USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 825 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 102 MET CE :methyl 146:sc= -0.461 (180deg=-1.45!) USER MOD Set 1.2: A 106 GLN : amide:sc= -0.444 K(o=-0.9,f=-1.8) USER MOD Set 2.1: A 57 LYS NZ :NH3+ -150:sc= -1.22 (180deg=-1.24) USER MOD Set 2.2: A 59 MET CE :methyl -121:sc= -7.94! (180deg=-14.9!) USER MOD Set 3.1: A 28 THR OG1 : rot 180:sc= -2.42! USER MOD Set 3.2: A 39 THR OG1 : rot -170:sc= -4.49! USER MOD Set 4.1: A 3 HIS : no HD1:sc= -0.445 K(o=-0.45,f=-2.3) USER MOD Set 4.2: A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.267) USER MOD Single : A 13 SER OG : rot 180:sc= 0.0596 USER MOD Single : A 19 ASN : amide:sc=-0.00476 X(o=-0.0048,f=-0.0048) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc=-0.00302 USER MOD Single : A 32 THR OG1 : rot 76:sc= -0.183 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.15 X(o=-0.15,f=-0.28) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.929 K(o=0.93,f=-0.46) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.00956 USER MOD Single : A 54 SER OG : rot 180:sc= 0.0105 USER MOD Single : A 55 SER OG : rot -42:sc= 0.259 USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS : no HD1:sc= -0.265 X(o=-0.27,f=-0.007) USER MOD Single : A 88 MET CE :methyl -121:sc= -5.02! (180deg=-11.9!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 ASN : amide:sc= -0.362 K(o=-0.36,f=-2.5!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0211 USER MOD Single : A 97 MET CE :methyl -145:sc= 0 (180deg=-0.0939) USER MOD Single : A 99 ASN : amide:sc= -6.1! C(o=-6.1!,f=-5.9!) USER MOD Single : A 101 LYS NZ :NH3+ 141:sc= 0.234 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 119:sc= 0.0429 USER MOD Single : A 105 GLN : amide:sc= -0.0034 X(o=-0.0034,f=-0.18) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 34:sc= -2.34 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 477 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 478 MET CE :methyl -179:sc= -0.837 (180deg=-0.838) USER MOD Single : B 480 THR OG1 : rot 97:sc= 1.15 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -8.900 13.811 11.079 1.00 0.00 N ATOM 2 CA PRO A 1 -8.745 12.888 9.922 1.00 0.00 C ATOM 3 C PRO A 1 -7.276 12.563 9.649 1.00 0.00 C ATOM 4 O PRO A 1 -6.786 12.732 8.532 1.00 0.00 O ATOM 5 CB PRO A 1 -9.380 13.562 8.707 1.00 0.00 C ATOM 6 CG PRO A 1 -10.041 14.777 9.265 1.00 0.00 C ATOM 7 CD PRO A 1 -9.299 15.120 10.533 1.00 0.00 C ATOM 0 H2 PRO A 1 -8.026 13.888 11.599 1.00 0.00 H new ATOM 0 H3 PRO A 1 -9.604 13.461 11.729 1.00 0.00 H new ATOM 0 HA PRO A 1 -9.237 11.940 10.141 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -8.631 13.824 7.960 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -10.100 12.906 8.219 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -9.999 15.603 8.555 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -11.094 14.586 9.471 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -8.432 15.749 10.330 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -9.933 15.667 11.231 1.00 0.00 H new ATOM 17 N SER A 2 -6.579 12.093 10.679 1.00 0.00 N ATOM 18 CA SER A 2 -5.168 11.743 10.552 1.00 0.00 C ATOM 19 C SER A 2 -4.986 10.250 10.280 1.00 0.00 C ATOM 20 O SER A 2 -3.865 9.780 10.086 1.00 0.00 O ATOM 21 CB SER A 2 -4.411 12.135 11.822 1.00 0.00 C ATOM 22 OG SER A 2 -4.629 11.193 12.858 1.00 0.00 O ATOM 0 H SER A 2 -6.968 11.946 11.610 1.00 0.00 H new ATOM 0 HA SER A 2 -4.763 12.295 9.704 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.345 12.203 11.607 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.734 13.123 12.151 1.00 0.00 H new ATOM 0 HG SER A 2 -4.133 11.466 13.658 1.00 0.00 H new ATOM 28 N HIS A 3 -6.090 9.506 10.268 1.00 0.00 N ATOM 29 CA HIS A 3 -6.040 8.067 10.022 1.00 0.00 C ATOM 30 C HIS A 3 -7.078 7.641 8.995 1.00 0.00 C ATOM 31 O HIS A 3 -7.457 6.474 8.917 1.00 0.00 O ATOM 32 CB HIS A 3 -6.220 7.286 11.323 1.00 0.00 C ATOM 33 CG HIS A 3 -7.506 7.575 12.036 1.00 0.00 C ATOM 34 ND1 HIS A 3 -8.515 8.350 11.500 1.00 0.00 N ATOM 35 CD2 HIS A 3 -7.946 7.183 13.256 1.00 0.00 C ATOM 36 CE1 HIS A 3 -9.516 8.422 12.359 1.00 0.00 C ATOM 37 NE2 HIS A 3 -9.196 7.722 13.431 1.00 0.00 N ATOM 0 H HIS A 3 -7.028 9.875 10.425 1.00 0.00 H new ATOM 0 HA HIS A 3 -5.055 7.838 9.615 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -6.170 6.219 11.104 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -5.388 7.514 11.989 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -7.412 6.562 13.960 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -10.439 8.962 12.209 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -9.783 7.601 14.256 1.00 0.00 H new ATOM 46 N SER A 4 -7.525 8.598 8.211 1.00 0.00 N ATOM 47 CA SER A 4 -8.514 8.346 7.172 1.00 0.00 C ATOM 48 C SER A 4 -8.279 9.265 5.988 1.00 0.00 C ATOM 49 O SER A 4 -7.829 10.400 6.151 1.00 0.00 O ATOM 50 CB SER A 4 -9.930 8.538 7.718 1.00 0.00 C ATOM 51 OG SER A 4 -10.008 9.686 8.545 1.00 0.00 O ATOM 0 H SER A 4 -7.219 9.569 8.271 1.00 0.00 H new ATOM 0 HA SER A 4 -8.409 7.313 6.841 1.00 0.00 H new ATOM 0 HB2 SER A 4 -10.632 8.635 6.890 1.00 0.00 H new ATOM 0 HB3 SER A 4 -10.226 7.656 8.286 1.00 0.00 H new ATOM 0 HG SER A 4 -10.924 9.787 8.879 1.00 0.00 H new ATOM 57 N GLY A 5 -8.572 8.770 4.795 1.00 0.00 N ATOM 58 CA GLY A 5 -8.367 9.565 3.609 1.00 0.00 C ATOM 59 C GLY A 5 -8.950 8.921 2.374 1.00 0.00 C ATOM 60 O GLY A 5 -9.425 7.790 2.423 1.00 0.00 O ATOM 0 H GLY A 5 -8.946 7.836 4.630 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -8.819 10.547 3.751 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.299 9.724 3.462 1.00 0.00 H new ATOM 64 N ALA A 6 -8.916 9.645 1.265 1.00 0.00 N ATOM 65 CA ALA A 6 -9.447 9.139 0.010 1.00 0.00 C ATOM 66 C ALA A 6 -8.328 8.838 -0.980 1.00 0.00 C ATOM 67 O ALA A 6 -7.515 9.705 -1.299 1.00 0.00 O ATOM 68 CB ALA A 6 -10.427 10.139 -0.582 1.00 0.00 C ATOM 0 H ALA A 6 -8.526 10.586 1.210 1.00 0.00 H new ATOM 0 HA ALA A 6 -9.972 8.206 0.213 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -10.819 9.751 -1.522 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -11.249 10.300 0.116 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.916 11.084 -0.765 1.00 0.00 H new ATOM 74 N ALA A 7 -8.299 7.602 -1.467 1.00 0.00 N ATOM 75 CA ALA A 7 -7.288 7.178 -2.426 1.00 0.00 C ATOM 76 C ALA A 7 -7.866 6.154 -3.394 1.00 0.00 C ATOM 77 O ALA A 7 -8.791 5.418 -3.053 1.00 0.00 O ATOM 78 CB ALA A 7 -6.080 6.602 -1.703 1.00 0.00 C ATOM 0 H ALA A 7 -8.967 6.875 -1.212 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.968 8.049 -2.997 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.334 6.290 -2.433 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -5.652 7.361 -1.048 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -6.388 5.742 -1.108 1.00 0.00 H new ATOM 84 N ILE A 8 -7.319 6.111 -4.602 1.00 0.00 N ATOM 85 CA ILE A 8 -7.787 5.175 -5.611 1.00 0.00 C ATOM 86 C ILE A 8 -7.085 3.827 -5.466 1.00 0.00 C ATOM 87 O ILE A 8 -5.858 3.745 -5.500 1.00 0.00 O ATOM 88 CB ILE A 8 -7.580 5.737 -7.042 1.00 0.00 C ATOM 89 CG1 ILE A 8 -8.821 5.473 -7.900 1.00 0.00 C ATOM 90 CG2 ILE A 8 -6.337 5.143 -7.693 1.00 0.00 C ATOM 91 CD1 ILE A 8 -8.547 4.676 -9.161 1.00 0.00 C ATOM 0 H ILE A 8 -6.553 6.712 -4.905 1.00 0.00 H new ATOM 0 HA ILE A 8 -8.856 5.031 -5.455 1.00 0.00 H new ATOM 0 HB ILE A 8 -7.431 6.814 -6.966 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -9.557 4.939 -7.299 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -9.267 6.428 -8.177 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.218 5.556 -8.695 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -5.460 5.388 -7.094 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -6.442 4.060 -7.757 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -9.477 4.533 -9.711 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -7.836 5.216 -9.786 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -8.131 3.705 -8.894 1.00 0.00 H new ATOM 103 N PHE A 9 -7.874 2.775 -5.307 1.00 0.00 N ATOM 104 CA PHE A 9 -7.332 1.429 -5.159 1.00 0.00 C ATOM 105 C PHE A 9 -7.809 0.528 -6.290 1.00 0.00 C ATOM 106 O PHE A 9 -8.964 0.599 -6.710 1.00 0.00 O ATOM 107 CB PHE A 9 -7.739 0.836 -3.810 1.00 0.00 C ATOM 108 CG PHE A 9 -6.875 -0.313 -3.374 1.00 0.00 C ATOM 109 CD1 PHE A 9 -7.035 -1.569 -3.936 1.00 0.00 C ATOM 110 CD2 PHE A 9 -5.903 -0.136 -2.403 1.00 0.00 C ATOM 111 CE1 PHE A 9 -6.242 -2.628 -3.538 1.00 0.00 C ATOM 112 CE2 PHE A 9 -5.106 -1.191 -2.000 1.00 0.00 C ATOM 113 CZ PHE A 9 -5.276 -2.439 -2.568 1.00 0.00 C ATOM 0 H PHE A 9 -8.892 2.826 -5.277 1.00 0.00 H new ATOM 0 HA PHE A 9 -6.245 1.494 -5.203 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.699 1.618 -3.052 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -8.774 0.500 -3.867 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -7.789 -1.722 -4.694 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.766 0.837 -1.956 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -6.377 -3.602 -3.984 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -4.351 -1.040 -1.242 1.00 0.00 H new ATOM 0 HZ PHE A 9 -4.655 -3.265 -2.255 1.00 0.00 H new ATOM 123 N GLU A 10 -6.910 -0.316 -6.785 1.00 0.00 N ATOM 124 CA GLU A 10 -7.239 -1.226 -7.874 1.00 0.00 C ATOM 125 C GLU A 10 -7.719 -0.452 -9.098 1.00 0.00 C ATOM 126 O GLU A 10 -8.452 -0.983 -9.932 1.00 0.00 O ATOM 127 CB GLU A 10 -8.313 -2.220 -7.430 1.00 0.00 C ATOM 128 CG GLU A 10 -7.750 -3.479 -6.790 1.00 0.00 C ATOM 129 CD GLU A 10 -8.832 -4.454 -6.372 1.00 0.00 C ATOM 130 OE1 GLU A 10 -9.963 -4.003 -6.094 1.00 0.00 O ATOM 131 OE2 GLU A 10 -8.550 -5.670 -6.323 1.00 0.00 O ATOM 0 H GLU A 10 -5.949 -0.388 -6.449 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.337 -1.776 -8.143 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.980 -1.729 -6.721 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.916 -2.500 -8.294 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.076 -3.969 -7.493 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.157 -3.205 -5.918 1.00 0.00 H new ATOM 138 N LYS A 11 -7.301 0.808 -9.198 1.00 0.00 N ATOM 139 CA LYS A 11 -7.686 1.655 -10.314 1.00 0.00 C ATOM 140 C LYS A 11 -9.186 1.899 -10.310 1.00 0.00 C ATOM 141 O LYS A 11 -9.846 1.844 -11.348 1.00 0.00 O ATOM 142 CB LYS A 11 -7.235 1.027 -11.631 1.00 0.00 C ATOM 143 CG LYS A 11 -5.853 0.396 -11.547 1.00 0.00 C ATOM 144 CD LYS A 11 -4.783 1.429 -11.221 1.00 0.00 C ATOM 145 CE LYS A 11 -4.725 2.527 -12.272 1.00 0.00 C ATOM 146 NZ LYS A 11 -5.115 3.852 -11.714 1.00 0.00 N ATOM 0 H LYS A 11 -6.694 1.262 -8.515 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.192 2.621 -10.208 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.957 0.268 -11.931 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.233 1.790 -12.409 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.853 -0.381 -10.783 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.615 -0.088 -12.494 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.987 1.869 -10.245 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.812 0.939 -11.153 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.715 2.587 -12.678 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.387 2.273 -13.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.795 4.606 -12.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.149 3.897 -11.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.673 3.980 -10.781 1.00 0.00 H new ATOM 160 N VAL A 12 -9.709 2.178 -9.124 1.00 0.00 N ATOM 161 CA VAL A 12 -11.124 2.446 -8.947 1.00 0.00 C ATOM 162 C VAL A 12 -11.331 3.450 -7.814 1.00 0.00 C ATOM 163 O VAL A 12 -11.148 3.122 -6.641 1.00 0.00 O ATOM 164 CB VAL A 12 -11.890 1.140 -8.652 1.00 0.00 C ATOM 165 CG1 VAL A 12 -13.221 1.414 -7.963 1.00 0.00 C ATOM 166 CG2 VAL A 12 -12.103 0.351 -9.935 1.00 0.00 C ATOM 0 H VAL A 12 -9.165 2.224 -8.263 1.00 0.00 H new ATOM 0 HA VAL A 12 -11.515 2.872 -9.871 1.00 0.00 H new ATOM 0 HB VAL A 12 -11.284 0.545 -7.969 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -13.732 0.471 -7.771 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -13.043 1.929 -7.019 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -13.841 2.039 -8.605 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -12.645 -0.568 -9.711 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -12.680 0.950 -10.639 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -11.137 0.105 -10.375 1.00 0.00 H new ATOM 176 N SER A 13 -11.696 4.679 -8.179 1.00 0.00 N ATOM 177 CA SER A 13 -11.914 5.754 -7.210 1.00 0.00 C ATOM 178 C SER A 13 -12.607 5.253 -5.946 1.00 0.00 C ATOM 179 O SER A 13 -13.704 4.697 -6.003 1.00 0.00 O ATOM 180 CB SER A 13 -12.738 6.872 -7.847 1.00 0.00 C ATOM 181 OG SER A 13 -12.378 7.061 -9.204 1.00 0.00 O ATOM 0 H SER A 13 -11.848 4.957 -9.149 1.00 0.00 H new ATOM 0 HA SER A 13 -10.936 6.138 -6.920 1.00 0.00 H new ATOM 0 HB2 SER A 13 -13.799 6.630 -7.779 1.00 0.00 H new ATOM 0 HB3 SER A 13 -12.587 7.799 -7.295 1.00 0.00 H new ATOM 0 HG SER A 13 -12.921 7.780 -9.589 1.00 0.00 H new ATOM 187 N GLY A 14 -11.955 5.459 -4.805 1.00 0.00 N ATOM 188 CA GLY A 14 -12.518 5.028 -3.540 1.00 0.00 C ATOM 189 C GLY A 14 -11.977 5.812 -2.361 1.00 0.00 C ATOM 190 O GLY A 14 -11.427 6.900 -2.530 1.00 0.00 O ATOM 0 H GLY A 14 -11.046 5.917 -4.735 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -13.602 5.134 -3.575 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -12.306 3.969 -3.395 1.00 0.00 H new ATOM 194 N ILE A 15 -12.142 5.258 -1.165 1.00 0.00 N ATOM 195 CA ILE A 15 -11.680 5.905 0.055 1.00 0.00 C ATOM 196 C ILE A 15 -10.956 4.923 0.972 1.00 0.00 C ATOM 197 O ILE A 15 -11.250 3.728 0.971 1.00 0.00 O ATOM 198 CB ILE A 15 -12.846 6.538 0.828 1.00 0.00 C ATOM 199 CG1 ILE A 15 -13.733 7.368 -0.106 1.00 0.00 C ATOM 200 CG2 ILE A 15 -12.310 7.395 1.959 1.00 0.00 C ATOM 201 CD1 ILE A 15 -12.981 8.418 -0.892 1.00 0.00 C ATOM 0 H ILE A 15 -12.595 4.357 -1.015 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.984 6.685 -0.253 1.00 0.00 H new ATOM 0 HB ILE A 15 -13.459 5.741 1.250 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -14.237 6.698 -0.803 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -14.509 7.856 0.484 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -13.142 7.841 2.503 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -11.723 6.776 2.637 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -11.679 8.184 1.550 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -13.677 8.963 -1.529 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -12.499 9.112 -0.204 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -12.224 7.936 -1.511 1.00 0.00 H new ATOM 213 N ILE A 16 -10.009 5.436 1.756 1.00 0.00 N ATOM 214 CA ILE A 16 -9.242 4.600 2.674 1.00 0.00 C ATOM 215 C ILE A 16 -9.569 4.920 4.131 1.00 0.00 C ATOM 216 O ILE A 16 -9.874 6.061 4.478 1.00 0.00 O ATOM 217 CB ILE A 16 -7.713 4.761 2.482 1.00 0.00 C ATOM 218 CG1 ILE A 16 -7.372 5.371 1.116 1.00 0.00 C ATOM 219 CG2 ILE A 16 -7.015 3.421 2.654 1.00 0.00 C ATOM 220 CD1 ILE A 16 -6.628 6.685 1.220 1.00 0.00 C ATOM 0 H ILE A 16 -9.756 6.424 1.773 1.00 0.00 H new ATOM 0 HA ILE A 16 -9.528 3.574 2.441 1.00 0.00 H new ATOM 0 HB ILE A 16 -7.355 5.449 3.247 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -6.768 4.662 0.549 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -8.293 5.526 0.554 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -5.941 3.550 2.516 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -7.209 3.036 3.655 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -7.394 2.716 1.914 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -6.417 7.064 0.220 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -7.240 7.408 1.760 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -5.691 6.531 1.755 1.00 0.00 H new ATOM 232 N ALA A 17 -9.482 3.901 4.978 1.00 0.00 N ATOM 233 CA ALA A 17 -9.744 4.051 6.404 1.00 0.00 C ATOM 234 C ALA A 17 -8.795 3.167 7.207 1.00 0.00 C ATOM 235 O ALA A 17 -8.698 1.966 6.959 1.00 0.00 O ATOM 236 CB ALA A 17 -11.191 3.705 6.719 1.00 0.00 C ATOM 0 H ALA A 17 -9.229 2.953 4.698 1.00 0.00 H new ATOM 0 HA ALA A 17 -9.573 5.091 6.684 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -11.369 3.822 7.788 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -11.853 4.371 6.166 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -11.390 2.673 6.429 1.00 0.00 H new ATOM 242 N ILE A 18 -8.085 3.763 8.161 1.00 0.00 N ATOM 243 CA ILE A 18 -7.139 3.020 8.978 1.00 0.00 C ATOM 244 C ILE A 18 -7.787 2.547 10.277 1.00 0.00 C ATOM 245 O ILE A 18 -8.472 3.312 10.957 1.00 0.00 O ATOM 246 CB ILE A 18 -5.890 3.883 9.291 1.00 0.00 C ATOM 247 CG1 ILE A 18 -4.672 3.365 8.525 1.00 0.00 C ATOM 248 CG2 ILE A 18 -5.607 3.924 10.784 1.00 0.00 C ATOM 249 CD1 ILE A 18 -4.384 4.147 7.261 1.00 0.00 C ATOM 0 H ILE A 18 -8.149 4.756 8.385 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.828 2.143 8.410 1.00 0.00 H new ATOM 0 HB ILE A 18 -6.097 4.902 8.963 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.798 3.404 9.176 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.831 2.318 8.268 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.725 4.537 10.970 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -6.463 4.352 11.305 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -5.429 2.912 11.149 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.508 3.728 6.766 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.243 4.087 6.592 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.194 5.190 7.514 1.00 0.00 H new ATOM 261 N ASN A 19 -7.557 1.284 10.618 1.00 0.00 N ATOM 262 CA ASN A 19 -8.104 0.709 11.832 1.00 0.00 C ATOM 263 C ASN A 19 -7.006 0.507 12.871 1.00 0.00 C ATOM 264 O ASN A 19 -6.558 -0.616 13.106 1.00 0.00 O ATOM 265 CB ASN A 19 -8.793 -0.623 11.528 1.00 0.00 C ATOM 266 CG ASN A 19 -9.544 -1.171 12.726 1.00 0.00 C ATOM 267 OD1 ASN A 19 -9.125 -2.152 13.340 1.00 0.00 O ATOM 268 ND2 ASN A 19 -10.662 -0.539 13.063 1.00 0.00 N ATOM 0 H ASN A 19 -6.992 0.640 10.065 1.00 0.00 H new ATOM 0 HA ASN A 19 -8.842 1.401 12.237 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -9.486 -0.489 10.698 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -8.047 -1.350 11.206 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -11.211 -0.863 13.859 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -10.972 0.271 12.526 1.00 0.00 H new ATOM 275 N GLU A 20 -6.572 1.602 13.491 1.00 0.00 N ATOM 276 CA GLU A 20 -5.522 1.540 14.503 1.00 0.00 C ATOM 277 C GLU A 20 -6.105 1.339 15.900 1.00 0.00 C ATOM 278 O GLU A 20 -5.432 1.587 16.901 1.00 0.00 O ATOM 279 CB GLU A 20 -4.674 2.814 14.474 1.00 0.00 C ATOM 280 CG GLU A 20 -3.627 2.827 13.372 1.00 0.00 C ATOM 281 CD GLU A 20 -2.283 3.338 13.853 1.00 0.00 C ATOM 282 OE1 GLU A 20 -1.579 2.583 14.557 1.00 0.00 O ATOM 283 OE2 GLU A 20 -1.934 4.492 13.527 1.00 0.00 O ATOM 0 H GLU A 20 -6.930 2.540 13.311 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.891 0.683 14.269 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.331 3.674 14.348 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -4.177 2.931 15.437 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.508 1.818 12.977 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.977 3.452 12.550 1.00 0.00 H new ATOM 290 N ASP A 21 -7.350 0.875 15.967 1.00 0.00 N ATOM 291 CA ASP A 21 -8.000 0.628 17.246 1.00 0.00 C ATOM 292 C ASP A 21 -7.494 -0.678 17.842 1.00 0.00 C ATOM 293 O ASP A 21 -7.468 -0.853 19.060 1.00 0.00 O ATOM 294 CB ASP A 21 -9.519 0.574 17.073 1.00 0.00 C ATOM 295 CG ASP A 21 -10.140 1.954 16.981 1.00 0.00 C ATOM 296 OD1 ASP A 21 -9.889 2.653 15.976 1.00 0.00 O ATOM 297 OD2 ASP A 21 -10.878 2.336 17.913 1.00 0.00 O ATOM 0 H ASP A 21 -7.926 0.664 15.152 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.758 1.446 17.924 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.759 0.010 16.172 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.959 0.036 17.913 1.00 0.00 H new ATOM 302 N VAL A 22 -7.082 -1.589 16.965 1.00 0.00 N ATOM 303 CA VAL A 22 -6.563 -2.878 17.386 1.00 0.00 C ATOM 304 C VAL A 22 -5.037 -2.842 17.452 1.00 0.00 C ATOM 305 O VAL A 22 -4.393 -2.144 16.669 1.00 0.00 O ATOM 306 CB VAL A 22 -7.018 -4.000 16.428 1.00 0.00 C ATOM 307 CG1 VAL A 22 -6.415 -3.809 15.043 1.00 0.00 C ATOM 308 CG2 VAL A 22 -6.666 -5.370 16.992 1.00 0.00 C ATOM 0 H VAL A 22 -7.100 -1.453 15.954 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.960 -3.089 18.379 1.00 0.00 H new ATOM 0 HB VAL A 22 -8.102 -3.944 16.332 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.750 -4.612 14.386 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.735 -2.850 14.636 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.327 -3.829 15.114 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.996 -6.144 16.300 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.587 -5.441 17.128 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.162 -5.506 17.953 1.00 0.00 H new ATOM 318 N SER A 23 -4.465 -3.586 18.396 1.00 0.00 N ATOM 319 CA SER A 23 -3.012 -3.629 18.574 1.00 0.00 C ATOM 320 C SER A 23 -2.278 -3.711 17.232 1.00 0.00 C ATOM 321 O SER A 23 -1.539 -2.796 16.867 1.00 0.00 O ATOM 322 CB SER A 23 -2.621 -4.816 19.457 1.00 0.00 C ATOM 323 OG SER A 23 -2.586 -4.445 20.824 1.00 0.00 O ATOM 0 H SER A 23 -4.985 -4.169 19.052 1.00 0.00 H new ATOM 0 HA SER A 23 -2.713 -2.701 19.062 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.334 -5.629 19.316 1.00 0.00 H new ATOM 0 HB3 SER A 23 -1.644 -5.192 19.154 1.00 0.00 H new ATOM 0 HG SER A 23 -2.335 -5.221 21.367 1.00 0.00 H new ATOM 329 N PRO A 24 -2.468 -4.809 16.479 1.00 0.00 N ATOM 330 CA PRO A 24 -1.815 -4.999 15.179 1.00 0.00 C ATOM 331 C PRO A 24 -2.124 -3.874 14.193 1.00 0.00 C ATOM 332 O PRO A 24 -1.300 -3.537 13.346 1.00 0.00 O ATOM 333 CB PRO A 24 -2.389 -6.330 14.668 1.00 0.00 C ATOM 334 CG PRO A 24 -3.602 -6.582 15.499 1.00 0.00 C ATOM 335 CD PRO A 24 -3.325 -5.951 16.832 1.00 0.00 C ATOM 0 HA PRO A 24 -0.729 -4.999 15.277 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -2.643 -6.268 13.610 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -1.665 -7.137 14.775 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -4.489 -6.147 15.038 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -3.789 -7.651 15.604 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -4.242 -5.631 17.327 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -2.821 -6.641 17.509 1.00 0.00 H new ATOM 343 N ALA A 25 -3.310 -3.291 14.308 1.00 0.00 N ATOM 344 CA ALA A 25 -3.713 -2.206 13.421 1.00 0.00 C ATOM 345 C ALA A 25 -3.745 -2.669 11.967 1.00 0.00 C ATOM 346 O ALA A 25 -2.982 -3.548 11.569 1.00 0.00 O ATOM 347 CB ALA A 25 -2.771 -1.028 13.585 1.00 0.00 C ATOM 0 H ALA A 25 -4.009 -3.550 15.005 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.721 -1.894 13.693 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.078 -0.221 12.919 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -2.802 -0.679 14.617 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -1.756 -1.337 13.337 1.00 0.00 H new ATOM 353 N GLU A 26 -4.635 -2.076 11.178 1.00 0.00 N ATOM 354 CA GLU A 26 -4.765 -2.435 9.773 1.00 0.00 C ATOM 355 C GLU A 26 -5.305 -1.269 8.948 1.00 0.00 C ATOM 356 O GLU A 26 -5.825 -0.295 9.492 1.00 0.00 O ATOM 357 CB GLU A 26 -5.682 -3.650 9.614 1.00 0.00 C ATOM 358 CG GLU A 26 -5.461 -4.728 10.664 1.00 0.00 C ATOM 359 CD GLU A 26 -6.415 -5.897 10.513 1.00 0.00 C ATOM 360 OE1 GLU A 26 -7.178 -5.919 9.524 1.00 0.00 O ATOM 361 OE2 GLU A 26 -6.400 -6.792 11.385 1.00 0.00 O ATOM 0 H GLU A 26 -5.276 -1.346 11.489 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.770 -2.684 9.403 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.719 -3.319 9.660 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.529 -4.082 8.625 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.435 -5.090 10.596 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.580 -4.293 11.656 1.00 0.00 H new ATOM 368 N LEU A 27 -5.189 -1.389 7.628 1.00 0.00 N ATOM 369 CA LEU A 27 -5.672 -0.369 6.713 1.00 0.00 C ATOM 370 C LEU A 27 -6.824 -0.927 5.882 1.00 0.00 C ATOM 371 O LEU A 27 -6.667 -1.929 5.183 1.00 0.00 O ATOM 372 CB LEU A 27 -4.542 0.100 5.794 1.00 0.00 C ATOM 373 CG LEU A 27 -4.957 1.103 4.715 1.00 0.00 C ATOM 374 CD1 LEU A 27 -3.774 1.965 4.303 1.00 0.00 C ATOM 375 CD2 LEU A 27 -5.537 0.378 3.510 1.00 0.00 C ATOM 0 H LEU A 27 -4.760 -2.192 7.169 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.026 0.485 7.291 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.760 0.551 6.406 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.104 -0.772 5.308 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.727 1.755 5.128 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.089 2.672 3.535 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.403 2.512 5.170 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.981 1.330 3.908 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.827 1.106 2.752 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.788 -0.297 3.097 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.412 -0.195 3.817 1.00 0.00 H new ATOM 387 N THR A 28 -7.986 -0.288 5.973 1.00 0.00 N ATOM 388 CA THR A 28 -9.165 -0.740 5.240 1.00 0.00 C ATOM 389 C THR A 28 -9.605 0.285 4.201 1.00 0.00 C ATOM 390 O THR A 28 -9.850 1.445 4.526 1.00 0.00 O ATOM 391 CB THR A 28 -10.314 -1.014 6.214 1.00 0.00 C ATOM 392 OG1 THR A 28 -9.948 -2.006 7.156 1.00 0.00 O ATOM 393 CG2 THR A 28 -11.584 -1.476 5.532 1.00 0.00 C ATOM 0 H THR A 28 -8.137 0.543 6.545 1.00 0.00 H new ATOM 0 HA THR A 28 -8.900 -1.659 4.717 1.00 0.00 H new ATOM 0 HB THR A 28 -10.510 -0.059 6.701 1.00 0.00 H new ATOM 0 HG1 THR A 28 -10.695 -2.165 7.770 1.00 0.00 H new ATOM 0 HG21 THR A 28 -12.356 -1.652 6.281 1.00 0.00 H new ATOM 0 HG22 THR A 28 -11.922 -0.709 4.835 1.00 0.00 H new ATOM 0 HG23 THR A 28 -11.389 -2.400 4.988 1.00 0.00 H new ATOM 401 N TRP A 29 -9.717 -0.155 2.952 1.00 0.00 N ATOM 402 CA TRP A 29 -10.144 0.727 1.868 1.00 0.00 C ATOM 403 C TRP A 29 -11.321 0.135 1.104 1.00 0.00 C ATOM 404 O TRP A 29 -11.372 -1.068 0.856 1.00 0.00 O ATOM 405 CB TRP A 29 -9.002 1.006 0.883 1.00 0.00 C ATOM 406 CG TRP A 29 -9.475 1.700 -0.366 1.00 0.00 C ATOM 407 CD1 TRP A 29 -9.330 3.021 -0.677 1.00 0.00 C ATOM 408 CD2 TRP A 29 -10.193 1.107 -1.459 1.00 0.00 C ATOM 409 NE1 TRP A 29 -9.923 3.291 -1.888 1.00 0.00 N ATOM 410 CE2 TRP A 29 -10.448 2.130 -2.393 1.00 0.00 C ATOM 411 CE3 TRP A 29 -10.643 -0.188 -1.742 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -11.131 1.896 -3.585 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -11.323 -0.415 -2.925 1.00 0.00 C ATOM 414 CH2 TRP A 29 -11.559 0.623 -3.833 1.00 0.00 C ATOM 0 H TRP A 29 -9.519 -1.113 2.664 1.00 0.00 H new ATOM 0 HA TRP A 29 -10.449 1.664 2.333 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -8.246 1.621 1.372 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -8.522 0.066 0.613 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -8.823 3.749 -0.061 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -9.965 4.206 -2.337 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -10.462 -0.996 -1.049 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -11.316 2.694 -4.289 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -11.678 -1.410 -3.151 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -12.091 0.413 -4.749 1.00 0.00 H new ATOM 425 N ARG A 30 -12.246 0.999 0.704 1.00 0.00 N ATOM 426 CA ARG A 30 -13.407 0.571 -0.071 1.00 0.00 C ATOM 427 C ARG A 30 -13.731 1.591 -1.152 1.00 0.00 C ATOM 428 O ARG A 30 -13.408 2.771 -1.023 1.00 0.00 O ATOM 429 CB ARG A 30 -14.634 0.361 0.820 1.00 0.00 C ATOM 430 CG ARG A 30 -15.248 1.644 1.342 1.00 0.00 C ATOM 431 CD ARG A 30 -14.394 2.276 2.429 1.00 0.00 C ATOM 432 NE ARG A 30 -15.163 3.204 3.255 1.00 0.00 N ATOM 433 CZ ARG A 30 -14.844 3.527 4.507 1.00 0.00 C ATOM 434 NH1 ARG A 30 -13.766 3.007 5.082 1.00 0.00 N ATOM 435 NH2 ARG A 30 -15.603 4.376 5.186 1.00 0.00 N ATOM 0 H ARG A 30 -12.216 1.999 0.902 1.00 0.00 H new ATOM 0 HA ARG A 30 -13.154 -0.382 -0.535 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -15.389 -0.187 0.256 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -14.352 -0.265 1.667 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -15.371 2.349 0.520 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -16.243 1.437 1.736 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -13.971 1.494 3.059 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -13.557 2.804 1.972 1.00 0.00 H new ATOM 0 HE ARG A 30 -15.995 3.631 2.848 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -13.176 2.356 4.564 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -13.528 3.259 6.041 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -16.431 4.781 4.749 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -15.359 4.624 6.145 1.00 0.00 H new ATOM 449 N SER A 31 -14.384 1.133 -2.213 1.00 0.00 N ATOM 450 CA SER A 31 -14.763 2.020 -3.307 1.00 0.00 C ATOM 451 C SER A 31 -15.548 3.213 -2.769 1.00 0.00 C ATOM 452 O SER A 31 -15.972 3.213 -1.614 1.00 0.00 O ATOM 453 CB SER A 31 -15.600 1.264 -4.341 1.00 0.00 C ATOM 454 OG SER A 31 -14.786 0.753 -5.382 1.00 0.00 O ATOM 0 H SER A 31 -14.661 0.159 -2.340 1.00 0.00 H new ATOM 0 HA SER A 31 -13.856 2.383 -3.790 1.00 0.00 H new ATOM 0 HB2 SER A 31 -16.131 0.445 -3.855 1.00 0.00 H new ATOM 0 HB3 SER A 31 -16.355 1.930 -4.759 1.00 0.00 H new ATOM 0 HG SER A 31 -15.345 0.273 -6.028 1.00 0.00 H new ATOM 460 N THR A 32 -15.744 4.225 -3.605 1.00 0.00 N ATOM 461 CA THR A 32 -16.484 5.408 -3.192 1.00 0.00 C ATOM 462 C THR A 32 -17.921 5.046 -2.867 1.00 0.00 C ATOM 463 O THR A 32 -18.566 5.679 -2.032 1.00 0.00 O ATOM 464 CB THR A 32 -16.448 6.475 -4.275 1.00 0.00 C ATOM 465 OG1 THR A 32 -15.271 6.365 -5.056 1.00 0.00 O ATOM 466 CG2 THR A 32 -16.511 7.883 -3.727 1.00 0.00 C ATOM 0 H THR A 32 -15.403 4.250 -4.566 1.00 0.00 H new ATOM 0 HA THR A 32 -16.009 5.809 -2.297 1.00 0.00 H new ATOM 0 HB THR A 32 -17.336 6.299 -4.882 1.00 0.00 H new ATOM 0 HG1 THR A 32 -15.354 5.604 -5.668 1.00 0.00 H new ATOM 0 HG21 THR A 32 -16.481 8.596 -4.551 1.00 0.00 H new ATOM 0 HG22 THR A 32 -17.437 8.014 -3.167 1.00 0.00 H new ATOM 0 HG23 THR A 32 -15.660 8.055 -3.068 1.00 0.00 H new ATOM 474 N ASP A 33 -18.406 4.012 -3.531 1.00 0.00 N ATOM 475 CA ASP A 33 -19.760 3.531 -3.328 1.00 0.00 C ATOM 476 C ASP A 33 -20.039 2.365 -4.264 1.00 0.00 C ATOM 477 O ASP A 33 -21.073 2.321 -4.932 1.00 0.00 O ATOM 478 CB ASP A 33 -20.774 4.655 -3.563 1.00 0.00 C ATOM 479 CG ASP A 33 -21.901 4.636 -2.550 1.00 0.00 C ATOM 480 OD1 ASP A 33 -21.617 4.451 -1.348 1.00 0.00 O ATOM 481 OD2 ASP A 33 -23.069 4.808 -2.959 1.00 0.00 O ATOM 0 H ASP A 33 -17.874 3.484 -4.223 1.00 0.00 H new ATOM 0 HA ASP A 33 -19.860 3.192 -2.297 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -20.264 5.617 -3.517 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -21.189 4.562 -4.567 1.00 0.00 H new ATOM 486 N GLY A 34 -19.100 1.425 -4.319 1.00 0.00 N ATOM 487 CA GLY A 34 -19.261 0.276 -5.192 1.00 0.00 C ATOM 488 C GLY A 34 -19.372 -1.029 -4.433 1.00 0.00 C ATOM 489 O GLY A 34 -19.020 -2.087 -4.955 1.00 0.00 O ATOM 0 H GLY A 34 -18.235 1.438 -3.778 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -20.153 0.412 -5.803 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -18.413 0.223 -5.874 1.00 0.00 H new ATOM 493 N ASP A 35 -19.860 -0.956 -3.198 1.00 0.00 N ATOM 494 CA ASP A 35 -20.013 -2.143 -2.361 1.00 0.00 C ATOM 495 C ASP A 35 -18.771 -3.021 -2.435 1.00 0.00 C ATOM 496 O ASP A 35 -18.849 -4.245 -2.336 1.00 0.00 O ATOM 497 CB ASP A 35 -21.249 -2.940 -2.782 1.00 0.00 C ATOM 498 CG ASP A 35 -21.906 -3.647 -1.614 1.00 0.00 C ATOM 499 OD1 ASP A 35 -21.175 -4.217 -0.776 1.00 0.00 O ATOM 500 OD2 ASP A 35 -23.153 -3.632 -1.536 1.00 0.00 O ATOM 0 H ASP A 35 -20.157 -0.087 -2.754 1.00 0.00 H new ATOM 0 HA ASP A 35 -20.142 -1.815 -1.329 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -21.970 -2.268 -3.248 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -20.965 -3.675 -3.535 1.00 0.00 H new ATOM 505 N LYS A 36 -17.627 -2.376 -2.608 1.00 0.00 N ATOM 506 CA LYS A 36 -16.358 -3.068 -2.696 1.00 0.00 C ATOM 507 C LYS A 36 -15.421 -2.593 -1.600 1.00 0.00 C ATOM 508 O LYS A 36 -15.328 -1.399 -1.331 1.00 0.00 O ATOM 509 CB LYS A 36 -15.711 -2.833 -4.056 1.00 0.00 C ATOM 510 CG LYS A 36 -16.166 -3.810 -5.125 1.00 0.00 C ATOM 511 CD LYS A 36 -14.985 -4.356 -5.908 1.00 0.00 C ATOM 512 CE LYS A 36 -15.352 -4.627 -7.357 1.00 0.00 C ATOM 513 NZ LYS A 36 -15.205 -3.411 -8.205 1.00 0.00 N ATOM 0 H LYS A 36 -17.556 -1.362 -2.691 1.00 0.00 H new ATOM 0 HA LYS A 36 -16.545 -4.135 -2.572 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -15.935 -1.818 -4.385 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -14.628 -2.902 -3.950 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -16.710 -4.633 -4.662 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -16.858 -3.313 -5.805 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -14.161 -3.644 -5.868 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -14.634 -5.277 -5.443 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -14.718 -5.422 -7.749 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -16.380 -4.984 -7.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -15.465 -3.638 -9.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -15.829 -2.660 -7.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -14.218 -3.084 -8.175 1.00 0.00 H new ATOM 527 N VAL A 37 -14.723 -3.529 -0.976 1.00 0.00 N ATOM 528 CA VAL A 37 -13.795 -3.192 0.086 1.00 0.00 C ATOM 529 C VAL A 37 -12.583 -4.111 0.076 1.00 0.00 C ATOM 530 O VAL A 37 -12.647 -5.246 -0.395 1.00 0.00 O ATOM 531 CB VAL A 37 -14.455 -3.261 1.479 1.00 0.00 C ATOM 532 CG1 VAL A 37 -13.646 -2.471 2.495 1.00 0.00 C ATOM 533 CG2 VAL A 37 -15.894 -2.761 1.433 1.00 0.00 C ATOM 0 H VAL A 37 -14.783 -4.525 -1.188 1.00 0.00 H new ATOM 0 HA VAL A 37 -13.480 -2.166 -0.105 1.00 0.00 H new ATOM 0 HB VAL A 37 -14.473 -4.306 1.789 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -14.128 -2.532 3.471 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -12.640 -2.885 2.561 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -13.589 -1.428 2.183 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -16.332 -2.822 2.429 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -15.909 -1.726 1.093 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -16.472 -3.378 0.744 1.00 0.00 H new ATOM 543 N HIS A 38 -11.482 -3.606 0.612 1.00 0.00 N ATOM 544 CA HIS A 38 -10.242 -4.363 0.689 1.00 0.00 C ATOM 545 C HIS A 38 -9.393 -3.860 1.850 1.00 0.00 C ATOM 546 O HIS A 38 -8.950 -2.711 1.856 1.00 0.00 O ATOM 547 CB HIS A 38 -9.461 -4.245 -0.622 1.00 0.00 C ATOM 548 CG HIS A 38 -9.829 -5.287 -1.632 1.00 0.00 C ATOM 549 ND1 HIS A 38 -9.941 -6.626 -1.325 1.00 0.00 N ATOM 550 CD2 HIS A 38 -10.111 -5.181 -2.953 1.00 0.00 C ATOM 551 CE1 HIS A 38 -10.276 -7.299 -2.412 1.00 0.00 C ATOM 552 NE2 HIS A 38 -10.385 -6.445 -3.413 1.00 0.00 N ATOM 0 H HIS A 38 -11.423 -2.666 1.003 1.00 0.00 H new ATOM 0 HA HIS A 38 -10.485 -5.412 0.856 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -9.633 -3.258 -1.051 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -8.395 -4.318 -0.408 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -10.119 -4.272 -3.535 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -10.434 -8.366 -2.471 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -10.633 -6.686 -4.373 1.00 0.00 H new ATOM 561 N THR A 39 -9.178 -4.722 2.835 1.00 0.00 N ATOM 562 CA THR A 39 -8.395 -4.364 4.002 1.00 0.00 C ATOM 563 C THR A 39 -7.088 -5.147 4.048 1.00 0.00 C ATOM 564 O THR A 39 -7.058 -6.341 3.749 1.00 0.00 O ATOM 565 CB THR A 39 -9.197 -4.621 5.279 1.00 0.00 C ATOM 566 OG1 THR A 39 -10.427 -3.920 5.248 1.00 0.00 O ATOM 567 CG2 THR A 39 -8.465 -4.212 6.538 1.00 0.00 C ATOM 0 H THR A 39 -9.538 -5.676 2.845 1.00 0.00 H new ATOM 0 HA THR A 39 -8.159 -3.302 3.933 1.00 0.00 H new ATOM 0 HB THR A 39 -9.358 -5.699 5.307 1.00 0.00 H new ATOM 0 HG1 THR A 39 -10.853 -3.967 6.130 1.00 0.00 H new ATOM 0 HG21 THR A 39 -9.090 -4.421 7.406 1.00 0.00 H new ATOM 0 HG22 THR A 39 -7.534 -4.774 6.617 1.00 0.00 H new ATOM 0 HG23 THR A 39 -8.243 -3.146 6.499 1.00 0.00 H new ATOM 575 N VAL A 40 -6.011 -4.471 4.429 1.00 0.00 N ATOM 576 CA VAL A 40 -4.704 -5.109 4.518 1.00 0.00 C ATOM 577 C VAL A 40 -4.134 -4.989 5.930 1.00 0.00 C ATOM 578 O VAL A 40 -4.285 -3.960 6.588 1.00 0.00 O ATOM 579 CB VAL A 40 -3.703 -4.511 3.503 1.00 0.00 C ATOM 580 CG1 VAL A 40 -4.374 -4.288 2.156 1.00 0.00 C ATOM 581 CG2 VAL A 40 -3.102 -3.214 4.027 1.00 0.00 C ATOM 0 H VAL A 40 -6.017 -3.483 4.681 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.848 -6.162 4.277 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.892 -5.226 3.368 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.653 -3.867 1.456 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.741 -5.239 1.771 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -5.209 -3.598 2.275 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.402 -2.815 3.293 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.897 -2.489 4.201 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.577 -3.408 4.962 1.00 0.00 H new ATOM 591 N VAL A 41 -3.477 -6.048 6.385 1.00 0.00 N ATOM 592 CA VAL A 41 -2.880 -6.067 7.715 1.00 0.00 C ATOM 593 C VAL A 41 -1.362 -6.149 7.623 1.00 0.00 C ATOM 594 O VAL A 41 -0.821 -6.875 6.791 1.00 0.00 O ATOM 595 CB VAL A 41 -3.397 -7.255 8.549 1.00 0.00 C ATOM 596 CG1 VAL A 41 -3.012 -7.091 10.011 1.00 0.00 C ATOM 597 CG2 VAL A 41 -4.905 -7.399 8.397 1.00 0.00 C ATOM 0 H VAL A 41 -3.344 -6.907 5.852 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.168 -5.139 8.208 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.930 -8.167 8.177 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.386 -7.940 10.583 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.927 -7.045 10.098 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.447 -6.171 10.401 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.252 -8.243 8.993 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.394 -6.487 8.740 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.150 -7.570 7.349 1.00 0.00 H new ATOM 607 N LEU A 42 -0.676 -5.398 8.477 1.00 0.00 N ATOM 608 CA LEU A 42 0.781 -5.382 8.482 1.00 0.00 C ATOM 609 C LEU A 42 1.357 -6.791 8.537 1.00 0.00 C ATOM 610 O LEU A 42 2.425 -7.057 7.987 1.00 0.00 O ATOM 611 CB LEU A 42 1.290 -4.566 9.662 1.00 0.00 C ATOM 612 CG LEU A 42 1.879 -3.208 9.280 1.00 0.00 C ATOM 613 CD1 LEU A 42 1.315 -2.110 10.162 1.00 0.00 C ATOM 614 CD2 LEU A 42 3.397 -3.239 9.367 1.00 0.00 C ATOM 0 H LEU A 42 -1.106 -4.792 9.175 1.00 0.00 H new ATOM 0 HA LEU A 42 1.112 -4.921 7.551 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.469 -4.409 10.361 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.050 -5.144 10.187 1.00 0.00 H new ATOM 0 HG LEU A 42 1.599 -2.993 8.249 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.748 -1.152 9.873 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.232 -2.069 10.044 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.559 -2.319 11.204 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.797 -2.263 9.091 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.698 -3.480 10.386 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.785 -3.996 8.686 1.00 0.00 H new ATOM 626 N SER A 43 0.640 -7.688 9.199 1.00 0.00 N ATOM 627 CA SER A 43 1.075 -9.077 9.323 1.00 0.00 C ATOM 628 C SER A 43 1.538 -9.625 7.973 1.00 0.00 C ATOM 629 O SER A 43 2.395 -10.507 7.911 1.00 0.00 O ATOM 630 CB SER A 43 -0.057 -9.942 9.878 1.00 0.00 C ATOM 631 OG SER A 43 -0.001 -10.010 11.292 1.00 0.00 O ATOM 0 H SER A 43 -0.246 -7.481 9.660 1.00 0.00 H new ATOM 0 HA SER A 43 1.916 -9.107 10.015 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.018 -9.531 9.568 1.00 0.00 H new ATOM 0 HB3 SER A 43 0.010 -10.946 9.460 1.00 0.00 H new ATOM 0 HG SER A 43 -0.736 -10.567 11.622 1.00 0.00 H new ATOM 637 N THR A 44 0.974 -9.085 6.895 1.00 0.00 N ATOM 638 CA THR A 44 1.336 -9.506 5.547 1.00 0.00 C ATOM 639 C THR A 44 2.210 -8.447 4.880 1.00 0.00 C ATOM 640 O THR A 44 2.979 -8.744 3.968 1.00 0.00 O ATOM 641 CB THR A 44 0.074 -9.763 4.718 1.00 0.00 C ATOM 642 OG1 THR A 44 0.343 -10.661 3.657 1.00 0.00 O ATOM 643 CG2 THR A 44 -0.529 -8.510 4.118 1.00 0.00 C ATOM 0 H THR A 44 0.264 -8.354 6.931 1.00 0.00 H new ATOM 0 HA THR A 44 1.905 -10.434 5.608 1.00 0.00 H new ATOM 0 HB THR A 44 -0.644 -10.184 5.422 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.476 -10.813 3.141 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.419 -8.772 3.546 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.802 -7.819 4.916 1.00 0.00 H new ATOM 0 HG23 THR A 44 0.199 -8.035 3.460 1.00 0.00 H new ATOM 651 N ILE A 45 2.077 -7.212 5.354 1.00 0.00 N ATOM 652 CA ILE A 45 2.844 -6.086 4.830 1.00 0.00 C ATOM 653 C ILE A 45 3.664 -5.440 5.947 1.00 0.00 C ATOM 654 O ILE A 45 3.110 -4.828 6.858 1.00 0.00 O ATOM 655 CB ILE A 45 1.914 -5.034 4.165 1.00 0.00 C ATOM 656 CG1 ILE A 45 2.616 -3.667 4.025 1.00 0.00 C ATOM 657 CG2 ILE A 45 0.604 -4.904 4.933 1.00 0.00 C ATOM 658 CD1 ILE A 45 2.093 -2.589 4.955 1.00 0.00 C ATOM 0 H ILE A 45 1.438 -6.964 6.109 1.00 0.00 H new ATOM 0 HA ILE A 45 3.523 -6.465 4.066 1.00 0.00 H new ATOM 0 HB ILE A 45 1.682 -5.385 3.160 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.682 -3.801 4.209 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.510 -3.323 2.996 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.030 -4.162 4.448 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.092 -5.866 4.945 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.812 -4.591 5.956 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.644 -1.664 4.786 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.034 -2.421 4.758 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.224 -2.906 5.990 1.00 0.00 H new ATOM 670 N ASP A 46 4.987 -5.590 5.882 1.00 0.00 N ATOM 671 CA ASP A 46 5.857 -5.026 6.909 1.00 0.00 C ATOM 672 C ASP A 46 6.728 -3.898 6.375 1.00 0.00 C ATOM 673 O ASP A 46 7.787 -3.603 6.928 1.00 0.00 O ATOM 674 CB ASP A 46 6.731 -6.117 7.529 1.00 0.00 C ATOM 675 CG ASP A 46 6.898 -5.944 9.026 1.00 0.00 C ATOM 676 OD1 ASP A 46 6.995 -4.785 9.482 1.00 0.00 O ATOM 677 OD2 ASP A 46 6.933 -6.966 9.742 1.00 0.00 O ATOM 0 H ASP A 46 5.473 -6.091 5.138 1.00 0.00 H new ATOM 0 HA ASP A 46 5.210 -4.602 7.676 1.00 0.00 H new ATOM 0 HB2 ASP A 46 6.288 -7.092 7.326 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.712 -6.107 7.053 1.00 0.00 H new ATOM 682 N LYS A 47 6.267 -3.260 5.313 1.00 0.00 N ATOM 683 CA LYS A 47 6.995 -2.143 4.717 1.00 0.00 C ATOM 684 C LYS A 47 6.070 -1.279 3.867 1.00 0.00 C ATOM 685 O LYS A 47 5.142 -1.779 3.235 1.00 0.00 O ATOM 686 CB LYS A 47 8.181 -2.632 3.873 1.00 0.00 C ATOM 687 CG LYS A 47 8.546 -4.091 4.092 1.00 0.00 C ATOM 688 CD LYS A 47 9.636 -4.542 3.134 1.00 0.00 C ATOM 689 CE LYS A 47 11.014 -4.438 3.766 1.00 0.00 C ATOM 690 NZ LYS A 47 11.404 -5.696 4.460 1.00 0.00 N ATOM 0 H LYS A 47 5.392 -3.493 4.843 1.00 0.00 H new ATOM 0 HA LYS A 47 7.385 -1.538 5.536 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.948 -2.482 2.819 1.00 0.00 H new ATOM 0 HB3 LYS A 47 9.051 -2.015 4.098 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.881 -4.233 5.119 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.661 -4.713 3.957 1.00 0.00 H new ATOM 0 HD2 LYS A 47 9.451 -5.572 2.831 1.00 0.00 H new ATOM 0 HD3 LYS A 47 9.602 -3.933 2.231 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.750 -4.205 2.996 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.025 -3.612 4.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.350 -5.583 4.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.717 -5.905 5.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 11.418 -6.480 3.776 1.00 0.00 H new ATOM 704 N LEU A 48 6.335 0.023 3.862 1.00 0.00 N ATOM 705 CA LEU A 48 5.534 0.969 3.093 1.00 0.00 C ATOM 706 C LEU A 48 6.430 1.820 2.194 1.00 0.00 C ATOM 707 O LEU A 48 7.621 1.978 2.462 1.00 0.00 O ATOM 708 CB LEU A 48 4.734 1.872 4.034 1.00 0.00 C ATOM 709 CG LEU A 48 5.579 2.755 4.956 1.00 0.00 C ATOM 710 CD1 LEU A 48 5.584 4.194 4.464 1.00 0.00 C ATOM 711 CD2 LEU A 48 5.063 2.681 6.386 1.00 0.00 C ATOM 0 H LEU A 48 7.101 0.449 4.384 1.00 0.00 H new ATOM 0 HA LEU A 48 4.842 0.406 2.467 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.086 2.513 3.435 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.085 1.248 4.648 1.00 0.00 H new ATOM 0 HG LEU A 48 6.604 2.385 4.940 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.190 4.805 5.133 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.002 4.233 3.458 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.563 4.577 4.448 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.676 3.315 7.027 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.029 3.024 6.418 1.00 0.00 H new ATOM 0 HD23 LEU A 48 5.114 1.651 6.738 1.00 0.00 H new ATOM 723 N GLN A 49 5.851 2.368 1.131 1.00 0.00 N ATOM 724 CA GLN A 49 6.597 3.206 0.195 1.00 0.00 C ATOM 725 C GLN A 49 5.752 4.400 -0.243 1.00 0.00 C ATOM 726 O GLN A 49 4.671 4.232 -0.806 1.00 0.00 O ATOM 727 CB GLN A 49 7.020 2.387 -1.027 1.00 0.00 C ATOM 728 CG GLN A 49 8.494 2.528 -1.371 1.00 0.00 C ATOM 729 CD GLN A 49 9.210 1.192 -1.435 1.00 0.00 C ATOM 730 OE1 GLN A 49 9.843 0.767 -0.468 1.00 0.00 O ATOM 731 NE2 GLN A 49 9.114 0.523 -2.578 1.00 0.00 N ATOM 0 H GLN A 49 4.866 2.248 0.895 1.00 0.00 H new ATOM 0 HA GLN A 49 7.490 3.576 0.699 1.00 0.00 H new ATOM 0 HB2 GLN A 49 6.797 1.336 -0.845 1.00 0.00 H new ATOM 0 HB3 GLN A 49 6.424 2.696 -1.886 1.00 0.00 H new ATOM 0 HG2 GLN A 49 8.592 3.035 -2.331 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.978 3.160 -0.626 1.00 0.00 H new ATOM 0 HE21 GLN A 49 8.579 0.913 -3.354 1.00 0.00 H new ATOM 0 HE22 GLN A 49 9.575 -0.381 -2.680 1.00 0.00 H new ATOM 740 N ALA A 50 6.248 5.604 0.022 1.00 0.00 N ATOM 741 CA ALA A 50 5.533 6.821 -0.343 1.00 0.00 C ATOM 742 C ALA A 50 6.407 7.738 -1.193 1.00 0.00 C ATOM 743 O ALA A 50 7.625 7.570 -1.253 1.00 0.00 O ATOM 744 CB ALA A 50 5.059 7.550 0.906 1.00 0.00 C ATOM 0 H ALA A 50 7.141 5.763 0.488 1.00 0.00 H new ATOM 0 HA ALA A 50 4.664 6.537 -0.937 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.527 8.457 0.618 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.391 6.902 1.474 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.919 7.814 1.522 1.00 0.00 H new ATOM 750 N THR A 51 5.777 8.706 -1.849 1.00 0.00 N ATOM 751 CA THR A 51 6.497 9.650 -2.696 1.00 0.00 C ATOM 752 C THR A 51 7.090 10.786 -1.864 1.00 0.00 C ATOM 753 O THR A 51 6.681 11.011 -0.725 1.00 0.00 O ATOM 754 CB THR A 51 5.567 10.219 -3.772 1.00 0.00 C ATOM 755 OG1 THR A 51 4.227 9.822 -3.543 1.00 0.00 O ATOM 756 CG2 THR A 51 5.941 9.784 -5.173 1.00 0.00 C ATOM 0 H THR A 51 4.769 8.858 -1.811 1.00 0.00 H new ATOM 0 HA THR A 51 7.313 9.114 -3.180 1.00 0.00 H new ATOM 0 HB THR A 51 5.673 11.302 -3.701 1.00 0.00 H new ATOM 0 HG1 THR A 51 3.651 10.198 -4.241 1.00 0.00 H new ATOM 0 HG21 THR A 51 5.244 10.221 -5.888 1.00 0.00 H new ATOM 0 HG22 THR A 51 6.952 10.120 -5.401 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.896 8.697 -5.241 1.00 0.00 H new ATOM 764 N PRO A 52 8.066 11.519 -2.427 1.00 0.00 N ATOM 765 CA PRO A 52 8.714 12.634 -1.734 1.00 0.00 C ATOM 766 C PRO A 52 7.816 13.864 -1.649 1.00 0.00 C ATOM 767 O PRO A 52 6.836 13.980 -2.385 1.00 0.00 O ATOM 768 CB PRO A 52 9.938 12.923 -2.602 1.00 0.00 C ATOM 769 CG PRO A 52 9.540 12.488 -3.970 1.00 0.00 C ATOM 770 CD PRO A 52 8.613 11.317 -3.783 1.00 0.00 C ATOM 0 HA PRO A 52 8.956 12.389 -0.700 1.00 0.00 H new ATOM 0 HB2 PRO A 52 10.197 13.982 -2.582 1.00 0.00 H new ATOM 0 HB3 PRO A 52 10.812 12.375 -2.250 1.00 0.00 H new ATOM 0 HG2 PRO A 52 9.043 13.296 -4.507 1.00 0.00 H new ATOM 0 HG3 PRO A 52 10.413 12.204 -4.558 1.00 0.00 H new ATOM 0 HD2 PRO A 52 7.825 11.306 -4.536 1.00 0.00 H new ATOM 0 HD3 PRO A 52 9.144 10.369 -3.864 1.00 0.00 H new ATOM 778 N ALA A 53 8.156 14.778 -0.748 1.00 0.00 N ATOM 779 CA ALA A 53 7.380 15.999 -0.566 1.00 0.00 C ATOM 780 C ALA A 53 7.417 16.868 -1.819 1.00 0.00 C ATOM 781 O ALA A 53 6.473 17.605 -2.103 1.00 0.00 O ATOM 782 CB ALA A 53 7.897 16.778 0.634 1.00 0.00 C ATOM 0 H ALA A 53 8.965 14.697 -0.132 1.00 0.00 H new ATOM 0 HA ALA A 53 6.343 15.716 -0.384 1.00 0.00 H new ATOM 0 HB1 ALA A 53 7.309 17.687 0.758 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.811 16.164 1.531 1.00 0.00 H new ATOM 0 HB3 ALA A 53 8.943 17.041 0.474 1.00 0.00 H new ATOM 788 N SER A 54 8.514 16.777 -2.565 1.00 0.00 N ATOM 789 CA SER A 54 8.673 17.557 -3.788 1.00 0.00 C ATOM 790 C SER A 54 7.731 17.065 -4.882 1.00 0.00 C ATOM 791 O SER A 54 7.388 17.809 -5.800 1.00 0.00 O ATOM 792 CB SER A 54 10.121 17.490 -4.276 1.00 0.00 C ATOM 793 OG SER A 54 10.600 16.156 -4.271 1.00 0.00 O ATOM 0 H SER A 54 9.305 16.172 -2.344 1.00 0.00 H new ATOM 0 HA SER A 54 8.420 18.592 -3.560 1.00 0.00 H new ATOM 0 HB2 SER A 54 10.188 17.900 -5.284 1.00 0.00 H new ATOM 0 HB3 SER A 54 10.752 18.109 -3.638 1.00 0.00 H new ATOM 0 HG SER A 54 11.527 16.140 -4.589 1.00 0.00 H new ATOM 799 N SER A 55 7.318 15.808 -4.778 1.00 0.00 N ATOM 800 CA SER A 55 6.418 15.215 -5.759 1.00 0.00 C ATOM 801 C SER A 55 5.048 15.883 -5.717 1.00 0.00 C ATOM 802 O SER A 55 4.355 15.837 -4.700 1.00 0.00 O ATOM 803 CB SER A 55 6.271 13.713 -5.506 1.00 0.00 C ATOM 804 OG SER A 55 5.443 13.463 -4.384 1.00 0.00 O ATOM 0 H SER A 55 7.592 15.179 -4.023 1.00 0.00 H new ATOM 0 HA SER A 55 6.849 15.371 -6.748 1.00 0.00 H new ATOM 0 HB2 SER A 55 5.848 13.232 -6.388 1.00 0.00 H new ATOM 0 HB3 SER A 55 7.254 13.271 -5.342 1.00 0.00 H new ATOM 0 HG SER A 55 5.660 14.098 -3.670 1.00 0.00 H new ATOM 810 N GLU A 56 4.661 16.501 -6.828 1.00 0.00 N ATOM 811 CA GLU A 56 3.371 17.176 -6.917 1.00 0.00 C ATOM 812 C GLU A 56 2.231 16.191 -6.680 1.00 0.00 C ATOM 813 O GLU A 56 1.240 16.516 -6.026 1.00 0.00 O ATOM 814 CB GLU A 56 3.211 17.840 -8.285 1.00 0.00 C ATOM 815 CG GLU A 56 4.423 18.652 -8.713 1.00 0.00 C ATOM 816 CD GLU A 56 5.277 17.929 -9.737 1.00 0.00 C ATOM 817 OE1 GLU A 56 4.703 17.295 -10.647 1.00 0.00 O ATOM 818 OE2 GLU A 56 6.519 17.998 -9.628 1.00 0.00 O ATOM 0 H GLU A 56 5.222 16.548 -7.679 1.00 0.00 H new ATOM 0 HA GLU A 56 3.334 17.944 -6.144 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.017 17.071 -9.032 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.337 18.491 -8.264 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.090 19.603 -9.129 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.029 18.882 -7.837 1.00 0.00 H new ATOM 825 N LYS A 57 2.382 14.983 -7.214 1.00 0.00 N ATOM 826 CA LYS A 57 1.370 13.946 -7.061 1.00 0.00 C ATOM 827 C LYS A 57 1.185 13.586 -5.589 1.00 0.00 C ATOM 828 O LYS A 57 1.616 14.324 -4.703 1.00 0.00 O ATOM 829 CB LYS A 57 1.765 12.704 -7.866 1.00 0.00 C ATOM 830 CG LYS A 57 3.017 12.014 -7.347 1.00 0.00 C ATOM 831 CD LYS A 57 2.866 10.502 -7.358 1.00 0.00 C ATOM 832 CE LYS A 57 4.158 9.815 -7.773 1.00 0.00 C ATOM 833 NZ LYS A 57 4.061 9.229 -9.138 1.00 0.00 N ATOM 0 H LYS A 57 3.197 14.699 -7.757 1.00 0.00 H new ATOM 0 HA LYS A 57 0.423 14.328 -7.441 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.938 11.995 -7.853 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.923 12.990 -8.906 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.872 12.300 -7.960 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.226 12.352 -6.332 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.572 10.158 -6.367 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.067 10.220 -8.043 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.977 10.534 -7.744 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.398 9.029 -7.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.676 8.392 -9.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.077 8.951 -9.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.363 9.934 -9.841 1.00 0.00 H new ATOM 847 N MET A 58 0.543 12.450 -5.331 1.00 0.00 N ATOM 848 CA MET A 58 0.307 12.002 -3.965 1.00 0.00 C ATOM 849 C MET A 58 -0.203 10.564 -3.941 1.00 0.00 C ATOM 850 O MET A 58 -1.389 10.315 -4.150 1.00 0.00 O ATOM 851 CB MET A 58 -0.699 12.922 -3.269 1.00 0.00 C ATOM 852 CG MET A 58 -1.920 13.250 -4.118 1.00 0.00 C ATOM 853 SD MET A 58 -2.366 14.996 -4.050 1.00 0.00 S ATOM 854 CE MET A 58 -3.066 15.230 -5.682 1.00 0.00 C ATOM 0 H MET A 58 0.178 11.825 -6.050 1.00 0.00 H new ATOM 0 HA MET A 58 1.256 12.041 -3.430 1.00 0.00 H new ATOM 0 HB2 MET A 58 -1.028 12.451 -2.343 1.00 0.00 H new ATOM 0 HB3 MET A 58 -0.199 13.851 -2.994 1.00 0.00 H new ATOM 0 HG2 MET A 58 -1.724 12.969 -5.153 1.00 0.00 H new ATOM 0 HG3 MET A 58 -2.765 12.650 -3.780 1.00 0.00 H new ATOM 0 HE1 MET A 58 -3.390 16.265 -5.794 1.00 0.00 H new ATOM 0 HE2 MET A 58 -2.314 15.001 -6.437 1.00 0.00 H new ATOM 0 HE3 MET A 58 -3.921 14.566 -5.810 1.00 0.00 H new ATOM 864 N MET A 59 0.699 9.621 -3.683 1.00 0.00 N ATOM 865 CA MET A 59 0.329 8.211 -3.628 1.00 0.00 C ATOM 866 C MET A 59 1.410 7.379 -2.942 1.00 0.00 C ATOM 867 O MET A 59 2.580 7.760 -2.921 1.00 0.00 O ATOM 868 CB MET A 59 0.053 7.681 -5.036 1.00 0.00 C ATOM 869 CG MET A 59 1.145 7.981 -6.040 1.00 0.00 C ATOM 870 SD MET A 59 1.259 6.735 -7.341 1.00 0.00 S ATOM 871 CE MET A 59 3.027 6.705 -7.640 1.00 0.00 C ATOM 0 H MET A 59 1.687 9.807 -3.510 1.00 0.00 H new ATOM 0 HA MET A 59 -0.581 8.123 -3.035 1.00 0.00 H new ATOM 0 HB2 MET A 59 -0.090 6.602 -4.984 1.00 0.00 H new ATOM 0 HB3 MET A 59 -0.883 8.109 -5.396 1.00 0.00 H new ATOM 0 HG2 MET A 59 0.960 8.956 -6.492 1.00 0.00 H new ATOM 0 HG3 MET A 59 2.101 8.047 -5.521 1.00 0.00 H new ATOM 0 HE1 MET A 59 3.224 6.957 -8.682 1.00 0.00 H new ATOM 0 HE2 MET A 59 3.518 7.431 -6.992 1.00 0.00 H new ATOM 0 HE3 MET A 59 3.415 5.709 -7.428 1.00 0.00 H new ATOM 881 N LEU A 60 1.008 6.241 -2.376 1.00 0.00 N ATOM 882 CA LEU A 60 1.943 5.354 -1.685 1.00 0.00 C ATOM 883 C LEU A 60 1.561 3.886 -1.874 1.00 0.00 C ATOM 884 O LEU A 60 0.418 3.566 -2.200 1.00 0.00 O ATOM 885 CB LEU A 60 1.994 5.690 -0.193 1.00 0.00 C ATOM 886 CG LEU A 60 0.666 6.138 0.418 1.00 0.00 C ATOM 887 CD1 LEU A 60 0.679 5.943 1.925 1.00 0.00 C ATOM 888 CD2 LEU A 60 0.386 7.591 0.067 1.00 0.00 C ATOM 0 H LEU A 60 0.042 5.912 -2.382 1.00 0.00 H new ATOM 0 HA LEU A 60 2.930 5.509 -2.122 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.348 4.813 0.349 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.731 6.478 -0.039 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.132 5.523 0.002 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.274 6.267 2.342 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.836 4.889 2.154 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.485 6.533 2.361 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.563 7.896 0.509 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.186 8.220 0.456 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.333 7.700 -1.016 1.00 0.00 H new ATOM 900 N ARG A 61 2.529 2.997 -1.655 1.00 0.00 N ATOM 901 CA ARG A 61 2.307 1.559 -1.787 1.00 0.00 C ATOM 902 C ARG A 61 2.907 0.813 -0.600 1.00 0.00 C ATOM 903 O ARG A 61 3.969 1.178 -0.100 1.00 0.00 O ATOM 904 CB ARG A 61 2.910 1.028 -3.093 1.00 0.00 C ATOM 905 CG ARG A 61 4.387 0.674 -2.995 1.00 0.00 C ATOM 906 CD ARG A 61 4.896 0.039 -4.278 1.00 0.00 C ATOM 907 NE ARG A 61 6.249 -0.490 -4.126 1.00 0.00 N ATOM 908 CZ ARG A 61 6.823 -1.321 -4.993 1.00 0.00 C ATOM 909 NH1 ARG A 61 6.165 -1.721 -6.074 1.00 0.00 N ATOM 910 NH2 ARG A 61 8.057 -1.754 -4.778 1.00 0.00 N ATOM 0 H ARG A 61 3.479 3.250 -1.384 1.00 0.00 H new ATOM 0 HA ARG A 61 1.231 1.388 -1.807 1.00 0.00 H new ATOM 0 HB2 ARG A 61 2.355 0.143 -3.404 1.00 0.00 H new ATOM 0 HB3 ARG A 61 2.778 1.778 -3.873 1.00 0.00 H new ATOM 0 HG2 ARG A 61 4.964 1.573 -2.780 1.00 0.00 H new ATOM 0 HG3 ARG A 61 4.543 -0.012 -2.162 1.00 0.00 H new ATOM 0 HD2 ARG A 61 4.223 -0.765 -4.576 1.00 0.00 H new ATOM 0 HD3 ARG A 61 4.883 0.779 -5.079 1.00 0.00 H new ATOM 0 HE ARG A 61 6.786 -0.206 -3.307 1.00 0.00 H new ATOM 0 HH11 ARG A 61 5.215 -1.392 -6.244 1.00 0.00 H new ATOM 0 HH12 ARG A 61 6.610 -2.358 -6.735 1.00 0.00 H new ATOM 0 HH21 ARG A 61 8.567 -1.450 -3.948 1.00 0.00 H new ATOM 0 HH22 ARG A 61 8.497 -2.391 -5.442 1.00 0.00 H new ATOM 924 N LEU A 62 2.231 -0.239 -0.162 1.00 0.00 N ATOM 925 CA LEU A 62 2.714 -1.037 0.957 1.00 0.00 C ATOM 926 C LEU A 62 3.222 -2.382 0.476 1.00 0.00 C ATOM 927 O LEU A 62 2.605 -3.043 -0.359 1.00 0.00 O ATOM 928 CB LEU A 62 1.633 -1.216 2.026 1.00 0.00 C ATOM 929 CG LEU A 62 0.430 -0.275 1.917 1.00 0.00 C ATOM 930 CD1 LEU A 62 -0.794 -0.900 2.569 1.00 0.00 C ATOM 931 CD2 LEU A 62 0.746 1.072 2.551 1.00 0.00 C ATOM 0 H LEU A 62 1.349 -0.560 -0.562 1.00 0.00 H new ATOM 0 HA LEU A 62 3.544 -0.498 1.414 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.272 -2.244 1.983 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.091 -1.079 3.006 1.00 0.00 H new ATOM 0 HG LEU A 62 0.213 -0.113 0.861 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.640 -0.218 2.483 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.032 -1.839 2.070 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.588 -1.091 3.622 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.121 1.727 2.464 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.989 0.930 3.604 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.596 1.524 2.040 1.00 0.00 H new ATOM 943 N ILE A 63 4.373 -2.752 1.003 1.00 0.00 N ATOM 944 CA ILE A 63 5.036 -3.989 0.647 1.00 0.00 C ATOM 945 C ILE A 63 4.579 -5.152 1.527 1.00 0.00 C ATOM 946 O ILE A 63 4.488 -5.022 2.743 1.00 0.00 O ATOM 947 CB ILE A 63 6.558 -3.791 0.771 1.00 0.00 C ATOM 948 CG1 ILE A 63 7.162 -3.428 -0.581 1.00 0.00 C ATOM 949 CG2 ILE A 63 7.221 -5.015 1.352 1.00 0.00 C ATOM 950 CD1 ILE A 63 7.285 -1.936 -0.785 1.00 0.00 C ATOM 0 H ILE A 63 4.877 -2.198 1.695 1.00 0.00 H new ATOM 0 HA ILE A 63 4.772 -4.242 -0.380 1.00 0.00 H new ATOM 0 HB ILE A 63 6.738 -2.964 1.457 1.00 0.00 H new ATOM 0 HG12 ILE A 63 8.148 -3.885 -0.668 1.00 0.00 H new ATOM 0 HG13 ILE A 63 6.545 -3.849 -1.375 1.00 0.00 H new ATOM 0 HG21 ILE A 63 8.295 -4.846 1.428 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.814 -5.213 2.344 1.00 0.00 H new ATOM 0 HG23 ILE A 63 7.033 -5.872 0.705 1.00 0.00 H new ATOM 0 HD11 ILE A 63 7.721 -1.737 -1.764 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.297 -1.478 -0.728 1.00 0.00 H new ATOM 0 HD13 ILE A 63 7.926 -1.514 -0.010 1.00 0.00 H new ATOM 962 N GLY A 64 4.312 -6.298 0.903 1.00 0.00 N ATOM 963 CA GLY A 64 3.883 -7.472 1.647 1.00 0.00 C ATOM 964 C GLY A 64 5.045 -8.223 2.277 1.00 0.00 C ATOM 965 O GLY A 64 5.036 -9.452 2.332 1.00 0.00 O ATOM 0 H GLY A 64 4.385 -6.434 -0.105 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.186 -7.168 2.428 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.341 -8.142 0.980 1.00 0.00 H new ATOM 969 N LYS A 65 6.041 -7.472 2.749 1.00 0.00 N ATOM 970 CA LYS A 65 7.242 -8.024 3.381 1.00 0.00 C ATOM 971 C LYS A 65 7.742 -9.285 2.679 1.00 0.00 C ATOM 972 O LYS A 65 7.168 -9.734 1.688 1.00 0.00 O ATOM 973 CB LYS A 65 7.012 -8.297 4.872 1.00 0.00 C ATOM 974 CG LYS A 65 5.607 -8.761 5.221 1.00 0.00 C ATOM 975 CD LYS A 65 5.401 -10.228 4.879 1.00 0.00 C ATOM 976 CE LYS A 65 5.730 -11.127 6.059 1.00 0.00 C ATOM 977 NZ LYS A 65 5.288 -12.530 5.829 1.00 0.00 N ATOM 0 H LYS A 65 6.037 -6.453 2.703 1.00 0.00 H new ATOM 0 HA LYS A 65 8.019 -7.266 3.282 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.723 -9.054 5.203 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.230 -7.388 5.432 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.426 -8.606 6.285 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.879 -8.155 4.682 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.367 -10.390 4.574 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.029 -10.496 4.030 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.805 -11.110 6.240 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.250 -10.738 6.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.531 -13.111 6.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.259 -12.550 5.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.765 -12.911 4.987 1.00 0.00 H new ATOM 991 N VAL A 66 8.839 -9.839 3.181 1.00 0.00 N ATOM 992 CA VAL A 66 9.427 -11.021 2.595 1.00 0.00 C ATOM 993 C VAL A 66 10.127 -11.875 3.649 1.00 0.00 C ATOM 994 O VAL A 66 10.420 -11.406 4.748 1.00 0.00 O ATOM 995 CB VAL A 66 10.430 -10.636 1.511 1.00 0.00 C ATOM 996 CG1 VAL A 66 10.844 -11.849 0.691 1.00 0.00 C ATOM 997 CG2 VAL A 66 9.864 -9.541 0.616 1.00 0.00 C ATOM 0 H VAL A 66 9.336 -9.481 3.997 1.00 0.00 H new ATOM 0 HA VAL A 66 8.618 -11.604 2.155 1.00 0.00 H new ATOM 0 HB VAL A 66 11.322 -10.246 2.002 1.00 0.00 H new ATOM 0 HG11 VAL A 66 11.559 -11.545 -0.073 1.00 0.00 H new ATOM 0 HG12 VAL A 66 11.305 -12.590 1.344 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.965 -12.283 0.214 1.00 0.00 H new ATOM 0 HG21 VAL A 66 10.596 -9.282 -0.149 1.00 0.00 H new ATOM 0 HG22 VAL A 66 8.951 -9.897 0.139 1.00 0.00 H new ATOM 0 HG23 VAL A 66 9.640 -8.659 1.217 1.00 0.00 H new ATOM 1311 N ARG A 86 2.890 -6.718 -2.883 1.00 0.00 N ATOM 1312 CA ARG A 86 2.693 -5.362 -2.381 1.00 0.00 C ATOM 1313 C ARG A 86 1.454 -4.729 -3.012 1.00 0.00 C ATOM 1314 O ARG A 86 0.970 -5.191 -4.046 1.00 0.00 O ATOM 1315 CB ARG A 86 3.937 -4.506 -2.646 1.00 0.00 C ATOM 1316 CG ARG A 86 4.156 -4.155 -4.107 1.00 0.00 C ATOM 1317 CD ARG A 86 4.692 -5.339 -4.896 1.00 0.00 C ATOM 1318 NE ARG A 86 5.698 -4.936 -5.876 1.00 0.00 N ATOM 1319 CZ ARG A 86 6.973 -4.697 -5.575 1.00 0.00 C ATOM 1320 NH1 ARG A 86 7.400 -4.813 -4.324 1.00 0.00 N ATOM 1321 NH2 ARG A 86 7.822 -4.340 -6.528 1.00 0.00 N ATOM 0 HA ARG A 86 2.536 -5.412 -1.304 1.00 0.00 H new ATOM 0 HB2 ARG A 86 3.858 -3.583 -2.071 1.00 0.00 H new ATOM 0 HB3 ARG A 86 4.814 -5.037 -2.277 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.216 -3.821 -4.546 1.00 0.00 H new ATOM 0 HG3 ARG A 86 4.856 -3.322 -4.180 1.00 0.00 H new ATOM 0 HD2 ARG A 86 5.126 -6.065 -4.209 1.00 0.00 H new ATOM 0 HD3 ARG A 86 3.868 -5.837 -5.407 1.00 0.00 H new ATOM 0 HE ARG A 86 5.407 -4.832 -6.848 1.00 0.00 H new ATOM 0 HH11 ARG A 86 6.750 -5.087 -3.587 1.00 0.00 H new ATOM 0 HH12 ARG A 86 8.378 -4.629 -4.100 1.00 0.00 H new ATOM 0 HH21 ARG A 86 7.499 -4.248 -7.491 1.00 0.00 H new ATOM 0 HH22 ARG A 86 8.799 -4.157 -6.298 1.00 0.00 H new ATOM 1335 N HIS A 87 0.937 -3.678 -2.381 1.00 0.00 N ATOM 1336 CA HIS A 87 -0.252 -2.994 -2.879 1.00 0.00 C ATOM 1337 C HIS A 87 0.045 -1.528 -3.165 1.00 0.00 C ATOM 1338 O HIS A 87 0.742 -0.866 -2.397 1.00 0.00 O ATOM 1339 CB HIS A 87 -1.395 -3.105 -1.868 1.00 0.00 C ATOM 1340 CG HIS A 87 -1.526 -4.466 -1.255 1.00 0.00 C ATOM 1341 ND1 HIS A 87 -2.507 -5.364 -1.618 1.00 0.00 N ATOM 1342 CD2 HIS A 87 -0.793 -5.080 -0.296 1.00 0.00 C ATOM 1343 CE1 HIS A 87 -2.372 -6.471 -0.909 1.00 0.00 C ATOM 1344 NE2 HIS A 87 -1.339 -6.324 -0.100 1.00 0.00 N ATOM 0 H HIS A 87 1.323 -3.282 -1.524 1.00 0.00 H new ATOM 0 HA HIS A 87 -0.552 -3.476 -3.810 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -1.240 -2.373 -1.076 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -2.332 -2.847 -2.362 1.00 0.00 H new ATOM 0 HD2 HIS A 87 0.062 -4.668 0.219 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -3.000 -7.347 -0.979 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -1.001 -7.022 0.563 1.00 0.00 H new ATOM 1353 N MET A 88 -0.486 -1.028 -4.275 1.00 0.00 N ATOM 1354 CA MET A 88 -0.272 0.359 -4.667 1.00 0.00 C ATOM 1355 C MET A 88 -1.600 1.070 -4.922 1.00 0.00 C ATOM 1356 O MET A 88 -2.484 0.539 -5.595 1.00 0.00 O ATOM 1357 CB MET A 88 0.630 0.410 -5.912 1.00 0.00 C ATOM 1358 CG MET A 88 0.233 1.454 -6.955 1.00 0.00 C ATOM 1359 SD MET A 88 -1.035 0.859 -8.096 1.00 0.00 S ATOM 1360 CE MET A 88 -0.799 1.961 -9.492 1.00 0.00 C ATOM 0 H MET A 88 -1.068 -1.563 -4.919 1.00 0.00 H new ATOM 0 HA MET A 88 0.224 0.883 -3.850 1.00 0.00 H new ATOM 0 HB2 MET A 88 1.653 0.608 -5.593 1.00 0.00 H new ATOM 0 HB3 MET A 88 0.628 -0.572 -6.384 1.00 0.00 H new ATOM 0 HG2 MET A 88 -0.132 2.347 -6.448 1.00 0.00 H new ATOM 0 HG3 MET A 88 1.116 1.748 -7.522 1.00 0.00 H new ATOM 0 HE1 MET A 88 -1.723 2.507 -9.685 1.00 0.00 H new ATOM 0 HE2 MET A 88 -0.000 2.668 -9.267 1.00 0.00 H new ATOM 0 HE3 MET A 88 -0.531 1.379 -10.374 1.00 0.00 H new ATOM 1370 N PHE A 89 -1.723 2.280 -4.387 1.00 0.00 N ATOM 1371 CA PHE A 89 -2.929 3.078 -4.560 1.00 0.00 C ATOM 1372 C PHE A 89 -2.587 4.565 -4.530 1.00 0.00 C ATOM 1373 O PHE A 89 -1.722 4.997 -3.767 1.00 0.00 O ATOM 1374 CB PHE A 89 -3.973 2.727 -3.493 1.00 0.00 C ATOM 1375 CG PHE A 89 -3.585 3.088 -2.087 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -2.395 2.641 -1.535 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -4.428 3.866 -1.312 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -2.054 2.967 -0.236 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -4.094 4.197 -0.014 1.00 0.00 C ATOM 1380 CZ PHE A 89 -2.904 3.746 0.526 1.00 0.00 C ATOM 0 H PHE A 89 -0.998 2.730 -3.828 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.362 2.848 -5.533 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.907 3.233 -3.738 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -4.170 1.656 -3.537 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -1.727 2.032 -2.126 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -5.360 4.219 -1.729 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.124 2.613 0.183 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -4.761 4.807 0.578 1.00 0.00 H new ATOM 0 HZ PHE A 89 -2.639 4.002 1.541 1.00 0.00 H new ATOM 1390 N SER A 90 -3.248 5.340 -5.386 1.00 0.00 N ATOM 1391 CA SER A 90 -2.989 6.773 -5.479 1.00 0.00 C ATOM 1392 C SER A 90 -3.915 7.580 -4.576 1.00 0.00 C ATOM 1393 O SER A 90 -5.082 7.239 -4.401 1.00 0.00 O ATOM 1394 CB SER A 90 -3.147 7.241 -6.927 1.00 0.00 C ATOM 1395 OG SER A 90 -2.724 6.240 -7.836 1.00 0.00 O ATOM 0 H SER A 90 -3.967 4.999 -6.025 1.00 0.00 H new ATOM 0 HA SER A 90 -1.966 6.942 -5.144 1.00 0.00 H new ATOM 0 HB2 SER A 90 -4.190 7.494 -7.119 1.00 0.00 H new ATOM 0 HB3 SER A 90 -2.565 8.149 -7.084 1.00 0.00 H new ATOM 0 HG SER A 90 -2.837 6.563 -8.754 1.00 0.00 H new ATOM 1401 N PHE A 91 -3.383 8.662 -4.015 1.00 0.00 N ATOM 1402 CA PHE A 91 -4.158 9.533 -3.140 1.00 0.00 C ATOM 1403 C PHE A 91 -4.603 10.780 -3.896 1.00 0.00 C ATOM 1404 O PHE A 91 -4.167 11.021 -5.021 1.00 0.00 O ATOM 1405 CB PHE A 91 -3.337 9.934 -1.912 1.00 0.00 C ATOM 1406 CG PHE A 91 -3.132 8.818 -0.929 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -2.581 7.612 -1.332 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -3.490 8.976 0.399 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -2.390 6.586 -0.427 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -3.302 7.953 1.309 1.00 0.00 C ATOM 1411 CZ PHE A 91 -2.751 6.757 0.895 1.00 0.00 C ATOM 0 H PHE A 91 -2.416 8.956 -4.152 1.00 0.00 H new ATOM 0 HA PHE A 91 -5.039 8.985 -2.806 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -2.364 10.299 -2.241 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -3.835 10.762 -1.408 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -2.298 7.473 -2.365 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -3.921 9.910 0.728 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -1.959 5.651 -0.753 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -3.586 8.089 2.342 1.00 0.00 H new ATOM 0 HZ PHE A 91 -2.602 5.956 1.604 1.00 0.00 H new ATOM 1421 N ASN A 92 -5.471 11.571 -3.276 1.00 0.00 N ATOM 1422 CA ASN A 92 -5.967 12.790 -3.903 1.00 0.00 C ATOM 1423 C ASN A 92 -5.719 14.006 -3.015 1.00 0.00 C ATOM 1424 O ASN A 92 -6.503 14.955 -3.012 1.00 0.00 O ATOM 1425 CB ASN A 92 -7.460 12.659 -4.209 1.00 0.00 C ATOM 1426 CG ASN A 92 -7.727 11.813 -5.441 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -7.642 12.296 -6.570 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -8.052 10.542 -5.228 1.00 0.00 N ATOM 0 H ASN A 92 -5.844 11.391 -2.344 1.00 0.00 H new ATOM 0 HA ASN A 92 -5.423 12.934 -4.836 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -7.966 12.216 -3.351 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -7.887 13.651 -4.354 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -8.243 9.925 -6.018 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -8.111 10.183 -4.275 1.00 0.00 H new ATOM 1435 N ASN A 93 -4.619 13.972 -2.267 1.00 0.00 N ATOM 1436 CA ASN A 93 -4.262 15.074 -1.377 1.00 0.00 C ATOM 1437 C ASN A 93 -3.010 14.737 -0.571 1.00 0.00 C ATOM 1438 O ASN A 93 -2.781 13.581 -0.214 1.00 0.00 O ATOM 1439 CB ASN A 93 -5.421 15.400 -0.432 1.00 0.00 C ATOM 1440 CG ASN A 93 -5.779 16.873 -0.444 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -5.053 17.696 -1.002 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -6.904 17.214 0.174 1.00 0.00 N ATOM 0 H ASN A 93 -3.960 13.194 -2.259 1.00 0.00 H new ATOM 0 HA ASN A 93 -4.054 15.949 -1.993 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -6.295 14.814 -0.717 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -5.154 15.102 0.582 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -7.196 18.191 0.199 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -7.476 16.499 0.624 1.00 0.00 H new ATOM 1449 N ARG A 94 -2.202 15.754 -0.291 1.00 0.00 N ATOM 1450 CA ARG A 94 -0.971 15.569 0.470 1.00 0.00 C ATOM 1451 C ARG A 94 -1.270 15.154 1.908 1.00 0.00 C ATOM 1452 O ARG A 94 -0.677 14.209 2.427 1.00 0.00 O ATOM 1453 CB ARG A 94 -0.144 16.855 0.461 1.00 0.00 C ATOM 1454 CG ARG A 94 0.051 17.443 -0.928 1.00 0.00 C ATOM 1455 CD ARG A 94 1.388 17.031 -1.524 1.00 0.00 C ATOM 1456 NE ARG A 94 2.439 18.003 -1.233 1.00 0.00 N ATOM 1457 CZ ARG A 94 2.449 19.248 -1.702 1.00 0.00 C ATOM 1458 NH1 ARG A 94 1.465 19.678 -2.483 1.00 0.00 N ATOM 1459 NH2 ARG A 94 3.444 20.067 -1.389 1.00 0.00 N ATOM 0 H ARG A 94 -2.378 16.716 -0.580 1.00 0.00 H new ATOM 0 HA ARG A 94 -0.400 14.772 -0.005 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -0.632 17.595 1.095 1.00 0.00 H new ATOM 0 HB3 ARG A 94 0.832 16.652 0.901 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -0.757 17.113 -1.581 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -0.006 18.530 -0.875 1.00 0.00 H new ATOM 0 HD2 ARG A 94 1.676 16.057 -1.130 1.00 0.00 H new ATOM 0 HD3 ARG A 94 1.285 16.920 -2.603 1.00 0.00 H new ATOM 0 HE ARG A 94 3.211 17.710 -0.635 1.00 0.00 H new ATOM 0 HH11 ARG A 94 0.697 19.053 -2.726 1.00 0.00 H new ATOM 0 HH12 ARG A 94 1.478 20.633 -2.840 1.00 0.00 H new ATOM 0 HH21 ARG A 94 4.202 19.742 -0.789 1.00 0.00 H new ATOM 0 HH22 ARG A 94 3.451 21.021 -1.749 1.00 0.00 H new ATOM 1473 N THR A 95 -2.190 15.869 2.548 1.00 0.00 N ATOM 1474 CA THR A 95 -2.562 15.575 3.927 1.00 0.00 C ATOM 1475 C THR A 95 -3.124 14.165 4.054 1.00 0.00 C ATOM 1476 O THR A 95 -2.896 13.485 5.053 1.00 0.00 O ATOM 1477 CB THR A 95 -3.586 16.594 4.431 1.00 0.00 C ATOM 1478 OG1 THR A 95 -3.294 17.887 3.932 1.00 0.00 O ATOM 1479 CG2 THR A 95 -3.645 16.687 5.940 1.00 0.00 C ATOM 0 H THR A 95 -2.691 16.655 2.134 1.00 0.00 H new ATOM 0 HA THR A 95 -1.663 15.642 4.539 1.00 0.00 H new ATOM 0 HB THR A 95 -4.550 16.239 4.067 1.00 0.00 H new ATOM 0 HG1 THR A 95 -3.961 18.524 4.264 1.00 0.00 H new ATOM 0 HG21 THR A 95 -4.391 17.427 6.230 1.00 0.00 H new ATOM 0 HG22 THR A 95 -3.917 15.716 6.354 1.00 0.00 H new ATOM 0 HG23 THR A 95 -2.670 16.985 6.325 1.00 0.00 H new ATOM 1487 N VAL A 96 -3.856 13.728 3.036 1.00 0.00 N ATOM 1488 CA VAL A 96 -4.440 12.394 3.042 1.00 0.00 C ATOM 1489 C VAL A 96 -3.352 11.331 3.123 1.00 0.00 C ATOM 1490 O VAL A 96 -3.421 10.417 3.944 1.00 0.00 O ATOM 1491 CB VAL A 96 -5.296 12.149 1.785 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -5.946 10.775 1.835 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -6.352 13.234 1.640 1.00 0.00 C ATOM 0 H VAL A 96 -4.058 14.276 2.200 1.00 0.00 H new ATOM 0 HA VAL A 96 -5.081 12.326 3.921 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.642 12.185 0.914 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -6.546 10.623 0.938 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.173 10.008 1.889 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -6.586 10.707 2.715 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -6.947 13.045 0.747 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -7.001 13.230 2.516 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -5.866 14.206 1.553 1.00 0.00 H new ATOM 1503 N MET A 97 -2.345 11.460 2.266 1.00 0.00 N ATOM 1504 CA MET A 97 -1.239 10.514 2.243 1.00 0.00 C ATOM 1505 C MET A 97 -0.375 10.662 3.489 1.00 0.00 C ATOM 1506 O MET A 97 0.051 9.672 4.081 1.00 0.00 O ATOM 1507 CB MET A 97 -0.387 10.718 0.988 1.00 0.00 C ATOM 1508 CG MET A 97 0.136 12.137 0.831 1.00 0.00 C ATOM 1509 SD MET A 97 1.270 12.308 -0.561 1.00 0.00 S ATOM 1510 CE MET A 97 2.750 11.558 0.114 1.00 0.00 C ATOM 0 H MET A 97 -2.273 12.211 1.579 1.00 0.00 H new ATOM 0 HA MET A 97 -1.655 9.507 2.227 1.00 0.00 H new ATOM 0 HB2 MET A 97 0.458 10.030 1.017 1.00 0.00 H new ATOM 0 HB3 MET A 97 -0.980 10.459 0.111 1.00 0.00 H new ATOM 0 HG2 MET A 97 -0.705 12.817 0.696 1.00 0.00 H new ATOM 0 HG3 MET A 97 0.644 12.437 1.748 1.00 0.00 H new ATOM 0 HE1 MET A 97 3.628 12.080 -0.266 1.00 0.00 H new ATOM 0 HE2 MET A 97 2.729 11.627 1.202 1.00 0.00 H new ATOM 0 HE3 MET A 97 2.794 10.510 -0.182 1.00 0.00 H new ATOM 1520 N ASP A 98 -0.122 11.906 3.884 1.00 0.00 N ATOM 1521 CA ASP A 98 0.691 12.183 5.062 1.00 0.00 C ATOM 1522 C ASP A 98 -0.014 11.733 6.334 1.00 0.00 C ATOM 1523 O ASP A 98 0.615 11.178 7.233 1.00 0.00 O ATOM 1524 CB ASP A 98 1.018 13.675 5.144 1.00 0.00 C ATOM 1525 CG ASP A 98 2.375 13.936 5.768 1.00 0.00 C ATOM 1526 OD1 ASP A 98 3.275 13.084 5.609 1.00 0.00 O ATOM 1527 OD2 ASP A 98 2.538 14.991 6.415 1.00 0.00 O ATOM 0 H ASP A 98 -0.468 12.738 3.405 1.00 0.00 H new ATOM 0 HA ASP A 98 1.619 11.620 4.969 1.00 0.00 H new ATOM 0 HB2 ASP A 98 0.993 14.105 4.143 1.00 0.00 H new ATOM 0 HB3 ASP A 98 0.249 14.181 5.728 1.00 0.00 H new ATOM 1532 N ASN A 99 -1.319 11.975 6.411 1.00 0.00 N ATOM 1533 CA ASN A 99 -2.088 11.587 7.588 1.00 0.00 C ATOM 1534 C ASN A 99 -1.968 10.087 7.839 1.00 0.00 C ATOM 1535 O ASN A 99 -1.657 9.657 8.949 1.00 0.00 O ATOM 1536 CB ASN A 99 -3.558 11.971 7.412 1.00 0.00 C ATOM 1537 CG ASN A 99 -3.813 13.435 7.717 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -3.024 14.085 8.402 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -4.921 13.961 7.208 1.00 0.00 N ATOM 0 H ASN A 99 -1.862 12.434 5.679 1.00 0.00 H new ATOM 0 HA ASN A 99 -1.684 12.118 8.450 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -3.867 11.757 6.389 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -4.173 11.354 8.067 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -5.146 14.941 7.380 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -5.547 13.385 6.645 1.00 0.00 H new ATOM 1546 N ILE A 100 -2.201 9.292 6.800 1.00 0.00 N ATOM 1547 CA ILE A 100 -2.090 7.848 6.915 1.00 0.00 C ATOM 1548 C ILE A 100 -0.629 7.407 6.927 1.00 0.00 C ATOM 1549 O ILE A 100 -0.259 6.484 7.649 1.00 0.00 O ATOM 1550 CB ILE A 100 -2.843 7.113 5.790 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -4.353 7.263 5.984 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -2.439 5.647 5.742 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -5.167 6.497 4.969 1.00 0.00 C ATOM 0 H ILE A 100 -2.467 9.625 5.873 1.00 0.00 H new ATOM 0 HA ILE A 100 -2.554 7.578 7.864 1.00 0.00 H new ATOM 0 HB ILE A 100 -2.574 7.563 4.834 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -4.619 6.922 6.984 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -4.616 8.319 5.927 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -2.982 5.146 4.941 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -1.368 5.571 5.557 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -2.677 5.173 6.694 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -6.229 6.648 5.165 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -4.929 6.854 3.967 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.932 5.435 5.041 1.00 0.00 H new ATOM 1565 N LYS A 101 0.199 8.063 6.112 1.00 0.00 N ATOM 1566 CA LYS A 101 1.615 7.716 6.031 1.00 0.00 C ATOM 1567 C LYS A 101 2.240 7.747 7.410 1.00 0.00 C ATOM 1568 O LYS A 101 2.884 6.790 7.835 1.00 0.00 O ATOM 1569 CB LYS A 101 2.356 8.670 5.089 1.00 0.00 C ATOM 1570 CG LYS A 101 3.859 8.436 5.038 1.00 0.00 C ATOM 1571 CD LYS A 101 4.635 9.710 5.329 1.00 0.00 C ATOM 1572 CE LYS A 101 5.096 9.762 6.777 1.00 0.00 C ATOM 1573 NZ LYS A 101 5.053 11.146 7.324 1.00 0.00 N ATOM 0 H LYS A 101 -0.085 8.831 5.504 1.00 0.00 H new ATOM 0 HA LYS A 101 1.699 6.706 5.629 1.00 0.00 H new ATOM 0 HB2 LYS A 101 1.947 8.565 4.084 1.00 0.00 H new ATOM 0 HB3 LYS A 101 2.168 9.696 5.404 1.00 0.00 H new ATOM 0 HG2 LYS A 101 4.133 7.669 5.763 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.136 8.058 4.054 1.00 0.00 H new ATOM 0 HD2 LYS A 101 5.500 9.770 4.668 1.00 0.00 H new ATOM 0 HD3 LYS A 101 4.009 10.576 5.114 1.00 0.00 H new ATOM 0 HE2 LYS A 101 4.464 9.112 7.383 1.00 0.00 H new ATOM 0 HE3 LYS A 101 6.112 9.375 6.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 4.720 11.120 8.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 6.006 11.562 7.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 4.403 11.724 6.754 1.00 0.00 H new ATOM 1587 N MET A 102 2.017 8.841 8.112 1.00 0.00 N ATOM 1588 CA MET A 102 2.534 8.988 9.466 1.00 0.00 C ATOM 1589 C MET A 102 1.947 7.900 10.355 1.00 0.00 C ATOM 1590 O MET A 102 2.604 7.402 11.269 1.00 0.00 O ATOM 1591 CB MET A 102 2.194 10.365 10.034 1.00 0.00 C ATOM 1592 CG MET A 102 0.725 10.726 9.922 1.00 0.00 C ATOM 1593 SD MET A 102 -0.184 10.425 11.449 1.00 0.00 S ATOM 1594 CE MET A 102 0.704 11.485 12.587 1.00 0.00 C ATOM 0 H MET A 102 1.483 9.641 7.772 1.00 0.00 H new ATOM 0 HA MET A 102 3.619 8.891 9.437 1.00 0.00 H new ATOM 0 HB2 MET A 102 2.488 10.398 11.083 1.00 0.00 H new ATOM 0 HB3 MET A 102 2.785 11.119 9.514 1.00 0.00 H new ATOM 0 HG2 MET A 102 0.633 11.778 9.651 1.00 0.00 H new ATOM 0 HG3 MET A 102 0.274 10.148 9.115 1.00 0.00 H new ATOM 0 HE1 MET A 102 0.010 11.892 13.323 1.00 0.00 H new ATOM 0 HE2 MET A 102 1.475 10.907 13.096 1.00 0.00 H new ATOM 0 HE3 MET A 102 1.168 12.303 12.036 1.00 0.00 H new ATOM 1604 N THR A 103 0.704 7.527 10.062 1.00 0.00 N ATOM 1605 CA THR A 103 0.017 6.491 10.805 1.00 0.00 C ATOM 1606 C THR A 103 0.680 5.145 10.547 1.00 0.00 C ATOM 1607 O THR A 103 1.065 4.441 11.477 1.00 0.00 O ATOM 1608 CB THR A 103 -1.458 6.447 10.382 1.00 0.00 C ATOM 1609 OG1 THR A 103 -2.260 7.213 11.262 1.00 0.00 O ATOM 1610 CG2 THR A 103 -2.038 5.056 10.328 1.00 0.00 C ATOM 0 H THR A 103 0.153 7.935 9.307 1.00 0.00 H new ATOM 0 HA THR A 103 0.074 6.711 11.871 1.00 0.00 H new ATOM 0 HB THR A 103 -1.469 6.860 9.373 1.00 0.00 H new ATOM 0 HG1 THR A 103 -2.689 7.940 10.764 1.00 0.00 H new ATOM 0 HG21 THR A 103 -3.083 5.109 10.022 1.00 0.00 H new ATOM 0 HG22 THR A 103 -1.479 4.456 9.610 1.00 0.00 H new ATOM 0 HG23 THR A 103 -1.972 4.596 11.314 1.00 0.00 H new ATOM 1618 N LEU A 104 0.812 4.806 9.268 1.00 0.00 N ATOM 1619 CA LEU A 104 1.427 3.552 8.866 1.00 0.00 C ATOM 1620 C LEU A 104 2.891 3.527 9.257 1.00 0.00 C ATOM 1621 O LEU A 104 3.434 2.486 9.619 1.00 0.00 O ATOM 1622 CB LEU A 104 1.269 3.339 7.358 1.00 0.00 C ATOM 1623 CG LEU A 104 0.030 2.534 6.947 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -0.700 3.211 5.791 1.00 0.00 C ATOM 1625 CD2 LEU A 104 0.425 1.111 6.576 1.00 0.00 C ATOM 0 H LEU A 104 0.498 5.388 8.491 1.00 0.00 H new ATOM 0 HA LEU A 104 0.921 2.738 9.384 1.00 0.00 H new ATOM 0 HB2 LEU A 104 1.230 4.313 6.870 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.157 2.830 6.983 1.00 0.00 H new ATOM 0 HG LEU A 104 -0.652 2.494 7.796 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -1.575 2.621 5.518 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.016 4.209 6.095 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -0.032 3.287 4.933 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -0.464 0.550 6.286 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.127 1.134 5.743 1.00 0.00 H new ATOM 0 HD23 LEU A 104 0.895 0.629 7.433 1.00 0.00 H new ATOM 1637 N GLN A 105 3.520 4.686 9.194 1.00 0.00 N ATOM 1638 CA GLN A 105 4.918 4.815 9.556 1.00 0.00 C ATOM 1639 C GLN A 105 5.144 4.339 10.986 1.00 0.00 C ATOM 1640 O GLN A 105 6.199 3.797 11.314 1.00 0.00 O ATOM 1641 CB GLN A 105 5.340 6.272 9.419 1.00 0.00 C ATOM 1642 CG GLN A 105 6.260 6.535 8.238 1.00 0.00 C ATOM 1643 CD GLN A 105 7.387 7.490 8.578 1.00 0.00 C ATOM 1644 OE1 GLN A 105 7.154 8.591 9.077 1.00 0.00 O ATOM 1645 NE2 GLN A 105 8.618 7.072 8.309 1.00 0.00 N ATOM 0 H GLN A 105 3.081 5.556 8.893 1.00 0.00 H new ATOM 0 HA GLN A 105 5.518 4.196 8.889 1.00 0.00 H new ATOM 0 HB2 GLN A 105 4.448 6.891 9.318 1.00 0.00 H new ATOM 0 HB3 GLN A 105 5.842 6.583 10.335 1.00 0.00 H new ATOM 0 HG2 GLN A 105 6.681 5.591 7.893 1.00 0.00 H new ATOM 0 HG3 GLN A 105 5.678 6.945 7.413 1.00 0.00 H new ATOM 0 HE21 GLN A 105 8.765 6.151 7.895 1.00 0.00 H new ATOM 0 HE22 GLN A 105 9.417 7.671 8.516 1.00 0.00 H new ATOM 1654 N GLN A 106 4.143 4.547 11.836 1.00 0.00 N ATOM 1655 CA GLN A 106 4.231 4.136 13.225 1.00 0.00 C ATOM 1656 C GLN A 106 3.988 2.644 13.359 1.00 0.00 C ATOM 1657 O GLN A 106 4.739 1.936 14.029 1.00 0.00 O ATOM 1658 CB GLN A 106 3.233 4.915 14.083 1.00 0.00 C ATOM 1659 CG GLN A 106 3.632 6.364 14.315 1.00 0.00 C ATOM 1660 CD GLN A 106 2.437 7.296 14.369 1.00 0.00 C ATOM 1661 OE1 GLN A 106 2.400 8.317 13.684 1.00 0.00 O ATOM 1662 NE2 GLN A 106 1.451 6.947 15.188 1.00 0.00 N ATOM 0 H GLN A 106 3.264 4.998 11.583 1.00 0.00 H new ATOM 0 HA GLN A 106 5.238 4.356 13.580 1.00 0.00 H new ATOM 0 HB2 GLN A 106 2.255 4.888 13.603 1.00 0.00 H new ATOM 0 HB3 GLN A 106 3.128 4.417 15.047 1.00 0.00 H new ATOM 0 HG2 GLN A 106 4.189 6.439 15.249 1.00 0.00 H new ATOM 0 HG3 GLN A 106 4.302 6.685 13.518 1.00 0.00 H new ATOM 0 HE21 GLN A 106 1.524 6.091 15.738 1.00 0.00 H new ATOM 0 HE22 GLN A 106 0.621 7.535 15.267 1.00 0.00 H new ATOM 1671 N ILE A 107 2.934 2.172 12.707 1.00 0.00 N ATOM 1672 CA ILE A 107 2.588 0.766 12.741 1.00 0.00 C ATOM 1673 C ILE A 107 3.692 -0.048 12.085 1.00 0.00 C ATOM 1674 O ILE A 107 4.188 -1.018 12.657 1.00 0.00 O ATOM 1675 CB ILE A 107 1.250 0.498 12.031 1.00 0.00 C ATOM 1676 CG1 ILE A 107 0.322 1.711 12.146 1.00 0.00 C ATOM 1677 CG2 ILE A 107 0.586 -0.739 12.621 1.00 0.00 C ATOM 1678 CD1 ILE A 107 -1.133 1.398 11.887 1.00 0.00 C ATOM 0 H ILE A 107 2.305 2.748 12.148 1.00 0.00 H new ATOM 0 HA ILE A 107 2.480 0.469 13.784 1.00 0.00 H new ATOM 0 HB ILE A 107 1.447 0.322 10.974 1.00 0.00 H new ATOM 0 HG12 ILE A 107 0.419 2.137 13.145 1.00 0.00 H new ATOM 0 HG13 ILE A 107 0.650 2.475 11.441 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -0.361 -0.921 12.112 1.00 0.00 H new ATOM 0 HG22 ILE A 107 1.240 -1.601 12.490 1.00 0.00 H new ATOM 0 HG23 ILE A 107 0.402 -0.581 13.684 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -1.724 2.308 11.987 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -1.246 1.001 10.878 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.480 0.658 12.608 1.00 0.00 H new ATOM 1690 N ILE A 108 4.105 0.382 10.894 1.00 0.00 N ATOM 1691 CA ILE A 108 5.188 -0.280 10.181 1.00 0.00 C ATOM 1692 C ILE A 108 6.396 -0.363 11.092 1.00 0.00 C ATOM 1693 O ILE A 108 7.102 -1.370 11.140 1.00 0.00 O ATOM 1694 CB ILE A 108 5.550 0.475 8.884 1.00 0.00 C ATOM 1695 CG1 ILE A 108 6.035 -0.505 7.816 1.00 0.00 C ATOM 1696 CG2 ILE A 108 6.597 1.552 9.135 1.00 0.00 C ATOM 1697 CD1 ILE A 108 7.277 -1.267 8.223 1.00 0.00 C ATOM 0 H ILE A 108 3.705 1.184 10.406 1.00 0.00 H new ATOM 0 HA ILE A 108 4.864 -1.282 9.898 1.00 0.00 H new ATOM 0 HB ILE A 108 4.648 0.970 8.525 1.00 0.00 H new ATOM 0 HG12 ILE A 108 5.238 -1.215 7.595 1.00 0.00 H new ATOM 0 HG13 ILE A 108 6.238 0.043 6.896 1.00 0.00 H new ATOM 0 HG21 ILE A 108 6.826 2.062 8.199 1.00 0.00 H new ATOM 0 HG22 ILE A 108 6.212 2.273 9.856 1.00 0.00 H new ATOM 0 HG23 ILE A 108 7.504 1.093 9.530 1.00 0.00 H new ATOM 0 HD11 ILE A 108 7.567 -1.945 7.420 1.00 0.00 H new ATOM 0 HD12 ILE A 108 8.088 -0.565 8.416 1.00 0.00 H new ATOM 0 HD13 ILE A 108 7.072 -1.841 9.126 1.00 0.00 H new ATOM 1709 N SER A 109 6.594 0.711 11.839 1.00 0.00 N ATOM 1710 CA SER A 109 7.685 0.788 12.795 1.00 0.00 C ATOM 1711 C SER A 109 7.452 -0.219 13.914 1.00 0.00 C ATOM 1712 O SER A 109 8.393 -0.826 14.425 1.00 0.00 O ATOM 1713 CB SER A 109 7.797 2.201 13.370 1.00 0.00 C ATOM 1714 OG SER A 109 8.962 2.337 14.166 1.00 0.00 O ATOM 0 H SER A 109 6.009 1.546 11.801 1.00 0.00 H new ATOM 0 HA SER A 109 8.620 0.552 12.286 1.00 0.00 H new ATOM 0 HB2 SER A 109 7.821 2.927 12.557 1.00 0.00 H new ATOM 0 HB3 SER A 109 6.915 2.424 13.970 1.00 0.00 H new ATOM 0 HG SER A 109 9.011 3.249 14.521 1.00 0.00 H new ATOM 1720 N ARG A 110 6.183 -0.397 14.283 1.00 0.00 N ATOM 1721 CA ARG A 110 5.820 -1.339 15.334 1.00 0.00 C ATOM 1722 C ARG A 110 6.108 -2.771 14.896 1.00 0.00 C ATOM 1723 O ARG A 110 6.695 -3.553 15.644 1.00 0.00 O ATOM 1724 CB ARG A 110 4.338 -1.200 15.694 1.00 0.00 C ATOM 1725 CG ARG A 110 3.967 0.163 16.255 1.00 0.00 C ATOM 1726 CD ARG A 110 2.943 0.043 17.373 1.00 0.00 C ATOM 1727 NE ARG A 110 2.600 1.344 17.942 1.00 0.00 N ATOM 1728 CZ ARG A 110 1.776 1.507 18.975 1.00 0.00 C ATOM 1729 NH1 ARG A 110 1.210 0.455 19.554 1.00 0.00 N ATOM 1730 NH2 ARG A 110 1.517 2.725 19.431 1.00 0.00 N ATOM 0 H ARG A 110 5.394 0.099 13.869 1.00 0.00 H new ATOM 0 HA ARG A 110 6.422 -1.110 16.213 1.00 0.00 H new ATOM 0 HB2 ARG A 110 3.738 -1.392 14.804 1.00 0.00 H new ATOM 0 HB3 ARG A 110 4.078 -1.966 16.425 1.00 0.00 H new ATOM 0 HG2 ARG A 110 4.862 0.659 16.631 1.00 0.00 H new ATOM 0 HG3 ARG A 110 3.566 0.789 15.458 1.00 0.00 H new ATOM 0 HD2 ARG A 110 2.041 -0.434 16.989 1.00 0.00 H new ATOM 0 HD3 ARG A 110 3.336 -0.604 18.157 1.00 0.00 H new ATOM 0 HE ARG A 110 3.016 2.176 17.524 1.00 0.00 H new ATOM 0 HH11 ARG A 110 1.406 -0.484 19.208 1.00 0.00 H new ATOM 0 HH12 ARG A 110 0.580 0.586 20.345 1.00 0.00 H new ATOM 0 HH21 ARG A 110 1.949 3.537 18.990 1.00 0.00 H new ATOM 0 HH22 ARG A 110 0.886 2.850 20.222 1.00 0.00 H new ATOM 1744 N TYR A 111 5.692 -3.108 13.678 1.00 0.00 N ATOM 1745 CA TYR A 111 5.909 -4.447 13.144 1.00 0.00 C ATOM 1746 C TYR A 111 7.387 -4.680 12.848 1.00 0.00 C ATOM 1747 O TYR A 111 7.863 -5.815 12.869 1.00 0.00 O ATOM 1748 CB TYR A 111 5.077 -4.655 11.876 1.00 0.00 C ATOM 1749 CG TYR A 111 3.617 -4.933 12.151 1.00 0.00 C ATOM 1750 CD1 TYR A 111 2.718 -3.896 12.372 1.00 0.00 C ATOM 1751 CD2 TYR A 111 3.139 -6.236 12.194 1.00 0.00 C ATOM 1752 CE1 TYR A 111 1.384 -4.151 12.626 1.00 0.00 C ATOM 1753 CE2 TYR A 111 1.807 -6.500 12.447 1.00 0.00 C ATOM 1754 CZ TYR A 111 0.934 -5.456 12.663 1.00 0.00 C ATOM 1755 OH TYR A 111 -0.392 -5.718 12.914 1.00 0.00 O ATOM 0 H TYR A 111 5.205 -2.474 13.045 1.00 0.00 H new ATOM 0 HA TYR A 111 5.592 -5.169 13.896 1.00 0.00 H new ATOM 0 HB2 TYR A 111 5.158 -3.767 11.249 1.00 0.00 H new ATOM 0 HB3 TYR A 111 5.496 -5.486 11.308 1.00 0.00 H new ATOM 0 HD1 TYR A 111 3.068 -2.875 12.345 1.00 0.00 H new ATOM 0 HD2 TYR A 111 3.820 -7.057 12.027 1.00 0.00 H new ATOM 0 HE1 TYR A 111 0.697 -3.335 12.795 1.00 0.00 H new ATOM 0 HE2 TYR A 111 1.452 -7.519 12.475 1.00 0.00 H new ATOM 0 HH TYR A 111 -0.945 -5.009 12.525 1.00 0.00 H new ATOM 1765 N LYS A 112 8.110 -3.597 12.577 1.00 0.00 N ATOM 1766 CA LYS A 112 9.535 -3.684 12.283 1.00 0.00 C ATOM 1767 C LYS A 112 10.351 -3.736 13.571 1.00 0.00 C ATOM 1768 O LYS A 112 11.431 -4.326 13.609 1.00 0.00 O ATOM 1769 CB LYS A 112 9.976 -2.491 11.434 1.00 0.00 C ATOM 1770 CG LYS A 112 11.164 -2.791 10.534 1.00 0.00 C ATOM 1771 CD LYS A 112 10.730 -3.025 9.096 1.00 0.00 C ATOM 1772 CE LYS A 112 10.671 -1.723 8.314 1.00 0.00 C ATOM 1773 NZ LYS A 112 11.959 -1.428 7.628 1.00 0.00 N ATOM 0 H LYS A 112 7.732 -2.650 12.555 1.00 0.00 H new ATOM 0 HA LYS A 112 9.711 -4.603 11.723 1.00 0.00 H new ATOM 0 HB2 LYS A 112 9.138 -2.164 10.819 1.00 0.00 H new ATOM 0 HB3 LYS A 112 10.230 -1.661 12.093 1.00 0.00 H new ATOM 0 HG2 LYS A 112 11.869 -1.960 10.572 1.00 0.00 H new ATOM 0 HG3 LYS A 112 11.689 -3.672 10.904 1.00 0.00 H new ATOM 0 HD2 LYS A 112 11.425 -3.710 8.612 1.00 0.00 H new ATOM 0 HD3 LYS A 112 9.751 -3.503 9.083 1.00 0.00 H new ATOM 0 HE2 LYS A 112 9.871 -1.779 7.576 1.00 0.00 H new ATOM 0 HE3 LYS A 112 10.424 -0.904 8.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 11.877 -0.532 7.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 12.718 -1.349 8.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 12.183 -2.196 6.964 1.00 0.00 H new ATOM 1787 N ASP A 113 9.828 -3.116 14.625 1.00 0.00 N ATOM 1788 CA ASP A 113 10.510 -3.093 15.914 1.00 0.00 C ATOM 1789 C ASP A 113 10.361 -4.431 16.631 1.00 0.00 C ATOM 1790 O ASP A 113 11.309 -4.932 17.234 1.00 0.00 O ATOM 1791 CB ASP A 113 9.955 -1.967 16.788 1.00 0.00 C ATOM 1792 CG ASP A 113 10.899 -1.590 17.912 1.00 0.00 C ATOM 1793 OD1 ASP A 113 11.667 -2.466 18.362 1.00 0.00 O ATOM 1794 OD2 ASP A 113 10.871 -0.418 18.343 1.00 0.00 O ATOM 0 H ASP A 113 8.935 -2.623 14.611 1.00 0.00 H new ATOM 0 HA ASP A 113 11.570 -2.914 15.734 1.00 0.00 H new ATOM 0 HB2 ASP A 113 9.763 -1.091 16.169 1.00 0.00 H new ATOM 0 HB3 ASP A 113 8.998 -2.275 17.209 1.00 0.00 H new ATOM 1799 N ALA A 114 9.163 -5.003 16.562 1.00 0.00 N ATOM 1800 CA ALA A 114 8.890 -6.282 17.205 1.00 0.00 C ATOM 1801 C ALA A 114 9.790 -7.380 16.649 1.00 0.00 C ATOM 1802 O ALA A 114 10.441 -8.104 17.402 1.00 0.00 O ATOM 1803 CB ALA A 114 7.426 -6.658 17.029 1.00 0.00 C ATOM 0 H ALA A 114 8.367 -4.601 16.067 1.00 0.00 H new ATOM 0 HA ALA A 114 9.103 -6.179 18.269 1.00 0.00 H new ATOM 0 HB1 ALA A 114 7.235 -7.615 17.514 1.00 0.00 H new ATOM 0 HB2 ALA A 114 6.797 -5.891 17.480 1.00 0.00 H new ATOM 0 HB3 ALA A 114 7.196 -6.737 15.967 1.00 0.00 H new ATOM 1809 N ASP A 115 9.823 -7.497 15.325 1.00 0.00 N ATOM 1810 CA ASP A 115 10.644 -8.507 14.668 1.00 0.00 C ATOM 1811 C ASP A 115 12.121 -8.303 14.992 1.00 0.00 C ATOM 1812 O ASP A 115 12.949 -9.097 14.499 1.00 0.00 O ATOM 1813 CB ASP A 115 10.432 -8.460 13.153 1.00 0.00 C ATOM 1814 CG ASP A 115 10.827 -9.757 12.474 1.00 0.00 C ATOM 1815 OD1 ASP A 115 12.008 -9.889 12.088 1.00 0.00 O ATOM 1816 OD2 ASP A 115 9.957 -10.640 12.328 1.00 0.00 O ATOM 1817 OXT ASP A 115 12.436 -7.351 15.736 1.00 0.00 O ATOM 0 H ASP A 115 9.291 -6.905 14.687 1.00 0.00 H new ATOM 0 HA ASP A 115 10.340 -9.485 15.041 1.00 0.00 H new ATOM 0 HB2 ASP A 115 9.384 -8.247 12.942 1.00 0.00 H new ATOM 0 HB3 ASP A 115 11.015 -7.641 12.732 1.00 0.00 H new ATOM 2088 N PHE B 475 4.663 3.398 -11.726 1.00 0.00 N ATOM 2089 CA PHE B 475 4.420 3.963 -10.410 1.00 0.00 C ATOM 2090 C PHE B 475 5.499 3.514 -9.440 1.00 0.00 C ATOM 2091 O PHE B 475 5.857 4.247 -8.519 1.00 0.00 O ATOM 2092 CB PHE B 475 3.013 3.605 -9.895 1.00 0.00 C ATOM 2093 CG PHE B 475 2.869 2.240 -9.272 1.00 0.00 C ATOM 2094 CD1 PHE B 475 3.595 1.865 -8.150 1.00 0.00 C ATOM 2095 CD2 PHE B 475 1.981 1.335 -9.814 1.00 0.00 C ATOM 2096 CE1 PHE B 475 3.433 0.610 -7.592 1.00 0.00 C ATOM 2097 CE2 PHE B 475 1.813 0.082 -9.262 1.00 0.00 C ATOM 2098 CZ PHE B 475 2.540 -0.282 -8.150 1.00 0.00 C ATOM 0 HA PHE B 475 4.462 5.049 -10.489 1.00 0.00 H new ATOM 0 HB2 PHE B 475 2.715 4.352 -9.160 1.00 0.00 H new ATOM 0 HB3 PHE B 475 2.313 3.679 -10.727 1.00 0.00 H new ATOM 0 HD1 PHE B 475 4.293 2.560 -7.708 1.00 0.00 H new ATOM 0 HD2 PHE B 475 1.407 1.612 -10.686 1.00 0.00 H new ATOM 0 HE1 PHE B 475 4.005 0.328 -6.720 1.00 0.00 H new ATOM 0 HE2 PHE B 475 1.112 -0.613 -9.701 1.00 0.00 H new ATOM 0 HZ PHE B 475 2.411 -1.263 -7.716 1.00 0.00 H new ATOM 2108 N GLU B 476 6.018 2.306 -9.650 1.00 0.00 N ATOM 2109 CA GLU B 476 7.056 1.772 -8.782 1.00 0.00 C ATOM 2110 C GLU B 476 8.294 2.650 -8.793 1.00 0.00 C ATOM 2111 O GLU B 476 9.003 2.740 -7.793 1.00 0.00 O ATOM 2112 CB GLU B 476 7.418 0.347 -9.169 1.00 0.00 C ATOM 2113 CG GLU B 476 6.209 -0.541 -9.388 1.00 0.00 C ATOM 2114 CD GLU B 476 6.521 -2.012 -9.193 1.00 0.00 C ATOM 2115 OE1 GLU B 476 7.529 -2.322 -8.524 1.00 0.00 O ATOM 2116 OE2 GLU B 476 5.756 -2.854 -9.709 1.00 0.00 O ATOM 0 H GLU B 476 5.737 1.685 -10.409 1.00 0.00 H new ATOM 0 HA GLU B 476 6.654 1.762 -7.769 1.00 0.00 H new ATOM 0 HB2 GLU B 476 8.016 0.366 -10.080 1.00 0.00 H new ATOM 0 HB3 GLU B 476 8.042 -0.087 -8.388 1.00 0.00 H new ATOM 0 HG2 GLU B 476 5.418 -0.247 -8.698 1.00 0.00 H new ATOM 0 HG3 GLU B 476 5.827 -0.385 -10.397 1.00 0.00 H new ATOM 2123 N GLN B 477 8.544 3.322 -9.909 1.00 0.00 N ATOM 2124 CA GLN B 477 9.698 4.211 -9.995 1.00 0.00 C ATOM 2125 C GLN B 477 9.580 5.289 -8.932 1.00 0.00 C ATOM 2126 O GLN B 477 10.507 5.514 -8.153 1.00 0.00 O ATOM 2127 CB GLN B 477 9.810 4.835 -11.387 1.00 0.00 C ATOM 2128 CG GLN B 477 10.712 4.058 -12.331 1.00 0.00 C ATOM 2129 CD GLN B 477 11.578 4.962 -13.186 1.00 0.00 C ATOM 2130 OE1 GLN B 477 12.757 5.167 -12.896 1.00 0.00 O ATOM 2131 NE2 GLN B 477 10.996 5.508 -14.247 1.00 0.00 N ATOM 0 H GLN B 477 7.975 3.272 -10.754 1.00 0.00 H new ATOM 0 HA GLN B 477 10.605 3.631 -9.823 1.00 0.00 H new ATOM 0 HB2 GLN B 477 8.815 4.906 -11.825 1.00 0.00 H new ATOM 0 HB3 GLN B 477 10.189 5.852 -11.291 1.00 0.00 H new ATOM 0 HG2 GLN B 477 11.351 3.392 -11.751 1.00 0.00 H new ATOM 0 HG3 GLN B 477 10.100 3.430 -12.978 1.00 0.00 H new ATOM 0 HE21 GLN B 477 10.016 5.310 -14.449 1.00 0.00 H new ATOM 0 HE22 GLN B 477 11.529 6.125 -14.860 1.00 0.00 H new ATOM 2140 N MET B 478 8.413 5.913 -8.868 1.00 0.00 N ATOM 2141 CA MET B 478 8.155 6.919 -7.854 1.00 0.00 C ATOM 2142 C MET B 478 7.766 6.219 -6.553 1.00 0.00 C ATOM 2143 O MET B 478 7.581 6.856 -5.516 1.00 0.00 O ATOM 2144 CB MET B 478 7.038 7.863 -8.303 1.00 0.00 C ATOM 2145 CG MET B 478 7.493 8.910 -9.307 1.00 0.00 C ATOM 2146 SD MET B 478 8.765 10.002 -8.643 1.00 0.00 S ATOM 2147 CE MET B 478 7.766 11.367 -8.054 1.00 0.00 C ATOM 0 H MET B 478 7.634 5.740 -9.504 1.00 0.00 H new ATOM 0 HA MET B 478 9.054 7.514 -7.697 1.00 0.00 H new ATOM 0 HB2 MET B 478 6.232 7.276 -8.743 1.00 0.00 H new ATOM 0 HB3 MET B 478 6.625 8.366 -7.428 1.00 0.00 H new ATOM 0 HG2 MET B 478 7.876 8.412 -10.197 1.00 0.00 H new ATOM 0 HG3 MET B 478 6.635 9.506 -9.619 1.00 0.00 H new ATOM 0 HE1 MET B 478 8.413 12.135 -7.630 1.00 0.00 H new ATOM 0 HE2 MET B 478 7.199 11.788 -8.884 1.00 0.00 H new ATOM 0 HE3 MET B 478 7.077 11.010 -7.288 1.00 0.00 H new ATOM 2157 N PHE B 479 7.643 4.890 -6.632 1.00 0.00 N ATOM 2158 CA PHE B 479 7.275 4.071 -5.490 1.00 0.00 C ATOM 2159 C PHE B 479 8.420 3.165 -5.050 1.00 0.00 C ATOM 2160 O PHE B 479 8.196 2.168 -4.364 1.00 0.00 O ATOM 2161 CB PHE B 479 6.046 3.223 -5.823 1.00 0.00 C ATOM 2162 CG PHE B 479 4.742 3.899 -5.490 1.00 0.00 C ATOM 2163 CD1 PHE B 479 4.695 5.256 -5.198 1.00 0.00 C ATOM 2164 CD2 PHE B 479 3.564 3.176 -5.459 1.00 0.00 C ATOM 2165 CE1 PHE B 479 3.501 5.869 -4.884 1.00 0.00 C ATOM 2166 CE2 PHE B 479 2.366 3.786 -5.146 1.00 0.00 C ATOM 2167 CZ PHE B 479 2.336 5.134 -4.858 1.00 0.00 C ATOM 0 H PHE B 479 7.797 4.360 -7.490 1.00 0.00 H new ATOM 0 HA PHE B 479 7.043 4.745 -4.665 1.00 0.00 H new ATOM 0 HB2 PHE B 479 6.059 2.980 -6.885 1.00 0.00 H new ATOM 0 HB3 PHE B 479 6.107 2.280 -5.279 1.00 0.00 H new ATOM 0 HD1 PHE B 479 5.605 5.838 -5.217 1.00 0.00 H new ATOM 0 HD2 PHE B 479 3.581 2.120 -5.683 1.00 0.00 H new ATOM 0 HE1 PHE B 479 3.479 6.925 -4.658 1.00 0.00 H new ATOM 0 HE2 PHE B 479 1.454 3.208 -5.127 1.00 0.00 H new ATOM 0 HZ PHE B 479 1.400 5.613 -4.612 1.00 0.00 H new ATOM 2177 N THR B 480 9.647 3.511 -5.431 1.00 0.00 N ATOM 2178 CA THR B 480 10.798 2.715 -5.047 1.00 0.00 C ATOM 2179 C THR B 480 11.768 3.560 -4.229 1.00 0.00 C ATOM 2180 O THR B 480 12.494 4.397 -4.765 1.00 0.00 O ATOM 2181 CB THR B 480 11.498 2.145 -6.285 1.00 0.00 C ATOM 2182 OG1 THR B 480 10.677 1.184 -6.925 1.00 0.00 O ATOM 2183 CG2 THR B 480 12.823 1.478 -5.979 1.00 0.00 C ATOM 0 H THR B 480 9.864 4.330 -6.000 1.00 0.00 H new ATOM 0 HA THR B 480 10.455 1.881 -4.435 1.00 0.00 H new ATOM 0 HB THR B 480 11.684 3.005 -6.928 1.00 0.00 H new ATOM 0 HG1 THR B 480 10.190 1.609 -7.662 1.00 0.00 H new ATOM 0 HG21 THR B 480 13.261 1.098 -6.902 1.00 0.00 H new ATOM 0 HG22 THR B 480 13.500 2.203 -5.528 1.00 0.00 H new ATOM 0 HG23 THR B 480 12.663 0.652 -5.287 1.00 0.00 H new ATOM 2191 N ASP B 481 11.759 3.329 -2.917 1.00 0.00 N ATOM 2192 CA ASP B 481 12.618 4.057 -1.990 1.00 0.00 C ATOM 2193 C ASP B 481 12.589 5.558 -2.271 1.00 0.00 C ATOM 2194 O ASP B 481 13.468 6.091 -2.948 1.00 0.00 O ATOM 2195 CB ASP B 481 14.052 3.535 -2.074 1.00 0.00 C ATOM 2196 CG ASP B 481 14.820 3.742 -0.783 1.00 0.00 C ATOM 2197 OD1 ASP B 481 14.345 3.272 0.272 1.00 0.00 O ATOM 2198 OD2 ASP B 481 15.897 4.373 -0.828 1.00 0.00 O ATOM 0 H ASP B 481 11.159 2.636 -2.471 1.00 0.00 H new ATOM 0 HA ASP B 481 12.237 3.893 -0.982 1.00 0.00 H new ATOM 0 HB2 ASP B 481 14.035 2.473 -2.317 1.00 0.00 H new ATOM 0 HB3 ASP B 481 14.572 4.040 -2.888 1.00 0.00 H new ATOM 2203 N ALA B 482 11.571 6.231 -1.746 1.00 0.00 N ATOM 2204 CA ALA B 482 11.423 7.668 -1.938 1.00 0.00 C ATOM 2205 C ALA B 482 11.294 8.391 -0.601 1.00 0.00 C ATOM 2206 O ALA B 482 10.646 9.433 -0.507 1.00 0.00 O ATOM 2207 CB ALA B 482 10.215 7.960 -2.815 1.00 0.00 C ATOM 0 H ALA B 482 10.835 5.803 -1.184 1.00 0.00 H new ATOM 0 HA ALA B 482 12.320 8.037 -2.436 1.00 0.00 H new ATOM 0 HB1 ALA B 482 10.116 9.037 -2.951 1.00 0.00 H new ATOM 0 HB2 ALA B 482 10.346 7.483 -3.786 1.00 0.00 H new ATOM 0 HB3 ALA B 482 9.316 7.570 -2.338 1.00 0.00 H new