USER MOD reduce.3.24.130724 H: found=0, std=0, add=1011, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1012 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 43 SER OG : rot -18:sc= 1.17 USER MOD Set 1.2: A 111 TYR OH : rot 60:sc= 0.463 USER MOD Set 2.1: A 38 HIS : no HE2:sc= -0.311 K(o=-3.4,f=-5.9) USER MOD Set 2.2: A 87 HIS : no HD1:sc= -3.08! C(o=-3.4!,f=-3.8!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -1.05 X(o=-1,f=-1.2) USER MOD Single : A 4 SER OG : rot -68:sc= 0.0814 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 37:sc= 0.0405 USER MOD Single : A 19 ASN : amide:sc= -0.246 K(o=-0.25,f=-1.7!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -76:sc= -1.01 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.768 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.814 USER MOD Single : A 44 THR OG1 : rot -60:sc= 0.13 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN :FLIP amide:sc= -0.691 F(o=-2.2,f=-0.69) USER MOD Single : A 51 THR OG1 : rot 47:sc= 0.386 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 151:sc= -2.93! (180deg=-5.11!) USER MOD Single : A 59 MET CE :methyl 144:sc= -0.77 (180deg=-3.96!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot -55:sc= 0.0996 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0623) USER MOD Single : A 75 ASN : amide:sc= -0.0923 K(o=-0.092,f=-1.9!) USER MOD Single : A 78 ASN : amide:sc= -0.0659 X(o=-0.066,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 MET CE :methyl 145:sc= -0.694 (180deg=-2.14!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN :FLIP amide:sc= -1.26 F(o=-3.3,f=-1.3) USER MOD Single : A 93 ASN : amide:sc= -0.0535 X(o=-0.054,f=-0.033) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl 176:sc= -2.66 (180deg=-2.67) USER MOD Single : A 99 ASN : amide:sc= -4.86! C(o=-4.9!,f=-9!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 MET CE :methyl -165:sc= 0 (180deg=-0.505) USER MOD Single : A 103 THR OG1 : rot 76:sc= 1.21 USER MOD Single : A 105 GLN : amide:sc= -2.51 K(o=-2.5,f=-5.6!) USER MOD Single : A 106 GLN : amide:sc= -1.09 X(o=-1.1,f=-0.64) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 166:sc= -0.503 (180deg=-0.656) USER MOD Single : B 90 TYR OH : rot 180:sc= 0 USER MOD Single : B 92 SER OG : rot 180:sc= 0.0685 USER MOD Single : B 99 THR OG1 : rot 180:sc= 0 USER MOD Single : B 102 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -8.910 14.833 4.000 1.00 0.00 N ATOM 2 CA PRO A 1 -7.874 14.365 4.961 1.00 0.00 C ATOM 3 C PRO A 1 -8.499 13.837 6.253 1.00 0.00 C ATOM 4 O PRO A 1 -8.073 14.192 7.352 1.00 0.00 O ATOM 5 CB PRO A 1 -6.950 15.544 5.251 1.00 0.00 C ATOM 6 CG PRO A 1 -7.596 16.700 4.562 1.00 0.00 C ATOM 7 CD PRO A 1 -8.439 16.117 3.454 1.00 0.00 C ATOM 0 H2 PRO A 1 -9.810 14.947 4.466 1.00 0.00 H new ATOM 0 H3 PRO A 1 -9.045 14.151 3.254 1.00 0.00 H new ATOM 0 HA PRO A 1 -7.316 13.536 4.526 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -6.857 15.722 6.322 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -5.945 15.365 4.869 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -8.210 17.273 5.257 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -6.846 17.382 4.162 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -9.272 16.772 3.200 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -7.857 15.974 2.543 1.00 0.00 H new ATOM 17 N SER A 2 -9.508 12.986 6.110 1.00 0.00 N ATOM 18 CA SER A 2 -10.190 12.408 7.263 1.00 0.00 C ATOM 19 C SER A 2 -9.454 11.174 7.786 1.00 0.00 C ATOM 20 O SER A 2 -9.911 10.523 8.724 1.00 0.00 O ATOM 21 CB SER A 2 -11.628 12.036 6.896 1.00 0.00 C ATOM 22 OG SER A 2 -12.444 13.190 6.801 1.00 0.00 O ATOM 0 H SER A 2 -9.872 12.681 5.208 1.00 0.00 H new ATOM 0 HA SER A 2 -10.200 13.159 8.053 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.638 11.501 5.947 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.035 11.360 7.647 1.00 0.00 H new ATOM 0 HG SER A 2 -13.357 12.926 6.564 1.00 0.00 H new ATOM 28 N HIS A 3 -8.312 10.856 7.178 1.00 0.00 N ATOM 29 CA HIS A 3 -7.524 9.701 7.592 1.00 0.00 C ATOM 30 C HIS A 3 -8.324 8.413 7.438 1.00 0.00 C ATOM 31 O HIS A 3 -8.236 7.512 8.272 1.00 0.00 O ATOM 32 CB HIS A 3 -7.069 9.862 9.043 1.00 0.00 C ATOM 33 CG HIS A 3 -5.810 10.659 9.192 1.00 0.00 C ATOM 34 ND1 HIS A 3 -5.714 11.989 8.837 1.00 0.00 N ATOM 35 CD2 HIS A 3 -4.589 10.309 9.661 1.00 0.00 C ATOM 36 CE1 HIS A 3 -4.489 12.420 9.079 1.00 0.00 C ATOM 37 NE2 HIS A 3 -3.788 11.420 9.581 1.00 0.00 N ATOM 0 H HIS A 3 -7.914 11.382 6.399 1.00 0.00 H new ATOM 0 HA HIS A 3 -6.647 9.641 6.948 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -7.864 10.344 9.613 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -6.918 8.875 9.479 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -4.299 9.336 10.030 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -4.123 13.420 8.897 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -2.809 11.466 9.864 1.00 0.00 H new ATOM 46 N SER A 4 -9.106 8.332 6.366 1.00 0.00 N ATOM 47 CA SER A 4 -9.923 7.151 6.105 1.00 0.00 C ATOM 48 C SER A 4 -10.747 7.317 4.831 1.00 0.00 C ATOM 49 O SER A 4 -11.344 8.368 4.596 1.00 0.00 O ATOM 50 CB SER A 4 -10.853 6.875 7.288 1.00 0.00 C ATOM 51 OG SER A 4 -11.614 8.025 7.618 1.00 0.00 O ATOM 0 H SER A 4 -9.191 9.068 5.665 1.00 0.00 H new ATOM 0 HA SER A 4 -9.249 6.305 5.970 1.00 0.00 H new ATOM 0 HB2 SER A 4 -11.522 6.050 7.044 1.00 0.00 H new ATOM 0 HB3 SER A 4 -10.265 6.564 8.152 1.00 0.00 H new ATOM 0 HG SER A 4 -11.021 8.718 7.975 1.00 0.00 H new ATOM 57 N GLY A 5 -10.781 6.266 4.017 1.00 0.00 N ATOM 58 CA GLY A 5 -11.539 6.297 2.783 1.00 0.00 C ATOM 59 C GLY A 5 -12.074 4.929 2.427 1.00 0.00 C ATOM 60 O GLY A 5 -11.519 3.916 2.847 1.00 0.00 O ATOM 0 H GLY A 5 -10.293 5.388 4.194 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -12.367 6.999 2.881 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -10.906 6.663 1.975 1.00 0.00 H new ATOM 64 N ALA A 6 -13.152 4.890 1.659 1.00 0.00 N ATOM 65 CA ALA A 6 -13.748 3.623 1.264 1.00 0.00 C ATOM 66 C ALA A 6 -12.867 2.904 0.252 1.00 0.00 C ATOM 67 O ALA A 6 -12.812 3.276 -0.920 1.00 0.00 O ATOM 68 CB ALA A 6 -15.142 3.847 0.703 1.00 0.00 C ATOM 0 H ALA A 6 -13.630 5.716 1.299 1.00 0.00 H new ATOM 0 HA ALA A 6 -13.830 2.990 2.148 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -15.575 2.890 0.412 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -15.769 4.313 1.463 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -15.083 4.499 -0.169 1.00 0.00 H new ATOM 74 N ALA A 7 -12.169 1.872 0.720 1.00 0.00 N ATOM 75 CA ALA A 7 -11.278 1.098 -0.137 1.00 0.00 C ATOM 76 C ALA A 7 -11.849 -0.287 -0.417 1.00 0.00 C ATOM 77 O ALA A 7 -12.754 -0.751 0.278 1.00 0.00 O ATOM 78 CB ALA A 7 -9.895 0.993 0.496 1.00 0.00 C ATOM 0 H ALA A 7 -12.204 1.553 1.688 1.00 0.00 H new ATOM 0 HA ALA A 7 -11.187 1.618 -1.090 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.240 0.413 -0.154 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.480 1.992 0.631 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -9.975 0.499 1.464 1.00 0.00 H new ATOM 84 N ILE A 8 -11.321 -0.937 -1.448 1.00 0.00 N ATOM 85 CA ILE A 8 -11.780 -2.264 -1.836 1.00 0.00 C ATOM 86 C ILE A 8 -10.687 -3.310 -1.634 1.00 0.00 C ATOM 87 O ILE A 8 -9.504 -3.033 -1.827 1.00 0.00 O ATOM 88 CB ILE A 8 -12.232 -2.275 -3.309 1.00 0.00 C ATOM 89 CG1 ILE A 8 -13.281 -1.174 -3.529 1.00 0.00 C ATOM 90 CG2 ILE A 8 -12.770 -3.650 -3.698 1.00 0.00 C ATOM 91 CD1 ILE A 8 -14.377 -1.540 -4.503 1.00 0.00 C ATOM 0 H ILE A 8 -10.572 -0.564 -2.032 1.00 0.00 H new ATOM 0 HA ILE A 8 -12.626 -2.515 -1.197 1.00 0.00 H new ATOM 0 HB ILE A 8 -11.376 -2.071 -3.953 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -13.733 -0.924 -2.569 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -12.778 -0.276 -3.888 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -13.084 -3.636 -4.742 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -11.988 -4.398 -3.564 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -13.623 -3.899 -3.066 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -15.073 -0.706 -4.598 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -13.940 -1.761 -5.477 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -14.910 -2.418 -4.138 1.00 0.00 H new ATOM 103 N PHE A 9 -11.096 -4.514 -1.247 1.00 0.00 N ATOM 104 CA PHE A 9 -10.159 -5.605 -1.023 1.00 0.00 C ATOM 105 C PHE A 9 -10.787 -6.935 -1.414 1.00 0.00 C ATOM 106 O PHE A 9 -11.961 -7.178 -1.142 1.00 0.00 O ATOM 107 CB PHE A 9 -9.723 -5.642 0.443 1.00 0.00 C ATOM 108 CG PHE A 9 -8.608 -6.612 0.712 1.00 0.00 C ATOM 109 CD1 PHE A 9 -7.288 -6.247 0.496 1.00 0.00 C ATOM 110 CD2 PHE A 9 -8.879 -7.887 1.181 1.00 0.00 C ATOM 111 CE1 PHE A 9 -6.260 -7.137 0.742 1.00 0.00 C ATOM 112 CE2 PHE A 9 -7.854 -8.782 1.428 1.00 0.00 C ATOM 113 CZ PHE A 9 -6.543 -8.406 1.209 1.00 0.00 C ATOM 0 H PHE A 9 -12.073 -4.757 -1.082 1.00 0.00 H new ATOM 0 HA PHE A 9 -9.281 -5.436 -1.646 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -9.406 -4.644 0.745 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -10.580 -5.905 1.062 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -7.061 -5.256 0.131 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -9.902 -8.185 1.356 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -5.236 -6.841 0.569 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -8.078 -9.774 1.792 1.00 0.00 H new ATOM 0 HZ PHE A 9 -5.741 -9.103 1.402 1.00 0.00 H new ATOM 123 N GLU A 10 -10.008 -7.792 -2.061 1.00 0.00 N ATOM 124 CA GLU A 10 -10.503 -9.093 -2.491 1.00 0.00 C ATOM 125 C GLU A 10 -11.761 -8.944 -3.344 1.00 0.00 C ATOM 126 O GLU A 10 -12.608 -9.836 -3.377 1.00 0.00 O ATOM 127 CB GLU A 10 -10.798 -9.977 -1.278 1.00 0.00 C ATOM 128 CG GLU A 10 -9.605 -10.801 -0.821 1.00 0.00 C ATOM 129 CD GLU A 10 -9.613 -12.204 -1.394 1.00 0.00 C ATOM 130 OE1 GLU A 10 -10.207 -12.402 -2.475 1.00 0.00 O ATOM 131 OE2 GLU A 10 -9.026 -13.107 -0.760 1.00 0.00 O ATOM 0 H GLU A 10 -9.033 -7.610 -2.299 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.729 -9.565 -3.097 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.132 -9.348 -0.453 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -11.622 -10.649 -1.520 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.685 -10.297 -1.117 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -9.602 -10.857 0.268 1.00 0.00 H new ATOM 138 N LYS A 11 -11.872 -7.806 -4.032 1.00 0.00 N ATOM 139 CA LYS A 11 -13.021 -7.520 -4.895 1.00 0.00 C ATOM 140 C LYS A 11 -14.213 -6.990 -4.098 1.00 0.00 C ATOM 141 O LYS A 11 -15.242 -6.639 -4.675 1.00 0.00 O ATOM 142 CB LYS A 11 -13.435 -8.766 -5.688 1.00 0.00 C ATOM 143 CG LYS A 11 -12.258 -9.569 -6.218 1.00 0.00 C ATOM 144 CD LYS A 11 -12.491 -10.025 -7.649 1.00 0.00 C ATOM 145 CE LYS A 11 -11.810 -11.356 -7.927 1.00 0.00 C ATOM 146 NZ LYS A 11 -10.372 -11.183 -8.273 1.00 0.00 N ATOM 0 H LYS A 11 -11.175 -7.062 -4.008 1.00 0.00 H new ATOM 0 HA LYS A 11 -12.709 -6.743 -5.593 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -14.043 -9.407 -5.050 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -14.063 -8.461 -6.525 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -11.353 -8.963 -6.171 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -12.093 -10.438 -5.581 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -13.561 -10.117 -7.833 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -12.113 -9.270 -8.339 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.898 -11.999 -7.051 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -12.322 -11.862 -8.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.944 -12.113 -8.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.288 -10.591 -9.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.877 -10.724 -7.482 1.00 0.00 H new ATOM 160 N VAL A 12 -14.076 -6.922 -2.775 1.00 0.00 N ATOM 161 CA VAL A 12 -15.150 -6.421 -1.929 1.00 0.00 C ATOM 162 C VAL A 12 -14.841 -5.010 -1.448 1.00 0.00 C ATOM 163 O VAL A 12 -13.712 -4.708 -1.060 1.00 0.00 O ATOM 164 CB VAL A 12 -15.403 -7.348 -0.719 1.00 0.00 C ATOM 165 CG1 VAL A 12 -14.242 -7.327 0.266 1.00 0.00 C ATOM 166 CG2 VAL A 12 -16.706 -6.978 -0.027 1.00 0.00 C ATOM 0 H VAL A 12 -13.236 -7.206 -2.271 1.00 0.00 H new ATOM 0 HA VAL A 12 -16.057 -6.401 -2.534 1.00 0.00 H new ATOM 0 HB VAL A 12 -15.486 -8.367 -1.098 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -14.461 -7.992 1.101 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -13.334 -7.661 -0.235 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -14.099 -6.313 0.638 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -16.868 -7.641 0.823 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -16.652 -5.947 0.323 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -17.533 -7.080 -0.730 1.00 0.00 H new ATOM 176 N SER A 13 -15.841 -4.142 -1.487 1.00 0.00 N ATOM 177 CA SER A 13 -15.654 -2.764 -1.061 1.00 0.00 C ATOM 178 C SER A 13 -15.898 -2.615 0.433 1.00 0.00 C ATOM 179 O SER A 13 -16.903 -3.092 0.962 1.00 0.00 O ATOM 180 CB SER A 13 -16.583 -1.830 -1.834 1.00 0.00 C ATOM 181 OG SER A 13 -17.914 -2.314 -1.831 1.00 0.00 O ATOM 0 H SER A 13 -16.783 -4.365 -1.807 1.00 0.00 H new ATOM 0 HA SER A 13 -14.620 -2.490 -1.272 1.00 0.00 H new ATOM 0 HB2 SER A 13 -16.554 -0.835 -1.390 1.00 0.00 H new ATOM 0 HB3 SER A 13 -16.231 -1.731 -2.861 1.00 0.00 H new ATOM 0 HG SER A 13 -18.111 -2.725 -0.963 1.00 0.00 H new ATOM 187 N GLY A 14 -14.972 -1.947 1.105 1.00 0.00 N ATOM 188 CA GLY A 14 -15.097 -1.738 2.532 1.00 0.00 C ATOM 189 C GLY A 14 -14.756 -0.318 2.931 1.00 0.00 C ATOM 190 O GLY A 14 -15.131 0.633 2.246 1.00 0.00 O ATOM 0 H GLY A 14 -14.134 -1.545 0.685 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -16.116 -1.967 2.844 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -14.440 -2.430 3.058 1.00 0.00 H new ATOM 194 N ILE A 15 -14.038 -0.176 4.035 1.00 0.00 N ATOM 195 CA ILE A 15 -13.640 1.138 4.518 1.00 0.00 C ATOM 196 C ILE A 15 -12.209 1.116 5.020 1.00 0.00 C ATOM 197 O ILE A 15 -11.878 0.381 5.946 1.00 0.00 O ATOM 198 CB ILE A 15 -14.547 1.627 5.662 1.00 0.00 C ATOM 199 CG1 ILE A 15 -16.011 1.292 5.366 1.00 0.00 C ATOM 200 CG2 ILE A 15 -14.357 3.123 5.885 1.00 0.00 C ATOM 201 CD1 ILE A 15 -16.635 2.146 4.284 1.00 0.00 C ATOM 0 H ILE A 15 -13.719 -0.954 4.613 1.00 0.00 H new ATOM 0 HA ILE A 15 -13.732 1.821 3.673 1.00 0.00 H new ATOM 0 HB ILE A 15 -14.265 1.110 6.579 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -16.080 0.245 5.072 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -16.591 1.405 6.282 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -15.004 3.455 6.697 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -13.318 3.323 6.145 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -14.613 3.662 4.973 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -17.672 1.845 4.136 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -16.601 3.194 4.582 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -16.083 2.015 3.354 1.00 0.00 H new ATOM 213 N ILE A 16 -11.369 1.937 4.419 1.00 0.00 N ATOM 214 CA ILE A 16 -9.979 2.019 4.820 1.00 0.00 C ATOM 215 C ILE A 16 -9.791 3.189 5.774 1.00 0.00 C ATOM 216 O ILE A 16 -10.124 4.326 5.450 1.00 0.00 O ATOM 217 CB ILE A 16 -9.054 2.143 3.582 1.00 0.00 C ATOM 218 CG1 ILE A 16 -8.389 0.797 3.295 1.00 0.00 C ATOM 219 CG2 ILE A 16 -7.995 3.222 3.752 1.00 0.00 C ATOM 220 CD1 ILE A 16 -7.385 0.840 2.161 1.00 0.00 C ATOM 0 H ILE A 16 -11.626 2.557 3.651 1.00 0.00 H new ATOM 0 HA ILE A 16 -9.702 1.101 5.339 1.00 0.00 H new ATOM 0 HB ILE A 16 -9.678 2.437 2.738 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -7.888 0.450 4.199 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -9.160 0.065 3.057 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -7.375 3.267 2.857 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -8.479 4.186 3.907 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -7.371 2.987 4.614 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -6.956 -0.152 2.017 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -7.884 1.156 1.245 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -6.592 1.547 2.404 1.00 0.00 H new ATOM 232 N ALA A 17 -9.282 2.901 6.959 1.00 0.00 N ATOM 233 CA ALA A 17 -9.081 3.934 7.962 1.00 0.00 C ATOM 234 C ALA A 17 -7.775 3.725 8.719 1.00 0.00 C ATOM 235 O ALA A 17 -7.469 2.618 9.162 1.00 0.00 O ATOM 236 CB ALA A 17 -10.269 3.963 8.914 1.00 0.00 C ATOM 0 H ALA A 17 -9.001 1.965 7.250 1.00 0.00 H new ATOM 0 HA ALA A 17 -9.009 4.898 7.459 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -10.115 4.738 9.664 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -11.179 4.176 8.354 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -10.364 2.995 9.406 1.00 0.00 H new ATOM 242 N ILE A 18 -7.002 4.799 8.854 1.00 0.00 N ATOM 243 CA ILE A 18 -5.720 4.742 9.544 1.00 0.00 C ATOM 244 C ILE A 18 -5.891 4.855 11.056 1.00 0.00 C ATOM 245 O ILE A 18 -6.566 5.758 11.551 1.00 0.00 O ATOM 246 CB ILE A 18 -4.778 5.863 9.060 1.00 0.00 C ATOM 247 CG1 ILE A 18 -4.664 5.839 7.535 1.00 0.00 C ATOM 248 CG2 ILE A 18 -3.403 5.724 9.697 1.00 0.00 C ATOM 249 CD1 ILE A 18 -5.726 6.659 6.836 1.00 0.00 C ATOM 0 H ILE A 18 -7.244 5.722 8.493 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.280 3.773 9.309 1.00 0.00 H new ATOM 0 HB ILE A 18 -5.200 6.821 9.364 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.681 6.211 7.246 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.728 4.807 7.190 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.755 6.525 9.342 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.496 5.787 10.781 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.972 4.761 9.425 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -5.583 6.596 5.757 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.712 6.274 7.095 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.649 7.699 7.152 1.00 0.00 H new ATOM 261 N ASN A 19 -5.267 3.934 11.783 1.00 0.00 N ATOM 262 CA ASN A 19 -5.335 3.925 13.239 1.00 0.00 C ATOM 263 C ASN A 19 -4.124 4.630 13.838 1.00 0.00 C ATOM 264 O ASN A 19 -3.081 4.015 14.059 1.00 0.00 O ATOM 265 CB ASN A 19 -5.413 2.489 13.759 1.00 0.00 C ATOM 266 CG ASN A 19 -6.288 2.366 14.991 1.00 0.00 C ATOM 267 OD1 ASN A 19 -7.238 3.128 15.171 1.00 0.00 O ATOM 268 ND2 ASN A 19 -5.970 1.403 15.849 1.00 0.00 N ATOM 0 H ASN A 19 -4.706 3.181 11.385 1.00 0.00 H new ATOM 0 HA ASN A 19 -6.235 4.460 13.542 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -5.804 1.842 12.974 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -4.409 2.135 13.993 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -6.522 1.273 16.697 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -5.174 0.794 15.660 1.00 0.00 H new ATOM 275 N GLU A 20 -4.270 5.924 14.101 1.00 0.00 N ATOM 276 CA GLU A 20 -3.190 6.714 14.677 1.00 0.00 C ATOM 277 C GLU A 20 -3.330 6.806 16.194 1.00 0.00 C ATOM 278 O GLU A 20 -2.840 7.748 16.816 1.00 0.00 O ATOM 279 CB GLU A 20 -3.173 8.117 14.068 1.00 0.00 C ATOM 280 CG GLU A 20 -2.370 8.212 12.781 1.00 0.00 C ATOM 281 CD GLU A 20 -1.705 9.564 12.607 1.00 0.00 C ATOM 282 OE1 GLU A 20 -1.181 10.101 13.605 1.00 0.00 O ATOM 283 OE2 GLU A 20 -1.709 10.085 11.472 1.00 0.00 O ATOM 0 H GLU A 20 -5.127 6.448 13.924 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.248 6.215 14.447 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -4.198 8.431 13.871 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.760 8.815 14.796 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -1.608 7.433 12.774 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.027 8.022 11.932 1.00 0.00 H new ATOM 290 N ASP A 21 -3.997 5.818 16.781 1.00 0.00 N ATOM 291 CA ASP A 21 -4.196 5.783 18.224 1.00 0.00 C ATOM 292 C ASP A 21 -3.272 4.757 18.878 1.00 0.00 C ATOM 293 O ASP A 21 -3.198 4.671 20.104 1.00 0.00 O ATOM 294 CB ASP A 21 -5.654 5.454 18.550 1.00 0.00 C ATOM 295 CG ASP A 21 -6.161 6.214 19.760 1.00 0.00 C ATOM 296 OD1 ASP A 21 -5.697 5.920 20.882 1.00 0.00 O ATOM 297 OD2 ASP A 21 -7.023 7.101 19.586 1.00 0.00 O ATOM 0 H ASP A 21 -4.409 5.031 16.279 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.954 6.768 18.623 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.278 5.690 17.688 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.751 4.383 18.730 1.00 0.00 H new ATOM 302 N VAL A 22 -2.568 3.981 18.055 1.00 0.00 N ATOM 303 CA VAL A 22 -1.652 2.967 18.566 1.00 0.00 C ATOM 304 C VAL A 22 -0.204 3.427 18.432 1.00 0.00 C ATOM 305 O VAL A 22 0.060 4.549 17.999 1.00 0.00 O ATOM 306 CB VAL A 22 -1.826 1.628 17.822 1.00 0.00 C ATOM 307 CG1 VAL A 22 -3.263 1.140 17.930 1.00 0.00 C ATOM 308 CG2 VAL A 22 -1.410 1.764 16.363 1.00 0.00 C ATOM 0 H VAL A 22 -2.615 4.036 17.038 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.891 2.820 19.619 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.177 0.888 18.291 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.367 0.194 17.399 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.521 0.997 18.979 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.932 1.879 17.489 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.541 0.808 15.857 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.028 2.519 15.877 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.363 2.063 16.309 1.00 0.00 H new ATOM 318 N SER A 23 0.734 2.556 18.792 1.00 0.00 N ATOM 319 CA SER A 23 2.147 2.892 18.688 1.00 0.00 C ATOM 320 C SER A 23 2.522 3.076 17.221 1.00 0.00 C ATOM 321 O SER A 23 2.812 4.191 16.788 1.00 0.00 O ATOM 322 CB SER A 23 3.016 1.818 19.346 1.00 0.00 C ATOM 323 OG SER A 23 3.545 2.275 20.579 1.00 0.00 O ATOM 0 H SER A 23 0.543 1.622 19.155 1.00 0.00 H new ATOM 0 HA SER A 23 2.327 3.827 19.218 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.424 0.918 19.512 1.00 0.00 H new ATOM 0 HB3 SER A 23 3.831 1.544 18.676 1.00 0.00 H new ATOM 0 HG SER A 23 4.095 1.570 20.980 1.00 0.00 H new ATOM 329 N PRO A 24 2.493 1.994 16.416 1.00 0.00 N ATOM 330 CA PRO A 24 2.799 2.069 14.998 1.00 0.00 C ATOM 331 C PRO A 24 1.541 2.329 14.184 1.00 0.00 C ATOM 332 O PRO A 24 0.674 1.464 14.073 1.00 0.00 O ATOM 333 CB PRO A 24 3.334 0.679 14.709 1.00 0.00 C ATOM 334 CG PRO A 24 2.530 -0.213 15.597 1.00 0.00 C ATOM 335 CD PRO A 24 2.135 0.613 16.804 1.00 0.00 C ATOM 0 HA PRO A 24 3.490 2.873 14.745 1.00 0.00 H new ATOM 0 HB2 PRO A 24 3.209 0.414 13.659 1.00 0.00 H new ATOM 0 HB3 PRO A 24 4.399 0.608 14.931 1.00 0.00 H new ATOM 0 HG2 PRO A 24 1.647 -0.583 15.076 1.00 0.00 H new ATOM 0 HG3 PRO A 24 3.111 -1.085 15.898 1.00 0.00 H new ATOM 0 HD2 PRO A 24 1.071 0.521 17.021 1.00 0.00 H new ATOM 0 HD3 PRO A 24 2.671 0.297 17.699 1.00 0.00 H new ATOM 343 N ALA A 25 1.436 3.525 13.626 1.00 0.00 N ATOM 344 CA ALA A 25 0.268 3.893 12.836 1.00 0.00 C ATOM 345 C ALA A 25 -0.058 2.818 11.803 1.00 0.00 C ATOM 346 O ALA A 25 0.726 2.560 10.891 1.00 0.00 O ATOM 347 CB ALA A 25 0.484 5.240 12.164 1.00 0.00 C ATOM 0 H ALA A 25 2.142 4.257 13.704 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.585 3.976 13.510 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.398 5.500 11.578 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.652 6.003 12.924 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.352 5.184 11.508 1.00 0.00 H new ATOM 353 N GLU A 26 -1.216 2.191 11.964 1.00 0.00 N ATOM 354 CA GLU A 26 -1.649 1.134 11.058 1.00 0.00 C ATOM 355 C GLU A 26 -2.838 1.587 10.213 1.00 0.00 C ATOM 356 O GLU A 26 -3.466 2.606 10.499 1.00 0.00 O ATOM 357 CB GLU A 26 -2.030 -0.115 11.855 1.00 0.00 C ATOM 358 CG GLU A 26 -2.981 0.165 13.007 1.00 0.00 C ATOM 359 CD GLU A 26 -3.377 -1.093 13.756 1.00 0.00 C ATOM 360 OE1 GLU A 26 -2.478 -1.898 14.080 1.00 0.00 O ATOM 361 OE2 GLU A 26 -4.584 -1.272 14.018 1.00 0.00 O ATOM 0 H GLU A 26 -1.874 2.397 12.716 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.820 0.901 10.389 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.491 -0.839 11.182 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.124 -0.576 12.247 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.511 0.863 13.700 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.877 0.652 12.623 1.00 0.00 H new ATOM 368 N LEU A 27 -3.146 0.807 9.185 1.00 0.00 N ATOM 369 CA LEU A 27 -4.264 1.091 8.299 1.00 0.00 C ATOM 370 C LEU A 27 -5.282 -0.039 8.411 1.00 0.00 C ATOM 371 O LEU A 27 -5.017 -1.165 7.994 1.00 0.00 O ATOM 372 CB LEU A 27 -3.765 1.223 6.856 1.00 0.00 C ATOM 373 CG LEU A 27 -4.851 1.460 5.802 1.00 0.00 C ATOM 374 CD1 LEU A 27 -4.549 2.716 4.999 1.00 0.00 C ATOM 375 CD2 LEU A 27 -4.973 0.256 4.878 1.00 0.00 C ATOM 0 H LEU A 27 -2.628 -0.038 8.943 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.736 2.031 8.585 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.053 2.047 6.810 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.220 0.316 6.594 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.802 1.598 6.316 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.331 2.869 4.255 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.512 3.576 5.668 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.588 2.605 4.498 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.749 0.444 4.136 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.022 0.087 4.373 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.235 -0.626 5.462 1.00 0.00 H new ATOM 387 N THR A 28 -6.432 0.250 9.012 1.00 0.00 N ATOM 388 CA THR A 28 -7.457 -0.770 9.213 1.00 0.00 C ATOM 389 C THR A 28 -8.591 -0.675 8.197 1.00 0.00 C ATOM 390 O THR A 28 -9.329 0.308 8.159 1.00 0.00 O ATOM 391 CB THR A 28 -8.028 -0.664 10.628 1.00 0.00 C ATOM 392 OG1 THR A 28 -7.018 -0.293 11.549 1.00 0.00 O ATOM 393 CG2 THR A 28 -8.648 -1.953 11.120 1.00 0.00 C ATOM 0 H THR A 28 -6.677 1.175 9.366 1.00 0.00 H new ATOM 0 HA THR A 28 -6.974 -1.737 9.072 1.00 0.00 H new ATOM 0 HB THR A 28 -8.807 0.096 10.570 1.00 0.00 H new ATOM 0 HG1 THR A 28 -7.403 -0.229 12.448 1.00 0.00 H new ATOM 0 HG21 THR A 28 -9.034 -1.809 12.129 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.464 -2.240 10.457 1.00 0.00 H new ATOM 0 HG23 THR A 28 -7.894 -2.740 11.128 1.00 0.00 H new ATOM 401 N TRP A 29 -8.737 -1.727 7.395 1.00 0.00 N ATOM 402 CA TRP A 29 -9.787 -1.798 6.401 1.00 0.00 C ATOM 403 C TRP A 29 -11.004 -2.517 6.972 1.00 0.00 C ATOM 404 O TRP A 29 -10.970 -3.725 7.199 1.00 0.00 O ATOM 405 CB TRP A 29 -9.299 -2.544 5.160 1.00 0.00 C ATOM 406 CG TRP A 29 -10.390 -2.793 4.167 1.00 0.00 C ATOM 407 CD1 TRP A 29 -10.974 -1.865 3.368 1.00 0.00 C ATOM 408 CD2 TRP A 29 -11.040 -4.037 3.888 1.00 0.00 C ATOM 409 NE1 TRP A 29 -11.945 -2.452 2.588 1.00 0.00 N ATOM 410 CE2 TRP A 29 -12.004 -3.788 2.891 1.00 0.00 C ATOM 411 CE3 TRP A 29 -10.898 -5.338 4.378 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -12.822 -4.793 2.380 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -11.711 -6.333 3.871 1.00 0.00 C ATOM 414 CH2 TRP A 29 -12.661 -6.056 2.880 1.00 0.00 C ATOM 0 H TRP A 29 -8.130 -2.547 7.421 1.00 0.00 H new ATOM 0 HA TRP A 29 -10.062 -0.781 6.123 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -8.505 -1.968 4.684 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -8.864 -3.497 5.462 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -10.715 -0.817 3.347 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -12.524 -1.972 1.899 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -10.166 -5.562 5.140 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -13.557 -4.583 1.617 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -11.612 -7.341 4.245 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -13.280 -6.857 2.502 1.00 0.00 H new ATOM 425 N ARG A 30 -12.077 -1.775 7.192 1.00 0.00 N ATOM 426 CA ARG A 30 -13.304 -2.353 7.723 1.00 0.00 C ATOM 427 C ARG A 30 -14.384 -2.364 6.649 1.00 0.00 C ATOM 428 O ARG A 30 -14.799 -1.312 6.165 1.00 0.00 O ATOM 429 CB ARG A 30 -13.783 -1.566 8.944 1.00 0.00 C ATOM 430 CG ARG A 30 -12.785 -1.552 10.089 1.00 0.00 C ATOM 431 CD ARG A 30 -13.357 -0.866 11.318 1.00 0.00 C ATOM 432 NE ARG A 30 -12.345 -0.089 12.033 1.00 0.00 N ATOM 433 CZ ARG A 30 -11.901 1.099 11.630 1.00 0.00 C ATOM 434 NH1 ARG A 30 -12.374 1.650 10.518 1.00 0.00 N ATOM 435 NH2 ARG A 30 -10.980 1.737 12.338 1.00 0.00 N ATOM 0 H ARG A 30 -12.125 -0.772 7.012 1.00 0.00 H new ATOM 0 HA ARG A 30 -13.100 -3.379 8.031 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -13.994 -0.539 8.644 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -14.721 -1.994 9.296 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -12.503 -2.575 10.340 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -11.876 -1.039 9.775 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -14.174 -0.209 11.019 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -13.779 -1.615 11.988 1.00 0.00 H new ATOM 0 HE ARG A 30 -11.957 -0.481 12.891 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -13.081 1.162 9.968 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -12.030 2.561 10.214 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -10.612 1.317 13.192 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -10.640 2.648 12.029 1.00 0.00 H new ATOM 449 N SER A 31 -14.831 -3.559 6.272 1.00 0.00 N ATOM 450 CA SER A 31 -15.856 -3.703 5.241 1.00 0.00 C ATOM 451 C SER A 31 -17.017 -2.741 5.478 1.00 0.00 C ATOM 452 O SER A 31 -17.140 -2.153 6.552 1.00 0.00 O ATOM 453 CB SER A 31 -16.372 -5.141 5.201 1.00 0.00 C ATOM 454 OG SER A 31 -16.736 -5.590 6.496 1.00 0.00 O ATOM 0 H SER A 31 -14.500 -4.441 6.664 1.00 0.00 H new ATOM 0 HA SER A 31 -15.400 -3.459 4.281 1.00 0.00 H new ATOM 0 HB2 SER A 31 -17.233 -5.203 4.536 1.00 0.00 H new ATOM 0 HB3 SER A 31 -15.603 -5.795 4.789 1.00 0.00 H new ATOM 0 HG SER A 31 -15.928 -5.801 7.008 1.00 0.00 H new ATOM 460 N THR A 32 -17.869 -2.593 4.471 1.00 0.00 N ATOM 461 CA THR A 32 -19.019 -1.714 4.566 1.00 0.00 C ATOM 462 C THR A 32 -20.058 -2.330 5.480 1.00 0.00 C ATOM 463 O THR A 32 -20.686 -1.649 6.290 1.00 0.00 O ATOM 464 CB THR A 32 -19.620 -1.473 3.184 1.00 0.00 C ATOM 465 OG1 THR A 32 -18.864 -2.131 2.182 1.00 0.00 O ATOM 466 CG2 THR A 32 -19.698 -0.009 2.812 1.00 0.00 C ATOM 0 H THR A 32 -17.781 -3.075 3.576 1.00 0.00 H new ATOM 0 HA THR A 32 -18.698 -0.757 4.978 1.00 0.00 H new ATOM 0 HB THR A 32 -20.633 -1.873 3.239 1.00 0.00 H new ATOM 0 HG1 THR A 32 -19.268 -1.964 1.305 1.00 0.00 H new ATOM 0 HG21 THR A 32 -20.135 0.091 1.818 1.00 0.00 H new ATOM 0 HG22 THR A 32 -20.319 0.518 3.536 1.00 0.00 H new ATOM 0 HG23 THR A 32 -18.696 0.421 2.813 1.00 0.00 H new ATOM 474 N ASP A 33 -20.223 -3.632 5.334 1.00 0.00 N ATOM 475 CA ASP A 33 -21.179 -4.378 6.134 1.00 0.00 C ATOM 476 C ASP A 33 -20.547 -4.858 7.432 1.00 0.00 C ATOM 477 O ASP A 33 -21.205 -4.927 8.470 1.00 0.00 O ATOM 478 CB ASP A 33 -21.727 -5.566 5.343 1.00 0.00 C ATOM 479 CG ASP A 33 -22.964 -5.206 4.543 1.00 0.00 C ATOM 480 OD1 ASP A 33 -22.930 -4.185 3.825 1.00 0.00 O ATOM 481 OD2 ASP A 33 -23.966 -5.946 4.633 1.00 0.00 O ATOM 0 H ASP A 33 -19.703 -4.199 4.664 1.00 0.00 H new ATOM 0 HA ASP A 33 -22.004 -3.710 6.382 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -20.956 -5.936 4.668 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -21.965 -6.378 6.030 1.00 0.00 H new ATOM 486 N GLY A 34 -19.265 -5.190 7.366 1.00 0.00 N ATOM 487 CA GLY A 34 -18.557 -5.662 8.541 1.00 0.00 C ATOM 488 C GLY A 34 -18.262 -7.147 8.482 1.00 0.00 C ATOM 489 O GLY A 34 -18.087 -7.795 9.514 1.00 0.00 O ATOM 0 H GLY A 34 -18.701 -5.141 6.518 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -17.621 -5.113 8.643 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -19.151 -5.448 9.430 1.00 0.00 H new ATOM 493 N ASP A 35 -18.206 -7.688 7.269 1.00 0.00 N ATOM 494 CA ASP A 35 -17.929 -9.107 7.077 1.00 0.00 C ATOM 495 C ASP A 35 -16.468 -9.337 6.701 1.00 0.00 C ATOM 496 O ASP A 35 -15.959 -10.452 6.812 1.00 0.00 O ATOM 497 CB ASP A 35 -18.844 -9.684 5.996 1.00 0.00 C ATOM 498 CG ASP A 35 -20.204 -10.078 6.539 1.00 0.00 C ATOM 499 OD1 ASP A 35 -21.031 -9.173 6.778 1.00 0.00 O ATOM 500 OD2 ASP A 35 -20.440 -11.289 6.726 1.00 0.00 O ATOM 0 H ASP A 35 -18.349 -7.165 6.405 1.00 0.00 H new ATOM 0 HA ASP A 35 -18.123 -9.618 8.020 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -18.972 -8.948 5.202 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -18.368 -10.556 5.549 1.00 0.00 H new ATOM 505 N LYS A 36 -15.796 -8.279 6.252 1.00 0.00 N ATOM 506 CA LYS A 36 -14.395 -8.378 5.861 1.00 0.00 C ATOM 507 C LYS A 36 -13.559 -7.302 6.540 1.00 0.00 C ATOM 508 O LYS A 36 -13.995 -6.160 6.687 1.00 0.00 O ATOM 509 CB LYS A 36 -14.260 -8.268 4.341 1.00 0.00 C ATOM 510 CG LYS A 36 -15.164 -9.222 3.579 1.00 0.00 C ATOM 511 CD LYS A 36 -14.490 -9.741 2.318 1.00 0.00 C ATOM 512 CE LYS A 36 -13.905 -11.128 2.530 1.00 0.00 C ATOM 513 NZ LYS A 36 -12.719 -11.370 1.663 1.00 0.00 N ATOM 0 H LYS A 36 -16.199 -7.347 6.151 1.00 0.00 H new ATOM 0 HA LYS A 36 -14.023 -9.351 6.182 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -14.487 -7.246 4.038 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -13.224 -8.461 4.062 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -15.433 -10.061 4.221 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -16.091 -8.713 3.314 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -15.214 -9.771 1.503 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -13.699 -9.053 2.017 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -13.620 -11.246 3.576 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -14.667 -11.879 2.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -12.350 -12.327 1.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -12.996 -11.283 0.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.982 -10.670 1.880 1.00 0.00 H new ATOM 527 N VAL A 37 -12.353 -7.676 6.955 1.00 0.00 N ATOM 528 CA VAL A 37 -11.454 -6.746 7.623 1.00 0.00 C ATOM 529 C VAL A 37 -10.000 -7.007 7.222 1.00 0.00 C ATOM 530 O VAL A 37 -9.621 -8.142 6.930 1.00 0.00 O ATOM 531 CB VAL A 37 -11.611 -6.832 9.162 1.00 0.00 C ATOM 532 CG1 VAL A 37 -10.446 -7.570 9.811 1.00 0.00 C ATOM 533 CG2 VAL A 37 -11.768 -5.442 9.755 1.00 0.00 C ATOM 0 H VAL A 37 -11.977 -8.617 6.840 1.00 0.00 H new ATOM 0 HA VAL A 37 -11.723 -5.739 7.306 1.00 0.00 H new ATOM 0 HB VAL A 37 -12.513 -7.407 9.372 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -10.595 -7.608 10.890 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -10.393 -8.585 9.416 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -9.516 -7.046 9.592 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -11.877 -5.518 10.837 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -10.887 -4.845 9.520 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -12.653 -4.964 9.334 1.00 0.00 H new ATOM 543 N HIS A 38 -9.192 -5.951 7.211 1.00 0.00 N ATOM 544 CA HIS A 38 -7.782 -6.069 6.847 1.00 0.00 C ATOM 545 C HIS A 38 -6.979 -4.893 7.392 1.00 0.00 C ATOM 546 O HIS A 38 -7.211 -3.745 7.016 1.00 0.00 O ATOM 547 CB HIS A 38 -7.631 -6.144 5.327 1.00 0.00 C ATOM 548 CG HIS A 38 -6.224 -6.387 4.876 1.00 0.00 C ATOM 549 ND1 HIS A 38 -5.747 -7.636 4.538 1.00 0.00 N ATOM 550 CD2 HIS A 38 -5.187 -5.531 4.707 1.00 0.00 C ATOM 551 CE1 HIS A 38 -4.479 -7.538 4.182 1.00 0.00 C ATOM 552 NE2 HIS A 38 -4.115 -6.272 4.276 1.00 0.00 N ATOM 0 H HIS A 38 -9.488 -5.005 7.450 1.00 0.00 H new ATOM 0 HA HIS A 38 -7.394 -6.986 7.290 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -8.269 -6.941 4.946 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -7.989 -5.213 4.888 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -6.289 -8.500 4.560 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -5.201 -4.465 4.879 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -3.847 -8.355 3.867 1.00 0.00 H new ATOM 561 N THR A 39 -6.037 -5.184 8.285 1.00 0.00 N ATOM 562 CA THR A 39 -5.207 -4.144 8.886 1.00 0.00 C ATOM 563 C THR A 39 -3.798 -4.140 8.294 1.00 0.00 C ATOM 564 O THR A 39 -3.258 -5.186 7.936 1.00 0.00 O ATOM 565 CB THR A 39 -5.132 -4.339 10.400 1.00 0.00 C ATOM 566 OG1 THR A 39 -6.429 -4.458 10.955 1.00 0.00 O ATOM 567 CG2 THR A 39 -4.429 -3.204 11.116 1.00 0.00 C ATOM 0 H THR A 39 -5.830 -6.129 8.608 1.00 0.00 H new ATOM 0 HA THR A 39 -5.670 -3.182 8.666 1.00 0.00 H new ATOM 0 HB THR A 39 -4.555 -5.252 10.545 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.360 -4.584 11.924 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.411 -3.405 12.187 1.00 0.00 H new ATOM 0 HG22 THR A 39 -3.408 -3.117 10.745 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.962 -2.272 10.931 1.00 0.00 H new ATOM 575 N VAL A 40 -3.211 -2.949 8.204 1.00 0.00 N ATOM 576 CA VAL A 40 -1.864 -2.789 7.667 1.00 0.00 C ATOM 577 C VAL A 40 -1.033 -1.897 8.565 1.00 0.00 C ATOM 578 O VAL A 40 -1.497 -0.864 9.030 1.00 0.00 O ATOM 579 CB VAL A 40 -1.885 -2.184 6.250 1.00 0.00 C ATOM 580 CG1 VAL A 40 -0.585 -1.451 5.927 1.00 0.00 C ATOM 581 CG2 VAL A 40 -2.145 -3.272 5.235 1.00 0.00 C ATOM 0 H VAL A 40 -3.651 -2.077 8.498 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.421 -3.784 7.620 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.689 -1.449 6.208 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.640 -1.039 4.919 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.436 -0.642 6.642 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.251 -2.148 5.989 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.159 -2.840 4.234 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.356 -4.022 5.295 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.107 -3.740 5.442 1.00 0.00 H new ATOM 591 N VAL A 41 0.200 -2.288 8.795 1.00 0.00 N ATOM 592 CA VAL A 41 1.079 -1.485 9.628 1.00 0.00 C ATOM 593 C VAL A 41 2.040 -0.661 8.779 1.00 0.00 C ATOM 594 O VAL A 41 2.984 -1.190 8.193 1.00 0.00 O ATOM 595 CB VAL A 41 1.847 -2.343 10.652 1.00 0.00 C ATOM 596 CG1 VAL A 41 2.868 -1.504 11.411 1.00 0.00 C ATOM 597 CG2 VAL A 41 0.863 -2.984 11.615 1.00 0.00 C ATOM 0 H VAL A 41 0.616 -3.143 8.426 1.00 0.00 H new ATOM 0 HA VAL A 41 0.446 -0.798 10.190 1.00 0.00 H new ATOM 0 HB VAL A 41 2.390 -3.124 10.119 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.396 -2.134 12.127 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.583 -1.076 10.708 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.357 -0.701 11.942 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.406 -3.591 12.339 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.306 -2.206 12.138 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.169 -3.616 11.060 1.00 0.00 H new ATOM 607 N LEU A 42 1.780 0.640 8.719 1.00 0.00 N ATOM 608 CA LEU A 42 2.605 1.558 7.943 1.00 0.00 C ATOM 609 C LEU A 42 4.073 1.477 8.363 1.00 0.00 C ATOM 610 O LEU A 42 4.967 1.829 7.593 1.00 0.00 O ATOM 611 CB LEU A 42 2.091 2.991 8.100 1.00 0.00 C ATOM 612 CG LEU A 42 0.814 3.315 7.318 1.00 0.00 C ATOM 613 CD1 LEU A 42 1.039 3.098 5.831 1.00 0.00 C ATOM 614 CD2 LEU A 42 -0.353 2.470 7.814 1.00 0.00 C ATOM 0 H LEU A 42 0.999 1.085 9.202 1.00 0.00 H new ATOM 0 HA LEU A 42 2.538 1.266 6.895 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.908 3.181 9.158 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.876 3.678 7.784 1.00 0.00 H new ATOM 0 HG LEU A 42 0.565 4.363 7.483 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.124 3.332 5.287 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.843 3.748 5.486 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.312 2.058 5.652 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.249 2.717 7.245 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.119 1.414 7.682 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.527 2.674 8.870 1.00 0.00 H new ATOM 626 N SER A 43 4.317 1.012 9.586 1.00 0.00 N ATOM 627 CA SER A 43 5.678 0.888 10.097 1.00 0.00 C ATOM 628 C SER A 43 6.472 -0.138 9.297 1.00 0.00 C ATOM 629 O SER A 43 7.694 -0.044 9.182 1.00 0.00 O ATOM 630 CB SER A 43 5.662 0.501 11.577 1.00 0.00 C ATOM 631 OG SER A 43 4.844 1.383 12.326 1.00 0.00 O ATOM 0 H SER A 43 3.592 0.716 10.239 1.00 0.00 H new ATOM 0 HA SER A 43 6.165 1.857 9.991 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.296 -0.520 11.685 1.00 0.00 H new ATOM 0 HB3 SER A 43 6.678 0.519 11.972 1.00 0.00 H new ATOM 0 HG SER A 43 4.696 2.206 11.814 1.00 0.00 H new ATOM 637 N THR A 44 5.767 -1.113 8.741 1.00 0.00 N ATOM 638 CA THR A 44 6.400 -2.159 7.941 1.00 0.00 C ATOM 639 C THR A 44 6.320 -1.820 6.464 1.00 0.00 C ATOM 640 O THR A 44 7.206 -2.160 5.682 1.00 0.00 O ATOM 641 CB THR A 44 5.734 -3.516 8.194 1.00 0.00 C ATOM 642 OG1 THR A 44 4.644 -3.716 7.310 1.00 0.00 O ATOM 643 CG2 THR A 44 5.208 -3.674 9.602 1.00 0.00 C ATOM 0 H THR A 44 4.755 -1.204 8.828 1.00 0.00 H new ATOM 0 HA THR A 44 7.447 -2.220 8.238 1.00 0.00 H new ATOM 0 HB THR A 44 6.520 -4.253 8.029 1.00 0.00 H new ATOM 0 HG1 THR A 44 3.978 -3.010 7.447 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.750 -4.657 9.711 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.030 -3.576 10.311 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.464 -2.903 9.801 1.00 0.00 H new ATOM 651 N ILE A 45 5.239 -1.149 6.093 1.00 0.00 N ATOM 652 CA ILE A 45 5.014 -0.754 4.707 1.00 0.00 C ATOM 653 C ILE A 45 6.273 -0.151 4.089 1.00 0.00 C ATOM 654 O ILE A 45 6.656 0.976 4.402 1.00 0.00 O ATOM 655 CB ILE A 45 3.846 0.249 4.591 1.00 0.00 C ATOM 656 CG1 ILE A 45 2.537 -0.407 5.042 1.00 0.00 C ATOM 657 CG2 ILE A 45 3.716 0.767 3.165 1.00 0.00 C ATOM 658 CD1 ILE A 45 2.284 -1.759 4.405 1.00 0.00 C ATOM 0 H ILE A 45 4.499 -0.865 6.735 1.00 0.00 H new ATOM 0 HA ILE A 45 4.754 -1.659 4.157 1.00 0.00 H new ATOM 0 HB ILE A 45 4.057 1.097 5.243 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.553 -0.523 6.126 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.707 0.258 4.805 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.887 1.472 3.108 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.639 1.269 2.875 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.529 -0.068 2.490 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.340 -2.163 4.771 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.235 -1.647 3.322 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.095 -2.440 4.663 1.00 0.00 H new ATOM 670 N ASP A 46 6.913 -0.918 3.213 1.00 0.00 N ATOM 671 CA ASP A 46 8.130 -0.474 2.550 1.00 0.00 C ATOM 672 C ASP A 46 7.857 0.712 1.629 1.00 0.00 C ATOM 673 O ASP A 46 8.642 1.657 1.577 1.00 0.00 O ATOM 674 CB ASP A 46 8.745 -1.622 1.747 1.00 0.00 C ATOM 675 CG ASP A 46 10.225 -1.418 1.488 1.00 0.00 C ATOM 676 OD1 ASP A 46 10.651 -0.251 1.370 1.00 0.00 O ATOM 677 OD2 ASP A 46 10.956 -2.428 1.402 1.00 0.00 O ATOM 0 H ASP A 46 6.606 -1.853 2.946 1.00 0.00 H new ATOM 0 HA ASP A 46 8.832 -0.155 3.320 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.599 -2.558 2.286 1.00 0.00 H new ATOM 0 HB3 ASP A 46 8.222 -1.717 0.795 1.00 0.00 H new ATOM 682 N LYS A 47 6.743 0.658 0.902 1.00 0.00 N ATOM 683 CA LYS A 47 6.388 1.735 -0.015 1.00 0.00 C ATOM 684 C LYS A 47 4.881 1.792 -0.247 1.00 0.00 C ATOM 685 O LYS A 47 4.177 0.796 -0.078 1.00 0.00 O ATOM 686 CB LYS A 47 7.106 1.555 -1.355 1.00 0.00 C ATOM 687 CG LYS A 47 8.564 1.144 -1.220 1.00 0.00 C ATOM 688 CD LYS A 47 9.248 1.071 -2.575 1.00 0.00 C ATOM 689 CE LYS A 47 10.237 -0.083 -2.637 1.00 0.00 C ATOM 690 NZ LYS A 47 10.414 -0.590 -4.026 1.00 0.00 N ATOM 0 H LYS A 47 6.077 -0.114 0.930 1.00 0.00 H new ATOM 0 HA LYS A 47 6.703 2.673 0.442 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.579 0.802 -1.941 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.052 2.489 -1.914 1.00 0.00 H new ATOM 0 HG2 LYS A 47 9.087 1.858 -0.585 1.00 0.00 H new ATOM 0 HG3 LYS A 47 8.626 0.174 -0.727 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.498 0.951 -3.357 1.00 0.00 H new ATOM 0 HD3 LYS A 47 9.768 2.008 -2.773 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.200 0.243 -2.244 1.00 0.00 H new ATOM 0 HE3 LYS A 47 9.889 -0.894 -1.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 11.096 -1.376 -4.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.500 -0.925 -4.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.770 0.176 -4.632 1.00 0.00 H new ATOM 704 N LEU A 48 4.402 2.964 -0.644 1.00 0.00 N ATOM 705 CA LEU A 48 2.985 3.165 -0.915 1.00 0.00 C ATOM 706 C LEU A 48 2.763 3.355 -2.411 1.00 0.00 C ATOM 707 O LEU A 48 3.660 3.797 -3.129 1.00 0.00 O ATOM 708 CB LEU A 48 2.468 4.377 -0.127 1.00 0.00 C ATOM 709 CG LEU A 48 1.150 4.994 -0.609 1.00 0.00 C ATOM 710 CD1 LEU A 48 -0.030 4.332 0.083 1.00 0.00 C ATOM 711 CD2 LEU A 48 1.143 6.494 -0.349 1.00 0.00 C ATOM 0 H LEU A 48 4.978 3.794 -0.786 1.00 0.00 H new ATOM 0 HA LEU A 48 2.428 2.284 -0.595 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.345 4.080 0.914 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.235 5.151 -0.149 1.00 0.00 H new ATOM 0 HG LEU A 48 1.060 4.826 -1.682 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.958 4.782 -0.270 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.034 3.266 -0.144 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.054 4.473 1.161 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.201 6.919 -0.696 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.252 6.679 0.720 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.970 6.960 -0.884 1.00 0.00 H new ATOM 723 N GLN A 49 1.569 3.016 -2.875 1.00 0.00 N ATOM 724 CA GLN A 49 1.238 3.148 -4.288 1.00 0.00 C ATOM 725 C GLN A 49 -0.141 3.769 -4.474 1.00 0.00 C ATOM 726 O GLN A 49 -1.029 3.599 -3.638 1.00 0.00 O ATOM 727 CB GLN A 49 1.292 1.781 -4.972 1.00 0.00 C ATOM 728 CG GLN A 49 2.646 1.457 -5.581 1.00 0.00 C ATOM 729 CD GLN A 49 2.919 -0.033 -5.635 1.00 0.00 C ATOM 730 OE1 GLN A 49 2.970 -0.669 -4.469 1.00 0.00 O flip ATOM 731 NE2 GLN A 49 3.082 -0.608 -6.711 1.00 0.00 N flip ATOM 0 H GLN A 49 0.814 2.648 -2.296 1.00 0.00 H new ATOM 0 HA GLN A 49 1.974 3.809 -4.747 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.036 1.010 -4.245 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.534 1.745 -5.754 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.695 1.868 -6.589 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.428 1.945 -4.999 1.00 0.00 H new ATOM 0 HE21 GLN A 49 3.035 -0.081 -7.583 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.264 -1.611 -6.731 1.00 0.00 H new ATOM 740 N ALA A 50 -0.313 4.489 -5.578 1.00 0.00 N ATOM 741 CA ALA A 50 -1.583 5.137 -5.880 1.00 0.00 C ATOM 742 C ALA A 50 -1.676 5.500 -7.357 1.00 0.00 C ATOM 743 O ALA A 50 -0.745 6.068 -7.927 1.00 0.00 O ATOM 744 CB ALA A 50 -1.761 6.377 -5.017 1.00 0.00 C ATOM 0 H ALA A 50 0.413 4.638 -6.279 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.384 4.433 -5.655 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.714 6.851 -5.253 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.748 6.093 -3.965 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.949 7.077 -5.214 1.00 0.00 H new ATOM 750 N THR A 51 -2.806 5.166 -7.971 1.00 0.00 N ATOM 751 CA THR A 51 -3.025 5.455 -9.384 1.00 0.00 C ATOM 752 C THR A 51 -3.548 6.874 -9.580 1.00 0.00 C ATOM 753 O THR A 51 -4.741 7.136 -9.425 1.00 0.00 O ATOM 754 CB THR A 51 -4.010 4.451 -9.984 1.00 0.00 C ATOM 755 OG1 THR A 51 -5.310 4.644 -9.452 1.00 0.00 O ATOM 756 CG2 THR A 51 -3.622 3.010 -9.735 1.00 0.00 C ATOM 0 H THR A 51 -3.585 4.694 -7.512 1.00 0.00 H new ATOM 0 HA THR A 51 -2.067 5.368 -9.896 1.00 0.00 H new ATOM 0 HB THR A 51 -3.991 4.635 -11.058 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.534 5.598 -9.473 1.00 0.00 H new ATOM 0 HG21 THR A 51 -4.363 2.350 -10.187 1.00 0.00 H new ATOM 0 HG22 THR A 51 -2.645 2.815 -10.177 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.578 2.825 -8.662 1.00 0.00 H new ATOM 764 N PRO A 52 -2.656 7.807 -9.946 1.00 0.00 N ATOM 765 CA PRO A 52 -3.007 9.209 -10.193 1.00 0.00 C ATOM 766 C PRO A 52 -4.236 9.350 -11.083 1.00 0.00 C ATOM 767 O PRO A 52 -4.640 8.400 -11.755 1.00 0.00 O ATOM 768 CB PRO A 52 -1.766 9.770 -10.905 1.00 0.00 C ATOM 769 CG PRO A 52 -0.955 8.571 -11.255 1.00 0.00 C ATOM 770 CD PRO A 52 -1.227 7.584 -10.175 1.00 0.00 C ATOM 0 HA PRO A 52 -3.259 9.732 -9.271 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -2.042 10.335 -11.795 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -1.211 10.448 -10.257 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -1.239 8.175 -12.230 1.00 0.00 H new ATOM 0 HG3 PRO A 52 0.106 8.815 -11.307 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -1.014 6.562 -10.487 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -0.632 7.775 -9.282 1.00 0.00 H new ATOM 778 N ALA A 53 -4.822 10.541 -11.090 1.00 0.00 N ATOM 779 CA ALA A 53 -6.001 10.809 -11.904 1.00 0.00 C ATOM 780 C ALA A 53 -5.748 10.494 -13.378 1.00 0.00 C ATOM 781 O ALA A 53 -6.689 10.346 -14.158 1.00 0.00 O ATOM 782 CB ALA A 53 -6.433 12.259 -11.741 1.00 0.00 C ATOM 0 H ALA A 53 -4.500 11.337 -10.540 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.802 10.156 -11.557 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.315 12.447 -12.354 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -6.670 12.453 -10.695 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -5.624 12.917 -12.057 1.00 0.00 H new ATOM 788 N SER A 54 -4.474 10.394 -13.761 1.00 0.00 N ATOM 789 CA SER A 54 -4.117 10.098 -15.143 1.00 0.00 C ATOM 790 C SER A 54 -4.447 8.652 -15.501 1.00 0.00 C ATOM 791 O SER A 54 -4.593 8.311 -16.675 1.00 0.00 O ATOM 792 CB SER A 54 -2.629 10.365 -15.377 1.00 0.00 C ATOM 793 OG SER A 54 -2.371 10.668 -16.737 1.00 0.00 O ATOM 0 H SER A 54 -3.678 10.514 -13.135 1.00 0.00 H new ATOM 0 HA SER A 54 -4.704 10.753 -15.787 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.302 11.194 -14.749 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.049 9.491 -15.080 1.00 0.00 H new ATOM 0 HG SER A 54 -1.413 10.836 -16.859 1.00 0.00 H new ATOM 799 N SER A 55 -4.567 7.807 -14.483 1.00 0.00 N ATOM 800 CA SER A 55 -4.883 6.398 -14.693 1.00 0.00 C ATOM 801 C SER A 55 -6.390 6.169 -14.663 1.00 0.00 C ATOM 802 O SER A 55 -7.061 6.508 -13.689 1.00 0.00 O ATOM 803 CB SER A 55 -4.203 5.538 -13.626 1.00 0.00 C ATOM 804 OG SER A 55 -2.938 5.077 -14.070 1.00 0.00 O ATOM 0 H SER A 55 -4.450 8.072 -13.505 1.00 0.00 H new ATOM 0 HA SER A 55 -4.509 6.109 -15.675 1.00 0.00 H new ATOM 0 HB2 SER A 55 -4.081 6.118 -12.711 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.838 4.687 -13.382 1.00 0.00 H new ATOM 0 HG SER A 55 -2.524 4.531 -13.369 1.00 0.00 H new ATOM 810 N GLU A 56 -6.918 5.592 -15.739 1.00 0.00 N ATOM 811 CA GLU A 56 -8.347 5.320 -15.836 1.00 0.00 C ATOM 812 C GLU A 56 -8.810 4.405 -14.707 1.00 0.00 C ATOM 813 O GLU A 56 -9.982 4.408 -14.332 1.00 0.00 O ATOM 814 CB GLU A 56 -8.677 4.686 -17.189 1.00 0.00 C ATOM 815 CG GLU A 56 -8.906 5.703 -18.296 1.00 0.00 C ATOM 816 CD GLU A 56 -9.580 5.098 -19.511 1.00 0.00 C ATOM 817 OE1 GLU A 56 -10.803 4.850 -19.451 1.00 0.00 O ATOM 818 OE2 GLU A 56 -8.885 4.870 -20.525 1.00 0.00 O ATOM 0 H GLU A 56 -6.377 5.304 -16.555 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.876 6.269 -15.747 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -7.862 4.023 -17.479 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -9.569 4.068 -17.084 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -9.519 6.519 -17.914 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.950 6.134 -18.592 1.00 0.00 H new ATOM 825 N LYS A 57 -7.881 3.624 -14.170 1.00 0.00 N ATOM 826 CA LYS A 57 -8.190 2.702 -13.082 1.00 0.00 C ATOM 827 C LYS A 57 -7.774 3.290 -11.738 1.00 0.00 C ATOM 828 O LYS A 57 -6.682 3.843 -11.602 1.00 0.00 O ATOM 829 CB LYS A 57 -7.489 1.359 -13.302 1.00 0.00 C ATOM 830 CG LYS A 57 -7.421 0.929 -14.761 1.00 0.00 C ATOM 831 CD LYS A 57 -8.784 1.005 -15.431 1.00 0.00 C ATOM 832 CE LYS A 57 -9.793 0.098 -14.745 1.00 0.00 C ATOM 833 NZ LYS A 57 -11.179 0.344 -15.230 1.00 0.00 N ATOM 0 H LYS A 57 -6.906 3.610 -14.470 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.268 2.542 -13.073 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -6.476 1.420 -12.904 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -8.010 0.591 -12.731 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -6.716 1.565 -15.296 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.041 -0.091 -14.823 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -9.144 2.034 -15.410 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -8.692 0.721 -16.479 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.525 -0.943 -14.923 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -9.751 0.258 -13.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -11.837 -0.294 -14.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -11.444 1.331 -15.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -11.225 0.167 -16.254 1.00 0.00 H new ATOM 847 N MET A 58 -8.650 3.169 -10.747 1.00 0.00 N ATOM 848 CA MET A 58 -8.372 3.689 -9.414 1.00 0.00 C ATOM 849 C MET A 58 -8.050 2.556 -8.444 1.00 0.00 C ATOM 850 O MET A 58 -8.940 1.819 -8.020 1.00 0.00 O ATOM 851 CB MET A 58 -9.570 4.489 -8.898 1.00 0.00 C ATOM 852 CG MET A 58 -10.148 5.447 -9.926 1.00 0.00 C ATOM 853 SD MET A 58 -10.721 6.992 -9.192 1.00 0.00 S ATOM 854 CE MET A 58 -9.243 7.526 -8.334 1.00 0.00 C ATOM 0 H MET A 58 -9.559 2.715 -10.842 1.00 0.00 H new ATOM 0 HA MET A 58 -7.504 4.345 -9.480 1.00 0.00 H new ATOM 0 HB2 MET A 58 -10.349 3.796 -8.580 1.00 0.00 H new ATOM 0 HB3 MET A 58 -9.267 5.054 -8.017 1.00 0.00 H new ATOM 0 HG2 MET A 58 -9.391 5.666 -10.679 1.00 0.00 H new ATOM 0 HG3 MET A 58 -10.979 4.964 -10.440 1.00 0.00 H new ATOM 0 HE1 MET A 58 -9.229 8.614 -8.276 1.00 0.00 H new ATOM 0 HE2 MET A 58 -9.236 7.109 -7.327 1.00 0.00 H new ATOM 0 HE3 MET A 58 -8.363 7.180 -8.876 1.00 0.00 H new ATOM 864 N MET A 59 -6.774 2.425 -8.095 1.00 0.00 N ATOM 865 CA MET A 59 -6.335 1.382 -7.173 1.00 0.00 C ATOM 866 C MET A 59 -5.023 1.768 -6.496 1.00 0.00 C ATOM 867 O MET A 59 -4.122 2.312 -7.133 1.00 0.00 O ATOM 868 CB MET A 59 -6.154 0.056 -7.917 1.00 0.00 C ATOM 869 CG MET A 59 -7.458 -0.577 -8.374 1.00 0.00 C ATOM 870 SD MET A 59 -7.871 -0.160 -10.079 1.00 0.00 S ATOM 871 CE MET A 59 -6.391 -0.707 -10.929 1.00 0.00 C ATOM 0 H MET A 59 -6.025 3.028 -8.436 1.00 0.00 H new ATOM 0 HA MET A 59 -7.103 1.267 -6.408 1.00 0.00 H new ATOM 0 HB2 MET A 59 -5.518 0.222 -8.786 1.00 0.00 H new ATOM 0 HB3 MET A 59 -5.629 -0.645 -7.268 1.00 0.00 H new ATOM 0 HG2 MET A 59 -7.386 -1.660 -8.276 1.00 0.00 H new ATOM 0 HG3 MET A 59 -8.265 -0.251 -7.718 1.00 0.00 H new ATOM 0 HE1 MET A 59 -6.661 -1.121 -11.901 1.00 0.00 H new ATOM 0 HE2 MET A 59 -5.718 0.139 -11.069 1.00 0.00 H new ATOM 0 HE3 MET A 59 -5.892 -1.473 -10.335 1.00 0.00 H new ATOM 881 N LEU A 60 -4.921 1.475 -5.204 1.00 0.00 N ATOM 882 CA LEU A 60 -3.714 1.781 -4.444 1.00 0.00 C ATOM 883 C LEU A 60 -3.056 0.500 -3.940 1.00 0.00 C ATOM 884 O LEU A 60 -3.740 -0.436 -3.525 1.00 0.00 O ATOM 885 CB LEU A 60 -4.043 2.695 -3.262 1.00 0.00 C ATOM 886 CG LEU A 60 -4.058 4.193 -3.576 1.00 0.00 C ATOM 887 CD1 LEU A 60 -4.933 4.479 -4.785 1.00 0.00 C ATOM 888 CD2 LEU A 60 -4.538 4.985 -2.368 1.00 0.00 C ATOM 0 H LEU A 60 -5.659 1.026 -4.661 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.018 2.296 -5.107 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.019 2.414 -2.868 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.315 2.514 -2.471 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.040 4.505 -3.811 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.930 5.549 -4.991 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.545 3.942 -5.650 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.953 4.152 -4.582 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.543 6.048 -2.608 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.547 4.669 -2.103 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.869 4.806 -1.526 1.00 0.00 H new ATOM 900 N ARG A 61 -1.728 0.462 -3.976 1.00 0.00 N ATOM 901 CA ARG A 61 -0.986 -0.709 -3.519 1.00 0.00 C ATOM 902 C ARG A 61 -0.158 -0.381 -2.281 1.00 0.00 C ATOM 903 O ARG A 61 0.280 0.755 -2.095 1.00 0.00 O ATOM 904 CB ARG A 61 -0.080 -1.234 -4.635 1.00 0.00 C ATOM 905 CG ARG A 61 -0.738 -2.297 -5.498 1.00 0.00 C ATOM 906 CD ARG A 61 0.224 -2.841 -6.543 1.00 0.00 C ATOM 907 NE ARG A 61 -0.026 -4.249 -6.838 1.00 0.00 N ATOM 908 CZ ARG A 61 0.421 -4.870 -7.926 1.00 0.00 C ATOM 909 NH1 ARG A 61 1.141 -4.210 -8.825 1.00 0.00 N ATOM 910 NH2 ARG A 61 0.147 -6.153 -8.117 1.00 0.00 N ATOM 0 H ARG A 61 -1.144 1.226 -4.316 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.706 -1.483 -3.254 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.224 -0.400 -5.268 1.00 0.00 H new ATOM 0 HB3 ARG A 61 0.827 -1.646 -4.193 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.090 -3.113 -4.867 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.613 -1.875 -5.992 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.132 -2.257 -7.459 1.00 0.00 H new ATOM 0 HD3 ARG A 61 1.248 -2.721 -6.190 1.00 0.00 H new ATOM 0 HE ARG A 61 -0.576 -4.789 -6.170 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.354 -3.223 -8.683 1.00 0.00 H new ATOM 0 HH12 ARG A 61 1.482 -4.690 -9.658 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -0.407 -6.664 -7.430 1.00 0.00 H new ATOM 0 HH22 ARG A 61 0.490 -6.629 -8.951 1.00 0.00 H new ATOM 924 N LEU A 62 0.042 -1.383 -1.430 1.00 0.00 N ATOM 925 CA LEU A 62 0.805 -1.205 -0.200 1.00 0.00 C ATOM 926 C LEU A 62 1.907 -2.254 -0.081 1.00 0.00 C ATOM 927 O LEU A 62 1.632 -3.433 0.138 1.00 0.00 O ATOM 928 CB LEU A 62 -0.136 -1.294 1.009 1.00 0.00 C ATOM 929 CG LEU A 62 0.067 -0.249 2.123 1.00 0.00 C ATOM 930 CD1 LEU A 62 0.950 0.904 1.674 1.00 0.00 C ATOM 931 CD2 LEU A 62 -1.277 0.277 2.594 1.00 0.00 C ATOM 0 H LEU A 62 -0.315 -2.328 -1.571 1.00 0.00 H new ATOM 0 HA LEU A 62 1.275 -0.222 -0.225 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.161 -1.212 0.649 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.031 -2.286 1.449 1.00 0.00 H new ATOM 0 HG LEU A 62 0.576 -0.747 2.949 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.064 1.615 2.492 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.929 0.522 1.386 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.490 1.403 0.821 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.123 1.015 3.381 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.799 0.742 1.758 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.875 -0.548 2.982 1.00 0.00 H new ATOM 943 N ILE A 63 3.154 -1.816 -0.220 1.00 0.00 N ATOM 944 CA ILE A 63 4.295 -2.718 -0.121 1.00 0.00 C ATOM 945 C ILE A 63 4.746 -2.859 1.327 1.00 0.00 C ATOM 946 O ILE A 63 4.843 -1.873 2.054 1.00 0.00 O ATOM 947 CB ILE A 63 5.480 -2.222 -0.977 1.00 0.00 C ATOM 948 CG1 ILE A 63 5.072 -2.147 -2.448 1.00 0.00 C ATOM 949 CG2 ILE A 63 6.687 -3.136 -0.807 1.00 0.00 C ATOM 950 CD1 ILE A 63 4.587 -3.469 -3.000 1.00 0.00 C ATOM 0 H ILE A 63 3.400 -0.843 -0.401 1.00 0.00 H new ATOM 0 HA ILE A 63 3.973 -3.689 -0.497 1.00 0.00 H new ATOM 0 HB ILE A 63 5.757 -1.224 -0.638 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.285 -1.402 -2.562 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.923 -1.805 -3.037 1.00 0.00 H new ATOM 0 HG21 ILE A 63 7.511 -2.768 -1.419 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.990 -3.148 0.240 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.425 -4.147 -1.120 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.313 -3.347 -4.048 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.381 -4.211 -2.916 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.717 -3.802 -2.434 1.00 0.00 H new ATOM 962 N GLY A 64 5.020 -4.093 1.740 1.00 0.00 N ATOM 963 CA GLY A 64 5.456 -4.341 3.104 1.00 0.00 C ATOM 964 C GLY A 64 6.963 -4.462 3.220 1.00 0.00 C ATOM 965 O GLY A 64 7.661 -4.587 2.214 1.00 0.00 O ATOM 0 H GLY A 64 4.948 -4.926 1.155 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.110 -3.531 3.746 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.992 -5.257 3.469 1.00 0.00 H new ATOM 969 N LYS A 65 7.468 -4.425 4.451 1.00 0.00 N ATOM 970 CA LYS A 65 8.904 -4.532 4.689 1.00 0.00 C ATOM 971 C LYS A 65 9.449 -5.844 4.136 1.00 0.00 C ATOM 972 O LYS A 65 8.782 -6.878 4.191 1.00 0.00 O ATOM 973 CB LYS A 65 9.205 -4.430 6.185 1.00 0.00 C ATOM 974 CG LYS A 65 10.479 -3.661 6.497 1.00 0.00 C ATOM 975 CD LYS A 65 10.448 -2.264 5.899 1.00 0.00 C ATOM 976 CE LYS A 65 11.047 -1.238 6.847 1.00 0.00 C ATOM 977 NZ LYS A 65 11.466 0.000 6.133 1.00 0.00 N ATOM 0 H LYS A 65 6.906 -4.322 5.296 1.00 0.00 H new ATOM 0 HA LYS A 65 9.395 -3.708 4.172 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.366 -3.945 6.684 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.286 -5.434 6.601 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.608 -3.593 7.577 1.00 0.00 H new ATOM 0 HG3 LYS A 65 11.339 -4.206 6.107 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.999 -2.257 4.959 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.419 -1.989 5.667 1.00 0.00 H new ATOM 0 HE2 LYS A 65 10.317 -0.984 7.616 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.908 -1.673 7.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.869 0.674 6.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 12.181 -0.238 5.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.640 0.429 5.669 1.00 0.00 H new ATOM 991 N VAL A 66 10.664 -5.796 3.600 1.00 0.00 N ATOM 992 CA VAL A 66 11.302 -6.953 3.036 1.00 0.00 C ATOM 993 C VAL A 66 12.486 -7.370 3.901 1.00 0.00 C ATOM 994 O VAL A 66 12.349 -7.574 5.107 1.00 0.00 O ATOM 995 CB VAL A 66 11.705 -6.652 1.572 1.00 0.00 C ATOM 996 CG1 VAL A 66 12.776 -5.570 1.500 1.00 0.00 C ATOM 997 CG2 VAL A 66 12.138 -7.922 0.851 1.00 0.00 C ATOM 0 H VAL A 66 11.225 -4.946 3.550 1.00 0.00 H new ATOM 0 HA VAL A 66 10.613 -7.797 3.019 1.00 0.00 H new ATOM 0 HB VAL A 66 10.825 -6.267 1.057 1.00 0.00 H new ATOM 0 HG11 VAL A 66 13.035 -5.384 0.458 1.00 0.00 H new ATOM 0 HG12 VAL A 66 12.397 -4.652 1.949 1.00 0.00 H new ATOM 0 HG13 VAL A 66 13.663 -5.899 2.041 1.00 0.00 H new ATOM 0 HG21 VAL A 66 12.416 -7.681 -0.175 1.00 0.00 H new ATOM 0 HG22 VAL A 66 12.994 -8.359 1.365 1.00 0.00 H new ATOM 0 HG23 VAL A 66 11.315 -8.636 0.846 1.00 0.00 H new ATOM 1007 N ASP A 67 13.625 -7.489 3.284 1.00 0.00 N ATOM 1008 CA ASP A 67 14.851 -7.879 3.971 1.00 0.00 C ATOM 1009 C ASP A 67 16.052 -7.120 3.415 1.00 0.00 C ATOM 1010 O ASP A 67 15.906 -6.249 2.557 1.00 0.00 O ATOM 1011 CB ASP A 67 15.082 -9.385 3.838 1.00 0.00 C ATOM 1012 CG ASP A 67 14.526 -10.161 5.015 1.00 0.00 C ATOM 1013 OD1 ASP A 67 15.246 -10.304 6.026 1.00 0.00 O ATOM 1014 OD2 ASP A 67 13.371 -10.628 4.927 1.00 0.00 O ATOM 0 H ASP A 67 13.745 -7.320 2.285 1.00 0.00 H new ATOM 0 HA ASP A 67 14.739 -7.628 5.026 1.00 0.00 H new ATOM 0 HB2 ASP A 67 14.617 -9.741 2.919 1.00 0.00 H new ATOM 0 HB3 ASP A 67 16.151 -9.580 3.750 1.00 0.00 H new ATOM 1019 N GLU A 68 17.238 -7.457 3.909 1.00 0.00 N ATOM 1020 CA GLU A 68 18.466 -6.810 3.462 1.00 0.00 C ATOM 1021 C GLU A 68 19.685 -7.434 4.137 1.00 0.00 C ATOM 1022 O GLU A 68 20.639 -6.738 4.482 1.00 0.00 O ATOM 1023 CB GLU A 68 18.415 -5.310 3.759 1.00 0.00 C ATOM 1024 CG GLU A 68 18.076 -4.987 5.205 1.00 0.00 C ATOM 1025 CD GLU A 68 18.438 -3.566 5.585 1.00 0.00 C ATOM 1026 OE1 GLU A 68 19.514 -3.094 5.161 1.00 0.00 O ATOM 1027 OE2 GLU A 68 17.645 -2.923 6.305 1.00 0.00 O ATOM 0 H GLU A 68 17.375 -8.175 4.620 1.00 0.00 H new ATOM 0 HA GLU A 68 18.554 -6.956 2.385 1.00 0.00 H new ATOM 0 HB2 GLU A 68 19.380 -4.866 3.513 1.00 0.00 H new ATOM 0 HB3 GLU A 68 17.675 -4.844 3.108 1.00 0.00 H new ATOM 0 HG2 GLU A 68 17.009 -5.142 5.368 1.00 0.00 H new ATOM 0 HG3 GLU A 68 18.603 -5.680 5.861 1.00 0.00 H new ATOM 1034 N SER A 69 19.643 -8.749 4.321 1.00 0.00 N ATOM 1035 CA SER A 69 20.743 -9.468 4.954 1.00 0.00 C ATOM 1036 C SER A 69 21.232 -10.607 4.065 1.00 0.00 C ATOM 1037 O SER A 69 21.480 -11.716 4.539 1.00 0.00 O ATOM 1038 CB SER A 69 20.306 -10.016 6.314 1.00 0.00 C ATOM 1039 OG SER A 69 21.425 -10.391 7.098 1.00 0.00 O ATOM 0 H SER A 69 18.859 -9.339 4.041 1.00 0.00 H new ATOM 0 HA SER A 69 21.566 -8.768 5.100 1.00 0.00 H new ATOM 0 HB2 SER A 69 19.724 -9.261 6.843 1.00 0.00 H new ATOM 0 HB3 SER A 69 19.654 -10.878 6.170 1.00 0.00 H new ATOM 0 HG SER A 69 21.978 -11.026 6.596 1.00 0.00 H new ATOM 1045 N LYS A 70 21.367 -10.326 2.773 1.00 0.00 N ATOM 1046 CA LYS A 70 21.825 -11.325 1.812 1.00 0.00 C ATOM 1047 C LYS A 70 20.811 -12.456 1.682 1.00 0.00 C ATOM 1048 O LYS A 70 20.947 -13.502 2.317 1.00 0.00 O ATOM 1049 CB LYS A 70 23.185 -11.886 2.234 1.00 0.00 C ATOM 1050 CG LYS A 70 24.234 -10.816 2.486 1.00 0.00 C ATOM 1051 CD LYS A 70 25.129 -10.616 1.274 1.00 0.00 C ATOM 1052 CE LYS A 70 26.035 -11.815 1.046 1.00 0.00 C ATOM 1053 NZ LYS A 70 27.341 -11.420 0.450 1.00 0.00 N ATOM 0 H LYS A 70 21.165 -9.413 2.366 1.00 0.00 H new ATOM 0 HA LYS A 70 21.928 -10.840 0.841 1.00 0.00 H new ATOM 0 HB2 LYS A 70 23.059 -12.479 3.140 1.00 0.00 H new ATOM 0 HB3 LYS A 70 23.546 -12.561 1.459 1.00 0.00 H new ATOM 0 HG2 LYS A 70 23.743 -9.876 2.736 1.00 0.00 H new ATOM 0 HG3 LYS A 70 24.842 -11.097 3.346 1.00 0.00 H new ATOM 0 HD2 LYS A 70 24.514 -10.450 0.390 1.00 0.00 H new ATOM 0 HD3 LYS A 70 25.736 -9.721 1.412 1.00 0.00 H new ATOM 0 HE2 LYS A 70 26.208 -12.324 1.994 1.00 0.00 H new ATOM 0 HE3 LYS A 70 25.536 -12.527 0.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 27.929 -12.266 0.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 27.178 -10.957 -0.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 27.829 -10.761 1.089 1.00 0.00 H new ATOM 1067 N LYS A 71 19.793 -12.234 0.859 1.00 0.00 N ATOM 1068 CA LYS A 71 18.750 -13.231 0.646 1.00 0.00 C ATOM 1069 C LYS A 71 18.962 -13.972 -0.673 1.00 0.00 C ATOM 1070 O LYS A 71 20.020 -13.861 -1.294 1.00 0.00 O ATOM 1071 CB LYS A 71 17.374 -12.557 0.662 1.00 0.00 C ATOM 1072 CG LYS A 71 16.651 -12.691 1.993 1.00 0.00 C ATOM 1073 CD LYS A 71 16.073 -14.086 2.174 1.00 0.00 C ATOM 1074 CE LYS A 71 16.001 -14.470 3.643 1.00 0.00 C ATOM 1075 NZ LYS A 71 17.328 -14.884 4.175 1.00 0.00 N ATOM 0 H LYS A 71 19.667 -11.372 0.328 1.00 0.00 H new ATOM 0 HA LYS A 71 18.800 -13.961 1.454 1.00 0.00 H new ATOM 0 HB2 LYS A 71 17.493 -11.499 0.427 1.00 0.00 H new ATOM 0 HB3 LYS A 71 16.756 -12.991 -0.124 1.00 0.00 H new ATOM 0 HG2 LYS A 71 17.342 -12.474 2.807 1.00 0.00 H new ATOM 0 HG3 LYS A 71 15.850 -11.954 2.049 1.00 0.00 H new ATOM 0 HD2 LYS A 71 15.076 -14.128 1.736 1.00 0.00 H new ATOM 0 HD3 LYS A 71 16.688 -14.809 1.637 1.00 0.00 H new ATOM 0 HE2 LYS A 71 15.626 -13.625 4.221 1.00 0.00 H new ATOM 0 HE3 LYS A 71 15.289 -15.285 3.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 17.236 -15.138 5.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 17.675 -15.706 3.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 18.002 -14.098 4.077 1.00 0.00 H new ATOM 1089 N ARG A 72 17.949 -14.733 -1.090 1.00 0.00 N ATOM 1090 CA ARG A 72 18.006 -15.505 -2.329 1.00 0.00 C ATOM 1091 C ARG A 72 18.673 -14.722 -3.460 1.00 0.00 C ATOM 1092 O ARG A 72 18.790 -13.499 -3.399 1.00 0.00 O ATOM 1093 CB ARG A 72 16.593 -15.912 -2.746 1.00 0.00 C ATOM 1094 CG ARG A 72 16.452 -17.394 -3.040 1.00 0.00 C ATOM 1095 CD ARG A 72 16.189 -17.650 -4.517 1.00 0.00 C ATOM 1096 NE ARG A 72 14.833 -18.143 -4.753 1.00 0.00 N ATOM 1097 CZ ARG A 72 14.228 -18.109 -5.938 1.00 0.00 C ATOM 1098 NH1 ARG A 72 14.852 -17.605 -6.996 1.00 0.00 N ATOM 1099 NH2 ARG A 72 12.994 -18.578 -6.065 1.00 0.00 N ATOM 0 H ARG A 72 17.071 -14.830 -0.580 1.00 0.00 H new ATOM 0 HA ARG A 72 18.610 -16.392 -2.140 1.00 0.00 H new ATOM 0 HB2 ARG A 72 15.896 -15.639 -1.954 1.00 0.00 H new ATOM 0 HB3 ARG A 72 16.307 -15.345 -3.632 1.00 0.00 H new ATOM 0 HG2 ARG A 72 17.361 -17.914 -2.736 1.00 0.00 H new ATOM 0 HG3 ARG A 72 15.635 -17.807 -2.448 1.00 0.00 H new ATOM 0 HD2 ARG A 72 16.343 -16.728 -5.078 1.00 0.00 H new ATOM 0 HD3 ARG A 72 16.910 -18.376 -4.893 1.00 0.00 H new ATOM 0 HE ARG A 72 14.321 -18.536 -3.963 1.00 0.00 H new ATOM 0 HH11 ARG A 72 15.800 -17.241 -6.903 1.00 0.00 H new ATOM 0 HH12 ARG A 72 14.383 -17.582 -7.902 1.00 0.00 H new ATOM 0 HH21 ARG A 72 12.509 -18.964 -5.255 1.00 0.00 H new ATOM 0 HH22 ARG A 72 12.530 -18.552 -6.973 1.00 0.00 H new ATOM 1113 N LYS A 73 19.104 -15.443 -4.492 1.00 0.00 N ATOM 1114 CA LYS A 73 19.755 -14.826 -5.642 1.00 0.00 C ATOM 1115 C LYS A 73 18.752 -14.589 -6.768 1.00 0.00 C ATOM 1116 O LYS A 73 17.543 -14.696 -6.566 1.00 0.00 O ATOM 1117 CB LYS A 73 20.902 -15.708 -6.138 1.00 0.00 C ATOM 1118 CG LYS A 73 21.809 -16.209 -5.028 1.00 0.00 C ATOM 1119 CD LYS A 73 22.852 -15.171 -4.648 1.00 0.00 C ATOM 1120 CE LYS A 73 24.196 -15.469 -5.295 1.00 0.00 C ATOM 1121 NZ LYS A 73 24.870 -16.638 -4.664 1.00 0.00 N ATOM 0 H LYS A 73 19.013 -16.457 -4.554 1.00 0.00 H new ATOM 0 HA LYS A 73 20.158 -13.863 -5.330 1.00 0.00 H new ATOM 0 HB2 LYS A 73 20.487 -16.564 -6.670 1.00 0.00 H new ATOM 0 HB3 LYS A 73 21.498 -15.145 -6.856 1.00 0.00 H new ATOM 0 HG2 LYS A 73 21.210 -16.461 -4.153 1.00 0.00 H new ATOM 0 HG3 LYS A 73 22.306 -17.125 -5.348 1.00 0.00 H new ATOM 0 HD2 LYS A 73 22.511 -14.182 -4.954 1.00 0.00 H new ATOM 0 HD3 LYS A 73 22.966 -15.148 -3.564 1.00 0.00 H new ATOM 0 HE2 LYS A 73 24.052 -15.663 -6.358 1.00 0.00 H new ATOM 0 HE3 LYS A 73 24.839 -14.593 -5.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 25.866 -16.666 -4.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 24.819 -16.551 -3.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 24.396 -17.514 -4.961 1.00 0.00 H new ATOM 1135 N ASP A 74 19.260 -14.270 -7.956 1.00 0.00 N ATOM 1136 CA ASP A 74 18.402 -14.023 -9.109 1.00 0.00 C ATOM 1137 C ASP A 74 18.517 -15.147 -10.136 1.00 0.00 C ATOM 1138 O ASP A 74 18.179 -14.969 -11.305 1.00 0.00 O ATOM 1139 CB ASP A 74 18.758 -12.684 -9.760 1.00 0.00 C ATOM 1140 CG ASP A 74 17.603 -12.100 -10.548 1.00 0.00 C ATOM 1141 OD1 ASP A 74 16.666 -11.563 -9.920 1.00 0.00 O ATOM 1142 OD2 ASP A 74 17.635 -12.177 -11.794 1.00 0.00 O ATOM 0 H ASP A 74 20.258 -14.177 -8.144 1.00 0.00 H new ATOM 0 HA ASP A 74 17.371 -13.988 -8.756 1.00 0.00 H new ATOM 0 HB2 ASP A 74 19.062 -11.977 -8.988 1.00 0.00 H new ATOM 0 HB3 ASP A 74 19.613 -12.821 -10.422 1.00 0.00 H new ATOM 1147 N ASN A 75 18.989 -16.306 -9.687 1.00 0.00 N ATOM 1148 CA ASN A 75 19.145 -17.470 -10.560 1.00 0.00 C ATOM 1149 C ASN A 75 20.306 -17.297 -11.543 1.00 0.00 C ATOM 1150 O ASN A 75 20.578 -18.188 -12.349 1.00 0.00 O ATOM 1151 CB ASN A 75 17.852 -17.730 -11.335 1.00 0.00 C ATOM 1152 CG ASN A 75 17.741 -19.164 -11.813 1.00 0.00 C ATOM 1153 OD1 ASN A 75 18.498 -20.034 -11.381 1.00 0.00 O ATOM 1154 ND2 ASN A 75 16.795 -19.418 -12.710 1.00 0.00 N ATOM 0 H ASN A 75 19.272 -16.467 -8.720 1.00 0.00 H new ATOM 0 HA ASN A 75 19.369 -18.324 -9.921 1.00 0.00 H new ATOM 0 HB2 ASN A 75 16.998 -17.495 -10.700 1.00 0.00 H new ATOM 0 HB3 ASN A 75 17.805 -17.060 -12.193 1.00 0.00 H new ATOM 0 HD21 ASN A 75 16.673 -20.365 -13.069 1.00 0.00 H new ATOM 0 HD22 ASN A 75 16.190 -18.666 -13.040 1.00 0.00 H new ATOM 1161 N GLU A 76 20.987 -16.156 -11.480 1.00 0.00 N ATOM 1162 CA GLU A 76 22.108 -15.887 -12.370 1.00 0.00 C ATOM 1163 C GLU A 76 23.350 -15.523 -11.575 1.00 0.00 C ATOM 1164 O GLU A 76 24.445 -16.025 -11.832 1.00 0.00 O ATOM 1165 CB GLU A 76 21.760 -14.751 -13.333 1.00 0.00 C ATOM 1166 CG GLU A 76 20.300 -14.732 -13.755 1.00 0.00 C ATOM 1167 CD GLU A 76 20.051 -13.837 -14.953 1.00 0.00 C ATOM 1168 OE1 GLU A 76 19.796 -12.631 -14.750 1.00 0.00 O ATOM 1169 OE2 GLU A 76 20.108 -14.342 -16.094 1.00 0.00 O ATOM 0 H GLU A 76 20.781 -15.405 -10.822 1.00 0.00 H new ATOM 0 HA GLU A 76 22.312 -16.792 -12.943 1.00 0.00 H new ATOM 0 HB2 GLU A 76 22.005 -13.799 -12.861 1.00 0.00 H new ATOM 0 HB3 GLU A 76 22.385 -14.836 -14.222 1.00 0.00 H new ATOM 0 HG2 GLU A 76 19.981 -15.747 -13.992 1.00 0.00 H new ATOM 0 HG3 GLU A 76 19.688 -14.392 -12.919 1.00 0.00 H new ATOM 1176 N GLY A 77 23.162 -14.642 -10.610 1.00 0.00 N ATOM 1177 CA GLY A 77 24.263 -14.202 -9.773 1.00 0.00 C ATOM 1178 C GLY A 77 23.992 -12.863 -9.117 1.00 0.00 C ATOM 1179 O GLY A 77 24.874 -12.007 -9.049 1.00 0.00 O ATOM 0 H GLY A 77 22.261 -14.218 -10.387 1.00 0.00 H new ATOM 0 HA2 GLY A 77 24.451 -14.949 -9.002 1.00 0.00 H new ATOM 0 HA3 GLY A 77 25.168 -14.131 -10.376 1.00 0.00 H new ATOM 1183 N ASN A 78 22.768 -12.681 -8.632 1.00 0.00 N ATOM 1184 CA ASN A 78 22.380 -11.437 -7.978 1.00 0.00 C ATOM 1185 C ASN A 78 21.618 -11.721 -6.688 1.00 0.00 C ATOM 1186 O ASN A 78 20.466 -12.154 -6.718 1.00 0.00 O ATOM 1187 CB ASN A 78 21.521 -10.587 -8.915 1.00 0.00 C ATOM 1188 CG ASN A 78 22.355 -9.687 -9.806 1.00 0.00 C ATOM 1189 OD1 ASN A 78 22.407 -8.474 -9.607 1.00 0.00 O ATOM 1190 ND2 ASN A 78 23.013 -10.280 -10.796 1.00 0.00 N ATOM 0 H ASN A 78 22.027 -13.380 -8.680 1.00 0.00 H new ATOM 0 HA ASN A 78 23.287 -10.885 -7.732 1.00 0.00 H new ATOM 0 HB2 ASN A 78 20.908 -11.241 -9.535 1.00 0.00 H new ATOM 0 HB3 ASN A 78 20.838 -9.977 -8.324 1.00 0.00 H new ATOM 0 HD21 ASN A 78 23.590 -9.726 -11.428 1.00 0.00 H new ATOM 0 HD22 ASN A 78 22.941 -11.289 -10.924 1.00 0.00 H new ATOM 1197 N GLU A 79 22.270 -11.476 -5.556 1.00 0.00 N ATOM 1198 CA GLU A 79 21.657 -11.709 -4.254 1.00 0.00 C ATOM 1199 C GLU A 79 20.425 -10.829 -4.063 1.00 0.00 C ATOM 1200 O GLU A 79 20.498 -9.768 -3.442 1.00 0.00 O ATOM 1201 CB GLU A 79 22.666 -11.440 -3.137 1.00 0.00 C ATOM 1202 CG GLU A 79 23.273 -10.047 -3.186 1.00 0.00 C ATOM 1203 CD GLU A 79 24.745 -10.039 -2.828 1.00 0.00 C ATOM 1204 OE1 GLU A 79 25.518 -10.775 -3.477 1.00 0.00 O ATOM 1205 OE2 GLU A 79 25.126 -9.296 -1.899 1.00 0.00 O ATOM 0 H GLU A 79 23.223 -11.116 -5.514 1.00 0.00 H new ATOM 0 HA GLU A 79 21.345 -12.752 -4.211 1.00 0.00 H new ATOM 0 HB2 GLU A 79 22.175 -11.579 -2.174 1.00 0.00 H new ATOM 0 HB3 GLU A 79 23.466 -12.178 -3.196 1.00 0.00 H new ATOM 0 HG2 GLU A 79 23.144 -9.634 -4.186 1.00 0.00 H new ATOM 0 HG3 GLU A 79 22.733 -9.395 -2.500 1.00 0.00 H new ATOM 1212 N VAL A 80 19.293 -11.280 -4.594 1.00 0.00 N ATOM 1213 CA VAL A 80 18.046 -10.536 -4.477 1.00 0.00 C ATOM 1214 C VAL A 80 17.381 -10.794 -3.129 1.00 0.00 C ATOM 1215 O VAL A 80 17.952 -11.454 -2.261 1.00 0.00 O ATOM 1216 CB VAL A 80 17.059 -10.897 -5.609 1.00 0.00 C ATOM 1217 CG1 VAL A 80 17.739 -10.779 -6.965 1.00 0.00 C ATOM 1218 CG2 VAL A 80 16.489 -12.298 -5.413 1.00 0.00 C ATOM 0 H VAL A 80 19.215 -12.157 -5.109 1.00 0.00 H new ATOM 0 HA VAL A 80 18.299 -9.479 -4.559 1.00 0.00 H new ATOM 0 HB VAL A 80 16.230 -10.190 -5.574 1.00 0.00 H new ATOM 0 HG11 VAL A 80 17.030 -11.037 -7.751 1.00 0.00 H new ATOM 0 HG12 VAL A 80 18.086 -9.756 -7.110 1.00 0.00 H new ATOM 0 HG13 VAL A 80 18.589 -11.460 -7.006 1.00 0.00 H new ATOM 0 HG21 VAL A 80 15.797 -12.526 -6.224 1.00 0.00 H new ATOM 0 HG22 VAL A 80 17.301 -13.025 -5.414 1.00 0.00 H new ATOM 0 HG23 VAL A 80 15.960 -12.346 -4.461 1.00 0.00 H new ATOM 1228 N VAL A 81 16.172 -10.273 -2.964 1.00 0.00 N ATOM 1229 CA VAL A 81 15.428 -10.451 -1.726 1.00 0.00 C ATOM 1230 C VAL A 81 13.984 -10.854 -2.017 1.00 0.00 C ATOM 1231 O VAL A 81 13.350 -10.299 -2.914 1.00 0.00 O ATOM 1232 CB VAL A 81 15.432 -9.165 -0.879 1.00 0.00 C ATOM 1233 CG1 VAL A 81 14.774 -9.408 0.471 1.00 0.00 C ATOM 1234 CG2 VAL A 81 16.853 -8.649 -0.701 1.00 0.00 C ATOM 0 H VAL A 81 15.686 -9.724 -3.673 1.00 0.00 H new ATOM 0 HA VAL A 81 15.922 -11.244 -1.164 1.00 0.00 H new ATOM 0 HB VAL A 81 14.855 -8.405 -1.405 1.00 0.00 H new ATOM 0 HG11 VAL A 81 14.787 -8.487 1.053 1.00 0.00 H new ATOM 0 HG12 VAL A 81 13.743 -9.727 0.321 1.00 0.00 H new ATOM 0 HG13 VAL A 81 15.320 -10.184 1.007 1.00 0.00 H new ATOM 0 HG21 VAL A 81 16.837 -7.740 -0.100 1.00 0.00 H new ATOM 0 HG22 VAL A 81 17.455 -9.406 -0.198 1.00 0.00 H new ATOM 0 HG23 VAL A 81 17.286 -8.431 -1.677 1.00 0.00 H new ATOM 1244 N PRO A 82 13.441 -11.825 -1.262 1.00 0.00 N ATOM 1245 CA PRO A 82 12.069 -12.294 -1.446 1.00 0.00 C ATOM 1246 C PRO A 82 11.080 -11.142 -1.584 1.00 0.00 C ATOM 1247 O PRO A 82 11.006 -10.271 -0.717 1.00 0.00 O ATOM 1248 CB PRO A 82 11.775 -13.108 -0.177 1.00 0.00 C ATOM 1249 CG PRO A 82 12.960 -12.924 0.715 1.00 0.00 C ATOM 1250 CD PRO A 82 14.108 -12.542 -0.173 1.00 0.00 C ATOM 0 HA PRO A 82 11.964 -12.875 -2.362 1.00 0.00 H new ATOM 0 HB2 PRO A 82 10.864 -12.759 0.308 1.00 0.00 H new ATOM 0 HB3 PRO A 82 11.626 -14.161 -0.415 1.00 0.00 H new ATOM 0 HG2 PRO A 82 12.770 -12.149 1.458 1.00 0.00 H new ATOM 0 HG3 PRO A 82 13.181 -13.841 1.261 1.00 0.00 H new ATOM 0 HD2 PRO A 82 14.830 -11.911 0.346 1.00 0.00 H new ATOM 0 HD3 PRO A 82 14.650 -13.416 -0.534 1.00 0.00 H new ATOM 1258 N LYS A 83 10.328 -11.141 -2.682 1.00 0.00 N ATOM 1259 CA LYS A 83 9.341 -10.093 -2.947 1.00 0.00 C ATOM 1260 C LYS A 83 8.580 -9.710 -1.675 1.00 0.00 C ATOM 1261 O LYS A 83 8.070 -10.576 -0.964 1.00 0.00 O ATOM 1262 CB LYS A 83 8.356 -10.557 -4.022 1.00 0.00 C ATOM 1263 CG LYS A 83 8.868 -10.365 -5.440 1.00 0.00 C ATOM 1264 CD LYS A 83 9.461 -11.648 -5.997 1.00 0.00 C ATOM 1265 CE LYS A 83 10.655 -11.366 -6.895 1.00 0.00 C ATOM 1266 NZ LYS A 83 11.414 -12.607 -7.215 1.00 0.00 N ATOM 0 H LYS A 83 10.383 -11.857 -3.407 1.00 0.00 H new ATOM 0 HA LYS A 83 9.876 -9.212 -3.301 1.00 0.00 H new ATOM 0 HB2 LYS A 83 8.131 -11.612 -3.866 1.00 0.00 H new ATOM 0 HB3 LYS A 83 7.420 -10.011 -3.905 1.00 0.00 H new ATOM 0 HG2 LYS A 83 8.051 -10.032 -6.081 1.00 0.00 H new ATOM 0 HG3 LYS A 83 9.623 -9.579 -5.452 1.00 0.00 H new ATOM 0 HD2 LYS A 83 9.767 -12.295 -5.175 1.00 0.00 H new ATOM 0 HD3 LYS A 83 8.700 -12.187 -6.561 1.00 0.00 H new ATOM 0 HE2 LYS A 83 10.312 -10.901 -7.820 1.00 0.00 H new ATOM 0 HE3 LYS A 83 11.317 -10.652 -6.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 12.220 -12.372 -7.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.763 -13.037 -6.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 10.790 -13.279 -7.705 1.00 0.00 H new ATOM 1280 N PRO A 84 8.495 -8.402 -1.369 1.00 0.00 N ATOM 1281 CA PRO A 84 7.796 -7.913 -0.175 1.00 0.00 C ATOM 1282 C PRO A 84 6.289 -8.125 -0.251 1.00 0.00 C ATOM 1283 O PRO A 84 5.653 -7.765 -1.242 1.00 0.00 O ATOM 1284 CB PRO A 84 8.120 -6.420 -0.154 1.00 0.00 C ATOM 1285 CG PRO A 84 8.409 -6.083 -1.570 1.00 0.00 C ATOM 1286 CD PRO A 84 9.073 -7.297 -2.154 1.00 0.00 C ATOM 0 HA PRO A 84 8.113 -8.446 0.722 1.00 0.00 H new ATOM 0 HB2 PRO A 84 7.283 -5.837 0.230 1.00 0.00 H new ATOM 0 HB3 PRO A 84 8.976 -6.208 0.487 1.00 0.00 H new ATOM 0 HG2 PRO A 84 7.493 -5.841 -2.109 1.00 0.00 H new ATOM 0 HG3 PRO A 84 9.059 -5.211 -1.639 1.00 0.00 H new ATOM 0 HD2 PRO A 84 8.858 -7.402 -3.217 1.00 0.00 H new ATOM 0 HD3 PRO A 84 10.157 -7.253 -2.051 1.00 0.00 H new ATOM 1294 N GLN A 85 5.721 -8.702 0.802 1.00 0.00 N ATOM 1295 CA GLN A 85 4.285 -8.949 0.850 1.00 0.00 C ATOM 1296 C GLN A 85 3.517 -7.633 0.811 1.00 0.00 C ATOM 1297 O GLN A 85 3.614 -6.819 1.730 1.00 0.00 O ATOM 1298 CB GLN A 85 3.919 -9.730 2.113 1.00 0.00 C ATOM 1299 CG GLN A 85 4.851 -10.897 2.398 1.00 0.00 C ATOM 1300 CD GLN A 85 4.114 -12.117 2.917 1.00 0.00 C ATOM 1301 OE1 GLN A 85 4.187 -13.196 2.328 1.00 0.00 O ATOM 1302 NE2 GLN A 85 3.400 -11.952 4.023 1.00 0.00 N ATOM 0 H GLN A 85 6.231 -9.007 1.631 1.00 0.00 H new ATOM 0 HA GLN A 85 4.010 -9.542 -0.022 1.00 0.00 H new ATOM 0 HB2 GLN A 85 3.929 -9.051 2.966 1.00 0.00 H new ATOM 0 HB3 GLN A 85 2.900 -10.105 2.016 1.00 0.00 H new ATOM 0 HG2 GLN A 85 5.386 -11.161 1.486 1.00 0.00 H new ATOM 0 HG3 GLN A 85 5.599 -10.590 3.129 1.00 0.00 H new ATOM 0 HE21 GLN A 85 3.368 -11.040 4.478 1.00 0.00 H new ATOM 0 HE22 GLN A 85 2.883 -12.737 4.418 1.00 0.00 H new ATOM 1311 N ARG A 86 2.763 -7.424 -0.262 1.00 0.00 N ATOM 1312 CA ARG A 86 1.989 -6.200 -0.423 1.00 0.00 C ATOM 1313 C ARG A 86 0.494 -6.493 -0.473 1.00 0.00 C ATOM 1314 O ARG A 86 0.078 -7.626 -0.716 1.00 0.00 O ATOM 1315 CB ARG A 86 2.418 -5.470 -1.696 1.00 0.00 C ATOM 1316 CG ARG A 86 2.210 -6.285 -2.963 1.00 0.00 C ATOM 1317 CD ARG A 86 3.416 -6.207 -3.884 1.00 0.00 C ATOM 1318 NE ARG A 86 3.682 -7.481 -4.548 1.00 0.00 N ATOM 1319 CZ ARG A 86 2.954 -7.959 -5.554 1.00 0.00 C ATOM 1320 NH1 ARG A 86 1.916 -7.274 -6.016 1.00 0.00 N ATOM 1321 NH2 ARG A 86 3.266 -9.126 -6.101 1.00 0.00 N ATOM 0 H ARG A 86 2.671 -8.086 -1.033 1.00 0.00 H new ATOM 0 HA ARG A 86 2.183 -5.565 0.441 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.858 -4.538 -1.777 1.00 0.00 H new ATOM 0 HB3 ARG A 86 3.472 -5.203 -1.614 1.00 0.00 H new ATOM 0 HG2 ARG A 86 2.020 -7.325 -2.700 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.326 -5.922 -3.488 1.00 0.00 H new ATOM 0 HD2 ARG A 86 3.249 -5.435 -4.635 1.00 0.00 H new ATOM 0 HD3 ARG A 86 4.292 -5.908 -3.309 1.00 0.00 H new ATOM 0 HE ARG A 86 4.472 -8.037 -4.221 1.00 0.00 H new ATOM 0 HH11 ARG A 86 1.672 -6.375 -5.600 1.00 0.00 H new ATOM 0 HH12 ARG A 86 1.362 -7.646 -6.787 1.00 0.00 H new ATOM 0 HH21 ARG A 86 4.064 -9.657 -5.751 1.00 0.00 H new ATOM 0 HH22 ARG A 86 2.708 -9.493 -6.872 1.00 0.00 H new ATOM 1335 N HIS A 87 -0.311 -5.460 -0.244 1.00 0.00 N ATOM 1336 CA HIS A 87 -1.763 -5.597 -0.266 1.00 0.00 C ATOM 1337 C HIS A 87 -2.362 -4.776 -1.402 1.00 0.00 C ATOM 1338 O HIS A 87 -2.127 -3.571 -1.500 1.00 0.00 O ATOM 1339 CB HIS A 87 -2.363 -5.153 1.071 1.00 0.00 C ATOM 1340 CG HIS A 87 -1.566 -5.584 2.262 1.00 0.00 C ATOM 1341 ND1 HIS A 87 -1.552 -6.882 2.729 1.00 0.00 N ATOM 1342 CD2 HIS A 87 -0.752 -4.882 3.086 1.00 0.00 C ATOM 1343 CE1 HIS A 87 -0.764 -6.960 3.787 1.00 0.00 C ATOM 1344 NE2 HIS A 87 -0.267 -5.760 4.024 1.00 0.00 N ATOM 0 H HIS A 87 0.019 -4.517 -0.041 1.00 0.00 H new ATOM 0 HA HIS A 87 -2.003 -6.648 -0.429 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -2.450 -4.066 1.077 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -3.373 -5.554 1.157 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -0.526 -3.828 3.018 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -0.561 -7.853 4.360 1.00 0.00 H new ATOM 0 HE2 HIS A 87 0.374 -5.523 4.781 1.00 0.00 H new ATOM 1353 N MET A 88 -3.133 -5.433 -2.260 1.00 0.00 N ATOM 1354 CA MET A 88 -3.761 -4.759 -3.390 1.00 0.00 C ATOM 1355 C MET A 88 -5.106 -4.161 -2.992 1.00 0.00 C ATOM 1356 O MET A 88 -6.070 -4.886 -2.746 1.00 0.00 O ATOM 1357 CB MET A 88 -3.949 -5.736 -4.553 1.00 0.00 C ATOM 1358 CG MET A 88 -4.565 -5.100 -5.789 1.00 0.00 C ATOM 1359 SD MET A 88 -4.220 -6.030 -7.294 1.00 0.00 S ATOM 1360 CE MET A 88 -3.015 -4.965 -8.082 1.00 0.00 C ATOM 0 H MET A 88 -3.338 -6.430 -2.195 1.00 0.00 H new ATOM 0 HA MET A 88 -3.104 -3.949 -3.706 1.00 0.00 H new ATOM 0 HB2 MET A 88 -2.982 -6.163 -4.818 1.00 0.00 H new ATOM 0 HB3 MET A 88 -4.582 -6.561 -4.225 1.00 0.00 H new ATOM 0 HG2 MET A 88 -5.644 -5.023 -5.654 1.00 0.00 H new ATOM 0 HG3 MET A 88 -4.184 -4.085 -5.899 1.00 0.00 H new ATOM 0 HE1 MET A 88 -2.281 -5.574 -8.610 1.00 0.00 H new ATOM 0 HE2 MET A 88 -3.519 -4.308 -8.791 1.00 0.00 H new ATOM 0 HE3 MET A 88 -2.511 -4.364 -7.325 1.00 0.00 H new ATOM 1370 N PHE A 89 -5.165 -2.835 -2.934 1.00 0.00 N ATOM 1371 CA PHE A 89 -6.392 -2.139 -2.571 1.00 0.00 C ATOM 1372 C PHE A 89 -6.943 -1.363 -3.761 1.00 0.00 C ATOM 1373 O PHE A 89 -6.209 -0.642 -4.438 1.00 0.00 O ATOM 1374 CB PHE A 89 -6.137 -1.187 -1.400 1.00 0.00 C ATOM 1375 CG PHE A 89 -5.686 -1.885 -0.147 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -6.492 -2.834 0.461 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -4.458 -1.589 0.422 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -6.080 -3.476 1.613 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -4.041 -2.228 1.575 1.00 0.00 C ATOM 1380 CZ PHE A 89 -4.853 -3.173 2.171 1.00 0.00 C ATOM 0 H PHE A 89 -4.376 -2.221 -3.134 1.00 0.00 H new ATOM 0 HA PHE A 89 -7.129 -2.883 -2.269 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.381 -0.458 -1.693 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -7.051 -0.631 -1.188 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.453 -3.074 0.030 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.819 -0.851 -0.040 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -6.717 -4.214 2.077 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.082 -1.988 2.009 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.529 -3.674 3.071 1.00 0.00 H new ATOM 1390 N SER A 90 -8.239 -1.509 -4.008 1.00 0.00 N ATOM 1391 CA SER A 90 -8.887 -0.819 -5.117 1.00 0.00 C ATOM 1392 C SER A 90 -9.796 0.287 -4.598 1.00 0.00 C ATOM 1393 O SER A 90 -10.650 0.053 -3.744 1.00 0.00 O ATOM 1394 CB SER A 90 -9.688 -1.811 -5.967 1.00 0.00 C ATOM 1395 OG SER A 90 -10.738 -1.160 -6.664 1.00 0.00 O ATOM 0 H SER A 90 -8.862 -2.099 -3.456 1.00 0.00 H new ATOM 0 HA SER A 90 -8.116 -0.369 -5.742 1.00 0.00 H new ATOM 0 HB2 SER A 90 -9.025 -2.302 -6.679 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.101 -2.591 -5.327 1.00 0.00 H new ATOM 0 HG SER A 90 -11.231 -1.816 -7.199 1.00 0.00 H new ATOM 1401 N PHE A 91 -9.600 1.496 -5.109 1.00 0.00 N ATOM 1402 CA PHE A 91 -10.397 2.642 -4.688 1.00 0.00 C ATOM 1403 C PHE A 91 -11.550 2.893 -5.653 1.00 0.00 C ATOM 1404 O PHE A 91 -11.415 2.710 -6.862 1.00 0.00 O ATOM 1405 CB PHE A 91 -9.515 3.885 -4.583 1.00 0.00 C ATOM 1406 CG PHE A 91 -8.658 3.903 -3.351 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -7.932 2.782 -2.979 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -8.580 5.038 -2.563 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -7.146 2.793 -1.844 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -7.798 5.056 -1.426 1.00 0.00 C ATOM 1411 CZ PHE A 91 -7.078 3.933 -1.065 1.00 0.00 C ATOM 0 H PHE A 91 -8.896 1.709 -5.816 1.00 0.00 H new ATOM 0 HA PHE A 91 -10.819 2.421 -3.708 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -8.875 3.943 -5.463 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -10.148 4.773 -4.590 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -7.982 1.889 -3.585 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -9.138 5.920 -2.841 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.585 1.913 -1.565 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -7.749 5.948 -0.818 1.00 0.00 H new ATOM 0 HZ PHE A 91 -6.464 3.946 -0.177 1.00 0.00 H new ATOM 1421 N ASN A 92 -12.688 3.313 -5.106 1.00 0.00 N ATOM 1422 CA ASN A 92 -13.871 3.586 -5.916 1.00 0.00 C ATOM 1423 C ASN A 92 -14.224 5.071 -5.904 1.00 0.00 C ATOM 1424 O ASN A 92 -14.909 5.560 -6.802 1.00 0.00 O ATOM 1425 CB ASN A 92 -15.058 2.763 -5.414 1.00 0.00 C ATOM 1426 CG ASN A 92 -15.185 1.434 -6.131 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -14.075 0.711 -6.239 1.00 0.00 O flip ATOM 1428 ND2 ASN A 92 -16.267 1.059 -6.583 1.00 0.00 N flip ATOM 0 H ASN A 92 -12.815 3.471 -4.106 1.00 0.00 H new ATOM 0 HA ASN A 92 -13.644 3.301 -6.943 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -14.947 2.586 -4.344 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -15.976 3.335 -5.549 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -17.095 1.646 -6.478 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -16.336 0.161 -7.063 1.00 0.00 H new ATOM 1435 N ASN A 93 -13.758 5.784 -4.884 1.00 0.00 N ATOM 1436 CA ASN A 93 -14.033 7.212 -4.768 1.00 0.00 C ATOM 1437 C ASN A 93 -12.850 8.035 -5.267 1.00 0.00 C ATOM 1438 O ASN A 93 -11.713 7.563 -5.281 1.00 0.00 O ATOM 1439 CB ASN A 93 -14.358 7.575 -3.317 1.00 0.00 C ATOM 1440 CG ASN A 93 -15.779 8.075 -3.151 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -16.737 7.316 -3.299 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -15.923 9.357 -2.842 1.00 0.00 N ATOM 0 H ASN A 93 -13.191 5.399 -4.129 1.00 0.00 H new ATOM 0 HA ASN A 93 -14.897 7.444 -5.390 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -14.207 6.701 -2.684 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -13.664 8.341 -2.973 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -16.856 9.750 -2.718 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -15.101 9.950 -2.729 1.00 0.00 H new ATOM 1449 N ARG A 94 -13.127 9.269 -5.677 1.00 0.00 N ATOM 1450 CA ARG A 94 -12.088 10.161 -6.179 1.00 0.00 C ATOM 1451 C ARG A 94 -11.517 11.020 -5.058 1.00 0.00 C ATOM 1452 O ARG A 94 -10.333 11.360 -5.062 1.00 0.00 O ATOM 1453 CB ARG A 94 -12.641 11.060 -7.287 1.00 0.00 C ATOM 1454 CG ARG A 94 -14.012 11.642 -6.977 1.00 0.00 C ATOM 1455 CD ARG A 94 -14.427 12.676 -8.012 1.00 0.00 C ATOM 1456 NE ARG A 94 -13.553 13.848 -8.002 1.00 0.00 N ATOM 1457 CZ ARG A 94 -12.439 13.953 -8.723 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -12.046 12.957 -9.508 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -11.710 15.060 -8.657 1.00 0.00 N ATOM 0 H ARG A 94 -14.063 9.674 -5.671 1.00 0.00 H new ATOM 0 HA ARG A 94 -11.288 9.543 -6.587 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -11.941 11.877 -7.463 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -12.701 10.486 -8.212 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -14.750 10.840 -6.946 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -13.998 12.101 -5.988 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -14.412 12.222 -9.003 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -15.453 12.988 -7.820 1.00 0.00 H new ATOM 0 HE ARG A 94 -13.813 14.634 -7.406 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -12.599 12.102 -9.562 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -11.191 13.047 -10.057 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -12.004 15.829 -8.054 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -10.856 15.142 -9.209 1.00 0.00 H new ATOM 1473 N THR A 95 -12.366 11.371 -4.100 1.00 0.00 N ATOM 1474 CA THR A 95 -11.949 12.192 -2.972 1.00 0.00 C ATOM 1475 C THR A 95 -11.291 11.342 -1.887 1.00 0.00 C ATOM 1476 O THR A 95 -10.409 11.814 -1.169 1.00 0.00 O ATOM 1477 CB THR A 95 -13.152 12.961 -2.419 1.00 0.00 C ATOM 1478 OG1 THR A 95 -13.134 14.303 -2.870 1.00 0.00 O ATOM 1479 CG2 THR A 95 -13.225 12.991 -0.909 1.00 0.00 C ATOM 0 H THR A 95 -13.349 11.099 -4.083 1.00 0.00 H new ATOM 0 HA THR A 95 -11.205 12.910 -3.317 1.00 0.00 H new ATOM 0 HB THR A 95 -14.023 12.421 -2.789 1.00 0.00 H new ATOM 0 HG1 THR A 95 -13.910 14.780 -2.509 1.00 0.00 H new ATOM 0 HG21 THR A 95 -14.105 13.555 -0.598 1.00 0.00 H new ATOM 0 HG22 THR A 95 -13.293 11.972 -0.528 1.00 0.00 H new ATOM 0 HG23 THR A 95 -12.329 13.468 -0.511 1.00 0.00 H new ATOM 1487 N VAL A 96 -11.725 10.091 -1.767 1.00 0.00 N ATOM 1488 CA VAL A 96 -11.174 9.190 -0.763 1.00 0.00 C ATOM 1489 C VAL A 96 -9.698 8.909 -1.029 1.00 0.00 C ATOM 1490 O VAL A 96 -8.870 8.984 -0.120 1.00 0.00 O ATOM 1491 CB VAL A 96 -11.954 7.859 -0.700 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -13.436 8.120 -0.485 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -11.731 7.034 -1.959 1.00 0.00 C ATOM 0 H VAL A 96 -12.454 9.680 -2.351 1.00 0.00 H new ATOM 0 HA VAL A 96 -11.272 9.691 0.200 1.00 0.00 H new ATOM 0 HB VAL A 96 -11.577 7.286 0.147 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -13.970 7.171 -0.443 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -13.578 8.658 0.452 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -13.823 8.718 -1.310 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -12.292 6.102 -1.887 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -12.072 7.597 -2.828 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -10.669 6.811 -2.065 1.00 0.00 H new ATOM 1503 N MET A 97 -9.372 8.599 -2.278 1.00 0.00 N ATOM 1504 CA MET A 97 -7.990 8.323 -2.655 1.00 0.00 C ATOM 1505 C MET A 97 -7.114 9.536 -2.381 1.00 0.00 C ATOM 1506 O MET A 97 -5.928 9.411 -2.078 1.00 0.00 O ATOM 1507 CB MET A 97 -7.901 7.944 -4.133 1.00 0.00 C ATOM 1508 CG MET A 97 -8.763 8.808 -5.039 1.00 0.00 C ATOM 1509 SD MET A 97 -7.822 9.582 -6.369 1.00 0.00 S ATOM 1510 CE MET A 97 -6.602 10.499 -5.434 1.00 0.00 C ATOM 0 H MET A 97 -10.042 8.532 -3.044 1.00 0.00 H new ATOM 0 HA MET A 97 -7.635 7.485 -2.055 1.00 0.00 H new ATOM 0 HB2 MET A 97 -6.863 8.018 -4.456 1.00 0.00 H new ATOM 0 HB3 MET A 97 -8.198 6.902 -4.250 1.00 0.00 H new ATOM 0 HG2 MET A 97 -9.556 8.197 -5.469 1.00 0.00 H new ATOM 0 HG3 MET A 97 -9.246 9.583 -4.443 1.00 0.00 H new ATOM 0 HE1 MET A 97 -5.901 10.975 -6.119 1.00 0.00 H new ATOM 0 HE2 MET A 97 -7.100 11.262 -4.836 1.00 0.00 H new ATOM 0 HE3 MET A 97 -6.061 9.819 -4.776 1.00 0.00 H new ATOM 1520 N ASP A 98 -7.716 10.710 -2.497 1.00 0.00 N ATOM 1521 CA ASP A 98 -7.012 11.965 -2.269 1.00 0.00 C ATOM 1522 C ASP A 98 -6.522 12.070 -0.827 1.00 0.00 C ATOM 1523 O ASP A 98 -5.409 12.532 -0.578 1.00 0.00 O ATOM 1524 CB ASP A 98 -7.922 13.149 -2.596 1.00 0.00 C ATOM 1525 CG ASP A 98 -7.150 14.445 -2.753 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -6.167 14.644 -2.008 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -7.528 15.260 -3.619 1.00 0.00 O ATOM 0 H ASP A 98 -8.698 10.821 -2.750 1.00 0.00 H new ATOM 0 HA ASP A 98 -6.143 11.986 -2.927 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -8.468 12.941 -3.516 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -8.663 13.264 -1.805 1.00 0.00 H new ATOM 1532 N ASN A 99 -7.355 11.646 0.121 1.00 0.00 N ATOM 1533 CA ASN A 99 -6.986 11.709 1.531 1.00 0.00 C ATOM 1534 C ASN A 99 -6.110 10.523 1.928 1.00 0.00 C ATOM 1535 O ASN A 99 -5.232 10.647 2.780 1.00 0.00 O ATOM 1536 CB ASN A 99 -8.238 11.768 2.415 1.00 0.00 C ATOM 1537 CG ASN A 99 -8.993 10.453 2.462 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -8.437 9.415 2.820 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -10.272 10.493 2.107 1.00 0.00 N ATOM 0 H ASN A 99 -8.281 11.259 -0.060 1.00 0.00 H new ATOM 0 HA ASN A 99 -6.408 12.621 1.683 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -7.948 12.051 3.427 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -8.902 12.549 2.044 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -10.833 9.641 2.125 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -10.693 11.375 1.817 1.00 0.00 H new ATOM 1546 N ILE A 100 -6.352 9.376 1.305 1.00 0.00 N ATOM 1547 CA ILE A 100 -5.584 8.171 1.599 1.00 0.00 C ATOM 1548 C ILE A 100 -4.150 8.293 1.091 1.00 0.00 C ATOM 1549 O ILE A 100 -3.197 8.164 1.858 1.00 0.00 O ATOM 1550 CB ILE A 100 -6.239 6.922 0.972 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -7.634 6.704 1.564 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -5.366 5.690 1.186 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -7.613 6.245 3.003 1.00 0.00 C ATOM 0 H ILE A 100 -7.073 9.254 0.594 1.00 0.00 H new ATOM 0 HA ILE A 100 -5.571 8.060 2.683 1.00 0.00 H new ATOM 0 HB ILE A 100 -6.338 7.084 -0.101 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -8.198 7.634 1.496 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -8.164 5.965 0.963 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.846 4.821 0.736 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -4.393 5.848 0.721 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -5.234 5.519 2.254 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -8.635 6.111 3.357 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -7.077 5.299 3.075 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.112 6.994 3.616 1.00 0.00 H new ATOM 1565 N LYS A 101 -4.006 8.533 -0.207 1.00 0.00 N ATOM 1566 CA LYS A 101 -2.689 8.661 -0.823 1.00 0.00 C ATOM 1567 C LYS A 101 -1.828 9.691 -0.097 1.00 0.00 C ATOM 1568 O LYS A 101 -0.613 9.530 0.011 1.00 0.00 O ATOM 1569 CB LYS A 101 -2.832 9.052 -2.296 1.00 0.00 C ATOM 1570 CG LYS A 101 -1.506 9.157 -3.028 1.00 0.00 C ATOM 1571 CD LYS A 101 -1.011 10.593 -3.083 1.00 0.00 C ATOM 1572 CE LYS A 101 -1.823 11.424 -4.064 1.00 0.00 C ATOM 1573 NZ LYS A 101 -1.126 12.688 -4.432 1.00 0.00 N ATOM 0 H LYS A 101 -4.786 8.643 -0.855 1.00 0.00 H new ATOM 0 HA LYS A 101 -2.193 7.693 -0.749 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -3.458 8.316 -2.800 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -3.350 10.009 -2.361 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -0.764 8.534 -2.529 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.617 8.770 -4.041 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -1.071 11.038 -2.090 1.00 0.00 H new ATOM 0 HD3 LYS A 101 0.039 10.606 -3.375 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -2.014 10.839 -4.964 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -2.793 11.659 -3.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -1.712 13.225 -5.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -0.967 13.258 -3.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -0.212 12.464 -4.874 1.00 0.00 H new ATOM 1587 N MET A 102 -2.460 10.755 0.390 1.00 0.00 N ATOM 1588 CA MET A 102 -1.743 11.815 1.092 1.00 0.00 C ATOM 1589 C MET A 102 -1.527 11.475 2.562 1.00 0.00 C ATOM 1590 O MET A 102 -0.475 11.766 3.132 1.00 0.00 O ATOM 1591 CB MET A 102 -2.499 13.139 0.969 1.00 0.00 C ATOM 1592 CG MET A 102 -3.814 13.165 1.732 1.00 0.00 C ATOM 1593 SD MET A 102 -4.743 14.687 1.460 1.00 0.00 S ATOM 1594 CE MET A 102 -4.039 15.744 2.722 1.00 0.00 C ATOM 0 H MET A 102 -3.466 10.906 0.312 1.00 0.00 H new ATOM 0 HA MET A 102 -0.763 11.912 0.624 1.00 0.00 H new ATOM 0 HB2 MET A 102 -1.862 13.946 1.332 1.00 0.00 H new ATOM 0 HB3 MET A 102 -2.696 13.338 -0.084 1.00 0.00 H new ATOM 0 HG2 MET A 102 -4.423 12.313 1.429 1.00 0.00 H new ATOM 0 HG3 MET A 102 -3.614 13.051 2.797 1.00 0.00 H new ATOM 0 HE1 MET A 102 -4.677 16.616 2.863 1.00 0.00 H new ATOM 0 HE2 MET A 102 -3.966 15.192 3.659 1.00 0.00 H new ATOM 0 HE3 MET A 102 -3.045 16.068 2.413 1.00 0.00 H new ATOM 1604 N THR A 103 -2.535 10.875 3.170 1.00 0.00 N ATOM 1605 CA THR A 103 -2.471 10.508 4.582 1.00 0.00 C ATOM 1606 C THR A 103 -1.570 9.299 4.808 1.00 0.00 C ATOM 1607 O THR A 103 -0.880 9.217 5.825 1.00 0.00 O ATOM 1608 CB THR A 103 -3.875 10.232 5.125 1.00 0.00 C ATOM 1609 OG1 THR A 103 -4.679 11.396 5.045 1.00 0.00 O ATOM 1610 CG2 THR A 103 -3.884 9.771 6.568 1.00 0.00 C ATOM 0 H THR A 103 -3.412 10.629 2.710 1.00 0.00 H new ATOM 0 HA THR A 103 -2.039 11.350 5.123 1.00 0.00 H new ATOM 0 HB THR A 103 -4.271 9.430 4.502 1.00 0.00 H new ATOM 0 HG1 THR A 103 -4.968 11.531 4.118 1.00 0.00 H new ATOM 0 HG21 THR A 103 -4.911 9.594 6.887 1.00 0.00 H new ATOM 0 HG22 THR A 103 -3.312 8.848 6.659 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.436 10.539 7.198 1.00 0.00 H new ATOM 1618 N LEU A 104 -1.572 8.363 3.868 1.00 0.00 N ATOM 1619 CA LEU A 104 -0.740 7.177 3.998 1.00 0.00 C ATOM 1620 C LEU A 104 0.729 7.570 3.986 1.00 0.00 C ATOM 1621 O LEU A 104 1.449 7.336 4.956 1.00 0.00 O ATOM 1622 CB LEU A 104 -1.042 6.174 2.882 1.00 0.00 C ATOM 1623 CG LEU A 104 -1.923 4.993 3.299 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -3.206 5.488 3.948 1.00 0.00 C ATOM 1625 CD2 LEU A 104 -2.238 4.108 2.101 1.00 0.00 C ATOM 0 H LEU A 104 -2.134 8.401 3.017 1.00 0.00 H new ATOM 0 HA LEU A 104 -0.966 6.695 4.949 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.530 6.701 2.062 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.099 5.787 2.496 1.00 0.00 H new ATOM 0 HG LEU A 104 -1.374 4.398 4.029 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -3.820 4.635 4.238 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.963 6.077 4.832 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.757 6.107 3.240 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -2.865 3.275 2.419 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -2.765 4.691 1.346 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -1.310 3.723 1.679 1.00 0.00 H new ATOM 1637 N GLN A 105 1.163 8.193 2.894 1.00 0.00 N ATOM 1638 CA GLN A 105 2.547 8.642 2.774 1.00 0.00 C ATOM 1639 C GLN A 105 2.923 9.520 3.963 1.00 0.00 C ATOM 1640 O GLN A 105 4.093 9.611 4.335 1.00 0.00 O ATOM 1641 CB GLN A 105 2.753 9.407 1.466 1.00 0.00 C ATOM 1642 CG GLN A 105 1.839 10.612 1.312 1.00 0.00 C ATOM 1643 CD GLN A 105 1.898 11.210 -0.079 1.00 0.00 C ATOM 1644 OE1 GLN A 105 0.875 11.362 -0.747 1.00 0.00 O ATOM 1645 NE2 GLN A 105 3.101 11.552 -0.524 1.00 0.00 N ATOM 0 H GLN A 105 0.580 8.398 2.083 1.00 0.00 H new ATOM 0 HA GLN A 105 3.194 7.765 2.767 1.00 0.00 H new ATOM 0 HB2 GLN A 105 3.790 9.739 1.409 1.00 0.00 H new ATOM 0 HB3 GLN A 105 2.589 8.728 0.629 1.00 0.00 H new ATOM 0 HG2 GLN A 105 0.813 10.317 1.534 1.00 0.00 H new ATOM 0 HG3 GLN A 105 2.118 11.371 2.043 1.00 0.00 H new ATOM 0 HE21 GLN A 105 3.922 11.408 0.064 1.00 0.00 H new ATOM 0 HE22 GLN A 105 3.204 11.959 -1.454 1.00 0.00 H new ATOM 1654 N GLN A 106 1.918 10.152 4.566 1.00 0.00 N ATOM 1655 CA GLN A 106 2.145 11.005 5.724 1.00 0.00 C ATOM 1656 C GLN A 106 2.682 10.173 6.878 1.00 0.00 C ATOM 1657 O GLN A 106 3.534 10.620 7.646 1.00 0.00 O ATOM 1658 CB GLN A 106 0.851 11.714 6.135 1.00 0.00 C ATOM 1659 CG GLN A 106 0.819 13.187 5.761 1.00 0.00 C ATOM 1660 CD GLN A 106 2.036 13.943 6.255 1.00 0.00 C ATOM 1661 OE1 GLN A 106 2.077 14.399 7.398 1.00 0.00 O ATOM 1662 NE2 GLN A 106 3.038 14.079 5.393 1.00 0.00 N ATOM 0 H GLN A 106 0.944 10.088 4.271 1.00 0.00 H new ATOM 0 HA GLN A 106 2.880 11.766 5.461 1.00 0.00 H new ATOM 0 HB2 GLN A 106 0.006 11.210 5.666 1.00 0.00 H new ATOM 0 HB3 GLN A 106 0.721 11.619 7.213 1.00 0.00 H new ATOM 0 HG2 GLN A 106 0.753 13.281 4.677 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -0.080 13.643 6.175 1.00 0.00 H new ATOM 0 HE21 GLN A 106 2.961 13.685 4.455 1.00 0.00 H new ATOM 0 HE22 GLN A 106 3.884 14.578 5.669 1.00 0.00 H new ATOM 1671 N ILE A 107 2.190 8.946 6.969 1.00 0.00 N ATOM 1672 CA ILE A 107 2.626 8.016 8.002 1.00 0.00 C ATOM 1673 C ILE A 107 3.954 7.387 7.595 1.00 0.00 C ATOM 1674 O ILE A 107 4.828 7.142 8.425 1.00 0.00 O ATOM 1675 CB ILE A 107 1.578 6.909 8.234 1.00 0.00 C ATOM 1676 CG1 ILE A 107 0.285 7.507 8.792 1.00 0.00 C ATOM 1677 CG2 ILE A 107 2.123 5.843 9.174 1.00 0.00 C ATOM 1678 CD1 ILE A 107 -0.965 6.961 8.136 1.00 0.00 C ATOM 0 H ILE A 107 1.484 8.569 6.336 1.00 0.00 H new ATOM 0 HA ILE A 107 2.748 8.571 8.932 1.00 0.00 H new ATOM 0 HB ILE A 107 1.356 6.439 7.276 1.00 0.00 H new ATOM 0 HG12 ILE A 107 0.237 7.314 9.864 1.00 0.00 H new ATOM 0 HG13 ILE A 107 0.310 8.589 8.664 1.00 0.00 H new ATOM 0 HG21 ILE A 107 1.369 5.071 9.325 1.00 0.00 H new ATOM 0 HG22 ILE A 107 3.017 5.397 8.739 1.00 0.00 H new ATOM 0 HG23 ILE A 107 2.374 6.297 10.133 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -1.843 7.429 8.581 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -0.940 7.178 7.068 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.013 5.882 8.286 1.00 0.00 H new ATOM 1690 N ILE A 108 4.089 7.144 6.298 1.00 0.00 N ATOM 1691 CA ILE A 108 5.300 6.563 5.735 1.00 0.00 C ATOM 1692 C ILE A 108 6.503 7.441 6.041 1.00 0.00 C ATOM 1693 O ILE A 108 7.466 7.008 6.674 1.00 0.00 O ATOM 1694 CB ILE A 108 5.174 6.420 4.208 1.00 0.00 C ATOM 1695 CG1 ILE A 108 3.880 5.696 3.855 1.00 0.00 C ATOM 1696 CG2 ILE A 108 6.375 5.695 3.628 1.00 0.00 C ATOM 1697 CD1 ILE A 108 3.746 5.369 2.383 1.00 0.00 C ATOM 0 H ILE A 108 3.364 7.343 5.609 1.00 0.00 H new ATOM 0 HA ILE A 108 5.436 5.580 6.185 1.00 0.00 H new ATOM 0 HB ILE A 108 5.146 7.417 3.769 1.00 0.00 H new ATOM 0 HG12 ILE A 108 3.823 4.772 4.430 1.00 0.00 H new ATOM 0 HG13 ILE A 108 3.035 6.313 4.159 1.00 0.00 H new ATOM 0 HG21 ILE A 108 6.260 5.608 2.548 1.00 0.00 H new ATOM 0 HG22 ILE A 108 7.282 6.256 3.852 1.00 0.00 H new ATOM 0 HG23 ILE A 108 6.446 4.700 4.067 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.801 4.855 2.209 1.00 0.00 H new ATOM 0 HD12 ILE A 108 3.770 6.291 1.802 1.00 0.00 H new ATOM 0 HD13 ILE A 108 4.571 4.726 2.077 1.00 0.00 H new ATOM 1709 N SER A 109 6.430 8.683 5.582 1.00 0.00 N ATOM 1710 CA SER A 109 7.504 9.650 5.794 1.00 0.00 C ATOM 1711 C SER A 109 7.861 9.763 7.274 1.00 0.00 C ATOM 1712 O SER A 109 8.979 10.139 7.626 1.00 0.00 O ATOM 1713 CB SER A 109 7.100 11.021 5.249 1.00 0.00 C ATOM 1714 OG SER A 109 7.380 11.121 3.863 1.00 0.00 O ATOM 0 H SER A 109 5.635 9.048 5.058 1.00 0.00 H new ATOM 0 HA SER A 109 8.384 9.296 5.256 1.00 0.00 H new ATOM 0 HB2 SER A 109 6.036 11.185 5.421 1.00 0.00 H new ATOM 0 HB3 SER A 109 7.635 11.803 5.789 1.00 0.00 H new ATOM 0 HG SER A 109 7.111 12.006 3.538 1.00 0.00 H new ATOM 1720 N ARG A 110 6.905 9.432 8.134 1.00 0.00 N ATOM 1721 CA ARG A 110 7.116 9.490 9.577 1.00 0.00 C ATOM 1722 C ARG A 110 8.307 8.625 9.979 1.00 0.00 C ATOM 1723 O ARG A 110 9.200 9.070 10.701 1.00 0.00 O ATOM 1724 CB ARG A 110 5.842 9.046 10.311 1.00 0.00 C ATOM 1725 CG ARG A 110 5.955 7.714 11.042 1.00 0.00 C ATOM 1726 CD ARG A 110 4.667 7.369 11.774 1.00 0.00 C ATOM 1727 NE ARG A 110 4.587 8.019 13.080 1.00 0.00 N ATOM 1728 CZ ARG A 110 5.389 7.730 14.102 1.00 0.00 C ATOM 1729 NH1 ARG A 110 6.330 6.802 13.975 1.00 0.00 N ATOM 1730 NH2 ARG A 110 5.249 8.369 15.256 1.00 0.00 N ATOM 0 H ARG A 110 5.974 9.120 7.857 1.00 0.00 H new ATOM 0 HA ARG A 110 7.338 10.519 9.861 1.00 0.00 H new ATOM 0 HB2 ARG A 110 5.567 9.817 11.031 1.00 0.00 H new ATOM 0 HB3 ARG A 110 5.028 8.980 9.589 1.00 0.00 H new ATOM 0 HG2 ARG A 110 6.192 6.925 10.328 1.00 0.00 H new ATOM 0 HG3 ARG A 110 6.779 7.757 11.754 1.00 0.00 H new ATOM 0 HD2 ARG A 110 3.813 7.670 11.167 1.00 0.00 H new ATOM 0 HD3 ARG A 110 4.602 6.289 11.902 1.00 0.00 H new ATOM 0 HE ARG A 110 3.875 8.736 13.216 1.00 0.00 H new ATOM 0 HH11 ARG A 110 6.441 6.306 13.091 1.00 0.00 H new ATOM 0 HH12 ARG A 110 6.942 6.585 14.762 1.00 0.00 H new ATOM 0 HH21 ARG A 110 4.527 9.082 15.360 1.00 0.00 H new ATOM 0 HH22 ARG A 110 5.864 8.148 16.039 1.00 0.00 H new ATOM 1744 N TYR A 111 8.311 7.389 9.496 1.00 0.00 N ATOM 1745 CA TYR A 111 9.390 6.456 9.793 1.00 0.00 C ATOM 1746 C TYR A 111 10.654 6.833 9.029 1.00 0.00 C ATOM 1747 O TYR A 111 11.766 6.514 9.450 1.00 0.00 O ATOM 1748 CB TYR A 111 8.977 5.027 9.432 1.00 0.00 C ATOM 1749 CG TYR A 111 7.581 4.661 9.880 1.00 0.00 C ATOM 1750 CD1 TYR A 111 7.274 4.541 11.229 1.00 0.00 C ATOM 1751 CD2 TYR A 111 6.571 4.431 8.954 1.00 0.00 C ATOM 1752 CE1 TYR A 111 5.999 4.201 11.643 1.00 0.00 C ATOM 1753 CE2 TYR A 111 5.295 4.093 9.358 1.00 0.00 C ATOM 1754 CZ TYR A 111 5.014 3.978 10.704 1.00 0.00 C ATOM 1755 OH TYR A 111 3.744 3.639 11.115 1.00 0.00 O ATOM 0 H TYR A 111 7.578 7.009 8.896 1.00 0.00 H new ATOM 0 HA TYR A 111 9.596 6.508 10.862 1.00 0.00 H new ATOM 0 HB2 TYR A 111 9.046 4.901 8.351 1.00 0.00 H new ATOM 0 HB3 TYR A 111 9.686 4.330 9.880 1.00 0.00 H new ATOM 0 HD1 TYR A 111 8.043 4.716 11.967 1.00 0.00 H new ATOM 0 HD2 TYR A 111 6.788 4.518 7.900 1.00 0.00 H new ATOM 0 HE1 TYR A 111 5.776 4.111 12.696 1.00 0.00 H new ATOM 0 HE2 TYR A 111 4.521 3.920 8.625 1.00 0.00 H new ATOM 0 HH TYR A 111 3.381 4.354 11.679 1.00 0.00 H new ATOM 1765 N LYS A 112 10.475 7.513 7.900 1.00 0.00 N ATOM 1766 CA LYS A 112 11.598 7.931 7.072 1.00 0.00 C ATOM 1767 C LYS A 112 12.593 8.763 7.875 1.00 0.00 C ATOM 1768 O LYS A 112 13.742 8.363 8.065 1.00 0.00 O ATOM 1769 CB LYS A 112 11.099 8.734 5.868 1.00 0.00 C ATOM 1770 CG LYS A 112 12.059 8.720 4.688 1.00 0.00 C ATOM 1771 CD LYS A 112 11.314 8.626 3.365 1.00 0.00 C ATOM 1772 CE LYS A 112 11.045 7.179 2.979 1.00 0.00 C ATOM 1773 NZ LYS A 112 9.644 6.776 3.283 1.00 0.00 N ATOM 0 H LYS A 112 9.561 7.786 7.539 1.00 0.00 H new ATOM 0 HA LYS A 112 12.107 7.034 6.719 1.00 0.00 H new ATOM 0 HB2 LYS A 112 10.137 8.334 5.548 1.00 0.00 H new ATOM 0 HB3 LYS A 112 10.929 9.766 6.175 1.00 0.00 H new ATOM 0 HG2 LYS A 112 12.667 9.625 4.701 1.00 0.00 H new ATOM 0 HG3 LYS A 112 12.742 7.876 4.783 1.00 0.00 H new ATOM 0 HD2 LYS A 112 10.370 9.166 3.439 1.00 0.00 H new ATOM 0 HD3 LYS A 112 11.898 9.110 2.582 1.00 0.00 H new ATOM 0 HE2 LYS A 112 11.239 7.045 1.915 1.00 0.00 H new ATOM 0 HE3 LYS A 112 11.735 6.526 3.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 9.428 5.881 2.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 9.534 6.651 4.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 8.991 7.515 2.952 1.00 0.00 H new ATOM 1787 N ASP A 113 12.145 9.923 8.344 1.00 0.00 N ATOM 1788 CA ASP A 113 12.996 10.813 9.127 1.00 0.00 C ATOM 1789 C ASP A 113 13.515 10.110 10.378 1.00 0.00 C ATOM 1790 O ASP A 113 14.612 10.401 10.855 1.00 0.00 O ATOM 1791 CB ASP A 113 12.226 12.075 9.519 1.00 0.00 C ATOM 1792 CG ASP A 113 12.317 13.159 8.463 1.00 0.00 C ATOM 1793 OD1 ASP A 113 13.433 13.667 8.229 1.00 0.00 O ATOM 1794 OD2 ASP A 113 11.271 13.499 7.870 1.00 0.00 O ATOM 0 H ASP A 113 11.197 10.269 8.196 1.00 0.00 H new ATOM 0 HA ASP A 113 13.850 11.094 8.510 1.00 0.00 H new ATOM 0 HB2 ASP A 113 11.179 11.821 9.686 1.00 0.00 H new ATOM 0 HB3 ASP A 113 12.616 12.457 10.462 1.00 0.00 H new ATOM 1799 N ALA A 114 12.719 9.185 10.905 1.00 0.00 N ATOM 1800 CA ALA A 114 13.099 8.442 12.099 1.00 0.00 C ATOM 1801 C ALA A 114 14.207 7.440 11.794 1.00 0.00 C ATOM 1802 O ALA A 114 15.325 7.565 12.295 1.00 0.00 O ATOM 1803 CB ALA A 114 11.888 7.730 12.684 1.00 0.00 C ATOM 0 H ALA A 114 11.807 8.933 10.523 1.00 0.00 H new ATOM 0 HA ALA A 114 13.480 9.152 12.833 1.00 0.00 H new ATOM 0 HB1 ALA A 114 12.186 7.179 13.576 1.00 0.00 H new ATOM 0 HB2 ALA A 114 11.127 8.464 12.949 1.00 0.00 H new ATOM 0 HB3 ALA A 114 11.483 7.037 11.947 1.00 0.00 H new ATOM 1809 N ASP A 115 13.891 6.446 10.971 1.00 0.00 N ATOM 1810 CA ASP A 115 14.860 5.422 10.599 1.00 0.00 C ATOM 1811 C ASP A 115 16.065 6.043 9.900 1.00 0.00 C ATOM 1812 O ASP A 115 17.080 5.334 9.731 1.00 0.00 O ATOM 1813 CB ASP A 115 14.207 4.381 9.689 1.00 0.00 C ATOM 1814 CG ASP A 115 13.363 3.386 10.461 1.00 0.00 C ATOM 1815 OD1 ASP A 115 12.971 3.702 11.604 1.00 0.00 O ATOM 1816 OD2 ASP A 115 13.092 2.292 9.922 1.00 0.00 O ATOM 0 H ASP A 115 12.970 6.328 10.548 1.00 0.00 H new ATOM 0 HA ASP A 115 15.204 4.933 11.510 1.00 0.00 H new ATOM 0 HB2 ASP A 115 13.584 4.887 8.952 1.00 0.00 H new ATOM 0 HB3 ASP A 115 14.981 3.847 9.139 1.00 0.00 H new TER 1821 ASP A 115 ATOM 1822 N TYR B 90 1.685 -2.349 -21.834 1.00 0.00 N ATOM 1823 CA TYR B 90 2.336 -2.561 -20.515 1.00 0.00 C ATOM 1824 C TYR B 90 1.308 -2.575 -19.389 1.00 0.00 C ATOM 1825 O TYR B 90 0.446 -1.700 -19.311 1.00 0.00 O ATOM 1826 CB TYR B 90 3.353 -1.441 -20.288 1.00 0.00 C ATOM 1827 CG TYR B 90 4.322 -1.260 -21.435 1.00 0.00 C ATOM 1828 CD1 TYR B 90 5.259 -2.240 -21.738 1.00 0.00 C ATOM 1829 CD2 TYR B 90 4.299 -0.110 -22.214 1.00 0.00 C ATOM 1830 CE1 TYR B 90 6.147 -2.077 -22.785 1.00 0.00 C ATOM 1831 CE2 TYR B 90 5.183 0.059 -23.262 1.00 0.00 C ATOM 1832 CZ TYR B 90 6.105 -0.927 -23.544 1.00 0.00 C ATOM 1833 OH TYR B 90 6.986 -0.762 -24.587 1.00 0.00 O ATOM 0 HA TYR B 90 2.837 -3.529 -20.514 1.00 0.00 H new ATOM 0 HB2 TYR B 90 2.819 -0.505 -20.123 1.00 0.00 H new ATOM 0 HB3 TYR B 90 3.915 -1.651 -19.378 1.00 0.00 H new ATOM 0 HD1 TYR B 90 5.294 -3.143 -21.147 1.00 0.00 H new ATOM 0 HD2 TYR B 90 3.578 0.664 -21.997 1.00 0.00 H new ATOM 0 HE1 TYR B 90 6.871 -2.847 -23.007 1.00 0.00 H new ATOM 0 HE2 TYR B 90 5.152 0.959 -23.858 1.00 0.00 H new ATOM 0 HH TYR B 90 6.822 0.102 -25.020 1.00 0.00 H new ATOM 1843 N ASP B 91 1.406 -3.574 -18.517 1.00 0.00 N ATOM 1844 CA ASP B 91 0.485 -3.701 -17.394 1.00 0.00 C ATOM 1845 C ASP B 91 0.999 -2.936 -16.179 1.00 0.00 C ATOM 1846 O ASP B 91 0.244 -2.225 -15.515 1.00 0.00 O ATOM 1847 CB ASP B 91 0.284 -5.176 -17.037 1.00 0.00 C ATOM 1848 CG ASP B 91 -1.128 -5.472 -16.572 1.00 0.00 C ATOM 1849 OD1 ASP B 91 -2.042 -4.696 -16.921 1.00 0.00 O ATOM 1850 OD2 ASP B 91 -1.320 -6.480 -15.859 1.00 0.00 O ATOM 0 H ASP B 91 2.114 -4.307 -18.567 1.00 0.00 H new ATOM 0 HA ASP B 91 -0.472 -3.273 -17.691 1.00 0.00 H new ATOM 0 HB2 ASP B 91 0.514 -5.792 -17.907 1.00 0.00 H new ATOM 0 HB3 ASP B 91 0.988 -5.456 -16.253 1.00 0.00 H new ATOM 1855 N SER B 92 2.288 -3.088 -15.893 1.00 0.00 N ATOM 1856 CA SER B 92 2.904 -2.411 -14.758 1.00 0.00 C ATOM 1857 C SER B 92 2.920 -0.900 -14.964 1.00 0.00 C ATOM 1858 O SER B 92 2.892 -0.132 -14.003 1.00 0.00 O ATOM 1859 CB SER B 92 4.331 -2.923 -14.545 1.00 0.00 C ATOM 1860 OG SER B 92 4.906 -3.351 -15.767 1.00 0.00 O ATOM 0 H SER B 92 2.926 -3.674 -16.432 1.00 0.00 H new ATOM 0 HA SER B 92 2.309 -2.631 -13.872 1.00 0.00 H new ATOM 0 HB2 SER B 92 4.943 -2.134 -14.108 1.00 0.00 H new ATOM 0 HB3 SER B 92 4.322 -3.749 -13.834 1.00 0.00 H new ATOM 0 HG SER B 92 5.818 -3.672 -15.605 1.00 0.00 H new ATOM 1866 N GLU B 93 2.967 -0.478 -16.225 1.00 0.00 N ATOM 1867 CA GLU B 93 2.987 0.943 -16.556 1.00 0.00 C ATOM 1868 C GLU B 93 1.767 1.656 -15.982 1.00 0.00 C ATOM 1869 O GLU B 93 1.836 2.832 -15.623 1.00 0.00 O ATOM 1870 CB GLU B 93 3.035 1.132 -18.074 1.00 0.00 C ATOM 1871 CG GLU B 93 3.662 2.448 -18.502 1.00 0.00 C ATOM 1872 CD GLU B 93 2.861 3.652 -18.045 1.00 0.00 C ATOM 1873 OE1 GLU B 93 1.807 3.930 -18.654 1.00 0.00 O ATOM 1874 OE2 GLU B 93 3.289 4.316 -17.077 1.00 0.00 O ATOM 0 H GLU B 93 2.992 -1.100 -17.033 1.00 0.00 H new ATOM 0 HA GLU B 93 3.881 1.381 -16.112 1.00 0.00 H new ATOM 0 HB2 GLU B 93 3.597 0.310 -18.517 1.00 0.00 H new ATOM 0 HB3 GLU B 93 2.022 1.075 -18.471 1.00 0.00 H new ATOM 0 HG2 GLU B 93 4.672 2.513 -18.097 1.00 0.00 H new ATOM 0 HG3 GLU B 93 3.752 2.467 -19.588 1.00 0.00 H new ATOM 1881 N GLU B 94 0.652 0.938 -15.898 1.00 0.00 N ATOM 1882 CA GLU B 94 -0.582 1.503 -15.366 1.00 0.00 C ATOM 1883 C GLU B 94 -0.418 1.879 -13.897 1.00 0.00 C ATOM 1884 O GLU B 94 -0.576 3.042 -13.522 1.00 0.00 O ATOM 1885 CB GLU B 94 -1.734 0.508 -15.524 1.00 0.00 C ATOM 1886 CG GLU B 94 -3.064 1.165 -15.854 1.00 0.00 C ATOM 1887 CD GLU B 94 -3.398 1.094 -17.331 1.00 0.00 C ATOM 1888 OE1 GLU B 94 -3.482 -0.030 -17.868 1.00 0.00 O ATOM 1889 OE2 GLU B 94 -3.577 2.163 -17.951 1.00 0.00 O ATOM 0 H GLU B 94 0.578 -0.036 -16.192 1.00 0.00 H new ATOM 0 HA GLU B 94 -0.812 2.406 -15.931 1.00 0.00 H new ATOM 0 HB2 GLU B 94 -1.484 -0.203 -16.312 1.00 0.00 H new ATOM 0 HB3 GLU B 94 -1.839 -0.063 -14.601 1.00 0.00 H new ATOM 0 HG2 GLU B 94 -3.856 0.681 -15.282 1.00 0.00 H new ATOM 0 HG3 GLU B 94 -3.037 2.209 -15.541 1.00 0.00 H new ATOM 1896 N PHE B 95 -0.099 0.890 -13.070 1.00 0.00 N ATOM 1897 CA PHE B 95 0.089 1.116 -11.642 1.00 0.00 C ATOM 1898 C PHE B 95 1.464 1.718 -11.366 1.00 0.00 C ATOM 1899 O PHE B 95 2.470 1.268 -11.914 1.00 0.00 O ATOM 1900 CB PHE B 95 -0.073 -0.198 -10.874 1.00 0.00 C ATOM 1901 CG PHE B 95 -0.901 -0.068 -9.627 1.00 0.00 C ATOM 1902 CD1 PHE B 95 -0.612 0.907 -8.685 1.00 0.00 C ATOM 1903 CD2 PHE B 95 -1.967 -0.923 -9.397 1.00 0.00 C ATOM 1904 CE1 PHE B 95 -1.372 1.026 -7.537 1.00 0.00 C ATOM 1905 CE2 PHE B 95 -2.730 -0.808 -8.251 1.00 0.00 C ATOM 1906 CZ PHE B 95 -2.432 0.168 -7.320 1.00 0.00 C ATOM 0 H PHE B 95 0.035 -0.077 -13.364 1.00 0.00 H new ATOM 0 HA PHE B 95 -0.670 1.821 -11.304 1.00 0.00 H new ATOM 0 HB2 PHE B 95 -0.532 -0.938 -11.529 1.00 0.00 H new ATOM 0 HB3 PHE B 95 0.913 -0.577 -10.607 1.00 0.00 H new ATOM 0 HD1 PHE B 95 0.216 1.581 -8.850 1.00 0.00 H new ATOM 0 HD2 PHE B 95 -2.204 -1.688 -10.122 1.00 0.00 H new ATOM 0 HE1 PHE B 95 -1.137 1.789 -6.810 1.00 0.00 H new ATOM 0 HE2 PHE B 95 -3.558 -1.480 -8.083 1.00 0.00 H new ATOM 0 HZ PHE B 95 -3.027 0.260 -6.424 1.00 0.00 H new ATOM 1916 N GLU B 96 1.501 2.739 -10.515 1.00 0.00 N ATOM 1917 CA GLU B 96 2.754 3.402 -10.172 1.00 0.00 C ATOM 1918 C GLU B 96 2.857 3.633 -8.666 1.00 0.00 C ATOM 1919 O GLU B 96 1.865 3.532 -7.944 1.00 0.00 O ATOM 1920 CB GLU B 96 2.869 4.735 -10.912 1.00 0.00 C ATOM 1921 CG GLU B 96 1.796 5.740 -10.527 1.00 0.00 C ATOM 1922 CD GLU B 96 1.911 7.039 -11.300 1.00 0.00 C ATOM 1923 OE1 GLU B 96 1.661 7.027 -12.524 1.00 0.00 O ATOM 1924 OE2 GLU B 96 2.250 8.070 -10.681 1.00 0.00 O ATOM 0 H GLU B 96 0.679 3.125 -10.051 1.00 0.00 H new ATOM 0 HA GLU B 96 3.574 2.752 -10.477 1.00 0.00 H new ATOM 0 HB2 GLU B 96 3.849 5.168 -10.712 1.00 0.00 H new ATOM 0 HB3 GLU B 96 2.814 4.551 -11.985 1.00 0.00 H new ATOM 0 HG2 GLU B 96 0.813 5.302 -10.703 1.00 0.00 H new ATOM 0 HG3 GLU B 96 1.865 5.949 -9.460 1.00 0.00 H new ATOM 1931 N ASP B 97 4.063 3.944 -8.203 1.00 0.00 N ATOM 1932 CA ASP B 97 4.297 4.191 -6.784 1.00 0.00 C ATOM 1933 C ASP B 97 4.250 5.684 -6.475 1.00 0.00 C ATOM 1934 O ASP B 97 4.364 6.518 -7.373 1.00 0.00 O ATOM 1935 CB ASP B 97 5.650 3.614 -6.362 1.00 0.00 C ATOM 1936 CG ASP B 97 5.759 3.433 -4.861 1.00 0.00 C ATOM 1937 OD1 ASP B 97 6.056 4.426 -4.164 1.00 0.00 O ATOM 1938 OD2 ASP B 97 5.547 2.299 -4.383 1.00 0.00 O ATOM 0 H ASP B 97 4.893 4.031 -8.789 1.00 0.00 H new ATOM 0 HA ASP B 97 3.506 3.697 -6.220 1.00 0.00 H new ATOM 0 HB2 ASP B 97 5.801 2.653 -6.853 1.00 0.00 H new ATOM 0 HB3 ASP B 97 6.446 4.275 -6.704 1.00 0.00 H new ATOM 1943 N VAL B 98 4.079 6.013 -5.198 1.00 0.00 N ATOM 1944 CA VAL B 98 4.017 7.405 -4.769 1.00 0.00 C ATOM 1945 C VAL B 98 5.000 7.675 -3.633 1.00 0.00 C ATOM 1946 O VAL B 98 5.041 6.941 -2.646 1.00 0.00 O ATOM 1947 CB VAL B 98 2.596 7.786 -4.309 1.00 0.00 C ATOM 1948 CG1 VAL B 98 2.169 6.937 -3.121 1.00 0.00 C ATOM 1949 CG2 VAL B 98 2.521 9.268 -3.969 1.00 0.00 C ATOM 0 H VAL B 98 3.981 5.334 -4.443 1.00 0.00 H new ATOM 0 HA VAL B 98 4.288 8.016 -5.630 1.00 0.00 H new ATOM 0 HB VAL B 98 1.907 7.590 -5.131 1.00 0.00 H new ATOM 0 HG11 VAL B 98 1.163 7.222 -2.813 1.00 0.00 H new ATOM 0 HG12 VAL B 98 2.177 5.885 -3.404 1.00 0.00 H new ATOM 0 HG13 VAL B 98 2.861 7.095 -2.294 1.00 0.00 H new ATOM 0 HG21 VAL B 98 1.510 9.517 -3.647 1.00 0.00 H new ATOM 0 HG22 VAL B 98 3.223 9.493 -3.167 1.00 0.00 H new ATOM 0 HG23 VAL B 98 2.776 9.857 -4.850 1.00 0.00 H new ATOM 1959 N THR B 99 5.789 8.734 -3.780 1.00 0.00 N ATOM 1960 CA THR B 99 6.771 9.102 -2.767 1.00 0.00 C ATOM 1961 C THR B 99 6.946 10.617 -2.704 1.00 0.00 C ATOM 1962 O THR B 99 7.663 11.203 -3.516 1.00 0.00 O ATOM 1963 CB THR B 99 8.115 8.431 -3.058 1.00 0.00 C ATOM 1964 OG1 THR B 99 8.198 8.043 -4.419 1.00 0.00 O ATOM 1965 CG2 THR B 99 8.365 7.200 -2.214 1.00 0.00 C ATOM 0 H THR B 99 5.767 9.352 -4.591 1.00 0.00 H new ATOM 0 HA THR B 99 6.405 8.756 -1.800 1.00 0.00 H new ATOM 0 HB THR B 99 8.870 9.179 -2.813 1.00 0.00 H new ATOM 0 HG1 THR B 99 9.065 7.618 -4.586 1.00 0.00 H new ATOM 0 HG21 THR B 99 9.335 6.774 -2.471 1.00 0.00 H new ATOM 0 HG22 THR B 99 8.357 7.474 -1.159 1.00 0.00 H new ATOM 0 HG23 THR B 99 7.583 6.464 -2.403 1.00 0.00 H new ATOM 1973 N ASP B 100 6.285 11.243 -1.736 1.00 0.00 N ATOM 1974 CA ASP B 100 6.367 12.690 -1.566 1.00 0.00 C ATOM 1975 C ASP B 100 5.818 13.414 -2.791 1.00 0.00 C ATOM 1976 O ASP B 100 5.892 12.906 -3.911 1.00 0.00 O ATOM 1977 CB ASP B 100 7.815 13.115 -1.315 1.00 0.00 C ATOM 1978 CG ASP B 100 8.157 13.155 0.162 1.00 0.00 C ATOM 1979 OD1 ASP B 100 7.863 14.179 0.812 1.00 0.00 O ATOM 1980 OD2 ASP B 100 8.720 12.160 0.668 1.00 0.00 O ATOM 0 H ASP B 100 5.687 10.772 -1.057 1.00 0.00 H new ATOM 0 HA ASP B 100 5.761 12.963 -0.702 1.00 0.00 H new ATOM 0 HB2 ASP B 100 8.487 12.423 -1.822 1.00 0.00 H new ATOM 0 HB3 ASP B 100 7.983 14.100 -1.751 1.00 0.00 H new ATOM 1985 N GLY B 101 5.267 14.604 -2.572 1.00 0.00 N ATOM 1986 CA GLY B 101 4.713 15.379 -3.667 1.00 0.00 C ATOM 1987 C GLY B 101 4.965 16.865 -3.511 1.00 0.00 C ATOM 1988 O GLY B 101 5.864 17.276 -2.777 1.00 0.00 O ATOM 0 H GLY B 101 5.194 15.045 -1.655 1.00 0.00 H new ATOM 0 HA2 GLY B 101 5.147 15.037 -4.606 1.00 0.00 H new ATOM 0 HA3 GLY B 101 3.640 15.200 -3.728 1.00 0.00 H new ATOM 1992 N ASN B 102 4.170 17.675 -4.203 1.00 0.00 N ATOM 1993 CA ASN B 102 4.311 19.125 -4.138 1.00 0.00 C ATOM 1994 C ASN B 102 2.961 19.792 -3.892 1.00 0.00 C ATOM 1995 O ASN B 102 1.946 19.390 -4.460 1.00 0.00 O ATOM 1996 CB ASN B 102 4.928 19.657 -5.432 1.00 0.00 C ATOM 1997 CG ASN B 102 6.440 19.560 -5.435 1.00 0.00 C ATOM 1998 OD1 ASN B 102 7.009 18.556 -5.862 1.00 0.00 O ATOM 1999 ND2 ASN B 102 7.100 20.608 -4.955 1.00 0.00 N ATOM 0 H ASN B 102 3.421 17.351 -4.815 1.00 0.00 H new ATOM 0 HA ASN B 102 4.971 19.364 -3.304 1.00 0.00 H new ATOM 0 HB2 ASN B 102 4.529 19.097 -6.278 1.00 0.00 H new ATOM 0 HB3 ASN B 102 4.633 20.697 -5.571 1.00 0.00 H new ATOM 0 HD21 ASN B 102 8.120 20.601 -4.930 1.00 0.00 H new ATOM 0 HD22 ASN B 102 6.587 21.420 -4.611 1.00 0.00 H new ATOM 2006 N GLU B 103 2.959 20.814 -3.042 1.00 0.00 N ATOM 2007 CA GLU B 103 1.734 21.538 -2.721 1.00 0.00 C ATOM 2008 C GLU B 103 1.980 23.043 -2.709 1.00 0.00 C ATOM 2009 O GLU B 103 2.794 23.543 -1.934 1.00 0.00 O ATOM 2010 CB GLU B 103 1.192 21.088 -1.364 1.00 0.00 C ATOM 2011 CG GLU B 103 0.636 19.674 -1.369 1.00 0.00 C ATOM 2012 CD GLU B 103 -0.640 19.546 -0.560 1.00 0.00 C ATOM 2013 OE1 GLU B 103 -1.647 20.183 -0.932 1.00 0.00 O ATOM 2014 OE2 GLU B 103 -0.632 18.808 0.448 1.00 0.00 O ATOM 0 H GLU B 103 3.791 21.159 -2.564 1.00 0.00 H new ATOM 0 HA GLU B 103 0.996 21.314 -3.492 1.00 0.00 H new ATOM 0 HB2 GLU B 103 1.990 21.153 -0.624 1.00 0.00 H new ATOM 0 HB3 GLU B 103 0.408 21.777 -1.049 1.00 0.00 H new ATOM 0 HG2 GLU B 103 0.442 19.367 -2.397 1.00 0.00 H new ATOM 0 HG3 GLU B 103 1.386 18.991 -0.969 1.00 0.00 H new ATOM 2021 N VAL B 104 1.270 23.760 -3.575 1.00 0.00 N ATOM 2022 CA VAL B 104 1.411 25.208 -3.664 1.00 0.00 C ATOM 2023 C VAL B 104 0.051 25.897 -3.628 1.00 0.00 C ATOM 2024 O VAL B 104 -0.025 27.077 -4.031 1.00 0.00 O ATOM 2025 CB VAL B 104 2.148 25.624 -4.951 1.00 0.00 C ATOM 2026 CG1 VAL B 104 3.611 25.209 -4.886 1.00 0.00 C ATOM 2027 CG2 VAL B 104 1.469 25.024 -6.172 1.00 0.00 C ATOM 0 H VAL B 104 0.592 23.361 -4.224 1.00 0.00 H new ATOM 0 HA VAL B 104 1.998 25.520 -2.800 1.00 0.00 H new ATOM 0 HB VAL B 104 2.106 26.710 -5.038 1.00 0.00 H new ATOM 0 HG11 VAL B 104 4.116 25.511 -5.804 1.00 0.00 H new ATOM 0 HG12 VAL B 104 4.089 25.692 -4.033 1.00 0.00 H new ATOM 0 HG13 VAL B 104 3.678 24.127 -4.775 1.00 0.00 H new ATOM 0 HG21 VAL B 104 2.003 25.329 -7.072 1.00 0.00 H new ATOM 0 HG22 VAL B 104 1.477 23.937 -6.095 1.00 0.00 H new ATOM 0 HG23 VAL B 104 0.439 25.376 -6.225 1.00 0.00 H new TER 2037 VAL B 104