A 56 7.240 5.587 -8.760 1.00 0.45 H new ATOM 0 HD21 LEU A 56 6.157 2.857 -9.672 1.00 0.46 H new ATOM 0 HD22 LEU A 56 7.534 3.049 -8.560 1.00 0.46 H new ATOM 0 HD23 LEU A 56 6.131 2.066 -8.078 1.00 0.46 H new ATOM 875 N ASP A 57 3.052 5.847 -6.400 1.00 0.32 N ATOM 876 CA ASP A 57 1.639 5.602 -6.655 1.00 0.34 C ATOM 877 C ASP A 57 1.484 5.019 -8.049 1.00 0.36 C ATOM 878 O ASP A 57 1.410 5.752 -9.034 1.00 0.40 O ATOM 879 CB ASP A 57 0.807 6.887 -6.522 1.00 0.35 C ATOM 880 CG ASP A 57 -0.603 6.717 -7.066 1.00 0.37 C ATOM 881 OD1 ASP A 57 -1.328 5.811 -6.630 1.00 0.37 O ATOM 882 OD2 ASP A 57 -1.032 7.498 -7.947 1.00 0.44 O ATOM 0 H ASP A 57 3.366 6.789 -6.635 1.00 0.32 H new ATOM 0 HA ASP A 57 1.268 4.898 -5.910 1.00 0.34 H new ATOM 0 HB2 ASP A 57 0.757 7.179 -5.473 1.00 0.35 H new ATOM 0 HB3 ASP A 57 1.305 7.697 -7.055 1.00 0.35 H new ATOM 887 N THR A 58 1.466 3.702 -8.124 1.00 0.40 N ATOM 888 CA THR A 58 1.348 3.007 -9.391 1.00 0.44 C ATOM 889 C THR A 58 -0.033 3.188 -10.005 1.00 0.41 C ATOM 890 O THR A 58 -1.038 3.291 -9.291 1.00 0.49 O ATOM 891 CB THR A 58 1.645 1.512 -9.215 1.00 0.53 C ATOM 892 OG1 THR A 58 1.354 1.116 -7.866 1.00 0.61 O ATOM 893 CG2 THR A 58 3.101 1.217 -9.531 1.00 0.73 C ATOM 0 H THR A 58 1.532 3.087 -7.313 1.00 0.40 H new ATOM 0 HA THR A 58 2.081 3.443 -10.070 1.00 0.44 H new ATOM 0 HB THR A 58 1.016 0.948 -9.904 1.00 0.53 H new ATOM 0 HG1 THR A 58 1.543 0.161 -7.757 1.00 0.61 H new ATOM 0 HG21 THR A 58 3.293 0.152 -9.401 1.00 0.73 H new ATOM 0 HG22 THR A 58 3.314 1.501 -10.562 1.00 0.73 H new ATOM 0 HG23 THR A 58 3.742 1.786 -8.858 1.00 0.73 H new ATOM 901 N ALA A 59 -0.074 3.239 -11.329 1.00 0.41 N ATOM 902 CA ALA A 59 -1.328 3.400 -12.046 1.00 0.39 C ATOM 903 C ALA A 59 -1.978 2.047 -12.300 1.00 0.40 C ATOM 904 O ALA A 59 -3.173 1.866 -12.058 1.00 0.56 O ATOM 905 CB ALA A 59 -1.101 4.147 -13.352 1.00 0.43 C ATOM 0 H ALA A 59 0.749 3.171 -11.928 1.00 0.41 H new ATOM 0 HA ALA A 59 -2.006 3.990 -11.429 1.00 0.39 H new ATOM 0 HB1 ALA A 59 -2.050 4.259 -13.877 1.00 0.43 H new ATOM 0 HB2 ALA A 59 -0.685 5.132 -13.140 1.00 0.43 H new ATOM 0 HB3 ALA A 59 -0.405 3.586 -13.976 1.00 0.43 H new ATOM 911 N GLY A 60 -1.184 1.096 -12.774 1.00 0.42 N ATOM 912 CA GLY A 60 -1.699 -0.231 -13.044 1.00 0.46 C ATOM 913 C GLY A 60 -0.995 -0.890 -14.209 1.00 0.47 C ATOM 914 O GLY A 60 -0.236 -1.845 -14.030 1.00 0.72 O ATOM 0 H GLY A 60 -0.192 1.220 -12.976 1.00 0.42 H new ATOM 0 HA2 GLY A 60 -1.585 -0.851 -12.155 1.00 0.46 H new ATOM 0 HA3 GLY A 60 -2.767 -0.169 -13.255 1.00 0.46 H new ATOM 918 N GLN A 61 -1.244 -0.382 -15.405 1.00 0.43 N ATOM 919 CA GLN A 61 -0.629 -0.929 -16.605 1.00 0.51 C ATOM 920 C GLN A 61 0.591 -0.110 -17.011 1.00 0.44 C ATOM 921 O GLN A 61 0.468 1.040 -17.440 1.00 0.63 O ATOM 922 CB GLN A 61 -1.636 -0.974 -17.760 1.00 0.71 C ATOM 923 CG GLN A 61 -2.707 -2.040 -17.597 1.00 0.80 C ATOM 924 CD GLN A 61 -2.135 -3.445 -17.594 1.00 1.04 C ATOM 925 OE1 GLN A 61 -1.098 -3.713 -18.206 1.00 1.23 O ATOM 926 NE2 GLN A 61 -2.811 -4.353 -16.907 1.00 1.26 N ATOM 0 H GLN A 61 -1.867 0.408 -15.572 1.00 0.43 H new ATOM 0 HA GLN A 61 -0.308 -1.946 -16.380 1.00 0.51 H new ATOM 0 HB2 GLN A 61 -2.117 0.000 -17.849 1.00 0.71 H new ATOM 0 HB3 GLN A 61 -1.099 -1.151 -18.692 1.00 0.71 H new ATOM 0 HG2 GLN A 61 -3.246 -1.869 -16.665 1.00 0.80 H new ATOM 0 HG3 GLN A 61 -3.432 -1.948 -18.406 1.00 0.80 H new ATOM 0 HE21 GLN A 61 -3.664 -4.089 -16.415 1.00 1.26 H new ATOM 0 HE22 GLN A 61 -2.478 -5.316 -16.870 1.00 1.26 H new ATOM 935 N GLU A 62 1.766 -0.708 -16.872 1.00 0.51 N ATOM 936 CA GLU A 62 3.015 -0.047 -17.229 1.00 0.54 C ATOM 937 C GLU A 62 3.276 -0.168 -18.727 1.00 0.54 C ATOM 938 O GLU A 62 2.630 -0.965 -19.408 1.00 0.59 O ATOM 939 CB GLU A 62 4.179 -0.663 -16.448 1.00 0.70 C ATOM 940 CG GLU A 62 4.766 0.259 -15.388 1.00 0.81 C ATOM 941 CD GLU A 62 5.503 1.448 -15.980 1.00 0.96 C ATOM 942 OE1 GLU A 62 5.003 2.040 -16.962 1.00 1.57 O ATOM 943 OE2 GLU A 62 6.577 1.805 -15.458 1.00 1.43 O ATOM 0 H GLU A 62 1.881 -1.656 -16.512 1.00 0.51 H new ATOM 0 HA GLU A 62 2.931 1.009 -16.973 1.00 0.54 H new ATOM 0 HB2 GLU A 62 3.837 -1.580 -15.969 1.00 0.70 H new ATOM 0 HB3 GLU A 62 4.966 -0.943 -17.148 1.00 0.70 H new ATOM 0 HG2 GLU A 62 3.964 0.619 -14.743 1.00 0.81 H new ATOM 0 HG3 GLU A 62 5.451 -0.309 -14.758 1.00 0.81 H new ATOM 950 N GLU A 63 4.216 0.621 -19.232 1.00 0.55 N ATOM 951 CA GLU A 63 4.554 0.580 -20.648 1.00 0.59 C ATOM 952 C GLU A 63 5.101 -0.799 -21.005 1.00 0.47 C ATOM 953 O GLU A 63 4.709 -1.399 -22.008 1.00 0.50 O ATOM 954 CB GLU A 63 5.574 1.668 -20.991 1.00 0.70 C ATOM 955 CG GLU A 63 5.875 1.773 -22.479 1.00 0.96 C ATOM 956 CD GLU A 63 6.319 3.160 -22.891 1.00 1.10 C ATOM 957 OE1 GLU A 63 6.826 3.911 -22.033 1.00 1.32 O ATOM 958 OE2 GLU A 63 6.154 3.510 -24.079 1.00 1.38 O ATOM 0 H GLU A 63 4.755 1.293 -18.686 1.00 0.55 H new ATOM 0 HA GLU A 63 3.653 0.767 -21.232 1.00 0.59 H new ATOM 0 HB2 GLU A 63 5.202 2.629 -20.635 1.00 0.70 H new ATOM 0 HB3 GLU A 63 6.501 1.467 -20.454 1.00 0.70 H new ATOM 0 HG2 GLU A 63 6.653 1.055 -22.739 1.00 0.96 H new ATOM 0 HG3 GLU A 63 4.985 1.498 -23.045 1.00 0.96 H new ATOM 965 N TYR A 64 6.003 -1.297 -20.171 1.00 0.40 N ATOM 966 CA TYR A 64 6.585 -2.613 -20.364 1.00 0.34 C ATOM 967 C TYR A 64 6.441 -3.413 -19.079 1.00 0.30 C ATOM 968 O TYR A 64 6.565 -2.860 -17.985 1.00 0.30 O ATOM 969 CB TYR A 64 8.064 -2.518 -20.754 1.00 0.36 C ATOM 970 CG TYR A 64 8.312 -1.747 -22.034 1.00 0.44 C ATOM 971 CD1 TYR A 64 7.851 -2.218 -23.259 1.00 0.59 C ATOM 972 CD2 TYR A 64 9.008 -0.547 -22.015 1.00 0.66 C ATOM 973 CE1 TYR A 64 8.077 -1.512 -24.427 1.00 0.68 C ATOM 974 CE2 TYR A 64 9.240 0.164 -23.178 1.00 0.76 C ATOM 975 CZ TYR A 64 8.771 -0.323 -24.380 1.00 0.67 C ATOM 976 OH TYR A 64 8.992 0.384 -25.541 1.00 0.81 O ATOM 0 H TYR A 64 6.348 -0.803 -19.348 1.00 0.40 H new ATOM 0 HA TYR A 64 6.057 -3.110 -21.178 1.00 0.34 H new ATOM 0 HB2 TYR A 64 8.614 -2.042 -19.942 1.00 0.36 H new ATOM 0 HB3 TYR A 64 8.466 -3.525 -20.864 1.00 0.36 H new ATOM 0 HD1 TYR A 64 7.308 -3.150 -23.299 1.00 0.59 H new ATOM 0 HD2 TYR A 64 9.375 -0.161 -21.075 1.00 0.66 H new ATOM 0 HE1 TYR A 64 7.712 -1.891 -25.370 1.00 0.68 H new ATOM 0 HE2 TYR A 64 9.785 1.096 -23.145 1.00 0.76 H new ATOM 0 HH TYR A 64 9.495 1.200 -25.336 1.00 0.81 H new ATOM 986 N SER A 65 6.182 -4.708 -19.207 1.00 0.32 N ATOM 987 CA SER A 65 6.016 -5.576 -18.046 1.00 0.34 C ATOM 988 C SER A 65 7.290 -5.619 -17.205 1.00 0.30 C ATOM 989 O SER A 65 7.247 -5.862 -15.997 1.00 0.35 O ATOM 990 CB SER A 65 5.621 -6.979 -18.501 1.00 0.40 C ATOM 991 OG SER A 65 4.585 -6.915 -19.470 1.00 0.63 O ATOM 0 H SER A 65 6.082 -5.182 -20.105 1.00 0.32 H new ATOM 0 HA SER A 65 5.221 -5.170 -17.420 1.00 0.34 H new ATOM 0 HB2 SER A 65 6.488 -7.489 -18.920 1.00 0.40 H new ATOM 0 HB3 SER A 65 5.290 -7.566 -17.644 1.00 0.40 H new ATOM 0 HG SER A 65 4.345 -7.822 -19.752 1.00 0.63 H new ATOM 997 N ALA A 66 8.420 -5.377 -17.853 1.00 0.26 N ATOM 998 CA ALA A 66 9.709 -5.363 -17.176 1.00 0.26 C ATOM 999 C ALA A 66 9.809 -4.181 -16.217 1.00 0.26 C ATOM 1000 O ALA A 66 10.485 -4.252 -15.191 1.00 0.32 O ATOM 1001 CB ALA A 66 10.830 -5.317 -18.200 1.00 0.26 C ATOM 0 H ALA A 66 8.470 -5.186 -18.854 1.00 0.26 H new ATOM 0 HA ALA A 66 9.803 -6.277 -16.590 1.00 0.26 H new ATOM 0 HB1 ALA A 66 11.792 -5.307 -17.687 1.00 0.26 H new ATOM 0 HB2 ALA A 66 10.771 -6.195 -18.843 1.00 0.26 H new ATOM 0 HB3 ALA A 66 10.733 -4.416 -18.806 1.00 0.26 H new ATOM 1007 N MET A 67 9.118 -3.101 -16.555 1.00 0.25 N ATOM 1008 CA MET A 67 9.114 -1.903 -15.731 1.00 0.30 C ATOM 1009 C MET A 67 8.351 -2.161 -14.442 1.00 0.30 C ATOM 1010 O MET A 67 8.773 -1.744 -13.365 1.00 0.34 O ATOM 1011 CB MET A 67 8.495 -0.732 -16.496 1.00 0.36 C ATOM 1012 CG MET A 67 9.299 -0.316 -17.719 1.00 0.50 C ATOM 1013 SD MET A 67 8.351 0.707 -18.864 1.00 0.63 S ATOM 1014 CE MET A 67 8.464 2.316 -18.075 1.00 0.69 C ATOM 0 H MET A 67 8.550 -3.031 -17.400 1.00 0.25 H new ATOM 0 HA MET A 67 10.143 -1.643 -15.482 1.00 0.30 H new ATOM 0 HB2 MET A 67 7.487 -1.004 -16.809 1.00 0.36 H new ATOM 0 HB3 MET A 67 8.401 0.122 -15.825 1.00 0.36 H new ATOM 0 HG2 MET A 67 10.184 0.232 -17.397 1.00 0.50 H new ATOM 0 HG3 MET A 67 9.648 -1.208 -18.239 1.00 0.50 H new ATOM 0 HE1 MET A 67 7.555 2.884 -18.274 1.00 0.69 H new ATOM 0 HE2 MET A 67 8.582 2.186 -16.999 1.00 0.69 H new ATOM 0 HE3 MET A 67 9.323 2.856 -18.472 1.00 0.69 H new ATOM 1024 N ARG A 68 7.228 -2.865 -14.560 1.00 0.31 N ATOM 1025 CA ARG A 68 6.419 -3.213 -13.401 1.00 0.36 C ATOM 1026 C ARG A 68 7.210 -4.138 -12.486 1.00 0.37 C ATOM 1027 O ARG A 68 7.182 -4.011 -11.262 1.00 0.41 O ATOM 1028 CB ARG A 68 5.123 -3.898 -13.846 1.00 0.43 C ATOM 1029 CG ARG A 68 4.310 -4.468 -12.694 1.00 0.55 C ATOM 1030 CD ARG A 68 3.219 -5.402 -13.186 1.00 0.62 C ATOM 1031 NE ARG A 68 3.764 -6.665 -13.681 1.00 0.64 N ATOM 1032 CZ ARG A 68 3.405 -7.239 -14.829 1.00 0.76 C ATOM 1033 NH1 ARG A 68 2.496 -6.666 -15.611 1.00 0.90 N ATOM 1034 NH2 ARG A 68 3.949 -8.395 -15.191 1.00 0.86 N ATOM 0 H ARG A 68 6.860 -3.205 -15.448 1.00 0.31 H new ATOM 0 HA ARG A 68 6.163 -2.303 -12.859 1.00 0.36 H new ATOM 0 HB2 ARG A 68 4.511 -3.180 -14.391 1.00 0.43 H new ATOM 0 HB3 ARG A 68 5.367 -4.702 -14.541 1.00 0.43 H new ATOM 0 HG2 ARG A 68 4.970 -5.006 -12.014 1.00 0.55 H new ATOM 0 HG3 ARG A 68 3.862 -3.653 -12.126 1.00 0.55 H new ATOM 0 HD2 ARG A 68 2.519 -5.602 -12.375 1.00 0.62 H new ATOM 0 HD3 ARG A 68 2.655 -4.914 -13.981 1.00 0.62 H new ATOM 0 HE ARG A 68 4.465 -7.138 -13.110 1.00 0.64 H new ATOM 0 HH11 ARG A 68 2.069 -5.782 -15.334 1.00 0.90 H new ATOM 0 HH12 ARG A 68 2.225 -7.110 -16.488 1.00 0.90 H new ATOM 0 HH21 ARG A 68 4.641 -8.843 -14.591 1.00 0.86 H new ATOM 0 HH22 ARG A 68 3.675 -8.835 -16.069 1.00 0.86 H new ATOM 1048 N ASP A 69 7.943 -5.047 -13.114 1.00 0.37 N ATOM 1049 CA ASP A 69 8.761 -6.027 -12.411 1.00 0.42 C ATOM 1050 C ASP A 69 9.934 -5.361 -11.704 1.00 0.36 C ATOM 1051 O ASP A 69 10.528 -5.935 -10.794 1.00 0.42 O ATOM 1052 CB ASP A 69 9.292 -7.063 -13.407 1.00 0.58 C ATOM 1053 CG ASP A 69 9.263 -8.475 -12.861 1.00 0.78 C ATOM 1054 OD1 ASP A 69 8.190 -9.112 -12.932 1.00 0.94 O ATOM 1055 OD2 ASP A 69 10.313 -8.954 -12.385 1.00 1.41 O ATOM 0 H ASP A 69 7.988 -5.126 -14.130 1.00 0.37 H new ATOM 0 HA ASP A 69 8.138 -6.514 -11.661 1.00 0.42 H new ATOM 0 HB2 ASP A 69 8.698 -7.020 -14.320 1.00 0.58 H new ATOM 0 HB3 ASP A 69 10.315 -6.806 -13.680 1.00 0.58 H new ATOM 1060 N GLN A 70 10.264 -4.148 -12.127 1.00 0.32 N ATOM 1061 CA GLN A 70 11.375 -3.414 -11.542 1.00 0.31 C ATOM 1062 C GLN A 70 11.006 -2.814 -10.187 1.00 0.26 C ATOM 1063 O GLN A 70 11.659 -3.100 -9.183 1.00 0.33 O ATOM 1064 CB GLN A 70 11.844 -2.320 -12.495 1.00 0.34 C ATOM 1065 CG GLN A 70 13.283 -1.895 -12.266 1.00 0.43 C ATOM 1066 CD GLN A 70 13.733 -0.830 -13.244 1.00 0.96 C ATOM 1067 OE1 GLN A 70 14.195 -1.132 -14.342 1.00 1.51 O ATOM 1068 NE2 GLN A 70 13.619 0.423 -12.847 1.00 1.30 N ATOM 0 H GLN A 70 9.777 -3.652 -12.874 1.00 0.32 H new ATOM 0 HA GLN A 70 12.189 -4.120 -11.379 1.00 0.31 H new ATOM 0 HB2 GLN A 70 11.736 -2.672 -13.521 1.00 0.34 H new ATOM 0 HB3 GLN A 70 11.195 -1.451 -12.386 1.00 0.34 H new ATOM 0 HG2 GLN A 70 13.390 -1.519 -11.249 1.00 0.43 H new ATOM 0 HG3 GLN A 70 13.934 -2.764 -12.355 1.00 0.43 H new ATOM 0 HE21 GLN A 70 13.230 0.633 -11.928 1.00 1.30 H new ATOM 0 HE22 GLN A 70 13.920 1.181 -13.459 1.00 1.30 H new ATOM 1077 N TYR A 71 9.941 -2.013 -10.139 1.00 0.23 N ATOM 1078 CA TYR A 71 9.537 -1.388 -8.876 1.00 0.27 C ATOM 1079 C TYR A 71 9.011 -2.422 -7.885 1.00 0.24 C ATOM 1080 O TYR A 71 8.921 -2.157 -6.687 1.00 0.29 O ATOM 1081 CB TYR A 71 8.521 -0.250 -9.091 1.00 0.37 C ATOM 1082 CG TYR A 71 7.227 -0.619 -9.797 1.00 0.44 C ATOM 1083 CD1 TYR A 71 6.279 -1.443 -9.200 1.00 0.53 C ATOM 1084 CD2 TYR A 71 6.940 -0.102 -11.051 1.00 0.67 C ATOM 1085 CE1 TYR A 71 5.088 -1.742 -9.837 1.00 0.77 C ATOM 1086 CE2 TYR A 71 5.758 -0.398 -11.696 1.00 0.86 C ATOM 1087 CZ TYR A 71 4.836 -1.216 -11.086 1.00 0.90 C ATOM 1088 OH TYR A 71 3.645 -1.495 -11.720 1.00 1.17 O ATOM 0 H TYR A 71 9.353 -1.784 -10.940 1.00 0.23 H new ATOM 0 HA TYR A 71 10.432 -0.939 -8.444 1.00 0.27 H new ATOM 0 HB2 TYR A 71 8.270 0.171 -8.118 1.00 0.37 H new ATOM 0 HB3 TYR A 71 9.009 0.539 -9.664 1.00 0.37 H new ATOM 0 HD1 TYR A 71 6.476 -1.857 -8.222 1.00 0.53 H new ATOM 0 HD2 TYR A 71 7.657 0.546 -11.533 1.00 0.67 H new ATOM 0 HE1 TYR A 71 4.361 -2.383 -9.359 1.00 0.77 H new ATOM 0 HE2 TYR A 71 5.557 0.010 -12.675 1.00 0.86 H new ATOM 0 HH TYR A 71 3.625 -1.047 -12.591 1.00 1.17 H new ATOM 1098 N MET A 72 8.670 -3.600 -8.389 1.00 0.24 N ATOM 1099 CA MET A 72 8.182 -4.683 -7.545 1.00 0.28 C ATOM 1100 C MET A 72 9.356 -5.409 -6.905 1.00 0.31 C ATOM 1101 O MET A 72 9.183 -6.197 -5.979 1.00 0.44 O ATOM 1102 CB MET A 72 7.346 -5.676 -8.352 1.00 0.36 C ATOM 1103 CG MET A 72 5.867 -5.329 -8.403 1.00 0.39 C ATOM 1104 SD MET A 72 4.879 -6.618 -9.192 1.00 0.51 S ATOM 1105 CE MET A 72 3.222 -6.001 -8.899 1.00 0.70 C ATOM 0 H MET A 72 8.722 -3.831 -9.381 1.00 0.24 H new ATOM 0 HA MET A 72 7.550 -4.250 -6.770 1.00 0.28 H new ATOM 0 HB2 MET A 72 7.735 -5.722 -9.369 1.00 0.36 H new ATOM 0 HB3 MET A 72 7.462 -6.670 -7.921 1.00 0.36 H new ATOM 0 HG2 MET A 72 5.501 -5.165 -7.390 1.00 0.39 H new ATOM 0 HG3 MET A 72 5.736 -4.393 -8.945 1.00 0.39 H new ATOM 0 HE1 MET A 72 2.496 -6.691 -9.329 1.00 0.70 H new ATOM 0 HE2 MET A 72 3.050 -5.915 -7.826 1.00 0.70 H new ATOM 0 HE3 MET A 72 3.111 -5.021 -9.364 1.00 0.70 H new ATOM 1115 N ARG A 73 10.552 -5.136 -7.407 1.00 0.25 N ATOM 1116 CA ARG A 73 11.765 -5.762 -6.901 1.00 0.30 C ATOM 1117 C ARG A 73 12.441 -4.879 -5.856 1.00 0.27 C ATOM 1118 O ARG A 73 12.733 -5.328 -4.748 1.00 0.34 O ATOM 1119 CB ARG A 73 12.738 -6.025 -8.051 1.00 0.37 C ATOM 1120 CG ARG A 73 13.052 -7.495 -8.271 1.00 0.45 C ATOM 1121 CD ARG A 73 13.873 -7.701 -9.536 1.00 0.50 C ATOM 1122 NE ARG A 73 13.148 -7.281 -10.738 1.00 0.80 N ATOM 1123 CZ ARG A 73 13.740 -6.886 -11.862 1.00 0.81 C ATOM 1124 NH1 ARG A 73 15.067 -6.852 -11.945 1.00 1.19 N ATOM 1125 NH2 ARG A 73 12.999 -6.525 -12.902 1.00 1.29 N ATOM 0 H ARG A 73 10.708 -4.479 -8.171 1.00 0.25 H new ATOM 0 HA ARG A 73 11.487 -6.706 -6.433 1.00 0.30 H new ATOM 0 HB2 ARG A 73 12.320 -5.612 -8.969 1.00 0.37 H new ATOM 0 HB3 ARG A 73 13.668 -5.491 -7.856 1.00 0.37 H new ATOM 0 HG2 ARG A 73 13.599 -7.885 -7.412 1.00 0.45 H new ATOM 0 HG3 ARG A 73 12.123 -8.061 -8.341 1.00 0.45 H new ATOM 0 HD2 ARG A 73 14.804 -7.139 -9.459 1.00 0.50 H new ATOM 0 HD3 ARG A 73 14.143 -8.753 -9.625 1.00 0.50 H new ATOM 0 HE ARG A 73 12.128 -7.292 -10.711 1.00 0.80 H new ATOM 0 HH11 ARG A 73 15.635 -7.130 -11.145 1.00 1.19 H new ATOM 0 HH12 ARG A 73 15.516 -6.548 -12.809 1.00 1.19 H new ATOM 0 HH21 ARG A 73 11.981 -6.551 -12.837 1.00 1.29 H new ATOM 0 HH22 ARG A 73 13.447 -6.221 -13.767 1.00 1.29 H new ATOM 1139 N THR A 74 12.672 -3.621 -6.214 1.00 0.23 N ATOM 1140 CA THR A 74 13.332 -2.670 -5.326 1.00 0.23 C ATOM 1141 C THR A 74 12.452 -2.289 -4.136 1.00 0.20 C ATOM 1142 O THR A 74 12.953 -1.814 -3.116 1.00 0.24 O ATOM 1143 CB THR A 74 13.719 -1.392 -6.090 1.00 0.26 C ATOM 1144 OG1 THR A 74 13.777 -1.676 -7.499 1.00 0.64 O ATOM 1145 CG2 THR A 74 15.069 -0.865 -5.612 1.00 0.72 C ATOM 0 H THR A 74 12.410 -3.233 -7.120 1.00 0.23 H new ATOM 0 HA THR A 74 14.228 -3.164 -4.949 1.00 0.23 H new ATOM 0 HB THR A 74 12.965 -0.628 -5.900 1.00 0.26 H new ATOM 0 HG1 THR A 74 14.022 -0.862 -7.987 1.00 0.64 H new ATOM 0 HG21 THR A 74 15.323 0.039 -6.165 1.00 0.72 H new ATOM 0 HG22 THR A 74 15.014 -0.636 -4.548 1.00 0.72 H new ATOM 0 HG23 THR A 74 15.835 -1.621 -5.781 1.00 0.72 H new ATOM 1153 N GLY A 75 11.148 -2.499 -4.268 1.00 0.17 N ATOM 1154 CA GLY A 75 10.234 -2.166 -3.192 1.00 0.16 C ATOM 1155 C GLY A 75 10.507 -2.960 -1.931 1.00 0.14 C ATOM 1156 O GLY A 75 10.627 -4.187 -1.975 1.00 0.19 O ATOM 0 H GLY A 75 10.708 -2.893 -5.099 1.00 0.17 H new ATOM 0 HA2 GLY A 75 10.311 -1.101 -2.971 1.00 0.16 H new ATOM 0 HA3 GLY A 75 9.211 -2.350 -3.519 1.00 0.16 H new ATOM 1160 N GLU A 76 10.622 -2.259 -0.812 1.00 0.16 N ATOM 1161 CA GLU A 76 10.877 -2.899 0.467 1.00 0.20 C ATOM 1162 C GLU A 76 9.559 -3.232 1.155 1.00 0.23 C ATOM 1163 O GLU A 76 9.352 -4.352 1.619 1.00 0.34 O ATOM 1164 CB GLU A 76 11.721 -1.985 1.362 1.00 0.26 C ATOM 1165 CG GLU A 76 13.079 -1.621 0.779 1.00 0.30 C ATOM 1166 CD GLU A 76 13.858 -0.665 1.664 1.00 0.34 C ATOM 1167 OE1 GLU A 76 13.677 0.567 1.531 1.00 0.43 O ATOM 1168 OE2 GLU A 76 14.661 -1.137 2.495 1.00 0.54 O ATOM 0 H GLU A 76 10.542 -1.243 -0.766 1.00 0.16 H new ATOM 0 HA GLU A 76 11.430 -3.822 0.292 1.00 0.20 H new ATOM 0 HB2 GLU A 76 11.163 -1.068 1.555 1.00 0.26 H new ATOM 0 HB3 GLU A 76 11.871 -2.475 2.324 1.00 0.26 H new ATOM 0 HG2 GLU A 76 13.662 -2.530 0.631 1.00 0.30 H new ATOM 0 HG3 GLU A 76 12.939 -1.169 -0.203 1.00 0.30 H new ATOM 1175 N GLY A 77 8.668 -2.253 1.205 1.00 0.21 N ATOM 1176 CA GLY A 77 7.380 -2.454 1.828 1.00 0.23 C ATOM 1177 C GLY A 77 6.245 -2.231 0.855 1.00 0.17 C ATOM 1178 O GLY A 77 6.193 -1.199 0.179 1.00 0.26 O ATOM 0 H GLY A 77 8.817 -1.319 0.823 1.00 0.21 H new ATOM 0 HA2 GLY A 77 7.323 -3.467 2.227 1.00 0.23 H new ATOM 0 HA3 GLY A 77 7.274 -1.773 2.672 1.00 0.23 H new ATOM 1182 N PHE A 78 5.337 -3.189 0.778 1.00 0.11 N ATOM 1183 CA PHE A 78 4.204 -3.086 -0.128 1.00 0.17 C ATOM 1184 C PHE A 78 2.910 -2.909 0.651 1.00 0.17 C ATOM 1185 O PHE A 78 2.606 -3.679 1.565 1.00 0.20 O ATOM 1186 CB PHE A 78 4.114 -4.322 -1.025 1.00 0.24 C ATOM 1187 CG PHE A 78 5.212 -4.416 -2.043 1.00 0.28 C ATOM 1188 CD1 PHE A 78 6.475 -4.841 -1.674 1.00 0.29 C ATOM 1189 CD2 PHE A 78 4.982 -4.081 -3.370 1.00 0.43 C ATOM 1190 CE1 PHE A 78 7.491 -4.929 -2.603 1.00 0.35 C ATOM 1191 CE2 PHE A 78 5.995 -4.169 -4.305 1.00 0.48 C ATOM 1192 CZ PHE A 78 7.252 -4.593 -3.920 1.00 0.40 C ATOM 0 H PHE A 78 5.361 -4.046 1.331 1.00 0.11 H new ATOM 0 HA PHE A 78 4.354 -2.210 -0.759 1.00 0.17 H new ATOM 0 HB2 PHE A 78 4.134 -5.215 -0.400 1.00 0.24 H new ATOM 0 HB3 PHE A 78 3.154 -4.316 -1.540 1.00 0.24 H new ATOM 0 HD1 PHE A 78 6.669 -5.107 -0.645 1.00 0.29 H new ATOM 0 HD2 PHE A 78 4.001 -3.748 -3.675 1.00 0.43 H new ATOM 0 HE1 PHE A 78 8.473 -5.261 -2.300 1.00 0.35 H new ATOM 0 HE2 PHE A 78 5.805 -3.907 -5.335 1.00 0.48 H new ATOM 0 HZ PHE A 78 8.046 -4.661 -4.648 1.00 0.40 H new ATOM 1202 N LEU A 79 2.155 -1.889 0.292 1.00 0.19 N ATOM 1203 CA LEU A 79 0.896 -1.614 0.950 1.00 0.20 C ATOM 1204 C LEU A 79 -0.236 -2.263 0.169 1.00 0.21 C ATOM 1205 O LEU A 79 -0.559 -1.840 -0.941 1.00 0.24 O ATOM 1206 CB LEU A 79 0.678 -0.106 1.067 1.00 0.23 C ATOM 1207 CG LEU A 79 -0.233 0.337 2.213 1.00 0.26 C ATOM 1208 CD1 LEU A 79 0.452 0.122 3.555 1.00 0.37 C ATOM 1209 CD2 LEU A 79 -0.622 1.797 2.040 1.00 0.27 C ATOM 0 H LEU A 79 2.394 -1.236 -0.454 1.00 0.19 H new ATOM 0 HA LEU A 79 0.915 -2.032 1.957 1.00 0.20 H new ATOM 0 HB2 LEU A 79 1.648 0.376 1.189 1.00 0.23 H new ATOM 0 HB3 LEU A 79 0.257 0.257 0.129 1.00 0.23 H new ATOM 0 HG LEU A 79 -1.138 -0.270 2.192 1.00 0.26 H new ATOM 0 HD11 LEU A 79 -0.212 0.443 4.358 1.00 0.37 H new ATOM 0 HD12 LEU A 79 0.686 -0.935 3.679 1.00 0.37 H new ATOM 0 HD13 LEU A 79 1.373 0.704 3.591 1.00 0.37 H new ATOM 0 HD21 LEU A 79 -1.270 2.101 2.862 1.00 0.27 H new ATOM 0 HD22 LEU A 79 0.276 2.415 2.039 1.00 0.27 H new ATOM 0 HD23 LEU A 79 -1.151 1.923 1.095 1.00 0.27 H new ATOM 1221 N CYS A 80 -0.803 -3.312 0.739 1.00 0.21 N ATOM 1222 CA CYS A 80 -1.894 -4.039 0.108 1.00 0.25 C ATOM 1223 C CYS A 80 -3.225 -3.421 0.508 1.00 0.24 C ATOM 1224 O CYS A 80 -3.790 -3.764 1.546 1.00 0.28 O ATOM 1225 CB CYS A 80 -1.849 -5.508 0.529 1.00 0.31 C ATOM 1226 SG CYS A 80 -0.191 -6.102 0.950 1.00 0.61 S ATOM 0 H CYS A 80 -0.523 -3.683 1.647 1.00 0.21 H new ATOM 0 HA CYS A 80 -1.787 -3.978 -0.975 1.00 0.25 H new ATOM 0 HB2 CYS A 80 -2.504 -5.649 1.389 1.00 0.31 H new ATOM 0 HB3 CYS A 80 -2.249 -6.120 -0.280 1.00 0.31 H new ATOM 0 HG CYS A 80 -0.253 -7.354 1.296 1.00 0.61 H new ATOM 1232 N VAL A 81 -3.727 -2.510 -0.312 1.00 0.29 N ATOM 1233 CA VAL A 81 -4.983 -1.841 -0.002 1.00 0.33 C ATOM 1234 C VAL A 81 -6.114 -2.275 -0.926 1.00 0.30 C ATOM 1235 O VAL A 81 -5.926 -2.452 -2.133 1.00 0.36 O ATOM 1236 CB VAL A 81 -4.850 -0.305 -0.074 1.00 0.44 C ATOM 1237 CG1 VAL A 81 -5.942 0.363 0.743 1.00 0.59 C ATOM 1238 CG2 VAL A 81 -3.477 0.151 0.401 1.00 0.42 C ATOM 0 H VAL A 81 -3.291 -2.219 -1.187 1.00 0.29 H new ATOM 0 HA VAL A 81 -5.226 -2.137 1.019 1.00 0.33 H new ATOM 0 HB VAL A 81 -4.962 -0.007 -1.117 1.00 0.44 H new ATOM 0 HG11 VAL A 81 -5.832 1.446 0.681 1.00 0.59 H new ATOM 0 HG12 VAL A 81 -6.917 0.074 0.352 1.00 0.59 H new ATOM 0 HG13 VAL A 81 -5.861 0.050 1.784 1.00 0.59 H new ATOM 0 HG21 VAL A 81 -3.413 1.237 0.339 1.00 0.42 H new ATOM 0 HG22 VAL A 81 -3.327 -0.163 1.434 1.00 0.42 H new ATOM 0 HG23 VAL A 81 -2.707 -0.295 -0.229 1.00 0.42 H new ATOM 1248 N PHE A 82 -7.288 -2.450 -0.338 1.00 0.26 N ATOM 1249 CA PHE A 82 -8.486 -2.825 -1.073 1.00 0.26 C ATOM 1250 C PHE A 82 -9.645 -1.955 -0.600 1.00 0.25 C ATOM 1251 O PHE A 82 -9.466 -1.109 0.279 1.00 0.25 O ATOM 1252 CB PHE A 82 -8.813 -4.317 -0.884 1.00 0.28 C ATOM 1253 CG PHE A 82 -9.187 -4.704 0.523 1.00 0.27 C ATOM 1254 CD1 PHE A 82 -8.220 -5.118 1.424 1.00 0.31 C ATOM 1255 CD2 PHE A 82 -10.507 -4.657 0.941 1.00 0.30 C ATOM 1256 CE1 PHE A 82 -8.564 -5.475 2.714 1.00 0.34 C ATOM 1257 CE2 PHE A 82 -10.854 -5.013 2.229 1.00 0.30 C ATOM 1258 CZ PHE A 82 -9.882 -5.422 3.116 1.00 0.30 C ATOM 0 H PHE A 82 -7.437 -2.336 0.665 1.00 0.26 H new ATOM 0 HA PHE A 82 -8.317 -2.665 -2.138 1.00 0.26 H new ATOM 0 HB2 PHE A 82 -9.634 -4.583 -1.550 1.00 0.28 H new ATOM 0 HB3 PHE A 82 -7.949 -4.907 -1.191 1.00 0.28 H new ATOM 0 HD1 PHE A 82 -7.186 -5.162 1.115 1.00 0.31 H new ATOM 0 HD2 PHE A 82 -11.274 -4.338 0.251 1.00 0.30 H new ATOM 0 HE1 PHE A 82 -7.800 -5.796 3.407 1.00 0.34 H new ATOM 0 HE2 PHE A 82 -11.887 -4.971 2.541 1.00 0.30 H new ATOM 0 HZ PHE A 82 -10.152 -5.700 4.124 1.00 0.30 H new ATOM 1268 N ALA A 83 -10.817 -2.149 -1.179 1.00 0.28 N ATOM 1269 CA ALA A 83 -11.990 -1.384 -0.792 1.00 0.27 C ATOM 1270 C ALA A 83 -12.996 -2.297 -0.104 1.00 0.28 C ATOM 1271 O ALA A 83 -13.335 -3.358 -0.629 1.00 0.31 O ATOM 1272 CB ALA A 83 -12.605 -0.710 -2.010 1.00 0.32 C ATOM 0 H ALA A 83 -10.982 -2.831 -1.920 1.00 0.28 H new ATOM 0 HA ALA A 83 -11.696 -0.604 -0.090 1.00 0.27 H new ATOM 0 HB1 ALA A 83 -13.483 -0.140 -1.706 1.00 0.32 H new ATOM 0 HB2 ALA A 83 -11.875 -0.038 -2.462 1.00 0.32 H new ATOM 0 HB3 ALA A 83 -12.898 -1.468 -2.736 1.00 0.32 H new ATOM 1278 N ILE A 84 -13.474 -1.887 1.068 1.00 0.28 N ATOM 1279 CA ILE A 84 -14.432 -2.691 1.831 1.00 0.31 C ATOM 1280 C ILE A 84 -15.778 -2.787 1.112 1.00 0.31 C ATOM 1281 O ILE A 84 -16.617 -3.627 1.447 1.00 0.33 O ATOM 1282 CB ILE A 84 -14.651 -2.137 3.259 1.00 0.37 C ATOM 1283 CG1 ILE A 84 -15.232 -0.723 3.205 1.00 0.54 C ATOM 1284 CG2 ILE A 84 -13.344 -2.149 4.041 1.00 0.53 C ATOM 1285 CD1 ILE A 84 -16.288 -0.455 4.255 1.00 0.78 C ATOM 0 H ILE A 84 -13.216 -1.005 1.511 1.00 0.28 H new ATOM 0 HA ILE A 84 -13.998 -3.687 1.911 1.00 0.31 H new ATOM 0 HB ILE A 84 -15.366 -2.781 3.772 1.00 0.37 H new ATOM 0 HG12 ILE A 84 -14.423 -0.003 3.325 1.00 0.54 H new ATOM 0 HG13 ILE A 84 -15.664 -0.555 2.218 1.00 0.54 H new ATOM 0 HG21 ILE A 84 -13.516 -1.756 5.043 1.00 0.53 H new ATOM 0 HG22 ILE A 84 -12.971 -3.171 4.111 1.00 0.53 H new ATOM 0 HG23 ILE A 84 -12.608 -1.529 3.529 1.00 0.53 H new ATOM 0 HD11 ILE A 84 -16.652 0.567 4.153 1.00 0.78 H new ATOM 0 HD12 ILE A 84 -17.117 -1.150 4.123 1.00 0.78 H new ATOM 0 HD13 ILE A 84 -15.857 -0.589 5.247 1.00 0.78 H new ATOM 1297 N ASN A 85 -15.978 -1.928 0.121 1.00 0.33 N ATOM 1298 CA ASN A 85 -17.216 -1.920 -0.651 1.00 0.38 C ATOM 1299 C ASN A 85 -17.028 -2.648 -1.985 1.00 0.36 C ATOM 1300 O ASN A 85 -17.981 -2.837 -2.746 1.00 0.48 O ATOM 1301 CB ASN A 85 -17.699 -0.480 -0.898 1.00 0.51 C ATOM 1302 CG ASN A 85 -16.714 0.357 -1.695 1.00 0.62 C ATOM 1303 OD1 ASN A 85 -15.503 0.285 -1.488 1.00 0.68 O ATOM 1304 ND2 ASN A 85 -17.228 1.159 -2.614 1.00 0.82 N ATOM 0 H ASN A 85 -15.297 -1.226 -0.169 1.00 0.33 H new ATOM 0 HA ASN A 85 -17.975 -2.445 -0.071 1.00 0.38 H new ATOM 0 HB2 ASN A 85 -18.651 -0.510 -1.427 1.00 0.51 H new ATOM 0 HB3 ASN A 85 -17.883 0.004 0.061 1.00 0.51 H new ATOM 0 HD21 ASN A 85 -16.615 1.745 -3.180 1.00 0.82 H new ATOM 0 HD22 ASN A 85 -18.238 1.191 -2.756 1.00 0.82 H new ATOM 1311 N ASN A 86 -15.799 -3.066 -2.255 1.00 0.34 N ATOM 1312 CA ASN A 86 -15.480 -3.767 -3.495 1.00 0.39 C ATOM 1313 C ASN A 86 -14.867 -5.129 -3.188 1.00 0.33 C ATOM 1314 O ASN A 86 -13.686 -5.237 -2.860 1.00 0.33 O ATOM 1315 CB ASN A 86 -14.525 -2.933 -4.355 1.00 0.53 C ATOM 1316 CG ASN A 86 -14.364 -3.494 -5.756 1.00 0.64 C ATOM 1317 OD1 ASN A 86 -13.556 -4.390 -5.984 1.00 1.07 O ATOM 1318 ND2 ASN A 86 -15.125 -2.964 -6.705 1.00 0.98 N ATOM 0 H ASN A 86 -15.003 -2.932 -1.631 1.00 0.34 H new ATOM 0 HA ASN A 86 -16.403 -3.917 -4.055 1.00 0.39 H new ATOM 0 HB2 ASN A 86 -14.897 -1.910 -4.417 1.00 0.53 H new ATOM 0 HB3 ASN A 86 -13.550 -2.889 -3.871 1.00 0.53 H new ATOM 0 HD21 ASN A 86 -15.051 -3.300 -7.665 1.00 0.98 H new ATOM 0 HD22 ASN A 86 -15.784 -2.221 -6.474 1.00 0.98 H new ATOM 1325 N THR A 87 -15.676 -6.167 -3.308 1.00 0.33 N ATOM 1326 CA THR A 87 -15.243 -7.523 -3.023 1.00 0.32 C ATOM 1327 C THR A 87 -14.187 -8.009 -4.020 1.00 0.30 C ATOM 1328 O THR A 87 -13.346 -8.852 -3.694 1.00 0.30 O ATOM 1329 CB THR A 87 -16.447 -8.469 -3.051 1.00 0.38 C ATOM 1330 OG1 THR A 87 -17.656 -7.692 -3.066 1.00 0.65 O ATOM 1331 CG2 THR A 87 -16.443 -9.387 -1.841 1.00 0.57 C ATOM 0 H THR A 87 -16.649 -6.094 -3.605 1.00 0.33 H new ATOM 0 HA THR A 87 -14.791 -7.522 -2.031 1.00 0.32 H new ATOM 0 HB THR A 87 -16.389 -9.086 -3.947 1.00 0.38 H new ATOM 0 HG1 THR A 87 -17.702 -7.142 -2.256 1.00 0.65 H new ATOM 0 HG21 THR A 87 -17.308 -10.049 -1.884 1.00 0.57 H new ATOM 0 HG22 THR A 87 -15.530 -9.982 -1.839 1.00 0.57 H new ATOM 0 HG23 THR A 87 -16.488 -8.789 -0.931 1.00 0.57 H new ATOM 1339 N LYS A 88 -14.217 -7.452 -5.224 1.00 0.33 N ATOM 1340 CA LYS A 88 -13.270 -7.832 -6.262 1.00 0.35 C ATOM 1341 C LYS A 88 -11.847 -7.441 -5.867 1.00 0.30 C ATOM 1342 O LYS A 88 -10.913 -8.221 -6.039 1.00 0.36 O ATOM 1343 CB LYS A 88 -13.659 -7.180 -7.592 1.00 0.42 C ATOM 1344 CG LYS A 88 -12.805 -7.622 -8.776 1.00 0.49 C ATOM 1345 CD LYS A 88 -12.698 -9.137 -8.861 1.00 0.71 C ATOM 1346 CE LYS A 88 -12.339 -9.599 -10.263 1.00 0.89 C ATOM 1347 NZ LYS A 88 -13.519 -9.599 -11.163 1.00 0.82 N ATOM 0 H LYS A 88 -14.887 -6.736 -5.505 1.00 0.33 H new ATOM 0 HA LYS A 88 -13.301 -8.915 -6.381 1.00 0.35 H new ATOM 0 HB2 LYS A 88 -14.703 -7.410 -7.805 1.00 0.42 H new ATOM 0 HB3 LYS A 88 -13.585 -6.097 -7.489 1.00 0.42 H new ATOM 0 HG2 LYS A 88 -13.236 -7.236 -9.700 1.00 0.49 H new ATOM 0 HG3 LYS A 88 -11.808 -7.192 -8.686 1.00 0.49 H new ATOM 0 HD2 LYS A 88 -11.943 -9.488 -8.158 1.00 0.71 H new ATOM 0 HD3 LYS A 88 -13.645 -9.586 -8.562 1.00 0.71 H new ATOM 0 HE2 LYS A 88 -11.568 -8.947 -10.674 1.00 0.89 H new ATOM 0 HE3 LYS A 88 -11.916 -10.603 -10.218 1.00 0.89 H new ATOM 0 HZ1 LYS A 88 -13.233 -9.920 -12.110 1.00 0.82 H new ATOM 0 HZ2 LYS A 88 -14.245 -10.241 -10.784 1.00 0.82 H new ATOM 0 HZ3 LYS A 88 -13.907 -8.636 -11.226 1.00 0.82 H new ATOM 1361 N SER A 89 -11.689 -6.246 -5.314 1.00 0.27 N ATOM 1362 CA SER A 89 -10.378 -5.765 -4.900 1.00 0.27 C ATOM 1363 C SER A 89 -9.827 -6.598 -3.745 1.00 0.25 C ATOM 1364 O SER A 89 -8.614 -6.744 -3.599 1.00 0.32 O ATOM 1365 CB SER A 89 -10.446 -4.284 -4.513 1.00 0.33 C ATOM 1366 OG SER A 89 -11.269 -4.077 -3.380 1.00 0.64 O ATOM 0 H SER A 89 -12.452 -5.592 -5.142 1.00 0.27 H new ATOM 0 HA SER A 89 -9.698 -5.871 -5.745 1.00 0.27 H new ATOM 0 HB2 SER A 89 -9.441 -3.915 -4.305 1.00 0.33 H new ATOM 0 HB3 SER A 89 -10.831 -3.705 -5.353 1.00 0.33 H new ATOM 0 HG SER A 89 -12.079 -4.623 -3.460 1.00 0.64 H new ATOM 1372 N PHE A 90 -10.723 -7.156 -2.939 1.00 0.24 N ATOM 1373 CA PHE A 90 -10.324 -7.978 -1.807 1.00 0.25 C ATOM 1374 C PHE A 90 -9.792 -9.325 -2.286 1.00 0.27 C ATOM 1375 O PHE A 90 -8.819 -9.854 -1.750 1.00 0.28 O ATOM 1376 CB PHE A 90 -11.501 -8.187 -0.853 1.00 0.29 C ATOM 1377 CG PHE A 90 -11.164 -9.047 0.333 1.00 0.29 C ATOM 1378 CD1 PHE A 90 -10.131 -8.695 1.189 1.00 0.26 C ATOM 1379 CD2 PHE A 90 -11.873 -10.209 0.587 1.00 0.38 C ATOM 1380 CE1 PHE A 90 -9.813 -9.486 2.275 1.00 0.31 C ATOM 1381 CE2 PHE A 90 -11.560 -11.005 1.675 1.00 0.42 C ATOM 1382 CZ PHE A 90 -10.529 -10.642 2.518 1.00 0.39 C ATOM 0 H PHE A 90 -11.732 -7.053 -3.050 1.00 0.24 H new ATOM 0 HA PHE A 90 -9.529 -7.458 -1.272 1.00 0.25 H new ATOM 0 HB2 PHE A 90 -11.850 -7.216 -0.501 1.00 0.29 H new ATOM 0 HB3 PHE A 90 -12.326 -8.643 -1.400 1.00 0.29 H new ATOM 0 HD1 PHE A 90 -9.569 -7.792 1.004 1.00 0.26 H new ATOM 0 HD2 PHE A 90 -12.679 -10.497 -0.071 1.00 0.38 H new ATOM 0 HE1 PHE A 90 -9.006 -9.201 2.933 1.00 0.31 H new ATOM 0 HE2 PHE A 90 -12.121 -11.908 1.864 1.00 0.42 H new ATOM 0 HZ PHE A 90 -10.282 -11.262 3.367 1.00 0.39 H new ATOM 1392 N GLU A 91 -10.433 -9.878 -3.302 1.00 0.32 N ATOM 1393 CA GLU A 91 -10.015 -11.158 -3.849 1.00 0.40 C ATOM 1394 C GLU A 91 -8.749 -10.997 -4.676 1.00 0.39 C ATOM 1395 O GLU A 91 -7.916 -11.903 -4.745 1.00 0.49 O ATOM 1396 CB GLU A 91 -11.132 -11.776 -4.686 1.00 0.51 C ATOM 1397 CG GLU A 91 -12.133 -12.564 -3.859 1.00 0.59 C ATOM 1398 CD GLU A 91 -11.480 -13.671 -3.057 1.00 0.75 C ATOM 1399 OE1 GLU A 91 -11.561 -13.637 -1.808 1.00 1.44 O ATOM 1400 OE2 GLU A 91 -10.879 -14.578 -3.668 1.00 1.09 O ATOM 0 H GLU A 91 -11.242 -9.462 -3.764 1.00 0.32 H new ATOM 0 HA GLU A 91 -9.799 -11.832 -3.020 1.00 0.40 H new ATOM 0 HB2 GLU A 91 -11.656 -10.985 -5.222 1.00 0.51 H new ATOM 0 HB3 GLU A 91 -10.694 -12.433 -5.437 1.00 0.51 H new ATOM 0 HG2 GLU A 91 -12.652 -11.887 -3.181 1.00 0.59 H new ATOM 0 HG3 GLU A 91 -12.886 -12.994 -4.519 1.00 0.59 H new ATOM 1407 N ASP A 92 -8.590 -9.822 -5.271 1.00 0.35 N ATOM 1408 CA ASP A 92 -7.421 -9.529 -6.095 1.00 0.37 C ATOM 1409 C ASP A 92 -6.157 -9.466 -5.240 1.00 0.31 C ATOM 1410 O ASP A 92 -5.042 -9.546 -5.755 1.00 0.31 O ATOM 1411 CB ASP A 92 -7.617 -8.211 -6.844 1.00 0.43 C ATOM 1412 CG ASP A 92 -6.853 -8.172 -8.150 1.00 0.53 C ATOM 1413 OD1 ASP A 92 -6.854 -9.190 -8.875 1.00 1.02 O ATOM 1414 OD2 ASP A 92 -6.270 -7.117 -8.473 1.00 0.99 O ATOM 0 H ASP A 92 -9.257 -9.054 -5.199 1.00 0.35 H new ATOM 0 HA ASP A 92 -7.305 -10.334 -6.821 1.00 0.37 H new ATOM 0 HB2 ASP A 92 -8.679 -8.063 -7.042 1.00 0.43 H new ATOM 0 HB3 ASP A 92 -7.293 -7.385 -6.211 1.00 0.43 H new ATOM 1419 N ILE A 93 -6.348 -9.331 -3.929 1.00 0.28 N ATOM 1420 CA ILE A 93 -5.241 -9.276 -2.978 1.00 0.25 C ATOM 1421 C ILE A 93 -4.377 -10.535 -3.093 1.00 0.24 C ATOM 1422 O ILE A 93 -3.153 -10.476 -2.950 1.00 0.25 O ATOM 1423 CB ILE A 93 -5.756 -9.131 -1.518 1.00 0.29 C ATOM 1424 CG1 ILE A 93 -6.433 -7.771 -1.307 1.00 0.32 C ATOM 1425 CG2 ILE A 93 -4.628 -9.320 -0.510 1.00 0.35 C ATOM 1426 CD1 ILE A 93 -5.521 -6.585 -1.545 1.00 0.42 C ATOM 0 H ILE A 93 -7.270 -9.257 -3.498 1.00 0.28 H new ATOM 0 HA ILE A 93 -4.641 -8.399 -3.221 1.00 0.25 H new ATOM 0 HB ILE A 93 -6.494 -9.916 -1.354 1.00 0.29 H new ATOM 0 HG12 ILE A 93 -7.291 -7.696 -1.975 1.00 0.32 H new ATOM 0 HG13 ILE A 93 -6.817 -7.722 -0.288 1.00 0.32 H new ATOM 0 HG21 ILE A 93 -5.021 -9.212 0.501 1.00 0.35 H new ATOM 0 HG22 ILE A 93 -4.198 -10.314 -0.628 1.00 0.35 H new ATOM 0 HG23 ILE A 93 -3.857 -8.568 -0.681 1.00 0.35 H new ATOM 0 HD11 ILE A 93 -6.074 -5.661 -1.376 1.00 0.42 H new ATOM 0 HD12 ILE A 93 -4.675 -6.633 -0.859 1.00 0.42 H new ATOM 0 HD13 ILE A 93 -5.157 -6.607 -2.572 1.00 0.42 H new ATOM 1438 N HIS A 94 -5.024 -11.666 -3.377 1.00 0.26 N ATOM 1439 CA HIS A 94 -4.324 -12.942 -3.521 1.00 0.30 C ATOM 1440 C HIS A 94 -3.342 -12.887 -4.681 1.00 0.30 C ATOM 1441 O HIS A 94 -2.186 -13.293 -4.553 1.00 0.38 O ATOM 1442 CB HIS A 94 -5.312 -14.086 -3.774 1.00 0.35 C ATOM 1443 CG HIS A 94 -6.063 -14.546 -2.566 1.00 0.46 C ATOM 1444 ND1 HIS A 94 -5.554 -15.447 -1.654 1.00 0.73 N ATOM 1445 CD2 HIS A 94 -7.309 -14.245 -2.135 1.00 0.70 C ATOM 1446 CE1 HIS A 94 -6.454 -15.676 -0.717 1.00 0.83 C ATOM 1447 NE2 HIS A 94 -7.526 -14.959 -0.986 1.00 0.79 N ATOM 0 H HIS A 94 -6.033 -11.724 -3.512 1.00 0.26 H new ATOM 0 HA HIS A 94 -3.788 -13.124 -2.590 1.00 0.30 H new ATOM 0 HB2 HIS A 94 -6.029 -13.767 -4.530 1.00 0.35 H new ATOM 0 HB3 HIS A 94 -4.766 -14.933 -4.189 1.00 0.35 H new ATOM 0 HD2 HIS A 94 -8.004 -13.568 -2.609 1.00 0.70 H new ATOM 0 HE1 HIS A 94 -6.333 -16.339 0.127 1.00 0.83 H new ATOM 0 HE2 HIS A 94 -8.380 -14.939 -0.429 1.00 0.79 H new ATOM 1456 N HIS A 95 -3.816 -12.365 -5.809 1.00 0.27 N ATOM 1457 CA HIS A 95 -3.009 -12.254 -7.018 1.00 0.30 C ATOM 1458 C HIS A 95 -1.741 -11.444 -6.768 1.00 0.26 C ATOM 1459 O HIS A 95 -0.642 -11.882 -7.103 1.00 0.26 O ATOM 1460 CB HIS A 95 -3.833 -11.608 -8.139 1.00 0.37 C ATOM 1461 CG HIS A 95 -3.036 -11.261 -9.361 1.00 0.50 C ATOM 1462 ND1 HIS A 95 -2.498 -12.211 -10.196 1.00 0.72 N ATOM 1463 CD2 HIS A 95 -2.679 -10.061 -9.876 1.00 0.65 C ATOM 1464 CE1 HIS A 95 -1.850 -11.616 -11.176 1.00 0.79 C ATOM 1465 NE2 HIS A 95 -1.946 -10.312 -11.004 1.00 0.72 N ATOM 0 H HIS A 95 -4.766 -12.009 -5.910 1.00 0.27 H new ATOM 0 HA HIS A 95 -2.712 -13.259 -7.319 1.00 0.30 H new ATOM 0 HB2 HIS A 95 -4.636 -12.288 -8.423 1.00 0.37 H new ATOM 0 HB3 HIS A 95 -4.302 -10.702 -7.755 1.00 0.37 H new ATOM 0 HD2 HIS A 95 -2.926 -9.090 -9.473 1.00 0.65 H new ATOM 0 HE1 HIS A 95 -1.329 -12.111 -11.982 1.00 0.79 H new ATOM 0 HE2 HIS A 95 -1.539 -9.603 -11.614 1.00 0.72 H new ATOM 1474 N TYR A 96 -1.898 -10.270 -6.171 1.00 0.29 N ATOM 1475 CA TYR A 96 -0.756 -9.403 -5.895 1.00 0.29 C ATOM 1476 C TYR A 96 0.214 -10.054 -4.914 1.00 0.24 C ATOM 1477 O TYR A 96 1.431 -9.933 -5.063 1.00 0.24 O ATOM 1478 CB TYR A 96 -1.221 -8.057 -5.353 1.00 0.38 C ATOM 1479 CG TYR A 96 -1.635 -7.093 -6.434 1.00 0.47 C ATOM 1480 CD1 TYR A 96 -0.878 -5.963 -6.702 1.00 1.04 C ATOM 1481 CD2 TYR A 96 -2.774 -7.315 -7.191 1.00 0.76 C ATOM 1482 CE1 TYR A 96 -1.249 -5.078 -7.694 1.00 1.17 C ATOM 1483 CE2 TYR A 96 -3.151 -6.437 -8.186 1.00 0.81 C ATOM 1484 CZ TYR A 96 -2.387 -5.319 -8.433 1.00 0.75 C ATOM 1485 OH TYR A 96 -2.758 -4.442 -9.423 1.00 0.91 O ATOM 0 H TYR A 96 -2.798 -9.896 -5.870 1.00 0.29 H new ATOM 0 HA TYR A 96 -0.231 -9.243 -6.837 1.00 0.29 H new ATOM 0 HB2 TYR A 96 -2.060 -8.216 -4.676 1.00 0.38 H new ATOM 0 HB3 TYR A 96 -0.418 -7.612 -4.766 1.00 0.38 H new ATOM 0 HD1 TYR A 96 0.015 -5.772 -6.126 1.00 1.04 H new ATOM 0 HD2 TYR A 96 -3.377 -8.190 -6.999 1.00 0.76 H new ATOM 0 HE1 TYR A 96 -0.650 -4.201 -7.890 1.00 1.17 H new ATOM 0 HE2 TYR A 96 -4.041 -6.626 -8.768 1.00 0.81 H new ATOM 0 HH TYR A 96 -3.170 -3.649 -9.020 1.00 0.91 H new ATOM 1495 N ARG A 97 -0.337 -10.745 -3.921 1.00 0.25 N ATOM 1496 CA ARG A 97 0.470 -11.431 -2.911 1.00 0.25 C ATOM 1497 C ARG A 97 1.394 -12.446 -3.576 1.00 0.22 C ATOM 1498 O ARG A 97 2.603 -12.453 -3.339 1.00 0.29 O ATOM 1499 CB ARG A 97 -0.433 -12.141 -1.889 1.00 0.32 C ATOM 1500 CG ARG A 97 0.318 -12.988 -0.869 1.00 0.36 C ATOM 1501 CD ARG A 97 0.990 -12.132 0.191 1.00 0.39 C ATOM 1502 NE ARG A 97 1.755 -12.938 1.139 1.00 0.45 N ATOM 1503 CZ ARG A 97 2.558 -12.437 2.078 1.00 0.48 C ATOM 1504 NH1 ARG A 97 2.705 -11.122 2.211 1.00 0.48 N ATOM 1505 NH2 ARG A 97 3.204 -13.256 2.893 1.00 0.60 N ATOM 0 H ARG A 97 -1.344 -10.846 -3.792 1.00 0.25 H new ATOM 0 HA ARG A 97 1.072 -10.687 -2.390 1.00 0.25 H new ATOM 0 HB2 ARG A 97 -1.021 -11.392 -1.359 1.00 0.32 H new ATOM 0 HB3 ARG A 97 -1.137 -12.778 -2.425 1.00 0.32 H new ATOM 0 HG2 ARG A 97 -0.375 -13.681 -0.391 1.00 0.36 H new ATOM 0 HG3 ARG A 97 1.069 -13.590 -1.380 1.00 0.36 H new ATOM 0 HD2 ARG A 97 1.652 -11.412 -0.290 1.00 0.39 H new ATOM 0 HD3 ARG A 97 0.234 -11.560 0.729 1.00 0.39 H new ATOM 0 HE ARG A 97 1.669 -13.953 1.079 1.00 0.45 H new ATOM 0 HH11 ARG A 97 2.201 -10.487 1.592 1.00 0.48 H new ATOM 0 HH12 ARG A 97 3.322 -10.748 2.932 1.00 0.48 H new ATOM 0 HH21 ARG A 97 3.086 -14.265 2.801 1.00 0.60 H new ATOM 0 HH22 ARG A 97 3.820 -12.878 3.613 1.00 0.60 H new ATOM 1519 N GLU A 98 0.814 -13.286 -4.423 1.00 0.22 N ATOM 1520 CA GLU A 98 1.569 -14.313 -5.131 1.00 0.24 C ATOM 1521 C GLU A 98 2.541 -13.690 -6.134 1.00 0.23 C ATOM 1522 O GLU A 98 3.696 -14.115 -6.243 1.00 0.26 O ATOM 1523 CB GLU A 98 0.607 -15.255 -5.857 1.00 0.30 C ATOM 1524 CG GLU A 98 1.291 -16.413 -6.561 1.00 0.46 C ATOM 1525 CD GLU A 98 0.389 -17.088 -7.571 1.00 0.94 C ATOM 1526 OE1 GLU A 98 0.217 -16.541 -8.683 1.00 1.21 O ATOM 1527 OE2 GLU A 98 -0.160 -18.168 -7.258 1.00 1.35 O ATOM 0 H GLU A 98 -0.183 -13.276 -4.638 1.00 0.22 H new ATOM 0 HA GLU A 98 2.149 -14.876 -4.399 1.00 0.24 H new ATOM 0 HB2 GLU A 98 -0.109 -15.652 -5.137 1.00 0.30 H new ATOM 0 HB3 GLU A 98 0.038 -14.683 -6.590 1.00 0.30 H new ATOM 0 HG2 GLU A 98 2.188 -16.050 -7.064 1.00 0.46 H new ATOM 0 HG3 GLU A 98 1.615 -17.145 -5.821 1.00 0.46 H new ATOM 1534 N GLN A 99 2.068 -12.677 -6.851 1.00 0.23 N ATOM 1535 CA GLN A 99 2.866 -11.998 -7.866 1.00 0.25 C ATOM 1536 C GLN A 99 4.145 -11.397 -7.284 1.00 0.24 C ATOM 1537 O GLN A 99 5.246 -11.735 -7.715 1.00 0.26 O ATOM 1538 CB GLN A 99 2.038 -10.904 -8.540 1.00 0.30 C ATOM 1539 CG GLN A 99 2.757 -10.215 -9.685 1.00 0.33 C ATOM 1540 CD GLN A 99 1.820 -9.423 -10.574 1.00 0.63 C ATOM 1541 OE1 GLN A 99 0.788 -8.923 -10.128 1.00 1.15 O ATOM 1542 NE2 GLN A 99 2.179 -9.310 -11.841 1.00 1.08 N ATOM 0 H GLN A 99 1.124 -12.304 -6.746 1.00 0.23 H new ATOM 0 HA GLN A 99 3.158 -12.745 -8.604 1.00 0.25 H new ATOM 0 HB2 GLN A 99 1.111 -11.340 -8.914 1.00 0.30 H new ATOM 0 HB3 GLN A 99 1.762 -10.158 -7.795 1.00 0.30 H new ATOM 0 HG2 GLN A 99 3.518 -9.548 -9.281 1.00 0.33 H new ATOM 0 HG3 GLN A 99 3.275 -10.963 -10.285 1.00 0.33 H new ATOM 0 HE21 GLN A 99 3.044 -9.742 -12.166 1.00 1.08 H new ATOM 0 HE22 GLN A 99 1.591 -8.791 -12.493 1.00 1.08 H new ATOM 1551 N ILE A 100 3.997 -10.527 -6.293 1.00 0.24 N ATOM 1552 CA ILE A 100 5.146 -9.870 -5.681 1.00 0.26 C ATOM 1553 C ILE A 100 6.090 -10.886 -5.040 1.00 0.24 C ATOM 1554 O ILE A 100 7.312 -10.755 -5.138 1.00 0.24 O ATOM 1555 CB ILE A 100 4.701 -8.827 -4.632 1.00 0.32 C ATOM 1556 CG1 ILE A 100 3.842 -7.748 -5.299 1.00 0.39 C ATOM 1557 CG2 ILE A 100 5.907 -8.199 -3.946 1.00 0.34 C ATOM 1558 CD1 ILE A 100 3.053 -6.904 -4.322 1.00 0.51 C ATOM 0 H ILE A 100 3.096 -10.260 -5.897 1.00 0.24 H new ATOM 0 HA ILE A 100 5.683 -9.354 -6.477 1.00 0.26 H new ATOM 0 HB ILE A 100 4.106 -9.333 -3.871 1.00 0.32 H new ATOM 0 HG12 ILE A 100 4.487 -7.097 -5.889 1.00 0.39 H new ATOM 0 HG13 ILE A 100 3.150 -8.225 -5.993 1.00 0.39 H new ATOM 0 HG21 ILE A 100 5.568 -7.468 -3.212 1.00 0.34 H new ATOM 0 HG22 ILE A 100 6.486 -8.975 -3.445 1.00 0.34 H new ATOM 0 HG23 ILE A 100 6.532 -7.704 -4.690 1.00 0.34 H new ATOM 0 HD11 ILE A 100 2.470 -6.163 -4.869 1.00 0.51 H new ATOM 0 HD12 ILE A 100 2.381 -7.543 -3.749 1.00 0.51 H new ATOM 0 HD13 ILE A 100 3.738 -6.397 -3.643 1.00 0.51 H new ATOM 1570 N LYS A 101 5.523 -11.908 -4.408 1.00 0.25 N ATOM 1571 CA LYS A 101 6.329 -12.944 -3.769 1.00 0.27 C ATOM 1572 C LYS A 101 7.204 -13.659 -4.794 1.00 0.23 C ATOM 1573 O LYS A 101 8.358 -13.984 -4.520 1.00 0.27 O ATOM 1574 CB LYS A 101 5.437 -13.955 -3.048 1.00 0.34 C ATOM 1575 CG LYS A 101 5.084 -13.547 -1.627 1.00 0.78 C ATOM 1576 CD LYS A 101 4.166 -14.564 -0.960 1.00 0.76 C ATOM 1577 CE LYS A 101 4.856 -15.906 -0.770 1.00 0.97 C ATOM 1578 NZ LYS A 101 4.010 -16.866 -0.011 1.00 1.05 N ATOM 0 H LYS A 101 4.515 -12.042 -4.324 1.00 0.25 H new ATOM 0 HA LYS A 101 6.975 -12.461 -3.036 1.00 0.27 H new ATOM 0 HB2 LYS A 101 4.518 -14.088 -3.618 1.00 0.34 H new ATOM 0 HB3 LYS A 101 5.941 -14.921 -3.026 1.00 0.34 H new ATOM 0 HG2 LYS A 101 5.997 -13.442 -1.041 1.00 0.78 H new ATOM 0 HG3 LYS A 101 4.599 -12.571 -1.639 1.00 0.78 H new ATOM 0 HD2 LYS A 101 3.842 -14.182 0.008 1.00 0.76 H new ATOM 0 HD3 LYS A 101 3.270 -14.698 -1.566 1.00 0.76 H new ATOM 0 HE2 LYS A 101 5.100 -16.329 -1.744 1.00 0.97 H new ATOM 0 HE3 LYS A 101 5.798 -15.758 -0.242 1.00 0.97 H new ATOM 0 HZ1 LYS A 101 4.538 -17.749 0.140 1.00 1.05 H new ATOM 0 HZ2 LYS A 101 3.756 -16.453 0.909 1.00 1.05 H new ATOM 0 HZ3 LYS A 101 3.144 -17.068 -0.551 1.00 1.05 H new ATOM 1592 N ARG A 102 6.647 -13.892 -5.977 1.00 0.22 N ATOM 1593 CA ARG A 102 7.377 -14.557 -7.048 1.00 0.23 C ATOM 1594 C ARG A 102 8.436 -13.631 -7.643 1.00 0.21 C ATOM 1595 O ARG A 102 9.550 -14.064 -7.937 1.00 0.26 O ATOM 1596 CB ARG A 102 6.413 -15.021 -8.140 1.00 0.29 C ATOM 1597 CG ARG A 102 5.757 -16.361 -7.845 1.00 0.35 C ATOM 1598 CD ARG A 102 4.626 -16.648 -8.819 1.00 0.44 C ATOM 1599 NE ARG A 102 4.353 -18.081 -8.945 1.00 0.58 N ATOM 1600 CZ ARG A 102 3.510 -18.603 -9.840 1.00 0.75 C ATOM 1601 NH1 ARG A 102 2.856 -17.812 -10.685 1.00 0.89 N ATOM 1602 NH2 ARG A 102 3.328 -19.917 -9.894 1.00 0.91 N ATOM 0 H ARG A 102 5.691 -13.630 -6.218 1.00 0.22 H new ATOM 0 HA ARG A 102 7.879 -15.427 -6.625 1.00 0.23 H new ATOM 0 HB2 ARG A 102 5.637 -14.267 -8.272 1.00 0.29 H new ATOM 0 HB3 ARG A 102 6.953 -15.091 -9.084 1.00 0.29 H new ATOM 0 HG2 ARG A 102 6.502 -17.154 -7.905 1.00 0.35 H new ATOM 0 HG3 ARG A 102 5.371 -16.363 -6.826 1.00 0.35 H new ATOM 0 HD2 ARG A 102 3.723 -16.136 -8.485 1.00 0.44 H new ATOM 0 HD3 ARG A 102 4.880 -16.241 -9.798 1.00 0.44 H new ATOM 0 HE ARG A 102 4.835 -18.719 -8.312 1.00 0.58 H new ATOM 0 HH11 ARG A 102 2.997 -16.802 -10.651 1.00 0.89 H new ATOM 0 HH12 ARG A 102 2.213 -18.215 -11.367 1.00 0.89 H new ATOM 0 HH21 ARG A 102 3.832 -20.528 -9.252 1.00 0.91 H new ATOM 0 HH22 ARG A 102 2.684 -20.315 -10.578 1.00 0.91 H new ATOM 1616 N VAL A 103 8.087 -12.357 -7.801 1.00 0.21 N ATOM 1617 CA VAL A 103 9.003 -11.365 -8.365 1.00 0.23 C ATOM 1618 C VAL A 103 10.218 -11.151 -7.463 1.00 0.19 C ATOM 1619 O VAL A 103 11.359 -11.166 -7.930 1.00 0.21 O ATOM 1620 CB VAL A 103 8.286 -10.017 -8.598 1.00 0.27 C ATOM 1621 CG1 VAL A 103 9.271 -8.936 -9.019 1.00 0.35 C ATOM 1622 CG2 VAL A 103 7.197 -10.173 -9.646 1.00 0.35 C ATOM 0 H VAL A 103 7.172 -11.984 -7.546 1.00 0.21 H new ATOM 0 HA VAL A 103 9.346 -11.754 -9.324 1.00 0.23 H new ATOM 0 HB VAL A 103 7.830 -9.711 -7.656 1.00 0.27 H new ATOM 0 HG11 VAL A 103 8.737 -7.999 -9.176 1.00 0.35 H new ATOM 0 HG12 VAL A 103 10.019 -8.801 -8.238 1.00 0.35 H new ATOM 0 HG13 VAL A 103 9.763 -9.233 -9.945 1.00 0.35 H new ATOM 0 HG21 VAL A 103 6.700 -9.215 -9.800 1.00 0.35 H new ATOM 0 HG22 VAL A 103 7.640 -10.507 -10.584 1.00 0.35 H new ATOM 0 HG23 VAL A 103 6.468 -10.909 -9.307 1.00 0.35 H new ATOM 1632 N LYS A 104 9.969 -10.962 -6.171 1.00 0.17 N ATOM 1633 CA LYS A 104 11.042 -10.744 -5.211 1.00 0.16 C ATOM 1634 C LYS A 104 11.678 -12.063 -4.787 1.00 0.18 C ATOM 1635 O LYS A 104 12.714 -12.068 -4.122 1.00 0.28 O ATOM 1636 CB LYS A 104 10.525 -9.992 -3.985 1.00 0.18 C ATOM 1637 CG LYS A 104 10.381 -8.494 -4.210 1.00 0.26 C ATOM 1638 CD LYS A 104 9.919 -7.773 -2.951 1.00 0.32 C ATOM 1639 CE LYS A 104 11.040 -7.618 -1.934 1.00 0.51 C ATOM 1640 NZ LYS A 104 12.001 -6.548 -2.315 1.00 0.63 N ATOM 0 H LYS A 104 9.033 -10.956 -5.766 1.00 0.17 H new ATOM 0 HA LYS A 104 11.805 -10.138 -5.699 1.00 0.16 H new ATOM 0 HB2 LYS A 104 9.557 -10.403 -3.697 1.00 0.18 H new ATOM 0 HB3 LYS A 104 11.205 -10.163 -3.150 1.00 0.18 H new ATOM 0 HG2 LYS A 104 11.337 -8.082 -4.534 1.00 0.26 H new ATOM 0 HG3 LYS A 104 9.667 -8.315 -5.014 1.00 0.26 H new ATOM 0 HD2 LYS A 104 9.534 -6.789 -3.218 1.00 0.32 H new ATOM 0 HD3 LYS A 104 9.095 -8.325 -2.500 1.00 0.32 H new ATOM 0 HE2 LYS A 104 10.613 -7.390 -0.957 1.00 0.51 H new ATOM 0 HE3 LYS A 104 11.572 -8.564 -1.836 1.00 0.51 H new ATOM 0 HZ1 LYS A 104 12.942 -6.774 -1.934 1.00 0.63 H new ATOM 0 HZ2 LYS A 104 12.054 -6.482 -3.352 1.00 0.63 H new ATOM 0 HZ3 LYS A 104 11.680 -5.638 -1.927 1.00 0.63 H new ATOM 1654 N ASP A 105 11.044 -13.172 -5.173 1.00 0.17 N ATOM 1655 CA ASP A 105 11.539 -14.515 -4.859 1.00 0.21 C ATOM 1656 C ASP A 105 11.830 -14.651 -3.364 1.00 0.23 C ATOM 1657 O ASP A 105 12.958 -14.918 -2.948 1.00 0.28 O ATOM 1658 CB ASP A 105 12.787 -14.833 -5.695 1.00 0.24 C ATOM 1659 CG ASP A 105 13.293 -16.253 -5.499 1.00 0.34 C ATOM 1660 OD1 ASP A 105 12.549 -17.206 -5.811 1.00 0.43 O ATOM 1661 OD2 ASP A 105 14.447 -16.423 -5.036 1.00 0.47 O ATOM 0 H ASP A 105 10.177 -13.166 -5.710 1.00 0.17 H new ATOM 0 HA ASP A 105 10.764 -15.238 -5.114 1.00 0.21 H new ATOM 0 HB2 ASP A 105 12.559 -14.678 -6.750 1.00 0.24 H new ATOM 0 HB3 ASP A 105 13.580 -14.132 -5.433 1.00 0.24 H new ATOM 1666 N SER A 106 10.803 -14.428 -2.555 1.00 0.28 N ATOM 1667 CA SER A 106 10.930 -14.523 -1.105 1.00 0.33 C ATOM 1668 C SER A 106 9.605 -14.955 -0.477 1.00 0.36 C ATOM 1669 O SER A 106 8.540 -14.491 -0.884 1.00 0.56 O ATOM 1670 CB SER A 106 11.377 -13.180 -0.515 1.00 0.36 C ATOM 1671 OG SER A 106 12.569 -12.718 -1.137 1.00 1.14 O ATOM 0 H SER A 106 9.868 -14.179 -2.879 1.00 0.28 H new ATOM 0 HA SER A 106 11.686 -15.275 -0.878 1.00 0.33 H new ATOM 0 HB2 SER A 106 10.586 -12.441 -0.644 1.00 0.36 H new ATOM 0 HB3 SER A 106 11.541 -13.287 0.557 1.00 0.36 H new ATOM 0 HG SER A 106 12.832 -11.860 -0.744 1.00 1.14 H new ATOM 1677 N GLU A 107 9.674 -15.841 0.511 1.00 0.42 N ATOM 1678 CA GLU A 107 8.473 -16.326 1.181 1.00 0.54 C ATOM 1679 C GLU A 107 7.903 -15.253 2.108 1.00 0.42 C ATOM 1680 O GLU A 107 6.692 -15.188 2.332 1.00 0.54 O ATOM 1681 CB GLU A 107 8.790 -17.595 1.973 1.00 0.74 C ATOM 1682 CG GLU A 107 7.584 -18.488 2.221 1.00 1.11 C ATOM 1683 CD GLU A 107 6.964 -18.996 0.936 1.00 1.17 C ATOM 1684 OE1 GLU A 107 5.781 -18.693 0.681 1.00 1.74 O ATOM 1685 OE2 GLU A 107 7.658 -19.701 0.174 1.00 1.46 O ATOM 0 H GLU A 107 10.545 -16.237 0.864 1.00 0.42 H new ATOM 0 HA GLU A 107 7.724 -16.559 0.424 1.00 0.54 H new ATOM 0 HB2 GLU A 107 9.548 -18.166 1.436 1.00 0.74 H new ATOM 0 HB3 GLU A 107 9.224 -17.313 2.932 1.00 0.74 H new ATOM 0 HG2 GLU A 107 7.885 -19.336 2.836 1.00 1.11 H new ATOM 0 HG3 GLU A 107 6.836 -17.933 2.787 1.00 1.11 H new ATOM 1692 N ASP A 108 8.779 -14.416 2.643 1.00 0.35 N ATOM 1693 CA ASP A 108 8.365 -13.345 3.540 1.00 0.37 C ATOM 1694 C ASP A 108 8.689 -11.984 2.939 1.00 0.29 C ATOM 1695 O ASP A 108 9.833 -11.710 2.579 1.00 0.39 O ATOM 1696 CB ASP A 108 9.054 -13.490 4.899 1.00 0.54 C ATOM 1697 CG ASP A 108 8.727 -12.346 5.839 1.00 0.65 C ATOM 1698 OD1 ASP A 108 7.527 -12.052 6.031 1.00 0.77 O ATOM 1699 OD2 ASP A 108 9.668 -11.731 6.392 1.00 0.78 O ATOM 0 H ASP A 108 9.784 -14.457 2.472 1.00 0.35 H new ATOM 0 HA ASP A 108 7.286 -13.418 3.679 1.00 0.37 H new ATOM 0 HB2 ASP A 108 8.751 -14.431 5.358 1.00 0.54 H new ATOM 0 HB3 ASP A 108 10.133 -13.539 4.753 1.00 0.54 H new ATOM 1704 N VAL A 109 7.672 -11.144 2.821 1.00 0.25 N ATOM 1705 CA VAL A 109 7.827 -9.798 2.281 1.00 0.21 C ATOM 1706 C VAL A 109 7.021 -8.813 3.125 1.00 0.18 C ATOM 1707 O VAL A 109 5.842 -9.054 3.395 1.00 0.25 O ATOM 1708 CB VAL A 109 7.360 -9.715 0.803 1.00 0.27 C ATOM 1709 CG1 VAL A 109 7.312 -8.273 0.320 1.00 0.31 C ATOM 1710 CG2 VAL A 109 8.267 -10.535 -0.103 1.00 0.47 C ATOM 0 H VAL A 109 6.717 -11.374 3.096 1.00 0.25 H new ATOM 0 HA VAL A 109 8.886 -9.544 2.314 1.00 0.21 H new ATOM 0 HB VAL A 109 6.353 -10.129 0.757 1.00 0.27 H new ATOM 0 HG11 VAL A 109 6.981 -8.248 -0.718 1.00 0.31 H new ATOM 0 HG12 VAL A 109 6.615 -7.706 0.937 1.00 0.31 H new ATOM 0 HG13 VAL A 109 8.305 -7.831 0.395 1.00 0.31 H new ATOM 0 HG21 VAL A 109 7.917 -10.459 -1.133 1.00 0.47 H new ATOM 0 HG22 VAL A 109 9.287 -10.155 -0.037 1.00 0.47 H new ATOM 0 HG23 VAL A 109 8.248 -11.579 0.211 1.00 0.47 H new ATOM 1720 N PRO A 110 7.650 -7.704 3.569 1.00 0.15 N ATOM 1721 CA PRO A 110 6.981 -6.686 4.392 1.00 0.15 C ATOM 1722 C PRO A 110 5.738 -6.126 3.707 1.00 0.14 C ATOM 1723 O PRO A 110 5.832 -5.353 2.749 1.00 0.17 O ATOM 1724 CB PRO A 110 8.042 -5.592 4.558 1.00 0.18 C ATOM 1725 CG PRO A 110 9.344 -6.263 4.303 1.00 0.25 C ATOM 1726 CD PRO A 110 9.063 -7.353 3.310 1.00 0.23 C ATOM 0 HA PRO A 110 6.631 -7.095 5.340 1.00 0.15 H new ATOM 0 HB2 PRO A 110 7.877 -4.775 3.856 1.00 0.18 H new ATOM 0 HB3 PRO A 110 8.011 -5.163 5.560 1.00 0.18 H new ATOM 0 HG2 PRO A 110 10.076 -5.557 3.910 1.00 0.25 H new ATOM 0 HG3 PRO A 110 9.759 -6.672 5.224 1.00 0.25 H new ATOM 0 HD2 PRO A 110 9.210 -7.010 2.286 1.00 0.23 H new ATOM 0 HD3 PRO A 110 9.722 -8.209 3.457 1.00 0.23 H new ATOM 1734 N MET A 111 4.577 -6.526 4.200 1.00 0.13 N ATOM 1735 CA MET A 111 3.311 -6.084 3.640 1.00 0.14 C ATOM 1736 C MET A 111 2.323 -5.756 4.746 1.00 0.15 C ATOM 1737 O MET A 111 2.461 -6.236 5.872 1.00 0.17 O ATOM 1738 CB MET A 111 2.716 -7.171 2.743 1.00 0.17 C ATOM 1739 CG MET A 111 3.441 -7.348 1.418 1.00 0.24 C ATOM 1740 SD MET A 111 2.666 -8.596 0.374 1.00 0.34 S ATOM 1741 CE MET A 111 3.851 -8.708 -0.963 1.00 0.79 C ATOM 0 H MET A 111 4.486 -7.161 4.993 1.00 0.13 H new ATOM 0 HA MET A 111 3.500 -5.188 3.049 1.00 0.14 H new ATOM 0 HB2 MET A 111 2.729 -8.119 3.281 1.00 0.17 H new ATOM 0 HB3 MET A 111 1.671 -6.932 2.544 1.00 0.17 H new ATOM 0 HG2 MET A 111 3.461 -6.396 0.888 1.00 0.24 H new ATOM 0 HG3 MET A 111 4.477 -7.629 1.608 1.00 0.24 H new ATOM 0 HE1 MET A 111 3.364 -8.448 -1.903 1.00 0.79 H new ATOM 0 HE2 MET A 111 4.675 -8.019 -0.778 1.00 0.79 H new ATOM 0 HE3 MET A 111 4.236 -9.726 -1.023 1.00 0.79 H new ATOM 1751 N VAL A 112 1.341 -4.933 4.420 1.00 0.16 N ATOM 1752 CA VAL A 112 0.303 -4.545 5.363 1.00 0.16 C ATOM 1753 C VAL A 112 -1.037 -4.504 4.642 1.00 0.17 C ATOM 1754 O VAL A 112 -1.181 -3.826 3.622 1.00 0.17 O ATOM 1755 CB VAL A 112 0.586 -3.165 6.011 1.00 0.17 C ATOM 1756 CG1 VAL A 112 -0.614 -2.674 6.809 1.00 0.22 C ATOM 1757 CG2 VAL A 112 1.814 -3.228 6.904 1.00 0.21 C ATOM 0 H VAL A 112 1.240 -4.515 3.495 1.00 0.16 H new ATOM 0 HA VAL A 112 0.285 -5.285 6.164 1.00 0.16 H new ATOM 0 HB VAL A 112 0.775 -2.457 5.204 1.00 0.17 H new ATOM 0 HG11 VAL A 112 -0.385 -1.704 7.251 1.00 0.22 H new ATOM 0 HG12 VAL A 112 -1.475 -2.577 6.148 1.00 0.22 H new ATOM 0 HG13 VAL A 112 -0.842 -3.389 7.600 1.00 0.22 H new ATOM 0 HG21 VAL A 112 1.992 -2.248 7.347 1.00 0.21 H new ATOM 0 HG22 VAL A 112 1.651 -3.960 7.695 1.00 0.21 H new ATOM 0 HG23 VAL A 112 2.680 -3.521 6.311 1.00 0.21 H new ATOM 1767 N LEU A 113 -2.004 -5.246 5.161 1.00 0.18 N ATOM 1768 CA LEU A 113 -3.328 -5.295 4.566 1.00 0.19 C ATOM 1769 C LEU A 113 -4.145 -4.106 5.050 1.00 0.20 C ATOM 1770 O LEU A 113 -4.378 -3.942 6.249 1.00 0.23 O ATOM 1771 CB LEU A 113 -4.031 -6.611 4.914 1.00 0.23 C ATOM 1772 CG LEU A 113 -5.290 -6.911 4.100 1.00 0.23 C ATOM 1773 CD1 LEU A 113 -4.971 -6.989 2.611 1.00 0.26 C ATOM 1774 CD2 LEU A 113 -5.938 -8.202 4.579 1.00 0.29 C ATOM 0 H LEU A 113 -1.895 -5.823 5.995 1.00 0.18 H new ATOM 0 HA LEU A 113 -3.232 -5.245 3.481 1.00 0.19 H new ATOM 0 HB2 LEU A 113 -3.325 -7.429 4.776 1.00 0.23 H new ATOM 0 HB3 LEU A 113 -4.296 -6.594 5.971 1.00 0.23 H new ATOM 0 HG LEU A 113 -5.995 -6.094 4.250 1.00 0.23 H new ATOM 0 HD11 LEU A 113 -5.883 -7.203 2.054 1.00 0.26 H new ATOM 0 HD12 LEU A 113 -4.557 -6.037 2.277 1.00 0.26 H new ATOM 0 HD13 LEU A 113 -4.244 -7.782 2.436 1.00 0.26 H new ATOM 0 HD21 LEU A 113 -6.833 -8.401 3.989 1.00 0.29 H new ATOM 0 HD22 LEU A 113 -5.235 -9.027 4.462 1.00 0.29 H new ATOM 0 HD23 LEU A 113 -6.211 -8.104 5.630 1.00 0.29 H new ATOM 1786 N VAL A 114 -4.568 -3.276 4.117 1.00 0.23 N ATOM 1787 CA VAL A 114 -5.324 -2.088 4.449 1.00 0.28 C ATOM 1788 C VAL A 114 -6.661 -2.055 3.709 1.00 0.24 C ATOM 1789 O VAL A 114 -6.728 -2.324 2.509 1.00 0.30 O ATOM 1790 CB VAL A 114 -4.516 -0.820 4.094 1.00 0.38 C ATOM 1791 CG1 VAL A 114 -5.265 0.435 4.503 1.00 0.82 C ATOM 1792 CG2 VAL A 114 -3.133 -0.857 4.738 1.00 0.59 C ATOM 0 H VAL A 114 -4.399 -3.405 3.119 1.00 0.23 H new ATOM 0 HA VAL A 114 -5.518 -2.112 5.521 1.00 0.28 H new ATOM 0 HB VAL A 114 -4.386 -0.799 3.012 1.00 0.38 H new ATOM 0 HG11 VAL A 114 -4.674 1.313 4.242 1.00 0.82 H new ATOM 0 HG12 VAL A 114 -6.222 0.474 3.982 1.00 0.82 H new ATOM 0 HG13 VAL A 114 -5.438 0.421 5.579 1.00 0.82 H new ATOM 0 HG21 VAL A 114 -2.584 0.047 4.473 1.00 0.59 H new ATOM 0 HG22 VAL A 114 -3.238 -0.913 5.822 1.00 0.59 H new ATOM 0 HG23 VAL A 114 -2.588 -1.731 4.380 1.00 0.59 H new ATOM 1802 N GLY A 115 -7.723 -1.751 4.440 1.00 0.20 N ATOM 1803 CA GLY A 115 -9.039 -1.646 3.846 1.00 0.19 C ATOM 1804 C GLY A 115 -9.478 -0.201 3.799 1.00 0.19 C ATOM 1805 O GLY A 115 -9.705 0.408 4.838 1.00 0.27 O ATOM 0 H GLY A 115 -7.695 -1.574 5.444 1.00 0.20 H new ATOM 0 HA2 GLY A 115 -9.025 -2.062 2.839 1.00 0.19 H new ATOM 0 HA3 GLY A 115 -9.754 -2.232 4.423 1.00 0.19 H new ATOM 1809 N ASN A 116 -9.589 0.356 2.606 1.00 0.16 N ATOM 1810 CA ASN A 116 -9.968 1.758 2.452 1.00 0.15 C ATOM 1811 C ASN A 116 -11.475 1.911 2.278 1.00 0.16 C ATOM 1812 O ASN A 116 -12.177 0.940 1.987 1.00 0.16 O ATOM 1813 CB ASN A 116 -9.231 2.373 1.250 1.00 0.16 C ATOM 1814 CG ASN A 116 -9.341 3.889 1.190 1.00 0.17 C ATOM 1815 OD1 ASN A 116 -9.444 4.564 2.219 1.00 0.19 O ATOM 1816 ND2 ASN A 116 -9.338 4.436 -0.017 1.00 0.21 N ATOM 0 H ASN A 116 -9.423 -0.136 1.728 1.00 0.16 H new ATOM 0 HA ASN A 116 -9.681 2.287 3.361 1.00 0.15 H new ATOM 0 HB2 ASN A 116 -8.178 2.093 1.296 1.00 0.16 H new ATOM 0 HB3 ASN A 116 -9.634 1.949 0.330 1.00 0.16 H new ATOM 0 HD21 ASN A 116 -9.423 5.447 -0.119 1.00 0.21 H new ATOM 0 HD22 ASN A 116 -9.251 3.846 -0.844 1.00 0.21 H new ATOM 1823 N LYS A 117 -11.950 3.146 2.465 1.00 0.18 N ATOM 1824 CA LYS A 117 -13.364 3.496 2.321 1.00 0.21 C ATOM 1825 C LYS A 117 -14.218 2.864 3.416 1.00 0.23 C ATOM 1826 O LYS A 117 -15.378 2.529 3.184 1.00 0.26 O ATOM 1827 CB LYS A 117 -13.895 3.089 0.936 1.00 0.21 C ATOM 1828 CG LYS A 117 -13.112 3.682 -0.222 1.00 0.25 C ATOM 1829 CD LYS A 117 -13.649 3.201 -1.561 1.00 0.31 C ATOM 1830 CE LYS A 117 -12.724 3.593 -2.699 1.00 0.42 C ATOM 1831 NZ LYS A 117 -13.220 3.112 -4.015 1.00 0.54 N ATOM 0 H LYS A 117 -11.359 3.936 2.722 1.00 0.18 H new ATOM 0 HA LYS A 117 -13.436 4.579 2.421 1.00 0.21 H new ATOM 0 HB2 LYS A 117 -13.876 2.002 0.856 1.00 0.21 H new ATOM 0 HB3 LYS A 117 -14.937 3.397 0.853 1.00 0.21 H new ATOM 0 HG2 LYS A 117 -13.163 4.770 -0.178 1.00 0.25 H new ATOM 0 HG3 LYS A 117 -12.061 3.408 -0.130 1.00 0.25 H new ATOM 0 HD2 LYS A 117 -13.765 2.117 -1.541 1.00 0.31 H new ATOM 0 HD3 LYS A 117 -14.639 3.624 -1.732 1.00 0.31 H new ATOM 0 HE2 LYS A 117 -12.622 4.678 -2.725 1.00 0.42 H new ATOM 0 HE3 LYS A 117 -11.731 3.184 -2.515 1.00 0.42 H new ATOM 0 HZ1 LYS A 117 -12.503 3.297 -4.745 1.00 0.54 H new ATOM 0 HZ2 LYS A 117 -13.406 2.090 -3.963 1.00 0.54 H new ATOM 0 HZ3 LYS A 117 -14.099 3.612 -4.259 1.00 0.54 H new ATOM 1845 N CYS A 118 -13.657 2.733 4.618 1.00 0.27 N ATOM 1846 CA CYS A 118 -14.389 2.141 5.738 1.00 0.33 C ATOM 1847 C CYS A 118 -15.515 3.063 6.204 1.00 0.38 C ATOM 1848 O CYS A 118 -16.375 2.667 6.994 1.00 0.46 O ATOM 1849 CB CYS A 118 -13.438 1.841 6.903 1.00 0.36 C ATOM 1850 SG CYS A 118 -12.751 3.310 7.706 1.00 0.41 S ATOM 0 H CYS A 118 -12.706 3.026 4.841 1.00 0.27 H new ATOM 0 HA CYS A 118 -14.831 1.206 5.394 1.00 0.33 H new ATOM 0 HB2 CYS A 118 -13.971 1.251 7.648 1.00 0.36 H new ATOM 0 HB3 CYS A 118 -12.617 1.225 6.536 1.00 0.36 H new ATOM 0 HG CYS A 118 -11.965 2.947 8.675 1.00 0.41 H new ATOM 1856 N ASP A 119 -15.499 4.294 5.714 1.00 0.38 N ATOM 1857 CA ASP A 119 -16.510 5.278 6.069 1.00 0.45 C ATOM 1858 C ASP A 119 -17.705 5.178 5.127 1.00 0.46 C ATOM 1859 O ASP A 119 -18.768 5.733 5.402 1.00 0.54 O ATOM 1860 CB ASP A 119 -15.929 6.695 6.010 1.00 0.52 C ATOM 1861 CG ASP A 119 -15.588 7.119 4.592 1.00 0.54 C ATOM 1862 OD1 ASP A 119 -14.688 6.493 3.984 1.00 0.44 O ATOM 1863 OD2 ASP A 119 -16.207 8.080 4.091 1.00 0.70 O ATOM 0 H ASP A 119 -14.791 4.637 5.065 1.00 0.38 H new ATOM 0 HA ASP A 119 -16.839 5.071 7.088 1.00 0.45 H new ATOM 0 HB2 ASP A 119 -16.646 7.397 6.434 1.00 0.52 H new ATOM 0 HB3 ASP A 119 -15.032 6.744 6.627 1.00 0.52 H new ATOM 1868 N LEU A 120 -17.533 4.458 4.027 1.00 0.42 N ATOM 1869 CA LEU A 120 -18.598 4.301 3.047 1.00 0.45 C ATOM 1870 C LEU A 120 -19.487 3.111 3.391 1.00 0.42 C ATOM 1871 O LEU A 120 -19.016 2.097 3.902 1.00 0.44 O ATOM 1872 CB LEU A 120 -18.009 4.123 1.643 1.00 0.53 C ATOM 1873 CG LEU A 120 -17.217 5.316 1.100 1.00 0.59 C ATOM 1874 CD1 LEU A 120 -16.956 5.144 -0.390 1.00 0.67 C ATOM 1875 CD2 LEU A 120 -17.959 6.621 1.357 1.00 0.62 C ATOM 0 H LEU A 120 -16.667 3.974 3.791 1.00 0.42 H new ATOM 0 HA LEU A 120 -19.208 5.204 3.067 1.00 0.45 H new ATOM 0 HB2 LEU A 120 -17.356 3.250 1.651 1.00 0.53 H new ATOM 0 HB3 LEU A 120 -18.823 3.906 0.952 1.00 0.53 H new ATOM 0 HG LEU A 120 -16.261 5.356 1.623 1.00 0.59 H new ATOM 0 HD11 LEU A 120 -16.392 6.000 -0.762 1.00 0.67 H new ATOM 0 HD12 LEU A 120 -16.383 4.232 -0.556 1.00 0.67 H new ATOM 0 HD13 LEU A 120 -17.906 5.077 -0.920 1.00 0.67 H new ATOM 0 HD21 LEU A 120 -17.377 7.454 0.963 1.00 0.62 H new ATOM 0 HD22 LEU A 120 -18.930 6.591 0.863 1.00 0.62 H new ATOM 0 HD23 LEU A 120 -18.101 6.753 2.430 1.00 0.62 H new ATOM 1887 N PRO A 121 -20.798 3.237 3.140 1.00 0.42 N ATOM 1888 CA PRO A 121 -21.760 2.169 3.404 1.00 0.43 C ATOM 1889 C PRO A 121 -21.729 1.089 2.326 1.00 0.48 C ATOM 1890 O PRO A 121 -20.941 1.168 1.378 1.00 0.53 O ATOM 1891 CB PRO A 121 -23.097 2.902 3.395 1.00 0.44 C ATOM 1892 CG PRO A 121 -22.897 4.054 2.475 1.00 0.54 C ATOM 1893 CD PRO A 121 -21.447 4.443 2.589 1.00 0.44 C ATOM 0 HA PRO A 121 -21.553 1.643 4.336 1.00 0.43 H new ATOM 0 HB2 PRO A 121 -23.901 2.253 3.047 1.00 0.44 H new ATOM 0 HB3 PRO A 121 -23.370 3.238 4.395 1.00 0.44 H new ATOM 0 HG2 PRO A 121 -23.146 3.780 1.450 1.00 0.54 H new ATOM 0 HG3 PRO A 121 -23.545 4.887 2.749 1.00 0.54 H new ATOM 0 HD2 PRO A 121 -21.029 4.714 1.620 1.00 0.44 H new ATOM 0 HD3 PRO A 121 -21.315 5.303 3.245 1.00 0.44 H new ATOM 1901 N SER A 122 -22.601 0.094 2.477 1.00 0.52 N ATOM 1902 CA SER A 122 -22.692 -1.022 1.540 1.00 0.59 C ATOM 1903 C SER A 122 -21.423 -1.864 1.595 1.00 0.53 C ATOM 1904 O SER A 122 -20.891 -2.284 0.565 1.00 0.55 O ATOM 1905 CB SER A 122 -22.949 -0.529 0.111 1.00 0.68 C ATOM 1906 OG SER A 122 -24.040 0.383 0.071 1.00 0.84 O ATOM 0 H SER A 122 -23.263 0.039 3.251 1.00 0.52 H new ATOM 0 HA SER A 122 -23.538 -1.642 1.836 1.00 0.59 H new ATOM 0 HB2 SER A 122 -22.052 -0.045 -0.277 1.00 0.68 H new ATOM 0 HB3 SER A 122 -23.158 -1.379 -0.538 1.00 0.68 H new ATOM 0 HG SER A 122 -24.182 0.683 -0.851 1.00 0.84 H new ATOM 1912 N ARG A 123 -20.941 -2.099 2.810 1.00 0.47 N ATOM 1913 CA ARG A 123 -19.740 -2.897 3.027 1.00 0.41 C ATOM 1914 C ARG A 123 -19.996 -4.355 2.665 1.00 0.36 C ATOM 1915 O ARG A 123 -20.863 -5.006 3.252 1.00 0.41 O ATOM 1916 CB ARG A 123 -19.293 -2.804 4.488 1.00 0.45 C ATOM 1917 CG ARG A 123 -18.059 -3.640 4.801 1.00 0.42 C ATOM 1918 CD ARG A 123 -17.986 -4.024 6.272 1.00 0.43 C ATOM 1919 NE ARG A 123 -17.449 -2.950 7.111 1.00 0.40 N ATOM 1920 CZ ARG A 123 -16.161 -2.838 7.437 1.00 0.45 C ATOM 1921 NH1 ARG A 123 -15.275 -3.721 6.990 1.00 0.55 N ATOM 1922 NH2 ARG A 123 -15.762 -1.845 8.228 1.00 0.58 N ATOM 0 H ARG A 123 -21.368 -1.745 3.666 1.00 0.47 H new ATOM 0 HA ARG A 123 -18.951 -2.504 2.386 1.00 0.41 H new ATOM 0 HB2 ARG A 123 -19.087 -1.762 4.731 1.00 0.45 H new ATOM 0 HB3 ARG A 123 -20.112 -3.125 5.131 1.00 0.45 H new ATOM 0 HG2 ARG A 123 -18.069 -4.543 4.191 1.00 0.42 H new ATOM 0 HG3 ARG A 123 -17.164 -3.081 4.528 1.00 0.42 H new ATOM 0 HD2 ARG A 123 -18.983 -4.290 6.624 1.00 0.43 H new ATOM 0 HD3 ARG A 123 -17.362 -4.911 6.381 1.00 0.43 H new ATOM 0 HE ARG A 123 -18.098 -2.248 7.466 1.00 0.40 H new ATOM 0 HH11 ARG A 123 -15.578 -4.491 6.393 1.00 0.55 H new ATOM 0 HH12 ARG A 123 -14.291 -3.629 7.243 1.00 0.55 H new ATOM 0 HH21 ARG A 123 -16.441 -1.172 8.583 1.00 0.58 H new ATOM 0 HH22 ARG A 123 -14.777 -1.757 8.479 1.00 0.58 H new ATOM 1936 N THR A 124 -19.240 -4.865 1.708 1.00 0.33 N ATOM 1937 CA THR A 124 -19.389 -6.246 1.281 1.00 0.32 C ATOM 1938 C THR A 124 -18.324 -7.131 1.920 1.00 0.30 C ATOM 1939 O THR A 124 -18.541 -8.325 2.128 1.00 0.33 O ATOM 1940 CB THR A 124 -19.312 -6.367 -0.252 1.00 0.38 C ATOM 1941 OG1 THR A 124 -18.236 -5.565 -0.756 1.00 0.65 O ATOM 1942 CG2 THR A 124 -20.620 -5.934 -0.897 1.00 0.81 C ATOM 0 H THR A 124 -18.517 -4.344 1.212 1.00 0.33 H new ATOM 0 HA THR A 124 -20.373 -6.583 1.608 1.00 0.32 H new ATOM 0 HB THR A 124 -19.132 -7.413 -0.501 1.00 0.38 H new ATOM 0 HG1 THR A 124 -18.598 -4.847 -1.316 1.00 0.65 H new ATOM 0 HG21 THR A 124 -20.540 -6.029 -1.980 1.00 0.81 H new ATOM 0 HG22 THR A 124 -21.431 -6.567 -0.536 1.00 0.81 H new ATOM 0 HG23 THR A 124 -20.827 -4.896 -0.638 1.00 0.81 H new ATOM 1950 N VAL A 125 -17.179 -6.541 2.239 1.00 0.33 N ATOM 1951 CA VAL A 125 -16.088 -7.284 2.855 1.00 0.32 C ATOM 1952 C VAL A 125 -16.095 -7.084 4.367 1.00 0.35 C ATOM 1953 O VAL A 125 -15.877 -5.975 4.858 1.00 0.37 O ATOM 1954 CB VAL A 125 -14.717 -6.852 2.292 1.00 0.31 C ATOM 1955 CG1 VAL A 125 -13.619 -7.780 2.789 1.00 0.34 C ATOM 1956 CG2 VAL A 125 -14.749 -6.814 0.769 1.00 0.28 C ATOM 0 H VAL A 125 -16.982 -5.553 2.082 1.00 0.33 H new ATOM 0 HA VAL A 125 -16.242 -8.338 2.622 1.00 0.32 H new ATOM 0 HB VAL A 125 -14.499 -5.846 2.650 1.00 0.31 H new ATOM 0 HG11 VAL A 125 -12.660 -7.460 2.382 1.00 0.34 H new ATOM 0 HG12 VAL A 125 -13.580 -7.747 3.878 1.00 0.34 H new ATOM 0 HG13 VAL A 125 -13.829 -8.799 2.464 1.00 0.34 H new ATOM 0 HG21 VAL A 125 -13.773 -6.507 0.392 1.00 0.28 H new ATOM 0 HG22 VAL A 125 -14.991 -7.805 0.385 1.00 0.28 H new ATOM 0 HG23 VAL A 125 -15.506 -6.102 0.439 1.00 0.28 H new ATOM 1966 N ASP A 126 -16.356 -8.156 5.103 1.00 0.37 N ATOM 1967 CA ASP A 126 -16.396 -8.085 6.557 1.00 0.41 C ATOM 1968 C ASP A 126 -14.982 -8.041 7.134 1.00 0.36 C ATOM 1969 O ASP A 126 -14.045 -8.586 6.547 1.00 0.34 O ATOM 1970 CB ASP A 126 -17.176 -9.270 7.136 1.00 0.47 C ATOM 1971 CG ASP A 126 -17.264 -9.230 8.651 1.00 0.89 C ATOM 1972 OD1 ASP A 126 -18.145 -8.530 9.189 1.00 1.36 O ATOM 1973 OD2 ASP A 126 -16.450 -9.899 9.314 1.00 1.69 O ATOM 0 H ASP A 126 -16.543 -9.082 4.719 1.00 0.37 H new ATOM 0 HA ASP A 126 -16.910 -7.166 6.838 1.00 0.41 H new ATOM 0 HB2 ASP A 126 -18.183 -9.276 6.718 1.00 0.47 H new ATOM 0 HB3 ASP A 126 -16.697 -10.200 6.828 1.00 0.47 H new ATOM 1978 N THR A 127 -14.839 -7.391 8.284 1.00 0.36 N ATOM 1979 CA THR A 127 -13.555 -7.252 8.961 1.00 0.33 C ATOM 1980 C THR A 127 -12.876 -8.602 9.207 1.00 0.27 C ATOM 1981 O THR A 127 -11.663 -8.738 9.025 1.00 0.26 O ATOM 1982 CB THR A 127 -13.739 -6.539 10.309 1.00 0.39 C ATOM 1983 OG1 THR A 127 -15.024 -5.905 10.346 1.00 0.82 O ATOM 1984 CG2 THR A 127 -12.654 -5.502 10.530 1.00 0.56 C ATOM 0 H THR A 127 -15.614 -6.944 8.775 1.00 0.36 H new ATOM 0 HA THR A 127 -12.916 -6.664 8.302 1.00 0.33 H new ATOM 0 HB THR A 127 -13.670 -7.283 11.103 1.00 0.39 H new ATOM 0 HG1 THR A 127 -15.141 -5.452 11.207 1.00 0.82 H new ATOM 0 HG21 THR A 127 -12.809 -5.013 11.492 1.00 0.56 H new ATOM 0 HG22 THR A 127 -11.679 -5.989 10.523 1.00 0.56 H new ATOM 0 HG23 THR A 127 -12.694 -4.758 9.734 1.00 0.56 H new ATOM 1992 N LYS A 128 -13.664 -9.603 9.592 1.00 0.28 N ATOM 1993 CA LYS A 128 -13.132 -10.932 9.879 1.00 0.27 C ATOM 1994 C LYS A 128 -12.489 -11.553 8.641 1.00 0.24 C ATOM 1995 O LYS A 128 -11.447 -12.204 8.733 1.00 0.24 O ATOM 1996 CB LYS A 128 -14.237 -11.846 10.415 1.00 0.34 C ATOM 1997 CG LYS A 128 -13.744 -13.242 10.756 1.00 0.39 C ATOM 1998 CD LYS A 128 -14.872 -14.155 11.208 1.00 0.46 C ATOM 1999 CE LYS A 128 -14.348 -15.532 11.598 1.00 0.54 C ATOM 2000 NZ LYS A 128 -13.385 -16.071 10.597 1.00 0.62 N ATOM 0 H LYS A 128 -14.673 -9.519 9.712 1.00 0.28 H new ATOM 0 HA LYS A 128 -12.361 -10.824 10.641 1.00 0.27 H new ATOM 0 HB2 LYS A 128 -14.674 -11.394 11.306 1.00 0.34 H new ATOM 0 HB3 LYS A 128 -15.032 -11.919 9.672 1.00 0.34 H new ATOM 0 HG2 LYS A 128 -13.255 -13.676 9.884 1.00 0.39 H new ATOM 0 HG3 LYS A 128 -12.993 -13.178 11.543 1.00 0.39 H new ATOM 0 HD2 LYS A 128 -15.388 -13.706 12.057 1.00 0.46 H new ATOM 0 HD3 LYS A 128 -15.604 -14.256 10.407 1.00 0.46 H new ATOM 0 HE2 LYS A 128 -13.862 -15.472 12.572 1.00 0.54 H new ATOM 0 HE3 LYS A 128 -15.186 -16.222 11.702 1.00 0.54 H new ATOM 0 HZ1 LYS A 128 -13.289 -17.098 10.726 1.00 0.62 H new ATOM 0 HZ2 LYS A 128 -13.735 -15.874 9.638 1.00 0.62 H new ATOM 0 HZ3 LYS A 128 -12.458 -15.617 10.728 1.00 0.62 H new ATOM 2014 N GLN A 129 -13.093 -11.316 7.482 1.00 0.25 N ATOM 2015 CA GLN A 129 -12.588 -11.856 6.224 1.00 0.26 C ATOM 2016 C GLN A 129 -11.165 -11.382 5.959 1.00 0.25 C ATOM 2017 O GLN A 129 -10.282 -12.174 5.617 1.00 0.31 O ATOM 2018 CB GLN A 129 -13.488 -11.436 5.056 1.00 0.30 C ATOM 2019 CG GLN A 129 -14.844 -12.121 5.048 1.00 0.54 C ATOM 2020 CD GLN A 129 -15.691 -11.714 3.857 1.00 0.68 C ATOM 2021 OE1 GLN A 129 -16.476 -10.765 3.929 1.00 0.89 O ATOM 2022 NE2 GLN A 129 -15.539 -12.430 2.753 1.00 0.93 N ATOM 0 H GLN A 129 -13.937 -10.751 7.387 1.00 0.25 H new ATOM 0 HA GLN A 129 -12.589 -12.943 6.308 1.00 0.26 H new ATOM 0 HB2 GLN A 129 -13.637 -10.357 5.094 1.00 0.30 H new ATOM 0 HB3 GLN A 129 -12.976 -11.654 4.119 1.00 0.30 H new ATOM 0 HG2 GLN A 129 -14.702 -13.202 5.037 1.00 0.54 H new ATOM 0 HG3 GLN A 129 -15.376 -11.879 5.968 1.00 0.54 H new ATOM 0 HE21 GLN A 129 -14.879 -13.207 2.736 1.00 0.93 H new ATOM 0 HE22 GLN A 129 -16.082 -12.204 1.920 1.00 0.93 H new ATOM 2031 N ALA A 130 -10.942 -10.090 6.138 1.00 0.24 N ATOM 2032 CA ALA A 130 -9.633 -9.504 5.903 1.00 0.27 C ATOM 2033 C ALA A 130 -8.665 -9.838 7.032 1.00 0.25 C ATOM 2034 O ALA A 130 -7.489 -10.111 6.790 1.00 0.27 O ATOM 2035 CB ALA A 130 -9.758 -8.002 5.736 1.00 0.30 C ATOM 0 H ALA A 130 -11.652 -9.426 6.446 1.00 0.24 H new ATOM 0 HA ALA A 130 -9.230 -9.931 4.985 1.00 0.27 H new ATOM 0 HB1 ALA A 130 -8.772 -7.572 5.560 1.00 0.30 H new ATOM 0 HB2 ALA A 130 -10.406 -7.783 4.887 1.00 0.30 H new ATOM 0 HB3 ALA A 130 -10.186 -7.570 6.640 1.00 0.30 H new ATOM 2041 N GLN A 131 -9.169 -9.824 8.260 1.00 0.23 N ATOM 2042 CA GLN A 131 -8.349 -10.121 9.428 1.00 0.26 C ATOM 2043 C GLN A 131 -7.792 -11.542 9.351 1.00 0.27 C ATOM 2044 O GLN A 131 -6.619 -11.778 9.645 1.00 0.28 O ATOM 2045 CB GLN A 131 -9.168 -9.940 10.710 1.00 0.28 C ATOM 2046 CG GLN A 131 -8.340 -9.981 11.988 1.00 0.34 C ATOM 2047 CD GLN A 131 -7.302 -8.877 12.053 1.00 0.39 C ATOM 2048 OE1 GLN A 131 -6.154 -9.053 11.643 1.00 0.47 O ATOM 2049 NE2 GLN A 131 -7.695 -7.730 12.579 1.00 0.42 N ATOM 0 H GLN A 131 -10.143 -9.610 8.473 1.00 0.23 H new ATOM 0 HA GLN A 131 -7.510 -9.425 9.445 1.00 0.26 H new ATOM 0 HB2 GLN A 131 -9.694 -8.986 10.661 1.00 0.28 H new ATOM 0 HB3 GLN A 131 -9.927 -10.721 10.757 1.00 0.28 H new ATOM 0 HG2 GLN A 131 -9.004 -9.900 12.848 1.00 0.34 H new ATOM 0 HG3 GLN A 131 -7.841 -10.947 12.061 1.00 0.34 H new ATOM 0 HE21 GLN A 131 -8.654 -7.622 12.908 1.00 0.42 H new ATOM 0 HE22 GLN A 131 -7.039 -6.953 12.656 1.00 0.42 H new ATOM 2058 N ASP A 132 -8.633 -12.481 8.936 1.00 0.29 N ATOM 2059 CA ASP A 132 -8.225 -13.876 8.814 1.00 0.33 C ATOM 2060 C ASP A 132 -7.225 -14.044 7.674 1.00 0.28 C ATOM 2061 O ASP A 132 -6.249 -14.790 7.792 1.00 0.30 O ATOM 2062 CB ASP A 132 -9.442 -14.776 8.579 1.00 0.41 C ATOM 2063 CG ASP A 132 -9.822 -15.582 9.807 1.00 0.58 C ATOM 2064 OD1 ASP A 132 -10.796 -15.202 10.500 1.00 1.17 O ATOM 2065 OD2 ASP A 132 -9.154 -16.599 10.089 1.00 1.18 O ATOM 0 H ASP A 132 -9.603 -12.302 8.678 1.00 0.29 H new ATOM 0 HA ASP A 132 -7.746 -14.172 9.748 1.00 0.33 H new ATOM 0 HB2 ASP A 132 -10.290 -14.161 8.277 1.00 0.41 H new ATOM 0 HB3 ASP A 132 -9.231 -15.457 7.754 1.00 0.41 H new ATOM 2070 N LEU A 133 -7.458 -13.317 6.582 1.00 0.27 N ATOM 2071 CA LEU A 133 -6.586 -13.375 5.414 1.00 0.26 C ATOM 2072 C LEU A 133 -5.182 -12.880 5.750 1.00 0.21 C ATOM 2073 O LEU A 133 -4.186 -13.521 5.406 1.00 0.20 O ATOM 2074 CB LEU A 133 -7.169 -12.541 4.271 1.00 0.32 C ATOM 2075 CG LEU A 133 -6.391 -12.624 2.963 1.00 0.34 C ATOM 2076 CD1 LEU A 133 -6.470 -14.028 2.389 1.00 0.44 C ATOM 2077 CD2 LEU A 133 -6.913 -11.600 1.968 1.00 0.44 C ATOM 0 H LEU A 133 -8.248 -12.679 6.484 1.00 0.27 H new ATOM 0 HA LEU A 133 -6.519 -14.417 5.100 1.00 0.26 H new ATOM 0 HB2 LEU A 133 -8.194 -12.864 4.090 1.00 0.32 H new ATOM 0 HB3 LEU A 133 -7.214 -11.498 4.586 1.00 0.32 H new ATOM 0 HG LEU A 133 -5.344 -12.397 3.164 1.00 0.34 H new ATOM 0 HD11 LEU A 133 -5.910 -14.071 1.455 1.00 0.44 H new ATOM 0 HD12 LEU A 133 -6.045 -14.736 3.100 1.00 0.44 H new ATOM 0 HD13 LEU A 133 -7.512 -14.285 2.199 1.00 0.44 H new ATOM 0 HD21 LEU A 133 -6.346 -11.673 1.040 1.00 0.44 H new ATOM 0 HD22 LEU A 133 -7.967 -11.793 1.766 1.00 0.44 H new ATOM 0 HD23 LEU A 133 -6.801 -10.599 2.384 1.00 0.44 H new ATOM 2089 N ALA A 134 -5.115 -11.748 6.441 1.00 0.21 N ATOM 2090 CA ALA A 134 -3.840 -11.157 6.837 1.00 0.21 C ATOM 2091 C ALA A 134 -3.043 -12.120 7.712 1.00 0.22 C ATOM 2092 O ALA A 134 -1.819 -12.231 7.593 1.00 0.25 O ATOM 2093 CB ALA A 134 -4.081 -9.844 7.569 1.00 0.25 C ATOM 0 H ALA A 134 -5.933 -11.218 6.741 1.00 0.21 H new ATOM 0 HA ALA A 134 -3.256 -10.958 5.939 1.00 0.21 H new ATOM 0 HB1 ALA A 134 -3.125 -9.409 7.861 1.00 0.25 H new ATOM 0 HB2 ALA A 134 -4.608 -9.152 6.912 1.00 0.25 H new ATOM 0 HB3 ALA A 134 -4.683 -10.029 8.459 1.00 0.25 H new ATOM 2099 N ARG A 135 -3.759 -12.843 8.562 1.00 0.24 N ATOM 2100 CA ARG A 135 -3.152 -13.810 9.467 1.00 0.30 C ATOM 2101 C ARG A 135 -2.536 -14.975 8.689 1.00 0.25 C ATOM 2102 O ARG A 135 -1.561 -15.583 9.131 1.00 0.28 O ATOM 2103 CB ARG A 135 -4.201 -14.340 10.436 1.00 0.41 C ATOM 2104 CG ARG A 135 -3.619 -14.971 11.691 1.00 1.21 C ATOM 2105 CD ARG A 135 -4.719 -15.481 12.607 1.00 1.34 C ATOM 2106 NE ARG A 135 -5.667 -14.425 12.953 1.00 1.20 N ATOM 2107 CZ ARG A 135 -6.990 -14.567 12.955 1.00 1.04 C ATOM 2108 NH1 ARG A 135 -7.543 -15.739 12.637 1.00 1.54 N ATOM 2109 NH2 ARG A 135 -7.768 -13.540 13.268 1.00 1.43 N ATOM 0 H ARG A 135 -4.774 -12.776 8.644 1.00 0.24 H new ATOM 0 HA ARG A 135 -2.360 -13.308 10.023 1.00 0.30 H new ATOM 0 HB2 ARG A 135 -4.860 -13.522 10.725 1.00 0.41 H new ATOM 0 HB3 ARG A 135 -4.816 -15.079 9.922 1.00 0.41 H new ATOM 0 HG2 ARG A 135 -2.960 -15.794 11.416 1.00 1.21 H new ATOM 0 HG3 ARG A 135 -3.010 -14.239 12.221 1.00 1.21 H new ATOM 0 HD2 ARG A 135 -5.248 -16.300 12.119 1.00 1.34 H new ATOM 0 HD3 ARG A 135 -4.276 -15.885 13.517 1.00 1.34 H new ATOM 0 HE ARG A 135 -5.288 -13.514 13.211 1.00 1.20 H new ATOM 0 HH11 ARG A 135 -6.951 -16.532 12.391 1.00 1.54 H new ATOM 0 HH12 ARG A 135 -8.558 -15.842 12.640 1.00 1.54 H new ATOM 0 HH21 ARG A 135 -7.352 -12.640 13.508 1.00 1.43 H new ATOM 0 HH22 ARG A 135 -8.782 -13.650 13.269 1.00 1.43 H new ATOM 2123 N SER A 136 -3.109 -15.277 7.525 1.00 0.30 N ATOM 2124 CA SER A 136 -2.619 -16.367 6.682 1.00 0.34 C ATOM 2125 C SER A 136 -1.315 -15.960 5.994 1.00 0.29 C ATOM 2126 O SER A 136 -0.453 -16.794 5.711 1.00 0.36 O ATOM 2127 CB SER A 136 -3.679 -16.739 5.635 1.00 0.43 C ATOM 2128 OG SER A 136 -4.977 -16.750 6.209 1.00 0.68 O ATOM 0 H SER A 136 -3.915 -14.781 7.143 1.00 0.30 H new ATOM 0 HA SER A 136 -2.424 -17.237 7.310 1.00 0.34 H new ATOM 0 HB2 SER A 136 -3.648 -16.026 4.811 1.00 0.43 H new ATOM 0 HB3 SER A 136 -3.454 -17.720 5.217 1.00 0.43 H new ATOM 0 HG SER A 136 -5.636 -16.988 5.524 1.00 0.68 H new ATOM 2134 N TYR A 137 -1.174 -14.669 5.736 1.00 0.27 N ATOM 2135 CA TYR A 137 0.023 -14.153 5.092 1.00 0.26 C ATOM 2136 C TYR A 137 1.107 -13.880 6.126 1.00 0.25 C ATOM 2137 O TYR A 137 2.300 -13.983 5.841 1.00 0.38 O ATOM 2138 CB TYR A 137 -0.286 -12.860 4.336 1.00 0.30 C ATOM 2139 CG TYR A 137 -1.269 -13.005 3.195 1.00 0.38 C ATOM 2140 CD1 TYR A 137 -1.299 -14.150 2.405 1.00 0.66 C ATOM 2141 CD2 TYR A 137 -2.159 -11.981 2.898 1.00 0.54 C ATOM 2142 CE1 TYR A 137 -2.184 -14.265 1.353 1.00 0.74 C ATOM 2143 CE2 TYR A 137 -3.049 -12.087 1.848 1.00 0.65 C ATOM 2144 CZ TYR A 137 -3.057 -13.232 1.078 1.00 0.63 C ATOM 2145 OH TYR A 137 -3.937 -13.341 0.027 1.00 0.77 O ATOM 0 H TYR A 137 -1.872 -13.961 5.962 1.00 0.27 H new ATOM 0 HA TYR A 137 0.375 -14.906 4.387 1.00 0.26 H new ATOM 0 HB2 TYR A 137 -0.678 -12.129 5.043 1.00 0.30 H new ATOM 0 HB3 TYR A 137 0.647 -12.455 3.943 1.00 0.30 H new ATOM 0 HD1 TYR A 137 -0.619 -14.961 2.619 1.00 0.66 H new ATOM 0 HD2 TYR A 137 -2.155 -11.084 3.500 1.00 0.54 H new ATOM 0 HE1 TYR A 137 -2.194 -15.159 0.747 1.00 0.74 H new ATOM 0 HE2 TYR A 137 -3.733 -11.280 1.631 1.00 0.65 H new ATOM 0 HH TYR A 137 -4.169 -14.283 -0.109 1.00 0.77 H new ATOM 2155 N GLY A 138 0.677 -13.541 7.328 1.00 0.24 N ATOM 2156 CA GLY A 138 1.608 -13.227 8.388 1.00 0.23 C ATOM 2157 C GLY A 138 1.822 -11.735 8.495 1.00 0.21 C ATOM 2158 O GLY A 138 2.866 -11.275 8.954 1.00 0.25 O ATOM 0 H GLY A 138 -0.307 -13.477 7.590 1.00 0.24 H new ATOM 0 HA2 GLY A 138 1.230 -13.613 9.335 1.00 0.23 H new ATOM 0 HA3 GLY A 138 2.560 -13.722 8.199 1.00 0.23 H new ATOM 2162 N ILE A 139 0.815 -10.977 8.072 1.00 0.19 N ATOM 2163 CA ILE A 139 0.868 -9.526 8.092 1.00 0.20 C ATOM 2164 C ILE A 139 -0.323 -8.969 8.877 1.00 0.19 C ATOM 2165 O ILE A 139 -1.262 -9.705 9.175 1.00 0.22 O ATOM 2166 CB ILE A 139 0.851 -8.952 6.657 1.00 0.23 C ATOM 2167 CG1 ILE A 139 -0.500 -9.220 5.980 1.00 0.26 C ATOM 2168 CG2 ILE A 139 1.983 -9.546 5.832 1.00 0.28 C ATOM 2169 CD1 ILE A 139 -0.755 -8.356 4.763 1.00 0.51 C ATOM 0 H ILE A 139 -0.059 -11.355 7.706 1.00 0.19 H new ATOM 0 HA ILE A 139 1.798 -9.228 8.576 1.00 0.20 H new ATOM 0 HB ILE A 139 0.995 -7.873 6.720 1.00 0.23 H new ATOM 0 HG12 ILE A 139 -0.547 -10.269 5.686 1.00 0.26 H new ATOM 0 HG13 ILE A 139 -1.298 -9.056 6.704 1.00 0.26 H new ATOM 0 HG21 ILE A 139 1.956 -9.131 4.825 1.00 0.28 H new ATOM 0 HG22 ILE A 139 2.938 -9.305 6.298 1.00 0.28 H new ATOM 0 HG23 ILE A 139 1.867 -10.629 5.781 1.00 0.28 H new ATOM 0 HD11 ILE A 139 -1.728 -8.603 4.339 1.00 0.51 H new ATOM 0 HD12 ILE A 139 -0.741 -7.305 5.053 1.00 0.51 H new ATOM 0 HD13 ILE A 139 0.021 -8.537 4.019 1.00 0.51 H new ATOM 2181 N PRO A 140 -0.298 -7.677 9.243 1.00 0.17 N ATOM 2182 CA PRO A 140 -1.390 -7.049 9.977 1.00 0.19 C ATOM 2183 C PRO A 140 -2.439 -6.419 9.054 1.00 0.16 C ATOM 2184 O PRO A 140 -2.166 -6.144 7.883 1.00 0.19 O ATOM 2185 CB PRO A 140 -0.665 -5.974 10.778 1.00 0.24 C ATOM 2186 CG PRO A 140 0.531 -5.596 9.961 1.00 0.36 C ATOM 2187 CD PRO A 140 0.808 -6.735 9.008 1.00 0.20 C ATOM 0 HA PRO A 140 -1.952 -7.762 10.580 1.00 0.19 H new ATOM 0 HB2 PRO A 140 -1.310 -5.112 10.950 1.00 0.24 H new ATOM 0 HB3 PRO A 140 -0.367 -6.349 11.757 1.00 0.24 H new ATOM 0 HG2 PRO A 140 0.344 -4.673 9.412 1.00 0.36 H new ATOM 0 HG3 PRO A 140 1.393 -5.415 10.604 1.00 0.36 H new ATOM 0 HD2 PRO A 140 0.827 -6.393 7.973 1.00 0.20 H new ATOM 0 HD3 PRO A 140 1.775 -7.197 9.209 1.00 0.20 H new ATOM 2195 N PHE A 141 -3.636 -6.192 9.588 1.00 0.19 N ATOM 2196 CA PHE A 141 -4.722 -5.598 8.820 1.00 0.19 C ATOM 2197 C PHE A 141 -5.292 -4.386 9.557 1.00 0.19 C ATOM 2198 O PHE A 141 -5.590 -4.463 10.750 1.00 0.23 O ATOM 2199 CB PHE A 141 -5.826 -6.632 8.561 1.00 0.25 C ATOM 2200 CG PHE A 141 -7.146 -6.029 8.160 1.00 0.27 C ATOM 2201 CD1 PHE A 141 -7.267 -5.300 6.985 1.00 0.27 C ATOM 2202 CD2 PHE A 141 -8.262 -6.185 8.962 1.00 0.34 C ATOM 2203 CE1 PHE A 141 -8.474 -4.738 6.623 1.00 0.31 C ATOM 2204 CE2 PHE A 141 -9.474 -5.627 8.605 1.00 0.38 C ATOM 2205 CZ PHE A 141 -9.580 -4.902 7.434 1.00 0.35 C ATOM 0 H PHE A 141 -3.877 -6.412 10.554 1.00 0.19 H new ATOM 0 HA PHE A 141 -4.326 -5.268 7.860 1.00 0.19 H new ATOM 0 HB2 PHE A 141 -5.496 -7.313 7.776 1.00 0.25 H new ATOM 0 HB3 PHE A 141 -5.969 -7.229 9.462 1.00 0.25 H new ATOM 0 HD1 PHE A 141 -6.406 -5.171 6.346 1.00 0.27 H new ATOM 0 HD2 PHE A 141 -8.185 -6.750 9.879 1.00 0.34 H new ATOM 0 HE1 PHE A 141 -8.554 -4.171 5.707 1.00 0.31 H new ATOM 0 HE2 PHE A 141 -10.338 -5.757 9.240 1.00 0.38 H new ATOM 0 HZ PHE A 141 -10.526 -4.464 7.153 1.00 0.35 H new ATOM 2215 N ILE A 142 -5.440 -3.274 8.847 1.00 0.18 N ATOM 2216 CA ILE A 142 -5.966 -2.046 9.436 1.00 0.21 C ATOM 2217 C ILE A 142 -7.041 -1.422 8.542 1.00 0.19 C ATOM 2218 O ILE A 142 -6.851 -1.295 7.331 1.00 0.20 O ATOM 2219 CB ILE A 142 -4.837 -1.009 9.669 1.00 0.28 C ATOM 2220 CG1 ILE A 142 -3.770 -1.581 10.601 1.00 0.38 C ATOM 2221 CG2 ILE A 142 -5.398 0.286 10.246 1.00 0.40 C ATOM 2222 CD1 ILE A 142 -2.445 -0.857 10.517 1.00 0.54 C ATOM 0 H ILE A 142 -5.202 -3.196 7.858 1.00 0.18 H new ATOM 0 HA ILE A 142 -6.409 -2.315 10.395 1.00 0.21 H new ATOM 0 HB ILE A 142 -4.380 -0.786 8.705 1.00 0.28 H new ATOM 0 HG12 ILE A 142 -4.134 -1.538 11.627 1.00 0.38 H new ATOM 0 HG13 ILE A 142 -3.616 -2.633 10.362 1.00 0.38 H new ATOM 0 HG21 ILE A 142 -4.586 0.997 10.400 1.00 0.40 H new ATOM 0 HG22 ILE A 142 -6.124 0.709 9.552 1.00 0.40 H new ATOM 0 HG23 ILE A 142 -5.885 0.079 11.199 1.00 0.40 H new ATOM 0 HD11 ILE A 142 -1.735 -1.316 11.205 1.00 0.54 H new ATOM 0 HD12 ILE A 142 -2.059 -0.922 9.500 1.00 0.54 H new ATOM 0 HD13 ILE A 142 -2.585 0.190 10.785 1.00 0.54 H new ATOM 2234 N GLU A 143 -8.175 -1.063 9.134 1.00 0.22 N ATOM 2235 CA GLU A 143 -9.251 -0.423 8.388 1.00 0.21 C ATOM 2236 C GLU A 143 -8.969 1.069 8.302 1.00 0.21 C ATOM 2237 O GLU A 143 -8.683 1.709 9.318 1.00 0.27 O ATOM 2238 CB GLU A 143 -10.604 -0.657 9.060 1.00 0.28 C ATOM 2239 CG GLU A 143 -11.048 -2.111 9.063 1.00 0.34 C ATOM 2240 CD GLU A 143 -12.531 -2.269 8.793 1.00 0.54 C ATOM 2241 OE1 GLU A 143 -13.338 -1.513 9.385 1.00 0.87 O ATOM 2242 OE2 GLU A 143 -12.907 -3.149 7.994 1.00 0.88 O ATOM 0 H GLU A 143 -8.372 -1.204 10.125 1.00 0.22 H new ATOM 0 HA GLU A 143 -9.294 -0.857 7.389 1.00 0.21 H new ATOM 0 HB2 GLU A 143 -10.554 -0.301 10.089 1.00 0.28 H new ATOM 0 HB3 GLU A 143 -11.359 -0.058 8.552 1.00 0.28 H new ATOM 0 HG2 GLU A 143 -10.485 -2.660 8.309 1.00 0.34 H new ATOM 0 HG3 GLU A 143 -10.809 -2.558 10.028 1.00 0.34 H new ATOM 2249 N THR A 144 -9.050 1.624 7.103 1.00 0.24 N ATOM 2250 CA THR A 144 -8.757 3.029 6.909 1.00 0.27 C ATOM 2251 C THR A 144 -9.756 3.701 5.974 1.00 0.26 C ATOM 2252 O THR A 144 -10.649 3.060 5.412 1.00 0.28 O ATOM 2253 CB THR A 144 -7.352 3.227 6.313 1.00 0.36 C ATOM 2254 OG1 THR A 144 -7.295 2.634 5.014 1.00 0.43 O ATOM 2255 CG2 THR A 144 -6.278 2.613 7.196 1.00 0.36 C ATOM 0 H THR A 144 -9.315 1.123 6.255 1.00 0.24 H new ATOM 0 HA THR A 144 -8.820 3.486 7.897 1.00 0.27 H new ATOM 0 HB THR A 144 -7.164 4.299 6.246 1.00 0.36 H new ATOM 0 HG1 THR A 144 -6.461 2.897 4.571 1.00 0.43 H new ATOM 0 HG21 THR A 144 -5.299 2.773 6.743 1.00 0.36 H new ATOM 0 HG22 THR A 144 -6.303 3.082 8.180 1.00 0.36 H new ATOM 0 HG23 THR A 144 -6.460 1.543 7.300 1.00 0.36 H new ATOM 2263 N SER A 145 -9.581 5.002 5.820 1.00 0.25 N ATOM 2264 CA SER A 145 -10.411 5.812 4.952 1.00 0.26 C ATOM 2265 C SER A 145 -9.681 7.110 4.652 1.00 0.26 C ATOM 2266 O SER A 145 -9.427 7.908 5.553 1.00 0.30 O ATOM 2267 CB SER A 145 -11.770 6.100 5.605 1.00 0.27 C ATOM 2268 OG SER A 145 -12.425 7.198 4.982 1.00 0.33 O ATOM 0 H SER A 145 -8.851 5.529 6.300 1.00 0.25 H new ATOM 0 HA SER A 145 -10.600 5.271 4.025 1.00 0.26 H new ATOM 0 HB2 SER A 145 -12.401 5.214 5.540 1.00 0.27 H new ATOM 0 HB3 SER A 145 -11.628 6.313 6.664 1.00 0.27 H new ATOM 0 HG SER A 145 -13.051 6.865 4.306 1.00 0.33 H new ATOM 2274 N ALA A 146 -9.318 7.312 3.391 1.00 0.33 N ATOM 2275 CA ALA A 146 -8.614 8.523 2.988 1.00 0.34 C ATOM 2276 C ALA A 146 -9.522 9.740 3.119 1.00 0.29 C ATOM 2277 O ALA A 146 -9.060 10.881 3.142 1.00 0.32 O ATOM 2278 CB ALA A 146 -8.109 8.387 1.560 1.00 0.45 C ATOM 0 H ALA A 146 -9.499 6.655 2.632 1.00 0.33 H new ATOM 0 HA ALA A 146 -7.758 8.662 3.649 1.00 0.34 H new ATOM 0 HB1 ALA A 146 -7.585 9.298 1.271 1.00 0.45 H new ATOM 0 HB2 ALA A 146 -7.427 7.540 1.495 1.00 0.45 H new ATOM 0 HB3 ALA A 146 -8.953 8.226 0.889 1.00 0.45 H new ATOM 2284 N LYS A 147 -10.813 9.479 3.236 1.00 0.33 N ATOM 2285 CA LYS A 147 -11.814 10.528 3.352 1.00 0.40 C ATOM 2286 C LYS A 147 -11.900 11.066 4.783 1.00 0.40 C ATOM 2287 O LYS A 147 -12.226 12.235 4.998 1.00 0.52 O ATOM 2288 CB LYS A 147 -13.166 9.967 2.917 1.00 0.50 C ATOM 2289 CG LYS A 147 -14.217 11.020 2.618 1.00 0.75 C ATOM 2290 CD LYS A 147 -15.428 10.397 1.945 1.00 1.10 C ATOM 2291 CE LYS A 147 -16.465 11.441 1.594 1.00 1.04 C ATOM 2292 NZ LYS A 147 -17.578 10.872 0.795 1.00 1.32 N ATOM 0 H LYS A 147 -11.198 8.534 3.253 1.00 0.33 H new ATOM 0 HA LYS A 147 -11.528 11.360 2.709 1.00 0.40 H new ATOM 0 HB2 LYS A 147 -13.021 9.353 2.028 1.00 0.50 H new ATOM 0 HB3 LYS A 147 -13.541 9.309 3.701 1.00 0.50 H new ATOM 0 HG2 LYS A 147 -14.521 11.510 3.543 1.00 0.75 H new ATOM 0 HG3 LYS A 147 -13.793 11.790 1.974 1.00 0.75 H new ATOM 0 HD2 LYS A 147 -15.115 9.875 1.041 1.00 1.10 H new ATOM 0 HD3 LYS A 147 -15.870 9.652 2.606 1.00 1.10 H new ATOM 0 HE2 LYS A 147 -16.863 11.879 2.509 1.00 1.04 H new ATOM 0 HE3 LYS A 147 -15.992 12.248 1.034 1.00 1.04 H new ATOM 0 HZ1 LYS A 147 -18.266 11.620 0.576 1.00 1.32 H new ATOM 0 HZ2 LYS A 147 -17.203 10.477 -0.091 1.00 1.32 H new ATOM 0 HZ3 LYS A 147 -18.046 10.119 1.339 1.00 1.32 H new ATOM 2306 N THR A 148 -11.602 10.216 5.759 1.00 0.37 N ATOM 2307 CA THR A 148 -11.675 10.622 7.162 1.00 0.41 C ATOM 2308 C THR A 148 -10.311 10.587 7.852 1.00 0.42 C ATOM 2309 O THR A 148 -10.170 11.035 8.992 1.00 0.49 O ATOM 2310 CB THR A 148 -12.653 9.718 7.931 1.00 0.43 C ATOM 2311 OG1 THR A 148 -12.363 8.344 7.650 1.00 0.40 O ATOM 2312 CG2 THR A 148 -14.097 10.021 7.547 1.00 0.52 C ATOM 0 H THR A 148 -11.310 9.250 5.610 1.00 0.37 H new ATOM 0 HA THR A 148 -12.030 11.653 7.171 1.00 0.41 H new ATOM 0 HB THR A 148 -12.531 9.912 8.997 1.00 0.43 H new ATOM 0 HG1 THR A 148 -12.584 8.147 6.716 1.00 0.40 H new ATOM 0 HG21 THR A 148 -14.767 9.367 8.106 1.00 0.52 H new ATOM 0 HG22 THR A 148 -14.325 11.061 7.782 1.00 0.52 H new ATOM 0 HG23 THR A 148 -14.233 9.852 6.479 1.00 0.52 H new ATOM 2320 N ARG A 149 -9.317 10.038 7.156 1.00 0.39 N ATOM 2321 CA ARG A 149 -7.949 9.923 7.679 1.00 0.46 C ATOM 2322 C ARG A 149 -7.873 8.885 8.795 1.00 0.48 C ATOM 2323 O ARG A 149 -6.873 8.807 9.513 1.00 0.66 O ATOM 2324 CB ARG A 149 -7.430 11.265 8.201 1.00 0.54 C ATOM 2325 CG ARG A 149 -7.102 12.271 7.114 1.00 0.98 C ATOM 2326 CD ARG A 149 -6.099 13.304 7.610 1.00 0.93 C ATOM 2327 NE ARG A 149 -4.798 12.703 7.925 1.00 1.19 N ATOM 2328 CZ ARG A 149 -3.682 12.947 7.246 1.00 1.06 C ATOM 2329 NH1 ARG A 149 -3.705 13.770 6.209 1.00 1.53 N ATOM 2330 NH2 ARG A 149 -2.552 12.335 7.587 1.00 1.39 N ATOM 0 H ARG A 149 -9.433 9.660 6.216 1.00 0.39 H new ATOM 0 HA ARG A 149 -7.320 9.604 6.848 1.00 0.46 H new ATOM 0 HB2 ARG A 149 -8.178 11.697 8.866 1.00 0.54 H new ATOM 0 HB3 ARG A 149 -6.536 11.088 8.799 1.00 0.54 H new ATOM 0 HG2 ARG A 149 -6.696 11.753 6.245 1.00 0.98 H new ATOM 0 HG3 ARG A 149 -8.014 12.771 6.790 1.00 0.98 H new ATOM 0 HD2 ARG A 149 -5.967 14.075 6.851 1.00 0.93 H new ATOM 0 HD3 ARG A 149 -6.495 13.796 8.498 1.00 0.93 H new ATOM 0 HE ARG A 149 -4.747 12.058 8.714 1.00 1.19 H new ATOM 0 HH11 ARG A 149 -4.579 14.216 5.932 1.00 1.53 H new ATOM 0 HH12 ARG A 149 -2.849 13.958 5.688 1.00 1.53 H new ATOM 0 HH21 ARG A 149 -2.543 11.680 8.368 1.00 1.39 H new ATOM 0 HH22 ARG A 149 -1.694 12.521 7.067 1.00 1.39 H new ATOM 2344 N GLN A 150 -8.919 8.076 8.923 1.00 0.40 N ATOM 2345 CA GLN A 150 -8.970 7.052 9.957 1.00 0.42 C ATOM 2346 C GLN A 150 -7.927 5.956 9.723 1.00 0.42 C ATOM 2347 O GLN A 150 -8.006 5.221 8.742 1.00 0.51 O ATOM 2348 CB GLN A 150 -10.370 6.434 10.009 1.00 0.48 C ATOM 2349 CG GLN A 150 -10.534 5.388 11.098 1.00 0.52 C ATOM 2350 CD GLN A 150 -11.911 4.761 11.094 1.00 0.69 C ATOM 2351 OE1 GLN A 150 -12.891 5.384 10.684 1.00 0.87 O ATOM 2352 NE2 GLN A 150 -12.002 3.529 11.570 1.00 0.87 N ATOM 0 H GLN A 150 -9.743 8.111 8.323 1.00 0.40 H new ATOM 0 HA GLN A 150 -8.742 7.530 10.910 1.00 0.42 H new ATOM 0 HB2 GLN A 150 -11.102 7.226 10.165 1.00 0.48 H new ATOM 0 HB3 GLN A 150 -10.593 5.979 9.044 1.00 0.48 H new ATOM 0 HG2 GLN A 150 -9.783 4.609 10.966 1.00 0.52 H new ATOM 0 HG3 GLN A 150 -10.350 5.847 12.069 1.00 0.52 H new ATOM 0 HE21 GLN A 150 -11.166 3.047 11.900 1.00 0.87 H new ATOM 0 HE22 GLN A 150 -12.908 3.062 11.607 1.00 0.87 H new ATOM 2361 N GLY A 151 -6.931 5.890 10.612 1.00 0.42 N ATOM 2362 CA GLY A 151 -5.897 4.861 10.531 1.00 0.51 C ATOM 2363 C GLY A 151 -4.978 4.980 9.324 1.00 0.45 C ATOM 2364 O GLY A 151 -4.112 4.124 9.127 1.00 0.42 O ATOM 0 H GLY A 151 -6.821 6.537 11.393 1.00 0.42 H new ATOM 0 HA2 GLY A 151 -5.292 4.900 11.437 1.00 0.51 H new ATOM 0 HA3 GLY A 151 -6.377 3.883 10.510 1.00 0.51 H new ATOM 2368 N VAL A 152 -5.148 6.024 8.513 1.00 0.49 N ATOM 2369 CA VAL A 152 -4.311 6.212 7.322 1.00 0.50 C ATOM 2370 C VAL A 152 -2.839 6.323 7.708 1.00 0.39 C ATOM 2371 O VAL A 152 -1.985 5.630 7.147 1.00 0.41 O ATOM 2372 CB VAL A 152 -4.735 7.463 6.515 1.00 0.61 C ATOM 2373 CG1 VAL A 152 -3.840 7.655 5.295 1.00 0.74 C ATOM 2374 CG2 VAL A 152 -6.193 7.347 6.097 1.00 0.67 C ATOM 0 H VAL A 152 -5.851 6.749 8.655 1.00 0.49 H new ATOM 0 HA VAL A 152 -4.451 5.335 6.690 1.00 0.50 H new ATOM 0 HB VAL A 152 -4.622 8.339 7.154 1.00 0.61 H new ATOM 0 HG11 VAL A 152 -4.159 8.541 4.745 1.00 0.74 H new ATOM 0 HG12 VAL A 152 -2.807 7.781 5.618 1.00 0.74 H new ATOM 0 HG13 VAL A 152 -3.914 6.781 4.648 1.00 0.74 H new ATOM 0 HG21 VAL A 152 -6.480 8.232 5.530 1.00 0.67 H new ATOM 0 HG22 VAL A 152 -6.324 6.460 5.477 1.00 0.67 H new ATOM 0 HG23 VAL A 152 -6.821 7.265 6.984 1.00 0.67 H new ATOM 2384 N ASP A 153 -2.554 7.174 8.683 1.00 0.37 N ATOM 2385 CA ASP A 153 -1.187 7.374 9.159 1.00 0.38 C ATOM 2386 C ASP A 153 -0.644 6.074 9.742 1.00 0.32 C ATOM 2387 O ASP A 153 0.471 5.651 9.432 1.00 0.33 O ATOM 2388 CB ASP A 153 -1.150 8.467 10.235 1.00 0.51 C ATOM 2389 CG ASP A 153 -1.214 9.875 9.675 1.00 0.87 C ATOM 2390 OD1 ASP A 153 -0.160 10.543 9.605 1.00 1.62 O ATOM 2391 OD2 ASP A 153 -2.325 10.326 9.321 1.00 1.24 O ATOM 0 H ASP A 153 -3.253 7.741 9.164 1.00 0.37 H new ATOM 0 HA ASP A 153 -0.569 7.682 8.316 1.00 0.38 H new ATOM 0 HB2 ASP A 153 -1.985 8.319 10.920 1.00 0.51 H new ATOM 0 HB3 ASP A 153 -0.236 8.359 10.819 1.00 0.51 H new ATOM 2396 N ASP A 154 -1.468 5.442 10.574 1.00 0.31 N ATOM 2397 CA ASP A 154 -1.126 4.182 11.237 1.00 0.32 C ATOM 2398 C ASP A 154 -0.695 3.115 10.239 1.00 0.31 C ATOM 2399 O ASP A 154 0.320 2.445 10.433 1.00 0.34 O ATOM 2400 CB ASP A 154 -2.324 3.663 12.040 1.00 0.38 C ATOM 2401 CG ASP A 154 -2.856 4.684 13.021 1.00 0.71 C ATOM 2402 OD1 ASP A 154 -3.550 5.627 12.585 1.00 0.99 O ATOM 2403 OD2 ASP A 154 -2.582 4.547 14.235 1.00 1.00 O ATOM 0 H ASP A 154 -2.397 5.790 10.810 1.00 0.31 H new ATOM 0 HA ASP A 154 -0.289 4.386 11.905 1.00 0.32 H new ATOM 0 HB2 ASP A 154 -3.120 3.376 11.353 1.00 0.38 H new ATOM 0 HB3 ASP A 154 -2.031 2.763 12.581 1.00 0.38 H new ATOM 2408 N ALA A 155 -1.467 2.969 9.170 1.00 0.30 N ATOM 2409 CA ALA A 155 -1.180 1.976 8.141 1.00 0.32 C ATOM 2410 C ALA A 155 0.211 2.170 7.539 1.00 0.29 C ATOM 2411 O ALA A 155 0.985 1.219 7.423 1.00 0.31 O ATOM 2412 CB ALA A 155 -2.238 2.036 7.053 1.00 0.37 C ATOM 0 H ALA A 155 -2.301 3.528 8.992 1.00 0.30 H new ATOM 0 HA ALA A 155 -1.200 0.993 8.611 1.00 0.32 H new ATOM 0 HB1 ALA A 155 -2.016 1.291 6.288 1.00 0.37 H new ATOM 0 HB2 ALA A 155 -3.217 1.831 7.486 1.00 0.37 H new ATOM 0 HB3 ALA A 155 -2.241 3.029 6.603 1.00 0.37 H new ATOM 2418 N PHE A 156 0.529 3.406 7.181 1.00 0.28 N ATOM 2419 CA PHE A 156 1.823 3.722 6.585 1.00 0.30 C ATOM 2420 C PHE A 156 2.967 3.478 7.571 1.00 0.29 C ATOM 2421 O PHE A 156 3.986 2.895 7.212 1.00 0.33 O ATOM 2422 CB PHE A 156 1.845 5.169 6.095 1.00 0.36 C ATOM 2423 CG PHE A 156 1.148 5.361 4.775 1.00 0.55 C ATOM 2424 CD1 PHE A 156 1.750 4.955 3.595 1.00 1.21 C ATOM 2425 CD2 PHE A 156 -0.107 5.944 4.717 1.00 0.92 C ATOM 2426 CE1 PHE A 156 1.111 5.127 2.379 1.00 1.46 C ATOM 2427 CE2 PHE A 156 -0.750 6.119 3.507 1.00 1.05 C ATOM 2428 CZ PHE A 156 -0.140 5.711 2.337 1.00 1.11 C ATOM 0 H PHE A 156 -0.091 4.208 7.292 1.00 0.28 H new ATOM 0 HA PHE A 156 1.968 3.058 5.733 1.00 0.30 H new ATOM 0 HB2 PHE A 156 1.373 5.806 6.843 1.00 0.36 H new ATOM 0 HB3 PHE A 156 2.880 5.498 6.003 1.00 0.36 H new ATOM 0 HD1 PHE A 156 2.729 4.499 3.624 1.00 1.21 H new ATOM 0 HD2 PHE A 156 -0.589 6.266 5.629 1.00 0.92 H new ATOM 0 HE1 PHE A 156 1.589 4.805 1.466 1.00 1.46 H new ATOM 0 HE2 PHE A 156 -1.729 6.574 3.476 1.00 1.05 H new ATOM 0 HZ PHE A 156 -0.641 5.848 1.390 1.00 1.11 H new ATOM 2438 N TYR A 157 2.781 3.902 8.818 1.00 0.29 N ATOM 2439 CA TYR A 157 3.807 3.728 9.846 1.00 0.34 C ATOM 2440 C TYR A 157 4.055 2.246 10.117 1.00 0.32 C ATOM 2441 O TYR A 157 5.193 1.825 10.337 1.00 0.35 O ATOM 2442 CB TYR A 157 3.400 4.425 11.148 1.00 0.43 C ATOM 2443 CG TYR A 157 3.115 5.908 11.012 1.00 0.47 C ATOM 2444 CD1 TYR A 157 3.633 6.657 9.955 1.00 0.86 C ATOM 2445 CD2 TYR A 157 2.323 6.561 11.947 1.00 0.88 C ATOM 2446 CE1 TYR A 157 3.363 8.007 9.839 1.00 0.98 C ATOM 2447 CE2 TYR A 157 2.051 7.909 11.835 1.00 0.98 C ATOM 2448 CZ TYR A 157 2.571 8.626 10.781 1.00 0.79 C ATOM 2449 OH TYR A 157 2.297 9.973 10.669 1.00 0.99 O ATOM 0 H TYR A 157 1.933 4.367 9.142 1.00 0.29 H new ATOM 0 HA TYR A 157 4.726 4.181 9.475 1.00 0.34 H new ATOM 0 HB2 TYR A 157 2.512 3.933 11.545 1.00 0.43 H new ATOM 0 HB3 TYR A 157 4.195 4.288 11.881 1.00 0.43 H new ATOM 0 HD1 TYR A 157 4.255 6.174 9.216 1.00 0.86 H new ATOM 0 HD2 TYR A 157 1.913 6.004 12.776 1.00 0.88 H new ATOM 0 HE1 TYR A 157 3.770 8.574 9.015 1.00 0.98 H new ATOM 0 HE2 TYR A 157 1.432 8.400 12.572 1.00 0.98 H new ATOM 0 HH TYR A 157 1.381 10.094 10.341 1.00 0.99 H new ATOM 2459 N THR A 158 2.982 1.462 10.085 1.00 0.29 N ATOM 2460 CA THR A 158 3.073 0.028 10.318 1.00 0.28 C ATOM 2461 C THR A 158 3.938 -0.642 9.250 1.00 0.25 C ATOM 2462 O THR A 158 4.793 -1.464 9.569 1.00 0.29 O ATOM 2463 CB THR A 158 1.678 -0.639 10.338 1.00 0.29 C ATOM 2464 OG1 THR A 158 0.865 -0.070 11.378 1.00 0.30 O ATOM 2465 CG2 THR A 158 1.792 -2.142 10.558 1.00 0.34 C ATOM 0 H THR A 158 2.037 1.799 9.899 1.00 0.29 H new ATOM 0 HA THR A 158 3.534 -0.106 11.296 1.00 0.28 H new ATOM 0 HB THR A 158 1.212 -0.458 9.369 1.00 0.29 H new ATOM 0 HG1 THR A 158 0.522 0.800 11.086 1.00 0.30 H new ATOM 0 HG21 THR A 158 0.796 -2.585 10.568 1.00 0.34 H new ATOM 0 HG22 THR A 158 2.378 -2.584 9.752 1.00 0.34 H new ATOM 0 HG23 THR A 158 2.284 -2.334 11.512 1.00 0.34 H new ATOM 2473 N LEU A 159 3.732 -0.261 7.987 1.00 0.23 N ATOM 2474 CA LEU A 159 4.491 -0.838 6.886 1.00 0.23 C ATOM 2475 C LEU A 159 5.988 -0.621 7.084 1.00 0.22 C ATOM 2476 O LEU A 159 6.779 -1.547 6.922 1.00 0.21 O ATOM 2477 CB LEU A 159 4.043 -0.238 5.551 1.00 0.25 C ATOM 2478 CG LEU A 159 4.697 -0.844 4.306 1.00 0.28 C ATOM 2479 CD1 LEU A 159 4.530 -2.353 4.284 1.00 0.40 C ATOM 2480 CD2 LEU A 159 4.115 -0.226 3.045 1.00 0.42 C ATOM 0 H LEU A 159 3.048 0.442 7.707 1.00 0.23 H new ATOM 0 HA LEU A 159 4.298 -1.911 6.870 1.00 0.23 H new ATOM 0 HB2 LEU A 159 2.962 -0.352 5.465 1.00 0.25 H new ATOM 0 HB3 LEU A 159 4.250 0.832 5.565 1.00 0.25 H new ATOM 0 HG LEU A 159 5.764 -0.622 4.342 1.00 0.28 H new ATOM 0 HD11 LEU A 159 5.003 -2.758 3.390 1.00 0.40 H new ATOM 0 HD12 LEU A 159 4.998 -2.784 5.169 1.00 0.40 H new ATOM 0 HD13 LEU A 159 3.469 -2.602 4.277 1.00 0.40 H new ATOM 0 HD21 LEU A 159 4.591 -0.668 2.170 1.00 0.42 H new ATOM 0 HD22 LEU A 159 3.042 -0.415 3.009 1.00 0.42 H new ATOM 0 HD23 LEU A 159 4.294 0.849 3.051 1.00 0.42 H new ATOM 2492 N VAL A 160 6.368 0.597 7.456 1.00 0.26 N ATOM 2493 CA VAL A 160 7.774 0.921 7.679 1.00 0.29 C ATOM 2494 C VAL A 160 8.353 0.054 8.800 1.00 0.27 C ATOM 2495 O VAL A 160 9.481 -0.435 8.705 1.00 0.28 O ATOM 2496 CB VAL A 160 7.983 2.413 8.032 1.00 0.37 C ATOM 2497 CG1 VAL A 160 9.455 2.788 7.919 1.00 0.55 C ATOM 2498 CG2 VAL A 160 7.138 3.306 7.137 1.00 0.34 C ATOM 0 H VAL A 160 5.725 1.374 7.609 1.00 0.26 H new ATOM 0 HA VAL A 160 8.295 0.717 6.743 1.00 0.29 H new ATOM 0 HB VAL A 160 7.664 2.564 9.063 1.00 0.37 H new ATOM 0 HG11 VAL A 160 9.583 3.841 8.171 1.00 0.55 H new ATOM 0 HG12 VAL A 160 10.040 2.177 8.606 1.00 0.55 H new ATOM 0 HG13 VAL A 160 9.797 2.615 6.899 1.00 0.55 H new ATOM 0 HG21 VAL A 160 7.303 4.350 7.405 1.00 0.34 H new ATOM 0 HG22 VAL A 160 7.421 3.150 6.096 1.00 0.34 H new ATOM 0 HG23 VAL A 160 6.084 3.060 7.268 1.00 0.34 H new ATOM 2508 N ARG A 161 7.563 -0.162 9.847 1.00 0.26 N ATOM 2509 CA ARG A 161 8.005 -0.970 10.979 1.00 0.28 C ATOM 2510 C ARG A 161 8.143 -2.439 10.582 1.00 0.23 C ATOM 2511 O ARG A 161 9.016 -3.144 11.092 1.00 0.23 O ATOM 2512 CB ARG A 161 7.052 -0.820 12.163 1.00 0.37 C ATOM 2513 CG ARG A 161 7.212 0.501 12.901 1.00 0.51 C ATOM 2514 CD ARG A 161 6.452 0.508 14.218 1.00 0.61 C ATOM 2515 NE ARG A 161 6.785 1.678 15.028 1.00 0.64 N ATOM 2516 CZ ARG A 161 5.887 2.503 15.554 1.00 0.76 C ATOM 2517 NH1 ARG A 161 4.585 2.302 15.358 1.00 0.82 N ATOM 2518 NH2 ARG A 161 6.297 3.534 16.276 1.00 0.90 N ATOM 0 H ARG A 161 6.617 0.209 9.936 1.00 0.26 H new ATOM 0 HA ARG A 161 8.986 -0.607 11.284 1.00 0.28 H new ATOM 0 HB2 ARG A 161 6.025 -0.907 11.807 1.00 0.37 H new ATOM 0 HB3 ARG A 161 7.219 -1.641 12.861 1.00 0.37 H new ATOM 0 HG2 ARG A 161 8.269 0.686 13.091 1.00 0.51 H new ATOM 0 HG3 ARG A 161 6.854 1.315 12.271 1.00 0.51 H new ATOM 0 HD2 ARG A 161 5.380 0.496 14.020 1.00 0.61 H new ATOM 0 HD3 ARG A 161 6.683 -0.399 14.776 1.00 0.61 H new ATOM 0 HE ARG A 161 7.771 1.874 15.201 1.00 0.64 H new ATOM 0 HH11 ARG A 161 4.270 1.509 14.800 1.00 0.82 H new ATOM 0 HH12 ARG A 161 3.903 2.941 15.766 1.00 0.82 H new ATOM 0 HH21 ARG A 161 7.294 3.689 16.424 1.00 0.90 H new ATOM 0 HH22 ARG A 161 5.616 4.174 16.684 1.00 0.90 H new ATOM 2532 N GLU A 162 7.285 -2.900 9.680 1.00 0.22 N ATOM 2533 CA GLU A 162 7.356 -4.279 9.213 1.00 0.22 C ATOM 2534 C GLU A 162 8.655 -4.484 8.441 1.00 0.21 C ATOM 2535 O GLU A 162 9.322 -5.508 8.592 1.00 0.25 O ATOM 2536 CB GLU A 162 6.147 -4.632 8.341 1.00 0.25 C ATOM 2537 CG GLU A 162 4.833 -4.699 9.107 1.00 0.31 C ATOM 2538 CD GLU A 162 4.987 -5.265 10.507 1.00 0.52 C ATOM 2539 OE1 GLU A 162 5.178 -6.491 10.651 1.00 0.73 O ATOM 2540 OE2 GLU A 162 4.918 -4.482 11.478 1.00 0.68 O ATOM 0 H GLU A 162 6.539 -2.345 9.261 1.00 0.22 H new ATOM 0 HA GLU A 162 7.340 -4.944 10.077 1.00 0.22 H new ATOM 0 HB2 GLU A 162 6.056 -3.891 7.546 1.00 0.25 H new ATOM 0 HB3 GLU A 162 6.326 -5.594 7.861 1.00 0.25 H new ATOM 0 HG2 GLU A 162 4.406 -3.698 9.171 1.00 0.31 H new ATOM 0 HG3 GLU A 162 4.125 -5.313 8.549 1.00 0.31 H new ATOM 2547 N ILE A 163 9.020 -3.492 7.633 1.00 0.20 N ATOM 2548 CA ILE A 163 10.258 -3.550 6.870 1.00 0.23 C ATOM 2549 C ILE A 163 11.435 -3.611 7.839 1.00 0.22 C ATOM 2550 O ILE A 163 12.388 -4.366 7.648 1.00 0.22 O ATOM 2551 CB ILE A 163 10.438 -2.317 5.959 1.00 0.29 C ATOM 2552 CG1 ILE A 163 9.170 -2.043 5.146 1.00 0.27 C ATOM 2553 CG2 ILE A 163 11.626 -2.513 5.033 1.00 0.42 C ATOM 2554 CD1 ILE A 163 9.191 -0.709 4.423 1.00 0.31 C ATOM 0 H ILE A 163 8.476 -2.641 7.492 1.00 0.20 H new ATOM 0 HA ILE A 163 10.216 -4.437 6.238 1.00 0.23 H new ATOM 0 HB ILE A 163 10.626 -1.452 6.595 1.00 0.29 H new ATOM 0 HG12 ILE A 163 9.037 -2.841 4.416 1.00 0.27 H new ATOM 0 HG13 ILE A 163 8.307 -2.073 5.812 1.00 0.27 H new ATOM 0 HG21 ILE A 163 11.740 -1.635 4.397 1.00 0.42 H new ATOM 0 HG22 ILE A 163 12.530 -2.652 5.626 1.00 0.42 H new ATOM 0 HG23 ILE A 163 11.461 -3.393 4.411 1.00 0.42 H new ATOM 0 HD11 ILE A 163 8.262 -0.582 3.868 1.00 0.31 H new ATOM 0 HD12 ILE A 163 9.293 0.097 5.150 1.00 0.31 H new ATOM 0 HD13 ILE A 163 10.033 -0.683 3.732 1.00 0.31 H new ATOM 2566 N ARG A 164 11.339 -2.804 8.892 1.00 0.22 N ATOM 2567 CA ARG A 164 12.357 -2.739 9.934 1.00 0.23 C ATOM 2568 C ARG A 164 12.651 -4.124 10.494 1.00 0.23 C ATOM 2569 O ARG A 164 13.780 -4.607 10.434 1.00 0.25 O ATOM 2570 CB ARG A 164 11.868 -1.852 11.073 1.00 0.26 C ATOM 2571 CG ARG A 164 12.632 -0.559 11.244 1.00 0.33 C ATOM 2572 CD ARG A 164 12.209 0.134 12.529 1.00 0.42 C ATOM 2573 NE ARG A 164 12.337 1.582 12.442 1.00 0.55 N ATOM 2574 CZ ARG A 164 11.669 2.434 13.216 1.00 0.66 C ATOM 2575 NH1 ARG A 164 10.820 1.979 14.135 1.00 0.69 N ATOM 2576 NH2 ARG A 164 11.850 3.738 13.060 1.00 0.87 N ATOM 0 H ARG A 164 10.551 -2.175 9.046 1.00 0.22 H new ATOM 0 HA ARG A 164 13.266 -2.329 9.493 1.00 0.23 H new ATOM 0 HB2 ARG A 164 10.817 -1.617 10.906 1.00 0.26 H new ATOM 0 HB3 ARG A 164 11.924 -2.416 12.004 1.00 0.26 H new ATOM 0 HG2 ARG A 164 13.703 -0.761 11.267 1.00 0.33 H new ATOM 0 HG3 ARG A 164 12.449 0.096 10.392 1.00 0.33 H new ATOM 0 HD2 ARG A 164 11.175 -0.124 12.755 1.00 0.42 H new ATOM 0 HD3 ARG A 164 12.818 -0.234 13.355 1.00 0.42 H new ATOM 0 HE ARG A 164 12.977 1.966 11.746 1.00 0.55 H new ATOM 0 HH11 ARG A 164 10.680 0.975 14.247 1.00 0.69 H new ATOM 0 HH12 ARG A 164 10.310 2.634 14.727 1.00 0.69 H new ATOM 0 HH21 ARG A 164 12.497 4.082 12.351 1.00 0.87 H new ATOM 0 HH22 ARG A 164 11.342 4.398 13.649 1.00 0.87 H new ATOM 2590 N LYS A 165 11.607 -4.763 11.015 1.00 0.27 N ATOM 2591 CA LYS A 165 11.715 -6.093 11.612 1.00 0.32 C ATOM 2592 C LYS A 165 12.167 -7.139 10.597 1.00 0.31 C ATOM 2593 O LYS A 165 12.654 -8.200 10.971 1.00 0.33 O ATOM 2594 CB LYS A 165 10.375 -6.513 12.219 1.00 0.43 C ATOM 2595 CG LYS A 165 10.017 -5.756 13.491 1.00 0.87 C ATOM 2596 CD LYS A 165 8.601 -6.070 13.956 1.00 0.97 C ATOM 2597 CE LYS A 165 7.566 -5.529 12.983 1.00 0.74 C ATOM 2598 NZ LYS A 165 6.181 -5.728 13.474 1.00 0.80 N ATOM 0 H LYS A 165 10.664 -4.375 11.036 1.00 0.27 H new ATOM 0 HA LYS A 165 12.471 -6.035 12.395 1.00 0.32 H new ATOM 0 HB2 LYS A 165 9.588 -6.359 11.481 1.00 0.43 H new ATOM 0 HB3 LYS A 165 10.403 -7.581 12.437 1.00 0.43 H new ATOM 0 HG2 LYS A 165 10.724 -6.015 14.279 1.00 0.87 H new ATOM 0 HG3 LYS A 165 10.113 -4.684 13.316 1.00 0.87 H new ATOM 0 HD2 LYS A 165 8.480 -7.149 14.056 1.00 0.97 H new ATOM 0 HD3 LYS A 165 8.436 -5.638 14.943 1.00 0.97 H new ATOM 0 HE2 LYS A 165 7.743 -4.466 12.820 1.00 0.74 H new ATOM 0 HE3 LYS A 165 7.683 -6.023 12.018 1.00 0.74 H new ATOM 0 HZ1 LYS A 165 5.538 -5.084 12.970 1.00 0.80 H new ATOM 0 HZ2 LYS A 165 5.890 -6.712 13.303 1.00 0.80 H new ATOM 0 HZ3 LYS A 165 6.142 -5.528 14.494 1.00 0.80 H new ATOM 2612 N HIS A 166 12.000 -6.841 9.316 1.00 0.31 N ATOM 2613 CA HIS A 166 12.395 -7.763 8.261 1.00 0.32 C ATOM 2614 C HIS A 166 13.883 -7.622 7.954 1.00 0.29 C ATOM 2615 O HIS A 166 14.554 -8.600 7.633 1.00 0.34 O ATOM 2616 CB HIS A 166 11.567 -7.506 6.994 1.00 0.37 C ATOM 2617 CG HIS A 166 11.884 -8.432 5.855 1.00 0.46 C ATOM 2618 ND1 HIS A 166 11.196 -9.604 5.619 1.00 0.60 N ATOM 2619 CD2 HIS A 166 12.824 -8.354 4.882 1.00 0.54 C ATOM 2620 CE1 HIS A 166 11.701 -10.204 4.559 1.00 0.71 C ATOM 2621 NE2 HIS A 166 12.690 -9.467 4.096 1.00 0.67 N ATOM 0 H HIS A 166 11.593 -5.967 8.982 1.00 0.31 H new ATOM 0 HA HIS A 166 12.208 -8.780 8.605 1.00 0.32 H new ATOM 0 HB2 HIS A 166 10.509 -7.599 7.240 1.00 0.37 H new ATOM 0 HB3 HIS A 166 11.730 -6.479 6.669 1.00 0.37 H new ATOM 0 HD1 HIS A 166 10.417 -9.953 6.178 1.00 0.60 H new ATOM 0 HD2 HIS A 166 13.545 -7.561 4.751 1.00 0.54 H new ATOM 0 HE1 HIS A 166 11.362 -11.140 4.141 1.00 0.71 H new ATOM 2630 N LYS A 167 14.394 -6.403 8.068 1.00 0.27 N ATOM 2631 CA LYS A 167 15.797 -6.131 7.774 1.00 0.30 C ATOM 2632 C LYS A 167 16.694 -6.360 8.990 1.00 0.29 C ATOM 2633 O LYS A 167 17.919 -6.325 8.877 1.00 0.40 O ATOM 2634 CB LYS A 167 15.959 -4.703 7.249 1.00 0.37 C ATOM 2635 CG LYS A 167 15.069 -4.402 6.048 1.00 0.45 C ATOM 2636 CD LYS A 167 15.256 -2.983 5.539 1.00 0.62 C ATOM 2637 CE LYS A 167 16.515 -2.862 4.708 1.00 1.11 C ATOM 2638 NZ LYS A 167 16.688 -1.492 4.173 1.00 0.97 N ATOM 0 H LYS A 167 13.859 -5.586 8.362 1.00 0.27 H new ATOM 0 HA LYS A 167 16.114 -6.834 7.004 1.00 0.30 H new ATOM 0 HB2 LYS A 167 15.729 -4.000 8.049 1.00 0.37 H new ATOM 0 HB3 LYS A 167 17.000 -4.540 6.972 1.00 0.37 H new ATOM 0 HG2 LYS A 167 15.292 -5.106 5.247 1.00 0.45 H new ATOM 0 HG3 LYS A 167 14.025 -4.553 6.324 1.00 0.45 H new ATOM 0 HD2 LYS A 167 14.393 -2.692 4.941 1.00 0.62 H new ATOM 0 HD3 LYS A 167 15.306 -2.295 6.383 1.00 0.62 H new ATOM 0 HE2 LYS A 167 17.380 -3.127 5.316 1.00 1.11 H new ATOM 0 HE3 LYS A 167 16.476 -3.573 3.883 1.00 1.11 H new ATOM 0 HZ1 LYS A 167 17.701 -1.298 4.037 1.00 0.97 H new ATOM 0 HZ2 LYS A 167 16.194 -1.410 3.261 1.00 0.97 H new ATOM 0 HZ3 LYS A 167 16.291 -0.804 4.845 1.00 0.97 H new ATOM 2652 N GLU A 168 16.094 -6.593 10.146 1.00 0.26 N ATOM 2653 CA GLU A 168 16.865 -6.834 11.360 1.00 0.29 C ATOM 2654 C GLU A 168 16.762 -8.295 11.785 1.00 0.33 C ATOM 2655 O GLU A 168 16.926 -8.627 12.963 1.00 0.47 O ATOM 2656 CB GLU A 168 16.411 -5.905 12.496 1.00 0.35 C ATOM 2657 CG GLU A 168 14.945 -6.044 12.866 1.00 0.42 C ATOM 2658 CD GLU A 168 14.594 -5.312 14.144 1.00 0.63 C ATOM 2659 OE1 GLU A 168 14.777 -5.896 15.236 1.00 0.94 O ATOM 2660 OE2 GLU A 168 14.149 -4.145 14.075 1.00 1.12 O ATOM 0 H GLU A 168 15.082 -6.621 10.272 1.00 0.26 H new ATOM 0 HA GLU A 168 17.910 -6.614 11.142 1.00 0.29 H new ATOM 0 HB2 GLU A 168 17.018 -6.106 13.379 1.00 0.35 H new ATOM 0 HB3 GLU A 168 16.604 -4.873 12.205 1.00 0.35 H new ATOM 0 HG2 GLU A 168 14.331 -5.660 12.052 1.00 0.42 H new ATOM 0 HG3 GLU A 168 14.701 -7.100 12.978 1.00 0.42 H new ATOM 2667 N LYS A 169 16.491 -9.172 10.824 1.00 0.34 N ATOM 2668 CA LYS A 169 16.384 -10.597 11.109 1.00 0.41 C ATOM 2669 C LYS A 169 17.750 -11.253 10.982 1.00 0.59 C ATOM 2670 O LYS A 169 18.327 -11.217 9.874 1.00 0.72 O ATOM 2671 CB LYS A 169 15.384 -11.282 10.169 1.00 0.43 C ATOM 2672 CG LYS A 169 13.949 -10.829 10.376 1.00 0.69 C ATOM 2673 CD LYS A 169 12.952 -11.914 10.002 1.00 0.81 C ATOM 2674 CE LYS A 169 11.542 -11.355 9.857 1.00 1.07 C ATOM 2675 NZ LYS A 169 11.101 -10.608 11.066 1.00 1.47 N ATOM 2676 OXT LYS A 169 18.244 -11.797 11.993 1.00 0.82 O ATOM 0 H LYS A 169 16.342 -8.922 9.846 1.00 0.34 H new ATOM 0 HA LYS A 169 16.018 -10.711 12.129 1.00 0.41 H new ATOM 0 HB2 LYS A 169 15.674 -11.084 9.137 1.00 0.43 H new ATOM 0 HB3 LYS A 169 15.441 -12.361 10.315 1.00 0.43 H new ATOM 0 HG2 LYS A 169 13.804 -10.547 11.419 1.00 0.69 H new ATOM 0 HG3 LYS A 169 13.759 -9.939 9.776 1.00 0.69 H new ATOM 0 HD2 LYS A 169 13.257 -12.382 9.066 1.00 0.81 H new ATOM 0 HD3 LYS A 169 12.958 -12.693 10.764 1.00 0.81 H new ATOM 0 HE2 LYS A 169 11.503 -10.694 8.991 1.00 1.07 H new ATOM 0 HE3 LYS A 169 10.848 -12.173 9.665 1.00 1.07 H new ATOM 0 HZ1 LYS A 169 10.079 -10.424 11.007 1.00 1.47 H new ATOM 0 HZ2 LYS A 169 11.302 -11.173 11.916 1.00 1.47 H new ATOM 0 HZ3 LYS A 169 11.613 -9.704 11.122 1.00 1.47 H new TER 2690 LYS A 169 HETATM 2691 PB GDP A 201 -6.546 5.416 -7.028 1.00 0.41 P HETATM 2692 O1B GDP A 201 -6.609 5.908 -8.421 1.00 0.45 O HETATM 2693 O2B GDP A 201 -7.246 4.159 -6.683 1.00 0.53 O HETATM 2694 O3B GDP A 201 -4.995 5.256 -6.630 1.00 0.37 O HETATM 2695 O3A GDP A 201 -7.036 6.579 -6.028 1.00 0.46 O HETATM 2696 PA GDP A 201 -7.312 8.073 -6.561 1.00 0.42 P HETATM 2697 O1A GDP A 201 -7.110 8.103 -8.027 1.00 0.42 O HETATM 2698 O2A GDP A 201 -6.531 9.006 -5.720 1.00 0.45 O HETATM 2699 O5' GDP A 201 -8.881 8.270 -6.245 1.00 0.44 O HETATM 2700 C5' GDP A 201 -9.852 7.996 -7.258 1.00 0.50 C HETATM 2701 C4' GDP A 201 -11.266 8.213 -6.710 1.00 0.48 C HETATM 2702 O4' GDP A 201 -11.447 7.413 -5.528 1.00 0.46 O HETATM 2703 C3' GDP A 201 -11.433 9.657 -6.266 1.00 0.43 C HETATM 2704 O3' GDP A 201 -12.813 10.048 -6.319 1.00 0.47 O HETATM 2705 C2' GDP A 201 -10.962 9.570 -4.830 1.00 0.34 C HETATM 2706 O2' GDP A 201 -11.412 10.700 -4.071 1.00 0.33 O HETATM 2707 C1' GDP A 201 -11.729 8.318 -4.447 1.00 0.36 C HETATM 2708 N9 GDP A 201 -11.311 7.773 -3.139 1.00 0.31 N HETATM 2709 C8 GDP A 201 -10.073 7.418 -2.811 1.00 0.29 C HETATM 2710 N7 GDP A 201 -10.075 7.089 -1.523 1.00 0.28 N HETATM 2711 C5 GDP A 201 -11.311 7.243 -1.058 1.00 0.28 C HETATM 2712 C6 GDP A 201 -11.815 7.062 0.160 1.00 0.31 C HETATM 2713 O6 GDP A 201 -11.091 6.723 1.095 1.00 0.34 O HETATM 2714 N1 GDP A 201 -13.171 7.310 0.391 1.00 0.38 N HETATM 2715 C2 GDP A 201 -13.955 7.754 -0.680 1.00 0.42 C HETATM 2716 N2 GDP A 201 -15.250 8.004 -0.501 1.00 0.54 N HETATM 2717 N3 GDP A 201 -13.387 7.917 -1.882 1.00 0.38 N HETATM 2718 C4 GDP A 201 -12.079 7.664 -2.060 1.00 0.31 C HETATM 0 HO3' GDP A 201 -12.884 10.948 -6.701 1.00 0.47 H new HETATM 0 HO2' GDP A 201 -11.174 10.577 -3.128 1.00 0.33 H new HETATM 0 HN22 GDP A 201 -15.820 8.328 -1.283 1.00 0.54 H new HETATM 0 HN21 GDP A 201 -15.673 7.872 0.418 1.00 0.54 H new HETATM 0 H5'' GDP A 201 -9.684 8.645 -8.118 1.00 0.50 H new HETATM 0 HN1 GDP A 201 -13.578 7.171 1.316 1.00 0.38 H new HETATM 0 H8 GDP A 201 -9.211 7.400 -3.478 1.00 0.29 H new HETATM 0 H5' GDP A 201 -9.743 6.969 -7.608 1.00 0.50 H new HETATM 0 H4' GDP A 201 -11.978 7.952 -7.493 1.00 0.48 H new HETATM 0 H3' GDP A 201 -10.899 10.384 -6.878 1.00 0.43 H new HETATM 0 H2' GDP A 201 -9.884 9.550 -4.671 1.00 0.34 H new HETATM 0 H1' GDP A 201 -12.795 8.506 -4.318 1.00 0.36 H new HETATM 2731 MG MG A 202 -2.482 7.061 -8.310 1.00 0.45 MG HETATM 2732 C5 QPD A 203 10.067 1.242 -4.893 1.00 0.58 C HETATM 2733 O2 QPD A 203 9.449 5.753 -11.339 1.00 1.67 O HETATM 2734 C16 QPD A 203 10.600 1.323 -14.015 1.00 1.69 C HETATM 2735 C14 QPD A 203 10.743 3.024 -12.316 1.00 0.73 C HETATM 2736 C8 QPD A 203 10.965 3.545 -8.455 1.00 0.50 C HETATM 2737 C4 QPD A 203 10.548 1.873 -6.033 1.00 0.55 C HETATM 2738 N1 QPD A 203 9.413 5.099 -5.881 1.00 0.28 N HETATM 2739 C3 QPD A 203 10.613 3.971 -7.245 1.00 0.44 C HETATM 2740 O1 QPD A 203 11.171 2.350 -8.665 1.00 0.68 O HETATM 2741 C2 QPD A 203 10.080 5.171 -7.028 1.00 0.36 C HETATM 2742 C7 QPD A 203 9.033 3.310 -4.299 1.00 0.37 C HETATM 2743 C12 QPD A 203 9.214 4.546 -11.309 1.00 1.47 C HETATM 2744 C18 QPD A 203 12.253 3.068 -14.190 1.00 1.59 C HETATM 2745 C6 QPD A 203 9.292 1.976 -4.005 1.00 0.50 C HETATM 2746 C11 QPD A 203 10.336 3.530 -11.087 1.00 0.91 C HETATM 2747 C15 QPD A 203 10.145 1.877 -12.824 1.00 1.28 C HETATM 2748 C17 QPD A 203 11.653 1.920 -14.700 1.00 1.84 C HETATM 2749 C19 QPD A 203 11.794 3.622 -13.002 1.00 0.95 C HETATM 2750 C4A QPD A 203 10.269 3.155 -6.253 1.00 0.40 C HETATM 2751 C7A QPD A 203 9.525 3.863 -5.406 1.00 0.29 C HETATM 2752 N9 QPD A 203 11.162 4.507 -9.366 1.00 0.60 N HETATM 2753 N10 QPD A 203 11.461 4.178 -10.396 1.00 0.74 N HETATM 2754 N13 QPD A 203 8.005 4.020 -11.483 1.00 2.26 N