USER MOD reduce.3.24.130724 H: found=0, std=0, add=997, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 993 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 ASN :FLIP amide:sc= -3.25! C(o=-7.3!,f=-5!) USER MOD Set 1.2: A 45 GLN : amide:sc= -1.72! C(o=-5!,f=-11!) USER MOD Single : A 1 ASP N :NH3+ -112:sc= 0.127 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN :FLIP amide:sc= -0.556! C(o=-2.2!,f=-0.56!) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 14 LYS NZ :NH3+ 147:sc= 0.0216 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl -151:sc= -2.95! (180deg=-7.94!) USER MOD Single : A 22 HIS : no HD1:sc= -0.141 X(o=-0.14,f=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 30 HIS :FLIP no HD1:sc= -0.685 F(o=-2.1!,f=-0.68) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.265 USER MOD Single : A 46 ASN : amide:sc= -1.26 X(o=-1.3,f=-1.8!) USER MOD Single : A 47 THR OG1 : rot -130:sc= 0.0752 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0603 USER MOD Single : A 71 ASN : amide:sc= -2.16! C(o=-2.2!,f=-12!) USER MOD Single : A 74 HIS : no HD1:sc= -0.174 X(o=-0.17,f=-0.04) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -2.05 K(o=-2,f=-7.9!) USER MOD Single : A 85 GLN : amide:sc= -0.427 K(o=-0.43,f=-2.8!) USER MOD Single : A 86 TYR OH : rot 180:sc= 0.193 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot 33:sc= -6.75! USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.0884 USER MOD Single : A 93 ASN : amide:sc= -0.471 K(o=-0.47,f=-3.5!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot -110:sc= -0.0144 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0478) USER MOD Single : A 114 ASN : amide:sc= 0 X(o=0,f=-0.094) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0.0622 USER MOD Single : A 124 HIS : no HD1:sc= -0.462 X(o=-0.46,f=-0.28) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -0.641 0.525 0.625 1.00 1.26 N ATOM 2 CA ASP A 1 0.597 1.261 0.244 1.00 0.88 C ATOM 3 C ASP A 1 1.539 1.333 1.446 1.00 0.77 C ATOM 4 O ASP A 1 1.154 1.061 2.566 1.00 0.89 O ATOM 5 CB ASP A 1 0.232 2.679 -0.202 1.00 1.25 C ATOM 6 CG ASP A 1 0.042 2.705 -1.719 1.00 1.40 C ATOM 7 OD1 ASP A 1 0.993 2.404 -2.421 1.00 1.96 O ATOM 8 OD2 ASP A 1 -1.053 3.025 -2.154 1.00 1.48 O ATOM 0 H1 ASP A 1 -0.675 -0.383 0.118 1.00 1.26 H new ATOM 0 H2 ASP A 1 -0.639 0.349 1.650 1.00 1.26 H new ATOM 0 H3 ASP A 1 -1.474 1.094 0.373 1.00 1.26 H new ATOM 0 HA ASP A 1 1.091 0.738 -0.575 1.00 0.88 H new ATOM 0 HB2 ASP A 1 -0.682 3.004 0.295 1.00 1.25 H new ATOM 0 HB3 ASP A 1 1.018 3.376 0.089 1.00 1.25 H new ATOM 15 N GLN A 2 2.772 1.698 1.225 1.00 0.66 N ATOM 16 CA GLN A 2 3.737 1.788 2.356 1.00 0.59 C ATOM 17 C GLN A 2 3.482 3.077 3.140 1.00 0.56 C ATOM 18 O GLN A 2 2.993 4.053 2.606 1.00 0.60 O ATOM 19 CB GLN A 2 5.166 1.793 1.809 1.00 0.63 C ATOM 20 CG GLN A 2 5.757 3.199 1.926 1.00 1.18 C ATOM 21 CD GLN A 2 7.163 3.212 1.324 1.00 1.31 C ATOM 22 OE1 GLN A 2 8.128 3.483 2.011 1.00 1.75 O ATOM 23 NE2 GLN A 2 7.321 2.929 0.060 1.00 1.68 N ATOM 0 H GLN A 2 3.153 1.938 0.310 1.00 0.66 H new ATOM 0 HA GLN A 2 3.607 0.930 3.016 1.00 0.59 H new ATOM 0 HB2 GLN A 2 5.780 1.083 2.362 1.00 0.63 H new ATOM 0 HB3 GLN A 2 5.168 1.472 0.767 1.00 0.63 H new ATOM 0 HG2 GLN A 2 5.121 3.917 1.408 1.00 1.18 H new ATOM 0 HG3 GLN A 2 5.795 3.504 2.972 1.00 1.18 H new ATOM 0 HE21 GLN A 2 6.511 2.701 -0.517 1.00 1.68 H new ATOM 0 HE22 GLN A 2 8.254 2.935 -0.351 1.00 1.68 H new ATOM 32 N VAL A 3 3.806 3.088 4.404 1.00 0.56 N ATOM 33 CA VAL A 3 3.578 4.314 5.219 1.00 0.59 C ATOM 34 C VAL A 3 4.915 5.002 5.496 1.00 0.47 C ATOM 35 O VAL A 3 5.970 4.428 5.310 1.00 0.46 O ATOM 36 CB VAL A 3 2.917 3.929 6.544 1.00 0.70 C ATOM 37 CG1 VAL A 3 1.408 3.784 6.339 1.00 0.64 C ATOM 38 CG2 VAL A 3 3.495 2.599 7.033 1.00 0.98 C ATOM 0 H VAL A 3 4.218 2.302 4.907 1.00 0.56 H new ATOM 0 HA VAL A 3 2.927 4.997 4.672 1.00 0.59 H new ATOM 0 HB VAL A 3 3.109 4.705 7.285 1.00 0.70 H new ATOM 0 HG11 VAL A 3 0.937 3.510 7.283 1.00 0.64 H new ATOM 0 HG12 VAL A 3 0.996 4.731 5.989 1.00 0.64 H new ATOM 0 HG13 VAL A 3 1.214 3.008 5.598 1.00 0.64 H new ATOM 0 HG21 VAL A 3 3.025 2.323 7.977 1.00 0.98 H new ATOM 0 HG22 VAL A 3 3.302 1.824 6.291 1.00 0.98 H new ATOM 0 HG23 VAL A 3 4.570 2.701 7.179 1.00 0.98 H new ATOM 48 N ASP A 4 4.881 6.229 5.941 1.00 0.45 N ATOM 49 CA ASP A 4 6.151 6.953 6.228 1.00 0.39 C ATOM 50 C ASP A 4 6.599 6.651 7.659 1.00 0.32 C ATOM 51 O ASP A 4 5.907 6.945 8.613 1.00 0.39 O ATOM 52 CB ASP A 4 5.926 8.459 6.072 1.00 0.52 C ATOM 53 CG ASP A 4 7.278 9.174 6.011 1.00 0.92 C ATOM 54 OD1 ASP A 4 8.158 8.800 6.768 1.00 1.25 O ATOM 55 OD2 ASP A 4 7.409 10.082 5.208 1.00 1.59 O ATOM 0 H ASP A 4 4.029 6.761 6.118 1.00 0.45 H new ATOM 0 HA ASP A 4 6.921 6.626 5.529 1.00 0.39 H new ATOM 0 HB2 ASP A 4 5.355 8.660 5.165 1.00 0.52 H new ATOM 0 HB3 ASP A 4 5.339 8.838 6.909 1.00 0.52 H new ATOM 60 N VAL A 5 7.756 6.068 7.815 1.00 0.28 N ATOM 61 CA VAL A 5 8.253 5.749 9.183 1.00 0.30 C ATOM 62 C VAL A 5 9.783 5.775 9.182 1.00 0.38 C ATOM 63 O VAL A 5 10.414 5.614 8.156 1.00 0.45 O ATOM 64 CB VAL A 5 7.763 4.358 9.595 1.00 0.33 C ATOM 65 CG1 VAL A 5 6.252 4.265 9.380 1.00 0.61 C ATOM 66 CG2 VAL A 5 8.461 3.292 8.746 1.00 0.73 C ATOM 0 H VAL A 5 8.379 5.799 7.054 1.00 0.28 H new ATOM 0 HA VAL A 5 7.876 6.487 9.891 1.00 0.30 H new ATOM 0 HB VAL A 5 7.995 4.193 10.647 1.00 0.33 H new ATOM 0 HG11 VAL A 5 5.903 3.275 9.673 1.00 0.61 H new ATOM 0 HG12 VAL A 5 5.751 5.020 9.986 1.00 0.61 H new ATOM 0 HG13 VAL A 5 6.023 4.433 8.328 1.00 0.61 H new ATOM 0 HG21 VAL A 5 8.110 2.304 9.042 1.00 0.73 H new ATOM 0 HG22 VAL A 5 8.232 3.458 7.693 1.00 0.73 H new ATOM 0 HG23 VAL A 5 9.539 3.354 8.897 1.00 0.73 H new ATOM 76 N LYS A 6 10.384 5.976 10.321 1.00 0.45 N ATOM 77 CA LYS A 6 11.872 6.011 10.379 1.00 0.58 C ATOM 78 C LYS A 6 12.369 4.911 11.316 1.00 0.52 C ATOM 79 O LYS A 6 12.218 4.991 12.519 1.00 0.51 O ATOM 80 CB LYS A 6 12.333 7.374 10.899 1.00 0.73 C ATOM 81 CG LYS A 6 13.337 7.982 9.918 1.00 1.23 C ATOM 82 CD LYS A 6 14.019 9.189 10.565 1.00 1.76 C ATOM 83 CE LYS A 6 13.041 10.364 10.609 1.00 2.50 C ATOM 84 NZ LYS A 6 13.072 11.085 9.305 1.00 3.47 N ATOM 0 H LYS A 6 9.910 6.117 11.213 1.00 0.45 H new ATOM 0 HA LYS A 6 12.279 5.850 9.381 1.00 0.58 H new ATOM 0 HB2 LYS A 6 11.477 8.038 11.018 1.00 0.73 H new ATOM 0 HB3 LYS A 6 12.790 7.264 11.882 1.00 0.73 H new ATOM 0 HG2 LYS A 6 14.082 7.238 9.637 1.00 1.23 H new ATOM 0 HG3 LYS A 6 12.829 8.286 9.003 1.00 1.23 H new ATOM 0 HD2 LYS A 6 14.347 8.937 11.573 1.00 1.76 H new ATOM 0 HD3 LYS A 6 14.909 9.464 9.999 1.00 1.76 H new ATOM 0 HE2 LYS A 6 12.033 10.004 10.814 1.00 2.50 H new ATOM 0 HE3 LYS A 6 13.308 11.043 11.419 1.00 2.50 H new ATOM 0 HZ1 LYS A 6 12.407 11.884 9.334 1.00 3.47 H new ATOM 0 HZ2 LYS A 6 14.033 11.441 9.128 1.00 3.47 H new ATOM 0 HZ3 LYS A 6 12.797 10.434 8.542 1.00 3.47 H new ATOM 98 N ASP A 7 12.962 3.883 10.775 1.00 0.55 N ATOM 99 CA ASP A 7 13.468 2.780 11.637 1.00 0.52 C ATOM 100 C ASP A 7 14.360 3.363 12.735 1.00 0.54 C ATOM 101 O ASP A 7 15.412 3.909 12.468 1.00 0.85 O ATOM 102 CB ASP A 7 14.279 1.799 10.786 1.00 0.62 C ATOM 103 CG ASP A 7 13.545 1.539 9.469 1.00 1.18 C ATOM 104 OD1 ASP A 7 12.362 1.830 9.404 1.00 1.87 O ATOM 105 OD2 ASP A 7 14.179 1.052 8.547 1.00 2.35 O ATOM 0 H ASP A 7 13.118 3.760 9.775 1.00 0.55 H new ATOM 0 HA ASP A 7 12.627 2.256 12.091 1.00 0.52 H new ATOM 0 HB2 ASP A 7 15.270 2.206 10.588 1.00 0.62 H new ATOM 0 HB3 ASP A 7 14.421 0.863 11.327 1.00 0.62 H new ATOM 110 N CYS A 8 13.948 3.251 13.968 1.00 0.48 N ATOM 111 CA CYS A 8 14.774 3.799 15.081 1.00 0.56 C ATOM 112 C CYS A 8 15.818 2.761 15.495 1.00 0.54 C ATOM 113 O CYS A 8 16.495 2.910 16.494 1.00 0.76 O ATOM 114 CB CYS A 8 13.872 4.125 16.274 1.00 0.63 C ATOM 115 SG CYS A 8 13.938 2.769 17.472 1.00 0.73 S ATOM 0 H CYS A 8 13.076 2.804 14.253 1.00 0.48 H new ATOM 0 HA CYS A 8 15.277 4.708 14.750 1.00 0.56 H new ATOM 0 HB2 CYS A 8 14.194 5.055 16.743 1.00 0.63 H new ATOM 0 HB3 CYS A 8 12.847 4.277 15.937 1.00 0.63 H new ATOM 120 N ALA A 9 15.955 1.709 14.735 1.00 0.43 N ATOM 121 CA ALA A 9 16.954 0.662 15.086 1.00 0.44 C ATOM 122 C ALA A 9 18.289 0.982 14.422 1.00 0.50 C ATOM 123 O ALA A 9 19.256 1.322 15.075 1.00 0.61 O ATOM 124 CB ALA A 9 16.476 -0.698 14.578 1.00 0.40 C ATOM 0 H ALA A 9 15.418 1.530 13.886 1.00 0.43 H new ATOM 0 HA ALA A 9 17.071 0.637 16.169 1.00 0.44 H new ATOM 0 HB1 ALA A 9 17.210 -1.461 14.837 1.00 0.40 H new ATOM 0 HB2 ALA A 9 15.519 -0.943 15.039 1.00 0.40 H new ATOM 0 HB3 ALA A 9 16.358 -0.661 13.495 1.00 0.40 H new ATOM 130 N ASN A 10 18.353 0.857 13.127 1.00 0.50 N ATOM 131 CA ASN A 10 19.628 1.131 12.417 1.00 0.59 C ATOM 132 C ASN A 10 19.489 0.715 10.953 1.00 0.60 C ATOM 133 O ASN A 10 20.234 -0.107 10.458 1.00 0.80 O ATOM 134 CB ASN A 10 20.736 0.312 13.075 1.00 0.65 C ATOM 135 CG ASN A 10 21.736 1.250 13.753 1.00 1.30 C ATOM 136 OD1 ASN A 10 23.015 1.054 13.582 1.00 2.40 O flip ATOM 137 ND2 ASN A 10 21.350 2.171 14.445 1.00 1.52 N flip ATOM 0 H ASN A 10 17.575 0.576 12.530 1.00 0.50 H new ATOM 0 HA ASN A 10 19.868 2.193 12.469 1.00 0.59 H new ATOM 0 HB2 ASN A 10 20.309 -0.372 13.808 1.00 0.65 H new ATOM 0 HB3 ASN A 10 21.244 -0.298 12.328 1.00 0.65 H new ATOM 0 HD21 ASN A 10 20.351 2.324 14.579 1.00 1.52 H new ATOM 0 HD22 ASN A 10 22.025 2.791 14.892 1.00 1.52 H new ATOM 144 N ASN A 11 18.534 1.267 10.255 1.00 0.60 N ATOM 145 CA ASN A 11 18.347 0.888 8.828 1.00 0.62 C ATOM 146 C ASN A 11 17.942 -0.585 8.755 1.00 0.57 C ATOM 147 O ASN A 11 17.971 -1.198 7.706 1.00 0.82 O ATOM 148 CB ASN A 11 19.659 1.095 8.069 1.00 0.74 C ATOM 149 CG ASN A 11 19.359 1.361 6.593 1.00 1.25 C ATOM 150 OD1 ASN A 11 19.378 0.455 5.784 1.00 2.20 O ATOM 151 ND2 ASN A 11 19.082 2.576 6.205 1.00 1.87 N ATOM 0 H ASN A 11 17.878 1.962 10.611 1.00 0.60 H new ATOM 0 HA ASN A 11 17.570 1.508 8.379 1.00 0.62 H new ATOM 0 HB2 ASN A 11 20.210 1.933 8.496 1.00 0.74 H new ATOM 0 HB3 ASN A 11 20.292 0.213 8.169 1.00 0.74 H new ATOM 0 HD21 ASN A 11 18.882 2.764 5.223 1.00 1.87 H new ATOM 0 HD22 ASN A 11 19.066 3.337 6.884 1.00 1.87 H new ATOM 158 N GLU A 12 17.567 -1.158 9.867 1.00 0.41 N ATOM 159 CA GLU A 12 17.164 -2.591 9.872 1.00 0.38 C ATOM 160 C GLU A 12 15.922 -2.782 9.001 1.00 0.33 C ATOM 161 O GLU A 12 15.970 -3.421 7.969 1.00 0.38 O ATOM 162 CB GLU A 12 16.853 -3.027 11.305 1.00 0.40 C ATOM 163 CG GLU A 12 17.846 -4.108 11.735 1.00 0.67 C ATOM 164 CD GLU A 12 19.274 -3.591 11.555 1.00 0.85 C ATOM 165 OE1 GLU A 12 19.821 -3.780 10.481 1.00 1.49 O ATOM 166 OE2 GLU A 12 19.797 -3.013 12.494 1.00 1.71 O ATOM 0 H GLU A 12 17.523 -0.693 10.774 1.00 0.41 H new ATOM 0 HA GLU A 12 17.979 -3.196 9.474 1.00 0.38 H new ATOM 0 HB2 GLU A 12 16.915 -2.172 11.978 1.00 0.40 H new ATOM 0 HB3 GLU A 12 15.834 -3.408 11.368 1.00 0.40 H new ATOM 0 HG2 GLU A 12 17.675 -4.380 12.777 1.00 0.67 H new ATOM 0 HG3 GLU A 12 17.697 -5.010 11.142 1.00 0.67 H new ATOM 173 N ILE A 13 14.805 -2.240 9.408 1.00 0.29 N ATOM 174 CA ILE A 13 13.567 -2.408 8.595 1.00 0.27 C ATOM 175 C ILE A 13 13.813 -1.887 7.177 1.00 0.30 C ATOM 176 O ILE A 13 14.301 -0.792 6.981 1.00 0.41 O ATOM 177 CB ILE A 13 12.411 -1.631 9.237 1.00 0.32 C ATOM 178 CG1 ILE A 13 12.345 -1.953 10.735 1.00 0.30 C ATOM 179 CG2 ILE A 13 11.091 -2.022 8.568 1.00 0.40 C ATOM 180 CD1 ILE A 13 10.988 -2.578 11.078 1.00 0.33 C ATOM 0 H ILE A 13 14.697 -1.692 10.262 1.00 0.29 H new ATOM 0 HA ILE A 13 13.305 -3.465 8.554 1.00 0.27 H new ATOM 0 HB ILE A 13 12.578 -0.562 9.104 1.00 0.32 H new ATOM 0 HG12 ILE A 13 13.149 -2.639 11.004 1.00 0.30 H new ATOM 0 HG13 ILE A 13 12.494 -1.044 11.318 1.00 0.30 H new ATOM 0 HG21 ILE A 13 10.272 -1.468 9.027 1.00 0.40 H new ATOM 0 HG22 ILE A 13 11.138 -1.786 7.505 1.00 0.40 H new ATOM 0 HG23 ILE A 13 10.921 -3.091 8.695 1.00 0.40 H new ATOM 0 HD11 ILE A 13 10.950 -2.803 12.144 1.00 0.33 H new ATOM 0 HD12 ILE A 13 10.191 -1.878 10.827 1.00 0.33 H new ATOM 0 HD13 ILE A 13 10.856 -3.498 10.508 1.00 0.33 H new ATOM 192 N LYS A 14 13.478 -2.668 6.186 1.00 0.28 N ATOM 193 CA LYS A 14 13.691 -2.230 4.780 1.00 0.32 C ATOM 194 C LYS A 14 12.467 -1.454 4.298 1.00 0.34 C ATOM 195 O LYS A 14 12.505 -0.789 3.281 1.00 0.49 O ATOM 196 CB LYS A 14 13.887 -3.460 3.891 1.00 0.46 C ATOM 197 CG LYS A 14 14.903 -4.402 4.541 1.00 0.55 C ATOM 198 CD LYS A 14 16.321 -3.917 4.230 1.00 0.71 C ATOM 199 CE LYS A 14 17.028 -3.537 5.532 1.00 0.72 C ATOM 200 NZ LYS A 14 18.442 -3.166 5.239 1.00 1.13 N ATOM 0 H LYS A 14 13.064 -3.594 6.292 1.00 0.28 H new ATOM 0 HA LYS A 14 14.573 -1.592 4.728 1.00 0.32 H new ATOM 0 HB2 LYS A 14 12.937 -3.975 3.749 1.00 0.46 H new ATOM 0 HB3 LYS A 14 14.236 -3.157 2.904 1.00 0.46 H new ATOM 0 HG2 LYS A 14 14.747 -4.434 5.619 1.00 0.55 H new ATOM 0 HG3 LYS A 14 14.764 -5.417 4.168 1.00 0.55 H new ATOM 0 HD2 LYS A 14 16.879 -4.699 3.716 1.00 0.71 H new ATOM 0 HD3 LYS A 14 16.284 -3.058 3.560 1.00 0.71 H new ATOM 0 HE2 LYS A 14 16.513 -2.703 6.008 1.00 0.72 H new ATOM 0 HE3 LYS A 14 16.997 -4.372 6.232 1.00 0.72 H new ATOM 0 HZ1 LYS A 14 18.751 -2.427 5.902 1.00 1.13 H new ATOM 0 HZ2 LYS A 14 19.050 -4.003 5.346 1.00 1.13 H new ATOM 0 HZ3 LYS A 14 18.513 -2.809 4.265 1.00 1.13 H new ATOM 214 N LYS A 15 11.381 -1.535 5.018 1.00 0.31 N ATOM 215 CA LYS A 15 10.152 -0.804 4.597 1.00 0.43 C ATOM 216 C LYS A 15 8.935 -1.395 5.309 1.00 0.35 C ATOM 217 O LYS A 15 8.709 -2.588 5.291 1.00 0.35 O ATOM 218 CB LYS A 15 9.966 -0.940 3.083 1.00 0.62 C ATOM 219 CG LYS A 15 8.499 -1.246 2.774 1.00 0.77 C ATOM 220 CD LYS A 15 8.298 -1.298 1.258 1.00 1.05 C ATOM 221 CE LYS A 15 8.970 -2.552 0.696 1.00 0.99 C ATOM 222 NZ LYS A 15 9.398 -2.299 -0.709 1.00 1.69 N ATOM 0 H LYS A 15 11.292 -2.075 5.879 1.00 0.31 H new ATOM 0 HA LYS A 15 10.253 0.249 4.859 1.00 0.43 H new ATOM 0 HB2 LYS A 15 10.269 -0.019 2.585 1.00 0.62 H new ATOM 0 HB3 LYS A 15 10.603 -1.736 2.698 1.00 0.62 H new ATOM 0 HG2 LYS A 15 8.212 -2.197 3.223 1.00 0.77 H new ATOM 0 HG3 LYS A 15 7.857 -0.481 3.211 1.00 0.77 H new ATOM 0 HD2 LYS A 15 7.234 -1.306 1.022 1.00 1.05 H new ATOM 0 HD3 LYS A 15 8.721 -0.407 0.794 1.00 1.05 H new ATOM 0 HE2 LYS A 15 9.832 -2.821 1.307 1.00 0.99 H new ATOM 0 HE3 LYS A 15 8.279 -3.394 0.731 1.00 0.99 H new ATOM 0 HZ1 LYS A 15 9.855 -3.151 -1.092 1.00 1.69 H new ATOM 0 HZ2 LYS A 15 8.567 -2.062 -1.288 1.00 1.69 H new ATOM 0 HZ3 LYS A 15 10.071 -1.507 -0.729 1.00 1.69 H new ATOM 236 N VAL A 16 8.149 -0.565 5.934 1.00 0.40 N ATOM 237 CA VAL A 16 6.943 -1.069 6.646 1.00 0.39 C ATOM 238 C VAL A 16 5.693 -0.477 5.988 1.00 0.35 C ATOM 239 O VAL A 16 5.580 0.720 5.816 1.00 0.44 O ATOM 240 CB VAL A 16 7.013 -0.635 8.110 1.00 0.52 C ATOM 241 CG1 VAL A 16 5.817 0.261 8.435 1.00 0.68 C ATOM 242 CG2 VAL A 16 6.987 -1.869 9.017 1.00 0.59 C ATOM 0 H VAL A 16 8.290 0.444 5.983 1.00 0.40 H new ATOM 0 HA VAL A 16 6.900 -2.157 6.592 1.00 0.39 H new ATOM 0 HB VAL A 16 7.938 -0.083 8.278 1.00 0.52 H new ATOM 0 HG11 VAL A 16 5.867 0.570 9.479 1.00 0.68 H new ATOM 0 HG12 VAL A 16 5.838 1.142 7.794 1.00 0.68 H new ATOM 0 HG13 VAL A 16 4.892 -0.290 8.264 1.00 0.68 H new ATOM 0 HG21 VAL A 16 7.037 -1.555 10.060 1.00 0.59 H new ATOM 0 HG22 VAL A 16 6.064 -2.425 8.849 1.00 0.59 H new ATOM 0 HG23 VAL A 16 7.841 -2.507 8.789 1.00 0.59 H new ATOM 252 N MET A 17 4.757 -1.304 5.606 1.00 0.29 N ATOM 253 CA MET A 17 3.526 -0.779 4.947 1.00 0.24 C ATOM 254 C MET A 17 2.283 -1.208 5.731 1.00 0.23 C ATOM 255 O MET A 17 2.296 -2.186 6.451 1.00 0.31 O ATOM 256 CB MET A 17 3.439 -1.333 3.523 1.00 0.30 C ATOM 257 CG MET A 17 4.808 -1.225 2.849 1.00 0.49 C ATOM 258 SD MET A 17 5.317 -2.857 2.253 1.00 0.63 S ATOM 259 CE MET A 17 6.149 -3.401 3.765 1.00 0.91 C ATOM 0 H MET A 17 4.791 -2.317 5.721 1.00 0.29 H new ATOM 0 HA MET A 17 3.574 0.310 4.921 1.00 0.24 H new ATOM 0 HB2 MET A 17 3.114 -2.373 3.545 1.00 0.30 H new ATOM 0 HB3 MET A 17 2.695 -0.779 2.951 1.00 0.30 H new ATOM 0 HG2 MET A 17 4.762 -0.521 2.018 1.00 0.49 H new ATOM 0 HG3 MET A 17 5.543 -0.838 3.555 1.00 0.49 H new ATOM 0 HE1 MET A 17 6.947 -4.099 3.510 1.00 0.91 H new ATOM 0 HE2 MET A 17 6.572 -2.538 4.278 1.00 0.91 H new ATOM 0 HE3 MET A 17 5.430 -3.895 4.418 1.00 0.91 H new ATOM 269 N VAL A 18 1.206 -0.482 5.587 1.00 0.22 N ATOM 270 CA VAL A 18 -0.045 -0.843 6.313 1.00 0.24 C ATOM 271 C VAL A 18 -1.200 -0.927 5.313 1.00 0.32 C ATOM 272 O VAL A 18 -1.227 -0.224 4.322 1.00 0.55 O ATOM 273 CB VAL A 18 -0.360 0.228 7.359 1.00 0.35 C ATOM 274 CG1 VAL A 18 -1.614 -0.172 8.141 1.00 0.48 C ATOM 275 CG2 VAL A 18 0.820 0.361 8.324 1.00 0.53 C ATOM 0 H VAL A 18 1.139 0.347 4.996 1.00 0.22 H new ATOM 0 HA VAL A 18 0.087 -1.805 6.808 1.00 0.24 H new ATOM 0 HB VAL A 18 -0.532 1.182 6.860 1.00 0.35 H new ATOM 0 HG11 VAL A 18 -1.837 0.592 8.886 1.00 0.48 H new ATOM 0 HG12 VAL A 18 -2.456 -0.267 7.455 1.00 0.48 H new ATOM 0 HG13 VAL A 18 -1.443 -1.126 8.640 1.00 0.48 H new ATOM 0 HG21 VAL A 18 0.596 1.124 9.070 1.00 0.53 H new ATOM 0 HG22 VAL A 18 0.992 -0.593 8.822 1.00 0.53 H new ATOM 0 HG23 VAL A 18 1.713 0.647 7.769 1.00 0.53 H new ATOM 285 N ASP A 19 -2.155 -1.779 5.563 1.00 0.42 N ATOM 286 CA ASP A 19 -3.306 -1.903 4.625 1.00 0.53 C ATOM 287 C ASP A 19 -4.408 -0.924 5.039 1.00 0.77 C ATOM 288 O ASP A 19 -5.413 -1.310 5.603 1.00 1.41 O ATOM 289 CB ASP A 19 -3.849 -3.333 4.671 1.00 0.66 C ATOM 290 CG ASP A 19 -4.603 -3.636 3.375 1.00 1.51 C ATOM 291 OD1 ASP A 19 -4.716 -2.739 2.555 1.00 1.73 O ATOM 292 OD2 ASP A 19 -5.055 -4.759 3.225 1.00 2.32 O ATOM 0 H ASP A 19 -2.188 -2.395 6.376 1.00 0.42 H new ATOM 0 HA ASP A 19 -2.977 -1.672 3.612 1.00 0.53 H new ATOM 0 HB2 ASP A 19 -3.030 -4.040 4.801 1.00 0.66 H new ATOM 0 HB3 ASP A 19 -4.513 -3.454 5.527 1.00 0.66 H new ATOM 297 N GLY A 20 -4.229 0.341 4.765 1.00 0.72 N ATOM 298 CA GLY A 20 -5.271 1.336 5.147 1.00 1.09 C ATOM 299 C GLY A 20 -4.730 2.756 4.957 1.00 0.88 C ATOM 300 O GLY A 20 -5.159 3.482 4.082 1.00 1.23 O ATOM 0 H GLY A 20 -3.410 0.726 4.295 1.00 0.72 H new ATOM 0 HA2 GLY A 20 -6.164 1.193 4.538 1.00 1.09 H new ATOM 0 HA3 GLY A 20 -5.566 1.186 6.185 1.00 1.09 H new ATOM 304 N CYS A 21 -3.798 3.162 5.775 1.00 0.81 N ATOM 305 CA CYS A 21 -3.239 4.539 5.646 1.00 0.67 C ATOM 306 C CYS A 21 -2.441 4.656 4.345 1.00 0.90 C ATOM 307 O CYS A 21 -2.149 3.673 3.693 1.00 1.52 O ATOM 308 CB CYS A 21 -2.324 4.833 6.835 1.00 0.82 C ATOM 309 SG CYS A 21 -2.256 6.622 7.106 1.00 1.67 S ATOM 0 H CYS A 21 -3.399 2.600 6.527 1.00 0.81 H new ATOM 0 HA CYS A 21 -4.058 5.258 5.630 1.00 0.67 H new ATOM 0 HB2 CYS A 21 -2.696 4.332 7.728 1.00 0.82 H new ATOM 0 HB3 CYS A 21 -1.324 4.444 6.645 1.00 0.82 H new ATOM 314 N HIS A 22 -2.087 5.854 3.963 1.00 0.74 N ATOM 315 CA HIS A 22 -1.310 6.037 2.704 1.00 1.14 C ATOM 316 C HIS A 22 0.137 6.400 3.040 1.00 1.14 C ATOM 317 O HIS A 22 0.996 6.430 2.181 1.00 1.93 O ATOM 318 CB HIS A 22 -1.938 7.157 1.873 1.00 1.61 C ATOM 319 CG HIS A 22 -3.291 6.720 1.381 1.00 1.83 C ATOM 320 ND1 HIS A 22 -4.137 7.573 0.691 1.00 2.21 N ATOM 321 CD2 HIS A 22 -3.957 5.522 1.471 1.00 2.82 C ATOM 322 CE1 HIS A 22 -5.255 6.883 0.395 1.00 2.81 C ATOM 323 NE2 HIS A 22 -5.197 5.628 0.848 1.00 3.26 N ATOM 0 H HIS A 22 -2.303 6.713 4.469 1.00 0.74 H new ATOM 0 HA HIS A 22 -1.326 5.109 2.133 1.00 1.14 H new ATOM 0 HB2 HIS A 22 -2.033 8.061 2.475 1.00 1.61 H new ATOM 0 HB3 HIS A 22 -1.294 7.402 1.028 1.00 1.61 H new ATOM 0 HD2 HIS A 22 -3.576 4.633 1.952 1.00 2.82 H new ATOM 0 HE1 HIS A 22 -6.096 7.294 -0.143 1.00 2.81 H new ATOM 0 HE2 HIS A 22 -5.909 4.903 0.757 1.00 3.26 H new ATOM 331 N GLY A 23 0.415 6.672 4.283 1.00 1.36 N ATOM 332 CA GLY A 23 1.808 7.029 4.675 1.00 1.57 C ATOM 333 C GLY A 23 1.919 8.539 4.896 1.00 1.29 C ATOM 334 O GLY A 23 1.482 9.061 5.902 1.00 1.82 O ATOM 0 H GLY A 23 -0.262 6.663 5.046 1.00 1.36 H new ATOM 0 HA2 GLY A 23 2.085 6.499 5.586 1.00 1.57 H new ATOM 0 HA3 GLY A 23 2.505 6.715 3.898 1.00 1.57 H new ATOM 338 N SER A 24 2.508 9.242 3.964 1.00 0.88 N ATOM 339 CA SER A 24 2.656 10.718 4.117 1.00 0.73 C ATOM 340 C SER A 24 1.365 11.309 4.686 1.00 0.73 C ATOM 341 O SER A 24 1.390 12.193 5.519 1.00 1.18 O ATOM 342 CB SER A 24 2.945 11.345 2.752 1.00 1.00 C ATOM 343 OG SER A 24 2.712 12.746 2.820 1.00 1.75 O ATOM 0 H SER A 24 2.893 8.856 3.102 1.00 0.88 H new ATOM 0 HA SER A 24 3.480 10.929 4.798 1.00 0.73 H new ATOM 0 HB2 SER A 24 3.977 11.150 2.461 1.00 1.00 H new ATOM 0 HB3 SER A 24 2.308 10.895 1.990 1.00 1.00 H new ATOM 0 HG SER A 24 2.898 13.151 1.947 1.00 1.75 H new ATOM 349 N ASP A 25 0.236 10.826 4.247 1.00 0.70 N ATOM 350 CA ASP A 25 -1.053 11.359 4.768 1.00 0.72 C ATOM 351 C ASP A 25 -1.211 10.953 6.234 1.00 0.69 C ATOM 352 O ASP A 25 -0.418 10.195 6.757 1.00 0.69 O ATOM 353 CB ASP A 25 -2.211 10.783 3.951 1.00 0.83 C ATOM 354 CG ASP A 25 -2.922 11.913 3.205 1.00 1.18 C ATOM 355 OD1 ASP A 25 -2.356 12.991 3.124 1.00 1.19 O ATOM 356 OD2 ASP A 25 -4.020 11.683 2.727 1.00 1.75 O ATOM 0 H ASP A 25 0.151 10.086 3.550 1.00 0.70 H new ATOM 0 HA ASP A 25 -1.059 12.446 4.687 1.00 0.72 H new ATOM 0 HB2 ASP A 25 -1.837 10.044 3.242 1.00 0.83 H new ATOM 0 HB3 ASP A 25 -2.913 10.269 4.608 1.00 0.83 H new ATOM 361 N PRO A 26 -2.235 11.475 6.850 1.00 0.76 N ATOM 362 CA PRO A 26 -2.542 11.194 8.262 1.00 0.78 C ATOM 363 C PRO A 26 -3.198 9.818 8.400 1.00 0.66 C ATOM 364 O PRO A 26 -3.839 9.332 7.490 1.00 0.71 O ATOM 365 CB PRO A 26 -3.519 12.310 8.644 1.00 0.94 C ATOM 366 CG PRO A 26 -4.146 12.812 7.321 1.00 1.03 C ATOM 367 CD PRO A 26 -3.185 12.393 6.192 1.00 0.92 C ATOM 0 HA PRO A 26 -1.659 11.173 8.900 1.00 0.78 H new ATOM 0 HB2 PRO A 26 -4.288 11.938 9.322 1.00 0.94 H new ATOM 0 HB3 PRO A 26 -3.002 13.119 9.161 1.00 0.94 H new ATOM 0 HG2 PRO A 26 -5.134 12.376 7.171 1.00 1.03 H new ATOM 0 HG3 PRO A 26 -4.274 13.894 7.339 1.00 1.03 H new ATOM 0 HD2 PRO A 26 -3.717 11.900 5.378 1.00 0.92 H new ATOM 0 HD3 PRO A 26 -2.674 13.255 5.763 1.00 0.92 H new ATOM 375 N CYS A 27 -3.042 9.187 9.531 1.00 0.63 N ATOM 376 CA CYS A 27 -3.658 7.844 9.723 1.00 0.62 C ATOM 377 C CYS A 27 -4.698 7.918 10.841 1.00 0.53 C ATOM 378 O CYS A 27 -4.431 8.409 11.917 1.00 0.54 O ATOM 379 CB CYS A 27 -2.574 6.833 10.108 1.00 0.82 C ATOM 380 SG CYS A 27 -1.268 6.830 8.855 1.00 1.23 S ATOM 0 H CYS A 27 -2.516 9.542 10.329 1.00 0.63 H new ATOM 0 HA CYS A 27 -4.137 7.529 8.796 1.00 0.62 H new ATOM 0 HB2 CYS A 27 -2.156 7.087 11.082 1.00 0.82 H new ATOM 0 HB3 CYS A 27 -3.008 5.837 10.197 1.00 0.82 H new ATOM 385 N ILE A 28 -5.880 7.427 10.601 1.00 0.50 N ATOM 386 CA ILE A 28 -6.926 7.463 11.658 1.00 0.46 C ATOM 387 C ILE A 28 -7.107 6.056 12.219 1.00 0.45 C ATOM 388 O ILE A 28 -7.733 5.212 11.610 1.00 0.55 O ATOM 389 CB ILE A 28 -8.250 7.945 11.063 1.00 0.47 C ATOM 390 CG1 ILE A 28 -8.095 9.384 10.566 1.00 0.52 C ATOM 391 CG2 ILE A 28 -9.338 7.891 12.137 1.00 0.42 C ATOM 392 CD1 ILE A 28 -7.600 10.270 11.710 1.00 0.56 C ATOM 0 H ILE A 28 -6.167 7.002 9.719 1.00 0.50 H new ATOM 0 HA ILE A 28 -6.622 8.147 12.450 1.00 0.46 H new ATOM 0 HB ILE A 28 -8.529 7.302 10.228 1.00 0.47 H new ATOM 0 HG12 ILE A 28 -7.391 9.419 9.735 1.00 0.52 H new ATOM 0 HG13 ILE A 28 -9.049 9.755 10.191 1.00 0.52 H new ATOM 0 HG21 ILE A 28 -10.283 8.234 11.715 1.00 0.42 H new ATOM 0 HG22 ILE A 28 -9.449 6.866 12.491 1.00 0.42 H new ATOM 0 HG23 ILE A 28 -9.058 8.534 12.971 1.00 0.42 H new ATOM 0 HD11 ILE A 28 -7.490 11.295 11.355 1.00 0.56 H new ATOM 0 HD12 ILE A 28 -8.320 10.245 12.528 1.00 0.56 H new ATOM 0 HD13 ILE A 28 -6.637 9.903 12.064 1.00 0.56 H new ATOM 404 N ILE A 29 -6.565 5.791 13.373 1.00 0.38 N ATOM 405 CA ILE A 29 -6.713 4.433 13.956 1.00 0.38 C ATOM 406 C ILE A 29 -7.991 4.383 14.791 1.00 0.41 C ATOM 407 O ILE A 29 -8.139 5.095 15.764 1.00 0.40 O ATOM 408 CB ILE A 29 -5.502 4.120 14.837 1.00 0.35 C ATOM 409 CG1 ILE A 29 -4.362 3.589 13.962 1.00 0.48 C ATOM 410 CG2 ILE A 29 -5.884 3.059 15.872 1.00 0.44 C ATOM 411 CD1 ILE A 29 -3.150 4.520 14.065 1.00 0.47 C ATOM 0 H ILE A 29 -6.029 6.453 13.934 1.00 0.38 H new ATOM 0 HA ILE A 29 -6.773 3.693 13.158 1.00 0.38 H new ATOM 0 HB ILE A 29 -5.179 5.027 15.348 1.00 0.35 H new ATOM 0 HG12 ILE A 29 -4.087 2.583 14.279 1.00 0.48 H new ATOM 0 HG13 ILE A 29 -4.690 3.518 12.925 1.00 0.48 H new ATOM 0 HG21 ILE A 29 -5.021 2.836 16.500 1.00 0.44 H new ATOM 0 HG22 ILE A 29 -6.698 3.433 16.493 1.00 0.44 H new ATOM 0 HG23 ILE A 29 -6.205 2.151 15.361 1.00 0.44 H new ATOM 0 HD11 ILE A 29 -2.343 4.137 13.441 1.00 0.47 H new ATOM 0 HD12 ILE A 29 -3.428 5.518 13.727 1.00 0.47 H new ATOM 0 HD13 ILE A 29 -2.815 4.568 15.101 1.00 0.47 H new ATOM 423 N HIS A 30 -8.916 3.543 14.418 1.00 0.46 N ATOM 424 CA HIS A 30 -10.186 3.444 15.186 1.00 0.50 C ATOM 425 C HIS A 30 -10.017 2.409 16.298 1.00 0.47 C ATOM 426 O HIS A 30 -10.051 1.220 16.059 1.00 0.69 O ATOM 427 CB HIS A 30 -11.317 3.011 14.251 1.00 0.61 C ATOM 428 CG HIS A 30 -11.318 3.884 13.027 1.00 0.65 C ATOM 429 ND1 HIS A 30 -10.383 4.086 12.042 1.00 0.87 N flip ATOM 430 CD2 HIS A 30 -12.393 4.695 12.699 1.00 1.04 C flip ATOM 431 CE1 HIS A 30 -10.867 5.006 11.117 1.00 0.89 C flip ATOM 432 NE2 HIS A 30 -12.081 5.341 11.560 1.00 1.02 N flip ATOM 0 H HIS A 30 -8.846 2.920 13.613 1.00 0.46 H new ATOM 0 HA HIS A 30 -10.430 4.414 15.620 1.00 0.50 H new ATOM 0 HB2 HIS A 30 -11.188 1.967 13.966 1.00 0.61 H new ATOM 0 HB3 HIS A 30 -12.276 3.085 14.764 1.00 0.61 H new ATOM 0 HD2 HIS A 30 -13.313 4.791 13.256 1.00 1.04 H new ATOM 0 HE1 HIS A 30 -10.368 5.371 10.231 1.00 0.89 H new ATOM 0 HE2 HIS A 30 -12.697 6.006 11.092 1.00 1.02 H new ATOM 440 N ARG A 31 -9.827 2.851 17.509 1.00 0.47 N ATOM 441 CA ARG A 31 -9.646 1.892 18.634 1.00 0.52 C ATOM 442 C ARG A 31 -10.655 0.748 18.516 1.00 0.46 C ATOM 443 O ARG A 31 -11.810 0.956 18.201 1.00 0.71 O ATOM 444 CB ARG A 31 -9.865 2.615 19.953 1.00 0.73 C ATOM 445 CG ARG A 31 -11.159 3.413 19.886 1.00 0.77 C ATOM 446 CD ARG A 31 -11.110 4.491 20.957 1.00 0.62 C ATOM 447 NE ARG A 31 -12.481 4.730 21.485 1.00 0.65 N ATOM 448 CZ ARG A 31 -12.643 5.211 22.686 1.00 0.88 C ATOM 449 NH1 ARG A 31 -12.394 6.470 22.924 1.00 1.36 N ATOM 450 NH2 ARG A 31 -13.055 4.434 23.650 1.00 1.35 N ATOM 0 H ARG A 31 -9.789 3.837 17.769 1.00 0.47 H new ATOM 0 HA ARG A 31 -8.635 1.486 18.595 1.00 0.52 H new ATOM 0 HB2 ARG A 31 -9.911 1.896 20.771 1.00 0.73 H new ATOM 0 HB3 ARG A 31 -9.026 3.279 20.159 1.00 0.73 H new ATOM 0 HG2 ARG A 31 -11.278 3.862 18.900 1.00 0.77 H new ATOM 0 HG3 ARG A 31 -12.017 2.759 20.044 1.00 0.77 H new ATOM 0 HD2 ARG A 31 -10.446 4.185 21.765 1.00 0.62 H new ATOM 0 HD3 ARG A 31 -10.703 5.413 20.542 1.00 0.62 H new ATOM 0 HE ARG A 31 -13.294 4.517 20.907 1.00 0.65 H new ATOM 0 HH11 ARG A 31 -12.073 7.078 22.170 1.00 1.36 H new ATOM 0 HH12 ARG A 31 -12.521 6.846 23.864 1.00 1.36 H new ATOM 0 HH21 ARG A 31 -13.250 3.450 23.464 1.00 1.35 H new ATOM 0 HH22 ARG A 31 -13.182 4.810 24.590 1.00 1.35 H new ATOM 464 N GLY A 32 -10.231 -0.459 18.778 1.00 0.42 N ATOM 465 CA GLY A 32 -11.170 -1.613 18.694 1.00 0.51 C ATOM 466 C GLY A 32 -11.019 -2.317 17.341 1.00 0.47 C ATOM 467 O GLY A 32 -11.489 -3.421 17.153 1.00 0.51 O ATOM 0 H GLY A 32 -9.276 -0.695 19.046 1.00 0.42 H new ATOM 0 HA2 GLY A 32 -10.969 -2.315 19.503 1.00 0.51 H new ATOM 0 HA3 GLY A 32 -12.196 -1.267 18.820 1.00 0.51 H new ATOM 471 N LYS A 33 -10.373 -1.689 16.395 1.00 0.42 N ATOM 472 CA LYS A 33 -10.204 -2.329 15.059 1.00 0.42 C ATOM 473 C LYS A 33 -8.781 -2.873 14.921 1.00 0.37 C ATOM 474 O LYS A 33 -7.856 -2.352 15.511 1.00 0.36 O ATOM 475 CB LYS A 33 -10.462 -1.296 13.962 1.00 0.49 C ATOM 476 CG LYS A 33 -9.128 -0.817 13.385 1.00 0.51 C ATOM 477 CD LYS A 33 -9.325 0.533 12.695 1.00 0.85 C ATOM 478 CE LYS A 33 -10.516 0.453 11.740 1.00 0.97 C ATOM 479 NZ LYS A 33 -10.051 0.687 10.344 1.00 1.72 N ATOM 0 H LYS A 33 -9.956 -0.763 16.490 1.00 0.42 H new ATOM 0 HA LYS A 33 -10.914 -3.150 14.962 1.00 0.42 H new ATOM 0 HB2 LYS A 33 -11.075 -1.733 13.174 1.00 0.49 H new ATOM 0 HB3 LYS A 33 -11.019 -0.451 14.367 1.00 0.49 H new ATOM 0 HG2 LYS A 33 -8.388 -0.726 14.180 1.00 0.51 H new ATOM 0 HG3 LYS A 33 -8.744 -1.548 12.674 1.00 0.51 H new ATOM 0 HD2 LYS A 33 -9.494 1.311 13.439 1.00 0.85 H new ATOM 0 HD3 LYS A 33 -8.424 0.807 12.146 1.00 0.85 H new ATOM 0 HE2 LYS A 33 -10.992 -0.524 11.817 1.00 0.97 H new ATOM 0 HE3 LYS A 33 -11.266 1.195 12.014 1.00 0.97 H new ATOM 0 HZ1 LYS A 33 -10.861 0.633 9.694 1.00 1.72 H new ATOM 0 HZ2 LYS A 33 -9.616 1.629 10.276 1.00 1.72 H new ATOM 0 HZ3 LYS A 33 -9.351 -0.037 10.085 1.00 1.72 H new ATOM 493 N PRO A 34 -8.657 -3.912 14.139 1.00 0.37 N ATOM 494 CA PRO A 34 -7.366 -4.573 13.886 1.00 0.35 C ATOM 495 C PRO A 34 -6.546 -3.804 12.843 1.00 0.34 C ATOM 496 O PRO A 34 -6.897 -3.743 11.681 1.00 0.46 O ATOM 497 CB PRO A 34 -7.770 -5.947 13.345 1.00 0.39 C ATOM 498 CG PRO A 34 -9.205 -5.790 12.785 1.00 0.44 C ATOM 499 CD PRO A 34 -9.800 -4.528 13.440 1.00 0.42 C ATOM 0 HA PRO A 34 -6.740 -4.628 14.776 1.00 0.35 H new ATOM 0 HB2 PRO A 34 -7.082 -6.275 12.566 1.00 0.39 H new ATOM 0 HB3 PRO A 34 -7.741 -6.699 14.133 1.00 0.39 H new ATOM 0 HG2 PRO A 34 -9.188 -5.692 11.700 1.00 0.44 H new ATOM 0 HG3 PRO A 34 -9.809 -6.667 13.016 1.00 0.44 H new ATOM 0 HD2 PRO A 34 -10.222 -3.854 12.695 1.00 0.42 H new ATOM 0 HD3 PRO A 34 -10.603 -4.779 14.133 1.00 0.42 H new ATOM 507 N PHE A 35 -5.441 -3.243 13.249 1.00 0.36 N ATOM 508 CA PHE A 35 -4.570 -2.502 12.291 1.00 0.36 C ATOM 509 C PHE A 35 -3.431 -3.438 11.890 1.00 0.32 C ATOM 510 O PHE A 35 -2.710 -3.928 12.731 1.00 0.42 O ATOM 511 CB PHE A 35 -3.992 -1.273 12.989 1.00 0.47 C ATOM 512 CG PHE A 35 -3.709 -0.180 11.987 1.00 0.45 C ATOM 513 CD1 PHE A 35 -4.746 0.638 11.524 1.00 0.58 C ATOM 514 CD2 PHE A 35 -2.402 0.023 11.532 1.00 0.43 C ATOM 515 CE1 PHE A 35 -4.474 1.660 10.606 1.00 0.63 C ATOM 516 CE2 PHE A 35 -2.129 1.041 10.614 1.00 0.46 C ATOM 517 CZ PHE A 35 -3.165 1.860 10.150 1.00 0.56 C ATOM 0 H PHE A 35 -5.101 -3.266 14.210 1.00 0.36 H new ATOM 0 HA PHE A 35 -5.135 -2.183 11.415 1.00 0.36 H new ATOM 0 HB2 PHE A 35 -4.693 -0.912 13.742 1.00 0.47 H new ATOM 0 HB3 PHE A 35 -3.074 -1.542 13.511 1.00 0.47 H new ATOM 0 HD1 PHE A 35 -5.755 0.481 11.874 1.00 0.58 H new ATOM 0 HD2 PHE A 35 -1.602 -0.608 11.891 1.00 0.43 H new ATOM 0 HE1 PHE A 35 -5.273 2.293 10.250 1.00 0.63 H new ATOM 0 HE2 PHE A 35 -1.119 1.196 10.263 1.00 0.46 H new ATOM 0 HZ PHE A 35 -2.955 2.646 9.440 1.00 0.56 H new ATOM 527 N THR A 36 -3.270 -3.716 10.628 1.00 0.27 N ATOM 528 CA THR A 36 -2.186 -4.658 10.220 1.00 0.34 C ATOM 529 C THR A 36 -0.990 -3.903 9.646 1.00 0.31 C ATOM 530 O THR A 36 -1.132 -2.970 8.881 1.00 0.32 O ATOM 531 CB THR A 36 -2.715 -5.627 9.162 1.00 0.44 C ATOM 532 OG1 THR A 36 -3.754 -6.418 9.723 1.00 0.61 O ATOM 533 CG2 THR A 36 -1.575 -6.534 8.690 1.00 0.55 C ATOM 0 H THR A 36 -3.834 -3.338 9.867 1.00 0.27 H new ATOM 0 HA THR A 36 -1.864 -5.206 11.106 1.00 0.34 H new ATOM 0 HB THR A 36 -3.107 -5.066 8.314 1.00 0.44 H new ATOM 0 HG1 THR A 36 -4.095 -7.038 9.045 1.00 0.61 H new ATOM 0 HG21 THR A 36 -1.949 -7.226 7.936 1.00 0.55 H new ATOM 0 HG22 THR A 36 -0.779 -5.925 8.261 1.00 0.55 H new ATOM 0 HG23 THR A 36 -1.184 -7.098 9.537 1.00 0.55 H new ATOM 541 N LEU A 37 0.194 -4.327 10.000 1.00 0.30 N ATOM 542 CA LEU A 37 1.416 -3.669 9.468 1.00 0.29 C ATOM 543 C LEU A 37 2.467 -4.742 9.153 1.00 0.27 C ATOM 544 O LEU A 37 2.790 -5.575 9.975 1.00 0.30 O ATOM 545 CB LEU A 37 1.995 -2.662 10.484 1.00 0.33 C ATOM 546 CG LEU A 37 1.355 -2.810 11.877 1.00 0.68 C ATOM 547 CD1 LEU A 37 -0.123 -2.423 11.826 1.00 2.02 C ATOM 548 CD2 LEU A 37 1.494 -4.249 12.379 1.00 1.21 C ATOM 0 H LEU A 37 0.365 -5.104 10.638 1.00 0.30 H new ATOM 0 HA LEU A 37 1.150 -3.123 8.563 1.00 0.29 H new ATOM 0 HB2 LEU A 37 3.072 -2.807 10.563 1.00 0.33 H new ATOM 0 HB3 LEU A 37 1.836 -1.647 10.119 1.00 0.33 H new ATOM 0 HG LEU A 37 1.875 -2.143 12.565 1.00 0.68 H new ATOM 0 HD11 LEU A 37 -0.562 -2.533 12.818 1.00 2.02 H new ATOM 0 HD12 LEU A 37 -0.217 -1.387 11.500 1.00 2.02 H new ATOM 0 HD13 LEU A 37 -0.645 -3.073 11.124 1.00 2.02 H new ATOM 0 HD21 LEU A 37 1.037 -4.336 13.365 1.00 1.21 H new ATOM 0 HD22 LEU A 37 0.995 -4.926 11.686 1.00 1.21 H new ATOM 0 HD23 LEU A 37 2.550 -4.511 12.445 1.00 1.21 H new ATOM 560 N GLU A 38 3.010 -4.727 7.968 1.00 0.30 N ATOM 561 CA GLU A 38 4.045 -5.738 7.610 1.00 0.28 C ATOM 562 C GLU A 38 5.408 -5.047 7.625 1.00 0.27 C ATOM 563 O GLU A 38 5.595 -4.028 6.990 1.00 0.28 O ATOM 564 CB GLU A 38 3.766 -6.287 6.208 1.00 0.32 C ATOM 565 CG GLU A 38 4.010 -7.798 6.190 1.00 0.63 C ATOM 566 CD GLU A 38 4.058 -8.292 4.743 1.00 0.80 C ATOM 567 OE1 GLU A 38 4.591 -7.577 3.910 1.00 1.34 O ATOM 568 OE2 GLU A 38 3.561 -9.378 4.492 1.00 0.95 O ATOM 0 H GLU A 38 2.782 -4.059 7.232 1.00 0.30 H new ATOM 0 HA GLU A 38 4.029 -6.563 8.322 1.00 0.28 H new ATOM 0 HB2 GLU A 38 2.737 -6.071 5.920 1.00 0.32 H new ATOM 0 HB3 GLU A 38 4.411 -5.796 5.479 1.00 0.32 H new ATOM 0 HG2 GLU A 38 4.947 -8.031 6.696 1.00 0.63 H new ATOM 0 HG3 GLU A 38 3.217 -8.311 6.734 1.00 0.63 H new ATOM 575 N ALA A 39 6.360 -5.564 8.351 1.00 0.28 N ATOM 576 CA ALA A 39 7.682 -4.890 8.393 1.00 0.29 C ATOM 577 C ALA A 39 8.791 -5.856 7.995 1.00 0.27 C ATOM 578 O ALA A 39 8.993 -6.880 8.616 1.00 0.26 O ATOM 579 CB ALA A 39 7.948 -4.386 9.810 1.00 0.32 C ATOM 0 H ALA A 39 6.280 -6.414 8.910 1.00 0.28 H new ATOM 0 HA ALA A 39 7.669 -4.056 7.691 1.00 0.29 H new ATOM 0 HB1 ALA A 39 8.918 -3.891 9.844 1.00 0.32 H new ATOM 0 HB2 ALA A 39 7.169 -3.679 10.097 1.00 0.32 H new ATOM 0 HB3 ALA A 39 7.946 -5.228 10.502 1.00 0.32 H new ATOM 585 N LEU A 40 9.542 -5.512 6.989 1.00 0.28 N ATOM 586 CA LEU A 40 10.671 -6.382 6.582 1.00 0.27 C ATOM 587 C LEU A 40 11.880 -5.920 7.377 1.00 0.23 C ATOM 588 O LEU A 40 12.028 -4.749 7.641 1.00 0.25 O ATOM 589 CB LEU A 40 10.956 -6.219 5.088 1.00 0.32 C ATOM 590 CG LEU A 40 9.671 -6.422 4.291 1.00 0.43 C ATOM 591 CD1 LEU A 40 9.770 -5.651 2.974 1.00 0.46 C ATOM 592 CD2 LEU A 40 9.489 -7.913 4.000 1.00 0.51 C ATOM 0 H LEU A 40 9.421 -4.666 6.433 1.00 0.28 H new ATOM 0 HA LEU A 40 10.439 -7.430 6.770 1.00 0.27 H new ATOM 0 HB2 LEU A 40 11.363 -5.227 4.892 1.00 0.32 H new ATOM 0 HB3 LEU A 40 11.709 -6.941 4.771 1.00 0.32 H new ATOM 0 HG LEU A 40 8.818 -6.057 4.863 1.00 0.43 H new ATOM 0 HD11 LEU A 40 8.854 -5.792 2.400 1.00 0.46 H new ATOM 0 HD12 LEU A 40 9.907 -4.590 3.183 1.00 0.46 H new ATOM 0 HD13 LEU A 40 10.619 -6.020 2.399 1.00 0.46 H new ATOM 0 HD21 LEU A 40 8.572 -8.063 3.431 1.00 0.51 H new ATOM 0 HD22 LEU A 40 10.339 -8.277 3.422 1.00 0.51 H new ATOM 0 HD23 LEU A 40 9.427 -8.462 4.940 1.00 0.51 H new ATOM 604 N PHE A 41 12.735 -6.803 7.785 1.00 0.22 N ATOM 605 CA PHE A 41 13.908 -6.348 8.574 1.00 0.19 C ATOM 606 C PHE A 41 15.004 -7.401 8.525 1.00 0.17 C ATOM 607 O PHE A 41 14.750 -8.583 8.633 1.00 0.17 O ATOM 608 CB PHE A 41 13.486 -6.105 10.023 1.00 0.19 C ATOM 609 CG PHE A 41 12.768 -7.316 10.547 1.00 0.17 C ATOM 610 CD1 PHE A 41 13.501 -8.377 11.081 1.00 0.18 C ATOM 611 CD2 PHE A 41 11.372 -7.375 10.504 1.00 0.18 C ATOM 612 CE1 PHE A 41 12.840 -9.504 11.576 1.00 0.18 C ATOM 613 CE2 PHE A 41 10.704 -8.501 10.997 1.00 0.17 C ATOM 614 CZ PHE A 41 11.438 -9.568 11.536 1.00 0.17 C ATOM 0 H PHE A 41 12.678 -7.807 7.612 1.00 0.22 H new ATOM 0 HA PHE A 41 14.290 -5.420 8.149 1.00 0.19 H new ATOM 0 HB2 PHE A 41 14.362 -5.894 10.637 1.00 0.19 H new ATOM 0 HB3 PHE A 41 12.837 -5.231 10.082 1.00 0.19 H new ATOM 0 HD1 PHE A 41 14.579 -8.327 11.112 1.00 0.18 H new ATOM 0 HD2 PHE A 41 10.809 -6.551 10.090 1.00 0.18 H new ATOM 0 HE1 PHE A 41 13.407 -10.325 11.989 1.00 0.18 H new ATOM 0 HE2 PHE A 41 9.626 -8.549 10.963 1.00 0.17 H new ATOM 0 HZ PHE A 41 10.925 -10.438 11.920 1.00 0.17 H new ATOM 624 N ASP A 42 16.224 -6.985 8.378 1.00 0.18 N ATOM 625 CA ASP A 42 17.331 -7.975 8.338 1.00 0.17 C ATOM 626 C ASP A 42 17.751 -8.295 9.765 1.00 0.16 C ATOM 627 O ASP A 42 18.268 -7.460 10.481 1.00 0.15 O ATOM 628 CB ASP A 42 18.520 -7.401 7.564 1.00 0.20 C ATOM 629 CG ASP A 42 18.144 -7.250 6.088 1.00 0.57 C ATOM 630 OD1 ASP A 42 17.257 -6.462 5.801 1.00 1.15 O ATOM 631 OD2 ASP A 42 18.749 -7.924 5.271 1.00 0.95 O ATOM 0 H ASP A 42 16.504 -6.009 8.284 1.00 0.18 H new ATOM 0 HA ASP A 42 16.995 -8.883 7.837 1.00 0.17 H new ATOM 0 HB2 ASP A 42 18.805 -6.434 7.978 1.00 0.20 H new ATOM 0 HB3 ASP A 42 19.384 -8.058 7.665 1.00 0.20 H new ATOM 636 N ALA A 43 17.526 -9.504 10.182 1.00 0.16 N ATOM 637 CA ALA A 43 17.897 -9.902 11.557 1.00 0.16 C ATOM 638 C ALA A 43 19.297 -9.375 11.868 1.00 0.16 C ATOM 639 O ALA A 43 20.274 -9.797 11.281 1.00 0.19 O ATOM 640 CB ALA A 43 17.893 -11.424 11.628 1.00 0.21 C ATOM 0 H ALA A 43 17.096 -10.240 9.621 1.00 0.16 H new ATOM 0 HA ALA A 43 17.192 -9.493 12.280 1.00 0.16 H new ATOM 0 HB1 ALA A 43 18.164 -11.742 12.635 1.00 0.21 H new ATOM 0 HB2 ALA A 43 16.898 -11.797 11.385 1.00 0.21 H new ATOM 0 HB3 ALA A 43 18.614 -11.823 10.915 1.00 0.21 H new ATOM 646 N ASN A 44 19.404 -8.452 12.782 1.00 0.17 N ATOM 647 CA ASN A 44 20.743 -7.897 13.121 1.00 0.20 C ATOM 648 C ASN A 44 21.456 -8.838 14.091 1.00 0.23 C ATOM 649 O ASN A 44 22.509 -8.526 14.610 1.00 0.26 O ATOM 650 CB ASN A 44 20.577 -6.523 13.772 1.00 0.25 C ATOM 651 CG ASN A 44 20.252 -6.698 15.257 1.00 0.49 C ATOM 652 OD1 ASN A 44 19.064 -6.382 15.694 1.00 1.12 O flip ATOM 653 ND2 ASN A 44 21.088 -7.127 16.028 1.00 0.54 N flip ATOM 0 H ASN A 44 18.624 -8.059 13.308 1.00 0.17 H new ATOM 0 HA ASN A 44 21.335 -7.798 12.211 1.00 0.20 H new ATOM 0 HB2 ASN A 44 21.491 -5.941 13.655 1.00 0.25 H new ATOM 0 HB3 ASN A 44 19.780 -5.968 13.277 1.00 0.25 H new ATOM 0 HD21 ASN A 44 22.017 -7.374 15.687 1.00 0.54 H new ATOM 0 HD22 ASN A 44 20.861 -7.240 17.016 1.00 0.54 H new ATOM 660 N GLN A 45 20.897 -9.991 14.336 1.00 0.26 N ATOM 661 CA GLN A 45 21.553 -10.948 15.267 1.00 0.34 C ATOM 662 C GLN A 45 20.841 -12.300 15.208 1.00 0.33 C ATOM 663 O GLN A 45 19.732 -12.410 14.723 1.00 0.44 O ATOM 664 CB GLN A 45 21.487 -10.406 16.687 1.00 0.40 C ATOM 665 CG GLN A 45 20.074 -10.590 17.232 1.00 0.51 C ATOM 666 CD GLN A 45 19.643 -9.326 17.977 1.00 0.49 C ATOM 667 OE1 GLN A 45 20.336 -8.328 17.957 1.00 0.75 O ATOM 668 NE2 GLN A 45 18.518 -9.325 18.639 1.00 0.67 N ATOM 0 H GLN A 45 20.016 -10.310 13.932 1.00 0.26 H new ATOM 0 HA GLN A 45 22.595 -11.075 14.972 1.00 0.34 H new ATOM 0 HB2 GLN A 45 22.204 -10.927 17.321 1.00 0.40 H new ATOM 0 HB3 GLN A 45 21.759 -9.351 16.699 1.00 0.40 H new ATOM 0 HG2 GLN A 45 19.382 -10.797 16.415 1.00 0.51 H new ATOM 0 HG3 GLN A 45 20.041 -11.449 17.903 1.00 0.51 H new ATOM 0 HE21 GLN A 45 17.936 -10.162 18.656 1.00 0.67 H new ATOM 0 HE22 GLN A 45 18.221 -8.487 19.139 1.00 0.67 H new ATOM 677 N ASN A 46 21.468 -13.330 15.705 1.00 0.28 N ATOM 678 CA ASN A 46 20.828 -14.676 15.687 1.00 0.30 C ATOM 679 C ASN A 46 20.069 -14.893 16.998 1.00 0.30 C ATOM 680 O ASN A 46 20.636 -14.831 18.071 1.00 0.40 O ATOM 681 CB ASN A 46 21.906 -15.752 15.536 1.00 0.39 C ATOM 682 CG ASN A 46 22.756 -15.806 16.807 1.00 0.68 C ATOM 683 OD1 ASN A 46 22.459 -16.552 17.719 1.00 1.30 O ATOM 684 ND2 ASN A 46 23.808 -15.040 16.906 1.00 1.75 N ATOM 0 H ASN A 46 22.398 -13.298 16.124 1.00 0.28 H new ATOM 0 HA ASN A 46 20.134 -14.739 14.849 1.00 0.30 H new ATOM 0 HB2 ASN A 46 21.443 -16.722 15.354 1.00 0.39 H new ATOM 0 HB3 ASN A 46 22.536 -15.532 14.674 1.00 0.39 H new ATOM 0 HD21 ASN A 46 24.381 -15.067 17.749 1.00 1.75 H new ATOM 0 HD22 ASN A 46 24.057 -14.414 16.140 1.00 1.75 H new ATOM 691 N THR A 47 18.789 -15.142 16.923 1.00 0.27 N ATOM 692 CA THR A 47 18.001 -15.355 18.168 1.00 0.26 C ATOM 693 C THR A 47 16.963 -16.458 17.942 1.00 0.27 C ATOM 694 O THR A 47 16.561 -16.729 16.828 1.00 0.35 O ATOM 695 CB THR A 47 17.294 -14.051 18.541 1.00 0.25 C ATOM 696 OG1 THR A 47 16.384 -14.295 19.600 1.00 0.37 O ATOM 697 CG2 THR A 47 16.533 -13.514 17.327 1.00 0.24 C ATOM 0 H THR A 47 18.257 -15.207 16.055 1.00 0.27 H new ATOM 0 HA THR A 47 18.668 -15.656 18.976 1.00 0.26 H new ATOM 0 HB THR A 47 18.033 -13.315 18.858 1.00 0.25 H new ATOM 0 HG1 THR A 47 15.509 -13.916 19.373 1.00 0.37 H new ATOM 0 HG21 THR A 47 16.030 -12.585 17.595 1.00 0.24 H new ATOM 0 HG22 THR A 47 17.233 -13.326 16.513 1.00 0.24 H new ATOM 0 HG23 THR A 47 15.793 -14.248 17.007 1.00 0.24 H new ATOM 705 N LYS A 48 16.527 -17.095 18.995 1.00 0.28 N ATOM 706 CA LYS A 48 15.516 -18.182 18.852 1.00 0.31 C ATOM 707 C LYS A 48 14.126 -17.616 19.088 1.00 0.34 C ATOM 708 O LYS A 48 13.128 -18.236 18.777 1.00 0.40 O ATOM 709 CB LYS A 48 15.796 -19.270 19.886 1.00 0.35 C ATOM 710 CG LYS A 48 16.952 -20.136 19.398 1.00 0.37 C ATOM 711 CD LYS A 48 16.420 -21.209 18.445 1.00 0.91 C ATOM 712 CE LYS A 48 15.303 -21.997 19.135 1.00 1.42 C ATOM 713 NZ LYS A 48 15.584 -23.457 19.027 1.00 1.91 N ATOM 0 H LYS A 48 16.829 -16.909 19.951 1.00 0.28 H new ATOM 0 HA LYS A 48 15.574 -18.602 17.848 1.00 0.31 H new ATOM 0 HB2 LYS A 48 16.043 -18.820 20.848 1.00 0.35 H new ATOM 0 HB3 LYS A 48 14.907 -19.881 20.039 1.00 0.35 H new ATOM 0 HG2 LYS A 48 17.693 -19.519 18.890 1.00 0.37 H new ATOM 0 HG3 LYS A 48 17.453 -20.604 20.246 1.00 0.37 H new ATOM 0 HD2 LYS A 48 16.043 -20.746 17.533 1.00 0.91 H new ATOM 0 HD3 LYS A 48 17.226 -21.881 18.151 1.00 0.91 H new ATOM 0 HE2 LYS A 48 15.232 -21.706 20.183 1.00 1.42 H new ATOM 0 HE3 LYS A 48 14.342 -21.766 18.675 1.00 1.42 H new ATOM 0 HZ1 LYS A 48 14.825 -23.992 19.496 1.00 1.91 H new ATOM 0 HZ2 LYS A 48 15.630 -23.728 18.024 1.00 1.91 H new ATOM 0 HZ3 LYS A 48 16.493 -23.671 19.486 1.00 1.91 H new ATOM 727 N THR A 49 14.049 -16.443 19.637 1.00 0.38 N ATOM 728 CA THR A 49 12.721 -15.840 19.891 1.00 0.45 C ATOM 729 C THR A 49 12.768 -14.349 19.605 1.00 0.35 C ATOM 730 O THR A 49 13.700 -13.656 19.959 1.00 0.34 O ATOM 731 CB THR A 49 12.316 -16.069 21.341 1.00 0.59 C ATOM 732 OG1 THR A 49 13.435 -15.850 22.189 1.00 0.59 O ATOM 733 CG2 THR A 49 11.823 -17.503 21.494 1.00 0.74 C ATOM 0 H THR A 49 14.848 -15.876 19.921 1.00 0.38 H new ATOM 0 HA THR A 49 11.988 -16.309 19.235 1.00 0.45 H new ATOM 0 HB THR A 49 11.521 -15.376 21.619 1.00 0.59 H new ATOM 0 HG1 THR A 49 13.172 -15.996 23.122 1.00 0.59 H new ATOM 0 HG21 THR A 49 11.530 -17.679 22.529 1.00 0.74 H new ATOM 0 HG22 THR A 49 10.965 -17.664 20.842 1.00 0.74 H new ATOM 0 HG23 THR A 49 12.621 -18.193 21.221 1.00 0.74 H new ATOM 741 N ALA A 50 11.755 -13.855 18.975 1.00 0.39 N ATOM 742 CA ALA A 50 11.704 -12.414 18.655 1.00 0.32 C ATOM 743 C ALA A 50 10.363 -11.865 19.116 1.00 0.33 C ATOM 744 O ALA A 50 9.391 -12.585 19.194 1.00 0.41 O ATOM 745 CB ALA A 50 11.851 -12.222 17.150 1.00 0.33 C ATOM 0 H ALA A 50 10.948 -14.395 18.663 1.00 0.39 H new ATOM 0 HA ALA A 50 12.514 -11.887 19.159 1.00 0.32 H new ATOM 0 HB1 ALA A 50 11.813 -11.159 16.913 1.00 0.33 H new ATOM 0 HB2 ALA A 50 12.806 -12.633 16.822 1.00 0.33 H new ATOM 0 HB3 ALA A 50 11.039 -12.737 16.636 1.00 0.33 H new ATOM 751 N LYS A 51 10.293 -10.608 19.436 1.00 0.29 N ATOM 752 CA LYS A 51 8.998 -10.055 19.907 1.00 0.30 C ATOM 753 C LYS A 51 8.698 -8.732 19.212 1.00 0.26 C ATOM 754 O LYS A 51 9.561 -7.902 19.035 1.00 0.27 O ATOM 755 CB LYS A 51 9.074 -9.802 21.409 1.00 0.35 C ATOM 756 CG LYS A 51 8.551 -11.019 22.168 1.00 0.75 C ATOM 757 CD LYS A 51 7.749 -10.549 23.382 1.00 0.54 C ATOM 758 CE LYS A 51 8.363 -9.255 23.937 1.00 0.36 C ATOM 759 NZ LYS A 51 8.091 -9.164 25.399 1.00 0.46 N ATOM 0 H LYS A 51 11.067 -9.945 19.393 1.00 0.29 H new ATOM 0 HA LYS A 51 8.211 -10.773 19.677 1.00 0.30 H new ATOM 0 HB2 LYS A 51 10.104 -9.596 21.700 1.00 0.35 H new ATOM 0 HB3 LYS A 51 8.487 -8.921 21.668 1.00 0.35 H new ATOM 0 HG2 LYS A 51 7.924 -11.627 21.516 1.00 0.75 H new ATOM 0 HG3 LYS A 51 9.382 -11.648 22.488 1.00 0.75 H new ATOM 0 HD2 LYS A 51 6.710 -10.378 23.100 1.00 0.54 H new ATOM 0 HD3 LYS A 51 7.748 -11.322 24.151 1.00 0.54 H new ATOM 0 HE2 LYS A 51 9.438 -9.242 23.755 1.00 0.36 H new ATOM 0 HE3 LYS A 51 7.942 -8.391 23.423 1.00 0.36 H new ATOM 0 HZ1 LYS A 51 8.506 -8.288 25.776 1.00 0.46 H new ATOM 0 HZ2 LYS A 51 7.064 -9.158 25.561 1.00 0.46 H new ATOM 0 HZ3 LYS A 51 8.513 -9.983 25.882 1.00 0.46 H new ATOM 773 N ILE A 52 7.470 -8.508 18.854 1.00 0.26 N ATOM 774 CA ILE A 52 7.126 -7.217 18.212 1.00 0.25 C ATOM 775 C ILE A 52 6.638 -6.273 19.306 1.00 0.35 C ATOM 776 O ILE A 52 6.079 -6.696 20.298 1.00 0.48 O ATOM 777 CB ILE A 52 6.024 -7.423 17.175 1.00 0.27 C ATOM 778 CG1 ILE A 52 5.525 -6.063 16.684 1.00 0.35 C ATOM 779 CG2 ILE A 52 4.872 -8.185 17.817 1.00 0.32 C ATOM 780 CD1 ILE A 52 5.016 -6.192 15.248 1.00 0.54 C ATOM 0 H ILE A 52 6.694 -9.159 18.977 1.00 0.26 H new ATOM 0 HA ILE A 52 7.997 -6.801 17.705 1.00 0.25 H new ATOM 0 HB ILE A 52 6.415 -7.990 16.330 1.00 0.27 H new ATOM 0 HG12 ILE A 52 4.727 -5.701 17.332 1.00 0.35 H new ATOM 0 HG13 ILE A 52 6.330 -5.330 16.731 1.00 0.35 H new ATOM 0 HG21 ILE A 52 4.081 -8.336 17.082 1.00 0.32 H new ATOM 0 HG22 ILE A 52 5.228 -9.153 18.171 1.00 0.32 H new ATOM 0 HG23 ILE A 52 4.481 -7.613 18.658 1.00 0.32 H new ATOM 0 HD11 ILE A 52 4.661 -5.222 14.899 1.00 0.54 H new ATOM 0 HD12 ILE A 52 5.826 -6.535 14.604 1.00 0.54 H new ATOM 0 HD13 ILE A 52 4.198 -6.911 15.215 1.00 0.54 H new ATOM 792 N GLU A 53 6.860 -5.006 19.149 1.00 0.37 N ATOM 793 CA GLU A 53 6.425 -4.047 20.200 1.00 0.46 C ATOM 794 C GLU A 53 5.795 -2.819 19.549 1.00 0.36 C ATOM 795 O GLU A 53 6.448 -2.059 18.867 1.00 0.45 O ATOM 796 CB GLU A 53 7.645 -3.617 21.019 1.00 0.68 C ATOM 797 CG GLU A 53 7.460 -4.032 22.481 1.00 0.42 C ATOM 798 CD GLU A 53 8.625 -3.491 23.313 1.00 0.95 C ATOM 799 OE1 GLU A 53 8.669 -2.290 23.524 1.00 1.48 O ATOM 800 OE2 GLU A 53 9.452 -4.286 23.725 1.00 1.31 O ATOM 0 H GLU A 53 7.323 -4.589 18.341 1.00 0.37 H new ATOM 0 HA GLU A 53 5.691 -4.525 20.849 1.00 0.46 H new ATOM 0 HB2 GLU A 53 8.547 -4.075 20.613 1.00 0.68 H new ATOM 0 HB3 GLU A 53 7.777 -2.537 20.952 1.00 0.68 H new ATOM 0 HG2 GLU A 53 6.515 -3.646 22.864 1.00 0.42 H new ATOM 0 HG3 GLU A 53 7.416 -5.118 22.560 1.00 0.42 H new ATOM 807 N ILE A 54 4.532 -2.604 19.768 1.00 0.27 N ATOM 808 CA ILE A 54 3.879 -1.414 19.167 1.00 0.23 C ATOM 809 C ILE A 54 3.457 -0.461 20.286 1.00 0.27 C ATOM 810 O ILE A 54 2.652 -0.800 21.130 1.00 0.32 O ATOM 811 CB ILE A 54 2.645 -1.845 18.379 1.00 0.23 C ATOM 812 CG1 ILE A 54 2.978 -3.079 17.535 1.00 0.25 C ATOM 813 CG2 ILE A 54 2.206 -0.698 17.472 1.00 0.32 C ATOM 814 CD1 ILE A 54 2.965 -4.314 18.432 1.00 0.36 C ATOM 0 H ILE A 54 3.926 -3.198 20.334 1.00 0.27 H new ATOM 0 HA ILE A 54 4.577 -0.915 18.495 1.00 0.23 H new ATOM 0 HB ILE A 54 1.837 -2.094 19.067 1.00 0.23 H new ATOM 0 HG12 ILE A 54 2.252 -3.191 16.730 1.00 0.25 H new ATOM 0 HG13 ILE A 54 3.956 -2.963 17.068 1.00 0.25 H new ATOM 0 HG21 ILE A 54 1.325 -0.999 16.906 1.00 0.32 H new ATOM 0 HG22 ILE A 54 1.967 0.175 18.079 1.00 0.32 H new ATOM 0 HG23 ILE A 54 3.013 -0.450 16.783 1.00 0.32 H new ATOM 0 HD11 ILE A 54 3.201 -5.197 17.839 1.00 0.36 H new ATOM 0 HD12 ILE A 54 3.708 -4.198 19.222 1.00 0.36 H new ATOM 0 HD13 ILE A 54 1.977 -4.430 18.877 1.00 0.36 H new ATOM 826 N LYS A 55 3.996 0.724 20.306 1.00 0.29 N ATOM 827 CA LYS A 55 3.625 1.689 21.377 1.00 0.34 C ATOM 828 C LYS A 55 3.012 2.935 20.746 1.00 0.34 C ATOM 829 O LYS A 55 3.542 3.499 19.812 1.00 0.51 O ATOM 830 CB LYS A 55 4.873 2.063 22.169 1.00 0.36 C ATOM 831 CG LYS A 55 5.247 0.891 23.070 1.00 0.42 C ATOM 832 CD LYS A 55 6.285 1.342 24.099 1.00 0.51 C ATOM 833 CE LYS A 55 7.499 0.413 24.038 1.00 0.85 C ATOM 834 NZ LYS A 55 8.495 0.828 25.065 1.00 1.25 N ATOM 0 H LYS A 55 4.677 1.067 19.628 1.00 0.29 H new ATOM 0 HA LYS A 55 2.896 1.236 22.049 1.00 0.34 H new ATOM 0 HB2 LYS A 55 5.695 2.297 21.492 1.00 0.36 H new ATOM 0 HB3 LYS A 55 4.688 2.956 22.767 1.00 0.36 H new ATOM 0 HG2 LYS A 55 4.360 0.512 23.577 1.00 0.42 H new ATOM 0 HG3 LYS A 55 5.646 0.072 22.471 1.00 0.42 H new ATOM 0 HD2 LYS A 55 6.589 2.369 23.899 1.00 0.51 H new ATOM 0 HD3 LYS A 55 5.852 1.327 25.099 1.00 0.51 H new ATOM 0 HE2 LYS A 55 7.190 -0.618 24.211 1.00 0.85 H new ATOM 0 HE3 LYS A 55 7.948 0.449 23.045 1.00 0.85 H new ATOM 0 HZ1 LYS A 55 9.320 0.196 25.023 1.00 1.25 H new ATOM 0 HZ2 LYS A 55 8.798 1.806 24.880 1.00 1.25 H new ATOM 0 HZ3 LYS A 55 8.064 0.772 26.010 1.00 1.25 H new ATOM 848 N ALA A 56 1.891 3.364 21.242 1.00 0.44 N ATOM 849 CA ALA A 56 1.238 4.568 20.654 1.00 0.42 C ATOM 850 C ALA A 56 1.371 5.762 21.599 1.00 0.41 C ATOM 851 O ALA A 56 1.122 5.663 22.783 1.00 0.53 O ATOM 852 CB ALA A 56 -0.242 4.274 20.409 1.00 0.43 C ATOM 0 H ALA A 56 1.397 2.938 22.026 1.00 0.44 H new ATOM 0 HA ALA A 56 1.728 4.810 19.711 1.00 0.42 H new ATOM 0 HB1 ALA A 56 -0.721 5.153 19.979 1.00 0.43 H new ATOM 0 HB2 ALA A 56 -0.337 3.435 19.719 1.00 0.43 H new ATOM 0 HB3 ALA A 56 -0.724 4.023 21.354 1.00 0.43 H new ATOM 858 N SER A 57 1.752 6.896 21.075 1.00 0.36 N ATOM 859 CA SER A 57 1.897 8.111 21.926 1.00 0.39 C ATOM 860 C SER A 57 0.640 8.973 21.786 1.00 0.39 C ATOM 861 O SER A 57 -0.022 8.956 20.768 1.00 0.50 O ATOM 862 CB SER A 57 3.119 8.911 21.472 1.00 0.53 C ATOM 863 OG SER A 57 2.706 10.210 21.071 1.00 1.64 O ATOM 0 H SER A 57 1.970 7.033 20.088 1.00 0.36 H new ATOM 0 HA SER A 57 2.027 7.817 22.967 1.00 0.39 H new ATOM 0 HB2 SER A 57 3.844 8.981 22.283 1.00 0.53 H new ATOM 0 HB3 SER A 57 3.614 8.403 20.645 1.00 0.53 H new ATOM 0 HG SER A 57 3.487 10.726 20.781 1.00 1.64 H new ATOM 869 N LEU A 58 0.300 9.722 22.798 1.00 0.42 N ATOM 870 CA LEU A 58 -0.920 10.575 22.714 1.00 0.48 C ATOM 871 C LEU A 58 -0.519 12.047 22.621 1.00 0.48 C ATOM 872 O LEU A 58 -1.027 12.885 23.339 1.00 0.69 O ATOM 873 CB LEU A 58 -1.771 10.369 23.963 1.00 0.64 C ATOM 874 CG LEU A 58 -2.048 8.877 24.154 1.00 0.68 C ATOM 875 CD1 LEU A 58 -3.044 8.687 25.299 1.00 0.90 C ATOM 876 CD2 LEU A 58 -2.636 8.299 22.865 1.00 0.67 C ATOM 0 H LEU A 58 0.812 9.781 23.678 1.00 0.42 H new ATOM 0 HA LEU A 58 -1.489 10.296 21.827 1.00 0.48 H new ATOM 0 HB2 LEU A 58 -1.256 10.768 24.837 1.00 0.64 H new ATOM 0 HB3 LEU A 58 -2.710 10.915 23.870 1.00 0.64 H new ATOM 0 HG LEU A 58 -1.118 8.361 24.392 1.00 0.68 H new ATOM 0 HD11 LEU A 58 -3.242 7.624 25.436 1.00 0.90 H new ATOM 0 HD12 LEU A 58 -2.626 9.100 26.217 1.00 0.90 H new ATOM 0 HD13 LEU A 58 -3.975 9.202 25.061 1.00 0.90 H new ATOM 0 HD21 LEU A 58 -2.834 7.236 23.000 1.00 0.67 H new ATOM 0 HD22 LEU A 58 -3.567 8.814 22.627 1.00 0.67 H new ATOM 0 HD23 LEU A 58 -1.927 8.435 22.049 1.00 0.67 H new ATOM 888 N ASP A 59 0.385 12.369 21.742 1.00 0.63 N ATOM 889 CA ASP A 59 0.815 13.789 21.603 1.00 0.74 C ATOM 890 C ASP A 59 1.029 14.391 22.993 1.00 0.78 C ATOM 891 O ASP A 59 0.909 15.584 23.191 1.00 0.96 O ATOM 892 CB ASP A 59 -0.270 14.578 20.865 1.00 0.83 C ATOM 893 CG ASP A 59 0.353 15.805 20.198 1.00 1.16 C ATOM 894 OD1 ASP A 59 1.542 16.014 20.377 1.00 1.46 O ATOM 895 OD2 ASP A 59 -0.369 16.515 19.517 1.00 1.45 O ATOM 0 H ASP A 59 0.846 11.712 21.113 1.00 0.63 H new ATOM 0 HA ASP A 59 1.746 13.837 21.038 1.00 0.74 H new ATOM 0 HB2 ASP A 59 -0.747 13.947 20.115 1.00 0.83 H new ATOM 0 HB3 ASP A 59 -1.048 14.887 21.563 1.00 0.83 H new ATOM 900 N GLY A 60 1.344 13.572 23.960 1.00 0.75 N ATOM 901 CA GLY A 60 1.563 14.090 25.339 1.00 0.82 C ATOM 902 C GLY A 60 1.717 12.913 26.303 1.00 0.83 C ATOM 903 O GLY A 60 2.696 12.803 27.014 1.00 0.95 O ATOM 0 H GLY A 60 1.459 12.564 23.853 1.00 0.75 H new ATOM 0 HA2 GLY A 60 2.454 14.717 25.367 1.00 0.82 H new ATOM 0 HA3 GLY A 60 0.724 14.716 25.642 1.00 0.82 H new ATOM 907 N LEU A 61 0.758 12.027 26.328 1.00 0.78 N ATOM 908 CA LEU A 61 0.851 10.854 27.241 1.00 0.84 C ATOM 909 C LEU A 61 1.247 9.618 26.431 1.00 0.71 C ATOM 910 O LEU A 61 0.503 9.150 25.593 1.00 0.68 O ATOM 911 CB LEU A 61 -0.509 10.618 27.905 1.00 0.96 C ATOM 912 CG LEU A 61 -0.713 9.122 28.146 1.00 1.51 C ATOM 913 CD1 LEU A 61 0.426 8.583 29.012 1.00 2.07 C ATOM 914 CD2 LEU A 61 -2.047 8.900 28.864 1.00 1.72 C ATOM 0 H LEU A 61 -0.085 12.066 25.755 1.00 0.78 H new ATOM 0 HA LEU A 61 1.601 11.043 28.009 1.00 0.84 H new ATOM 0 HB2 LEU A 61 -0.562 11.159 28.850 1.00 0.96 H new ATOM 0 HB3 LEU A 61 -1.306 11.006 27.271 1.00 0.96 H new ATOM 0 HG LEU A 61 -0.721 8.598 27.190 1.00 1.51 H new ATOM 0 HD11 LEU A 61 0.280 7.517 29.183 1.00 2.07 H new ATOM 0 HD12 LEU A 61 1.377 8.742 28.503 1.00 2.07 H new ATOM 0 HD13 LEU A 61 0.435 9.106 29.968 1.00 2.07 H new ATOM 0 HD21 LEU A 61 -2.194 7.834 29.037 1.00 1.72 H new ATOM 0 HD22 LEU A 61 -2.038 9.424 29.819 1.00 1.72 H new ATOM 0 HD23 LEU A 61 -2.860 9.283 28.248 1.00 1.72 H new ATOM 926 N GLU A 62 2.413 9.084 26.673 1.00 0.70 N ATOM 927 CA GLU A 62 2.848 7.880 25.911 1.00 0.62 C ATOM 928 C GLU A 62 2.225 6.632 26.535 1.00 0.52 C ATOM 929 O GLU A 62 2.230 6.456 27.737 1.00 0.59 O ATOM 930 CB GLU A 62 4.372 7.767 25.956 1.00 0.75 C ATOM 931 CG GLU A 62 4.806 6.435 25.343 1.00 1.47 C ATOM 932 CD GLU A 62 6.332 6.392 25.245 1.00 1.99 C ATOM 933 OE1 GLU A 62 6.977 6.617 26.256 1.00 2.26 O ATOM 934 OE2 GLU A 62 6.830 6.137 24.161 1.00 2.45 O ATOM 0 H GLU A 62 3.081 9.428 27.363 1.00 0.70 H new ATOM 0 HA GLU A 62 2.524 7.970 24.874 1.00 0.62 H new ATOM 0 HB2 GLU A 62 4.824 8.595 25.410 1.00 0.75 H new ATOM 0 HB3 GLU A 62 4.722 7.836 26.986 1.00 0.75 H new ATOM 0 HG2 GLU A 62 4.447 5.607 25.954 1.00 1.47 H new ATOM 0 HG3 GLU A 62 4.364 6.316 24.354 1.00 1.47 H new ATOM 941 N ILE A 63 1.679 5.770 25.725 1.00 0.51 N ATOM 942 CA ILE A 63 1.047 4.544 26.253 1.00 0.51 C ATOM 943 C ILE A 63 1.639 3.329 25.545 1.00 0.48 C ATOM 944 O ILE A 63 2.318 3.435 24.543 1.00 0.45 O ATOM 945 CB ILE A 63 -0.449 4.612 25.959 1.00 0.63 C ATOM 946 CG1 ILE A 63 -1.135 5.562 26.942 1.00 1.07 C ATOM 947 CG2 ILE A 63 -1.079 3.233 26.052 1.00 0.55 C ATOM 948 CD1 ILE A 63 -2.569 5.827 26.478 1.00 1.59 C ATOM 0 H ILE A 63 1.646 5.869 24.710 1.00 0.51 H new ATOM 0 HA ILE A 63 1.221 4.461 27.326 1.00 0.51 H new ATOM 0 HB ILE A 63 -0.581 4.987 24.944 1.00 0.63 H new ATOM 0 HG12 ILE A 63 -1.139 5.127 27.942 1.00 1.07 H new ATOM 0 HG13 ILE A 63 -0.582 6.499 27.004 1.00 1.07 H new ATOM 0 HG21 ILE A 63 -2.146 3.305 25.839 1.00 0.55 H new ATOM 0 HG22 ILE A 63 -0.608 2.568 25.328 1.00 0.55 H new ATOM 0 HG23 ILE A 63 -0.936 2.835 27.056 1.00 0.55 H new ATOM 0 HD11 ILE A 63 -3.059 6.504 27.178 1.00 1.59 H new ATOM 0 HD12 ILE A 63 -2.553 6.280 25.487 1.00 1.59 H new ATOM 0 HD13 ILE A 63 -3.118 4.886 26.438 1.00 1.59 H new ATOM 960 N ASP A 64 1.351 2.181 26.056 1.00 0.52 N ATOM 961 CA ASP A 64 1.839 0.918 25.438 1.00 0.52 C ATOM 962 C ASP A 64 0.630 0.180 24.873 1.00 0.50 C ATOM 963 O ASP A 64 -0.439 0.198 25.450 1.00 0.78 O ATOM 964 CB ASP A 64 2.529 0.054 26.495 1.00 0.57 C ATOM 965 CG ASP A 64 3.679 0.840 27.127 1.00 1.16 C ATOM 966 OD1 ASP A 64 4.266 1.655 26.433 1.00 1.70 O ATOM 967 OD2 ASP A 64 3.954 0.614 28.294 1.00 1.85 O ATOM 0 H ASP A 64 0.785 2.053 26.895 1.00 0.52 H new ATOM 0 HA ASP A 64 2.558 1.133 24.648 1.00 0.52 H new ATOM 0 HB2 ASP A 64 1.813 -0.242 27.261 1.00 0.57 H new ATOM 0 HB3 ASP A 64 2.907 -0.862 26.041 1.00 0.57 H new ATOM 972 N VAL A 65 0.770 -0.443 23.744 1.00 0.31 N ATOM 973 CA VAL A 65 -0.395 -1.147 23.148 1.00 0.30 C ATOM 974 C VAL A 65 -0.215 -2.668 23.254 1.00 0.28 C ATOM 975 O VAL A 65 0.557 -3.256 22.523 1.00 0.30 O ATOM 976 CB VAL A 65 -0.489 -0.741 21.690 1.00 0.28 C ATOM 977 CG1 VAL A 65 -1.847 -1.149 21.111 1.00 0.45 C ATOM 978 CG2 VAL A 65 -0.319 0.782 21.588 1.00 0.38 C ATOM 0 H VAL A 65 1.636 -0.497 23.208 1.00 0.31 H new ATOM 0 HA VAL A 65 -1.306 -0.876 23.681 1.00 0.30 H new ATOM 0 HB VAL A 65 0.295 -1.243 21.123 1.00 0.28 H new ATOM 0 HG11 VAL A 65 -1.900 -0.851 20.064 1.00 0.45 H new ATOM 0 HG12 VAL A 65 -1.965 -2.230 21.187 1.00 0.45 H new ATOM 0 HG13 VAL A 65 -2.643 -0.657 21.669 1.00 0.45 H new ATOM 0 HG21 VAL A 65 -0.385 1.086 20.543 1.00 0.38 H new ATOM 0 HG22 VAL A 65 -1.105 1.275 22.160 1.00 0.38 H new ATOM 0 HG23 VAL A 65 0.654 1.067 21.988 1.00 0.38 H new ATOM 988 N PRO A 66 -0.950 -3.252 24.163 1.00 0.30 N ATOM 989 CA PRO A 66 -0.931 -4.704 24.414 1.00 0.35 C ATOM 990 C PRO A 66 -1.839 -5.426 23.412 1.00 0.36 C ATOM 991 O PRO A 66 -2.124 -4.921 22.344 1.00 0.36 O ATOM 992 CB PRO A 66 -1.499 -4.821 25.833 1.00 0.44 C ATOM 993 CG PRO A 66 -2.333 -3.540 26.075 1.00 0.44 C ATOM 994 CD PRO A 66 -1.863 -2.504 25.038 1.00 0.35 C ATOM 0 HA PRO A 66 0.059 -5.148 24.311 1.00 0.35 H new ATOM 0 HB2 PRO A 66 -2.118 -5.712 25.931 1.00 0.44 H new ATOM 0 HB3 PRO A 66 -0.697 -4.907 26.567 1.00 0.44 H new ATOM 0 HG2 PRO A 66 -3.398 -3.744 25.963 1.00 0.44 H new ATOM 0 HG3 PRO A 66 -2.185 -3.168 27.089 1.00 0.44 H new ATOM 0 HD2 PRO A 66 -2.703 -2.093 24.478 1.00 0.35 H new ATOM 0 HD3 PRO A 66 -1.357 -1.665 25.516 1.00 0.35 H new ATOM 1002 N GLY A 67 -2.302 -6.600 23.751 1.00 0.41 N ATOM 1003 CA GLY A 67 -3.198 -7.346 22.822 1.00 0.46 C ATOM 1004 C GLY A 67 -2.465 -7.614 21.509 1.00 0.49 C ATOM 1005 O GLY A 67 -3.069 -7.918 20.500 1.00 0.86 O ATOM 0 H GLY A 67 -2.098 -7.074 24.631 1.00 0.41 H new ATOM 0 HA2 GLY A 67 -3.507 -8.287 23.276 1.00 0.46 H new ATOM 0 HA3 GLY A 67 -4.104 -6.770 22.634 1.00 0.46 H new ATOM 1009 N ILE A 68 -1.166 -7.505 21.513 1.00 0.37 N ATOM 1010 CA ILE A 68 -0.397 -7.754 20.263 1.00 0.37 C ATOM 1011 C ILE A 68 0.289 -9.117 20.351 1.00 0.29 C ATOM 1012 O ILE A 68 -0.007 -9.920 21.213 1.00 0.38 O ATOM 1013 CB ILE A 68 0.664 -6.670 20.091 1.00 0.44 C ATOM 1014 CG1 ILE A 68 1.646 -6.749 21.261 1.00 0.41 C ATOM 1015 CG2 ILE A 68 -0.009 -5.297 20.069 1.00 0.62 C ATOM 1016 CD1 ILE A 68 2.816 -5.794 21.024 1.00 0.54 C ATOM 0 H ILE A 68 -0.604 -7.255 22.327 1.00 0.37 H new ATOM 0 HA ILE A 68 -1.078 -7.738 19.412 1.00 0.37 H new ATOM 0 HB ILE A 68 1.200 -6.818 19.153 1.00 0.44 H new ATOM 0 HG12 ILE A 68 1.139 -6.492 22.191 1.00 0.41 H new ATOM 0 HG13 ILE A 68 2.014 -7.769 21.370 1.00 0.41 H new ATOM 0 HG21 ILE A 68 0.748 -4.523 19.946 1.00 0.62 H new ATOM 0 HG22 ILE A 68 -0.714 -5.250 19.239 1.00 0.62 H new ATOM 0 HG23 ILE A 68 -0.542 -5.138 21.006 1.00 0.62 H new ATOM 0 HD11 ILE A 68 3.511 -5.856 21.861 1.00 0.54 H new ATOM 0 HD12 ILE A 68 3.331 -6.070 20.104 1.00 0.54 H new ATOM 0 HD13 ILE A 68 2.441 -4.774 20.938 1.00 0.54 H new ATOM 1028 N ASP A 69 1.205 -9.383 19.461 1.00 0.27 N ATOM 1029 CA ASP A 69 1.912 -10.691 19.488 1.00 0.30 C ATOM 1030 C ASP A 69 3.265 -10.522 20.178 1.00 0.35 C ATOM 1031 O ASP A 69 4.170 -9.910 19.646 1.00 0.54 O ATOM 1032 CB ASP A 69 2.132 -11.186 18.056 1.00 0.31 C ATOM 1033 CG ASP A 69 2.882 -12.519 18.086 1.00 0.52 C ATOM 1034 OD1 ASP A 69 2.707 -13.253 19.045 1.00 0.97 O ATOM 1035 OD2 ASP A 69 3.618 -12.783 17.150 1.00 0.97 O ATOM 0 H ASP A 69 1.494 -8.749 18.716 1.00 0.27 H new ATOM 0 HA ASP A 69 1.309 -11.417 20.034 1.00 0.30 H new ATOM 0 HB2 ASP A 69 1.174 -11.307 17.551 1.00 0.31 H new ATOM 0 HB3 ASP A 69 2.701 -10.449 17.489 1.00 0.31 H new ATOM 1040 N THR A 70 3.414 -11.064 21.355 1.00 0.30 N ATOM 1041 CA THR A 70 4.714 -10.939 22.069 1.00 0.30 C ATOM 1042 C THR A 70 5.634 -12.076 21.622 1.00 0.29 C ATOM 1043 O THR A 70 6.250 -12.752 22.422 1.00 0.33 O ATOM 1044 CB THR A 70 4.478 -11.019 23.579 1.00 0.36 C ATOM 1045 OG1 THR A 70 3.413 -11.921 23.843 1.00 0.45 O ATOM 1046 CG2 THR A 70 4.118 -9.630 24.112 1.00 0.38 C ATOM 0 H THR A 70 2.693 -11.587 21.852 1.00 0.30 H new ATOM 0 HA THR A 70 5.178 -9.981 21.835 1.00 0.30 H new ATOM 0 HB THR A 70 5.383 -11.373 24.072 1.00 0.36 H new ATOM 0 HG1 THR A 70 3.262 -11.975 24.810 1.00 0.45 H new ATOM 0 HG21 THR A 70 3.950 -9.685 25.187 1.00 0.38 H new ATOM 0 HG22 THR A 70 4.936 -8.939 23.908 1.00 0.38 H new ATOM 0 HG23 THR A 70 3.212 -9.275 23.621 1.00 0.38 H new ATOM 1054 N ASN A 71 5.721 -12.286 20.339 1.00 0.25 N ATOM 1055 CA ASN A 71 6.584 -13.368 19.797 1.00 0.26 C ATOM 1056 C ASN A 71 6.418 -13.383 18.275 1.00 0.25 C ATOM 1057 O ASN A 71 5.638 -14.137 17.728 1.00 0.35 O ATOM 1058 CB ASN A 71 6.153 -14.707 20.395 1.00 0.32 C ATOM 1059 CG ASN A 71 7.021 -15.830 19.823 1.00 0.49 C ATOM 1060 OD1 ASN A 71 7.868 -15.592 18.985 1.00 1.23 O ATOM 1061 ND2 ASN A 71 6.844 -17.052 20.243 1.00 0.95 N ATOM 0 H ASN A 71 5.222 -11.744 19.633 1.00 0.25 H new ATOM 0 HA ASN A 71 7.630 -13.198 20.053 1.00 0.26 H new ATOM 0 HB2 ASN A 71 6.247 -14.679 21.481 1.00 0.32 H new ATOM 0 HB3 ASN A 71 5.103 -14.895 20.171 1.00 0.32 H new ATOM 0 HD21 ASN A 71 7.417 -17.808 19.868 1.00 0.95 H new ATOM 0 HD22 ASN A 71 6.133 -17.252 20.947 1.00 0.95 H new ATOM 1068 N ALA A 72 7.120 -12.516 17.597 1.00 0.23 N ATOM 1069 CA ALA A 72 6.986 -12.423 16.114 1.00 0.28 C ATOM 1070 C ALA A 72 7.489 -13.691 15.416 1.00 0.29 C ATOM 1071 O ALA A 72 7.358 -13.821 14.221 1.00 0.27 O ATOM 1072 CB ALA A 72 7.786 -11.223 15.615 1.00 0.32 C ATOM 0 H ALA A 72 7.786 -11.863 18.010 1.00 0.23 H new ATOM 0 HA ALA A 72 5.929 -12.307 15.877 1.00 0.28 H new ATOM 0 HB1 ALA A 72 7.693 -11.149 14.532 1.00 0.32 H new ATOM 0 HB2 ALA A 72 7.402 -10.313 16.076 1.00 0.32 H new ATOM 0 HB3 ALA A 72 8.835 -11.349 15.881 1.00 0.32 H new ATOM 1078 N CYS A 73 8.057 -14.624 16.126 1.00 0.35 N ATOM 1079 CA CYS A 73 8.542 -15.865 15.451 1.00 0.38 C ATOM 1080 C CYS A 73 7.341 -16.620 14.868 1.00 0.38 C ATOM 1081 O CYS A 73 7.487 -17.536 14.083 1.00 0.41 O ATOM 1082 CB CYS A 73 9.277 -16.756 16.462 1.00 0.47 C ATOM 1083 SG CYS A 73 9.300 -18.469 15.866 1.00 1.18 S ATOM 0 H CYS A 73 8.207 -14.585 17.134 1.00 0.35 H new ATOM 0 HA CYS A 73 9.232 -15.600 14.650 1.00 0.38 H new ATOM 0 HB2 CYS A 73 10.296 -16.397 16.604 1.00 0.47 H new ATOM 0 HB3 CYS A 73 8.783 -16.705 17.432 1.00 0.47 H new ATOM 1088 N HIS A 74 6.150 -16.236 15.241 1.00 0.37 N ATOM 1089 CA HIS A 74 4.942 -16.931 14.708 1.00 0.40 C ATOM 1090 C HIS A 74 4.683 -16.490 13.265 1.00 0.37 C ATOM 1091 O HIS A 74 4.051 -17.188 12.497 1.00 0.44 O ATOM 1092 CB HIS A 74 3.730 -16.580 15.574 1.00 0.44 C ATOM 1093 CG HIS A 74 3.385 -17.754 16.448 1.00 0.58 C ATOM 1094 ND1 HIS A 74 2.079 -18.049 16.810 1.00 0.83 N ATOM 1095 CD2 HIS A 74 4.164 -18.718 17.039 1.00 0.87 C ATOM 1096 CE1 HIS A 74 2.112 -19.148 17.585 1.00 1.09 C ATOM 1097 NE2 HIS A 74 3.358 -19.597 17.756 1.00 1.07 N ATOM 0 H HIS A 74 5.961 -15.473 15.891 1.00 0.37 H new ATOM 0 HA HIS A 74 5.108 -18.008 14.729 1.00 0.40 H new ATOM 0 HB2 HIS A 74 3.949 -15.707 16.189 1.00 0.44 H new ATOM 0 HB3 HIS A 74 2.880 -16.321 14.942 1.00 0.44 H new ATOM 0 HD2 HIS A 74 5.239 -18.784 16.959 1.00 0.87 H new ATOM 0 HE1 HIS A 74 1.237 -19.611 18.017 1.00 1.09 H new ATOM 0 HE2 HIS A 74 3.655 -20.410 18.296 1.00 1.07 H new ATOM 1105 N PHE A 75 5.168 -15.340 12.889 1.00 0.31 N ATOM 1106 CA PHE A 75 4.952 -14.856 11.494 1.00 0.33 C ATOM 1107 C PHE A 75 6.284 -14.888 10.741 1.00 0.34 C ATOM 1108 O PHE A 75 6.327 -14.984 9.530 1.00 0.48 O ATOM 1109 CB PHE A 75 4.418 -13.422 11.530 1.00 0.33 C ATOM 1110 CG PHE A 75 3.161 -13.375 12.366 1.00 0.32 C ATOM 1111 CD1 PHE A 75 1.940 -13.782 11.817 1.00 0.47 C ATOM 1112 CD2 PHE A 75 3.218 -12.925 13.691 1.00 0.33 C ATOM 1113 CE1 PHE A 75 0.774 -13.739 12.592 1.00 0.52 C ATOM 1114 CE2 PHE A 75 2.053 -12.882 14.466 1.00 0.37 C ATOM 1115 CZ PHE A 75 0.831 -13.289 13.916 1.00 0.42 C ATOM 0 H PHE A 75 5.706 -14.712 13.487 1.00 0.31 H new ATOM 0 HA PHE A 75 4.230 -15.497 10.989 1.00 0.33 H new ATOM 0 HB2 PHE A 75 5.170 -12.753 11.947 1.00 0.33 H new ATOM 0 HB3 PHE A 75 4.208 -13.075 10.518 1.00 0.33 H new ATOM 0 HD1 PHE A 75 1.897 -14.129 10.795 1.00 0.47 H new ATOM 0 HD2 PHE A 75 4.161 -12.611 14.115 1.00 0.33 H new ATOM 0 HE1 PHE A 75 -0.168 -14.053 12.168 1.00 0.52 H new ATOM 0 HE2 PHE A 75 2.097 -12.535 15.488 1.00 0.37 H new ATOM 0 HZ PHE A 75 -0.068 -13.256 14.514 1.00 0.42 H new ATOM 1125 N VAL A 76 7.369 -14.820 11.458 1.00 0.27 N ATOM 1126 CA VAL A 76 8.709 -14.857 10.814 1.00 0.29 C ATOM 1127 C VAL A 76 9.345 -16.220 11.114 1.00 0.30 C ATOM 1128 O VAL A 76 8.903 -16.933 11.993 1.00 0.32 O ATOM 1129 CB VAL A 76 9.567 -13.707 11.360 1.00 0.30 C ATOM 1130 CG1 VAL A 76 8.683 -12.492 11.616 1.00 0.26 C ATOM 1131 CG2 VAL A 76 10.248 -14.129 12.664 1.00 0.35 C ATOM 0 H VAL A 76 7.384 -14.739 12.475 1.00 0.27 H new ATOM 0 HA VAL A 76 8.629 -14.731 9.734 1.00 0.29 H new ATOM 0 HB VAL A 76 10.333 -13.456 10.627 1.00 0.30 H new ATOM 0 HG11 VAL A 76 9.291 -11.675 12.004 1.00 0.26 H new ATOM 0 HG12 VAL A 76 8.211 -12.182 10.683 1.00 0.26 H new ATOM 0 HG13 VAL A 76 7.914 -12.749 12.344 1.00 0.26 H new ATOM 0 HG21 VAL A 76 10.854 -13.305 13.041 1.00 0.35 H new ATOM 0 HG22 VAL A 76 9.490 -14.390 13.402 1.00 0.35 H new ATOM 0 HG23 VAL A 76 10.886 -14.993 12.478 1.00 0.35 H new ATOM 1141 N LYS A 77 10.351 -16.607 10.379 1.00 0.33 N ATOM 1142 CA LYS A 77 10.967 -17.946 10.624 1.00 0.33 C ATOM 1143 C LYS A 77 12.079 -17.861 11.674 1.00 0.31 C ATOM 1144 O LYS A 77 13.226 -17.613 11.360 1.00 0.31 O ATOM 1145 CB LYS A 77 11.549 -18.538 9.325 1.00 0.36 C ATOM 1146 CG LYS A 77 11.799 -17.452 8.274 1.00 0.35 C ATOM 1147 CD LYS A 77 10.503 -17.150 7.518 1.00 0.79 C ATOM 1148 CE LYS A 77 9.974 -18.431 6.872 1.00 1.59 C ATOM 1149 NZ LYS A 77 8.969 -18.080 5.828 1.00 2.17 N ATOM 0 H LYS A 77 10.771 -16.062 9.626 1.00 0.33 H new ATOM 0 HA LYS A 77 10.174 -18.597 10.992 1.00 0.33 H new ATOM 0 HB2 LYS A 77 12.484 -19.054 9.546 1.00 0.36 H new ATOM 0 HB3 LYS A 77 10.862 -19.283 8.924 1.00 0.36 H new ATOM 0 HG2 LYS A 77 12.169 -16.547 8.755 1.00 0.35 H new ATOM 0 HG3 LYS A 77 12.569 -17.780 7.576 1.00 0.35 H new ATOM 0 HD2 LYS A 77 9.759 -16.741 8.201 1.00 0.79 H new ATOM 0 HD3 LYS A 77 10.684 -16.394 6.754 1.00 0.79 H new ATOM 0 HE2 LYS A 77 10.795 -18.993 6.428 1.00 1.59 H new ATOM 0 HE3 LYS A 77 9.521 -19.072 7.628 1.00 1.59 H new ATOM 0 HZ1 LYS A 77 8.608 -18.950 5.387 1.00 2.17 H new ATOM 0 HZ2 LYS A 77 8.181 -17.561 6.265 1.00 2.17 H new ATOM 0 HZ3 LYS A 77 9.416 -17.484 5.102 1.00 2.17 H new ATOM 1163 N CYS A 78 11.753 -18.107 12.916 1.00 0.32 N ATOM 1164 CA CYS A 78 12.800 -18.085 13.979 1.00 0.32 C ATOM 1165 C CYS A 78 13.394 -19.498 14.073 1.00 0.31 C ATOM 1166 O CYS A 78 12.743 -20.454 13.700 1.00 0.33 O ATOM 1167 CB CYS A 78 12.178 -17.674 15.320 1.00 0.37 C ATOM 1168 SG CYS A 78 11.231 -19.053 16.012 1.00 0.89 S ATOM 0 H CYS A 78 10.810 -18.322 13.239 1.00 0.32 H new ATOM 0 HA CYS A 78 13.580 -17.363 13.738 1.00 0.32 H new ATOM 0 HB2 CYS A 78 12.961 -17.374 16.017 1.00 0.37 H new ATOM 0 HB3 CYS A 78 11.528 -16.810 15.179 1.00 0.37 H new ATOM 1173 N PRO A 79 14.622 -19.600 14.522 1.00 0.29 N ATOM 1174 CA PRO A 79 15.435 -18.457 14.982 1.00 0.28 C ATOM 1175 C PRO A 79 15.850 -17.544 13.837 1.00 0.28 C ATOM 1176 O PRO A 79 16.313 -17.986 12.804 1.00 0.31 O ATOM 1177 CB PRO A 79 16.672 -19.113 15.607 1.00 0.29 C ATOM 1178 CG PRO A 79 16.753 -20.535 15.027 1.00 0.32 C ATOM 1179 CD PRO A 79 15.329 -20.897 14.570 1.00 0.31 C ATOM 0 HA PRO A 79 14.879 -17.823 15.673 1.00 0.28 H new ATOM 0 HB2 PRO A 79 17.573 -18.546 15.371 1.00 0.29 H new ATOM 0 HB3 PRO A 79 16.589 -19.141 16.693 1.00 0.29 H new ATOM 0 HG2 PRO A 79 17.451 -20.575 14.191 1.00 0.32 H new ATOM 0 HG3 PRO A 79 17.112 -21.241 15.776 1.00 0.32 H new ATOM 0 HD2 PRO A 79 15.336 -21.383 13.594 1.00 0.31 H new ATOM 0 HD3 PRO A 79 14.850 -21.586 15.266 1.00 0.31 H new ATOM 1187 N LEU A 80 15.718 -16.265 14.036 1.00 0.27 N ATOM 1188 CA LEU A 80 16.137 -15.312 12.983 1.00 0.29 C ATOM 1189 C LEU A 80 17.654 -15.241 13.017 1.00 0.28 C ATOM 1190 O LEU A 80 18.247 -14.858 14.002 1.00 0.36 O ATOM 1191 CB LEU A 80 15.550 -13.935 13.257 1.00 0.30 C ATOM 1192 CG LEU A 80 14.036 -14.058 13.422 1.00 0.34 C ATOM 1193 CD1 LEU A 80 13.531 -12.941 14.334 1.00 0.33 C ATOM 1194 CD2 LEU A 80 13.372 -13.947 12.049 1.00 0.60 C ATOM 0 H LEU A 80 15.338 -15.841 14.882 1.00 0.27 H new ATOM 0 HA LEU A 80 15.784 -15.641 12.006 1.00 0.29 H new ATOM 0 HB2 LEU A 80 15.993 -13.511 14.158 1.00 0.30 H new ATOM 0 HB3 LEU A 80 15.785 -13.257 12.437 1.00 0.30 H new ATOM 0 HG LEU A 80 13.790 -15.022 13.868 1.00 0.34 H new ATOM 0 HD11 LEU A 80 12.451 -13.028 14.452 1.00 0.33 H new ATOM 0 HD12 LEU A 80 14.011 -13.023 15.309 1.00 0.33 H new ATOM 0 HD13 LEU A 80 13.771 -11.974 13.892 1.00 0.33 H new ATOM 0 HD21 LEU A 80 12.291 -14.034 12.159 1.00 0.60 H new ATOM 0 HD22 LEU A 80 13.615 -12.982 11.604 1.00 0.60 H new ATOM 0 HD23 LEU A 80 13.736 -14.746 11.403 1.00 0.60 H new ATOM 1206 N VAL A 81 18.284 -15.638 11.964 1.00 0.32 N ATOM 1207 CA VAL A 81 19.769 -15.636 11.946 1.00 0.30 C ATOM 1208 C VAL A 81 20.297 -14.291 11.453 1.00 0.33 C ATOM 1209 O VAL A 81 19.802 -13.720 10.502 1.00 0.43 O ATOM 1210 CB VAL A 81 20.259 -16.760 11.038 1.00 0.33 C ATOM 1211 CG1 VAL A 81 21.775 -16.654 10.865 1.00 0.33 C ATOM 1212 CG2 VAL A 81 19.907 -18.108 11.677 1.00 0.43 C ATOM 0 H VAL A 81 17.839 -15.967 11.107 1.00 0.32 H new ATOM 0 HA VAL A 81 20.141 -15.796 12.958 1.00 0.30 H new ATOM 0 HB VAL A 81 19.781 -16.680 10.062 1.00 0.33 H new ATOM 0 HG11 VAL A 81 22.124 -17.457 10.216 1.00 0.33 H new ATOM 0 HG12 VAL A 81 22.024 -15.692 10.417 1.00 0.33 H new ATOM 0 HG13 VAL A 81 22.259 -16.737 11.838 1.00 0.33 H new ATOM 0 HG21 VAL A 81 20.254 -18.917 11.034 1.00 0.43 H new ATOM 0 HG22 VAL A 81 20.390 -18.186 12.651 1.00 0.43 H new ATOM 0 HG23 VAL A 81 18.827 -18.181 11.801 1.00 0.43 H new ATOM 1222 N LYS A 82 21.306 -13.788 12.106 1.00 0.29 N ATOM 1223 CA LYS A 82 21.896 -12.491 11.716 1.00 0.33 C ATOM 1224 C LYS A 82 22.373 -12.542 10.275 1.00 0.32 C ATOM 1225 O LYS A 82 23.243 -13.310 9.917 1.00 0.42 O ATOM 1226 CB LYS A 82 23.073 -12.203 12.644 1.00 0.40 C ATOM 1227 CG LYS A 82 23.591 -10.804 12.368 1.00 0.40 C ATOM 1228 CD LYS A 82 25.004 -10.654 12.935 1.00 0.71 C ATOM 1229 CE LYS A 82 25.243 -11.724 14.002 1.00 1.19 C ATOM 1230 NZ LYS A 82 26.347 -11.290 14.903 1.00 1.45 N ATOM 0 H LYS A 82 21.751 -14.234 12.908 1.00 0.29 H new ATOM 0 HA LYS A 82 21.148 -11.703 11.800 1.00 0.33 H new ATOM 0 HB2 LYS A 82 22.761 -12.290 13.685 1.00 0.40 H new ATOM 0 HB3 LYS A 82 23.865 -12.935 12.486 1.00 0.40 H new ATOM 0 HG2 LYS A 82 23.598 -10.614 11.295 1.00 0.40 H new ATOM 0 HG3 LYS A 82 22.928 -10.065 12.818 1.00 0.40 H new ATOM 0 HD2 LYS A 82 25.740 -10.751 12.137 1.00 0.71 H new ATOM 0 HD3 LYS A 82 25.131 -9.661 13.366 1.00 0.71 H new ATOM 0 HE2 LYS A 82 24.332 -11.888 14.578 1.00 1.19 H new ATOM 0 HE3 LYS A 82 25.497 -12.673 13.530 1.00 1.19 H new ATOM 0 HZ1 LYS A 82 26.509 -12.017 15.628 1.00 1.45 H new ATOM 0 HZ2 LYS A 82 27.216 -11.155 14.347 1.00 1.45 H new ATOM 0 HZ3 LYS A 82 26.088 -10.394 15.363 1.00 1.45 H new ATOM 1244 N GLY A 83 21.812 -11.711 9.447 1.00 0.31 N ATOM 1245 CA GLY A 83 22.236 -11.689 8.030 1.00 0.30 C ATOM 1246 C GLY A 83 21.068 -12.072 7.119 1.00 0.27 C ATOM 1247 O GLY A 83 21.104 -11.846 5.925 1.00 0.30 O ATOM 0 H GLY A 83 21.078 -11.047 9.693 1.00 0.31 H new ATOM 0 HA2 GLY A 83 22.600 -10.695 7.768 1.00 0.30 H new ATOM 0 HA3 GLY A 83 23.064 -12.381 7.881 1.00 0.30 H new ATOM 1251 N GLN A 84 20.026 -12.635 7.666 1.00 0.23 N ATOM 1252 CA GLN A 84 18.859 -13.011 6.821 1.00 0.22 C ATOM 1253 C GLN A 84 17.774 -11.969 7.027 1.00 0.21 C ATOM 1254 O GLN A 84 17.733 -11.304 8.037 1.00 0.25 O ATOM 1255 CB GLN A 84 18.331 -14.391 7.238 1.00 0.22 C ATOM 1256 CG GLN A 84 16.867 -14.564 6.799 1.00 0.25 C ATOM 1257 CD GLN A 84 16.803 -14.707 5.278 1.00 0.31 C ATOM 1258 OE1 GLN A 84 17.718 -14.318 4.580 1.00 0.70 O ATOM 1259 NE2 GLN A 84 15.750 -15.251 4.730 1.00 1.05 N ATOM 0 H GLN A 84 19.933 -12.850 8.659 1.00 0.23 H new ATOM 0 HA GLN A 84 19.155 -13.054 5.773 1.00 0.22 H new ATOM 0 HB2 GLN A 84 18.946 -15.172 6.791 1.00 0.22 H new ATOM 0 HB3 GLN A 84 18.408 -14.505 8.319 1.00 0.22 H new ATOM 0 HG2 GLN A 84 16.435 -15.444 7.276 1.00 0.25 H new ATOM 0 HG3 GLN A 84 16.277 -13.706 7.119 1.00 0.25 H new ATOM 0 HE21 GLN A 84 14.982 -15.578 5.316 1.00 1.05 H new ATOM 0 HE22 GLN A 84 15.696 -15.349 3.716 1.00 1.05 H new ATOM 1268 N GLN A 85 16.888 -11.823 6.093 1.00 0.21 N ATOM 1269 CA GLN A 85 15.808 -10.827 6.270 1.00 0.21 C ATOM 1270 C GLN A 85 14.497 -11.570 6.493 1.00 0.22 C ATOM 1271 O GLN A 85 14.305 -12.667 6.008 1.00 0.29 O ATOM 1272 CB GLN A 85 15.704 -9.937 5.035 1.00 0.24 C ATOM 1273 CG GLN A 85 14.239 -9.793 4.653 1.00 0.27 C ATOM 1274 CD GLN A 85 14.111 -8.860 3.448 1.00 0.35 C ATOM 1275 OE1 GLN A 85 13.527 -7.799 3.545 1.00 0.90 O ATOM 1276 NE2 GLN A 85 14.636 -9.212 2.306 1.00 1.10 N ATOM 0 H GLN A 85 16.864 -12.347 5.218 1.00 0.21 H new ATOM 0 HA GLN A 85 16.026 -10.193 7.129 1.00 0.21 H new ATOM 0 HB2 GLN A 85 16.138 -8.958 5.238 1.00 0.24 H new ATOM 0 HB3 GLN A 85 16.268 -10.371 4.209 1.00 0.24 H new ATOM 0 HG2 GLN A 85 13.817 -10.770 4.416 1.00 0.27 H new ATOM 0 HG3 GLN A 85 13.671 -9.396 5.494 1.00 0.27 H new ATOM 0 HE21 GLN A 85 15.127 -10.102 2.223 1.00 1.10 H new ATOM 0 HE22 GLN A 85 14.556 -8.597 1.497 1.00 1.10 H new ATOM 1285 N TYR A 86 13.602 -10.996 7.237 1.00 0.19 N ATOM 1286 CA TYR A 86 12.319 -11.687 7.505 1.00 0.22 C ATOM 1287 C TYR A 86 11.154 -10.737 7.258 1.00 0.23 C ATOM 1288 O TYR A 86 11.257 -9.541 7.443 1.00 0.24 O ATOM 1289 CB TYR A 86 12.303 -12.153 8.959 1.00 0.22 C ATOM 1290 CG TYR A 86 13.384 -13.172 9.158 1.00 0.24 C ATOM 1291 CD1 TYR A 86 14.723 -12.779 9.184 1.00 0.24 C ATOM 1292 CD2 TYR A 86 13.042 -14.510 9.311 1.00 0.29 C ATOM 1293 CE1 TYR A 86 15.725 -13.735 9.364 1.00 0.29 C ATOM 1294 CE2 TYR A 86 14.040 -15.471 9.489 1.00 0.34 C ATOM 1295 CZ TYR A 86 15.383 -15.084 9.516 1.00 0.33 C ATOM 1296 OH TYR A 86 16.369 -16.033 9.686 1.00 0.40 O ATOM 0 H TYR A 86 13.703 -10.079 7.671 1.00 0.19 H new ATOM 0 HA TYR A 86 12.220 -12.544 6.839 1.00 0.22 H new ATOM 0 HB2 TYR A 86 12.457 -11.306 9.627 1.00 0.22 H new ATOM 0 HB3 TYR A 86 11.332 -12.582 9.206 1.00 0.22 H new ATOM 0 HD1 TYR A 86 14.984 -11.738 9.065 1.00 0.24 H new ATOM 0 HD2 TYR A 86 12.004 -14.807 9.292 1.00 0.29 H new ATOM 0 HE1 TYR A 86 16.762 -13.434 9.386 1.00 0.29 H new ATOM 0 HE2 TYR A 86 13.774 -16.511 9.606 1.00 0.34 H new ATOM 0 HH TYR A 86 15.959 -16.918 9.777 1.00 0.40 H new ATOM 1306 N ASP A 87 10.038 -11.270 6.855 1.00 0.26 N ATOM 1307 CA ASP A 87 8.850 -10.414 6.609 1.00 0.29 C ATOM 1308 C ASP A 87 7.752 -10.836 7.577 1.00 0.26 C ATOM 1309 O ASP A 87 7.259 -11.946 7.526 1.00 0.28 O ATOM 1310 CB ASP A 87 8.369 -10.599 5.168 1.00 0.38 C ATOM 1311 CG ASP A 87 8.175 -12.088 4.879 1.00 0.92 C ATOM 1312 OD1 ASP A 87 7.080 -12.577 5.105 1.00 1.41 O ATOM 1313 OD2 ASP A 87 9.123 -12.714 4.436 1.00 1.36 O ATOM 0 H ASP A 87 9.897 -12.266 6.685 1.00 0.26 H new ATOM 0 HA ASP A 87 9.103 -9.365 6.760 1.00 0.29 H new ATOM 0 HB2 ASP A 87 7.432 -10.064 5.015 1.00 0.38 H new ATOM 0 HB3 ASP A 87 9.095 -10.175 4.474 1.00 0.38 H new ATOM 1318 N ILE A 88 7.374 -9.973 8.474 1.00 0.23 N ATOM 1319 CA ILE A 88 6.325 -10.348 9.452 1.00 0.21 C ATOM 1320 C ILE A 88 5.008 -9.657 9.136 1.00 0.21 C ATOM 1321 O ILE A 88 4.896 -8.448 9.165 1.00 0.23 O ATOM 1322 CB ILE A 88 6.733 -9.935 10.859 1.00 0.22 C ATOM 1323 CG1 ILE A 88 5.509 -10.071 11.766 1.00 0.23 C ATOM 1324 CG2 ILE A 88 7.201 -8.477 10.863 1.00 0.25 C ATOM 1325 CD1 ILE A 88 5.950 -10.196 13.218 1.00 0.26 C ATOM 0 H ILE A 88 7.745 -9.028 8.571 1.00 0.23 H new ATOM 0 HA ILE A 88 6.204 -11.429 9.389 1.00 0.21 H new ATOM 0 HB ILE A 88 7.548 -10.568 11.210 1.00 0.22 H new ATOM 0 HG12 ILE A 88 4.860 -9.203 11.648 1.00 0.23 H new ATOM 0 HG13 ILE A 88 4.927 -10.946 11.477 1.00 0.23 H new ATOM 0 HG21 ILE A 88 7.491 -8.191 11.874 1.00 0.25 H new ATOM 0 HG22 ILE A 88 8.056 -8.367 10.196 1.00 0.25 H new ATOM 0 HG23 ILE A 88 6.390 -7.834 10.522 1.00 0.25 H new ATOM 0 HD11 ILE A 88 5.073 -10.292 13.858 1.00 0.26 H new ATOM 0 HD12 ILE A 88 6.581 -11.077 13.332 1.00 0.26 H new ATOM 0 HD13 ILE A 88 6.513 -9.308 13.505 1.00 0.26 H new ATOM 1337 N LYS A 89 3.996 -10.431 8.906 1.00 0.22 N ATOM 1338 CA LYS A 89 2.653 -9.852 8.668 1.00 0.23 C ATOM 1339 C LYS A 89 1.894 -10.062 9.971 1.00 0.22 C ATOM 1340 O LYS A 89 1.473 -11.158 10.284 1.00 0.26 O ATOM 1341 CB LYS A 89 1.956 -10.586 7.519 1.00 0.25 C ATOM 1342 CG LYS A 89 0.534 -10.047 7.353 1.00 0.41 C ATOM 1343 CD LYS A 89 -0.131 -10.726 6.154 1.00 1.15 C ATOM 1344 CE LYS A 89 -1.435 -10.001 5.814 1.00 1.75 C ATOM 1345 NZ LYS A 89 -2.281 -10.879 4.957 1.00 2.39 N ATOM 0 H LYS A 89 4.040 -11.449 8.872 1.00 0.22 H new ATOM 0 HA LYS A 89 2.702 -8.799 8.390 1.00 0.23 H new ATOM 0 HB2 LYS A 89 2.517 -10.451 6.594 1.00 0.25 H new ATOM 0 HB3 LYS A 89 1.929 -11.657 7.722 1.00 0.25 H new ATOM 0 HG2 LYS A 89 -0.045 -10.233 8.257 1.00 0.41 H new ATOM 0 HG3 LYS A 89 0.558 -8.967 7.206 1.00 0.41 H new ATOM 0 HD2 LYS A 89 0.540 -10.710 5.295 1.00 1.15 H new ATOM 0 HD3 LYS A 89 -0.333 -11.773 6.382 1.00 1.15 H new ATOM 0 HE2 LYS A 89 -1.969 -9.743 6.728 1.00 1.75 H new ATOM 0 HE3 LYS A 89 -1.220 -9.067 5.296 1.00 1.75 H new ATOM 0 HZ1 LYS A 89 -3.168 -10.388 4.725 1.00 2.39 H new ATOM 0 HZ2 LYS A 89 -1.770 -11.104 4.080 1.00 2.39 H new ATOM 0 HZ3 LYS A 89 -2.496 -11.759 5.468 1.00 2.39 H new ATOM 1359 N TYR A 90 1.774 -9.043 10.767 1.00 0.37 N ATOM 1360 CA TYR A 90 1.112 -9.220 12.084 1.00 0.38 C ATOM 1361 C TYR A 90 -0.140 -8.359 12.201 1.00 0.37 C ATOM 1362 O TYR A 90 -0.164 -7.214 11.796 1.00 0.40 O ATOM 1363 CB TYR A 90 2.090 -8.817 13.188 1.00 0.44 C ATOM 1364 CG TYR A 90 1.371 -8.926 14.489 1.00 0.37 C ATOM 1365 CD1 TYR A 90 0.639 -10.077 14.753 1.00 0.37 C ATOM 1366 CD2 TYR A 90 1.403 -7.877 15.410 1.00 0.42 C ATOM 1367 CE1 TYR A 90 -0.068 -10.194 15.942 1.00 0.40 C ATOM 1368 CE2 TYR A 90 0.689 -7.986 16.605 1.00 0.37 C ATOM 1369 CZ TYR A 90 -0.050 -9.150 16.872 1.00 0.37 C ATOM 1370 OH TYR A 90 -0.764 -9.264 18.044 1.00 0.42 O ATOM 0 H TYR A 90 2.104 -8.099 10.565 1.00 0.37 H new ATOM 0 HA TYR A 90 0.821 -10.266 12.181 1.00 0.38 H new ATOM 0 HB2 TYR A 90 2.966 -9.466 13.179 1.00 0.44 H new ATOM 0 HB3 TYR A 90 2.446 -7.799 13.031 1.00 0.44 H new ATOM 0 HD1 TYR A 90 0.620 -10.881 14.033 1.00 0.37 H new ATOM 0 HD2 TYR A 90 1.977 -6.987 15.199 1.00 0.42 H new ATOM 0 HE1 TYR A 90 -0.632 -11.092 16.149 1.00 0.40 H new ATOM 0 HE2 TYR A 90 0.705 -7.178 17.321 1.00 0.37 H new ATOM 0 HH TYR A 90 -0.776 -10.201 18.330 1.00 0.42 H new ATOM 1380 N THR A 91 -1.174 -8.897 12.792 1.00 0.31 N ATOM 1381 CA THR A 91 -2.410 -8.099 12.976 1.00 0.27 C ATOM 1382 C THR A 91 -2.319 -7.420 14.341 1.00 0.28 C ATOM 1383 O THR A 91 -2.418 -8.048 15.376 1.00 0.76 O ATOM 1384 CB THR A 91 -3.636 -9.016 12.933 1.00 0.25 C ATOM 1385 OG1 THR A 91 -3.224 -10.363 13.120 1.00 0.33 O ATOM 1386 CG2 THR A 91 -4.332 -8.876 11.578 1.00 0.44 C ATOM 0 H THR A 91 -1.212 -9.851 13.152 1.00 0.31 H new ATOM 0 HA THR A 91 -2.509 -7.358 12.183 1.00 0.27 H new ATOM 0 HB THR A 91 -4.330 -8.735 13.725 1.00 0.25 H new ATOM 0 HG1 THR A 91 -4.007 -10.951 13.095 1.00 0.33 H new ATOM 0 HG21 THR A 91 -5.204 -9.529 11.548 1.00 0.44 H new ATOM 0 HG22 THR A 91 -4.647 -7.842 11.436 1.00 0.44 H new ATOM 0 HG23 THR A 91 -3.641 -9.157 10.783 1.00 0.44 H new ATOM 1394 N TRP A 92 -2.106 -6.141 14.335 1.00 0.59 N ATOM 1395 CA TRP A 92 -1.972 -5.378 15.605 1.00 0.52 C ATOM 1396 C TRP A 92 -3.357 -4.983 16.115 1.00 0.52 C ATOM 1397 O TRP A 92 -3.909 -3.973 15.729 1.00 0.57 O ATOM 1398 CB TRP A 92 -1.134 -4.136 15.306 1.00 0.52 C ATOM 1399 CG TRP A 92 -0.890 -3.330 16.536 1.00 0.41 C ATOM 1400 CD1 TRP A 92 -0.267 -3.775 17.650 1.00 0.35 C ATOM 1401 CD2 TRP A 92 -1.222 -1.933 16.783 1.00 0.37 C ATOM 1402 NE1 TRP A 92 -0.197 -2.738 18.563 1.00 0.28 N ATOM 1403 CE2 TRP A 92 -0.768 -1.585 18.069 1.00 0.28 C ATOM 1404 CE3 TRP A 92 -1.866 -0.942 16.023 1.00 0.45 C ATOM 1405 CZ2 TRP A 92 -0.941 -0.302 18.578 1.00 0.27 C ATOM 1406 CZ3 TRP A 92 -2.044 0.349 16.546 1.00 0.42 C ATOM 1407 CH2 TRP A 92 -1.579 0.667 17.816 1.00 0.33 C ATOM 0 H TRP A 92 -2.017 -5.578 13.489 1.00 0.59 H new ATOM 0 HA TRP A 92 -1.490 -5.979 16.375 1.00 0.52 H new ATOM 0 HB2 TRP A 92 -0.180 -4.436 14.871 1.00 0.52 H new ATOM 0 HB3 TRP A 92 -1.644 -3.522 14.563 1.00 0.52 H new ATOM 0 HD1 TRP A 92 0.113 -4.774 17.802 1.00 0.35 H new ATOM 0 HE1 TRP A 92 0.225 -2.817 19.488 1.00 0.28 H new ATOM 0 HE3 TRP A 92 -2.226 -1.174 15.032 1.00 0.45 H new ATOM 0 HZ2 TRP A 92 -0.579 -0.060 19.566 1.00 0.27 H new ATOM 0 HZ3 TRP A 92 -2.547 1.101 15.956 1.00 0.42 H new ATOM 0 HH2 TRP A 92 -1.713 1.664 18.209 1.00 0.33 H new ATOM 1418 N ASN A 93 -3.925 -5.781 16.977 1.00 0.53 N ATOM 1419 CA ASN A 93 -5.278 -5.464 17.509 1.00 0.57 C ATOM 1420 C ASN A 93 -5.235 -4.134 18.259 1.00 0.58 C ATOM 1421 O ASN A 93 -4.679 -4.032 19.335 1.00 0.62 O ATOM 1422 CB ASN A 93 -5.720 -6.573 18.466 1.00 0.62 C ATOM 1423 CG ASN A 93 -7.191 -6.910 18.214 1.00 1.04 C ATOM 1424 OD1 ASN A 93 -7.735 -6.572 17.182 1.00 1.85 O ATOM 1425 ND2 ASN A 93 -7.862 -7.566 19.120 1.00 1.76 N ATOM 0 H ASN A 93 -3.509 -6.640 17.336 1.00 0.53 H new ATOM 0 HA ASN A 93 -5.985 -5.391 16.682 1.00 0.57 H new ATOM 0 HB2 ASN A 93 -5.103 -7.460 18.321 1.00 0.62 H new ATOM 0 HB3 ASN A 93 -5.581 -6.253 19.499 1.00 0.62 H new ATOM 0 HD21 ASN A 93 -8.843 -7.795 18.962 1.00 1.76 H new ATOM 0 HD22 ASN A 93 -7.405 -7.850 19.987 1.00 1.76 H new ATOM 1432 N VAL A 94 -5.824 -3.114 17.700 1.00 0.61 N ATOM 1433 CA VAL A 94 -5.824 -1.792 18.382 1.00 0.70 C ATOM 1434 C VAL A 94 -6.613 -1.911 19.688 1.00 0.78 C ATOM 1435 O VAL A 94 -7.632 -2.571 19.732 1.00 0.83 O ATOM 1436 CB VAL A 94 -6.490 -0.755 17.474 1.00 0.83 C ATOM 1437 CG1 VAL A 94 -6.319 0.641 18.073 1.00 0.99 C ATOM 1438 CG2 VAL A 94 -5.837 -0.798 16.090 1.00 0.92 C ATOM 0 H VAL A 94 -6.305 -3.140 16.801 1.00 0.61 H new ATOM 0 HA VAL A 94 -4.801 -1.481 18.595 1.00 0.70 H new ATOM 0 HB VAL A 94 -7.552 -0.982 17.386 1.00 0.83 H new ATOM 0 HG11 VAL A 94 -6.794 1.376 17.424 1.00 0.99 H new ATOM 0 HG12 VAL A 94 -6.783 0.673 19.059 1.00 0.99 H new ATOM 0 HG13 VAL A 94 -5.257 0.870 18.164 1.00 0.99 H new ATOM 0 HG21 VAL A 94 -6.310 -0.060 15.442 1.00 0.92 H new ATOM 0 HG22 VAL A 94 -4.775 -0.573 16.182 1.00 0.92 H new ATOM 0 HG23 VAL A 94 -5.961 -1.792 15.660 1.00 0.92 H new ATOM 1448 N PRO A 95 -6.122 -1.269 20.714 1.00 0.84 N ATOM 1449 CA PRO A 95 -6.770 -1.289 22.035 1.00 0.98 C ATOM 1450 C PRO A 95 -8.012 -0.395 22.027 1.00 1.14 C ATOM 1451 O PRO A 95 -8.018 0.671 21.444 1.00 2.22 O ATOM 1452 CB PRO A 95 -5.695 -0.736 22.974 1.00 0.94 C ATOM 1453 CG PRO A 95 -4.725 0.079 22.088 1.00 0.85 C ATOM 1454 CD PRO A 95 -4.885 -0.463 20.655 1.00 0.81 C ATOM 0 HA PRO A 95 -7.112 -2.280 22.334 1.00 0.98 H new ATOM 0 HB2 PRO A 95 -6.139 -0.107 23.746 1.00 0.94 H new ATOM 0 HB3 PRO A 95 -5.171 -1.544 23.484 1.00 0.94 H new ATOM 0 HG2 PRO A 95 -4.961 1.142 22.130 1.00 0.85 H new ATOM 0 HG3 PRO A 95 -3.697 -0.033 22.433 1.00 0.85 H new ATOM 0 HD2 PRO A 95 -4.970 0.346 19.929 1.00 0.81 H new ATOM 0 HD3 PRO A 95 -4.028 -1.068 20.359 1.00 0.81 H new ATOM 1462 N LYS A 96 -9.065 -0.825 22.664 1.00 0.61 N ATOM 1463 CA LYS A 96 -10.307 -0.005 22.686 1.00 0.56 C ATOM 1464 C LYS A 96 -10.152 1.141 23.690 1.00 0.51 C ATOM 1465 O LYS A 96 -11.076 1.891 23.934 1.00 0.54 O ATOM 1466 CB LYS A 96 -11.490 -0.886 23.088 1.00 0.73 C ATOM 1467 CG LYS A 96 -11.393 -2.231 22.369 1.00 1.37 C ATOM 1468 CD LYS A 96 -12.592 -2.397 21.444 1.00 1.65 C ATOM 1469 CE LYS A 96 -13.884 -2.165 22.232 1.00 1.80 C ATOM 1470 NZ LYS A 96 -14.839 -3.277 21.962 1.00 2.59 N ATOM 0 H LYS A 96 -9.119 -1.709 23.170 1.00 0.61 H new ATOM 0 HA LYS A 96 -10.485 0.411 21.694 1.00 0.56 H new ATOM 0 HB2 LYS A 96 -11.493 -1.038 24.167 1.00 0.73 H new ATOM 0 HB3 LYS A 96 -12.428 -0.392 22.833 1.00 0.73 H new ATOM 0 HG2 LYS A 96 -10.467 -2.284 21.796 1.00 1.37 H new ATOM 0 HG3 LYS A 96 -11.365 -3.043 23.095 1.00 1.37 H new ATOM 0 HD2 LYS A 96 -12.527 -1.690 20.617 1.00 1.65 H new ATOM 0 HD3 LYS A 96 -12.593 -3.397 21.010 1.00 1.65 H new ATOM 0 HE2 LYS A 96 -13.667 -2.109 23.299 1.00 1.80 H new ATOM 0 HE3 LYS A 96 -14.330 -1.212 21.947 1.00 1.80 H new ATOM 0 HZ1 LYS A 96 -15.716 -3.119 22.498 1.00 2.59 H new ATOM 0 HZ2 LYS A 96 -15.055 -3.310 20.945 1.00 2.59 H new ATOM 0 HZ3 LYS A 96 -14.413 -4.179 22.255 1.00 2.59 H new ATOM 1484 N ILE A 97 -8.993 1.286 24.277 1.00 0.47 N ATOM 1485 CA ILE A 97 -8.790 2.382 25.260 1.00 0.45 C ATOM 1486 C ILE A 97 -8.224 3.607 24.552 1.00 0.43 C ATOM 1487 O ILE A 97 -8.418 4.727 24.979 1.00 0.44 O ATOM 1488 CB ILE A 97 -7.785 1.923 26.309 1.00 0.47 C ATOM 1489 CG1 ILE A 97 -6.367 2.009 25.731 1.00 0.49 C ATOM 1490 CG2 ILE A 97 -8.088 0.480 26.714 1.00 0.49 C ATOM 1491 CD1 ILE A 97 -5.350 1.664 26.819 1.00 0.55 C ATOM 0 H ILE A 97 -8.180 0.691 24.116 1.00 0.47 H new ATOM 0 HA ILE A 97 -9.743 2.632 25.726 1.00 0.45 H new ATOM 0 HB ILE A 97 -7.858 2.566 27.186 1.00 0.47 H new ATOM 0 HG12 ILE A 97 -6.263 1.322 24.891 1.00 0.49 H new ATOM 0 HG13 ILE A 97 -6.179 3.012 25.348 1.00 0.49 H new ATOM 0 HG21 ILE A 97 -7.368 0.154 27.464 1.00 0.49 H new ATOM 0 HG22 ILE A 97 -9.095 0.422 27.128 1.00 0.49 H new ATOM 0 HG23 ILE A 97 -8.018 -0.166 25.839 1.00 0.49 H new ATOM 0 HD11 ILE A 97 -4.342 1.725 26.408 1.00 0.55 H new ATOM 0 HD12 ILE A 97 -5.448 2.368 27.645 1.00 0.55 H new ATOM 0 HD13 ILE A 97 -5.533 0.652 27.181 1.00 0.55 H new ATOM 1503 N ALA A 98 -7.511 3.392 23.482 1.00 0.42 N ATOM 1504 CA ALA A 98 -6.909 4.530 22.737 1.00 0.40 C ATOM 1505 C ALA A 98 -7.906 5.690 22.700 1.00 0.43 C ATOM 1506 O ALA A 98 -8.973 5.571 22.132 1.00 0.51 O ATOM 1507 CB ALA A 98 -6.578 4.103 21.310 1.00 0.40 C ATOM 0 H ALA A 98 -7.319 2.470 23.090 1.00 0.42 H new ATOM 0 HA ALA A 98 -5.993 4.843 23.238 1.00 0.40 H new ATOM 0 HB1 ALA A 98 -6.138 4.942 20.772 1.00 0.40 H new ATOM 0 HB2 ALA A 98 -5.870 3.275 21.333 1.00 0.40 H new ATOM 0 HB3 ALA A 98 -7.490 3.786 20.804 1.00 0.40 H new ATOM 1513 N PRO A 99 -7.533 6.771 23.323 1.00 0.42 N ATOM 1514 CA PRO A 99 -8.374 7.971 23.404 1.00 0.49 C ATOM 1515 C PRO A 99 -8.203 8.798 22.134 1.00 0.46 C ATOM 1516 O PRO A 99 -7.109 8.935 21.631 1.00 0.63 O ATOM 1517 CB PRO A 99 -7.810 8.713 24.619 1.00 0.55 C ATOM 1518 CG PRO A 99 -6.355 8.209 24.804 1.00 0.52 C ATOM 1519 CD PRO A 99 -6.233 6.900 23.999 1.00 0.42 C ATOM 0 HA PRO A 99 -9.439 7.760 23.499 1.00 0.49 H new ATOM 0 HB2 PRO A 99 -7.830 9.791 24.459 1.00 0.55 H new ATOM 0 HB3 PRO A 99 -8.407 8.511 25.509 1.00 0.55 H new ATOM 0 HG2 PRO A 99 -5.640 8.951 24.447 1.00 0.52 H new ATOM 0 HG3 PRO A 99 -6.136 8.037 25.858 1.00 0.52 H new ATOM 0 HD2 PRO A 99 -5.414 6.948 23.282 1.00 0.42 H new ATOM 0 HD3 PRO A 99 -6.036 6.048 24.650 1.00 0.42 H new ATOM 1527 N LYS A 100 -9.265 9.351 21.611 1.00 0.42 N ATOM 1528 CA LYS A 100 -9.134 10.171 20.374 1.00 0.37 C ATOM 1529 C LYS A 100 -8.013 11.188 20.583 1.00 0.34 C ATOM 1530 O LYS A 100 -8.229 12.279 21.071 1.00 0.44 O ATOM 1531 CB LYS A 100 -10.453 10.895 20.093 1.00 0.45 C ATOM 1532 CG LYS A 100 -11.584 9.870 19.992 1.00 0.77 C ATOM 1533 CD LYS A 100 -12.450 10.174 18.766 1.00 1.09 C ATOM 1534 CE LYS A 100 -12.676 11.683 18.659 1.00 2.07 C ATOM 1535 NZ LYS A 100 -14.066 11.944 18.189 1.00 2.91 N ATOM 0 H LYS A 100 -10.211 9.271 21.984 1.00 0.42 H new ATOM 0 HA LYS A 100 -8.899 9.532 19.523 1.00 0.37 H new ATOM 0 HB2 LYS A 100 -10.665 11.610 20.888 1.00 0.45 H new ATOM 0 HB3 LYS A 100 -10.378 11.463 19.166 1.00 0.45 H new ATOM 0 HG2 LYS A 100 -11.170 8.864 19.916 1.00 0.77 H new ATOM 0 HG3 LYS A 100 -12.194 9.897 20.895 1.00 0.77 H new ATOM 0 HD2 LYS A 100 -11.963 9.804 17.864 1.00 1.09 H new ATOM 0 HD3 LYS A 100 -13.407 9.658 18.847 1.00 1.09 H new ATOM 0 HE2 LYS A 100 -12.513 12.156 19.628 1.00 2.07 H new ATOM 0 HE3 LYS A 100 -11.958 12.121 17.966 1.00 2.07 H new ATOM 0 HZ1 LYS A 100 -14.221 12.970 18.116 1.00 2.91 H new ATOM 0 HZ2 LYS A 100 -14.205 11.505 17.256 1.00 2.91 H new ATOM 0 HZ3 LYS A 100 -14.743 11.539 18.866 1.00 2.91 H new ATOM 1549 N SER A 101 -6.811 10.825 20.233 1.00 0.32 N ATOM 1550 CA SER A 101 -5.664 11.747 20.423 1.00 0.34 C ATOM 1551 C SER A 101 -5.396 12.494 19.116 1.00 0.31 C ATOM 1552 O SER A 101 -5.132 11.895 18.093 1.00 0.29 O ATOM 1553 CB SER A 101 -4.432 10.930 20.826 1.00 0.37 C ATOM 1554 OG SER A 101 -3.539 11.758 21.559 1.00 0.80 O ATOM 0 H SER A 101 -6.575 9.922 19.821 1.00 0.32 H new ATOM 0 HA SER A 101 -5.888 12.471 21.206 1.00 0.34 H new ATOM 0 HB2 SER A 101 -4.731 10.074 21.430 1.00 0.37 H new ATOM 0 HB3 SER A 101 -3.936 10.537 19.939 1.00 0.37 H new ATOM 0 HG SER A 101 -2.739 11.934 21.021 1.00 0.80 H new ATOM 1560 N GLU A 102 -5.474 13.798 19.143 1.00 0.37 N ATOM 1561 CA GLU A 102 -5.236 14.590 17.902 1.00 0.42 C ATOM 1562 C GLU A 102 -4.057 13.995 17.130 1.00 0.35 C ATOM 1563 O GLU A 102 -4.132 13.787 15.938 1.00 0.35 O ATOM 1564 CB GLU A 102 -4.930 16.044 18.271 1.00 0.52 C ATOM 1565 CG GLU A 102 -3.544 16.133 18.912 1.00 0.90 C ATOM 1566 CD GLU A 102 -3.328 17.542 19.468 1.00 1.39 C ATOM 1567 OE1 GLU A 102 -3.828 17.816 20.546 1.00 1.91 O ATOM 1568 OE2 GLU A 102 -2.665 18.323 18.806 1.00 1.62 O ATOM 0 H GLU A 102 -5.693 14.349 19.973 1.00 0.37 H new ATOM 0 HA GLU A 102 -6.128 14.557 17.277 1.00 0.42 H new ATOM 0 HB2 GLU A 102 -4.970 16.671 17.381 1.00 0.52 H new ATOM 0 HB3 GLU A 102 -5.685 16.421 18.961 1.00 0.52 H new ATOM 0 HG2 GLU A 102 -3.453 15.397 19.711 1.00 0.90 H new ATOM 0 HG3 GLU A 102 -2.775 15.900 18.175 1.00 0.90 H new ATOM 1575 N ASN A 103 -2.971 13.717 17.798 1.00 0.31 N ATOM 1576 CA ASN A 103 -1.796 13.131 17.095 1.00 0.27 C ATOM 1577 C ASN A 103 -1.280 11.918 17.874 1.00 0.26 C ATOM 1578 O ASN A 103 -1.126 11.959 19.079 1.00 0.35 O ATOM 1579 CB ASN A 103 -0.686 14.180 16.990 1.00 0.30 C ATOM 1580 CG ASN A 103 -0.194 14.260 15.544 1.00 0.78 C ATOM 1581 OD1 ASN A 103 -0.743 14.991 14.743 1.00 1.89 O ATOM 1582 ND2 ASN A 103 0.825 13.534 15.172 1.00 1.53 N ATOM 0 H ASN A 103 -2.847 13.870 18.799 1.00 0.31 H new ATOM 0 HA ASN A 103 -2.095 12.817 16.095 1.00 0.27 H new ATOM 0 HB2 ASN A 103 -1.058 15.152 17.313 1.00 0.30 H new ATOM 0 HB3 ASN A 103 0.139 13.919 17.652 1.00 0.30 H new ATOM 0 HD21 ASN A 103 1.160 13.580 14.210 1.00 1.53 H new ATOM 0 HD22 ASN A 103 1.286 12.920 15.844 1.00 1.53 H new ATOM 1589 N VAL A 104 -1.007 10.842 17.191 1.00 0.23 N ATOM 1590 CA VAL A 104 -0.496 9.624 17.874 1.00 0.23 C ATOM 1591 C VAL A 104 0.757 9.131 17.149 1.00 0.23 C ATOM 1592 O VAL A 104 0.909 9.315 15.958 1.00 0.25 O ATOM 1593 CB VAL A 104 -1.567 8.534 17.845 1.00 0.30 C ATOM 1594 CG1 VAL A 104 -0.898 7.160 17.903 1.00 0.63 C ATOM 1595 CG2 VAL A 104 -2.490 8.703 19.054 1.00 0.60 C ATOM 0 H VAL A 104 -1.117 10.755 16.181 1.00 0.23 H new ATOM 0 HA VAL A 104 -0.251 9.859 18.910 1.00 0.23 H new ATOM 0 HB VAL A 104 -2.148 8.615 16.926 1.00 0.30 H new ATOM 0 HG11 VAL A 104 -1.662 6.382 17.882 1.00 0.63 H new ATOM 0 HG12 VAL A 104 -0.236 7.041 17.045 1.00 0.63 H new ATOM 0 HG13 VAL A 104 -0.319 7.076 18.823 1.00 0.63 H new ATOM 0 HG21 VAL A 104 -3.256 7.928 19.038 1.00 0.60 H new ATOM 0 HG22 VAL A 104 -1.907 8.619 19.971 1.00 0.60 H new ATOM 0 HG23 VAL A 104 -2.965 9.683 19.015 1.00 0.60 H new ATOM 1605 N VAL A 105 1.654 8.501 17.854 1.00 0.24 N ATOM 1606 CA VAL A 105 2.890 7.992 17.203 1.00 0.29 C ATOM 1607 C VAL A 105 3.029 6.509 17.527 1.00 0.26 C ATOM 1608 O VAL A 105 3.128 6.118 18.671 1.00 0.25 O ATOM 1609 CB VAL A 105 4.104 8.752 17.738 1.00 0.33 C ATOM 1610 CG1 VAL A 105 5.384 8.128 17.181 1.00 0.57 C ATOM 1611 CG2 VAL A 105 4.021 10.216 17.301 1.00 0.63 C ATOM 0 H VAL A 105 1.583 8.317 18.855 1.00 0.24 H new ATOM 0 HA VAL A 105 2.832 8.136 16.124 1.00 0.29 H new ATOM 0 HB VAL A 105 4.116 8.696 18.826 1.00 0.33 H new ATOM 0 HG11 VAL A 105 6.249 8.670 17.563 1.00 0.57 H new ATOM 0 HG12 VAL A 105 5.444 7.084 17.490 1.00 0.57 H new ATOM 0 HG13 VAL A 105 5.372 8.184 16.092 1.00 0.57 H new ATOM 0 HG21 VAL A 105 4.886 10.759 17.682 1.00 0.63 H new ATOM 0 HG22 VAL A 105 4.009 10.271 16.212 1.00 0.63 H new ATOM 0 HG23 VAL A 105 3.109 10.663 17.697 1.00 0.63 H new ATOM 1621 N VAL A 106 3.027 5.677 16.533 1.00 0.29 N ATOM 1622 CA VAL A 106 3.142 4.222 16.796 1.00 0.29 C ATOM 1623 C VAL A 106 4.599 3.786 16.641 1.00 0.27 C ATOM 1624 O VAL A 106 5.300 4.224 15.751 1.00 0.29 O ATOM 1625 CB VAL A 106 2.248 3.474 15.812 1.00 0.31 C ATOM 1626 CG1 VAL A 106 1.967 2.066 16.339 1.00 0.33 C ATOM 1627 CG2 VAL A 106 0.929 4.241 15.669 1.00 0.38 C ATOM 0 H VAL A 106 2.951 5.939 15.550 1.00 0.29 H new ATOM 0 HA VAL A 106 2.823 3.996 17.813 1.00 0.29 H new ATOM 0 HB VAL A 106 2.743 3.398 14.844 1.00 0.31 H new ATOM 0 HG11 VAL A 106 1.328 1.534 15.634 1.00 0.33 H new ATOM 0 HG12 VAL A 106 2.907 1.527 16.455 1.00 0.33 H new ATOM 0 HG13 VAL A 106 1.465 2.132 17.304 1.00 0.33 H new ATOM 0 HG21 VAL A 106 0.278 3.718 14.968 1.00 0.38 H new ATOM 0 HG22 VAL A 106 0.439 4.306 16.640 1.00 0.38 H new ATOM 0 HG23 VAL A 106 1.131 5.245 15.297 1.00 0.38 H new ATOM 1637 N THR A 107 5.063 2.937 17.516 1.00 0.27 N ATOM 1638 CA THR A 107 6.478 2.483 17.442 1.00 0.27 C ATOM 1639 C THR A 107 6.527 0.971 17.270 1.00 0.29 C ATOM 1640 O THR A 107 6.147 0.233 18.149 1.00 0.37 O ATOM 1641 CB THR A 107 7.177 2.829 18.755 1.00 0.29 C ATOM 1642 OG1 THR A 107 7.003 4.210 19.039 1.00 0.33 O ATOM 1643 CG2 THR A 107 8.668 2.508 18.642 1.00 0.36 C ATOM 0 H THR A 107 4.520 2.537 18.281 1.00 0.27 H new ATOM 0 HA THR A 107 6.966 2.971 16.599 1.00 0.27 H new ATOM 0 HB THR A 107 6.743 2.240 19.562 1.00 0.29 H new ATOM 0 HG1 THR A 107 7.451 4.429 19.883 1.00 0.33 H new ATOM 0 HG21 THR A 107 9.166 2.755 19.580 1.00 0.36 H new ATOM 0 HG22 THR A 107 8.797 1.446 18.432 1.00 0.36 H new ATOM 0 HG23 THR A 107 9.106 3.093 17.833 1.00 0.36 H new ATOM 1651 N VAL A 108 7.026 0.500 16.170 1.00 0.25 N ATOM 1652 CA VAL A 108 7.120 -0.969 15.980 1.00 0.29 C ATOM 1653 C VAL A 108 8.531 -1.398 16.381 1.00 0.29 C ATOM 1654 O VAL A 108 9.502 -0.839 15.928 1.00 0.29 O ATOM 1655 CB VAL A 108 6.872 -1.304 14.511 1.00 0.30 C ATOM 1656 CG1 VAL A 108 8.104 -1.998 13.927 1.00 0.36 C ATOM 1657 CG2 VAL A 108 5.656 -2.225 14.397 1.00 0.29 C ATOM 0 H VAL A 108 7.373 1.065 15.395 1.00 0.25 H new ATOM 0 HA VAL A 108 6.379 -1.489 16.587 1.00 0.29 H new ATOM 0 HB VAL A 108 6.682 -0.386 13.956 1.00 0.30 H new ATOM 0 HG11 VAL A 108 7.925 -2.236 12.879 1.00 0.36 H new ATOM 0 HG12 VAL A 108 8.966 -1.336 14.006 1.00 0.36 H new ATOM 0 HG13 VAL A 108 8.300 -2.917 14.479 1.00 0.36 H new ATOM 0 HG21 VAL A 108 5.478 -2.465 13.349 1.00 0.29 H new ATOM 0 HG22 VAL A 108 5.842 -3.144 14.953 1.00 0.29 H new ATOM 0 HG23 VAL A 108 4.780 -1.724 14.808 1.00 0.29 H new ATOM 1667 N LYS A 109 8.666 -2.358 17.245 1.00 0.32 N ATOM 1668 CA LYS A 109 10.032 -2.755 17.674 1.00 0.33 C ATOM 1669 C LYS A 109 10.153 -4.271 17.753 1.00 0.32 C ATOM 1670 O LYS A 109 9.360 -4.943 18.379 1.00 0.34 O ATOM 1671 CB LYS A 109 10.299 -2.153 19.056 1.00 0.35 C ATOM 1672 CG LYS A 109 11.778 -1.796 19.187 1.00 0.63 C ATOM 1673 CD LYS A 109 12.256 -2.133 20.602 1.00 0.62 C ATOM 1674 CE LYS A 109 11.366 -1.423 21.624 1.00 0.85 C ATOM 1675 NZ LYS A 109 11.674 0.035 21.623 1.00 1.41 N ATOM 0 H LYS A 109 7.900 -2.881 17.670 1.00 0.32 H new ATOM 0 HA LYS A 109 10.758 -2.390 16.948 1.00 0.33 H new ATOM 0 HB2 LYS A 109 9.686 -1.263 19.200 1.00 0.35 H new ATOM 0 HB3 LYS A 109 10.017 -2.863 19.833 1.00 0.35 H new ATOM 0 HG2 LYS A 109 12.364 -2.348 18.452 1.00 0.63 H new ATOM 0 HG3 LYS A 109 11.928 -0.736 18.983 1.00 0.63 H new ATOM 0 HD2 LYS A 109 12.223 -3.211 20.762 1.00 0.62 H new ATOM 0 HD3 LYS A 109 13.293 -1.824 20.730 1.00 0.62 H new ATOM 0 HE2 LYS A 109 10.316 -1.584 21.381 1.00 0.85 H new ATOM 0 HE3 LYS A 109 11.531 -1.840 22.618 1.00 0.85 H new ATOM 0 HZ1 LYS A 109 11.157 0.500 22.397 1.00 1.41 H new ATOM 0 HZ2 LYS A 109 12.696 0.174 21.757 1.00 1.41 H new ATOM 0 HZ3 LYS A 109 11.384 0.450 20.715 1.00 1.41 H new ATOM 1689 N LEU A 110 11.166 -4.811 17.146 1.00 0.29 N ATOM 1690 CA LEU A 110 11.369 -6.278 17.207 1.00 0.26 C ATOM 1691 C LEU A 110 12.506 -6.540 18.189 1.00 0.23 C ATOM 1692 O LEU A 110 13.482 -5.819 18.213 1.00 0.26 O ATOM 1693 CB LEU A 110 11.747 -6.817 15.824 1.00 0.27 C ATOM 1694 CG LEU A 110 10.528 -6.791 14.898 1.00 0.33 C ATOM 1695 CD1 LEU A 110 10.805 -7.661 13.672 1.00 0.56 C ATOM 1696 CD2 LEU A 110 9.305 -7.338 15.637 1.00 0.44 C ATOM 0 H LEU A 110 11.864 -4.298 16.608 1.00 0.29 H new ATOM 0 HA LEU A 110 10.454 -6.776 17.528 1.00 0.26 H new ATOM 0 HB2 LEU A 110 12.550 -6.216 15.398 1.00 0.27 H new ATOM 0 HB3 LEU A 110 12.124 -7.836 15.913 1.00 0.27 H new ATOM 0 HG LEU A 110 10.334 -5.764 14.587 1.00 0.33 H new ATOM 0 HD11 LEU A 110 9.939 -7.644 13.011 1.00 0.56 H new ATOM 0 HD12 LEU A 110 11.675 -7.274 13.140 1.00 0.56 H new ATOM 0 HD13 LEU A 110 11.000 -8.685 13.989 1.00 0.56 H new ATOM 0 HD21 LEU A 110 8.440 -7.317 14.974 1.00 0.44 H new ATOM 0 HD22 LEU A 110 9.498 -8.364 15.950 1.00 0.44 H new ATOM 0 HD23 LEU A 110 9.105 -6.723 16.514 1.00 0.44 H new ATOM 1708 N ILE A 111 12.383 -7.535 19.020 1.00 0.21 N ATOM 1709 CA ILE A 111 13.448 -7.806 20.007 1.00 0.20 C ATOM 1710 C ILE A 111 13.774 -9.299 20.022 1.00 0.18 C ATOM 1711 O ILE A 111 12.947 -10.122 20.358 1.00 0.21 O ATOM 1712 CB ILE A 111 12.956 -7.388 21.385 1.00 0.24 C ATOM 1713 CG1 ILE A 111 12.737 -5.874 21.414 1.00 0.28 C ATOM 1714 CG2 ILE A 111 14.004 -7.778 22.412 1.00 0.28 C ATOM 1715 CD1 ILE A 111 11.390 -5.543 20.771 1.00 0.29 C ATOM 0 H ILE A 111 11.586 -8.171 19.054 1.00 0.21 H new ATOM 0 HA ILE A 111 14.345 -7.246 19.740 1.00 0.20 H new ATOM 0 HB ILE A 111 12.013 -7.884 21.613 1.00 0.24 H new ATOM 0 HG12 ILE A 111 12.761 -5.512 22.442 1.00 0.28 H new ATOM 0 HG13 ILE A 111 13.541 -5.369 20.879 1.00 0.28 H new ATOM 0 HG21 ILE A 111 13.666 -7.485 23.406 1.00 0.28 H new ATOM 0 HG22 ILE A 111 14.157 -8.857 22.384 1.00 0.28 H new ATOM 0 HG23 ILE A 111 14.942 -7.273 22.184 1.00 0.28 H new ATOM 0 HD11 ILE A 111 11.233 -4.465 20.791 1.00 0.29 H new ATOM 0 HD12 ILE A 111 11.384 -5.892 19.738 1.00 0.29 H new ATOM 0 HD13 ILE A 111 10.591 -6.037 21.325 1.00 0.29 H new ATOM 1727 N GLY A 112 14.977 -9.655 19.669 1.00 0.18 N ATOM 1728 CA GLY A 112 15.356 -11.094 19.675 1.00 0.22 C ATOM 1729 C GLY A 112 15.914 -11.459 21.051 1.00 0.30 C ATOM 1730 O GLY A 112 15.289 -11.228 22.067 1.00 0.54 O ATOM 0 H GLY A 112 15.713 -9.012 19.377 1.00 0.18 H new ATOM 0 HA2 GLY A 112 14.488 -11.712 19.445 1.00 0.22 H new ATOM 0 HA3 GLY A 112 16.100 -11.290 18.903 1.00 0.22 H new ATOM 1734 N ASP A 113 17.089 -12.023 21.094 1.00 0.36 N ATOM 1735 CA ASP A 113 17.689 -12.398 22.405 1.00 0.44 C ATOM 1736 C ASP A 113 18.980 -11.604 22.624 1.00 0.46 C ATOM 1737 O ASP A 113 19.628 -11.726 23.644 1.00 0.54 O ATOM 1738 CB ASP A 113 18.010 -13.892 22.407 1.00 0.50 C ATOM 1739 CG ASP A 113 17.144 -14.601 23.450 1.00 0.83 C ATOM 1740 OD1 ASP A 113 17.327 -14.332 24.626 1.00 1.32 O ATOM 1741 OD2 ASP A 113 16.312 -15.401 23.055 1.00 1.14 O ATOM 0 H ASP A 113 17.660 -12.241 20.277 1.00 0.36 H new ATOM 0 HA ASP A 113 16.983 -12.173 23.204 1.00 0.44 H new ATOM 0 HB2 ASP A 113 17.827 -14.315 21.419 1.00 0.50 H new ATOM 0 HB3 ASP A 113 19.066 -14.047 22.630 1.00 0.50 H new ATOM 1746 N ASN A 114 19.362 -10.796 21.672 1.00 0.41 N ATOM 1747 CA ASN A 114 20.616 -10.004 21.828 1.00 0.46 C ATOM 1748 C ASN A 114 20.285 -8.510 21.878 1.00 0.41 C ATOM 1749 O ASN A 114 21.152 -7.680 22.066 1.00 0.47 O ATOM 1750 CB ASN A 114 21.544 -10.281 20.643 1.00 0.47 C ATOM 1751 CG ASN A 114 22.781 -11.039 21.129 1.00 1.68 C ATOM 1752 OD1 ASN A 114 23.502 -10.565 21.985 1.00 2.26 O ATOM 1753 ND2 ASN A 114 23.061 -12.205 20.614 1.00 2.72 N ATOM 0 H ASN A 114 18.862 -10.650 20.795 1.00 0.41 H new ATOM 0 HA ASN A 114 21.110 -10.293 22.756 1.00 0.46 H new ATOM 0 HB2 ASN A 114 21.020 -10.865 19.886 1.00 0.47 H new ATOM 0 HB3 ASN A 114 21.841 -9.343 20.173 1.00 0.47 H new ATOM 0 HD21 ASN A 114 23.884 -12.718 20.930 1.00 2.72 H new ATOM 0 HD22 ASN A 114 22.457 -12.604 19.896 1.00 2.72 H new ATOM 1760 N GLY A 115 19.041 -8.159 21.712 1.00 0.34 N ATOM 1761 CA GLY A 115 18.665 -6.717 21.752 1.00 0.33 C ATOM 1762 C GLY A 115 17.428 -6.481 20.884 1.00 0.28 C ATOM 1763 O GLY A 115 16.582 -7.342 20.747 1.00 0.31 O ATOM 0 H GLY A 115 18.269 -8.806 21.551 1.00 0.34 H new ATOM 0 HA2 GLY A 115 18.464 -6.412 22.779 1.00 0.33 H new ATOM 0 HA3 GLY A 115 19.494 -6.105 21.395 1.00 0.33 H new ATOM 1767 N VAL A 116 17.313 -5.320 20.297 1.00 0.31 N ATOM 1768 CA VAL A 116 16.125 -5.037 19.444 1.00 0.27 C ATOM 1769 C VAL A 116 16.413 -5.447 18.001 1.00 0.24 C ATOM 1770 O VAL A 116 17.200 -4.829 17.314 1.00 0.27 O ATOM 1771 CB VAL A 116 15.810 -3.541 19.483 1.00 0.29 C ATOM 1772 CG1 VAL A 116 14.337 -3.330 19.149 1.00 0.34 C ATOM 1773 CG2 VAL A 116 16.102 -2.994 20.882 1.00 0.49 C ATOM 0 H VAL A 116 17.988 -4.559 20.371 1.00 0.31 H new ATOM 0 HA VAL A 116 15.274 -5.604 19.822 1.00 0.27 H new ATOM 0 HB VAL A 116 16.429 -3.017 18.755 1.00 0.29 H new ATOM 0 HG11 VAL A 116 14.107 -2.265 19.175 1.00 0.34 H new ATOM 0 HG12 VAL A 116 14.130 -3.721 18.153 1.00 0.34 H new ATOM 0 HG13 VAL A 116 13.720 -3.853 19.880 1.00 0.34 H new ATOM 0 HG21 VAL A 116 15.878 -1.928 20.910 1.00 0.49 H new ATOM 0 HG22 VAL A 116 15.483 -3.514 21.613 1.00 0.49 H new ATOM 0 HG23 VAL A 116 17.154 -3.150 21.121 1.00 0.49 H new ATOM 1783 N LEU A 117 15.774 -6.483 17.536 1.00 0.21 N ATOM 1784 CA LEU A 117 16.002 -6.931 16.135 1.00 0.21 C ATOM 1785 C LEU A 117 15.780 -5.760 15.167 1.00 0.23 C ATOM 1786 O LEU A 117 16.505 -5.602 14.204 1.00 0.29 O ATOM 1787 CB LEU A 117 15.028 -8.061 15.798 1.00 0.18 C ATOM 1788 CG LEU A 117 15.499 -9.358 16.458 1.00 0.19 C ATOM 1789 CD1 LEU A 117 14.429 -10.437 16.282 1.00 0.34 C ATOM 1790 CD2 LEU A 117 16.802 -9.822 15.801 1.00 0.28 C ATOM 0 H LEU A 117 15.103 -7.039 18.066 1.00 0.21 H new ATOM 0 HA LEU A 117 17.027 -7.287 16.036 1.00 0.21 H new ATOM 0 HB2 LEU A 117 14.026 -7.807 16.145 1.00 0.18 H new ATOM 0 HB3 LEU A 117 14.967 -8.192 14.718 1.00 0.18 H new ATOM 0 HG LEU A 117 15.669 -9.183 17.520 1.00 0.19 H new ATOM 0 HD11 LEU A 117 14.764 -11.362 16.752 1.00 0.34 H new ATOM 0 HD12 LEU A 117 13.501 -10.108 16.749 1.00 0.34 H new ATOM 0 HD13 LEU A 117 14.259 -10.611 15.219 1.00 0.34 H new ATOM 0 HD21 LEU A 117 17.138 -10.746 16.271 1.00 0.28 H new ATOM 0 HD22 LEU A 117 16.632 -9.997 14.739 1.00 0.28 H new ATOM 0 HD23 LEU A 117 17.565 -9.054 15.925 1.00 0.28 H new ATOM 1802 N ALA A 118 14.788 -4.935 15.403 1.00 0.25 N ATOM 1803 CA ALA A 118 14.546 -3.789 14.478 1.00 0.31 C ATOM 1804 C ALA A 118 13.776 -2.693 15.216 1.00 0.32 C ATOM 1805 O ALA A 118 13.685 -2.695 16.427 1.00 0.46 O ATOM 1806 CB ALA A 118 13.728 -4.266 13.277 1.00 0.33 C ATOM 0 H ALA A 118 14.142 -5.006 16.189 1.00 0.25 H new ATOM 0 HA ALA A 118 15.501 -3.393 14.132 1.00 0.31 H new ATOM 0 HB1 ALA A 118 13.551 -3.429 12.602 1.00 0.33 H new ATOM 0 HB2 ALA A 118 14.276 -5.047 12.751 1.00 0.33 H new ATOM 0 HB3 ALA A 118 12.773 -4.662 13.622 1.00 0.33 H new ATOM 1812 N CYS A 119 13.218 -1.753 14.500 1.00 0.25 N ATOM 1813 CA CYS A 119 12.459 -0.666 15.176 1.00 0.25 C ATOM 1814 C CYS A 119 11.800 0.236 14.125 1.00 0.24 C ATOM 1815 O CYS A 119 12.242 0.313 12.996 1.00 0.32 O ATOM 1816 CB CYS A 119 13.417 0.157 16.040 1.00 0.33 C ATOM 1817 SG CYS A 119 12.502 1.490 16.854 1.00 0.56 S ATOM 0 H CYS A 119 13.256 -1.692 13.482 1.00 0.25 H new ATOM 0 HA CYS A 119 11.684 -1.100 15.807 1.00 0.25 H new ATOM 0 HB2 CYS A 119 13.891 -0.481 16.786 1.00 0.33 H new ATOM 0 HB3 CYS A 119 14.214 0.572 15.423 1.00 0.33 H new ATOM 1822 N ALA A 120 10.746 0.920 14.489 1.00 0.24 N ATOM 1823 CA ALA A 120 10.058 1.813 13.517 1.00 0.28 C ATOM 1824 C ALA A 120 9.333 2.927 14.275 1.00 0.28 C ATOM 1825 O ALA A 120 8.767 2.705 15.327 1.00 0.26 O ATOM 1826 CB ALA A 120 9.038 1.009 12.712 1.00 0.39 C ATOM 0 H ALA A 120 10.333 0.897 15.421 1.00 0.24 H new ATOM 0 HA ALA A 120 10.796 2.246 12.842 1.00 0.28 H new ATOM 0 HB1 ALA A 120 8.536 1.666 12.001 1.00 0.39 H new ATOM 0 HB2 ALA A 120 9.548 0.212 12.171 1.00 0.39 H new ATOM 0 HB3 ALA A 120 8.301 0.575 13.388 1.00 0.39 H new ATOM 1832 N ILE A 121 9.332 4.118 13.747 1.00 0.32 N ATOM 1833 CA ILE A 121 8.629 5.234 14.438 1.00 0.35 C ATOM 1834 C ILE A 121 7.792 6.009 13.418 1.00 0.39 C ATOM 1835 O ILE A 121 8.311 6.564 12.470 1.00 0.52 O ATOM 1836 CB ILE A 121 9.658 6.172 15.072 1.00 0.42 C ATOM 1837 CG1 ILE A 121 10.167 5.558 16.379 1.00 0.43 C ATOM 1838 CG2 ILE A 121 9.005 7.523 15.365 1.00 0.52 C ATOM 1839 CD1 ILE A 121 11.485 6.224 16.776 1.00 0.75 C ATOM 0 H ILE A 121 9.787 4.367 12.869 1.00 0.32 H new ATOM 0 HA ILE A 121 7.980 4.832 15.216 1.00 0.35 H new ATOM 0 HB ILE A 121 10.493 6.314 14.386 1.00 0.42 H new ATOM 0 HG12 ILE A 121 9.427 5.692 17.168 1.00 0.43 H new ATOM 0 HG13 ILE A 121 10.312 4.485 16.257 1.00 0.43 H new ATOM 0 HG21 ILE A 121 9.738 8.191 15.817 1.00 0.52 H new ATOM 0 HG22 ILE A 121 8.640 7.960 14.435 1.00 0.52 H new ATOM 0 HG23 ILE A 121 8.171 7.382 16.052 1.00 0.52 H new ATOM 0 HD11 ILE A 121 11.848 5.787 17.706 1.00 0.75 H new ATOM 0 HD12 ILE A 121 12.223 6.067 15.990 1.00 0.75 H new ATOM 0 HD13 ILE A 121 11.325 7.293 16.915 1.00 0.75 H new ATOM 1851 N ALA A 122 6.501 6.052 13.600 1.00 0.38 N ATOM 1852 CA ALA A 122 5.640 6.792 12.635 1.00 0.40 C ATOM 1853 C ALA A 122 5.412 8.217 13.143 1.00 0.51 C ATOM 1854 O ALA A 122 5.269 8.448 14.327 1.00 0.66 O ATOM 1855 CB ALA A 122 4.295 6.076 12.497 1.00 0.48 C ATOM 0 H ALA A 122 6.006 5.608 14.373 1.00 0.38 H new ATOM 0 HA ALA A 122 6.132 6.828 11.663 1.00 0.40 H new ATOM 0 HB1 ALA A 122 3.665 6.617 11.791 1.00 0.48 H new ATOM 0 HB2 ALA A 122 4.458 5.062 12.133 1.00 0.48 H new ATOM 0 HB3 ALA A 122 3.802 6.038 13.468 1.00 0.48 H new ATOM 1861 N THR A 123 5.377 9.174 12.257 1.00 0.55 N ATOM 1862 CA THR A 123 5.159 10.583 12.691 1.00 0.72 C ATOM 1863 C THR A 123 3.686 10.953 12.511 1.00 0.79 C ATOM 1864 O THR A 123 2.889 10.831 13.421 1.00 2.06 O ATOM 1865 CB THR A 123 6.024 11.518 11.842 1.00 0.80 C ATOM 1866 OG1 THR A 123 6.373 10.865 10.629 1.00 1.34 O ATOM 1867 CG2 THR A 123 7.294 11.881 12.612 1.00 1.71 C ATOM 0 H THR A 123 5.490 9.042 11.252 1.00 0.55 H new ATOM 0 HA THR A 123 5.433 10.684 13.741 1.00 0.72 H new ATOM 0 HB THR A 123 5.466 12.427 11.619 1.00 0.80 H new ATOM 0 HG1 THR A 123 6.925 11.463 10.083 1.00 1.34 H new ATOM 0 HG21 THR A 123 7.909 12.547 12.006 1.00 1.71 H new ATOM 0 HG22 THR A 123 7.025 12.382 13.542 1.00 1.71 H new ATOM 0 HG23 THR A 123 7.855 10.974 12.837 1.00 1.71 H new ATOM 1875 N HIS A 124 3.318 11.408 11.345 1.00 0.77 N ATOM 1876 CA HIS A 124 1.898 11.789 11.108 1.00 0.67 C ATOM 1877 C HIS A 124 0.977 10.665 11.585 1.00 0.69 C ATOM 1878 O HIS A 124 0.991 9.570 11.059 1.00 1.47 O ATOM 1879 CB HIS A 124 1.677 12.030 9.613 1.00 0.76 C ATOM 1880 CG HIS A 124 1.614 13.510 9.349 1.00 1.23 C ATOM 1881 ND1 HIS A 124 2.131 14.077 8.195 1.00 1.88 N ATOM 1882 CD2 HIS A 124 1.100 14.551 10.081 1.00 2.00 C ATOM 1883 CE1 HIS A 124 1.919 15.404 8.265 1.00 2.39 C ATOM 1884 NE2 HIS A 124 1.293 15.746 9.394 1.00 2.56 N ATOM 0 H HIS A 124 3.940 11.532 10.546 1.00 0.77 H new ATOM 0 HA HIS A 124 1.672 12.700 11.661 1.00 0.67 H new ATOM 0 HB2 HIS A 124 2.487 11.581 9.038 1.00 0.76 H new ATOM 0 HB3 HIS A 124 0.752 11.552 9.289 1.00 0.76 H new ATOM 0 HD2 HIS A 124 0.619 14.457 11.043 1.00 2.00 H new ATOM 0 HE1 HIS A 124 2.219 16.107 7.501 1.00 2.39 H new ATOM 0 HE2 HIS A 124 1.016 16.682 9.689 1.00 2.56 H new ATOM 1892 N GLY A 125 0.173 10.931 12.578 1.00 0.41 N ATOM 1893 CA GLY A 125 -0.754 9.884 13.093 1.00 0.42 C ATOM 1894 C GLY A 125 -1.894 10.552 13.860 1.00 0.34 C ATOM 1895 O GLY A 125 -1.730 11.603 14.445 1.00 0.33 O ATOM 0 H GLY A 125 0.118 11.830 13.056 1.00 0.41 H new ATOM 0 HA2 GLY A 125 -1.152 9.296 12.266 1.00 0.42 H new ATOM 0 HA3 GLY A 125 -0.217 9.195 13.745 1.00 0.42 H new ATOM 1899 N LYS A 126 -3.047 9.949 13.859 1.00 0.34 N ATOM 1900 CA LYS A 126 -4.205 10.531 14.593 1.00 0.29 C ATOM 1901 C LYS A 126 -5.141 9.393 15.005 1.00 0.29 C ATOM 1902 O LYS A 126 -5.420 8.505 14.225 1.00 0.35 O ATOM 1903 CB LYS A 126 -4.951 11.510 13.685 1.00 0.35 C ATOM 1904 CG LYS A 126 -4.065 12.728 13.416 1.00 0.81 C ATOM 1905 CD LYS A 126 -4.943 13.971 13.248 1.00 0.86 C ATOM 1906 CE LYS A 126 -4.626 14.643 11.911 1.00 1.44 C ATOM 1907 NZ LYS A 126 -5.520 15.820 11.721 1.00 1.98 N ATOM 0 H LYS A 126 -3.240 9.071 13.378 1.00 0.34 H new ATOM 0 HA LYS A 126 -3.857 11.066 15.477 1.00 0.29 H new ATOM 0 HB2 LYS A 126 -5.215 11.024 12.746 1.00 0.35 H new ATOM 0 HB3 LYS A 126 -5.884 11.821 14.156 1.00 0.35 H new ATOM 0 HG2 LYS A 126 -3.366 12.872 14.240 1.00 0.81 H new ATOM 0 HG3 LYS A 126 -3.469 12.566 12.518 1.00 0.81 H new ATOM 0 HD2 LYS A 126 -5.996 13.693 13.287 1.00 0.86 H new ATOM 0 HD3 LYS A 126 -4.767 14.667 14.068 1.00 0.86 H new ATOM 0 HE2 LYS A 126 -3.583 14.958 11.889 1.00 1.44 H new ATOM 0 HE3 LYS A 126 -4.762 13.934 11.094 1.00 1.44 H new ATOM 0 HZ1 LYS A 126 -5.304 16.277 10.812 1.00 1.98 H new ATOM 0 HZ2 LYS A 126 -6.512 15.507 11.724 1.00 1.98 H new ATOM 0 HZ3 LYS A 126 -5.369 16.499 12.494 1.00 1.98 H new ATOM 1921 N ILE A 127 -5.634 9.396 16.213 1.00 0.27 N ATOM 1922 CA ILE A 127 -6.546 8.295 16.627 1.00 0.30 C ATOM 1923 C ILE A 127 -7.982 8.806 16.708 1.00 0.30 C ATOM 1924 O ILE A 127 -8.240 9.909 17.146 1.00 0.30 O ATOM 1925 CB ILE A 127 -6.131 7.745 17.988 1.00 0.32 C ATOM 1926 CG1 ILE A 127 -4.810 6.991 17.846 1.00 0.36 C ATOM 1927 CG2 ILE A 127 -7.208 6.780 18.483 1.00 0.35 C ATOM 1928 CD1 ILE A 127 -4.314 6.564 19.229 1.00 0.40 C ATOM 0 H ILE A 127 -5.447 10.104 16.923 1.00 0.27 H new ATOM 0 HA ILE A 127 -6.484 7.500 15.884 1.00 0.30 H new ATOM 0 HB ILE A 127 -6.011 8.564 18.697 1.00 0.32 H new ATOM 0 HG12 ILE A 127 -4.945 6.116 17.210 1.00 0.36 H new ATOM 0 HG13 ILE A 127 -4.067 7.625 17.362 1.00 0.36 H new ATOM 0 HG21 ILE A 127 -6.920 6.381 19.456 1.00 0.35 H new ATOM 0 HG22 ILE A 127 -8.157 7.309 18.574 1.00 0.35 H new ATOM 0 HG23 ILE A 127 -7.316 5.960 17.773 1.00 0.35 H new ATOM 0 HD11 ILE A 127 -3.371 6.026 19.127 1.00 0.40 H new ATOM 0 HD12 ILE A 127 -4.163 7.447 19.850 1.00 0.40 H new ATOM 0 HD13 ILE A 127 -5.054 5.914 19.696 1.00 0.40 H new ATOM 1940 N ARG A 128 -8.918 8.002 16.291 1.00 0.35 N ATOM 1941 CA ARG A 128 -10.345 8.423 16.343 1.00 0.35 C ATOM 1942 C ARG A 128 -11.173 7.311 16.989 1.00 0.40 C ATOM 1943 O ARG A 128 -10.663 6.260 17.323 1.00 0.45 O ATOM 1944 CB ARG A 128 -10.856 8.681 14.925 1.00 0.38 C ATOM 1945 CG ARG A 128 -10.514 10.112 14.508 1.00 0.39 C ATOM 1946 CD ARG A 128 -11.592 10.637 13.557 1.00 0.71 C ATOM 1947 NE ARG A 128 -11.041 11.763 12.753 1.00 1.61 N ATOM 1948 CZ ARG A 128 -11.841 12.502 12.033 1.00 2.10 C ATOM 1949 NH1 ARG A 128 -12.454 11.987 11.002 1.00 2.42 N ATOM 1950 NH2 ARG A 128 -12.028 13.756 12.344 1.00 2.60 N ATOM 0 H ARG A 128 -8.756 7.068 15.915 1.00 0.35 H new ATOM 0 HA ARG A 128 -10.435 9.337 16.930 1.00 0.35 H new ATOM 0 HB2 ARG A 128 -10.405 7.972 14.231 1.00 0.38 H new ATOM 0 HB3 ARG A 128 -11.934 8.527 14.883 1.00 0.38 H new ATOM 0 HG2 ARG A 128 -10.447 10.752 15.388 1.00 0.39 H new ATOM 0 HG3 ARG A 128 -9.540 10.137 14.020 1.00 0.39 H new ATOM 0 HD2 ARG A 128 -11.931 9.838 12.898 1.00 0.71 H new ATOM 0 HD3 ARG A 128 -12.460 10.972 14.124 1.00 0.71 H new ATOM 0 HE ARG A 128 -10.040 11.957 12.765 1.00 1.61 H new ATOM 0 HH11 ARG A 128 -12.308 11.007 10.759 1.00 2.42 H new ATOM 0 HH12 ARG A 128 -13.079 12.564 10.440 1.00 2.42 H new ATOM 0 HH21 ARG A 128 -11.549 14.159 13.150 1.00 2.60 H new ATOM 0 HH22 ARG A 128 -12.653 14.333 11.781 1.00 2.60 H new ATOM 1964 N ASP A 129 -12.447 7.530 17.167 1.00 0.47 N ATOM 1965 CA ASP A 129 -13.300 6.479 17.790 1.00 0.53 C ATOM 1966 C ASP A 129 -14.106 5.767 16.702 1.00 0.73 C ATOM 1967 O ASP A 129 -14.039 6.199 15.563 1.00 0.97 O ATOM 1968 CB ASP A 129 -14.258 7.125 18.793 1.00 0.71 C ATOM 1969 CG ASP A 129 -15.280 6.088 19.261 1.00 1.18 C ATOM 1970 OD1 ASP A 129 -16.297 5.947 18.601 1.00 1.62 O ATOM 1971 OD2 ASP A 129 -15.030 5.452 20.272 1.00 1.72 O ATOM 1972 OXT ASP A 129 -14.776 4.800 17.026 1.00 1.36 O ATOM 0 H ASP A 129 -12.933 8.389 16.909 1.00 0.47 H new ATOM 0 HA ASP A 129 -12.667 5.757 18.306 1.00 0.53 H new ATOM 0 HB2 ASP A 129 -13.701 7.513 19.646 1.00 0.71 H new ATOM 0 HB3 ASP A 129 -14.767 7.972 18.333 1.00 0.71 H new TER 1977 ASP A 129