USER MOD reduce.3.24.130724 H: found=0, std=0, add=1102, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1097 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 75 MET CE :methyl 160:sc= 0 (180deg=-0.275) USER MOD Set 1.2: A 81 MET CE :methyl 178:sc= 0 (180deg=0) USER MOD Set 2.1: A 64 SER OG : rot 180:sc= 0.00955 USER MOD Set 2.2: A 131 ASN : amide:sc= 0.0116 X(o=0.021,f=-0.041) USER MOD Set 3.1: A 40 TYR OH : rot -12:sc= 0.491 USER MOD Set 3.2: A 42 GLN : amide:sc= 0.202 K(o=0.69,f=-0.21) USER MOD Set 4.1: A 32 SER OG : rot 92:sc= 0.55 USER MOD Set 4.2: A 126 ASN :FLIP amide:sc= 0.506 F(o=0.041,f=1.1) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot 30:sc= -0.303 USER MOD Single : A 6 THR OG1 : rot 88:sc= 0 USER MOD Single : A -1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot -50:sc= 1.37 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 36 ASN : amide:sc= 0.454 X(o=0.45,f=0) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.0638 X(o=-0.064,f=-0.16) USER MOD Single : A 48 HIS : no HD1:sc=-0.00339 X(o=-0.0034,f=-0.017) USER MOD Single : A 53 GLN : amide:sc= 0.147 K(o=0.15,f=-5.6!) USER MOD Single : A 58 TYR OH : rot 30:sc= -0.0189 USER MOD Single : A 59 CYS SG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 100:sc= 0.687 USER MOD Single : A 70 LYS NZ :NH3+ 144:sc= 0.733 (180deg=0.076) USER MOD Single : A 72 HIS : no HE2:sc= 0.0457 K(o=0.046,f=-0.9) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.00313 USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 95 MET CE :methyl -179:sc= -0.321 (180deg=-0.332) USER MOD Single : A 99 ASN :FLIP amide:sc= -0.0962 F(o=-0.62,f=-0.096) USER MOD Single : A 102 ASN : amide:sc= -0.0435 X(o=-0.044,f=0) USER MOD Single : A 104 LYS NZ :NH3+ -145:sc= 0.0605 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 180:sc=-0.00317 USER MOD Single : A 109 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0193) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 170:sc= 1.11 (180deg=1.02) USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 115 ASN : amide:sc= -0.314 X(o=-0.31,f=0) USER MOD Single : A 117 TYR OH : rot 172:sc= 1.19 USER MOD Single : A 125 HIS : no HD1:sc= -0.0535 X(o=-0.053,f=-0.056) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 SER OG : rot -160:sc= 0 USER MOD Single : A 137 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 4.022 -0.328 -2.489 1.00 0.00 N ATOM 2 CA GLY A -1 2.841 0.384 -1.949 1.00 0.00 C ATOM 3 C GLY A -1 2.366 1.516 -2.854 1.00 0.00 C ATOM 4 O GLY A -1 3.140 2.392 -3.242 1.00 0.00 O ATOM 0 H1 GLY A -1 4.300 -1.086 -1.833 1.00 0.00 H new ATOM 0 H2 GLY A -1 3.786 -0.740 -3.414 1.00 0.00 H new ATOM 0 H3 GLY A -1 4.810 0.341 -2.599 1.00 0.00 H new ATOM 0 HA2 GLY A -1 2.027 -0.327 -1.808 1.00 0.00 H new ATOM 0 HA3 GLY A -1 3.085 0.789 -0.967 1.00 0.00 H new ATOM 8 N GLY A 0 1.075 1.495 -3.187 1.00 0.00 N ATOM 9 CA GLY A 0 0.328 2.532 -3.899 1.00 0.00 C ATOM 10 C GLY A 0 0.172 3.837 -3.117 1.00 0.00 C ATOM 11 O GLY A 0 0.396 3.895 -1.905 1.00 0.00 O ATOM 0 H GLY A 0 0.483 0.699 -2.950 1.00 0.00 H new ATOM 0 HA2 GLY A 0 0.831 2.744 -4.842 1.00 0.00 H new ATOM 0 HA3 GLY A 0 -0.662 2.148 -4.145 1.00 0.00 H new ATOM 15 N ALA A 1 -0.250 4.883 -3.828 1.00 0.00 N ATOM 16 CA ALA A 1 -0.360 6.248 -3.328 1.00 0.00 C ATOM 17 C ALA A 1 -1.286 7.125 -4.201 1.00 0.00 C ATOM 18 O ALA A 1 -1.840 6.675 -5.211 1.00 0.00 O ATOM 19 CB ALA A 1 1.069 6.786 -3.260 1.00 0.00 C ATOM 0 H ALA A 1 -0.534 4.797 -4.804 1.00 0.00 H new ATOM 0 HA ALA A 1 -0.829 6.267 -2.344 1.00 0.00 H new ATOM 0 HB1 ALA A 1 1.055 7.811 -2.890 1.00 0.00 H new ATOM 0 HB2 ALA A 1 1.660 6.166 -2.586 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.513 6.765 -4.255 1.00 0.00 H new ATOM 25 N LEU A 2 -1.439 8.389 -3.803 1.00 0.00 N ATOM 26 CA LEU A 2 -2.378 9.367 -4.362 1.00 0.00 C ATOM 27 C LEU A 2 -1.624 10.619 -4.844 1.00 0.00 C ATOM 28 O LEU A 2 -0.600 10.993 -4.266 1.00 0.00 O ATOM 29 CB LEU A 2 -3.392 9.730 -3.261 1.00 0.00 C ATOM 30 CG LEU A 2 -4.244 8.549 -2.748 1.00 0.00 C ATOM 31 CD1 LEU A 2 -4.926 8.912 -1.431 1.00 0.00 C ATOM 32 CD2 LEU A 2 -5.306 8.111 -3.763 1.00 0.00 C ATOM 0 H LEU A 2 -0.883 8.780 -3.042 1.00 0.00 H new ATOM 0 HA LEU A 2 -2.897 8.946 -5.223 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -2.852 10.163 -2.419 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -4.060 10.502 -3.643 1.00 0.00 H new ATOM 0 HG LEU A 2 -3.560 7.714 -2.595 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -5.522 8.067 -1.085 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -4.170 9.153 -0.684 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -5.574 9.775 -1.583 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -5.878 7.278 -3.354 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -5.977 8.945 -3.970 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -4.819 7.798 -4.687 1.00 0.00 H new ATOM 44 N SER A 3 -2.102 11.257 -5.916 1.00 0.00 N ATOM 45 CA SER A 3 -1.473 12.462 -6.485 1.00 0.00 C ATOM 46 C SER A 3 -1.603 13.682 -5.560 1.00 0.00 C ATOM 47 O SER A 3 -2.443 13.710 -4.661 1.00 0.00 O ATOM 48 CB SER A 3 -2.084 12.754 -7.860 1.00 0.00 C ATOM 49 OG SER A 3 -1.340 13.756 -8.532 1.00 0.00 O ATOM 0 H SER A 3 -2.937 10.955 -6.418 1.00 0.00 H new ATOM 0 HA SER A 3 -0.406 12.266 -6.592 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.101 11.843 -8.458 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.118 13.078 -7.743 1.00 0.00 H new ATOM 0 HG SER A 3 -1.742 13.929 -9.409 1.00 0.00 H new ATOM 55 N TYR A 4 -0.804 14.728 -5.801 1.00 0.00 N ATOM 56 CA TYR A 4 -0.879 15.996 -5.065 1.00 0.00 C ATOM 57 C TYR A 4 -2.304 16.573 -5.031 1.00 0.00 C ATOM 58 O TYR A 4 -2.792 16.975 -3.977 1.00 0.00 O ATOM 59 CB TYR A 4 0.086 17.001 -5.706 1.00 0.00 C ATOM 60 CG TYR A 4 0.077 18.365 -5.039 1.00 0.00 C ATOM 61 CD1 TYR A 4 -0.842 19.347 -5.461 1.00 0.00 C ATOM 62 CD2 TYR A 4 0.957 18.639 -3.974 1.00 0.00 C ATOM 63 CE1 TYR A 4 -0.898 20.593 -4.808 1.00 0.00 C ATOM 64 CE2 TYR A 4 0.901 19.881 -3.312 1.00 0.00 C ATOM 65 CZ TYR A 4 -0.028 20.860 -3.728 1.00 0.00 C ATOM 66 OH TYR A 4 -0.080 22.061 -3.093 1.00 0.00 O ATOM 0 H TYR A 4 -0.080 14.718 -6.519 1.00 0.00 H new ATOM 0 HA TYR A 4 -0.595 15.804 -4.030 1.00 0.00 H new ATOM 0 HB2 TYR A 4 1.097 16.595 -5.669 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -0.172 17.119 -6.758 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -1.506 19.143 -6.288 1.00 0.00 H new ATOM 0 HD2 TYR A 4 1.676 17.895 -3.664 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -1.604 21.343 -5.132 1.00 0.00 H new ATOM 0 HE2 TYR A 4 1.568 20.084 -2.487 1.00 0.00 H new ATOM 0 HH TYR A 4 -0.993 22.415 -3.138 1.00 0.00 H new ATOM 76 N GLU A 5 -2.993 16.558 -6.176 1.00 0.00 N ATOM 77 CA GLU A 5 -4.358 17.038 -6.379 1.00 0.00 C ATOM 78 C GLU A 5 -5.408 16.319 -5.508 1.00 0.00 C ATOM 79 O GLU A 5 -6.504 16.841 -5.300 1.00 0.00 O ATOM 80 CB GLU A 5 -4.608 16.846 -7.883 1.00 0.00 C ATOM 81 CG GLU A 5 -6.057 16.892 -8.353 1.00 0.00 C ATOM 82 CD GLU A 5 -6.776 18.242 -8.130 1.00 0.00 C ATOM 83 OE1 GLU A 5 -6.108 19.298 -7.993 1.00 0.00 O ATOM 84 OE2 GLU A 5 -8.031 18.263 -8.140 1.00 0.00 O ATOM 0 H GLU A 5 -2.586 16.188 -7.035 1.00 0.00 H new ATOM 0 HA GLU A 5 -4.460 18.078 -6.068 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.053 17.615 -8.420 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.186 15.885 -8.177 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -6.086 16.654 -9.416 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -6.615 16.111 -7.837 1.00 0.00 H new ATOM 91 N THR A 6 -5.092 15.128 -4.994 1.00 0.00 N ATOM 92 CA THR A 6 -5.973 14.331 -4.130 1.00 0.00 C ATOM 93 C THR A 6 -6.096 14.940 -2.730 1.00 0.00 C ATOM 94 O THR A 6 -5.334 14.627 -1.814 1.00 0.00 O ATOM 95 CB THR A 6 -5.507 12.866 -4.071 1.00 0.00 C ATOM 96 OG1 THR A 6 -5.330 12.351 -5.376 1.00 0.00 O ATOM 97 CG2 THR A 6 -6.535 11.968 -3.392 1.00 0.00 C ATOM 0 H THR A 6 -4.194 14.678 -5.170 1.00 0.00 H new ATOM 0 HA THR A 6 -6.970 14.346 -4.571 1.00 0.00 H new ATOM 0 HB THR A 6 -4.575 12.867 -3.506 1.00 0.00 H new ATOM 0 HG1 THR A 6 -4.420 12.545 -5.684 1.00 0.00 H new ATOM 0 HG21 THR A 6 -6.166 10.943 -3.372 1.00 0.00 H new ATOM 0 HG22 THR A 6 -6.703 12.313 -2.372 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.473 12.005 -3.946 1.00 0.00 H new ATOM 105 N GLU A 7 -7.044 15.863 -2.558 1.00 0.00 N ATOM 106 CA GLU A 7 -7.285 16.514 -1.268 1.00 0.00 C ATOM 107 C GLU A 7 -8.060 15.621 -0.288 1.00 0.00 C ATOM 108 O GLU A 7 -8.963 14.864 -0.662 1.00 0.00 O ATOM 109 CB GLU A 7 -7.989 17.871 -1.422 1.00 0.00 C ATOM 110 CG GLU A 7 -7.432 18.754 -2.548 1.00 0.00 C ATOM 111 CD GLU A 7 -7.942 20.206 -2.453 1.00 0.00 C ATOM 112 OE1 GLU A 7 -9.177 20.422 -2.409 1.00 0.00 O ATOM 113 OE2 GLU A 7 -7.111 21.145 -2.457 1.00 0.00 O ATOM 0 H GLU A 7 -7.663 16.179 -3.304 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.297 16.691 -0.844 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.049 17.697 -1.605 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.913 18.414 -0.480 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -6.343 18.749 -2.506 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -7.716 18.333 -3.512 1.00 0.00 H new ATOM 120 N ILE A 8 -7.725 15.774 0.992 1.00 0.00 N ATOM 121 CA ILE A 8 -8.223 14.999 2.129 1.00 0.00 C ATOM 122 C ILE A 8 -8.918 15.981 3.076 1.00 0.00 C ATOM 123 O ILE A 8 -8.326 16.988 3.472 1.00 0.00 O ATOM 124 CB ILE A 8 -7.041 14.292 2.847 1.00 0.00 C ATOM 125 CG1 ILE A 8 -6.103 13.504 1.902 1.00 0.00 C ATOM 126 CG2 ILE A 8 -7.523 13.375 3.983 1.00 0.00 C ATOM 127 CD1 ILE A 8 -6.775 12.410 1.065 1.00 0.00 C ATOM 0 H ILE A 8 -7.056 16.488 1.282 1.00 0.00 H new ATOM 0 HA ILE A 8 -8.920 14.228 1.802 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.453 15.109 3.266 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.621 14.210 1.226 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.315 13.047 2.500 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.664 12.901 4.457 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -8.066 13.965 4.722 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.182 12.608 3.576 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -6.029 11.921 0.439 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -7.232 11.674 1.727 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -7.543 12.856 0.433 1.00 0.00 H new ATOM 139 N LEU A 9 -10.178 15.713 3.431 1.00 0.00 N ATOM 140 CA LEU A 9 -10.856 16.465 4.498 1.00 0.00 C ATOM 141 C LEU A 9 -10.124 16.302 5.846 1.00 0.00 C ATOM 142 O LEU A 9 -9.830 15.181 6.270 1.00 0.00 O ATOM 143 CB LEU A 9 -12.328 16.017 4.603 1.00 0.00 C ATOM 144 CG LEU A 9 -13.181 16.920 5.522 1.00 0.00 C ATOM 145 CD1 LEU A 9 -13.523 18.265 4.878 1.00 0.00 C ATOM 146 CD2 LEU A 9 -14.499 16.221 5.859 1.00 0.00 C ATOM 0 H LEU A 9 -10.749 14.986 3.000 1.00 0.00 H new ATOM 0 HA LEU A 9 -10.834 17.525 4.245 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -12.769 16.006 3.606 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -12.363 14.994 4.978 1.00 0.00 H new ATOM 0 HG LEU A 9 -12.583 17.102 6.415 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -14.123 18.857 5.569 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -12.603 18.801 4.645 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -14.087 18.096 3.961 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -15.096 16.863 6.507 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -15.050 16.020 4.940 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -14.292 15.281 6.370 1.00 0.00 H new ATOM 158 N THR A 10 -9.883 17.416 6.543 1.00 0.00 N ATOM 159 CA THR A 10 -9.206 17.456 7.852 1.00 0.00 C ATOM 160 C THR A 10 -9.941 18.332 8.871 1.00 0.00 C ATOM 161 O THR A 10 -10.575 19.326 8.512 1.00 0.00 O ATOM 162 CB THR A 10 -7.743 17.928 7.737 1.00 0.00 C ATOM 163 OG1 THR A 10 -7.663 19.227 7.194 1.00 0.00 O ATOM 164 CG2 THR A 10 -6.875 17.006 6.884 1.00 0.00 C ATOM 0 H THR A 10 -10.158 18.340 6.209 1.00 0.00 H new ATOM 0 HA THR A 10 -9.218 16.427 8.211 1.00 0.00 H new ATOM 0 HB THR A 10 -7.362 17.915 8.758 1.00 0.00 H new ATOM 0 HG1 THR A 10 -8.196 19.272 6.373 1.00 0.00 H new ATOM 0 HG21 THR A 10 -5.858 17.397 6.845 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.864 16.008 7.323 1.00 0.00 H new ATOM 0 HG23 THR A 10 -7.283 16.954 5.874 1.00 0.00 H new ATOM 172 N VAL A 11 -9.852 17.969 10.157 1.00 0.00 N ATOM 173 CA VAL A 11 -10.495 18.721 11.260 1.00 0.00 C ATOM 174 C VAL A 11 -9.733 20.007 11.595 1.00 0.00 C ATOM 175 O VAL A 11 -10.336 21.027 11.931 1.00 0.00 O ATOM 176 CB VAL A 11 -10.637 17.868 12.540 1.00 0.00 C ATOM 177 CG1 VAL A 11 -11.500 18.557 13.608 1.00 0.00 C ATOM 178 CG2 VAL A 11 -11.263 16.495 12.276 1.00 0.00 C ATOM 0 H VAL A 11 -9.334 17.148 10.469 1.00 0.00 H new ATOM 0 HA VAL A 11 -11.490 18.982 10.901 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.614 17.746 12.896 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -11.569 17.917 14.488 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -11.045 19.508 13.885 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -12.499 18.735 13.209 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.337 15.942 13.213 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -12.259 16.625 11.852 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -10.640 15.940 11.575 1.00 0.00 H new ATOM 188 N GLU A 12 -8.402 19.975 11.478 1.00 0.00 N ATOM 189 CA GLU A 12 -7.534 21.125 11.783 1.00 0.00 C ATOM 190 C GLU A 12 -7.748 22.320 10.840 1.00 0.00 C ATOM 191 O GLU A 12 -7.555 23.462 11.264 1.00 0.00 O ATOM 192 CB GLU A 12 -6.062 20.686 11.728 1.00 0.00 C ATOM 193 CG GLU A 12 -5.545 20.132 13.063 1.00 0.00 C ATOM 194 CD GLU A 12 -5.498 21.209 14.165 1.00 0.00 C ATOM 195 OE1 GLU A 12 -4.551 22.034 14.179 1.00 0.00 O ATOM 196 OE2 GLU A 12 -6.402 21.234 15.036 1.00 0.00 O ATOM 0 H GLU A 12 -7.891 19.149 11.168 1.00 0.00 H new ATOM 0 HA GLU A 12 -7.802 21.463 12.784 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.945 19.925 10.957 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -5.447 21.536 11.432 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.187 19.312 13.386 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -4.547 19.718 12.920 1.00 0.00 H new ATOM 203 N TYR A 13 -8.166 22.071 9.590 1.00 0.00 N ATOM 204 CA TYR A 13 -8.305 23.113 8.567 1.00 0.00 C ATOM 205 C TYR A 13 -9.506 22.891 7.629 1.00 0.00 C ATOM 206 O TYR A 13 -10.417 23.724 7.600 1.00 0.00 O ATOM 207 CB TYR A 13 -7.008 23.180 7.747 1.00 0.00 C ATOM 208 CG TYR A 13 -5.747 23.622 8.474 1.00 0.00 C ATOM 209 CD1 TYR A 13 -5.672 24.922 9.014 1.00 0.00 C ATOM 210 CD2 TYR A 13 -4.632 22.761 8.565 1.00 0.00 C ATOM 211 CE1 TYR A 13 -4.497 25.357 9.656 1.00 0.00 C ATOM 212 CE2 TYR A 13 -3.453 23.194 9.204 1.00 0.00 C ATOM 213 CZ TYR A 13 -3.384 24.493 9.752 1.00 0.00 C ATOM 214 OH TYR A 13 -2.247 24.925 10.363 1.00 0.00 O ATOM 0 H TYR A 13 -8.417 21.139 9.261 1.00 0.00 H new ATOM 0 HA TYR A 13 -8.490 24.054 9.084 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -6.825 22.192 7.323 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -7.172 23.860 6.911 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -6.519 25.587 8.935 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -4.683 21.768 8.144 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -4.447 26.351 10.075 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.602 22.532 9.274 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.576 24.211 10.347 1.00 0.00 H new ATOM 224 N GLY A 14 -9.525 21.797 6.856 1.00 0.00 N ATOM 225 CA GLY A 14 -10.546 21.530 5.837 1.00 0.00 C ATOM 226 C GLY A 14 -10.025 20.615 4.728 1.00 0.00 C ATOM 227 O GLY A 14 -9.187 19.747 4.971 1.00 0.00 O ATOM 0 H GLY A 14 -8.821 21.062 6.923 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -11.416 21.071 6.307 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -10.879 22.472 5.402 1.00 0.00 H new ATOM 231 N LEU A 15 -10.529 20.801 3.509 1.00 0.00 N ATOM 232 CA LEU A 15 -10.047 20.132 2.295 1.00 0.00 C ATOM 233 C LEU A 15 -8.648 20.647 1.887 1.00 0.00 C ATOM 234 O LEU A 15 -8.534 21.766 1.377 1.00 0.00 O ATOM 235 CB LEU A 15 -11.070 20.387 1.165 1.00 0.00 C ATOM 236 CG LEU A 15 -12.481 19.819 1.408 1.00 0.00 C ATOM 237 CD1 LEU A 15 -13.414 20.212 0.263 1.00 0.00 C ATOM 238 CD2 LEU A 15 -12.444 18.297 1.503 1.00 0.00 C ATOM 0 H LEU A 15 -11.305 21.438 3.330 1.00 0.00 H new ATOM 0 HA LEU A 15 -9.951 19.063 2.483 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -11.152 21.463 1.009 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -10.679 19.960 0.242 1.00 0.00 H new ATOM 0 HG LEU A 15 -12.848 20.233 2.347 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -14.408 19.804 0.447 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -13.474 21.298 0.199 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -13.027 19.814 -0.675 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -13.452 17.919 1.675 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -12.055 17.884 0.572 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -11.799 18.000 2.330 1.00 0.00 H new ATOM 250 N LEU A 16 -7.593 19.840 2.081 1.00 0.00 N ATOM 251 CA LEU A 16 -6.210 20.160 1.665 1.00 0.00 C ATOM 252 C LEU A 16 -5.495 19.009 0.921 1.00 0.00 C ATOM 253 O LEU A 16 -5.755 17.840 1.215 1.00 0.00 O ATOM 254 CB LEU A 16 -5.381 20.567 2.896 1.00 0.00 C ATOM 255 CG LEU A 16 -5.677 22.009 3.353 1.00 0.00 C ATOM 256 CD1 LEU A 16 -6.238 22.023 4.760 1.00 0.00 C ATOM 257 CD2 LEU A 16 -4.419 22.879 3.331 1.00 0.00 C ATOM 0 H LEU A 16 -7.674 18.932 2.538 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.288 20.984 0.956 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.590 19.879 3.715 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.320 20.473 2.664 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.407 22.414 2.652 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.439 23.051 5.061 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.164 21.449 4.788 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.515 21.579 5.444 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.669 23.888 3.660 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.671 22.454 4.000 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.020 22.916 2.317 1.00 0.00 H new ATOM 269 N PRO A 17 -4.579 19.315 -0.024 1.00 0.00 N ATOM 270 CA PRO A 17 -3.890 18.331 -0.871 1.00 0.00 C ATOM 271 C PRO A 17 -2.957 17.409 -0.074 1.00 0.00 C ATOM 272 O PRO A 17 -2.069 17.884 0.636 1.00 0.00 O ATOM 273 CB PRO A 17 -3.125 19.156 -1.914 1.00 0.00 C ATOM 274 CG PRO A 17 -2.925 20.516 -1.261 1.00 0.00 C ATOM 275 CD PRO A 17 -4.162 20.666 -0.386 1.00 0.00 C ATOM 0 HA PRO A 17 -4.604 17.652 -1.337 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -2.171 18.692 -2.163 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.690 19.242 -2.842 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -2.008 20.549 -0.672 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.857 21.313 -2.002 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -3.939 21.255 0.504 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -4.956 21.187 -0.922 1.00 0.00 H new ATOM 283 N ILE A 18 -3.106 16.085 -0.237 1.00 0.00 N ATOM 284 CA ILE A 18 -2.265 15.078 0.441 1.00 0.00 C ATOM 285 C ILE A 18 -0.766 15.294 0.208 1.00 0.00 C ATOM 286 O ILE A 18 0.037 15.105 1.123 1.00 0.00 O ATOM 287 CB ILE A 18 -2.686 13.639 0.063 1.00 0.00 C ATOM 288 CG1 ILE A 18 -2.038 12.619 1.025 1.00 0.00 C ATOM 289 CG2 ILE A 18 -2.377 13.301 -1.406 1.00 0.00 C ATOM 290 CD1 ILE A 18 -2.571 11.192 0.861 1.00 0.00 C ATOM 0 H ILE A 18 -3.816 15.678 -0.845 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.435 15.213 1.509 1.00 0.00 H new ATOM 0 HB ILE A 18 -3.769 13.578 0.169 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -0.960 12.615 0.864 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.206 12.944 2.052 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.692 12.279 -1.618 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.914 13.990 -2.058 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.306 13.394 -1.583 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -2.070 10.533 1.569 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -3.644 11.180 1.051 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -2.379 10.846 -0.155 1.00 0.00 H new ATOM 302 N GLY A 19 -0.381 15.761 -0.984 1.00 0.00 N ATOM 303 CA GLY A 19 1.018 16.012 -1.304 1.00 0.00 C ATOM 304 C GLY A 19 1.636 17.104 -0.436 1.00 0.00 C ATOM 305 O GLY A 19 2.769 16.949 0.009 1.00 0.00 O ATOM 0 H GLY A 19 -1.027 15.972 -1.744 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.586 15.090 -1.179 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.101 16.297 -2.353 1.00 0.00 H new ATOM 309 N LYS A 20 0.887 18.159 -0.083 1.00 0.00 N ATOM 310 CA LYS A 20 1.405 19.213 0.805 1.00 0.00 C ATOM 311 C LYS A 20 1.541 18.712 2.248 1.00 0.00 C ATOM 312 O LYS A 20 2.475 19.096 2.946 1.00 0.00 O ATOM 313 CB LYS A 20 0.518 20.467 0.694 1.00 0.00 C ATOM 314 CG LYS A 20 1.073 21.647 1.509 1.00 0.00 C ATOM 315 CD LYS A 20 0.375 22.984 1.214 1.00 0.00 C ATOM 316 CE LYS A 20 0.820 23.568 -0.134 1.00 0.00 C ATOM 317 NZ LYS A 20 0.241 24.918 -0.370 1.00 0.00 N ATOM 0 H LYS A 20 -0.073 18.306 -0.396 1.00 0.00 H new ATOM 0 HA LYS A 20 2.411 19.487 0.486 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.434 20.759 -0.353 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.488 20.230 1.040 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.974 21.422 2.571 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.138 21.750 1.303 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.705 22.838 1.209 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.597 23.695 2.010 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.908 23.629 -0.162 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.518 22.897 -0.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.565 25.279 -1.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.797 24.856 -0.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.550 25.565 0.383 1.00 0.00 H new ATOM 331 N ILE A 21 0.665 17.800 2.677 1.00 0.00 N ATOM 332 CA ILE A 21 0.701 17.192 4.015 1.00 0.00 C ATOM 333 C ILE A 21 1.948 16.325 4.166 1.00 0.00 C ATOM 334 O ILE A 21 2.567 16.341 5.222 1.00 0.00 O ATOM 335 CB ILE A 21 -0.588 16.387 4.310 1.00 0.00 C ATOM 336 CG1 ILE A 21 -1.840 17.288 4.157 1.00 0.00 C ATOM 337 CG2 ILE A 21 -0.583 15.731 5.700 1.00 0.00 C ATOM 338 CD1 ILE A 21 -3.173 16.535 4.168 1.00 0.00 C ATOM 0 H ILE A 21 -0.101 17.456 2.098 1.00 0.00 H new ATOM 0 HA ILE A 21 0.749 17.993 4.752 1.00 0.00 H new ATOM 0 HB ILE A 21 -0.622 15.582 3.576 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.845 18.021 4.964 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -1.759 17.844 3.223 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -1.513 15.182 5.846 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.260 15.044 5.775 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.492 16.502 6.466 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -3.993 17.245 4.056 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -3.195 15.822 3.344 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -3.282 16.002 5.112 1.00 0.00 H new ATOM 350 N VAL A 22 2.365 15.615 3.117 1.00 0.00 N ATOM 351 CA VAL A 22 3.529 14.716 3.160 1.00 0.00 C ATOM 352 C VAL A 22 4.844 15.438 2.834 1.00 0.00 C ATOM 353 O VAL A 22 5.852 15.180 3.490 1.00 0.00 O ATOM 354 CB VAL A 22 3.281 13.525 2.222 1.00 0.00 C ATOM 355 CG1 VAL A 22 4.477 12.575 2.149 1.00 0.00 C ATOM 356 CG2 VAL A 22 2.068 12.720 2.722 1.00 0.00 C ATOM 0 H VAL A 22 1.905 15.644 2.207 1.00 0.00 H new ATOM 0 HA VAL A 22 3.644 14.350 4.180 1.00 0.00 H new ATOM 0 HB VAL A 22 3.107 13.938 1.228 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.247 11.752 1.472 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.349 13.115 1.780 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.689 12.180 3.142 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.892 11.875 2.056 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.265 12.353 3.729 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.186 13.361 2.735 1.00 0.00 H new ATOM 366 N GLU A 23 4.858 16.386 1.891 1.00 0.00 N ATOM 367 CA GLU A 23 6.067 17.171 1.564 1.00 0.00 C ATOM 368 C GLU A 23 6.473 18.141 2.682 1.00 0.00 C ATOM 369 O GLU A 23 7.654 18.473 2.815 1.00 0.00 O ATOM 370 CB GLU A 23 5.888 17.970 0.263 1.00 0.00 C ATOM 371 CG GLU A 23 5.880 17.066 -0.976 1.00 0.00 C ATOM 372 CD GLU A 23 5.981 17.845 -2.299 1.00 0.00 C ATOM 373 OE1 GLU A 23 5.566 19.031 -2.379 1.00 0.00 O ATOM 374 OE2 GLU A 23 6.482 17.254 -3.290 1.00 0.00 O ATOM 0 H GLU A 23 4.041 16.634 1.333 1.00 0.00 H new ATOM 0 HA GLU A 23 6.861 16.435 1.441 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.954 18.530 0.308 1.00 0.00 H new ATOM 0 HB3 GLU A 23 6.693 18.700 0.173 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.712 16.365 -0.911 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.964 16.475 -0.980 1.00 0.00 H new ATOM 381 N LYS A 24 5.505 18.568 3.507 1.00 0.00 N ATOM 382 CA LYS A 24 5.699 19.525 4.615 1.00 0.00 C ATOM 383 C LYS A 24 5.413 18.896 5.993 1.00 0.00 C ATOM 384 O LYS A 24 5.484 19.582 7.013 1.00 0.00 O ATOM 385 CB LYS A 24 4.858 20.798 4.379 1.00 0.00 C ATOM 386 CG LYS A 24 4.943 21.439 2.979 1.00 0.00 C ATOM 387 CD LYS A 24 6.355 21.899 2.581 1.00 0.00 C ATOM 388 CE LYS A 24 6.348 22.847 1.369 1.00 0.00 C ATOM 389 NZ LYS A 24 5.882 22.192 0.112 1.00 0.00 N ATOM 0 H LYS A 24 4.539 18.251 3.423 1.00 0.00 H new ATOM 0 HA LYS A 24 6.752 19.808 4.626 1.00 0.00 H new ATOM 0 HB2 LYS A 24 3.814 20.557 4.579 1.00 0.00 H new ATOM 0 HB3 LYS A 24 5.159 21.545 5.113 1.00 0.00 H new ATOM 0 HG2 LYS A 24 4.585 20.721 2.241 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.270 22.296 2.943 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.822 22.402 3.428 1.00 0.00 H new ATOM 0 HD3 LYS A 24 6.966 21.026 2.352 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.705 23.700 1.587 1.00 0.00 H new ATOM 0 HE3 LYS A 24 7.354 23.238 1.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 5.900 22.882 -0.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 6.509 21.395 -0.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.911 21.842 0.242 1.00 0.00 H new ATOM 403 N ARG A 25 5.137 17.581 6.011 1.00 0.00 N ATOM 404 CA ARG A 25 4.892 16.715 7.185 1.00 0.00 C ATOM 405 C ARG A 25 3.880 17.311 8.179 1.00 0.00 C ATOM 406 O ARG A 25 4.138 17.407 9.381 1.00 0.00 O ATOM 407 CB ARG A 25 6.222 16.267 7.818 1.00 0.00 C ATOM 408 CG ARG A 25 7.236 15.685 6.812 1.00 0.00 C ATOM 409 CD ARG A 25 8.207 16.733 6.239 1.00 0.00 C ATOM 410 NE ARG A 25 9.495 16.127 5.841 1.00 0.00 N ATOM 411 CZ ARG A 25 10.534 16.759 5.319 1.00 0.00 C ATOM 412 NH1 ARG A 25 10.479 18.009 4.953 1.00 0.00 N ATOM 413 NH2 ARG A 25 11.669 16.138 5.160 1.00 0.00 N ATOM 0 H ARG A 25 5.074 17.052 5.141 1.00 0.00 H new ATOM 0 HA ARG A 25 4.398 15.809 6.835 1.00 0.00 H new ATOM 0 HB2 ARG A 25 6.676 17.119 8.323 1.00 0.00 H new ATOM 0 HB3 ARG A 25 6.014 15.518 8.582 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.811 14.899 7.302 1.00 0.00 H new ATOM 0 HG3 ARG A 25 6.693 15.218 5.991 1.00 0.00 H new ATOM 0 HD2 ARG A 25 7.751 17.218 5.376 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.385 17.509 6.983 1.00 0.00 H new ATOM 0 HE ARG A 25 9.593 15.122 5.983 1.00 0.00 H new ATOM 0 HH11 ARG A 25 9.613 18.536 5.065 1.00 0.00 H new ATOM 0 HH12 ARG A 25 11.302 18.460 4.555 1.00 0.00 H new ATOM 0 HH21 ARG A 25 11.759 15.161 5.438 1.00 0.00 H new ATOM 0 HH22 ARG A 25 12.467 16.629 4.757 1.00 0.00 H new ATOM 427 N ILE A 26 2.748 17.782 7.647 1.00 0.00 N ATOM 428 CA ILE A 26 1.709 18.515 8.386 1.00 0.00 C ATOM 429 C ILE A 26 0.948 17.544 9.296 1.00 0.00 C ATOM 430 O ILE A 26 0.351 16.567 8.841 1.00 0.00 O ATOM 431 CB ILE A 26 0.756 19.273 7.428 1.00 0.00 C ATOM 432 CG1 ILE A 26 1.567 20.232 6.524 1.00 0.00 C ATOM 433 CG2 ILE A 26 -0.324 20.046 8.214 1.00 0.00 C ATOM 434 CD1 ILE A 26 0.757 20.935 5.431 1.00 0.00 C ATOM 0 H ILE A 26 2.520 17.661 6.660 1.00 0.00 H new ATOM 0 HA ILE A 26 2.186 19.273 9.007 1.00 0.00 H new ATOM 0 HB ILE A 26 0.247 18.542 6.799 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.035 20.990 7.152 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.372 19.668 6.052 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.978 20.568 7.516 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.912 19.347 8.808 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.154 20.770 8.874 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.414 21.584 4.852 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.311 20.190 4.772 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.031 21.532 5.889 1.00 0.00 H new ATOM 446 N GLU A 27 0.954 17.827 10.595 1.00 0.00 N ATOM 447 CA GLU A 27 0.150 17.121 11.593 1.00 0.00 C ATOM 448 C GLU A 27 -1.273 17.690 11.645 1.00 0.00 C ATOM 449 O GLU A 27 -1.501 18.888 11.845 1.00 0.00 O ATOM 450 CB GLU A 27 0.845 17.101 12.967 1.00 0.00 C ATOM 451 CG GLU A 27 1.465 18.439 13.382 1.00 0.00 C ATOM 452 CD GLU A 27 2.022 18.373 14.816 1.00 0.00 C ATOM 453 OE1 GLU A 27 1.226 18.408 15.787 1.00 0.00 O ATOM 454 OE2 GLU A 27 3.264 18.295 14.990 1.00 0.00 O ATOM 0 H GLU A 27 1.529 18.569 10.994 1.00 0.00 H new ATOM 0 HA GLU A 27 0.060 16.078 11.290 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.120 16.800 13.723 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.626 16.341 12.955 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.265 18.702 12.690 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.714 19.227 13.316 1.00 0.00 H new ATOM 461 N CYS A 28 -2.233 16.798 11.414 1.00 0.00 N ATOM 462 CA CYS A 28 -3.661 17.082 11.309 1.00 0.00 C ATOM 463 C CYS A 28 -4.498 15.856 11.726 1.00 0.00 C ATOM 464 O CYS A 28 -3.960 14.821 12.130 1.00 0.00 O ATOM 465 CB CYS A 28 -3.963 17.566 9.872 1.00 0.00 C ATOM 466 SG CYS A 28 -3.483 16.326 8.627 1.00 0.00 S ATOM 0 H CYS A 28 -2.025 15.807 11.289 1.00 0.00 H new ATOM 0 HA CYS A 28 -3.943 17.877 11.999 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -5.027 17.783 9.777 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -3.429 18.497 9.682 1.00 0.00 H new ATOM 0 HG CYS A 28 -3.757 16.776 7.438 1.00 0.00 H new ATOM 472 N THR A 29 -5.821 15.979 11.611 1.00 0.00 N ATOM 473 CA THR A 29 -6.806 14.951 11.993 1.00 0.00 C ATOM 474 C THR A 29 -7.697 14.664 10.786 1.00 0.00 C ATOM 475 O THR A 29 -8.060 15.595 10.070 1.00 0.00 O ATOM 476 CB THR A 29 -7.659 15.444 13.178 1.00 0.00 C ATOM 477 OG1 THR A 29 -6.877 16.106 14.152 1.00 0.00 O ATOM 478 CG2 THR A 29 -8.408 14.339 13.918 1.00 0.00 C ATOM 0 H THR A 29 -6.257 16.822 11.238 1.00 0.00 H new ATOM 0 HA THR A 29 -6.292 14.041 12.301 1.00 0.00 H new ATOM 0 HB THR A 29 -8.377 16.115 12.706 1.00 0.00 H new ATOM 0 HG1 THR A 29 -7.453 16.405 14.886 1.00 0.00 H new ATOM 0 HG21 THR A 29 -8.982 14.774 14.736 1.00 0.00 H new ATOM 0 HG22 THR A 29 -9.084 13.833 13.229 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.693 13.620 14.318 1.00 0.00 H new ATOM 486 N VAL A 30 -8.066 13.402 10.568 1.00 0.00 N ATOM 487 CA VAL A 30 -8.738 12.875 9.359 1.00 0.00 C ATOM 488 C VAL A 30 -10.032 12.141 9.737 1.00 0.00 C ATOM 489 O VAL A 30 -10.313 11.998 10.926 1.00 0.00 O ATOM 490 CB VAL A 30 -7.793 11.963 8.535 1.00 0.00 C ATOM 491 CG1 VAL A 30 -6.459 12.652 8.219 1.00 0.00 C ATOM 492 CG2 VAL A 30 -7.483 10.612 9.197 1.00 0.00 C ATOM 0 H VAL A 30 -7.900 12.673 11.262 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.001 13.722 8.725 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.352 11.772 7.619 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.829 11.977 7.641 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.645 13.558 7.642 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.954 12.912 9.150 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.816 10.037 8.555 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.003 10.781 10.161 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.410 10.058 9.346 1.00 0.00 H new ATOM 502 N TYR A 31 -10.801 11.645 8.759 1.00 0.00 N ATOM 503 CA TYR A 31 -12.127 11.033 8.962 1.00 0.00 C ATOM 504 C TYR A 31 -12.170 9.601 8.418 1.00 0.00 C ATOM 505 O TYR A 31 -11.632 9.326 7.344 1.00 0.00 O ATOM 506 CB TYR A 31 -13.222 11.862 8.270 1.00 0.00 C ATOM 507 CG TYR A 31 -13.409 13.283 8.772 1.00 0.00 C ATOM 508 CD1 TYR A 31 -12.493 14.293 8.417 1.00 0.00 C ATOM 509 CD2 TYR A 31 -14.536 13.601 9.553 1.00 0.00 C ATOM 510 CE1 TYR A 31 -12.703 15.618 8.843 1.00 0.00 C ATOM 511 CE2 TYR A 31 -14.766 14.932 9.957 1.00 0.00 C ATOM 512 CZ TYR A 31 -13.850 15.946 9.595 1.00 0.00 C ATOM 513 OH TYR A 31 -14.071 17.239 9.956 1.00 0.00 O ATOM 0 H TYR A 31 -10.514 11.657 7.780 1.00 0.00 H new ATOM 0 HA TYR A 31 -12.309 11.011 10.037 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -12.998 11.903 7.204 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -14.170 11.334 8.377 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -11.628 14.050 7.817 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -15.227 12.823 9.844 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -11.984 16.385 8.594 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -15.640 15.176 10.542 1.00 0.00 H new ATOM 0 HH TYR A 31 -14.904 17.298 10.469 1.00 0.00 H new ATOM 523 N SER A 32 -12.831 8.698 9.144 1.00 0.00 N ATOM 524 CA SER A 32 -12.931 7.258 8.832 1.00 0.00 C ATOM 525 C SER A 32 -14.105 6.616 9.580 1.00 0.00 C ATOM 526 O SER A 32 -14.418 7.039 10.690 1.00 0.00 O ATOM 527 CB SER A 32 -11.639 6.567 9.300 1.00 0.00 C ATOM 528 OG SER A 32 -11.701 5.152 9.177 1.00 0.00 O ATOM 0 H SER A 32 -13.331 8.951 9.996 1.00 0.00 H new ATOM 0 HA SER A 32 -13.083 7.144 7.759 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.799 6.942 8.716 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.447 6.830 10.340 1.00 0.00 H new ATOM 0 HG SER A 32 -11.346 4.884 8.304 1.00 0.00 H new ATOM 534 N VAL A 33 -14.738 5.575 9.025 1.00 0.00 N ATOM 535 CA VAL A 33 -15.694 4.746 9.796 1.00 0.00 C ATOM 536 C VAL A 33 -14.960 3.825 10.778 1.00 0.00 C ATOM 537 O VAL A 33 -13.780 3.517 10.584 1.00 0.00 O ATOM 538 CB VAL A 33 -16.620 3.882 8.920 1.00 0.00 C ATOM 539 CG1 VAL A 33 -17.478 4.731 7.990 1.00 0.00 C ATOM 540 CG2 VAL A 33 -15.862 2.862 8.073 1.00 0.00 C ATOM 0 H VAL A 33 -14.613 5.283 8.056 1.00 0.00 H new ATOM 0 HA VAL A 33 -16.317 5.463 10.331 1.00 0.00 H new ATOM 0 HB VAL A 33 -17.254 3.348 9.627 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -18.116 4.082 7.390 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -18.099 5.404 8.581 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -16.834 5.315 7.332 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -16.570 2.285 7.479 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -15.171 3.382 7.410 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -15.304 2.191 8.725 1.00 0.00 H new ATOM 550 N ASP A 34 -15.682 3.332 11.787 1.00 0.00 N ATOM 551 CA ASP A 34 -15.257 2.280 12.719 1.00 0.00 C ATOM 552 C ASP A 34 -15.874 0.899 12.397 1.00 0.00 C ATOM 553 O ASP A 34 -16.588 0.717 11.406 1.00 0.00 O ATOM 554 CB ASP A 34 -15.571 2.722 14.166 1.00 0.00 C ATOM 555 CG ASP A 34 -17.030 2.535 14.609 1.00 0.00 C ATOM 556 OD1 ASP A 34 -17.933 2.544 13.743 1.00 0.00 O ATOM 557 OD2 ASP A 34 -17.266 2.317 15.823 1.00 0.00 O ATOM 0 H ASP A 34 -16.623 3.670 11.987 1.00 0.00 H new ATOM 0 HA ASP A 34 -14.181 2.148 12.606 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -14.928 2.164 14.846 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -15.309 3.775 14.272 1.00 0.00 H new ATOM 562 N ASN A 35 -15.622 -0.083 13.272 1.00 0.00 N ATOM 563 CA ASN A 35 -16.192 -1.441 13.195 1.00 0.00 C ATOM 564 C ASN A 35 -17.733 -1.501 13.340 1.00 0.00 C ATOM 565 O ASN A 35 -18.333 -2.542 13.058 1.00 0.00 O ATOM 566 CB ASN A 35 -15.513 -2.335 14.252 1.00 0.00 C ATOM 567 CG ASN A 35 -14.052 -2.638 13.951 1.00 0.00 C ATOM 568 OD1 ASN A 35 -13.637 -2.815 12.811 1.00 0.00 O ATOM 569 ND2 ASN A 35 -13.218 -2.723 14.965 1.00 0.00 N ATOM 0 H ASN A 35 -15.003 0.044 14.072 1.00 0.00 H new ATOM 0 HA ASN A 35 -15.989 -1.807 12.189 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -15.581 -1.848 15.225 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -16.061 -3.274 14.327 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -12.234 -2.935 14.800 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -13.555 -2.577 15.916 1.00 0.00 H new ATOM 576 N ASN A 36 -18.382 -0.404 13.748 1.00 0.00 N ATOM 577 CA ASN A 36 -19.838 -0.257 13.852 1.00 0.00 C ATOM 578 C ASN A 36 -20.432 0.564 12.682 1.00 0.00 C ATOM 579 O ASN A 36 -21.650 0.758 12.628 1.00 0.00 O ATOM 580 CB ASN A 36 -20.174 0.377 15.217 1.00 0.00 C ATOM 581 CG ASN A 36 -19.700 -0.455 16.395 1.00 0.00 C ATOM 582 OD1 ASN A 36 -20.233 -1.519 16.691 1.00 0.00 O ATOM 583 ND2 ASN A 36 -18.696 -0.002 17.114 1.00 0.00 N ATOM 0 H ASN A 36 -17.885 0.442 14.027 1.00 0.00 H new ATOM 0 HA ASN A 36 -20.296 -1.244 13.784 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -19.720 1.366 15.273 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -21.253 0.517 15.290 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -18.362 -0.536 17.916 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -18.252 0.883 16.869 1.00 0.00 H new ATOM 590 N GLY A 37 -19.603 1.051 11.747 1.00 0.00 N ATOM 591 CA GLY A 37 -20.026 1.844 10.588 1.00 0.00 C ATOM 592 C GLY A 37 -20.291 3.327 10.891 1.00 0.00 C ATOM 593 O GLY A 37 -21.162 3.928 10.258 1.00 0.00 O ATOM 0 H GLY A 37 -18.595 0.899 11.779 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -19.258 1.776 9.817 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -20.933 1.403 10.174 1.00 0.00 H new ATOM 597 N ASN A 38 -19.576 3.925 11.855 1.00 0.00 N ATOM 598 CA ASN A 38 -19.782 5.304 12.319 1.00 0.00 C ATOM 599 C ASN A 38 -18.538 6.147 12.024 1.00 0.00 C ATOM 600 O ASN A 38 -17.440 5.818 12.477 1.00 0.00 O ATOM 601 CB ASN A 38 -20.091 5.314 13.829 1.00 0.00 C ATOM 602 CG ASN A 38 -21.500 4.855 14.147 1.00 0.00 C ATOM 603 OD1 ASN A 38 -22.417 5.650 14.314 1.00 0.00 O ATOM 604 ND2 ASN A 38 -21.723 3.565 14.244 1.00 0.00 N ATOM 0 H ASN A 38 -18.819 3.450 12.346 1.00 0.00 H new ATOM 0 HA ASN A 38 -20.631 5.734 11.787 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -19.379 4.669 14.344 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -19.947 6.322 14.217 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -22.660 3.224 14.458 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -20.959 2.904 14.105 1.00 0.00 H new ATOM 611 N ILE A 39 -18.705 7.232 11.261 1.00 0.00 N ATOM 612 CA ILE A 39 -17.627 8.168 10.930 1.00 0.00 C ATOM 613 C ILE A 39 -17.128 8.844 12.217 1.00 0.00 C ATOM 614 O ILE A 39 -17.874 9.554 12.898 1.00 0.00 O ATOM 615 CB ILE A 39 -18.069 9.199 9.868 1.00 0.00 C ATOM 616 CG1 ILE A 39 -18.506 8.503 8.557 1.00 0.00 C ATOM 617 CG2 ILE A 39 -16.898 10.159 9.571 1.00 0.00 C ATOM 618 CD1 ILE A 39 -19.348 9.417 7.663 1.00 0.00 C ATOM 0 H ILE A 39 -19.603 7.488 10.851 1.00 0.00 H new ATOM 0 HA ILE A 39 -16.801 7.613 10.485 1.00 0.00 H new ATOM 0 HB ILE A 39 -18.921 9.752 10.262 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -17.621 8.178 8.009 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -19.079 7.607 8.798 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -17.206 10.888 8.822 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -16.612 10.678 10.486 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -16.048 9.590 9.195 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -19.629 8.881 6.756 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -20.248 9.721 8.198 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -18.768 10.301 7.397 1.00 0.00 H new ATOM 630 N TYR A 40 -15.851 8.632 12.520 1.00 0.00 N ATOM 631 CA TYR A 40 -15.104 9.264 13.611 1.00 0.00 C ATOM 632 C TYR A 40 -13.860 9.998 13.076 1.00 0.00 C ATOM 633 O TYR A 40 -13.566 9.950 11.876 1.00 0.00 O ATOM 634 CB TYR A 40 -14.749 8.211 14.680 1.00 0.00 C ATOM 635 CG TYR A 40 -13.638 7.240 14.303 1.00 0.00 C ATOM 636 CD1 TYR A 40 -12.298 7.551 14.612 1.00 0.00 C ATOM 637 CD2 TYR A 40 -13.935 6.019 13.670 1.00 0.00 C ATOM 638 CE1 TYR A 40 -11.264 6.668 14.257 1.00 0.00 C ATOM 639 CE2 TYR A 40 -12.899 5.130 13.324 1.00 0.00 C ATOM 640 CZ TYR A 40 -11.556 5.462 13.594 1.00 0.00 C ATOM 641 OH TYR A 40 -10.548 4.626 13.232 1.00 0.00 O ATOM 0 H TYR A 40 -15.276 7.981 11.985 1.00 0.00 H new ATOM 0 HA TYR A 40 -15.731 10.020 14.084 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -14.459 8.730 15.594 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -15.646 7.637 14.911 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -12.065 8.473 15.124 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -14.961 5.763 13.449 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -10.240 6.916 14.494 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -13.135 4.189 12.849 1.00 0.00 H new ATOM 0 HH TYR A 40 -9.689 5.088 13.327 1.00 0.00 H new ATOM 651 N THR A 41 -13.120 10.672 13.963 1.00 0.00 N ATOM 652 CA THR A 41 -11.918 11.453 13.615 1.00 0.00 C ATOM 653 C THR A 41 -10.684 11.048 14.424 1.00 0.00 C ATOM 654 O THR A 41 -10.779 10.802 15.628 1.00 0.00 O ATOM 655 CB THR A 41 -12.164 12.966 13.755 1.00 0.00 C ATOM 656 OG1 THR A 41 -12.801 13.294 14.978 1.00 0.00 O ATOM 657 CG2 THR A 41 -13.037 13.496 12.620 1.00 0.00 C ATOM 0 H THR A 41 -13.339 10.693 14.959 1.00 0.00 H new ATOM 0 HA THR A 41 -11.712 11.222 12.570 1.00 0.00 H new ATOM 0 HB THR A 41 -11.178 13.429 13.722 1.00 0.00 H new ATOM 0 HG1 THR A 41 -12.937 14.263 15.027 1.00 0.00 H new ATOM 0 HG21 THR A 41 -13.191 14.567 12.749 1.00 0.00 H new ATOM 0 HG22 THR A 41 -12.543 13.313 11.666 1.00 0.00 H new ATOM 0 HG23 THR A 41 -14.001 12.987 12.634 1.00 0.00 H new ATOM 665 N GLN A 42 -9.519 10.997 13.766 1.00 0.00 N ATOM 666 CA GLN A 42 -8.245 10.531 14.348 1.00 0.00 C ATOM 667 C GLN A 42 -7.019 11.254 13.758 1.00 0.00 C ATOM 668 O GLN A 42 -7.056 11.641 12.586 1.00 0.00 O ATOM 669 CB GLN A 42 -8.118 9.010 14.140 1.00 0.00 C ATOM 670 CG GLN A 42 -8.094 8.564 12.660 1.00 0.00 C ATOM 671 CD GLN A 42 -8.202 7.050 12.452 1.00 0.00 C ATOM 672 OE1 GLN A 42 -8.024 6.229 13.344 1.00 0.00 O ATOM 673 NE2 GLN A 42 -8.528 6.617 11.253 1.00 0.00 N ATOM 0 H GLN A 42 -9.429 11.284 12.791 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.263 10.767 15.412 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.205 8.665 14.625 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -8.951 8.517 14.641 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -8.915 9.050 12.134 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.170 8.916 12.202 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -8.681 7.282 10.495 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -8.628 5.616 11.082 1.00 0.00 H new ATOM 682 N PRO A 43 -5.933 11.458 14.530 1.00 0.00 N ATOM 683 CA PRO A 43 -4.719 12.116 14.046 1.00 0.00 C ATOM 684 C PRO A 43 -3.898 11.229 13.095 1.00 0.00 C ATOM 685 O PRO A 43 -3.938 9.996 13.165 1.00 0.00 O ATOM 686 CB PRO A 43 -3.927 12.480 15.304 1.00 0.00 C ATOM 687 CG PRO A 43 -4.350 11.416 16.313 1.00 0.00 C ATOM 688 CD PRO A 43 -5.807 11.142 15.947 1.00 0.00 C ATOM 0 HA PRO A 43 -4.966 12.995 13.450 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -2.852 12.456 15.122 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -4.169 13.484 15.654 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -3.739 10.517 16.230 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -4.253 11.773 17.338 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -6.068 10.101 16.139 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -6.481 11.755 16.545 1.00 0.00 H new ATOM 696 N VAL A 44 -3.103 11.866 12.227 1.00 0.00 N ATOM 697 CA VAL A 44 -2.085 11.198 11.391 1.00 0.00 C ATOM 698 C VAL A 44 -1.011 10.552 12.280 1.00 0.00 C ATOM 699 O VAL A 44 -0.510 11.187 13.213 1.00 0.00 O ATOM 700 CB VAL A 44 -1.428 12.201 10.416 1.00 0.00 C ATOM 701 CG1 VAL A 44 -0.398 11.515 9.513 1.00 0.00 C ATOM 702 CG2 VAL A 44 -2.465 12.863 9.499 1.00 0.00 C ATOM 0 H VAL A 44 -3.145 12.874 12.080 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.580 10.423 10.806 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.945 12.951 11.043 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.044 12.251 8.841 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.384 11.069 10.127 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.888 10.737 8.928 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.964 13.561 8.828 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.973 12.098 8.913 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.195 13.401 10.104 1.00 0.00 H new ATOM 712 N ALA A 45 -0.636 9.303 11.984 1.00 0.00 N ATOM 713 CA ALA A 45 0.425 8.587 12.698 1.00 0.00 C ATOM 714 C ALA A 45 1.811 8.813 12.061 1.00 0.00 C ATOM 715 O ALA A 45 2.776 9.076 12.781 1.00 0.00 O ATOM 716 CB ALA A 45 0.072 7.094 12.737 1.00 0.00 C ATOM 0 H ALA A 45 -1.064 8.757 11.236 1.00 0.00 H new ATOM 0 HA ALA A 45 0.489 8.979 13.713 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.854 6.549 13.266 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.878 6.958 13.254 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.011 6.713 11.719 1.00 0.00 H new ATOM 722 N GLN A 46 1.909 8.728 10.727 1.00 0.00 N ATOM 723 CA GLN A 46 3.145 8.878 9.940 1.00 0.00 C ATOM 724 C GLN A 46 2.869 9.470 8.541 1.00 0.00 C ATOM 725 O GLN A 46 1.719 9.601 8.118 1.00 0.00 O ATOM 726 CB GLN A 46 3.853 7.510 9.792 1.00 0.00 C ATOM 727 CG GLN A 46 4.466 6.931 11.079 1.00 0.00 C ATOM 728 CD GLN A 46 5.526 7.825 11.734 1.00 0.00 C ATOM 729 OE1 GLN A 46 6.260 8.564 11.087 1.00 0.00 O ATOM 730 NE2 GLN A 46 5.663 7.778 13.044 1.00 0.00 N ATOM 0 H GLN A 46 1.095 8.545 10.140 1.00 0.00 H new ATOM 0 HA GLN A 46 3.790 9.572 10.478 1.00 0.00 H new ATOM 0 HB2 GLN A 46 3.134 6.791 9.399 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.644 7.610 9.048 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.667 6.750 11.798 1.00 0.00 H new ATOM 0 HG3 GLN A 46 4.915 5.964 10.850 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.061 7.169 13.598 1.00 0.00 H new ATOM 0 HE22 GLN A 46 6.371 8.351 13.504 1.00 0.00 H new ATOM 739 N TRP A 47 3.934 9.777 7.796 1.00 0.00 N ATOM 740 CA TRP A 47 3.900 10.354 6.443 1.00 0.00 C ATOM 741 C TRP A 47 4.868 9.572 5.542 1.00 0.00 C ATOM 742 O TRP A 47 6.018 9.339 5.931 1.00 0.00 O ATOM 743 CB TRP A 47 4.299 11.846 6.489 1.00 0.00 C ATOM 744 CG TRP A 47 3.491 12.737 7.387 1.00 0.00 C ATOM 745 CD1 TRP A 47 2.542 13.621 6.991 1.00 0.00 C ATOM 746 CD2 TRP A 47 3.548 12.849 8.843 1.00 0.00 C ATOM 747 NE1 TRP A 47 2.009 14.265 8.090 1.00 0.00 N ATOM 748 CE2 TRP A 47 2.552 13.781 9.265 1.00 0.00 C ATOM 749 CE3 TRP A 47 4.330 12.246 9.857 1.00 0.00 C ATOM 750 CZ2 TRP A 47 2.305 14.042 10.616 1.00 0.00 C ATOM 751 CZ3 TRP A 47 4.082 12.501 11.218 1.00 0.00 C ATOM 752 CH2 TRP A 47 3.064 13.388 11.603 1.00 0.00 C ATOM 0 H TRP A 47 4.886 9.625 8.130 1.00 0.00 H new ATOM 0 HA TRP A 47 2.890 10.283 6.041 1.00 0.00 H new ATOM 0 HB2 TRP A 47 5.342 11.909 6.798 1.00 0.00 H new ATOM 0 HB3 TRP A 47 4.242 12.244 5.476 1.00 0.00 H new ATOM 0 HD1 TRP A 47 2.247 13.796 5.967 1.00 0.00 H new ATOM 0 HE1 TRP A 47 1.306 15.002 8.041 1.00 0.00 H new ATOM 0 HE3 TRP A 47 5.132 11.578 9.581 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 1.534 14.743 10.901 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 4.679 12.011 11.973 1.00 0.00 H new ATOM 0 HH2 TRP A 47 2.865 13.567 12.649 1.00 0.00 H new ATOM 763 N HIS A 48 4.423 9.177 4.345 1.00 0.00 N ATOM 764 CA HIS A 48 5.202 8.352 3.415 1.00 0.00 C ATOM 765 C HIS A 48 5.150 8.924 1.988 1.00 0.00 C ATOM 766 O HIS A 48 4.094 9.309 1.474 1.00 0.00 O ATOM 767 CB HIS A 48 4.695 6.899 3.429 1.00 0.00 C ATOM 768 CG HIS A 48 4.480 6.295 4.797 1.00 0.00 C ATOM 769 ND1 HIS A 48 5.435 5.720 5.608 1.00 0.00 N ATOM 770 CD2 HIS A 48 3.280 6.186 5.452 1.00 0.00 C ATOM 771 CE1 HIS A 48 4.828 5.280 6.725 1.00 0.00 C ATOM 772 NE2 HIS A 48 3.508 5.543 6.678 1.00 0.00 N ATOM 0 H HIS A 48 3.499 9.424 3.990 1.00 0.00 H new ATOM 0 HA HIS A 48 6.241 8.364 3.746 1.00 0.00 H new ATOM 0 HB2 HIS A 48 3.754 6.856 2.881 1.00 0.00 H new ATOM 0 HB3 HIS A 48 5.408 6.279 2.886 1.00 0.00 H new ATOM 0 HD2 HIS A 48 2.325 6.535 5.087 1.00 0.00 H new ATOM 0 HE1 HIS A 48 5.329 4.785 7.544 1.00 0.00 H new ATOM 0 HE2 HIS A 48 2.813 5.320 7.391 1.00 0.00 H new ATOM 780 N ASP A 49 6.312 8.962 1.335 1.00 0.00 N ATOM 781 CA ASP A 49 6.531 9.592 0.031 1.00 0.00 C ATOM 782 C ASP A 49 7.175 8.595 -0.941 1.00 0.00 C ATOM 783 O ASP A 49 8.306 8.135 -0.757 1.00 0.00 O ATOM 784 CB ASP A 49 7.340 10.895 0.172 1.00 0.00 C ATOM 785 CG ASP A 49 8.643 10.773 0.984 1.00 0.00 C ATOM 786 OD1 ASP A 49 8.588 10.751 2.240 1.00 0.00 O ATOM 787 OD2 ASP A 49 9.744 10.765 0.379 1.00 0.00 O ATOM 0 H ASP A 49 7.159 8.539 1.714 1.00 0.00 H new ATOM 0 HA ASP A 49 5.567 9.876 -0.391 1.00 0.00 H new ATOM 0 HB2 ASP A 49 7.585 11.261 -0.825 1.00 0.00 H new ATOM 0 HB3 ASP A 49 6.707 11.648 0.642 1.00 0.00 H new ATOM 792 N ARG A 50 6.403 8.227 -1.970 1.00 0.00 N ATOM 793 CA ARG A 50 6.775 7.232 -2.989 1.00 0.00 C ATOM 794 C ARG A 50 7.708 7.796 -4.055 1.00 0.00 C ATOM 795 O ARG A 50 8.540 7.072 -4.601 1.00 0.00 O ATOM 796 CB ARG A 50 5.497 6.721 -3.647 1.00 0.00 C ATOM 797 CG ARG A 50 4.500 6.090 -2.656 1.00 0.00 C ATOM 798 CD ARG A 50 5.091 4.992 -1.760 1.00 0.00 C ATOM 799 NE ARG A 50 5.743 3.923 -2.545 1.00 0.00 N ATOM 800 CZ ARG A 50 6.397 2.875 -2.088 1.00 0.00 C ATOM 801 NH1 ARG A 50 6.567 2.654 -0.815 1.00 0.00 N ATOM 802 NH2 ARG A 50 6.887 2.016 -2.934 1.00 0.00 N ATOM 0 H ARG A 50 5.476 8.623 -2.123 1.00 0.00 H new ATOM 0 HA ARG A 50 7.317 6.427 -2.493 1.00 0.00 H new ATOM 0 HB2 ARG A 50 5.009 7.548 -4.163 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.759 5.983 -4.405 1.00 0.00 H new ATOM 0 HG2 ARG A 50 4.093 6.877 -2.021 1.00 0.00 H new ATOM 0 HG3 ARG A 50 3.666 5.671 -3.219 1.00 0.00 H new ATOM 0 HD2 ARG A 50 5.817 5.434 -1.077 1.00 0.00 H new ATOM 0 HD3 ARG A 50 4.300 4.560 -1.148 1.00 0.00 H new ATOM 0 HE ARG A 50 5.679 4.007 -3.560 1.00 0.00 H new ATOM 0 HH11 ARG A 50 6.187 3.306 -0.129 1.00 0.00 H new ATOM 0 HH12 ARG A 50 7.080 1.829 -0.505 1.00 0.00 H new ATOM 0 HH21 ARG A 50 6.762 2.159 -3.936 1.00 0.00 H new ATOM 0 HH22 ARG A 50 7.396 1.200 -2.595 1.00 0.00 H new ATOM 816 N GLY A 51 7.554 9.085 -4.356 1.00 0.00 N ATOM 817 CA GLY A 51 8.430 9.846 -5.245 1.00 0.00 C ATOM 818 C GLY A 51 7.955 9.876 -6.696 1.00 0.00 C ATOM 819 O GLY A 51 7.836 10.961 -7.252 1.00 0.00 O ATOM 0 H GLY A 51 6.792 9.646 -3.975 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.508 10.869 -4.876 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.431 9.417 -5.208 1.00 0.00 H new ATOM 823 N GLU A 52 7.655 8.718 -7.300 1.00 0.00 N ATOM 824 CA GLU A 52 7.378 8.573 -8.746 1.00 0.00 C ATOM 825 C GLU A 52 6.904 7.149 -9.083 1.00 0.00 C ATOM 826 O GLU A 52 7.709 6.235 -9.284 1.00 0.00 O ATOM 827 CB GLU A 52 8.618 8.851 -9.619 1.00 0.00 C ATOM 828 CG GLU A 52 8.941 10.320 -9.925 1.00 0.00 C ATOM 829 CD GLU A 52 9.865 10.444 -11.148 1.00 0.00 C ATOM 830 OE1 GLU A 52 9.402 10.213 -12.293 1.00 0.00 O ATOM 831 OE2 GLU A 52 11.071 10.747 -10.980 1.00 0.00 O ATOM 0 H GLU A 52 7.596 7.835 -6.792 1.00 0.00 H new ATOM 0 HA GLU A 52 6.603 9.308 -8.964 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.484 8.409 -9.127 1.00 0.00 H new ATOM 0 HB3 GLU A 52 8.489 8.328 -10.567 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.017 10.868 -10.108 1.00 0.00 H new ATOM 0 HG3 GLU A 52 9.417 10.778 -9.058 1.00 0.00 H new ATOM 838 N GLN A 53 5.587 6.962 -9.162 1.00 0.00 N ATOM 839 CA GLN A 53 4.948 5.707 -9.582 1.00 0.00 C ATOM 840 C GLN A 53 3.890 5.918 -10.675 1.00 0.00 C ATOM 841 O GLN A 53 3.469 7.039 -10.953 1.00 0.00 O ATOM 842 CB GLN A 53 4.347 5.029 -8.346 1.00 0.00 C ATOM 843 CG GLN A 53 5.436 4.853 -7.274 1.00 0.00 C ATOM 844 CD GLN A 53 5.010 4.099 -6.039 1.00 0.00 C ATOM 845 OE1 GLN A 53 5.779 3.377 -5.416 1.00 0.00 O ATOM 846 NE2 GLN A 53 3.843 4.367 -5.508 1.00 0.00 N ATOM 0 H GLN A 53 4.915 7.694 -8.931 1.00 0.00 H new ATOM 0 HA GLN A 53 5.706 5.063 -10.028 1.00 0.00 H new ATOM 0 HB2 GLN A 53 3.528 5.630 -7.951 1.00 0.00 H new ATOM 0 HB3 GLN A 53 3.929 4.059 -8.617 1.00 0.00 H new ATOM 0 HG2 GLN A 53 6.283 4.334 -7.722 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.789 5.839 -6.973 1.00 0.00 H new ATOM 0 HE21 GLN A 53 3.182 4.965 -6.004 1.00 0.00 H new ATOM 0 HE22 GLN A 53 3.595 3.977 -4.599 1.00 0.00 H new ATOM 855 N GLU A 54 3.486 4.827 -11.326 1.00 0.00 N ATOM 856 CA GLU A 54 2.535 4.815 -12.447 1.00 0.00 C ATOM 857 C GLU A 54 1.109 5.253 -12.047 1.00 0.00 C ATOM 858 O GLU A 54 0.356 4.498 -11.426 1.00 0.00 O ATOM 859 CB GLU A 54 2.580 3.444 -13.158 1.00 0.00 C ATOM 860 CG GLU A 54 2.435 2.199 -12.264 1.00 0.00 C ATOM 861 CD GLU A 54 2.681 0.916 -13.079 1.00 0.00 C ATOM 862 OE1 GLU A 54 3.853 0.477 -13.184 1.00 0.00 O ATOM 863 OE2 GLU A 54 1.709 0.328 -13.616 1.00 0.00 O ATOM 0 H GLU A 54 3.820 3.895 -11.083 1.00 0.00 H new ATOM 0 HA GLU A 54 2.850 5.574 -13.163 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.787 3.421 -13.905 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.526 3.370 -13.695 1.00 0.00 H new ATOM 0 HG2 GLU A 54 3.144 2.253 -11.438 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.437 2.173 -11.826 1.00 0.00 H new ATOM 870 N VAL A 55 0.735 6.489 -12.402 1.00 0.00 N ATOM 871 CA VAL A 55 -0.568 7.102 -12.087 1.00 0.00 C ATOM 872 C VAL A 55 -1.560 6.939 -13.242 1.00 0.00 C ATOM 873 O VAL A 55 -1.234 7.133 -14.415 1.00 0.00 O ATOM 874 CB VAL A 55 -0.427 8.599 -11.738 1.00 0.00 C ATOM 875 CG1 VAL A 55 -1.724 9.187 -11.164 1.00 0.00 C ATOM 876 CG2 VAL A 55 0.649 8.820 -10.673 1.00 0.00 C ATOM 0 H VAL A 55 1.346 7.111 -12.932 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.953 6.575 -11.214 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.168 9.091 -12.676 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.575 10.242 -10.934 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.525 9.085 -11.896 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.994 8.652 -10.254 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.725 9.884 -10.448 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.382 8.276 -9.767 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.608 8.458 -11.044 1.00 0.00 H new ATOM 886 N PHE A 56 -2.808 6.652 -12.880 1.00 0.00 N ATOM 887 CA PHE A 56 -3.946 6.453 -13.771 1.00 0.00 C ATOM 888 C PHE A 56 -5.080 7.416 -13.394 1.00 0.00 C ATOM 889 O PHE A 56 -5.352 7.663 -12.215 1.00 0.00 O ATOM 890 CB PHE A 56 -4.390 4.986 -13.692 1.00 0.00 C ATOM 891 CG PHE A 56 -3.347 4.014 -14.213 1.00 0.00 C ATOM 892 CD1 PHE A 56 -2.250 3.651 -13.406 1.00 0.00 C ATOM 893 CD2 PHE A 56 -3.458 3.479 -15.511 1.00 0.00 C ATOM 894 CE1 PHE A 56 -1.259 2.789 -13.903 1.00 0.00 C ATOM 895 CE2 PHE A 56 -2.484 2.584 -15.992 1.00 0.00 C ATOM 896 CZ PHE A 56 -1.371 2.258 -15.199 1.00 0.00 C ATOM 0 H PHE A 56 -3.066 6.546 -11.899 1.00 0.00 H new ATOM 0 HA PHE A 56 -3.664 6.671 -14.801 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.621 4.739 -12.656 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.310 4.861 -14.263 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.171 4.038 -12.401 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.292 3.756 -16.139 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.409 2.534 -13.288 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.593 2.147 -16.973 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.605 1.602 -15.584 1.00 0.00 H new ATOM 906 N GLU A 57 -5.735 7.982 -14.406 1.00 0.00 N ATOM 907 CA GLU A 57 -6.918 8.824 -14.226 1.00 0.00 C ATOM 908 C GLU A 57 -8.077 8.000 -13.648 1.00 0.00 C ATOM 909 O GLU A 57 -8.367 6.907 -14.136 1.00 0.00 O ATOM 910 CB GLU A 57 -7.307 9.437 -15.581 1.00 0.00 C ATOM 911 CG GLU A 57 -8.253 10.634 -15.422 1.00 0.00 C ATOM 912 CD GLU A 57 -8.506 11.308 -16.784 1.00 0.00 C ATOM 913 OE1 GLU A 57 -9.368 10.822 -17.557 1.00 0.00 O ATOM 914 OE2 GLU A 57 -7.843 12.330 -17.090 1.00 0.00 O ATOM 0 H GLU A 57 -5.458 7.869 -15.381 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.694 9.625 -13.521 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.407 9.754 -16.107 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.785 8.677 -16.198 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -9.199 10.303 -14.992 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.822 11.355 -14.727 1.00 0.00 H new ATOM 921 N TYR A 58 -8.764 8.534 -12.638 1.00 0.00 N ATOM 922 CA TYR A 58 -9.927 7.927 -12.006 1.00 0.00 C ATOM 923 C TYR A 58 -11.077 8.945 -12.017 1.00 0.00 C ATOM 924 O TYR A 58 -11.174 9.833 -11.169 1.00 0.00 O ATOM 925 CB TYR A 58 -9.520 7.408 -10.615 1.00 0.00 C ATOM 926 CG TYR A 58 -10.634 6.968 -9.682 1.00 0.00 C ATOM 927 CD1 TYR A 58 -11.877 6.545 -10.189 1.00 0.00 C ATOM 928 CD2 TYR A 58 -10.398 6.925 -8.291 1.00 0.00 C ATOM 929 CE1 TYR A 58 -12.880 6.105 -9.315 1.00 0.00 C ATOM 930 CE2 TYR A 58 -11.407 6.489 -7.411 1.00 0.00 C ATOM 931 CZ TYR A 58 -12.657 6.088 -7.926 1.00 0.00 C ATOM 932 OH TYR A 58 -13.651 5.678 -7.101 1.00 0.00 O ATOM 0 H TYR A 58 -8.514 9.433 -12.226 1.00 0.00 H new ATOM 0 HA TYR A 58 -10.296 7.056 -12.548 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -8.844 6.564 -10.754 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -8.952 8.193 -10.115 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -12.058 6.560 -11.254 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.438 7.228 -7.900 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -13.830 5.777 -9.710 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -11.224 6.462 -6.347 1.00 0.00 H new ATOM 0 HH TYR A 58 -14.211 5.021 -7.565 1.00 0.00 H new ATOM 942 N CYS A 59 -11.940 8.831 -13.028 1.00 0.00 N ATOM 943 CA CYS A 59 -13.126 9.668 -13.195 1.00 0.00 C ATOM 944 C CYS A 59 -14.391 8.869 -12.844 1.00 0.00 C ATOM 945 O CYS A 59 -14.498 7.690 -13.187 1.00 0.00 O ATOM 946 CB CYS A 59 -13.144 10.166 -14.644 1.00 0.00 C ATOM 947 SG CYS A 59 -14.453 11.404 -14.871 1.00 0.00 S ATOM 0 H CYS A 59 -11.830 8.139 -13.769 1.00 0.00 H new ATOM 0 HA CYS A 59 -13.100 10.525 -12.522 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -12.177 10.599 -14.898 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -13.306 9.328 -15.322 1.00 0.00 H new ATOM 0 HG CYS A 59 -14.452 11.816 -16.104 1.00 0.00 H new ATOM 953 N LEU A 60 -15.355 9.509 -12.179 1.00 0.00 N ATOM 954 CA LEU A 60 -16.633 8.909 -11.764 1.00 0.00 C ATOM 955 C LEU A 60 -17.797 9.357 -12.660 1.00 0.00 C ATOM 956 O LEU A 60 -17.725 10.374 -13.349 1.00 0.00 O ATOM 957 CB LEU A 60 -16.910 9.281 -10.288 1.00 0.00 C ATOM 958 CG LEU A 60 -17.131 8.119 -9.300 1.00 0.00 C ATOM 959 CD1 LEU A 60 -16.011 7.092 -9.292 1.00 0.00 C ATOM 960 CD2 LEU A 60 -17.241 8.639 -7.863 1.00 0.00 C ATOM 0 H LEU A 60 -15.269 10.488 -11.904 1.00 0.00 H new ATOM 0 HA LEU A 60 -16.554 7.827 -11.866 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -16.072 9.877 -9.927 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -17.792 9.921 -10.260 1.00 0.00 H new ATOM 0 HG LEU A 60 -18.050 7.644 -9.643 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -16.242 6.308 -8.571 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -15.912 6.654 -10.285 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -15.075 7.576 -9.014 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -17.397 7.801 -7.184 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -16.322 9.159 -7.593 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -18.083 9.328 -7.789 1.00 0.00 H new ATOM 972 N GLU A 61 -18.905 8.617 -12.599 1.00 0.00 N ATOM 973 CA GLU A 61 -20.110 8.879 -13.416 1.00 0.00 C ATOM 974 C GLU A 61 -20.829 10.198 -13.057 1.00 0.00 C ATOM 975 O GLU A 61 -21.554 10.762 -13.880 1.00 0.00 O ATOM 976 CB GLU A 61 -21.080 7.691 -13.295 1.00 0.00 C ATOM 977 CG GLU A 61 -20.567 6.381 -13.925 1.00 0.00 C ATOM 978 CD GLU A 61 -20.661 6.323 -15.467 1.00 0.00 C ATOM 979 OE1 GLU A 61 -20.867 7.363 -16.141 1.00 0.00 O ATOM 980 OE2 GLU A 61 -20.534 5.206 -16.026 1.00 0.00 O ATOM 0 H GLU A 61 -19.001 7.812 -11.980 1.00 0.00 H new ATOM 0 HA GLU A 61 -19.774 8.993 -14.447 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -21.289 7.515 -12.240 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -22.025 7.960 -13.766 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -19.527 6.237 -13.633 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -21.134 5.548 -13.509 1.00 0.00 H new ATOM 987 N ASP A 62 -20.603 10.723 -11.847 1.00 0.00 N ATOM 988 CA ASP A 62 -21.031 12.067 -11.421 1.00 0.00 C ATOM 989 C ASP A 62 -20.179 13.193 -12.045 1.00 0.00 C ATOM 990 O ASP A 62 -20.672 14.305 -12.249 1.00 0.00 O ATOM 991 CB ASP A 62 -20.959 12.136 -9.887 1.00 0.00 C ATOM 992 CG ASP A 62 -21.166 13.552 -9.324 1.00 0.00 C ATOM 993 OD1 ASP A 62 -22.328 14.025 -9.278 1.00 0.00 O ATOM 994 OD2 ASP A 62 -20.162 14.178 -8.903 1.00 0.00 O ATOM 0 H ASP A 62 -20.105 10.215 -11.116 1.00 0.00 H new ATOM 0 HA ASP A 62 -22.051 12.225 -11.770 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -21.714 11.473 -9.466 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -19.989 11.762 -9.560 1.00 0.00 H new ATOM 999 N GLY A 63 -18.904 12.910 -12.346 1.00 0.00 N ATOM 1000 CA GLY A 63 -17.925 13.879 -12.856 1.00 0.00 C ATOM 1001 C GLY A 63 -16.779 14.185 -11.881 1.00 0.00 C ATOM 1002 O GLY A 63 -15.875 14.951 -12.225 1.00 0.00 O ATOM 0 H GLY A 63 -18.515 11.973 -12.238 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -17.504 13.498 -13.787 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -18.441 14.808 -13.096 1.00 0.00 H new ATOM 1006 N SER A 64 -16.797 13.598 -10.675 1.00 0.00 N ATOM 1007 CA SER A 64 -15.676 13.649 -9.723 1.00 0.00 C ATOM 1008 C SER A 64 -14.392 13.087 -10.347 1.00 0.00 C ATOM 1009 O SER A 64 -14.430 12.064 -11.036 1.00 0.00 O ATOM 1010 CB SER A 64 -16.023 12.869 -8.448 1.00 0.00 C ATOM 1011 OG SER A 64 -16.864 13.651 -7.615 1.00 0.00 O ATOM 0 H SER A 64 -17.598 13.069 -10.329 1.00 0.00 H new ATOM 0 HA SER A 64 -15.502 14.694 -9.467 1.00 0.00 H new ATOM 0 HB2 SER A 64 -16.521 11.935 -8.707 1.00 0.00 H new ATOM 0 HB3 SER A 64 -15.111 12.606 -7.913 1.00 0.00 H new ATOM 0 HG SER A 64 -17.082 13.146 -6.804 1.00 0.00 H new ATOM 1017 N LEU A 65 -13.256 13.746 -10.088 1.00 0.00 N ATOM 1018 CA LEU A 65 -11.975 13.479 -10.751 1.00 0.00 C ATOM 1019 C LEU A 65 -10.854 13.273 -9.722 1.00 0.00 C ATOM 1020 O LEU A 65 -10.627 14.111 -8.844 1.00 0.00 O ATOM 1021 CB LEU A 65 -11.665 14.641 -11.716 1.00 0.00 C ATOM 1022 CG LEU A 65 -10.686 14.238 -12.834 1.00 0.00 C ATOM 1023 CD1 LEU A 65 -11.401 13.418 -13.910 1.00 0.00 C ATOM 1024 CD2 LEU A 65 -10.088 15.482 -13.493 1.00 0.00 C ATOM 0 H LEU A 65 -13.201 14.495 -9.398 1.00 0.00 H new ATOM 0 HA LEU A 65 -12.042 12.554 -11.324 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -12.594 14.995 -12.162 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -11.244 15.474 -11.153 1.00 0.00 H new ATOM 0 HG LEU A 65 -9.896 13.640 -12.381 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -10.691 13.144 -14.690 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -11.816 12.515 -13.463 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -12.206 14.011 -14.344 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.398 15.180 -14.281 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -10.887 16.086 -13.922 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.552 16.067 -12.746 1.00 0.00 H new ATOM 1036 N ILE A 66 -10.167 12.137 -9.840 1.00 0.00 N ATOM 1037 CA ILE A 66 -9.206 11.584 -8.878 1.00 0.00 C ATOM 1038 C ILE A 66 -7.997 11.039 -9.670 1.00 0.00 C ATOM 1039 O ILE A 66 -8.130 10.652 -10.834 1.00 0.00 O ATOM 1040 CB ILE A 66 -9.908 10.481 -8.020 1.00 0.00 C ATOM 1041 CG1 ILE A 66 -11.265 10.937 -7.405 1.00 0.00 C ATOM 1042 CG2 ILE A 66 -8.974 10.001 -6.891 1.00 0.00 C ATOM 1043 CD1 ILE A 66 -12.153 9.824 -6.820 1.00 0.00 C ATOM 0 H ILE A 66 -10.271 11.539 -10.660 1.00 0.00 H new ATOM 0 HA ILE A 66 -8.847 12.346 -8.186 1.00 0.00 H new ATOM 0 HB ILE A 66 -10.127 9.664 -8.708 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -11.058 11.660 -6.616 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -11.832 11.459 -8.176 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -9.478 9.234 -6.303 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.063 9.587 -7.324 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -8.720 10.843 -6.247 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -13.069 10.261 -6.422 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -12.403 9.109 -7.603 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -11.617 9.313 -6.020 1.00 0.00 H new ATOM 1055 N ARG A 67 -6.800 11.018 -9.066 1.00 0.00 N ATOM 1056 CA ARG A 67 -5.554 10.522 -9.683 1.00 0.00 C ATOM 1057 C ARG A 67 -4.741 9.697 -8.680 1.00 0.00 C ATOM 1058 O ARG A 67 -4.276 10.224 -7.669 1.00 0.00 O ATOM 1059 CB ARG A 67 -4.741 11.708 -10.237 1.00 0.00 C ATOM 1060 CG ARG A 67 -5.414 12.341 -11.464 1.00 0.00 C ATOM 1061 CD ARG A 67 -4.516 13.393 -12.123 1.00 0.00 C ATOM 1062 NE ARG A 67 -5.023 13.750 -13.467 1.00 0.00 N ATOM 1063 CZ ARG A 67 -5.763 14.789 -13.813 1.00 0.00 C ATOM 1064 NH1 ARG A 67 -6.152 15.693 -12.958 1.00 0.00 N ATOM 1065 NH2 ARG A 67 -6.138 14.939 -15.052 1.00 0.00 N ATOM 0 H ARG A 67 -6.665 11.353 -8.112 1.00 0.00 H new ATOM 0 HA ARG A 67 -5.803 9.861 -10.513 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.623 12.462 -9.459 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -3.741 11.368 -10.506 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.655 11.563 -12.188 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -6.356 12.802 -11.165 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -4.473 14.284 -11.497 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -3.499 13.010 -12.203 1.00 0.00 H new ATOM 0 HE ARG A 67 -4.769 13.113 -14.222 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -5.886 15.615 -11.977 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -6.723 16.479 -13.271 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -5.860 14.254 -15.755 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -6.709 15.741 -15.318 1.00 0.00 H new ATOM 1079 N ALA A 68 -4.584 8.404 -8.959 1.00 0.00 N ATOM 1080 CA ALA A 68 -3.955 7.428 -8.064 1.00 0.00 C ATOM 1081 C ALA A 68 -3.203 6.330 -8.837 1.00 0.00 C ATOM 1082 O ALA A 68 -3.361 6.171 -10.050 1.00 0.00 O ATOM 1083 CB ALA A 68 -5.053 6.811 -7.184 1.00 0.00 C ATOM 0 H ALA A 68 -4.899 7.993 -9.838 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.212 7.938 -7.451 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -4.610 6.080 -6.508 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.537 7.596 -6.603 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.792 6.319 -7.816 1.00 0.00 H new ATOM 1089 N THR A 69 -2.392 5.545 -8.127 1.00 0.00 N ATOM 1090 CA THR A 69 -1.758 4.326 -8.662 1.00 0.00 C ATOM 1091 C THR A 69 -2.707 3.130 -8.619 1.00 0.00 C ATOM 1092 O THR A 69 -3.524 3.015 -7.703 1.00 0.00 O ATOM 1093 CB THR A 69 -0.526 3.945 -7.833 1.00 0.00 C ATOM 1094 OG1 THR A 69 -0.868 3.902 -6.466 1.00 0.00 O ATOM 1095 CG2 THR A 69 0.621 4.929 -8.000 1.00 0.00 C ATOM 0 H THR A 69 -2.150 5.734 -7.154 1.00 0.00 H new ATOM 0 HA THR A 69 -1.484 4.553 -9.692 1.00 0.00 H new ATOM 0 HB THR A 69 -0.197 2.970 -8.193 1.00 0.00 H new ATOM 0 HG1 THR A 69 -1.015 2.972 -6.195 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.466 4.609 -7.390 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.921 4.963 -9.047 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.299 5.921 -7.682 1.00 0.00 H new ATOM 1103 N LYS A 70 -2.493 2.156 -9.508 1.00 0.00 N ATOM 1104 CA LYS A 70 -3.241 0.876 -9.546 1.00 0.00 C ATOM 1105 C LYS A 70 -3.006 -0.051 -8.340 1.00 0.00 C ATOM 1106 O LYS A 70 -3.720 -1.038 -8.182 1.00 0.00 O ATOM 1107 CB LYS A 70 -2.959 0.151 -10.876 1.00 0.00 C ATOM 1108 CG LYS A 70 -3.818 0.749 -12.001 1.00 0.00 C ATOM 1109 CD LYS A 70 -3.402 0.315 -13.417 1.00 0.00 C ATOM 1110 CE LYS A 70 -3.942 -1.034 -13.893 1.00 0.00 C ATOM 1111 NZ LYS A 70 -3.102 -2.186 -13.467 1.00 0.00 N ATOM 0 H LYS A 70 -1.785 2.227 -10.238 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.296 1.139 -9.478 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.903 0.239 -11.129 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -3.174 -0.912 -10.771 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.858 0.465 -11.838 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.771 1.836 -11.939 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.727 1.082 -14.120 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -2.313 0.283 -13.460 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.953 -1.169 -13.509 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.012 -1.027 -14.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -3.713 -2.999 -13.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -2.446 -2.440 -14.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -2.559 -1.925 -12.619 1.00 0.00 H new ATOM 1125 N ASP A 71 -2.046 0.279 -7.477 1.00 0.00 N ATOM 1126 CA ASP A 71 -1.705 -0.452 -6.251 1.00 0.00 C ATOM 1127 C ASP A 71 -2.378 0.139 -4.997 1.00 0.00 C ATOM 1128 O ASP A 71 -2.332 -0.483 -3.933 1.00 0.00 O ATOM 1129 CB ASP A 71 -0.179 -0.433 -6.072 1.00 0.00 C ATOM 1130 CG ASP A 71 0.535 -1.341 -7.083 1.00 0.00 C ATOM 1131 OD1 ASP A 71 0.572 -2.576 -6.861 1.00 0.00 O ATOM 1132 OD2 ASP A 71 1.081 -0.824 -8.087 1.00 0.00 O ATOM 0 H ASP A 71 -1.457 1.100 -7.617 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.075 -1.472 -6.359 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.185 0.588 -6.183 1.00 0.00 H new ATOM 0 HB3 ASP A 71 0.070 -0.752 -5.060 1.00 0.00 H new ATOM 1137 N HIS A 72 -2.989 1.329 -5.092 1.00 0.00 N ATOM 1138 CA HIS A 72 -3.696 1.927 -3.957 1.00 0.00 C ATOM 1139 C HIS A 72 -5.100 1.305 -3.865 1.00 0.00 C ATOM 1140 O HIS A 72 -5.795 1.194 -4.883 1.00 0.00 O ATOM 1141 CB HIS A 72 -3.772 3.452 -4.112 1.00 0.00 C ATOM 1142 CG HIS A 72 -4.118 4.147 -2.812 1.00 0.00 C ATOM 1143 ND1 HIS A 72 -5.365 4.327 -2.256 1.00 0.00 N ATOM 1144 CD2 HIS A 72 -3.215 4.622 -1.897 1.00 0.00 C ATOM 1145 CE1 HIS A 72 -5.206 4.900 -1.048 1.00 0.00 C ATOM 1146 NE2 HIS A 72 -3.907 5.108 -0.785 1.00 0.00 N ATOM 0 H HIS A 72 -3.006 1.893 -5.942 1.00 0.00 H new ATOM 0 HA HIS A 72 -3.154 1.722 -3.034 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -2.815 3.826 -4.477 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -4.520 3.701 -4.865 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -6.254 4.071 -2.685 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -2.142 4.621 -2.016 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -6.015 5.157 -0.381 1.00 0.00 H new ATOM 1154 N LYS A 73 -5.526 0.891 -2.666 1.00 0.00 N ATOM 1155 CA LYS A 73 -6.864 0.321 -2.449 1.00 0.00 C ATOM 1156 C LYS A 73 -7.899 1.411 -2.155 1.00 0.00 C ATOM 1157 O LYS A 73 -7.573 2.553 -1.824 1.00 0.00 O ATOM 1158 CB LYS A 73 -6.836 -0.781 -1.366 1.00 0.00 C ATOM 1159 CG LYS A 73 -5.934 -1.980 -1.719 1.00 0.00 C ATOM 1160 CD LYS A 73 -4.646 -1.963 -0.881 1.00 0.00 C ATOM 1161 CE LYS A 73 -3.775 -3.189 -1.171 1.00 0.00 C ATOM 1162 NZ LYS A 73 -2.610 -3.253 -0.245 1.00 0.00 N ATOM 0 H LYS A 73 -4.957 0.941 -1.821 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.178 -0.159 -3.376 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -6.494 -0.346 -0.427 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -7.852 -1.139 -1.200 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -6.474 -2.910 -1.544 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -5.683 -1.952 -2.779 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -4.082 -1.055 -1.096 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -4.900 -1.937 0.179 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -4.373 -4.095 -1.071 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -3.422 -3.152 -2.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -2.038 -4.093 -0.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -2.028 -2.398 -0.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -2.949 -3.312 0.736 1.00 0.00 H new ATOM 1176 N PHE A 74 -9.167 1.040 -2.237 1.00 0.00 N ATOM 1177 CA PHE A 74 -10.300 1.898 -1.898 1.00 0.00 C ATOM 1178 C PHE A 74 -11.398 1.067 -1.223 1.00 0.00 C ATOM 1179 O PHE A 74 -11.568 -0.116 -1.521 1.00 0.00 O ATOM 1180 CB PHE A 74 -10.820 2.602 -3.161 1.00 0.00 C ATOM 1181 CG PHE A 74 -9.913 3.664 -3.772 1.00 0.00 C ATOM 1182 CD1 PHE A 74 -8.828 3.310 -4.608 1.00 0.00 C ATOM 1183 CD2 PHE A 74 -10.182 5.027 -3.533 1.00 0.00 C ATOM 1184 CE1 PHE A 74 -8.015 4.309 -5.173 1.00 0.00 C ATOM 1185 CE2 PHE A 74 -9.378 6.022 -4.115 1.00 0.00 C ATOM 1186 CZ PHE A 74 -8.292 5.666 -4.931 1.00 0.00 C ATOM 0 H PHE A 74 -9.448 0.110 -2.549 1.00 0.00 H new ATOM 0 HA PHE A 74 -9.980 2.667 -1.195 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -11.014 1.843 -3.919 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -11.777 3.067 -2.923 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -8.623 2.270 -4.813 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -11.010 5.308 -2.899 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -7.176 4.033 -5.794 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.596 7.064 -3.934 1.00 0.00 H new ATOM 0 HZ PHE A 74 -7.671 6.432 -5.371 1.00 0.00 H new ATOM 1196 N MET A 75 -12.132 1.690 -0.296 1.00 0.00 N ATOM 1197 CA MET A 75 -13.202 1.059 0.484 1.00 0.00 C ATOM 1198 C MET A 75 -14.492 0.972 -0.350 1.00 0.00 C ATOM 1199 O MET A 75 -15.190 1.973 -0.549 1.00 0.00 O ATOM 1200 CB MET A 75 -13.397 1.875 1.770 1.00 0.00 C ATOM 1201 CG MET A 75 -14.542 1.373 2.655 1.00 0.00 C ATOM 1202 SD MET A 75 -14.863 2.429 4.095 1.00 0.00 S ATOM 1203 CE MET A 75 -13.670 1.754 5.275 1.00 0.00 C ATOM 0 H MET A 75 -11.995 2.673 -0.061 1.00 0.00 H new ATOM 0 HA MET A 75 -12.935 0.036 0.751 1.00 0.00 H new ATOM 0 HB2 MET A 75 -12.471 1.856 2.345 1.00 0.00 H new ATOM 0 HB3 MET A 75 -13.586 2.915 1.504 1.00 0.00 H new ATOM 0 HG2 MET A 75 -15.450 1.304 2.056 1.00 0.00 H new ATOM 0 HG3 MET A 75 -14.310 0.365 2.999 1.00 0.00 H new ATOM 0 HE1 MET A 75 -13.481 2.486 6.060 1.00 0.00 H new ATOM 0 HE2 MET A 75 -14.072 0.842 5.717 1.00 0.00 H new ATOM 0 HE3 MET A 75 -12.737 1.527 4.759 1.00 0.00 H new ATOM 1213 N THR A 76 -14.817 -0.222 -0.853 1.00 0.00 N ATOM 1214 CA THR A 76 -16.069 -0.455 -1.598 1.00 0.00 C ATOM 1215 C THR A 76 -17.299 -0.364 -0.696 1.00 0.00 C ATOM 1216 O THR A 76 -17.185 -0.339 0.533 1.00 0.00 O ATOM 1217 CB THR A 76 -16.091 -1.814 -2.313 1.00 0.00 C ATOM 1218 OG1 THR A 76 -16.098 -2.872 -1.379 1.00 0.00 O ATOM 1219 CG2 THR A 76 -14.904 -1.972 -3.255 1.00 0.00 C ATOM 0 H THR A 76 -14.230 -1.051 -0.760 1.00 0.00 H new ATOM 0 HA THR A 76 -16.104 0.337 -2.346 1.00 0.00 H new ATOM 0 HB THR A 76 -17.006 -1.851 -2.904 1.00 0.00 H new ATOM 0 HG1 THR A 76 -16.114 -3.728 -1.855 1.00 0.00 H new ATOM 0 HG21 THR A 76 -14.954 -2.946 -3.743 1.00 0.00 H new ATOM 0 HG22 THR A 76 -14.931 -1.186 -4.010 1.00 0.00 H new ATOM 0 HG23 THR A 76 -13.977 -1.897 -2.687 1.00 0.00 H new ATOM 1227 N VAL A 77 -18.497 -0.370 -1.291 1.00 0.00 N ATOM 1228 CA VAL A 77 -19.766 -0.396 -0.539 1.00 0.00 C ATOM 1229 C VAL A 77 -19.935 -1.588 0.414 1.00 0.00 C ATOM 1230 O VAL A 77 -20.688 -1.496 1.385 1.00 0.00 O ATOM 1231 CB VAL A 77 -20.991 -0.320 -1.463 1.00 0.00 C ATOM 1232 CG1 VAL A 77 -21.058 1.047 -2.142 1.00 0.00 C ATOM 1233 CG2 VAL A 77 -21.011 -1.437 -2.513 1.00 0.00 C ATOM 0 H VAL A 77 -18.619 -0.357 -2.304 1.00 0.00 H new ATOM 0 HA VAL A 77 -19.706 0.499 0.080 1.00 0.00 H new ATOM 0 HB VAL A 77 -21.871 -0.459 -0.835 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -21.931 1.087 -2.794 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -21.135 1.826 -1.384 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -20.156 1.204 -2.733 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -21.898 -1.334 -3.137 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -20.119 -1.367 -3.136 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -21.030 -2.406 -2.013 1.00 0.00 H new ATOM 1243 N ASP A 78 -19.228 -2.694 0.167 1.00 0.00 N ATOM 1244 CA ASP A 78 -19.211 -3.880 1.035 1.00 0.00 C ATOM 1245 C ASP A 78 -18.105 -3.826 2.110 1.00 0.00 C ATOM 1246 O ASP A 78 -18.011 -4.728 2.949 1.00 0.00 O ATOM 1247 CB ASP A 78 -19.072 -5.136 0.159 1.00 0.00 C ATOM 1248 CG ASP A 78 -20.323 -5.375 -0.700 1.00 0.00 C ATOM 1249 OD1 ASP A 78 -21.390 -5.722 -0.133 1.00 0.00 O ATOM 1250 OD2 ASP A 78 -20.249 -5.242 -1.946 1.00 0.00 O ATOM 0 H ASP A 78 -18.638 -2.794 -0.659 1.00 0.00 H new ATOM 0 HA ASP A 78 -20.152 -3.910 1.584 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -18.201 -5.033 -0.488 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -18.896 -6.004 0.794 1.00 0.00 H new ATOM 1255 N GLY A 79 -17.264 -2.782 2.109 1.00 0.00 N ATOM 1256 CA GLY A 79 -16.177 -2.595 3.075 1.00 0.00 C ATOM 1257 C GLY A 79 -14.905 -3.378 2.729 1.00 0.00 C ATOM 1258 O GLY A 79 -14.074 -3.612 3.608 1.00 0.00 O ATOM 0 H GLY A 79 -17.323 -2.030 1.422 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -15.935 -1.534 3.136 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -16.524 -2.900 4.062 1.00 0.00 H new ATOM 1262 N GLN A 80 -14.753 -3.809 1.474 1.00 0.00 N ATOM 1263 CA GLN A 80 -13.574 -4.518 0.979 1.00 0.00 C ATOM 1264 C GLN A 80 -12.501 -3.508 0.533 1.00 0.00 C ATOM 1265 O GLN A 80 -12.771 -2.646 -0.304 1.00 0.00 O ATOM 1266 CB GLN A 80 -13.992 -5.420 -0.195 1.00 0.00 C ATOM 1267 CG GLN A 80 -15.110 -6.414 0.167 1.00 0.00 C ATOM 1268 CD GLN A 80 -15.486 -7.291 -1.023 1.00 0.00 C ATOM 1269 OE1 GLN A 80 -16.522 -7.131 -1.657 1.00 0.00 O ATOM 1270 NE2 GLN A 80 -14.652 -8.243 -1.378 1.00 0.00 N ATOM 0 H GLN A 80 -15.465 -3.670 0.757 1.00 0.00 H new ATOM 0 HA GLN A 80 -13.151 -5.134 1.772 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -14.326 -4.795 -1.023 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -13.122 -5.975 -0.545 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -14.785 -7.043 0.995 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -15.988 -5.866 0.509 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -13.787 -8.384 -0.856 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -14.870 -8.841 -2.175 1.00 0.00 H new ATOM 1279 N MET A 81 -11.284 -3.614 1.076 1.00 0.00 N ATOM 1280 CA MET A 81 -10.105 -2.856 0.633 1.00 0.00 C ATOM 1281 C MET A 81 -9.473 -3.541 -0.590 1.00 0.00 C ATOM 1282 O MET A 81 -8.646 -4.445 -0.444 1.00 0.00 O ATOM 1283 CB MET A 81 -9.069 -2.708 1.767 1.00 0.00 C ATOM 1284 CG MET A 81 -9.560 -1.846 2.935 1.00 0.00 C ATOM 1285 SD MET A 81 -10.631 -2.694 4.131 1.00 0.00 S ATOM 1286 CE MET A 81 -11.886 -1.410 4.362 1.00 0.00 C ATOM 0 H MET A 81 -11.085 -4.243 1.854 1.00 0.00 H new ATOM 0 HA MET A 81 -10.430 -1.854 0.354 1.00 0.00 H new ATOM 0 HB2 MET A 81 -8.808 -3.698 2.141 1.00 0.00 H new ATOM 0 HB3 MET A 81 -8.157 -2.270 1.361 1.00 0.00 H new ATOM 0 HG2 MET A 81 -8.692 -1.453 3.465 1.00 0.00 H new ATOM 0 HG3 MET A 81 -10.101 -0.990 2.531 1.00 0.00 H new ATOM 0 HE1 MET A 81 -12.655 -1.771 5.045 1.00 0.00 H new ATOM 0 HE2 MET A 81 -11.420 -0.517 4.779 1.00 0.00 H new ATOM 0 HE3 MET A 81 -12.340 -1.168 3.401 1.00 0.00 H new ATOM 1296 N LEU A 82 -9.869 -3.121 -1.797 1.00 0.00 N ATOM 1297 CA LEU A 82 -9.398 -3.691 -3.073 1.00 0.00 C ATOM 1298 C LEU A 82 -8.706 -2.624 -3.945 1.00 0.00 C ATOM 1299 O LEU A 82 -9.114 -1.459 -3.902 1.00 0.00 O ATOM 1300 CB LEU A 82 -10.578 -4.310 -3.854 1.00 0.00 C ATOM 1301 CG LEU A 82 -11.423 -5.334 -3.071 1.00 0.00 C ATOM 1302 CD1 LEU A 82 -12.634 -5.760 -3.901 1.00 0.00 C ATOM 1303 CD2 LEU A 82 -10.622 -6.585 -2.702 1.00 0.00 C ATOM 0 H LEU A 82 -10.538 -2.361 -1.921 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.671 -4.468 -2.837 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -11.232 -3.505 -4.189 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.186 -4.795 -4.748 1.00 0.00 H new ATOM 0 HG LEU A 82 -11.740 -4.844 -2.151 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -13.224 -6.484 -3.339 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -13.247 -4.887 -4.125 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -12.295 -6.214 -4.832 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -11.260 -7.276 -2.152 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -10.262 -7.068 -3.611 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -9.772 -6.303 -2.081 1.00 0.00 H new ATOM 1315 N PRO A 83 -7.684 -2.991 -4.746 1.00 0.00 N ATOM 1316 CA PRO A 83 -7.007 -2.071 -5.662 1.00 0.00 C ATOM 1317 C PRO A 83 -7.939 -1.599 -6.781 1.00 0.00 C ATOM 1318 O PRO A 83 -8.770 -2.361 -7.279 1.00 0.00 O ATOM 1319 CB PRO A 83 -5.817 -2.849 -6.233 1.00 0.00 C ATOM 1320 CG PRO A 83 -6.274 -4.303 -6.141 1.00 0.00 C ATOM 1321 CD PRO A 83 -7.114 -4.327 -4.868 1.00 0.00 C ATOM 0 HA PRO A 83 -6.686 -1.169 -5.141 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -5.602 -2.559 -7.261 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -4.908 -2.675 -5.657 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -6.857 -4.597 -7.013 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -5.428 -4.987 -6.078 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -7.897 -5.083 -4.930 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -6.502 -4.572 -4.000 1.00 0.00 H new ATOM 1329 N ILE A 84 -7.758 -0.356 -7.233 1.00 0.00 N ATOM 1330 CA ILE A 84 -8.569 0.233 -8.313 1.00 0.00 C ATOM 1331 C ILE A 84 -8.517 -0.545 -9.645 1.00 0.00 C ATOM 1332 O ILE A 84 -9.501 -0.568 -10.386 1.00 0.00 O ATOM 1333 CB ILE A 84 -8.228 1.726 -8.480 1.00 0.00 C ATOM 1334 CG1 ILE A 84 -9.236 2.372 -9.446 1.00 0.00 C ATOM 1335 CG2 ILE A 84 -6.777 1.938 -8.938 1.00 0.00 C ATOM 1336 CD1 ILE A 84 -9.308 3.891 -9.348 1.00 0.00 C ATOM 0 H ILE A 84 -7.046 0.275 -6.864 1.00 0.00 H new ATOM 0 HA ILE A 84 -9.611 0.148 -8.005 1.00 0.00 H new ATOM 0 HB ILE A 84 -8.309 2.214 -7.509 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -8.972 2.097 -10.467 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -10.226 1.959 -9.251 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -6.581 3.005 -9.043 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -6.097 1.515 -8.199 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -6.623 1.445 -9.898 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -10.041 4.267 -10.061 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -9.604 4.177 -8.339 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -8.330 4.317 -9.574 1.00 0.00 H new ATOM 1348 N ASP A 85 -7.413 -1.253 -9.910 1.00 0.00 N ATOM 1349 CA ASP A 85 -7.285 -2.213 -11.017 1.00 0.00 C ATOM 1350 C ASP A 85 -8.404 -3.272 -11.023 1.00 0.00 C ATOM 1351 O ASP A 85 -8.886 -3.660 -12.090 1.00 0.00 O ATOM 1352 CB ASP A 85 -5.916 -2.897 -10.907 1.00 0.00 C ATOM 1353 CG ASP A 85 -5.738 -4.054 -11.906 1.00 0.00 C ATOM 1354 OD1 ASP A 85 -5.471 -3.785 -13.102 1.00 0.00 O ATOM 1355 OD2 ASP A 85 -5.805 -5.234 -11.487 1.00 0.00 O ATOM 0 H ASP A 85 -6.564 -1.174 -9.350 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.375 -1.664 -11.954 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -5.133 -2.158 -11.073 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -5.786 -3.277 -9.893 1.00 0.00 H new ATOM 1360 N GLU A 86 -8.846 -3.707 -9.840 1.00 0.00 N ATOM 1361 CA GLU A 86 -9.935 -4.680 -9.702 1.00 0.00 C ATOM 1362 C GLU A 86 -11.311 -3.999 -9.691 1.00 0.00 C ATOM 1363 O GLU A 86 -12.263 -4.546 -10.251 1.00 0.00 O ATOM 1364 CB GLU A 86 -9.702 -5.543 -8.449 1.00 0.00 C ATOM 1365 CG GLU A 86 -10.667 -6.736 -8.390 1.00 0.00 C ATOM 1366 CD GLU A 86 -10.156 -7.838 -7.442 1.00 0.00 C ATOM 1367 OE1 GLU A 86 -9.200 -8.566 -7.810 1.00 0.00 O ATOM 1368 OE2 GLU A 86 -10.724 -8.012 -6.338 1.00 0.00 O ATOM 0 H GLU A 86 -8.459 -3.395 -8.949 1.00 0.00 H new ATOM 0 HA GLU A 86 -9.932 -5.335 -10.574 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -8.674 -5.906 -8.444 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -9.828 -4.930 -7.557 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -11.647 -6.395 -8.056 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -10.797 -7.148 -9.391 1.00 0.00 H new ATOM 1375 N ILE A 87 -11.431 -2.782 -9.143 1.00 0.00 N ATOM 1376 CA ILE A 87 -12.700 -2.040 -9.103 1.00 0.00 C ATOM 1377 C ILE A 87 -13.216 -1.752 -10.521 1.00 0.00 C ATOM 1378 O ILE A 87 -14.416 -1.860 -10.775 1.00 0.00 O ATOM 1379 CB ILE A 87 -12.526 -0.746 -8.275 1.00 0.00 C ATOM 1380 CG1 ILE A 87 -12.077 -1.109 -6.840 1.00 0.00 C ATOM 1381 CG2 ILE A 87 -13.840 0.050 -8.236 1.00 0.00 C ATOM 1382 CD1 ILE A 87 -11.768 0.087 -5.939 1.00 0.00 C ATOM 0 H ILE A 87 -10.651 -2.283 -8.715 1.00 0.00 H new ATOM 0 HA ILE A 87 -13.456 -2.654 -8.613 1.00 0.00 H new ATOM 0 HB ILE A 87 -11.764 -0.123 -8.745 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -12.859 -1.706 -6.371 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -11.189 -1.738 -6.901 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -13.698 0.957 -7.649 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -14.134 0.317 -9.251 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -14.621 -0.559 -7.780 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -11.462 -0.268 -4.955 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -10.963 0.675 -6.379 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -12.659 0.708 -5.840 1.00 0.00 H new ATOM 1394 N PHE A 88 -12.317 -1.442 -11.462 1.00 0.00 N ATOM 1395 CA PHE A 88 -12.678 -1.196 -12.864 1.00 0.00 C ATOM 1396 C PHE A 88 -13.183 -2.452 -13.602 1.00 0.00 C ATOM 1397 O PHE A 88 -14.064 -2.347 -14.457 1.00 0.00 O ATOM 1398 CB PHE A 88 -11.474 -0.576 -13.586 1.00 0.00 C ATOM 1399 CG PHE A 88 -11.763 -0.126 -15.007 1.00 0.00 C ATOM 1400 CD1 PHE A 88 -12.450 1.081 -15.257 1.00 0.00 C ATOM 1401 CD2 PHE A 88 -11.354 -0.930 -16.088 1.00 0.00 C ATOM 1402 CE1 PHE A 88 -12.687 1.497 -16.580 1.00 0.00 C ATOM 1403 CE2 PHE A 88 -11.595 -0.515 -17.411 1.00 0.00 C ATOM 1404 CZ PHE A 88 -12.254 0.703 -17.656 1.00 0.00 C ATOM 0 H PHE A 88 -11.318 -1.354 -11.274 1.00 0.00 H new ATOM 0 HA PHE A 88 -13.520 -0.504 -12.871 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -11.121 0.280 -13.011 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -10.662 -1.303 -13.605 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -12.794 1.686 -14.432 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -10.853 -1.869 -15.901 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -13.202 2.427 -16.769 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -11.274 -1.132 -18.238 1.00 0.00 H new ATOM 0 HZ PHE A 88 -12.427 1.028 -18.671 1.00 0.00 H new ATOM 1414 N GLU A 89 -12.678 -3.645 -13.262 1.00 0.00 N ATOM 1415 CA GLU A 89 -13.114 -4.911 -13.881 1.00 0.00 C ATOM 1416 C GLU A 89 -14.403 -5.455 -13.258 1.00 0.00 C ATOM 1417 O GLU A 89 -15.278 -5.951 -13.975 1.00 0.00 O ATOM 1418 CB GLU A 89 -12.030 -5.992 -13.752 1.00 0.00 C ATOM 1419 CG GLU A 89 -10.840 -5.746 -14.687 1.00 0.00 C ATOM 1420 CD GLU A 89 -9.946 -6.996 -14.789 1.00 0.00 C ATOM 1421 OE1 GLU A 89 -9.292 -7.377 -13.787 1.00 0.00 O ATOM 1422 OE2 GLU A 89 -9.891 -7.617 -15.880 1.00 0.00 O ATOM 0 H GLU A 89 -11.956 -3.763 -12.551 1.00 0.00 H new ATOM 0 HA GLU A 89 -13.298 -4.680 -14.930 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -11.677 -6.026 -12.721 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -12.466 -6.967 -13.972 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -11.203 -5.473 -15.678 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -10.253 -4.904 -14.319 1.00 0.00 H new ATOM 1429 N ARG A 90 -14.534 -5.355 -11.928 1.00 0.00 N ATOM 1430 CA ARG A 90 -15.747 -5.753 -11.197 1.00 0.00 C ATOM 1431 C ARG A 90 -16.885 -4.731 -11.316 1.00 0.00 C ATOM 1432 O ARG A 90 -18.026 -5.063 -10.993 1.00 0.00 O ATOM 1433 CB ARG A 90 -15.402 -6.028 -9.722 1.00 0.00 C ATOM 1434 CG ARG A 90 -14.350 -7.125 -9.476 1.00 0.00 C ATOM 1435 CD ARG A 90 -14.618 -8.450 -10.202 1.00 0.00 C ATOM 1436 NE ARG A 90 -15.993 -8.954 -10.008 1.00 0.00 N ATOM 1437 CZ ARG A 90 -16.512 -9.487 -8.914 1.00 0.00 C ATOM 1438 NH1 ARG A 90 -15.811 -9.693 -7.834 1.00 0.00 N ATOM 1439 NH2 ARG A 90 -17.770 -9.827 -8.883 1.00 0.00 N ATOM 0 H ARG A 90 -13.796 -4.993 -11.324 1.00 0.00 H new ATOM 0 HA ARG A 90 -16.117 -6.668 -11.660 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -15.046 -5.101 -9.272 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -16.318 -6.304 -9.199 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -13.375 -6.749 -9.785 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -14.292 -7.319 -8.405 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -14.434 -8.316 -11.268 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -13.910 -9.200 -9.849 1.00 0.00 H new ATOM 0 HE ARG A 90 -16.616 -8.883 -10.813 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -14.823 -9.440 -7.811 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -16.251 -10.107 -7.012 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -18.358 -9.682 -9.704 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -18.167 -10.238 -8.038 1.00 0.00 H new ATOM 1453 N GLU A 91 -16.593 -3.513 -11.790 1.00 0.00 N ATOM 1454 CA GLU A 91 -17.536 -2.385 -11.896 1.00 0.00 C ATOM 1455 C GLU A 91 -18.222 -2.039 -10.554 1.00 0.00 C ATOM 1456 O GLU A 91 -19.372 -1.589 -10.518 1.00 0.00 O ATOM 1457 CB GLU A 91 -18.539 -2.603 -13.049 1.00 0.00 C ATOM 1458 CG GLU A 91 -17.874 -2.928 -14.399 1.00 0.00 C ATOM 1459 CD GLU A 91 -18.894 -3.015 -15.553 1.00 0.00 C ATOM 1460 OE1 GLU A 91 -19.796 -2.145 -15.658 1.00 0.00 O ATOM 1461 OE2 GLU A 91 -18.787 -3.942 -16.393 1.00 0.00 O ATOM 0 H GLU A 91 -15.659 -3.274 -12.124 1.00 0.00 H new ATOM 0 HA GLU A 91 -16.949 -1.501 -12.146 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -19.214 -3.416 -12.782 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -19.149 -1.707 -13.162 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -17.134 -2.162 -14.630 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -17.339 -3.874 -14.319 1.00 0.00 H new ATOM 1468 N LEU A 92 -17.531 -2.282 -9.433 1.00 0.00 N ATOM 1469 CA LEU A 92 -18.054 -2.033 -8.086 1.00 0.00 C ATOM 1470 C LEU A 92 -18.028 -0.534 -7.749 1.00 0.00 C ATOM 1471 O LEU A 92 -17.010 0.142 -7.894 1.00 0.00 O ATOM 1472 CB LEU A 92 -17.261 -2.861 -7.053 1.00 0.00 C ATOM 1473 CG LEU A 92 -17.563 -4.372 -7.125 1.00 0.00 C ATOM 1474 CD1 LEU A 92 -16.548 -5.161 -6.295 1.00 0.00 C ATOM 1475 CD2 LEU A 92 -18.964 -4.721 -6.612 1.00 0.00 C ATOM 0 H LEU A 92 -16.584 -2.661 -9.437 1.00 0.00 H new ATOM 0 HA LEU A 92 -19.097 -2.349 -8.051 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -16.194 -2.702 -7.211 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -17.492 -2.498 -6.051 1.00 0.00 H new ATOM 0 HG LEU A 92 -17.500 -4.641 -8.179 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -16.776 -6.225 -6.357 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -15.545 -4.982 -6.681 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -16.600 -4.839 -5.255 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -19.121 -5.797 -6.686 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -19.058 -4.412 -5.571 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -19.711 -4.203 -7.213 1.00 0.00 H new ATOM 1487 N ASP A 93 -19.158 -0.005 -7.282 1.00 0.00 N ATOM 1488 CA ASP A 93 -19.241 1.356 -6.738 1.00 0.00 C ATOM 1489 C ASP A 93 -18.515 1.495 -5.377 1.00 0.00 C ATOM 1490 O ASP A 93 -18.424 0.544 -4.590 1.00 0.00 O ATOM 1491 CB ASP A 93 -20.705 1.843 -6.701 1.00 0.00 C ATOM 1492 CG ASP A 93 -21.759 0.750 -6.464 1.00 0.00 C ATOM 1493 OD1 ASP A 93 -21.922 0.286 -5.314 1.00 0.00 O ATOM 1494 OD2 ASP A 93 -22.455 0.362 -7.434 1.00 0.00 O ATOM 0 H ASP A 93 -20.046 -0.507 -7.269 1.00 0.00 H new ATOM 0 HA ASP A 93 -18.703 2.020 -7.415 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -20.801 2.592 -5.915 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -20.928 2.340 -7.645 1.00 0.00 H new ATOM 1499 N LEU A 94 -17.974 2.692 -5.099 1.00 0.00 N ATOM 1500 CA LEU A 94 -17.326 3.013 -3.817 1.00 0.00 C ATOM 1501 C LEU A 94 -18.327 3.468 -2.749 1.00 0.00 C ATOM 1502 O LEU A 94 -19.401 3.995 -3.057 1.00 0.00 O ATOM 1503 CB LEU A 94 -16.230 4.091 -3.989 1.00 0.00 C ATOM 1504 CG LEU A 94 -14.887 3.614 -4.574 1.00 0.00 C ATOM 1505 CD1 LEU A 94 -13.811 4.636 -4.201 1.00 0.00 C ATOM 1506 CD2 LEU A 94 -14.415 2.259 -4.043 1.00 0.00 C ATOM 0 H LEU A 94 -17.974 3.468 -5.761 1.00 0.00 H new ATOM 0 HA LEU A 94 -16.866 2.086 -3.476 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -16.623 4.878 -4.633 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -16.038 4.542 -3.015 1.00 0.00 H new ATOM 0 HG LEU A 94 -15.042 3.512 -5.648 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -12.850 4.317 -4.606 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -14.074 5.609 -4.615 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -13.741 4.710 -3.116 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -13.463 1.998 -4.506 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -14.289 2.316 -2.962 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -15.156 1.496 -4.283 1.00 0.00 H new ATOM 1518 N MET A 95 -17.947 3.302 -1.475 1.00 0.00 N ATOM 1519 CA MET A 95 -18.712 3.841 -0.352 1.00 0.00 C ATOM 1520 C MET A 95 -18.456 5.345 -0.184 1.00 0.00 C ATOM 1521 O MET A 95 -17.312 5.808 -0.238 1.00 0.00 O ATOM 1522 CB MET A 95 -18.383 3.068 0.933 1.00 0.00 C ATOM 1523 CG MET A 95 -19.418 3.363 2.029 1.00 0.00 C ATOM 1524 SD MET A 95 -19.812 1.980 3.141 1.00 0.00 S ATOM 1525 CE MET A 95 -18.158 1.526 3.721 1.00 0.00 C ATOM 0 H MET A 95 -17.107 2.794 -1.199 1.00 0.00 H new ATOM 0 HA MET A 95 -19.774 3.715 -0.561 1.00 0.00 H new ATOM 0 HB2 MET A 95 -18.363 1.998 0.724 1.00 0.00 H new ATOM 0 HB3 MET A 95 -17.388 3.343 1.283 1.00 0.00 H new ATOM 0 HG2 MET A 95 -19.054 4.196 2.631 1.00 0.00 H new ATOM 0 HG3 MET A 95 -20.340 3.694 1.551 1.00 0.00 H new ATOM 0 HE1 MET A 95 -18.231 0.677 4.400 1.00 0.00 H new ATOM 0 HE2 MET A 95 -17.535 1.256 2.868 1.00 0.00 H new ATOM 0 HE3 MET A 95 -17.711 2.372 4.244 1.00 0.00 H new ATOM 1535 N ARG A 96 -19.539 6.097 0.037 1.00 0.00 N ATOM 1536 CA ARG A 96 -19.550 7.566 0.145 1.00 0.00 C ATOM 1537 C ARG A 96 -19.700 8.059 1.592 1.00 0.00 C ATOM 1538 O ARG A 96 -20.075 7.306 2.492 1.00 0.00 O ATOM 1539 CB ARG A 96 -20.618 8.183 -0.791 1.00 0.00 C ATOM 1540 CG ARG A 96 -22.028 7.600 -0.621 1.00 0.00 C ATOM 1541 CD ARG A 96 -22.290 6.378 -1.522 1.00 0.00 C ATOM 1542 NE ARG A 96 -23.136 5.388 -0.811 1.00 0.00 N ATOM 1543 CZ ARG A 96 -24.458 5.357 -0.724 1.00 0.00 C ATOM 1544 NH1 ARG A 96 -25.226 6.231 -1.303 1.00 0.00 N ATOM 1545 NH2 ARG A 96 -25.045 4.423 -0.032 1.00 0.00 N ATOM 0 H ARG A 96 -20.467 5.689 0.150 1.00 0.00 H new ATOM 0 HA ARG A 96 -18.572 7.914 -0.186 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -20.660 9.258 -0.615 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -20.302 8.041 -1.825 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -22.173 7.313 0.421 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -22.763 8.373 -0.844 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -22.783 6.694 -2.442 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -21.344 5.919 -1.809 1.00 0.00 H new ATOM 0 HE ARG A 96 -22.639 4.639 -0.330 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -24.816 6.984 -1.855 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -26.239 6.164 -1.206 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -24.487 3.714 0.444 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -26.063 4.400 0.034 1.00 0.00 H new ATOM 1559 N VAL A 97 -19.440 9.353 1.779 1.00 0.00 N ATOM 1560 CA VAL A 97 -19.440 10.075 3.070 1.00 0.00 C ATOM 1561 C VAL A 97 -20.447 11.240 3.102 1.00 0.00 C ATOM 1562 O VAL A 97 -20.873 11.666 4.175 1.00 0.00 O ATOM 1563 CB VAL A 97 -17.996 10.545 3.362 1.00 0.00 C ATOM 1564 CG1 VAL A 97 -17.663 11.913 2.760 1.00 0.00 C ATOM 1565 CG2 VAL A 97 -17.673 10.590 4.851 1.00 0.00 C ATOM 0 H VAL A 97 -19.210 9.967 0.997 1.00 0.00 H new ATOM 0 HA VAL A 97 -19.772 9.397 3.856 1.00 0.00 H new ATOM 0 HB VAL A 97 -17.379 9.788 2.879 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -16.634 12.178 3.005 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -17.779 11.872 1.677 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -18.338 12.665 3.169 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -16.646 10.927 4.990 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -18.353 11.281 5.350 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -17.789 9.594 5.279 1.00 0.00 H new ATOM 1575 N ASP A 98 -20.881 11.709 1.924 1.00 0.00 N ATOM 1576 CA ASP A 98 -21.838 12.812 1.730 1.00 0.00 C ATOM 1577 C ASP A 98 -23.202 12.317 1.201 1.00 0.00 C ATOM 1578 O ASP A 98 -24.029 13.114 0.752 1.00 0.00 O ATOM 1579 CB ASP A 98 -21.208 13.878 0.812 1.00 0.00 C ATOM 1580 CG ASP A 98 -20.142 14.717 1.532 1.00 0.00 C ATOM 1581 OD1 ASP A 98 -20.483 15.406 2.526 1.00 0.00 O ATOM 1582 OD2 ASP A 98 -18.972 14.737 1.079 1.00 0.00 O ATOM 0 H ASP A 98 -20.562 11.314 1.040 1.00 0.00 H new ATOM 0 HA ASP A 98 -22.048 13.266 2.699 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -20.758 13.389 -0.052 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -21.990 14.536 0.435 1.00 0.00 H new ATOM 1587 N ASN A 99 -23.465 10.999 1.278 1.00 0.00 N ATOM 1588 CA ASN A 99 -24.747 10.347 0.896 1.00 0.00 C ATOM 1589 C ASN A 99 -25.064 10.453 -0.610 1.00 0.00 C ATOM 1590 O ASN A 99 -26.187 10.195 -1.055 1.00 0.00 O ATOM 1591 CB ASN A 99 -25.919 10.811 1.791 1.00 0.00 C ATOM 1592 CG ASN A 99 -25.475 11.014 3.222 1.00 0.00 C ATOM 1593 OD1 ASN A 99 -25.097 12.228 3.545 1.00 0.00 O flip ATOM 1594 ND2 ASN A 99 -25.353 10.088 4.014 1.00 0.00 N flip ATOM 0 H ASN A 99 -22.773 10.331 1.618 1.00 0.00 H new ATOM 0 HA ASN A 99 -24.612 9.281 1.082 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -26.330 11.742 1.401 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -26.719 10.071 1.758 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -25.651 9.149 3.750 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -24.954 10.256 4.937 1.00 0.00 H new ATOM 1601 N LEU A 100 -24.038 10.833 -1.375 1.00 0.00 N ATOM 1602 CA LEU A 100 -23.965 10.808 -2.846 1.00 0.00 C ATOM 1603 C LEU A 100 -24.524 9.498 -3.451 1.00 0.00 C ATOM 1604 O LEU A 100 -24.482 8.454 -2.792 1.00 0.00 O ATOM 1605 CB LEU A 100 -22.485 10.971 -3.245 1.00 0.00 C ATOM 1606 CG LEU A 100 -21.943 12.401 -3.068 1.00 0.00 C ATOM 1607 CD1 LEU A 100 -20.423 12.372 -2.940 1.00 0.00 C ATOM 1608 CD2 LEU A 100 -22.317 13.281 -4.263 1.00 0.00 C ATOM 0 H LEU A 100 -23.177 11.191 -0.961 1.00 0.00 H new ATOM 0 HA LEU A 100 -24.580 11.619 -3.237 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -21.881 10.288 -2.648 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -22.365 10.674 -4.287 1.00 0.00 H new ATOM 0 HG LEU A 100 -22.388 12.816 -2.164 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -20.049 13.388 -2.815 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -20.142 11.773 -2.074 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -19.990 11.934 -3.840 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -21.922 14.286 -4.113 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -21.894 12.857 -5.174 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -23.402 13.328 -4.355 1.00 0.00 H new ATOM 1620 N PRO A 101 -24.999 9.498 -4.709 1.00 0.00 N ATOM 1621 CA PRO A 101 -25.496 8.286 -5.365 1.00 0.00 C ATOM 1622 C PRO A 101 -24.363 7.264 -5.561 1.00 0.00 C ATOM 1623 O PRO A 101 -23.204 7.643 -5.738 1.00 0.00 O ATOM 1624 CB PRO A 101 -26.093 8.769 -6.693 1.00 0.00 C ATOM 1625 CG PRO A 101 -25.312 10.047 -7.005 1.00 0.00 C ATOM 1626 CD PRO A 101 -24.993 10.626 -5.627 1.00 0.00 C ATOM 0 HA PRO A 101 -26.245 7.764 -4.770 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -25.971 8.025 -7.480 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -27.161 8.966 -6.603 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -24.404 9.833 -7.569 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -25.903 10.741 -7.603 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -24.023 11.124 -5.628 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -25.734 11.371 -5.335 1.00 0.00 H new ATOM 1634 N ASN A 102 -24.675 5.963 -5.529 1.00 0.00 N ATOM 1635 CA ASN A 102 -23.685 4.908 -5.781 1.00 0.00 C ATOM 1636 C ASN A 102 -23.252 4.894 -7.258 1.00 0.00 C ATOM 1637 O ASN A 102 -24.084 4.752 -8.159 1.00 0.00 O ATOM 1638 CB ASN A 102 -24.246 3.539 -5.365 1.00 0.00 C ATOM 1639 CG ASN A 102 -24.351 3.379 -3.861 1.00 0.00 C ATOM 1640 OD1 ASN A 102 -25.432 3.254 -3.301 1.00 0.00 O ATOM 1641 ND2 ASN A 102 -23.242 3.379 -3.152 1.00 0.00 N ATOM 0 H ASN A 102 -25.612 5.613 -5.330 1.00 0.00 H new ATOM 0 HA ASN A 102 -22.802 5.119 -5.178 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -25.232 3.405 -5.810 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -23.606 2.752 -5.766 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -23.285 3.275 -2.138 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -22.340 3.483 -3.616 1.00 0.00 H new ATOM 1648 N ILE A 103 -21.943 5.032 -7.489 1.00 0.00 N ATOM 1649 CA ILE A 103 -21.317 5.197 -8.810 1.00 0.00 C ATOM 1650 C ILE A 103 -19.912 4.581 -8.835 1.00 0.00 C ATOM 1651 O ILE A 103 -19.222 4.516 -7.813 1.00 0.00 O ATOM 1652 CB ILE A 103 -21.259 6.692 -9.219 1.00 0.00 C ATOM 1653 CG1 ILE A 103 -20.667 7.580 -8.098 1.00 0.00 C ATOM 1654 CG2 ILE A 103 -22.644 7.182 -9.677 1.00 0.00 C ATOM 1655 CD1 ILE A 103 -20.663 9.075 -8.418 1.00 0.00 C ATOM 0 H ILE A 103 -21.260 5.032 -6.731 1.00 0.00 H new ATOM 0 HA ILE A 103 -21.936 4.669 -9.535 1.00 0.00 H new ATOM 0 HB ILE A 103 -20.578 6.780 -10.066 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -21.236 7.417 -7.183 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -19.644 7.260 -7.899 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -22.583 8.233 -9.960 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -22.973 6.594 -10.534 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -23.359 7.067 -8.862 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -20.232 9.625 -7.581 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -20.069 9.254 -9.314 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -21.685 9.414 -8.587 1.00 0.00 H new ATOM 1667 N LYS A 104 -19.493 4.142 -10.026 1.00 0.00 N ATOM 1668 CA LYS A 104 -18.212 3.470 -10.294 1.00 0.00 C ATOM 1669 C LYS A 104 -17.374 4.256 -11.308 1.00 0.00 C ATOM 1670 O LYS A 104 -17.781 5.321 -11.774 1.00 0.00 O ATOM 1671 CB LYS A 104 -18.489 1.988 -10.649 1.00 0.00 C ATOM 1672 CG LYS A 104 -19.237 1.687 -11.967 1.00 0.00 C ATOM 1673 CD LYS A 104 -18.329 1.718 -13.205 1.00 0.00 C ATOM 1674 CE LYS A 104 -19.030 1.175 -14.454 1.00 0.00 C ATOM 1675 NZ LYS A 104 -18.098 1.137 -15.618 1.00 0.00 N ATOM 0 H LYS A 104 -20.060 4.249 -10.867 1.00 0.00 H new ATOM 0 HA LYS A 104 -17.581 3.454 -9.405 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -17.532 1.468 -10.682 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -19.062 1.550 -9.832 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -19.706 0.706 -11.894 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -20.039 2.414 -12.095 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -18.005 2.742 -13.389 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -17.432 1.130 -13.010 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -19.410 0.173 -14.255 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -19.890 1.800 -14.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -18.622 1.353 -16.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -17.345 1.842 -15.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -17.676 0.190 -15.694 1.00 0.00 H new ATOM 1689 N ILE A 105 -16.186 3.745 -11.625 1.00 0.00 N ATOM 1690 CA ILE A 105 -15.223 4.371 -12.549 1.00 0.00 C ATOM 1691 C ILE A 105 -15.826 4.490 -13.963 1.00 0.00 C ATOM 1692 O ILE A 105 -16.029 3.495 -14.664 1.00 0.00 O ATOM 1693 CB ILE A 105 -13.912 3.556 -12.586 1.00 0.00 C ATOM 1694 CG1 ILE A 105 -13.277 3.343 -11.196 1.00 0.00 C ATOM 1695 CG2 ILE A 105 -12.882 4.240 -13.506 1.00 0.00 C ATOM 1696 CD1 ILE A 105 -12.423 2.083 -11.114 1.00 0.00 C ATOM 0 H ILE A 105 -15.851 2.862 -11.240 1.00 0.00 H new ATOM 0 HA ILE A 105 -14.999 5.375 -12.189 1.00 0.00 H new ATOM 0 HB ILE A 105 -14.184 2.574 -12.972 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -12.662 4.208 -10.948 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -14.067 3.288 -10.447 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -11.963 3.654 -13.522 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -13.286 4.309 -14.516 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -12.668 5.241 -13.131 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -12.005 1.991 -10.111 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -13.039 1.211 -11.332 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -11.613 2.145 -11.840 1.00 0.00 H new ATOM 1708 N ALA A 106 -16.116 5.719 -14.374 1.00 0.00 N ATOM 1709 CA ALA A 106 -16.686 6.059 -15.678 1.00 0.00 C ATOM 1710 C ALA A 106 -15.656 5.904 -16.808 1.00 0.00 C ATOM 1711 O ALA A 106 -15.970 5.363 -17.872 1.00 0.00 O ATOM 1712 CB ALA A 106 -17.196 7.503 -15.615 1.00 0.00 C ATOM 0 H ALA A 106 -15.956 6.539 -13.788 1.00 0.00 H new ATOM 0 HA ALA A 106 -17.504 5.374 -15.900 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -17.626 7.779 -16.578 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -17.958 7.586 -14.840 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -16.367 8.172 -15.383 1.00 0.00 H new ATOM 1718 N THR A 107 -14.420 6.348 -16.554 1.00 0.00 N ATOM 1719 CA THR A 107 -13.268 6.230 -17.468 1.00 0.00 C ATOM 1720 C THR A 107 -11.954 6.097 -16.689 1.00 0.00 C ATOM 1721 O THR A 107 -11.795 6.664 -15.601 1.00 0.00 O ATOM 1722 CB THR A 107 -13.144 7.432 -18.434 1.00 0.00 C ATOM 1723 OG1 THR A 107 -13.354 8.669 -17.787 1.00 0.00 O ATOM 1724 CG2 THR A 107 -14.125 7.379 -19.604 1.00 0.00 C ATOM 0 H THR A 107 -14.182 6.815 -15.679 1.00 0.00 H new ATOM 0 HA THR A 107 -13.450 5.330 -18.056 1.00 0.00 H new ATOM 0 HB THR A 107 -12.122 7.356 -18.806 1.00 0.00 H new ATOM 0 HG1 THR A 107 -13.264 9.397 -18.436 1.00 0.00 H new ATOM 0 HG21 THR A 107 -13.981 8.253 -20.239 1.00 0.00 H new ATOM 0 HG22 THR A 107 -13.949 6.474 -20.186 1.00 0.00 H new ATOM 0 HG23 THR A 107 -15.146 7.372 -19.223 1.00 0.00 H new ATOM 1732 N ARG A 108 -11.003 5.361 -17.279 1.00 0.00 N ATOM 1733 CA ARG A 108 -9.630 5.164 -16.785 1.00 0.00 C ATOM 1734 C ARG A 108 -8.646 5.119 -17.961 1.00 0.00 C ATOM 1735 O ARG A 108 -8.941 4.524 -19.001 1.00 0.00 O ATOM 1736 CB ARG A 108 -9.565 3.859 -15.967 1.00 0.00 C ATOM 1737 CG ARG A 108 -8.212 3.661 -15.245 1.00 0.00 C ATOM 1738 CD ARG A 108 -8.006 2.238 -14.717 1.00 0.00 C ATOM 1739 NE ARG A 108 -8.027 1.252 -15.817 1.00 0.00 N ATOM 1740 CZ ARG A 108 -7.036 0.886 -16.612 1.00 0.00 C ATOM 1741 NH1 ARG A 108 -5.811 1.292 -16.435 1.00 0.00 N ATOM 1742 NH2 ARG A 108 -7.264 0.102 -17.626 1.00 0.00 N ATOM 0 H ARG A 108 -11.175 4.864 -18.153 1.00 0.00 H new ATOM 0 HA ARG A 108 -9.350 5.999 -16.142 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -10.367 3.860 -15.229 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -9.743 3.013 -16.630 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -7.403 3.906 -15.933 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -8.147 4.362 -14.413 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -7.054 2.177 -14.189 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -8.787 1.998 -13.995 1.00 0.00 H new ATOM 0 HE ARG A 108 -8.923 0.794 -15.985 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -5.588 1.916 -15.660 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -5.075 0.986 -17.072 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -8.210 -0.232 -17.810 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -6.497 -0.178 -18.237 1.00 0.00 H new ATOM 1756 N LYS A 109 -7.472 5.726 -17.771 1.00 0.00 N ATOM 1757 CA LYS A 109 -6.328 5.723 -18.706 1.00 0.00 C ATOM 1758 C LYS A 109 -5.028 6.074 -17.973 1.00 0.00 C ATOM 1759 O LYS A 109 -5.047 6.824 -16.995 1.00 0.00 O ATOM 1760 CB LYS A 109 -6.623 6.711 -19.857 1.00 0.00 C ATOM 1761 CG LYS A 109 -5.509 6.757 -20.919 1.00 0.00 C ATOM 1762 CD LYS A 109 -5.998 7.261 -22.286 1.00 0.00 C ATOM 1763 CE LYS A 109 -6.870 6.238 -23.038 1.00 0.00 C ATOM 1764 NZ LYS A 109 -6.087 5.065 -23.517 1.00 0.00 N ATOM 0 H LYS A 109 -7.277 6.260 -16.924 1.00 0.00 H new ATOM 0 HA LYS A 109 -6.194 4.726 -19.125 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -7.561 6.431 -20.336 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -6.763 7.710 -19.443 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -4.706 7.404 -20.566 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -5.086 5.759 -21.037 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -6.568 8.179 -22.144 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -5.135 7.514 -22.902 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -7.669 5.894 -22.381 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -7.345 6.726 -23.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -6.695 4.457 -24.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -5.279 5.395 -24.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -5.739 4.523 -22.700 1.00 0.00 H new ATOM 1778 N TYR A 110 -3.905 5.530 -18.437 1.00 0.00 N ATOM 1779 CA TYR A 110 -2.572 5.855 -17.921 1.00 0.00 C ATOM 1780 C TYR A 110 -2.204 7.321 -18.198 1.00 0.00 C ATOM 1781 O TYR A 110 -2.243 7.769 -19.349 1.00 0.00 O ATOM 1782 CB TYR A 110 -1.537 4.909 -18.550 1.00 0.00 C ATOM 1783 CG TYR A 110 -0.129 5.088 -18.012 1.00 0.00 C ATOM 1784 CD1 TYR A 110 0.089 5.125 -16.622 1.00 0.00 C ATOM 1785 CD2 TYR A 110 0.963 5.230 -18.892 1.00 0.00 C ATOM 1786 CE1 TYR A 110 1.378 5.329 -16.112 1.00 0.00 C ATOM 1787 CE2 TYR A 110 2.266 5.401 -18.383 1.00 0.00 C ATOM 1788 CZ TYR A 110 2.478 5.455 -16.989 1.00 0.00 C ATOM 1789 OH TYR A 110 3.734 5.645 -16.504 1.00 0.00 O ATOM 0 H TYR A 110 -3.892 4.843 -19.191 1.00 0.00 H new ATOM 0 HA TYR A 110 -2.576 5.721 -16.839 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -1.851 3.879 -18.381 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -1.525 5.065 -19.629 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -0.742 4.995 -15.945 1.00 0.00 H new ATOM 0 HD2 TYR A 110 0.801 5.208 -19.959 1.00 0.00 H new ATOM 0 HE1 TYR A 110 1.531 5.390 -15.045 1.00 0.00 H new ATOM 0 HE2 TYR A 110 3.103 5.491 -19.060 1.00 0.00 H new ATOM 0 HH TYR A 110 4.366 5.709 -17.250 1.00 0.00 H new ATOM 1799 N LEU A 111 -1.840 8.071 -17.152 1.00 0.00 N ATOM 1800 CA LEU A 111 -1.434 9.477 -17.268 1.00 0.00 C ATOM 1801 C LEU A 111 0.080 9.621 -17.435 1.00 0.00 C ATOM 1802 O LEU A 111 0.546 10.416 -18.254 1.00 0.00 O ATOM 1803 CB LEU A 111 -1.859 10.227 -15.996 1.00 0.00 C ATOM 1804 CG LEU A 111 -3.377 10.349 -15.829 1.00 0.00 C ATOM 1805 CD1 LEU A 111 -3.686 10.800 -14.407 1.00 0.00 C ATOM 1806 CD2 LEU A 111 -3.963 11.371 -16.805 1.00 0.00 C ATOM 0 H LEU A 111 -1.819 7.718 -16.195 1.00 0.00 H new ATOM 0 HA LEU A 111 -1.918 9.893 -18.152 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -1.447 9.713 -15.127 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -1.423 11.226 -16.011 1.00 0.00 H new ATOM 0 HG LEU A 111 -3.823 9.376 -16.034 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -4.765 10.889 -14.280 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -3.297 10.067 -13.700 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -3.218 11.767 -14.222 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -5.042 11.434 -16.661 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -3.515 12.348 -16.622 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -3.751 11.060 -17.828 1.00 0.00 H new ATOM 1818 N GLY A 112 0.839 8.871 -16.634 1.00 0.00 N ATOM 1819 CA GLY A 112 2.297 8.954 -16.572 1.00 0.00 C ATOM 1820 C GLY A 112 2.854 8.610 -15.189 1.00 0.00 C ATOM 1821 O GLY A 112 2.296 7.788 -14.461 1.00 0.00 O ATOM 0 H GLY A 112 0.448 8.176 -15.998 1.00 0.00 H new ATOM 0 HA2 GLY A 112 2.726 8.276 -17.310 1.00 0.00 H new ATOM 0 HA3 GLY A 112 2.611 9.962 -16.844 1.00 0.00 H new ATOM 1825 N LYS A 113 3.962 9.252 -14.813 1.00 0.00 N ATOM 1826 CA LYS A 113 4.776 8.902 -13.635 1.00 0.00 C ATOM 1827 C LYS A 113 5.039 10.116 -12.745 1.00 0.00 C ATOM 1828 O LYS A 113 6.057 10.804 -12.830 1.00 0.00 O ATOM 1829 CB LYS A 113 6.051 8.197 -14.103 1.00 0.00 C ATOM 1830 CG LYS A 113 6.652 7.325 -12.995 1.00 0.00 C ATOM 1831 CD LYS A 113 7.713 6.340 -13.508 1.00 0.00 C ATOM 1832 CE LYS A 113 8.858 6.963 -14.324 1.00 0.00 C ATOM 1833 NZ LYS A 113 9.804 7.749 -13.488 1.00 0.00 N ATOM 0 H LYS A 113 4.332 10.051 -15.329 1.00 0.00 H new ATOM 0 HA LYS A 113 4.225 8.208 -13.000 1.00 0.00 H new ATOM 0 HB2 LYS A 113 5.828 7.579 -14.973 1.00 0.00 H new ATOM 0 HB3 LYS A 113 6.783 8.940 -14.420 1.00 0.00 H new ATOM 0 HG2 LYS A 113 7.099 7.969 -12.238 1.00 0.00 H new ATOM 0 HG3 LYS A 113 5.853 6.767 -12.507 1.00 0.00 H new ATOM 0 HD2 LYS A 113 8.142 5.818 -12.653 1.00 0.00 H new ATOM 0 HD3 LYS A 113 7.218 5.589 -14.124 1.00 0.00 H new ATOM 0 HE2 LYS A 113 9.405 6.171 -14.836 1.00 0.00 H new ATOM 0 HE3 LYS A 113 8.438 7.610 -15.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 10.640 8.002 -14.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 9.336 8.616 -13.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 10.099 7.180 -12.669 1.00 0.00 H new ATOM 1847 N GLN A 114 4.032 10.409 -11.939 1.00 0.00 N ATOM 1848 CA GLN A 114 3.898 11.628 -11.141 1.00 0.00 C ATOM 1849 C GLN A 114 4.306 11.365 -9.689 1.00 0.00 C ATOM 1850 O GLN A 114 4.269 10.228 -9.210 1.00 0.00 O ATOM 1851 CB GLN A 114 2.457 12.149 -11.217 1.00 0.00 C ATOM 1852 CG GLN A 114 1.996 12.000 -12.664 1.00 0.00 C ATOM 1853 CD GLN A 114 0.727 12.699 -13.035 1.00 0.00 C ATOM 1854 OE1 GLN A 114 0.153 13.536 -12.348 1.00 0.00 O ATOM 1855 NE2 GLN A 114 0.282 12.368 -14.215 1.00 0.00 N ATOM 0 H GLN A 114 3.243 9.774 -11.814 1.00 0.00 H new ATOM 0 HA GLN A 114 4.564 12.390 -11.546 1.00 0.00 H new ATOM 0 HB2 GLN A 114 1.808 11.584 -10.547 1.00 0.00 H new ATOM 0 HB3 GLN A 114 2.408 13.192 -10.904 1.00 0.00 H new ATOM 0 HG2 GLN A 114 2.790 12.366 -13.315 1.00 0.00 H new ATOM 0 HG3 GLN A 114 1.875 10.938 -12.876 1.00 0.00 H new ATOM 0 HE21 GLN A 114 0.777 11.669 -14.769 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -0.561 12.808 -14.584 1.00 0.00 H new ATOM 1864 N ASN A 115 4.651 12.422 -8.959 1.00 0.00 N ATOM 1865 CA ASN A 115 4.850 12.363 -7.530 1.00 0.00 C ATOM 1866 C ASN A 115 3.547 11.977 -6.815 1.00 0.00 C ATOM 1867 O ASN A 115 2.554 12.707 -6.883 1.00 0.00 O ATOM 1868 CB ASN A 115 5.416 13.715 -7.055 1.00 0.00 C ATOM 1869 CG ASN A 115 6.458 13.512 -5.982 1.00 0.00 C ATOM 1870 OD1 ASN A 115 7.559 14.045 -6.034 1.00 0.00 O ATOM 1871 ND2 ASN A 115 6.183 12.675 -5.011 1.00 0.00 N ATOM 0 H ASN A 115 4.800 13.350 -9.356 1.00 0.00 H new ATOM 0 HA ASN A 115 5.571 11.586 -7.279 1.00 0.00 H new ATOM 0 HB2 ASN A 115 5.855 14.247 -7.899 1.00 0.00 H new ATOM 0 HB3 ASN A 115 4.608 14.338 -6.671 1.00 0.00 H new ATOM 0 HD21 ASN A 115 6.886 12.469 -4.301 1.00 0.00 H new ATOM 0 HD22 ASN A 115 5.266 12.230 -4.966 1.00 0.00 H new ATOM 1878 N VAL A 116 3.569 10.838 -6.113 1.00 0.00 N ATOM 1879 CA VAL A 116 2.432 10.360 -5.316 1.00 0.00 C ATOM 1880 C VAL A 116 2.835 10.126 -3.857 1.00 0.00 C ATOM 1881 O VAL A 116 4.002 9.866 -3.548 1.00 0.00 O ATOM 1882 CB VAL A 116 1.759 9.131 -5.961 1.00 0.00 C ATOM 1883 CG1 VAL A 116 1.058 9.490 -7.270 1.00 0.00 C ATOM 1884 CG2 VAL A 116 2.728 7.983 -6.269 1.00 0.00 C ATOM 0 H VAL A 116 4.379 10.219 -6.081 1.00 0.00 H new ATOM 0 HA VAL A 116 1.676 11.145 -5.306 1.00 0.00 H new ATOM 0 HB VAL A 116 1.043 8.798 -5.209 1.00 0.00 H new ATOM 0 HG11 VAL A 116 0.597 8.597 -7.692 1.00 0.00 H new ATOM 0 HG12 VAL A 116 0.290 10.239 -7.078 1.00 0.00 H new ATOM 0 HG13 VAL A 116 1.787 9.890 -7.975 1.00 0.00 H new ATOM 0 HG21 VAL A 116 2.180 7.156 -6.721 1.00 0.00 H new ATOM 0 HG22 VAL A 116 3.496 8.330 -6.961 1.00 0.00 H new ATOM 0 HG23 VAL A 116 3.198 7.646 -5.345 1.00 0.00 H new ATOM 1894 N TYR A 117 1.858 10.247 -2.961 1.00 0.00 N ATOM 1895 CA TYR A 117 2.035 10.307 -1.508 1.00 0.00 C ATOM 1896 C TYR A 117 0.940 9.521 -0.768 1.00 0.00 C ATOM 1897 O TYR A 117 -0.152 9.300 -1.303 1.00 0.00 O ATOM 1898 CB TYR A 117 1.970 11.779 -1.070 1.00 0.00 C ATOM 1899 CG TYR A 117 2.695 12.782 -1.953 1.00 0.00 C ATOM 1900 CD1 TYR A 117 2.016 13.351 -3.050 1.00 0.00 C ATOM 1901 CD2 TYR A 117 4.023 13.159 -1.676 1.00 0.00 C ATOM 1902 CE1 TYR A 117 2.655 14.309 -3.855 1.00 0.00 C ATOM 1903 CE2 TYR A 117 4.658 14.137 -2.469 1.00 0.00 C ATOM 1904 CZ TYR A 117 3.968 14.728 -3.552 1.00 0.00 C ATOM 1905 OH TYR A 117 4.540 15.702 -4.306 1.00 0.00 O ATOM 0 H TYR A 117 0.878 10.309 -3.238 1.00 0.00 H new ATOM 0 HA TYR A 117 2.998 9.861 -1.260 1.00 0.00 H new ATOM 0 HB2 TYR A 117 0.922 12.071 -1.011 1.00 0.00 H new ATOM 0 HB3 TYR A 117 2.379 11.854 -0.062 1.00 0.00 H new ATOM 0 HD1 TYR A 117 1.003 13.050 -3.272 1.00 0.00 H new ATOM 0 HD2 TYR A 117 4.555 12.699 -0.856 1.00 0.00 H new ATOM 0 HE1 TYR A 117 2.140 14.726 -4.708 1.00 0.00 H new ATOM 0 HE2 TYR A 117 5.672 14.435 -2.249 1.00 0.00 H new ATOM 0 HH TYR A 117 5.393 15.968 -3.904 1.00 0.00 H new ATOM 1915 N ASP A 118 1.208 9.135 0.479 1.00 0.00 N ATOM 1916 CA ASP A 118 0.270 8.416 1.342 1.00 0.00 C ATOM 1917 C ASP A 118 0.602 8.639 2.827 1.00 0.00 C ATOM 1918 O ASP A 118 1.750 8.523 3.260 1.00 0.00 O ATOM 1919 CB ASP A 118 0.235 6.919 0.988 1.00 0.00 C ATOM 1920 CG ASP A 118 1.579 6.178 1.151 1.00 0.00 C ATOM 1921 OD1 ASP A 118 2.474 6.321 0.281 1.00 0.00 O ATOM 1922 OD2 ASP A 118 1.709 5.371 2.104 1.00 0.00 O ATOM 0 H ASP A 118 2.105 9.318 0.929 1.00 0.00 H new ATOM 0 HA ASP A 118 -0.728 8.819 1.168 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -0.510 6.430 1.615 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -0.098 6.813 -0.044 1.00 0.00 H new ATOM 1927 N ILE A 119 -0.409 8.984 3.626 1.00 0.00 N ATOM 1928 CA ILE A 119 -0.276 9.107 5.085 1.00 0.00 C ATOM 1929 C ILE A 119 -0.514 7.753 5.779 1.00 0.00 C ATOM 1930 O ILE A 119 -1.208 6.877 5.254 1.00 0.00 O ATOM 1931 CB ILE A 119 -1.192 10.220 5.641 1.00 0.00 C ATOM 1932 CG1 ILE A 119 -2.684 9.982 5.311 1.00 0.00 C ATOM 1933 CG2 ILE A 119 -0.690 11.583 5.122 1.00 0.00 C ATOM 1934 CD1 ILE A 119 -3.642 10.934 6.034 1.00 0.00 C ATOM 0 H ILE A 119 -1.347 9.187 3.282 1.00 0.00 H new ATOM 0 HA ILE A 119 0.749 9.404 5.307 1.00 0.00 H new ATOM 0 HB ILE A 119 -1.136 10.209 6.730 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -2.829 10.085 4.236 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -2.944 8.956 5.570 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -1.329 12.377 5.508 1.00 0.00 H new ATOM 0 HG22 ILE A 119 0.334 11.746 5.458 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -0.720 11.591 4.032 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -4.668 10.703 5.750 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -3.528 10.815 7.112 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -3.412 11.962 5.756 1.00 0.00 H new ATOM 1946 N GLY A 120 0.051 7.595 6.977 1.00 0.00 N ATOM 1947 CA GLY A 120 -0.086 6.412 7.832 1.00 0.00 C ATOM 1948 C GLY A 120 -0.914 6.711 9.083 1.00 0.00 C ATOM 1949 O GLY A 120 -0.997 7.859 9.527 1.00 0.00 O ATOM 0 H GLY A 120 0.640 8.315 7.396 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -0.557 5.608 7.267 1.00 0.00 H new ATOM 0 HA3 GLY A 120 0.902 6.059 8.126 1.00 0.00 H new ATOM 1953 N VAL A 121 -1.534 5.676 9.658 1.00 0.00 N ATOM 1954 CA VAL A 121 -2.552 5.793 10.725 1.00 0.00 C ATOM 1955 C VAL A 121 -2.450 4.611 11.714 1.00 0.00 C ATOM 1956 O VAL A 121 -1.921 3.551 11.375 1.00 0.00 O ATOM 1957 CB VAL A 121 -3.969 5.855 10.106 1.00 0.00 C ATOM 1958 CG1 VAL A 121 -5.000 6.401 11.102 1.00 0.00 C ATOM 1959 CG2 VAL A 121 -4.089 6.733 8.845 1.00 0.00 C ATOM 0 H VAL A 121 -1.343 4.709 9.394 1.00 0.00 H new ATOM 0 HA VAL A 121 -2.367 6.715 11.276 1.00 0.00 H new ATOM 0 HB VAL A 121 -4.163 4.817 9.835 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -5.982 6.429 10.630 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -5.037 5.754 11.979 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -4.714 7.408 11.406 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -5.118 6.714 8.485 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -3.809 7.758 9.087 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -3.426 6.349 8.070 1.00 0.00 H new ATOM 1969 N GLU A 122 -2.940 4.787 12.946 1.00 0.00 N ATOM 1970 CA GLU A 122 -2.764 3.850 14.076 1.00 0.00 C ATOM 1971 C GLU A 122 -3.348 2.432 13.866 1.00 0.00 C ATOM 1972 O GLU A 122 -2.705 1.450 14.255 1.00 0.00 O ATOM 1973 CB GLU A 122 -3.359 4.512 15.333 1.00 0.00 C ATOM 1974 CG GLU A 122 -3.177 3.681 16.610 1.00 0.00 C ATOM 1975 CD GLU A 122 -3.591 4.472 17.865 1.00 0.00 C ATOM 1976 OE1 GLU A 122 -4.798 4.783 18.029 1.00 0.00 O ATOM 1977 OE2 GLU A 122 -2.716 4.778 18.712 1.00 0.00 O ATOM 0 H GLU A 122 -3.488 5.609 13.199 1.00 0.00 H new ATOM 0 HA GLU A 122 -1.694 3.671 14.178 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -2.893 5.487 15.475 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -4.423 4.687 15.172 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -3.772 2.771 16.540 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -2.135 3.374 16.700 1.00 0.00 H new ATOM 1984 N ARG A 123 -4.535 2.306 13.250 1.00 0.00 N ATOM 1985 CA ARG A 123 -5.209 1.013 12.966 1.00 0.00 C ATOM 1986 C ARG A 123 -5.974 1.011 11.643 1.00 0.00 C ATOM 1987 O ARG A 123 -5.765 0.133 10.807 1.00 0.00 O ATOM 1988 CB ARG A 123 -6.193 0.644 14.096 1.00 0.00 C ATOM 1989 CG ARG A 123 -5.544 -0.039 15.308 1.00 0.00 C ATOM 1990 CD ARG A 123 -6.645 -0.582 16.230 1.00 0.00 C ATOM 1991 NE ARG A 123 -6.098 -1.372 17.351 1.00 0.00 N ATOM 1992 CZ ARG A 123 -6.791 -2.145 18.172 1.00 0.00 C ATOM 1993 NH1 ARG A 123 -8.087 -2.270 18.083 1.00 0.00 N ATOM 1994 NH2 ARG A 123 -6.188 -2.816 19.111 1.00 0.00 N ATOM 0 H ARG A 123 -5.070 3.112 12.926 1.00 0.00 H new ATOM 0 HA ARG A 123 -4.409 0.276 12.898 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -6.697 1.550 14.432 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -6.961 -0.016 13.691 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -4.895 -0.851 14.979 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -4.918 0.671 15.848 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -7.228 0.250 16.625 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -7.328 -1.203 15.650 1.00 0.00 H new ATOM 0 HE ARG A 123 -5.092 -1.317 17.507 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -8.600 -1.762 17.362 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -8.587 -2.875 18.734 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -5.176 -2.748 19.217 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -6.728 -3.410 19.740 1.00 0.00 H new ATOM 2008 N ASP A 124 -6.860 1.987 11.448 1.00 0.00 N ATOM 2009 CA ASP A 124 -7.616 2.174 10.207 1.00 0.00 C ATOM 2010 C ASP A 124 -6.761 2.955 9.198 1.00 0.00 C ATOM 2011 O ASP A 124 -6.757 4.186 9.188 1.00 0.00 O ATOM 2012 CB ASP A 124 -8.969 2.839 10.505 1.00 0.00 C ATOM 2013 CG ASP A 124 -9.988 1.792 10.991 1.00 0.00 C ATOM 2014 OD1 ASP A 124 -9.971 1.425 12.192 1.00 0.00 O ATOM 2015 OD2 ASP A 124 -10.788 1.293 10.162 1.00 0.00 O ATOM 0 H ASP A 124 -7.078 2.684 12.161 1.00 0.00 H new ATOM 0 HA ASP A 124 -7.844 1.210 9.752 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -8.842 3.611 11.264 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -9.344 3.332 9.608 1.00 0.00 H new ATOM 2020 N HIS A 125 -5.992 2.221 8.383 1.00 0.00 N ATOM 2021 CA HIS A 125 -5.079 2.699 7.328 1.00 0.00 C ATOM 2022 C HIS A 125 -5.804 3.379 6.134 1.00 0.00 C ATOM 2023 O HIS A 125 -5.416 3.224 4.973 1.00 0.00 O ATOM 2024 CB HIS A 125 -4.226 1.502 6.855 1.00 0.00 C ATOM 2025 CG HIS A 125 -3.534 0.727 7.955 1.00 0.00 C ATOM 2026 ND1 HIS A 125 -3.763 -0.591 8.290 1.00 0.00 N ATOM 2027 CD2 HIS A 125 -2.543 1.183 8.783 1.00 0.00 C ATOM 2028 CE1 HIS A 125 -2.936 -0.920 9.298 1.00 0.00 C ATOM 2029 NE2 HIS A 125 -2.163 0.131 9.633 1.00 0.00 N ATOM 0 H HIS A 125 -5.989 1.203 8.446 1.00 0.00 H new ATOM 0 HA HIS A 125 -4.449 3.481 7.753 1.00 0.00 H new ATOM 0 HB2 HIS A 125 -4.867 0.818 6.299 1.00 0.00 H new ATOM 0 HB3 HIS A 125 -3.470 1.868 6.160 1.00 0.00 H new ATOM 0 HD2 HIS A 125 -2.126 2.179 8.783 1.00 0.00 H new ATOM 0 HE1 HIS A 125 -2.897 -1.890 9.772 1.00 0.00 H new ATOM 0 HE2 HIS A 125 -1.446 0.158 10.358 1.00 0.00 H new ATOM 2037 N ASN A 126 -6.899 4.092 6.395 1.00 0.00 N ATOM 2038 CA ASN A 126 -7.852 4.621 5.422 1.00 0.00 C ATOM 2039 C ASN A 126 -8.457 5.963 5.883 1.00 0.00 C ATOM 2040 O ASN A 126 -8.417 6.305 7.070 1.00 0.00 O ATOM 2041 CB ASN A 126 -8.924 3.536 5.179 1.00 0.00 C ATOM 2042 CG ASN A 126 -9.643 3.105 6.445 1.00 0.00 C ATOM 2043 OD1 ASN A 126 -10.730 3.757 6.783 1.00 0.00 O flip ATOM 2044 ND2 ASN A 126 -9.234 2.180 7.133 1.00 0.00 N flip ATOM 0 H ASN A 126 -7.160 4.330 7.352 1.00 0.00 H new ATOM 0 HA ASN A 126 -7.347 4.847 4.483 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -9.656 3.912 4.464 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -8.452 2.665 4.723 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -8.388 1.679 6.863 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -9.739 1.910 7.977 1.00 0.00 H new ATOM 2051 N PHE A 127 -9.009 6.729 4.939 1.00 0.00 N ATOM 2052 CA PHE A 127 -9.433 8.123 5.141 1.00 0.00 C ATOM 2053 C PHE A 127 -10.389 8.611 4.035 1.00 0.00 C ATOM 2054 O PHE A 127 -10.359 8.108 2.909 1.00 0.00 O ATOM 2055 CB PHE A 127 -8.184 9.029 5.224 1.00 0.00 C ATOM 2056 CG PHE A 127 -7.096 8.733 4.201 1.00 0.00 C ATOM 2057 CD1 PHE A 127 -7.283 9.076 2.849 1.00 0.00 C ATOM 2058 CD2 PHE A 127 -5.911 8.074 4.591 1.00 0.00 C ATOM 2059 CE1 PHE A 127 -6.304 8.753 1.895 1.00 0.00 C ATOM 2060 CE2 PHE A 127 -4.931 7.751 3.636 1.00 0.00 C ATOM 2061 CZ PHE A 127 -5.128 8.087 2.284 1.00 0.00 C ATOM 0 H PHE A 127 -9.179 6.393 3.991 1.00 0.00 H new ATOM 0 HA PHE A 127 -9.989 8.175 6.077 1.00 0.00 H new ATOM 0 HB2 PHE A 127 -8.499 10.066 5.105 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -7.756 8.938 6.222 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -8.183 9.590 2.544 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -5.756 7.816 5.628 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -6.455 9.017 0.859 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -4.027 7.245 3.940 1.00 0.00 H new ATOM 0 HZ PHE A 127 -4.379 7.834 1.548 1.00 0.00 H new ATOM 2071 N ALA A 128 -11.237 9.600 4.342 1.00 0.00 N ATOM 2072 CA ALA A 128 -12.140 10.223 3.368 1.00 0.00 C ATOM 2073 C ALA A 128 -11.429 11.219 2.421 1.00 0.00 C ATOM 2074 O ALA A 128 -10.377 11.777 2.739 1.00 0.00 O ATOM 2075 CB ALA A 128 -13.297 10.906 4.112 1.00 0.00 C ATOM 0 H ALA A 128 -11.316 9.993 5.280 1.00 0.00 H new ATOM 0 HA ALA A 128 -12.524 9.430 2.727 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -13.970 11.370 3.391 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -13.844 10.164 4.693 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -12.899 11.670 4.781 1.00 0.00 H new ATOM 2081 N LEU A 129 -12.059 11.491 1.275 1.00 0.00 N ATOM 2082 CA LEU A 129 -11.588 12.368 0.194 1.00 0.00 C ATOM 2083 C LEU A 129 -12.513 13.578 -0.017 1.00 0.00 C ATOM 2084 O LEU A 129 -13.697 13.531 0.329 1.00 0.00 O ATOM 2085 CB LEU A 129 -11.583 11.559 -1.115 1.00 0.00 C ATOM 2086 CG LEU A 129 -10.507 10.465 -1.213 1.00 0.00 C ATOM 2087 CD1 LEU A 129 -10.868 9.464 -2.308 1.00 0.00 C ATOM 2088 CD2 LEU A 129 -9.186 11.093 -1.630 1.00 0.00 C ATOM 0 H LEU A 129 -12.968 11.080 1.062 1.00 0.00 H new ATOM 0 HA LEU A 129 -10.597 12.730 0.466 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -12.561 11.094 -1.238 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -11.451 12.250 -1.948 1.00 0.00 H new ATOM 0 HG LEU A 129 -10.436 9.974 -0.242 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -10.098 8.695 -2.366 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -11.827 9.000 -2.075 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -10.938 9.981 -3.265 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -8.421 10.319 -1.700 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -9.303 11.576 -2.600 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -8.885 11.834 -0.889 1.00 0.00 H new ATOM 2100 N LYS A 130 -12.010 14.618 -0.700 1.00 0.00 N ATOM 2101 CA LYS A 130 -12.794 15.808 -1.101 1.00 0.00 C ATOM 2102 C LYS A 130 -14.055 15.509 -1.915 1.00 0.00 C ATOM 2103 O LYS A 130 -15.070 16.187 -1.762 1.00 0.00 O ATOM 2104 CB LYS A 130 -11.882 16.801 -1.846 1.00 0.00 C ATOM 2105 CG LYS A 130 -11.608 16.440 -3.319 1.00 0.00 C ATOM 2106 CD LYS A 130 -10.586 17.371 -3.984 1.00 0.00 C ATOM 2107 CE LYS A 130 -10.754 17.439 -5.509 1.00 0.00 C ATOM 2108 NZ LYS A 130 -11.897 18.312 -5.905 1.00 0.00 N ATOM 0 H LYS A 130 -11.035 14.662 -0.996 1.00 0.00 H new ATOM 0 HA LYS A 130 -13.164 16.249 -0.175 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -12.336 17.791 -1.807 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -10.930 16.866 -1.319 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -11.246 15.413 -3.374 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -12.544 16.479 -3.877 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -10.687 18.373 -3.566 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -9.579 17.027 -3.748 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -9.836 17.817 -5.959 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -10.911 16.435 -5.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -11.976 18.331 -6.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -12.777 17.938 -5.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -11.735 19.277 -5.552 1.00 0.00 H new ATOM 2122 N ASN A 131 -13.982 14.492 -2.780 1.00 0.00 N ATOM 2123 CA ASN A 131 -15.084 14.073 -3.651 1.00 0.00 C ATOM 2124 C ASN A 131 -16.195 13.334 -2.878 1.00 0.00 C ATOM 2125 O ASN A 131 -17.313 13.223 -3.377 1.00 0.00 O ATOM 2126 CB ASN A 131 -14.508 13.210 -4.788 1.00 0.00 C ATOM 2127 CG ASN A 131 -13.547 13.998 -5.662 1.00 0.00 C ATOM 2128 OD1 ASN A 131 -12.337 13.937 -5.504 1.00 0.00 O ATOM 2129 ND2 ASN A 131 -14.053 14.798 -6.573 1.00 0.00 N ATOM 0 H ASN A 131 -13.141 13.927 -2.896 1.00 0.00 H new ATOM 0 HA ASN A 131 -15.561 14.959 -4.070 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -13.992 12.349 -4.365 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -15.323 12.824 -5.400 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -13.435 15.369 -7.150 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -15.063 14.848 -6.704 1.00 0.00 H new ATOM 2136 N GLY A 132 -15.892 12.862 -1.662 1.00 0.00 N ATOM 2137 CA GLY A 132 -16.852 12.290 -0.721 1.00 0.00 C ATOM 2138 C GLY A 132 -16.810 10.765 -0.613 1.00 0.00 C ATOM 2139 O GLY A 132 -17.861 10.165 -0.414 1.00 0.00 O ATOM 0 H GLY A 132 -14.939 12.870 -1.298 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -16.671 12.716 0.266 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -17.856 12.592 -1.019 1.00 0.00 H new ATOM 2143 N PHE A 133 -15.633 10.141 -0.736 1.00 0.00 N ATOM 2144 CA PHE A 133 -15.427 8.678 -0.725 1.00 0.00 C ATOM 2145 C PHE A 133 -14.227 8.297 0.155 1.00 0.00 C ATOM 2146 O PHE A 133 -13.424 9.165 0.494 1.00 0.00 O ATOM 2147 CB PHE A 133 -15.206 8.178 -2.165 1.00 0.00 C ATOM 2148 CG PHE A 133 -16.314 8.556 -3.128 1.00 0.00 C ATOM 2149 CD1 PHE A 133 -17.453 7.739 -3.254 1.00 0.00 C ATOM 2150 CD2 PHE A 133 -16.224 9.755 -3.863 1.00 0.00 C ATOM 2151 CE1 PHE A 133 -18.511 8.129 -4.095 1.00 0.00 C ATOM 2152 CE2 PHE A 133 -17.290 10.152 -4.691 1.00 0.00 C ATOM 2153 CZ PHE A 133 -18.437 9.345 -4.797 1.00 0.00 C ATOM 0 H PHE A 133 -14.760 10.656 -0.851 1.00 0.00 H new ATOM 0 HA PHE A 133 -16.316 8.205 -0.307 1.00 0.00 H new ATOM 0 HB2 PHE A 133 -14.263 8.579 -2.537 1.00 0.00 H new ATOM 0 HB3 PHE A 133 -15.107 7.093 -2.150 1.00 0.00 H new ATOM 0 HD1 PHE A 133 -17.515 6.811 -2.704 1.00 0.00 H new ATOM 0 HD2 PHE A 133 -15.338 10.368 -3.791 1.00 0.00 H new ATOM 0 HE1 PHE A 133 -19.379 7.495 -4.201 1.00 0.00 H new ATOM 0 HE2 PHE A 133 -17.227 11.077 -5.245 1.00 0.00 H new ATOM 0 HZ PHE A 133 -19.262 9.660 -5.419 1.00 0.00 H new ATOM 2163 N ILE A 134 -14.074 7.017 0.519 1.00 0.00 N ATOM 2164 CA ILE A 134 -12.995 6.545 1.409 1.00 0.00 C ATOM 2165 C ILE A 134 -11.954 5.753 0.600 1.00 0.00 C ATOM 2166 O ILE A 134 -12.282 4.803 -0.118 1.00 0.00 O ATOM 2167 CB ILE A 134 -13.546 5.730 2.611 1.00 0.00 C ATOM 2168 CG1 ILE A 134 -14.471 6.531 3.564 1.00 0.00 C ATOM 2169 CG2 ILE A 134 -12.386 5.166 3.466 1.00 0.00 C ATOM 2170 CD1 ILE A 134 -15.901 6.781 3.056 1.00 0.00 C ATOM 0 H ILE A 134 -14.697 6.273 0.205 1.00 0.00 H new ATOM 0 HA ILE A 134 -12.500 7.416 1.839 1.00 0.00 H new ATOM 0 HB ILE A 134 -14.139 4.939 2.152 1.00 0.00 H new ATOM 0 HG12 ILE A 134 -14.531 5.999 4.514 1.00 0.00 H new ATOM 0 HG13 ILE A 134 -14.004 7.495 3.767 1.00 0.00 H new ATOM 0 HG21 ILE A 134 -12.793 4.598 4.303 1.00 0.00 H new ATOM 0 HG22 ILE A 134 -11.766 4.513 2.852 1.00 0.00 H new ATOM 0 HG23 ILE A 134 -11.781 5.989 3.846 1.00 0.00 H new ATOM 0 HD11 ILE A 134 -16.458 7.349 3.801 1.00 0.00 H new ATOM 0 HD12 ILE A 134 -15.863 7.345 2.124 1.00 0.00 H new ATOM 0 HD13 ILE A 134 -16.397 5.826 2.882 1.00 0.00 H new ATOM 2182 N ALA A 135 -10.679 6.116 0.766 1.00 0.00 N ATOM 2183 CA ALA A 135 -9.520 5.445 0.179 1.00 0.00 C ATOM 2184 C ALA A 135 -8.703 4.741 1.276 1.00 0.00 C ATOM 2185 O ALA A 135 -8.757 5.137 2.443 1.00 0.00 O ATOM 2186 CB ALA A 135 -8.692 6.486 -0.578 1.00 0.00 C ATOM 0 H ALA A 135 -10.417 6.919 1.337 1.00 0.00 H new ATOM 0 HA ALA A 135 -9.836 4.673 -0.523 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -7.822 6.004 -1.024 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -9.301 6.934 -1.363 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -8.363 7.262 0.113 1.00 0.00 H new ATOM 2192 N SER A 136 -7.946 3.703 0.916 1.00 0.00 N ATOM 2193 CA SER A 136 -7.300 2.790 1.872 1.00 0.00 C ATOM 2194 C SER A 136 -5.908 2.335 1.406 1.00 0.00 C ATOM 2195 O SER A 136 -5.769 1.758 0.329 1.00 0.00 O ATOM 2196 CB SER A 136 -8.234 1.585 2.091 1.00 0.00 C ATOM 2197 OG SER A 136 -8.563 0.939 0.878 1.00 0.00 O ATOM 0 H SER A 136 -7.760 3.466 -0.059 1.00 0.00 H new ATOM 0 HA SER A 136 -7.138 3.320 2.811 1.00 0.00 H new ATOM 0 HB2 SER A 136 -7.754 0.872 2.762 1.00 0.00 H new ATOM 0 HB3 SER A 136 -9.148 1.920 2.582 1.00 0.00 H new ATOM 0 HG SER A 136 -9.376 0.405 1.002 1.00 0.00 H new ATOM 2203 N ASN A 137 -4.876 2.589 2.211 1.00 0.00 N ATOM 2204 CA ASN A 137 -3.473 2.295 1.890 1.00 0.00 C ATOM 2205 C ASN A 137 -3.108 0.798 2.016 1.00 0.00 C ATOM 2206 O ASN A 137 -2.450 0.265 1.092 1.00 0.00 O ATOM 2207 CB ASN A 137 -2.581 3.185 2.776 1.00 0.00 C ATOM 2208 CG ASN A 137 -1.114 3.092 2.393 1.00 0.00 C ATOM 2209 OD1 ASN A 137 -0.284 2.559 3.121 1.00 0.00 O ATOM 2210 ND2 ASN A 137 -0.759 3.606 1.238 1.00 0.00 N ATOM 0 H ASN A 137 -4.993 3.016 3.130 1.00 0.00 H new ATOM 0 HA ASN A 137 -3.305 2.524 0.838 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -2.911 4.221 2.695 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -2.701 2.893 3.819 1.00 0.00 H new ATOM 0 HD21 ASN A 137 0.215 3.564 0.939 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -1.458 4.047 0.640 1.00 0.00 H new TER 2217 ASN A 137