USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 867 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 76 CYS SG : rot 139:sc= 0.616 USER MOD Set 1.2: A 79 CYS SG : rot 114:sc= 0.73 USER MOD Set 1.3: A 93 CYS SG : rot 128:sc= 1.83 USER MOD Set 1.4: A 96 CYS SG : rot -39:sc= 1.33 USER MOD Set 1.5: A 100 ASN : amide:sc= 0.104 K(o=4.6,f=2.8) USER MOD Set 2.1: A 16 CYS SG : rot 180:sc= -0.374 USER MOD Set 2.2: A 60 CYS SG : rot 160:sc= -0.48 USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 80:sc= 1.32 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0.843 K(o=0.84,f=-0.5) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 3:sc= 0 USER MOD Single : A 41 MET CE :methyl 163:sc= 0 (180deg=-0.105) USER MOD Single : A 43 LYS NZ :NH3+ 174:sc= 1.3 (180deg=1.2) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 82:sc= 0.086 USER MOD Single : A 57 SER OG : rot -45:sc= 0.97 USER MOD Single : A 61 LYS NZ :NH3+ 144:sc= 1.27 (180deg=0.657) USER MOD Single : A 71 LYS NZ :NH3+ 161:sc= 1.29 (180deg=0.867) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 HIS : no HD1:sc= -0.0154 X(o=-0.015,f=-0.22) USER MOD Single : A 84 LYS NZ :NH3+ 176:sc= 1.23 (180deg=1.17) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 HIS :FLIP no HD1:sc= 0.271 F(o=-1.8!,f=0.27) USER MOD Single : A 98 SER OG : rot 18:sc= 0.00502 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot -21:sc= 0.0333 USER MOD Single : A 105 GLN : amide:sc= 0.939 K(o=0.94,f=-0.0039) USER MOD Single : A 107 ASN : amide:sc= -0.107 K(o=-0.11,f=-5!) USER MOD Single : A 109 MET CE :methyl -178:sc= -0.543 (180deg=-0.548) USER MOD Single : A 113 SER OG : rot 180:sc=-0.00507 USER MOD Single : A 116 MET CE :methyl 172:sc=-0.00748 (180deg=-0.0964) USER MOD ----------------------------------------------------------------- ATOM 38 N HIS A 4 -16.072 9.751 -2.763 1.00 0.00 N ATOM 39 CA HIS A 4 -15.880 8.429 -2.141 1.00 0.00 C ATOM 40 C HIS A 4 -14.707 7.610 -2.737 1.00 0.00 C ATOM 41 O HIS A 4 -14.230 6.654 -2.123 1.00 0.00 O ATOM 42 CB HIS A 4 -17.209 7.662 -2.243 1.00 0.00 C ATOM 43 CG HIS A 4 -17.263 6.397 -1.420 1.00 0.00 C ATOM 44 ND1 HIS A 4 -17.489 6.324 -0.061 1.00 0.00 N ATOM 45 CD2 HIS A 4 -17.118 5.118 -1.885 1.00 0.00 C ATOM 46 CE1 HIS A 4 -17.478 5.026 0.290 1.00 0.00 C ATOM 47 NE2 HIS A 4 -17.256 4.253 -0.790 1.00 0.00 N ATOM 0 HA HIS A 4 -15.597 8.584 -1.100 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -18.019 8.320 -1.929 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -17.390 7.409 -3.288 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -16.931 4.828 -2.908 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -17.626 4.657 1.294 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -17.199 3.235 -0.808 1.00 0.00 H new ATOM 55 N GLU A 5 -14.213 7.995 -3.916 1.00 0.00 N ATOM 56 CA GLU A 5 -13.044 7.450 -4.619 1.00 0.00 C ATOM 57 C GLU A 5 -11.850 8.424 -4.611 1.00 0.00 C ATOM 58 O GLU A 5 -10.704 8.007 -4.425 1.00 0.00 O ATOM 59 CB GLU A 5 -13.435 7.028 -6.053 1.00 0.00 C ATOM 60 CG GLU A 5 -13.742 8.150 -7.068 1.00 0.00 C ATOM 61 CD GLU A 5 -14.983 8.987 -6.701 1.00 0.00 C ATOM 62 OE1 GLU A 5 -14.867 9.875 -5.822 1.00 0.00 O ATOM 63 OE2 GLU A 5 -16.076 8.739 -7.266 1.00 0.00 O ATOM 0 H GLU A 5 -14.649 8.750 -4.445 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.711 6.563 -4.079 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -12.625 6.421 -6.458 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -14.313 6.385 -5.987 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -12.877 8.810 -7.141 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -13.890 7.708 -8.053 1.00 0.00 H new ATOM 70 N TYR A 6 -12.107 9.730 -4.754 1.00 0.00 N ATOM 71 CA TYR A 6 -11.101 10.797 -4.665 1.00 0.00 C ATOM 72 C TYR A 6 -10.601 11.073 -3.234 1.00 0.00 C ATOM 73 O TYR A 6 -9.689 11.879 -3.050 1.00 0.00 O ATOM 74 CB TYR A 6 -11.657 12.082 -5.293 1.00 0.00 C ATOM 75 CG TYR A 6 -12.015 11.985 -6.766 1.00 0.00 C ATOM 76 CD1 TYR A 6 -11.090 11.461 -7.693 1.00 0.00 C ATOM 77 CD2 TYR A 6 -13.263 12.459 -7.217 1.00 0.00 C ATOM 78 CE1 TYR A 6 -11.413 11.407 -9.063 1.00 0.00 C ATOM 79 CE2 TYR A 6 -13.590 12.412 -8.586 1.00 0.00 C ATOM 80 CZ TYR A 6 -12.665 11.881 -9.513 1.00 0.00 C ATOM 81 OH TYR A 6 -12.967 11.834 -10.841 1.00 0.00 O ATOM 0 H TYR A 6 -13.045 10.084 -4.940 1.00 0.00 H new ATOM 0 HA TYR A 6 -10.230 10.447 -5.218 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -12.547 12.381 -4.739 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -10.921 12.876 -5.167 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -10.131 11.100 -7.351 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -13.973 12.861 -6.509 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -10.703 11.003 -9.770 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -14.546 12.781 -8.927 1.00 0.00 H new ATOM 0 HH TYR A 6 -13.866 12.197 -10.985 1.00 0.00 H new ATOM 91 N SER A 7 -11.156 10.395 -2.225 1.00 0.00 N ATOM 92 CA SER A 7 -10.761 10.458 -0.814 1.00 0.00 C ATOM 93 C SER A 7 -9.264 10.210 -0.615 1.00 0.00 C ATOM 94 O SER A 7 -8.579 11.070 -0.058 1.00 0.00 O ATOM 95 CB SER A 7 -11.600 9.469 0.008 1.00 0.00 C ATOM 96 OG SER A 7 -11.507 8.159 -0.533 1.00 0.00 O ATOM 0 H SER A 7 -11.934 9.753 -2.378 1.00 0.00 H new ATOM 0 HA SER A 7 -10.955 11.471 -0.460 1.00 0.00 H new ATOM 0 HB2 SER A 7 -11.257 9.466 1.042 1.00 0.00 H new ATOM 0 HB3 SER A 7 -12.642 9.790 0.019 1.00 0.00 H new ATOM 0 HG SER A 7 -12.047 7.544 0.006 1.00 0.00 H new ATOM 102 N VAL A 8 -8.729 9.092 -1.127 1.00 0.00 N ATOM 103 CA VAL A 8 -7.278 8.822 -1.160 1.00 0.00 C ATOM 104 C VAL A 8 -6.547 9.939 -1.890 1.00 0.00 C ATOM 105 O VAL A 8 -5.567 10.472 -1.384 1.00 0.00 O ATOM 106 CB VAL A 8 -6.908 7.502 -1.866 1.00 0.00 C ATOM 107 CG1 VAL A 8 -5.425 7.168 -1.665 1.00 0.00 C ATOM 108 CG2 VAL A 8 -7.702 6.306 -1.363 1.00 0.00 C ATOM 0 H VAL A 8 -9.291 8.344 -1.533 1.00 0.00 H new ATOM 0 HA VAL A 8 -6.978 8.752 -0.114 1.00 0.00 H new ATOM 0 HB VAL A 8 -7.143 7.671 -2.917 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -5.191 6.232 -2.173 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.812 7.969 -2.079 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.216 7.065 -0.600 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.392 5.411 -1.902 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -7.519 6.170 -0.297 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.765 6.479 -1.529 1.00 0.00 H new ATOM 118 N VAL A 9 -7.015 10.273 -3.095 1.00 0.00 N ATOM 119 CA VAL A 9 -6.316 11.136 -4.043 1.00 0.00 C ATOM 120 C VAL A 9 -6.059 12.530 -3.456 1.00 0.00 C ATOM 121 O VAL A 9 -4.908 12.932 -3.304 1.00 0.00 O ATOM 122 CB VAL A 9 -7.116 11.242 -5.350 1.00 0.00 C ATOM 123 CG1 VAL A 9 -6.368 12.072 -6.391 1.00 0.00 C ATOM 124 CG2 VAL A 9 -7.408 9.859 -5.956 1.00 0.00 C ATOM 0 H VAL A 9 -7.914 9.941 -3.445 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.346 10.685 -4.254 1.00 0.00 H new ATOM 0 HB VAL A 9 -8.057 11.729 -5.092 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.960 12.129 -7.305 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.201 13.077 -6.004 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.408 11.603 -6.609 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -7.975 9.979 -6.879 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -6.468 9.350 -6.171 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.988 9.267 -5.248 1.00 0.00 H new ATOM 134 N SER A 10 -7.123 13.256 -3.096 1.00 0.00 N ATOM 135 CA SER A 10 -7.058 14.564 -2.426 1.00 0.00 C ATOM 136 C SER A 10 -6.272 14.499 -1.108 1.00 0.00 C ATOM 137 O SER A 10 -5.455 15.382 -0.829 1.00 0.00 O ATOM 138 CB SER A 10 -8.485 15.075 -2.185 1.00 0.00 C ATOM 139 OG SER A 10 -8.504 16.289 -1.458 1.00 0.00 O ATOM 0 H SER A 10 -8.079 12.944 -3.266 1.00 0.00 H new ATOM 0 HA SER A 10 -6.522 15.257 -3.074 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.984 15.220 -3.143 1.00 0.00 H new ATOM 0 HB3 SER A 10 -9.052 14.319 -1.642 1.00 0.00 H new ATOM 0 HG SER A 10 -8.305 17.035 -2.062 1.00 0.00 H new ATOM 145 N SER A 11 -6.449 13.426 -0.322 1.00 0.00 N ATOM 146 CA SER A 11 -5.678 13.207 0.914 1.00 0.00 C ATOM 147 C SER A 11 -4.171 13.099 0.642 1.00 0.00 C ATOM 148 O SER A 11 -3.375 13.685 1.376 1.00 0.00 O ATOM 149 CB SER A 11 -6.185 11.968 1.664 1.00 0.00 C ATOM 150 OG SER A 11 -5.526 11.809 2.911 1.00 0.00 O ATOM 0 H SER A 11 -7.126 12.689 -0.522 1.00 0.00 H new ATOM 0 HA SER A 11 -5.831 14.081 1.547 1.00 0.00 H new ATOM 0 HB2 SER A 11 -7.259 12.055 1.827 1.00 0.00 H new ATOM 0 HB3 SER A 11 -6.026 11.080 1.052 1.00 0.00 H new ATOM 0 HG SER A 11 -5.872 11.012 3.365 1.00 0.00 H new ATOM 156 N LEU A 12 -3.769 12.438 -0.451 1.00 0.00 N ATOM 157 CA LEU A 12 -2.387 12.368 -0.934 1.00 0.00 C ATOM 158 C LEU A 12 -1.808 13.764 -1.179 1.00 0.00 C ATOM 159 O LEU A 12 -0.751 14.082 -0.639 1.00 0.00 O ATOM 160 CB LEU A 12 -2.299 11.494 -2.210 1.00 0.00 C ATOM 161 CG LEU A 12 -1.294 10.334 -2.149 1.00 0.00 C ATOM 162 CD1 LEU A 12 0.133 10.793 -1.848 1.00 0.00 C ATOM 163 CD2 LEU A 12 -1.727 9.308 -1.106 1.00 0.00 C ATOM 0 H LEU A 12 -4.420 11.921 -1.042 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.784 11.898 -0.157 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.288 11.085 -2.418 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.036 12.135 -3.051 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.288 9.882 -3.141 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.795 9.928 -1.818 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.467 11.478 -2.627 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.156 11.301 -0.884 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.004 8.493 -1.076 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.778 9.784 -0.127 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.708 8.913 -1.369 1.00 0.00 H new ATOM 175 N ILE A 13 -2.509 14.605 -1.949 1.00 0.00 N ATOM 176 CA ILE A 13 -2.093 15.994 -2.225 1.00 0.00 C ATOM 177 C ILE A 13 -1.907 16.783 -0.920 1.00 0.00 C ATOM 178 O ILE A 13 -0.862 17.398 -0.706 1.00 0.00 O ATOM 179 CB ILE A 13 -3.075 16.748 -3.159 1.00 0.00 C ATOM 180 CG1 ILE A 13 -3.567 15.958 -4.386 1.00 0.00 C ATOM 181 CG2 ILE A 13 -2.415 18.051 -3.640 1.00 0.00 C ATOM 182 CD1 ILE A 13 -2.469 15.392 -5.290 1.00 0.00 C ATOM 0 H ILE A 13 -3.385 14.344 -2.402 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.139 15.923 -2.747 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.963 16.929 -2.553 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.189 15.133 -4.039 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -4.205 16.609 -4.983 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.101 18.585 -4.297 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.175 18.676 -2.780 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.500 17.816 -4.184 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.924 14.855 -6.122 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.858 16.208 -5.675 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -1.842 14.709 -4.717 1.00 0.00 H new ATOM 194 N ALA A 14 -2.907 16.746 -0.034 1.00 0.00 N ATOM 195 CA ALA A 14 -2.893 17.435 1.257 1.00 0.00 C ATOM 196 C ALA A 14 -1.729 16.986 2.164 1.00 0.00 C ATOM 197 O ALA A 14 -0.996 17.822 2.695 1.00 0.00 O ATOM 198 CB ALA A 14 -4.254 17.229 1.933 1.00 0.00 C ATOM 0 H ALA A 14 -3.767 16.224 -0.200 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.724 18.498 1.083 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.262 17.736 2.898 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.040 17.641 1.300 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.429 16.163 2.082 1.00 0.00 H new ATOM 204 N LEU A 15 -1.534 15.675 2.330 1.00 0.00 N ATOM 205 CA LEU A 15 -0.451 15.077 3.118 1.00 0.00 C ATOM 206 C LEU A 15 0.937 15.394 2.530 1.00 0.00 C ATOM 207 O LEU A 15 1.862 15.734 3.268 1.00 0.00 O ATOM 208 CB LEU A 15 -0.716 13.563 3.205 1.00 0.00 C ATOM 209 CG LEU A 15 0.271 12.771 4.081 1.00 0.00 C ATOM 210 CD1 LEU A 15 0.283 13.257 5.532 1.00 0.00 C ATOM 211 CD2 LEU A 15 -0.125 11.295 4.076 1.00 0.00 C ATOM 0 H LEU A 15 -2.145 14.977 1.906 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.440 15.507 4.120 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.723 13.409 3.592 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.695 13.149 2.197 1.00 0.00 H new ATOM 0 HG LEU A 15 1.266 12.920 3.662 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.995 12.666 6.108 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.575 14.307 5.562 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.712 13.145 5.962 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.571 10.729 4.695 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.134 11.188 4.474 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.095 10.914 3.055 1.00 0.00 H new ATOM 223 N CYS A 16 1.075 15.329 1.205 1.00 0.00 N ATOM 224 CA CYS A 16 2.270 15.719 0.457 1.00 0.00 C ATOM 225 C CYS A 16 2.647 17.192 0.707 1.00 0.00 C ATOM 226 O CYS A 16 3.783 17.493 1.083 1.00 0.00 O ATOM 227 CB CYS A 16 2.004 15.405 -1.022 1.00 0.00 C ATOM 228 SG CYS A 16 3.488 15.653 -2.019 1.00 0.00 S ATOM 0 H CYS A 16 0.327 14.990 0.600 1.00 0.00 H new ATOM 0 HA CYS A 16 3.139 15.154 0.795 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.663 14.374 -1.122 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.202 16.043 -1.394 1.00 0.00 H new ATOM 0 HG CYS A 16 3.227 15.377 -3.262 1.00 0.00 H new ATOM 234 N GLU A 17 1.682 18.109 0.569 1.00 0.00 N ATOM 235 CA GLU A 17 1.830 19.531 0.904 1.00 0.00 C ATOM 236 C GLU A 17 2.244 19.739 2.370 1.00 0.00 C ATOM 237 O GLU A 17 3.217 20.448 2.635 1.00 0.00 O ATOM 238 CB GLU A 17 0.535 20.276 0.530 1.00 0.00 C ATOM 239 CG GLU A 17 0.673 21.804 0.443 1.00 0.00 C ATOM 240 CD GLU A 17 0.760 22.528 1.804 1.00 0.00 C ATOM 241 OE1 GLU A 17 -0.037 22.221 2.723 1.00 0.00 O ATOM 242 OE2 GLU A 17 1.585 23.464 1.933 1.00 0.00 O ATOM 0 H GLU A 17 0.755 17.878 0.213 1.00 0.00 H new ATOM 0 HA GLU A 17 2.646 19.955 0.319 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.182 19.902 -0.431 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.231 20.036 1.267 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.566 22.041 -0.136 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.179 22.200 -0.109 1.00 0.00 H new ATOM 249 N GLU A 18 1.566 19.081 3.316 1.00 0.00 N ATOM 250 CA GLU A 18 1.864 19.157 4.751 1.00 0.00 C ATOM 251 C GLU A 18 3.295 18.706 5.090 1.00 0.00 C ATOM 252 O GLU A 18 4.008 19.414 5.802 1.00 0.00 O ATOM 253 CB GLU A 18 0.812 18.369 5.550 1.00 0.00 C ATOM 254 CG GLU A 18 0.961 18.586 7.062 1.00 0.00 C ATOM 255 CD GLU A 18 -0.195 17.925 7.839 1.00 0.00 C ATOM 256 OE1 GLU A 18 -1.246 18.581 8.048 1.00 0.00 O ATOM 257 OE2 GLU A 18 -0.056 16.751 8.263 1.00 0.00 O ATOM 0 H GLU A 18 0.779 18.468 3.102 1.00 0.00 H new ATOM 0 HA GLU A 18 1.811 20.206 5.042 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.186 18.675 5.236 1.00 0.00 H new ATOM 0 HB3 GLU A 18 0.906 17.307 5.325 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.912 18.173 7.399 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.983 19.654 7.278 1.00 0.00 H new ATOM 264 N HIS A 19 3.758 17.571 4.555 1.00 0.00 N ATOM 265 CA HIS A 19 5.148 17.135 4.719 1.00 0.00 C ATOM 266 C HIS A 19 6.141 18.149 4.134 1.00 0.00 C ATOM 267 O HIS A 19 7.160 18.438 4.765 1.00 0.00 O ATOM 268 CB HIS A 19 5.361 15.762 4.072 1.00 0.00 C ATOM 269 CG HIS A 19 4.761 14.605 4.833 1.00 0.00 C ATOM 270 ND1 HIS A 19 4.996 14.293 6.156 1.00 0.00 N ATOM 271 CD2 HIS A 19 3.973 13.616 4.311 1.00 0.00 C ATOM 272 CE1 HIS A 19 4.354 13.144 6.430 1.00 0.00 C ATOM 273 NE2 HIS A 19 3.723 12.691 5.333 1.00 0.00 N ATOM 0 H HIS A 19 3.185 16.934 4.001 1.00 0.00 H new ATOM 0 HA HIS A 19 5.338 17.062 5.790 1.00 0.00 H new ATOM 0 HB2 HIS A 19 4.935 15.779 3.069 1.00 0.00 H new ATOM 0 HB3 HIS A 19 6.432 15.590 3.961 1.00 0.00 H new ATOM 0 HD2 HIS A 19 3.610 13.559 3.296 1.00 0.00 H new ATOM 0 HE1 HIS A 19 4.346 12.655 7.393 1.00 0.00 H new ATOM 0 HE2 HIS A 19 3.169 11.838 5.259 1.00 0.00 H new ATOM 281 N ALA A 20 5.859 18.717 2.957 1.00 0.00 N ATOM 282 CA ALA A 20 6.767 19.655 2.300 1.00 0.00 C ATOM 283 C ALA A 20 6.968 20.948 3.098 1.00 0.00 C ATOM 284 O ALA A 20 8.110 21.376 3.263 1.00 0.00 O ATOM 285 CB ALA A 20 6.278 19.956 0.886 1.00 0.00 C ATOM 0 H ALA A 20 4.999 18.539 2.438 1.00 0.00 H new ATOM 0 HA ALA A 20 7.744 19.174 2.247 1.00 0.00 H new ATOM 0 HB1 ALA A 20 6.962 20.656 0.406 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.241 19.032 0.309 1.00 0.00 H new ATOM 0 HB3 ALA A 20 5.282 20.396 0.931 1.00 0.00 H new ATOM 291 N LYS A 21 5.903 21.564 3.631 1.00 0.00 N ATOM 292 CA LYS A 21 6.038 22.734 4.522 1.00 0.00 C ATOM 293 C LYS A 21 6.697 22.394 5.866 1.00 0.00 C ATOM 294 O LYS A 21 7.408 23.232 6.418 1.00 0.00 O ATOM 295 CB LYS A 21 4.688 23.445 4.728 1.00 0.00 C ATOM 296 CG LYS A 21 3.646 22.581 5.456 1.00 0.00 C ATOM 297 CD LYS A 21 2.357 23.337 5.815 1.00 0.00 C ATOM 298 CE LYS A 21 2.585 24.393 6.904 1.00 0.00 C ATOM 299 NZ LYS A 21 1.317 25.074 7.277 1.00 0.00 N ATOM 0 H LYS A 21 4.939 21.275 3.463 1.00 0.00 H new ATOM 0 HA LYS A 21 6.712 23.424 4.014 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.851 24.360 5.297 1.00 0.00 H new ATOM 0 HB3 LYS A 21 4.290 23.740 3.757 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.393 21.727 4.828 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.090 22.184 6.369 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.961 23.820 4.922 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.604 22.626 6.154 1.00 0.00 H new ATOM 0 HE2 LYS A 21 3.018 23.920 7.785 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.305 25.131 6.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.507 25.781 8.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.917 25.545 6.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.639 24.372 7.636 1.00 0.00 H new ATOM 313 N LYS A 22 6.508 21.168 6.377 1.00 0.00 N ATOM 314 CA LYS A 22 7.050 20.711 7.674 1.00 0.00 C ATOM 315 C LYS A 22 8.558 20.493 7.579 1.00 0.00 C ATOM 316 O LYS A 22 9.312 20.933 8.446 1.00 0.00 O ATOM 317 CB LYS A 22 6.276 19.457 8.131 1.00 0.00 C ATOM 318 CG LYS A 22 6.536 19.008 9.581 1.00 0.00 C ATOM 319 CD LYS A 22 7.766 18.100 9.763 1.00 0.00 C ATOM 320 CE LYS A 22 7.846 17.512 11.181 1.00 0.00 C ATOM 321 NZ LYS A 22 8.120 18.545 12.216 1.00 0.00 N ATOM 0 H LYS A 22 5.965 20.451 5.895 1.00 0.00 H new ATOM 0 HA LYS A 22 6.908 21.477 8.437 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.209 19.647 8.014 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.528 18.633 7.463 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.660 19.894 10.204 1.00 0.00 H new ATOM 0 HG3 LYS A 22 5.655 18.481 9.947 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.728 17.289 9.036 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.671 18.671 9.556 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.908 17.009 11.415 1.00 0.00 H new ATOM 0 HE3 LYS A 22 8.630 16.755 11.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.164 18.095 13.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 9.028 19.009 12.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.360 19.255 12.208 1.00 0.00 H new ATOM 335 N ASN A 23 9.000 19.878 6.481 1.00 0.00 N ATOM 336 CA ASN A 23 10.416 19.711 6.130 1.00 0.00 C ATOM 337 C ASN A 23 11.037 20.965 5.475 1.00 0.00 C ATOM 338 O ASN A 23 12.225 20.971 5.151 1.00 0.00 O ATOM 339 CB ASN A 23 10.536 18.471 5.225 1.00 0.00 C ATOM 340 CG ASN A 23 11.962 17.941 5.121 1.00 0.00 C ATOM 341 OD1 ASN A 23 12.725 17.922 6.077 1.00 0.00 O ATOM 342 ND2 ASN A 23 12.364 17.470 3.963 1.00 0.00 N ATOM 0 H ASN A 23 8.368 19.471 5.791 1.00 0.00 H new ATOM 0 HA ASN A 23 10.990 19.569 7.046 1.00 0.00 H new ATOM 0 HB2 ASN A 23 9.889 17.683 5.611 1.00 0.00 H new ATOM 0 HB3 ASN A 23 10.174 18.720 4.228 1.00 0.00 H new ATOM 0 HD21 ASN A 23 13.306 17.092 3.866 1.00 0.00 H new ATOM 0 HD22 ASN A 23 11.734 17.482 3.161 1.00 0.00 H new ATOM 349 N GLN A 24 10.244 22.026 5.276 1.00 0.00 N ATOM 350 CA GLN A 24 10.613 23.295 4.628 1.00 0.00 C ATOM 351 C GLN A 24 11.173 23.098 3.200 1.00 0.00 C ATOM 352 O GLN A 24 12.018 23.861 2.727 1.00 0.00 O ATOM 353 CB GLN A 24 11.529 24.113 5.562 1.00 0.00 C ATOM 354 CG GLN A 24 10.876 24.432 6.919 1.00 0.00 C ATOM 355 CD GLN A 24 11.910 24.902 7.938 1.00 0.00 C ATOM 356 OE1 GLN A 24 12.229 26.080 8.055 1.00 0.00 O ATOM 357 NE2 GLN A 24 12.483 24.000 8.709 1.00 0.00 N ATOM 0 H GLN A 24 9.270 22.023 5.580 1.00 0.00 H new ATOM 0 HA GLN A 24 9.709 23.884 4.471 1.00 0.00 H new ATOM 0 HB2 GLN A 24 12.453 23.560 5.731 1.00 0.00 H new ATOM 0 HB3 GLN A 24 11.802 25.046 5.068 1.00 0.00 H new ATOM 0 HG2 GLN A 24 10.117 25.203 6.787 1.00 0.00 H new ATOM 0 HG3 GLN A 24 10.367 23.545 7.297 1.00 0.00 H new ATOM 0 HE21 GLN A 24 12.226 23.017 8.621 1.00 0.00 H new ATOM 0 HE22 GLN A 24 13.183 24.285 9.394 1.00 0.00 H new ATOM 366 N ALA A 25 10.722 22.039 2.516 1.00 0.00 N ATOM 367 CA ALA A 25 11.156 21.642 1.179 1.00 0.00 C ATOM 368 C ALA A 25 10.459 22.451 0.068 1.00 0.00 C ATOM 369 O ALA A 25 11.094 22.838 -0.912 1.00 0.00 O ATOM 370 CB ALA A 25 10.863 20.145 1.035 1.00 0.00 C ATOM 0 H ALA A 25 10.015 21.412 2.899 1.00 0.00 H new ATOM 0 HA ALA A 25 12.221 21.846 1.065 1.00 0.00 H new ATOM 0 HB1 ALA A 25 11.173 19.807 0.046 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.412 19.592 1.797 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.794 19.970 1.159 1.00 0.00 H new ATOM 376 N HIS A 26 9.151 22.697 0.224 1.00 0.00 N ATOM 377 CA HIS A 26 8.243 23.437 -0.677 1.00 0.00 C ATOM 378 C HIS A 26 8.174 22.974 -2.157 1.00 0.00 C ATOM 379 O HIS A 26 7.413 23.542 -2.943 1.00 0.00 O ATOM 380 CB HIS A 26 8.490 24.947 -0.522 1.00 0.00 C ATOM 381 CG HIS A 26 8.383 25.419 0.910 1.00 0.00 C ATOM 382 ND1 HIS A 26 7.219 25.555 1.636 1.00 0.00 N ATOM 383 CD2 HIS A 26 9.426 25.752 1.732 1.00 0.00 C ATOM 384 CE1 HIS A 26 7.551 25.964 2.874 1.00 0.00 C ATOM 385 NE2 HIS A 26 8.887 26.092 2.979 1.00 0.00 N ATOM 0 H HIS A 26 8.656 22.358 1.049 1.00 0.00 H new ATOM 0 HA HIS A 26 7.237 23.185 -0.342 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.481 25.189 -0.905 1.00 0.00 H new ATOM 0 HB3 HIS A 26 7.770 25.492 -1.133 1.00 0.00 H new ATOM 0 HD2 HIS A 26 10.473 25.752 1.467 1.00 0.00 H new ATOM 0 HE1 HIS A 26 6.847 26.161 3.669 1.00 0.00 H new ATOM 0 HE2 HIS A 26 9.407 26.381 3.808 1.00 0.00 H new ATOM 393 N LYS A 27 8.897 21.913 -2.536 1.00 0.00 N ATOM 394 CA LYS A 27 8.783 21.125 -3.778 1.00 0.00 C ATOM 395 C LYS A 27 9.036 19.644 -3.477 1.00 0.00 C ATOM 396 O LYS A 27 9.634 19.314 -2.451 1.00 0.00 O ATOM 397 CB LYS A 27 9.791 21.624 -4.835 1.00 0.00 C ATOM 398 CG LYS A 27 9.410 22.991 -5.428 1.00 0.00 C ATOM 399 CD LYS A 27 10.339 23.466 -6.556 1.00 0.00 C ATOM 400 CE LYS A 27 10.364 22.493 -7.743 1.00 0.00 C ATOM 401 NZ LYS A 27 10.950 23.117 -8.957 1.00 0.00 N ATOM 0 H LYS A 27 9.638 21.551 -1.936 1.00 0.00 H new ATOM 0 HA LYS A 27 7.776 21.248 -4.176 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.780 21.693 -4.382 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.859 20.891 -5.639 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.390 22.938 -5.810 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.414 23.735 -4.631 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.014 24.448 -6.901 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.350 23.584 -6.165 1.00 0.00 H new ATOM 0 HE2 LYS A 27 10.941 21.608 -7.475 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.350 22.159 -7.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 10.949 22.428 -9.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 10.385 23.947 -9.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 11.927 23.413 -8.758 1.00 0.00 H new ATOM 415 N ILE A 28 8.617 18.761 -4.381 1.00 0.00 N ATOM 416 CA ILE A 28 8.734 17.294 -4.265 1.00 0.00 C ATOM 417 C ILE A 28 9.719 16.755 -5.322 1.00 0.00 C ATOM 418 O ILE A 28 10.116 17.465 -6.247 1.00 0.00 O ATOM 419 CB ILE A 28 7.327 16.648 -4.376 1.00 0.00 C ATOM 420 CG1 ILE A 28 6.246 17.372 -3.537 1.00 0.00 C ATOM 421 CG2 ILE A 28 7.298 15.145 -4.018 1.00 0.00 C ATOM 422 CD1 ILE A 28 6.472 17.356 -2.020 1.00 0.00 C ATOM 0 H ILE A 28 8.169 19.050 -5.250 1.00 0.00 H new ATOM 0 HA ILE A 28 9.139 17.028 -3.289 1.00 0.00 H new ATOM 0 HB ILE A 28 7.090 16.759 -5.434 1.00 0.00 H new ATOM 0 HG12 ILE A 28 6.187 18.409 -3.868 1.00 0.00 H new ATOM 0 HG13 ILE A 28 5.279 16.915 -3.748 1.00 0.00 H new ATOM 0 HG21 ILE A 28 6.281 14.766 -4.120 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.958 14.598 -4.691 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.635 15.009 -2.990 1.00 0.00 H new ATOM 0 HD11 ILE A 28 5.660 17.889 -1.526 1.00 0.00 H new ATOM 0 HD12 ILE A 28 6.497 16.325 -1.667 1.00 0.00 H new ATOM 0 HD13 ILE A 28 7.419 17.842 -1.788 1.00 0.00 H new ATOM 434 N GLU A 29 10.120 15.491 -5.195 1.00 0.00 N ATOM 435 CA GLU A 29 10.928 14.746 -6.169 1.00 0.00 C ATOM 436 C GLU A 29 10.205 13.462 -6.627 1.00 0.00 C ATOM 437 O GLU A 29 10.023 13.261 -7.832 1.00 0.00 O ATOM 438 CB GLU A 29 12.321 14.464 -5.576 1.00 0.00 C ATOM 439 CG GLU A 29 13.314 14.002 -6.650 1.00 0.00 C ATOM 440 CD GLU A 29 14.703 13.696 -6.057 1.00 0.00 C ATOM 441 OE1 GLU A 29 15.304 14.579 -5.398 1.00 0.00 O ATOM 442 OE2 GLU A 29 15.221 12.572 -6.270 1.00 0.00 O ATOM 0 H GLU A 29 9.882 14.931 -4.376 1.00 0.00 H new ATOM 0 HA GLU A 29 11.064 15.352 -7.065 1.00 0.00 H new ATOM 0 HB2 GLU A 29 12.700 15.365 -5.094 1.00 0.00 H new ATOM 0 HB3 GLU A 29 12.239 13.699 -4.803 1.00 0.00 H new ATOM 0 HG2 GLU A 29 12.926 13.111 -7.144 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.408 14.774 -7.414 1.00 0.00 H new ATOM 449 N ARG A 30 9.765 12.602 -5.689 1.00 0.00 N ATOM 450 CA ARG A 30 9.034 11.360 -5.983 1.00 0.00 C ATOM 451 C ARG A 30 8.211 10.855 -4.788 1.00 0.00 C ATOM 452 O ARG A 30 8.763 10.355 -3.811 1.00 0.00 O ATOM 453 CB ARG A 30 10.044 10.287 -6.441 1.00 0.00 C ATOM 454 CG ARG A 30 9.392 9.091 -7.151 1.00 0.00 C ATOM 455 CD ARG A 30 8.706 9.455 -8.480 1.00 0.00 C ATOM 456 NE ARG A 30 9.643 10.073 -9.438 1.00 0.00 N ATOM 457 CZ ARG A 30 10.298 9.480 -10.421 1.00 0.00 C ATOM 458 NH1 ARG A 30 10.192 8.207 -10.685 1.00 0.00 N ATOM 459 NH2 ARG A 30 11.099 10.177 -11.175 1.00 0.00 N ATOM 0 H ARG A 30 9.911 12.755 -4.691 1.00 0.00 H new ATOM 0 HA ARG A 30 8.316 11.569 -6.776 1.00 0.00 H new ATOM 0 HB2 ARG A 30 10.769 10.746 -7.113 1.00 0.00 H new ATOM 0 HB3 ARG A 30 10.597 9.926 -5.573 1.00 0.00 H new ATOM 0 HG2 ARG A 30 10.153 8.334 -7.341 1.00 0.00 H new ATOM 0 HG3 ARG A 30 8.656 8.642 -6.484 1.00 0.00 H new ATOM 0 HD2 ARG A 30 8.275 8.557 -8.923 1.00 0.00 H new ATOM 0 HD3 ARG A 30 7.882 10.141 -8.286 1.00 0.00 H new ATOM 0 HE ARG A 30 9.804 11.074 -9.329 1.00 0.00 H new ATOM 0 HH11 ARG A 30 9.580 7.618 -10.120 1.00 0.00 H new ATOM 0 HH12 ARG A 30 10.721 7.800 -11.457 1.00 0.00 H new ATOM 0 HH21 ARG A 30 11.219 11.176 -11.006 1.00 0.00 H new ATOM 0 HH22 ARG A 30 11.607 9.724 -11.935 1.00 0.00 H new ATOM 473 N VAL A 31 6.887 10.952 -4.860 1.00 0.00 N ATOM 474 CA VAL A 31 5.966 10.211 -3.977 1.00 0.00 C ATOM 475 C VAL A 31 6.011 8.722 -4.346 1.00 0.00 C ATOM 476 O VAL A 31 6.021 8.381 -5.528 1.00 0.00 O ATOM 477 CB VAL A 31 4.536 10.766 -4.111 1.00 0.00 C ATOM 478 CG1 VAL A 31 3.538 10.049 -3.198 1.00 0.00 C ATOM 479 CG2 VAL A 31 4.477 12.265 -3.788 1.00 0.00 C ATOM 0 H VAL A 31 6.410 11.550 -5.535 1.00 0.00 H new ATOM 0 HA VAL A 31 6.275 10.332 -2.939 1.00 0.00 H new ATOM 0 HB VAL A 31 4.259 10.594 -5.151 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.546 10.480 -3.333 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.510 8.989 -3.451 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.846 10.166 -2.159 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.452 12.620 -3.894 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.815 12.430 -2.765 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.123 12.811 -4.476 1.00 0.00 H new ATOM 489 N VAL A 32 6.025 7.824 -3.359 1.00 0.00 N ATOM 490 CA VAL A 32 6.127 6.364 -3.537 1.00 0.00 C ATOM 491 C VAL A 32 5.009 5.672 -2.755 1.00 0.00 C ATOM 492 O VAL A 32 4.845 5.903 -1.555 1.00 0.00 O ATOM 493 CB VAL A 32 7.510 5.827 -3.113 1.00 0.00 C ATOM 494 CG1 VAL A 32 7.673 4.359 -3.528 1.00 0.00 C ATOM 495 CG2 VAL A 32 8.668 6.611 -3.749 1.00 0.00 C ATOM 0 H VAL A 32 5.964 8.097 -2.378 1.00 0.00 H new ATOM 0 HA VAL A 32 6.014 6.142 -4.598 1.00 0.00 H new ATOM 0 HB VAL A 32 7.551 5.938 -2.029 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.655 4.001 -3.219 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.900 3.758 -3.049 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.580 4.274 -4.611 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.617 6.191 -3.417 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.601 6.542 -4.835 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.608 7.657 -3.447 1.00 0.00 H new ATOM 505 N VAL A 33 4.224 4.835 -3.435 1.00 0.00 N ATOM 506 CA VAL A 33 2.972 4.238 -2.937 1.00 0.00 C ATOM 507 C VAL A 33 2.978 2.728 -3.187 1.00 0.00 C ATOM 508 O VAL A 33 3.374 2.275 -4.256 1.00 0.00 O ATOM 509 CB VAL A 33 1.755 4.914 -3.610 1.00 0.00 C ATOM 510 CG1 VAL A 33 0.417 4.412 -3.052 1.00 0.00 C ATOM 511 CG2 VAL A 33 1.790 6.437 -3.403 1.00 0.00 C ATOM 0 H VAL A 33 4.447 4.539 -4.385 1.00 0.00 H new ATOM 0 HA VAL A 33 2.896 4.404 -1.862 1.00 0.00 H new ATOM 0 HB VAL A 33 1.826 4.658 -4.667 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.403 4.920 -3.560 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.335 3.337 -3.215 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.367 4.621 -1.983 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.924 6.890 -3.885 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.769 6.660 -2.336 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.702 6.843 -3.840 1.00 0.00 H new ATOM 521 N GLY A 34 2.543 1.941 -2.205 1.00 0.00 N ATOM 522 CA GLY A 34 2.470 0.481 -2.252 1.00 0.00 C ATOM 523 C GLY A 34 1.037 -0.002 -2.456 1.00 0.00 C ATOM 524 O GLY A 34 0.223 0.079 -1.535 1.00 0.00 O ATOM 0 H GLY A 34 2.217 2.320 -1.316 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.099 0.110 -3.062 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.866 0.066 -1.325 1.00 0.00 H new ATOM 528 N ILE A 35 0.723 -0.498 -3.654 1.00 0.00 N ATOM 529 CA ILE A 35 -0.579 -1.090 -4.005 1.00 0.00 C ATOM 530 C ILE A 35 -0.390 -2.601 -4.184 1.00 0.00 C ATOM 531 O ILE A 35 0.521 -3.037 -4.887 1.00 0.00 O ATOM 532 CB ILE A 35 -1.182 -0.414 -5.261 1.00 0.00 C ATOM 533 CG1 ILE A 35 -1.340 1.111 -5.034 1.00 0.00 C ATOM 534 CG2 ILE A 35 -2.537 -1.060 -5.609 1.00 0.00 C ATOM 535 CD1 ILE A 35 -2.053 1.876 -6.155 1.00 0.00 C ATOM 0 H ILE A 35 1.383 -0.501 -4.432 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.298 -0.919 -3.203 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.503 -0.561 -6.101 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.889 1.267 -4.105 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.349 1.544 -4.895 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.953 -0.578 -6.494 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.393 -2.122 -5.808 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.224 -0.938 -4.772 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.110 2.933 -5.895 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.497 1.760 -7.085 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.060 1.479 -6.283 1.00 0.00 H new ATOM 547 N GLY A 36 -1.224 -3.409 -3.526 1.00 0.00 N ATOM 548 CA GLY A 36 -1.116 -4.871 -3.559 1.00 0.00 C ATOM 549 C GLY A 36 -1.384 -5.449 -4.951 1.00 0.00 C ATOM 550 O GLY A 36 -2.263 -4.978 -5.674 1.00 0.00 O ATOM 0 H GLY A 36 -1.996 -3.068 -2.953 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -0.118 -5.166 -3.233 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.823 -5.300 -2.849 1.00 0.00 H new ATOM 554 N GLU A 37 -0.675 -6.515 -5.328 1.00 0.00 N ATOM 555 CA GLU A 37 -0.831 -7.154 -6.644 1.00 0.00 C ATOM 556 C GLU A 37 -2.186 -7.877 -6.811 1.00 0.00 C ATOM 557 O GLU A 37 -2.549 -8.265 -7.924 1.00 0.00 O ATOM 558 CB GLU A 37 0.373 -8.058 -6.974 1.00 0.00 C ATOM 559 CG GLU A 37 0.547 -9.283 -6.068 1.00 0.00 C ATOM 560 CD GLU A 37 1.691 -10.178 -6.578 1.00 0.00 C ATOM 561 OE1 GLU A 37 2.873 -9.908 -6.254 1.00 0.00 O ATOM 562 OE2 GLU A 37 1.419 -11.163 -7.305 1.00 0.00 O ATOM 0 H GLU A 37 0.023 -6.962 -4.734 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.844 -6.353 -7.383 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.276 -8.401 -8.004 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.281 -7.457 -6.922 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.758 -8.961 -5.048 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.381 -9.853 -6.037 1.00 0.00 H new ATOM 569 N ARG A 38 -2.963 -8.007 -5.720 1.00 0.00 N ATOM 570 CA ARG A 38 -4.354 -8.485 -5.674 1.00 0.00 C ATOM 571 C ARG A 38 -5.362 -7.439 -5.158 1.00 0.00 C ATOM 572 O ARG A 38 -6.525 -7.771 -4.935 1.00 0.00 O ATOM 573 CB ARG A 38 -4.434 -9.804 -4.876 1.00 0.00 C ATOM 574 CG ARG A 38 -3.627 -10.980 -5.462 1.00 0.00 C ATOM 575 CD ARG A 38 -3.994 -11.340 -6.907 1.00 0.00 C ATOM 576 NE ARG A 38 -5.409 -11.741 -7.045 1.00 0.00 N ATOM 577 CZ ARG A 38 -6.128 -11.758 -8.153 1.00 0.00 C ATOM 578 NH1 ARG A 38 -5.634 -11.407 -9.307 1.00 0.00 N ATOM 579 NH2 ARG A 38 -7.374 -12.134 -8.124 1.00 0.00 N ATOM 0 H ARG A 38 -2.614 -7.766 -4.792 1.00 0.00 H new ATOM 0 HA ARG A 38 -4.655 -8.672 -6.705 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -4.086 -9.616 -3.860 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -5.480 -10.103 -4.804 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.566 -10.734 -5.420 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -3.776 -11.857 -4.832 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -3.797 -10.484 -7.553 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -3.354 -12.153 -7.250 1.00 0.00 H new ATOM 0 HE ARG A 38 -5.883 -12.037 -6.192 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -4.662 -11.106 -9.375 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -6.220 -11.433 -10.142 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -7.801 -12.418 -7.242 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -7.924 -12.145 -8.983 1.00 0.00 H new ATOM 593 N SER A 39 -4.957 -6.172 -5.007 1.00 0.00 N ATOM 594 CA SER A 39 -5.838 -5.049 -4.612 1.00 0.00 C ATOM 595 C SER A 39 -6.884 -4.653 -5.672 1.00 0.00 C ATOM 596 O SER A 39 -7.732 -3.802 -5.402 1.00 0.00 O ATOM 597 CB SER A 39 -5.011 -3.815 -4.224 1.00 0.00 C ATOM 598 OG SER A 39 -4.197 -4.075 -3.094 1.00 0.00 O ATOM 0 H SER A 39 -3.990 -5.886 -5.157 1.00 0.00 H new ATOM 0 HA SER A 39 -6.395 -5.420 -3.752 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.385 -3.515 -5.064 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.678 -2.980 -4.010 1.00 0.00 H new ATOM 0 HG SER A 39 -4.298 -5.012 -2.827 1.00 0.00 H new ATOM 604 N ALA A 40 -6.854 -5.268 -6.865 1.00 0.00 N ATOM 605 CA ALA A 40 -7.853 -5.160 -7.939 1.00 0.00 C ATOM 606 C ALA A 40 -8.139 -3.723 -8.444 1.00 0.00 C ATOM 607 O ALA A 40 -9.207 -3.451 -8.999 1.00 0.00 O ATOM 608 CB ALA A 40 -9.108 -5.943 -7.522 1.00 0.00 C ATOM 0 H ALA A 40 -6.087 -5.890 -7.120 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.427 -5.616 -8.833 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.859 -5.872 -8.309 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.848 -6.989 -7.362 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.509 -5.523 -6.599 1.00 0.00 H new ATOM 614 N MET A 41 -7.180 -2.806 -8.268 1.00 0.00 N ATOM 615 CA MET A 41 -7.241 -1.402 -8.705 1.00 0.00 C ATOM 616 C MET A 41 -6.118 -1.070 -9.702 1.00 0.00 C ATOM 617 O MET A 41 -4.947 -1.377 -9.473 1.00 0.00 O ATOM 618 CB MET A 41 -7.260 -0.462 -7.484 1.00 0.00 C ATOM 619 CG MET A 41 -6.023 -0.563 -6.579 1.00 0.00 C ATOM 620 SD MET A 41 -6.020 0.539 -5.138 1.00 0.00 S ATOM 621 CE MET A 41 -7.348 -0.185 -4.137 1.00 0.00 C ATOM 0 H MET A 41 -6.303 -3.029 -7.798 1.00 0.00 H new ATOM 0 HA MET A 41 -8.174 -1.245 -9.247 1.00 0.00 H new ATOM 0 HB2 MET A 41 -7.354 0.566 -7.835 1.00 0.00 H new ATOM 0 HB3 MET A 41 -8.147 -0.678 -6.889 1.00 0.00 H new ATOM 0 HG2 MET A 41 -5.933 -1.591 -6.229 1.00 0.00 H new ATOM 0 HG3 MET A 41 -5.137 -0.352 -7.178 1.00 0.00 H new ATOM 0 HE1 MET A 41 -7.270 0.178 -3.112 1.00 0.00 H new ATOM 0 HE2 MET A 41 -8.314 0.103 -4.551 1.00 0.00 H new ATOM 0 HE3 MET A 41 -7.259 -1.271 -4.145 1.00 0.00 H new ATOM 631 N ASP A 42 -6.478 -0.460 -10.832 1.00 0.00 N ATOM 632 CA ASP A 42 -5.548 -0.030 -11.882 1.00 0.00 C ATOM 633 C ASP A 42 -4.753 1.220 -11.458 1.00 0.00 C ATOM 634 O ASP A 42 -5.297 2.324 -11.358 1.00 0.00 O ATOM 635 CB ASP A 42 -6.315 0.213 -13.192 1.00 0.00 C ATOM 636 CG ASP A 42 -6.706 -1.106 -13.877 1.00 0.00 C ATOM 637 OD1 ASP A 42 -5.819 -1.754 -14.483 1.00 0.00 O ATOM 638 OD2 ASP A 42 -7.898 -1.494 -13.822 1.00 0.00 O ATOM 0 H ASP A 42 -7.451 -0.245 -11.050 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.822 -0.826 -12.045 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -7.213 0.795 -12.985 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.700 0.806 -13.869 1.00 0.00 H new ATOM 643 N LYS A 43 -3.442 1.061 -11.231 1.00 0.00 N ATOM 644 CA LYS A 43 -2.510 2.130 -10.828 1.00 0.00 C ATOM 645 C LYS A 43 -2.496 3.347 -11.763 1.00 0.00 C ATOM 646 O LYS A 43 -2.284 4.472 -11.314 1.00 0.00 O ATOM 647 CB LYS A 43 -1.106 1.528 -10.660 1.00 0.00 C ATOM 648 CG LYS A 43 -0.524 0.878 -11.930 1.00 0.00 C ATOM 649 CD LYS A 43 0.954 0.494 -11.777 1.00 0.00 C ATOM 650 CE LYS A 43 1.256 -0.575 -10.715 1.00 0.00 C ATOM 651 NZ LYS A 43 0.830 -1.935 -11.133 1.00 0.00 N ATOM 0 H LYS A 43 -2.983 0.155 -11.325 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.867 2.528 -9.878 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.427 2.313 -10.327 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.140 0.779 -9.869 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.103 -0.013 -12.175 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.631 1.568 -12.767 1.00 0.00 H new ATOM 0 HD2 LYS A 43 1.320 0.137 -12.740 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.521 1.393 -11.534 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.326 -0.582 -10.506 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.752 -0.310 -9.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.147 -2.630 -10.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.207 -1.966 -11.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.251 -2.162 -12.057 1.00 0.00 H new ATOM 665 N SER A 44 -2.779 3.124 -13.049 1.00 0.00 N ATOM 666 CA SER A 44 -2.912 4.155 -14.088 1.00 0.00 C ATOM 667 C SER A 44 -4.016 5.173 -13.770 1.00 0.00 C ATOM 668 O SER A 44 -3.828 6.368 -14.001 1.00 0.00 O ATOM 669 CB SER A 44 -3.171 3.487 -15.445 1.00 0.00 C ATOM 670 OG SER A 44 -3.003 4.402 -16.517 1.00 0.00 O ATOM 0 H SER A 44 -2.928 2.183 -13.412 1.00 0.00 H new ATOM 0 HA SER A 44 -1.975 4.711 -14.123 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.490 2.646 -15.573 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.183 3.083 -15.465 1.00 0.00 H new ATOM 0 HG SER A 44 -3.174 3.945 -17.367 1.00 0.00 H new ATOM 676 N LEU A 45 -5.143 4.738 -13.188 1.00 0.00 N ATOM 677 CA LEU A 45 -6.199 5.656 -12.727 1.00 0.00 C ATOM 678 C LEU A 45 -5.684 6.491 -11.563 1.00 0.00 C ATOM 679 O LEU A 45 -5.904 7.700 -11.518 1.00 0.00 O ATOM 680 CB LEU A 45 -7.476 4.931 -12.251 1.00 0.00 C ATOM 681 CG LEU A 45 -7.918 3.747 -13.103 1.00 0.00 C ATOM 682 CD1 LEU A 45 -9.177 3.106 -12.519 1.00 0.00 C ATOM 683 CD2 LEU A 45 -8.184 4.114 -14.565 1.00 0.00 C ATOM 0 H LEU A 45 -5.349 3.752 -13.024 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.457 6.273 -13.588 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -7.315 4.582 -11.231 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -8.291 5.654 -12.215 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.085 3.044 -13.086 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -9.478 2.263 -13.141 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.971 2.756 -11.507 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.981 3.842 -12.492 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.495 3.224 -15.113 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -8.973 4.864 -14.614 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.274 4.515 -15.011 1.00 0.00 H new ATOM 695 N PHE A 46 -5.011 5.832 -10.613 1.00 0.00 N ATOM 696 CA PHE A 46 -4.627 6.459 -9.361 1.00 0.00 C ATOM 697 C PHE A 46 -3.679 7.643 -9.584 1.00 0.00 C ATOM 698 O PHE A 46 -3.935 8.758 -9.123 1.00 0.00 O ATOM 699 CB PHE A 46 -3.990 5.451 -8.397 1.00 0.00 C ATOM 700 CG PHE A 46 -3.594 6.090 -7.078 1.00 0.00 C ATOM 701 CD1 PHE A 46 -4.593 6.660 -6.265 1.00 0.00 C ATOM 702 CD2 PHE A 46 -2.242 6.169 -6.680 1.00 0.00 C ATOM 703 CE1 PHE A 46 -4.260 7.264 -5.042 1.00 0.00 C ATOM 704 CE2 PHE A 46 -1.924 6.720 -5.427 1.00 0.00 C ATOM 705 CZ PHE A 46 -2.923 7.275 -4.610 1.00 0.00 C ATOM 0 H PHE A 46 -4.723 4.857 -10.697 1.00 0.00 H new ATOM 0 HA PHE A 46 -5.544 6.837 -8.909 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -4.691 4.638 -8.209 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -3.109 5.011 -8.864 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.624 6.632 -6.585 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.460 5.810 -7.332 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -5.029 7.719 -4.435 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.899 6.717 -5.088 1.00 0.00 H new ATOM 0 HZ PHE A 46 -2.665 7.708 -3.655 1.00 0.00 H new ATOM 715 N VAL A 47 -2.598 7.409 -10.336 1.00 0.00 N ATOM 716 CA VAL A 47 -1.660 8.472 -10.721 1.00 0.00 C ATOM 717 C VAL A 47 -2.328 9.543 -11.556 1.00 0.00 C ATOM 718 O VAL A 47 -2.120 10.721 -11.299 1.00 0.00 O ATOM 719 CB VAL A 47 -0.432 7.913 -11.433 1.00 0.00 C ATOM 720 CG1 VAL A 47 -0.661 7.269 -12.799 1.00 0.00 C ATOM 721 CG2 VAL A 47 0.687 8.949 -11.547 1.00 0.00 C ATOM 0 H VAL A 47 -2.349 6.486 -10.693 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.324 8.940 -9.796 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.139 7.096 -10.774 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.289 6.913 -13.197 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.348 6.430 -12.695 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.087 8.005 -13.481 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.541 8.507 -12.060 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.330 9.810 -12.112 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.989 9.269 -10.550 1.00 0.00 H new ATOM 731 N SER A 48 -3.175 9.159 -12.509 1.00 0.00 N ATOM 732 CA SER A 48 -3.888 10.129 -13.335 1.00 0.00 C ATOM 733 C SER A 48 -4.783 11.054 -12.490 1.00 0.00 C ATOM 734 O SER A 48 -4.875 12.253 -12.755 1.00 0.00 O ATOM 735 CB SER A 48 -4.682 9.387 -14.411 1.00 0.00 C ATOM 736 OG SER A 48 -5.281 10.291 -15.324 1.00 0.00 O ATOM 0 H SER A 48 -3.384 8.185 -12.727 1.00 0.00 H new ATOM 0 HA SER A 48 -3.162 10.780 -13.822 1.00 0.00 H new ATOM 0 HB2 SER A 48 -4.022 8.707 -14.949 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.453 8.777 -13.941 1.00 0.00 H new ATOM 0 HG SER A 48 -5.781 9.789 -16.001 1.00 0.00 H new ATOM 742 N ALA A 49 -5.365 10.531 -11.403 1.00 0.00 N ATOM 743 CA ALA A 49 -6.133 11.315 -10.434 1.00 0.00 C ATOM 744 C ALA A 49 -5.226 12.278 -9.638 1.00 0.00 C ATOM 745 O ALA A 49 -5.519 13.473 -9.552 1.00 0.00 O ATOM 746 CB ALA A 49 -6.932 10.364 -9.529 1.00 0.00 C ATOM 0 H ALA A 49 -5.314 9.539 -11.171 1.00 0.00 H new ATOM 0 HA ALA A 49 -6.842 11.951 -10.964 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.505 10.945 -8.806 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.613 9.769 -10.138 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.246 9.703 -9.000 1.00 0.00 H new ATOM 752 N PHE A 50 -4.101 11.785 -9.098 1.00 0.00 N ATOM 753 CA PHE A 50 -3.067 12.602 -8.442 1.00 0.00 C ATOM 754 C PHE A 50 -2.545 13.743 -9.346 1.00 0.00 C ATOM 755 O PHE A 50 -2.483 14.897 -8.922 1.00 0.00 O ATOM 756 CB PHE A 50 -1.944 11.664 -7.972 1.00 0.00 C ATOM 757 CG PHE A 50 -0.680 12.330 -7.454 1.00 0.00 C ATOM 758 CD1 PHE A 50 -0.552 12.651 -6.089 1.00 0.00 C ATOM 759 CD2 PHE A 50 0.398 12.569 -8.329 1.00 0.00 C ATOM 760 CE1 PHE A 50 0.650 13.196 -5.602 1.00 0.00 C ATOM 761 CE2 PHE A 50 1.591 13.137 -7.847 1.00 0.00 C ATOM 762 CZ PHE A 50 1.722 13.437 -6.480 1.00 0.00 C ATOM 0 H PHE A 50 -3.880 10.789 -9.105 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.502 13.110 -7.581 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.341 11.024 -7.184 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.672 11.014 -8.803 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -1.378 12.479 -5.415 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.308 12.315 -9.375 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.750 13.430 -4.552 1.00 0.00 H new ATOM 0 HE2 PHE A 50 2.405 13.342 -8.526 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.645 13.852 -6.104 1.00 0.00 H new ATOM 772 N GLU A 51 -2.228 13.443 -10.609 1.00 0.00 N ATOM 773 CA GLU A 51 -1.790 14.399 -11.639 1.00 0.00 C ATOM 774 C GLU A 51 -2.812 15.524 -11.875 1.00 0.00 C ATOM 775 O GLU A 51 -2.432 16.684 -12.006 1.00 0.00 O ATOM 776 CB GLU A 51 -1.542 13.658 -12.966 1.00 0.00 C ATOM 777 CG GLU A 51 -0.324 12.723 -12.967 1.00 0.00 C ATOM 778 CD GLU A 51 1.001 13.461 -13.217 1.00 0.00 C ATOM 779 OE1 GLU A 51 1.144 14.139 -14.261 1.00 0.00 O ATOM 780 OE2 GLU A 51 1.898 13.437 -12.345 1.00 0.00 O ATOM 0 H GLU A 51 -2.270 12.486 -10.960 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.870 14.858 -11.277 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.430 13.075 -13.211 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.416 14.395 -13.759 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.270 12.205 -12.009 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.459 11.961 -13.734 1.00 0.00 H new ATOM 787 N THR A 52 -4.108 15.204 -11.919 1.00 0.00 N ATOM 788 CA THR A 52 -5.212 16.180 -12.013 1.00 0.00 C ATOM 789 C THR A 52 -5.325 17.057 -10.758 1.00 0.00 C ATOM 790 O THR A 52 -5.326 18.285 -10.861 1.00 0.00 O ATOM 791 CB THR A 52 -6.550 15.468 -12.293 1.00 0.00 C ATOM 792 OG1 THR A 52 -6.519 14.859 -13.568 1.00 0.00 O ATOM 793 CG2 THR A 52 -7.762 16.402 -12.296 1.00 0.00 C ATOM 0 H THR A 52 -4.433 14.238 -11.890 1.00 0.00 H new ATOM 0 HA THR A 52 -4.980 16.840 -12.849 1.00 0.00 H new ATOM 0 HB THR A 52 -6.660 14.748 -11.482 1.00 0.00 H new ATOM 0 HG1 THR A 52 -6.060 13.995 -13.507 1.00 0.00 H new ATOM 0 HG21 THR A 52 -8.665 15.826 -12.500 1.00 0.00 H new ATOM 0 HG22 THR A 52 -7.852 16.885 -11.323 1.00 0.00 H new ATOM 0 HG23 THR A 52 -7.634 17.162 -13.067 1.00 0.00 H new ATOM 801 N PHE A 53 -5.428 16.457 -9.566 1.00 0.00 N ATOM 802 CA PHE A 53 -5.674 17.168 -8.302 1.00 0.00 C ATOM 803 C PHE A 53 -4.470 17.962 -7.756 1.00 0.00 C ATOM 804 O PHE A 53 -4.625 18.670 -6.762 1.00 0.00 O ATOM 805 CB PHE A 53 -6.249 16.200 -7.249 1.00 0.00 C ATOM 806 CG PHE A 53 -7.753 16.023 -7.355 1.00 0.00 C ATOM 807 CD1 PHE A 53 -8.606 17.043 -6.889 1.00 0.00 C ATOM 808 CD2 PHE A 53 -8.309 14.860 -7.917 1.00 0.00 C ATOM 809 CE1 PHE A 53 -10.003 16.912 -7.005 1.00 0.00 C ATOM 810 CE2 PHE A 53 -9.704 14.733 -8.040 1.00 0.00 C ATOM 811 CZ PHE A 53 -10.553 15.756 -7.585 1.00 0.00 C ATOM 0 H PHE A 53 -5.342 15.447 -9.449 1.00 0.00 H new ATOM 0 HA PHE A 53 -6.414 17.935 -8.531 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -5.767 15.228 -7.357 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -6.003 16.569 -6.253 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -8.186 17.931 -6.440 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -7.663 14.063 -8.255 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -10.651 17.699 -6.649 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -10.125 13.844 -8.487 1.00 0.00 H new ATOM 0 HZ PHE A 53 -11.624 15.654 -7.681 1.00 0.00 H new ATOM 821 N ARG A 54 -3.297 17.929 -8.406 1.00 0.00 N ATOM 822 CA ARG A 54 -2.081 18.672 -8.011 1.00 0.00 C ATOM 823 C ARG A 54 -2.307 20.167 -7.750 1.00 0.00 C ATOM 824 O ARG A 54 -1.660 20.750 -6.884 1.00 0.00 O ATOM 825 CB ARG A 54 -0.982 18.442 -9.064 1.00 0.00 C ATOM 826 CG ARG A 54 -1.224 19.174 -10.400 1.00 0.00 C ATOM 827 CD ARG A 54 -0.227 18.892 -11.538 1.00 0.00 C ATOM 828 NE ARG A 54 0.838 17.921 -11.198 1.00 0.00 N ATOM 829 CZ ARG A 54 1.199 16.867 -11.905 1.00 0.00 C ATOM 830 NH1 ARG A 54 0.653 16.583 -13.050 1.00 0.00 N ATOM 831 NH2 ARG A 54 2.108 16.051 -11.471 1.00 0.00 N ATOM 0 H ARG A 54 -3.160 17.369 -9.247 1.00 0.00 H new ATOM 0 HA ARG A 54 -1.765 18.274 -7.047 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.026 18.767 -8.652 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -0.899 17.373 -9.258 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -2.223 18.916 -10.752 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.222 20.246 -10.205 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.778 18.520 -12.402 1.00 0.00 H new ATOM 0 HD3 ARG A 54 0.238 19.831 -11.837 1.00 0.00 H new ATOM 0 HE ARG A 54 1.345 18.084 -10.328 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.079 17.184 -13.429 1.00 0.00 H new ATOM 0 HH12 ARG A 54 0.957 15.760 -13.570 1.00 0.00 H new ATOM 0 HH21 ARG A 54 2.556 16.219 -10.570 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.375 15.241 -12.030 1.00 0.00 H new ATOM 845 N GLU A 55 -3.249 20.766 -8.481 1.00 0.00 N ATOM 846 CA GLU A 55 -3.631 22.190 -8.422 1.00 0.00 C ATOM 847 C GLU A 55 -4.267 22.611 -7.087 1.00 0.00 C ATOM 848 O GLU A 55 -4.319 23.794 -6.749 1.00 0.00 O ATOM 849 CB GLU A 55 -4.640 22.475 -9.538 1.00 0.00 C ATOM 850 CG GLU A 55 -4.050 22.318 -10.940 1.00 0.00 C ATOM 851 CD GLU A 55 -3.420 23.628 -11.458 1.00 0.00 C ATOM 852 OE1 GLU A 55 -2.343 24.030 -10.954 1.00 0.00 O ATOM 853 OE2 GLU A 55 -3.993 24.261 -12.378 1.00 0.00 O ATOM 0 H GLU A 55 -3.798 20.249 -9.168 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.710 22.762 -8.535 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -5.490 21.801 -9.431 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -5.022 23.490 -9.423 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -3.294 21.533 -10.928 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -4.832 21.996 -11.628 1.00 0.00 H new ATOM 860 N GLU A 56 -4.739 21.632 -6.318 1.00 0.00 N ATOM 861 CA GLU A 56 -5.169 21.771 -4.916 1.00 0.00 C ATOM 862 C GLU A 56 -4.016 22.166 -3.953 1.00 0.00 C ATOM 863 O GLU A 56 -4.258 22.534 -2.801 1.00 0.00 O ATOM 864 CB GLU A 56 -5.875 20.465 -4.500 1.00 0.00 C ATOM 865 CG GLU A 56 -6.741 20.590 -3.241 1.00 0.00 C ATOM 866 CD GLU A 56 -7.762 19.437 -3.148 1.00 0.00 C ATOM 867 OE1 GLU A 56 -7.371 18.294 -2.808 1.00 0.00 O ATOM 868 OE2 GLU A 56 -8.968 19.675 -3.405 1.00 0.00 O ATOM 0 H GLU A 56 -4.839 20.677 -6.663 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.868 22.604 -4.841 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.501 20.125 -5.325 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.121 19.695 -4.334 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.104 20.587 -2.357 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.267 21.545 -3.252 1.00 0.00 H new ATOM 875 N SER A 57 -2.768 22.160 -4.436 1.00 0.00 N ATOM 876 CA SER A 57 -1.551 22.677 -3.787 1.00 0.00 C ATOM 877 C SER A 57 -0.765 23.638 -4.701 1.00 0.00 C ATOM 878 O SER A 57 -1.181 23.932 -5.825 1.00 0.00 O ATOM 879 CB SER A 57 -0.649 21.501 -3.403 1.00 0.00 C ATOM 880 OG SER A 57 0.017 21.023 -4.553 1.00 0.00 O ATOM 0 H SER A 57 -2.565 21.767 -5.355 1.00 0.00 H new ATOM 0 HA SER A 57 -1.859 23.237 -2.904 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.077 21.816 -2.654 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.243 20.704 -2.956 1.00 0.00 H new ATOM 0 HG SER A 57 -0.619 20.958 -5.296 1.00 0.00 H new ATOM 886 N LEU A 58 0.423 24.065 -4.251 1.00 0.00 N ATOM 887 CA LEU A 58 1.511 24.501 -5.139 1.00 0.00 C ATOM 888 C LEU A 58 2.579 23.405 -5.321 1.00 0.00 C ATOM 889 O LEU A 58 2.953 23.074 -6.445 1.00 0.00 O ATOM 890 CB LEU A 58 2.095 25.832 -4.635 1.00 0.00 C ATOM 891 CG LEU A 58 2.402 26.805 -5.792 1.00 0.00 C ATOM 892 CD1 LEU A 58 2.717 28.196 -5.254 1.00 0.00 C ATOM 893 CD2 LEU A 58 3.585 26.365 -6.658 1.00 0.00 C ATOM 0 H LEU A 58 0.657 24.118 -3.260 1.00 0.00 H new ATOM 0 HA LEU A 58 1.104 24.675 -6.135 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.391 26.299 -3.946 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.009 25.637 -4.073 1.00 0.00 H new ATOM 0 HG LEU A 58 1.504 26.812 -6.410 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.931 28.868 -6.085 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.861 28.572 -4.694 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.585 28.144 -4.597 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.746 27.094 -7.452 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.481 26.296 -6.042 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.372 25.391 -7.098 1.00 0.00 H new ATOM 905 N VAL A 59 3.053 22.810 -4.223 1.00 0.00 N ATOM 906 CA VAL A 59 4.208 21.887 -4.196 1.00 0.00 C ATOM 907 C VAL A 59 3.999 20.638 -5.055 1.00 0.00 C ATOM 908 O VAL A 59 4.965 20.086 -5.579 1.00 0.00 O ATOM 909 CB VAL A 59 4.609 21.486 -2.755 1.00 0.00 C ATOM 910 CG1 VAL A 59 4.514 22.658 -1.764 1.00 0.00 C ATOM 911 CG2 VAL A 59 3.789 20.335 -2.161 1.00 0.00 C ATOM 0 H VAL A 59 2.639 22.955 -3.302 1.00 0.00 H new ATOM 0 HA VAL A 59 5.031 22.451 -4.635 1.00 0.00 H new ATOM 0 HB VAL A 59 5.642 21.160 -2.877 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.807 22.319 -0.770 1.00 0.00 H new ATOM 0 HG12 VAL A 59 5.179 23.460 -2.084 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.489 23.027 -1.734 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.139 20.123 -1.151 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.737 20.617 -2.129 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.908 19.446 -2.781 1.00 0.00 H new ATOM 921 N CYS A 60 2.747 20.193 -5.216 1.00 0.00 N ATOM 922 CA CYS A 60 2.421 18.950 -5.917 1.00 0.00 C ATOM 923 C CYS A 60 2.386 19.128 -7.443 1.00 0.00 C ATOM 924 O CYS A 60 2.388 18.149 -8.195 1.00 0.00 O ATOM 925 CB CYS A 60 1.091 18.407 -5.382 1.00 0.00 C ATOM 926 SG CYS A 60 1.109 16.598 -5.411 1.00 0.00 S ATOM 0 H CYS A 60 1.929 20.689 -4.861 1.00 0.00 H new ATOM 0 HA CYS A 60 3.212 18.226 -5.721 1.00 0.00 H new ATOM 0 HB2 CYS A 60 0.926 18.762 -4.365 1.00 0.00 H new ATOM 0 HB3 CYS A 60 0.265 18.781 -5.987 1.00 0.00 H new ATOM 0 HG CYS A 60 0.206 16.142 -4.595 1.00 0.00 H new ATOM 932 N LYS A 61 2.367 20.380 -7.927 1.00 0.00 N ATOM 933 CA LYS A 61 2.502 20.670 -9.368 1.00 0.00 C ATOM 934 C LYS A 61 3.868 20.235 -9.912 1.00 0.00 C ATOM 935 O LYS A 61 3.936 19.656 -10.994 1.00 0.00 O ATOM 936 CB LYS A 61 2.187 22.144 -9.660 1.00 0.00 C ATOM 937 CG LYS A 61 0.671 22.393 -9.527 1.00 0.00 C ATOM 938 CD LYS A 61 0.324 23.663 -8.753 1.00 0.00 C ATOM 939 CE LYS A 61 0.803 24.982 -9.377 1.00 0.00 C ATOM 940 NZ LYS A 61 0.169 25.209 -10.703 1.00 0.00 N ATOM 0 H LYS A 61 2.260 21.210 -7.343 1.00 0.00 H new ATOM 0 HA LYS A 61 1.764 20.074 -9.904 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.732 22.785 -8.967 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.520 22.404 -10.665 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.233 22.454 -10.523 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.213 21.538 -9.029 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.759 23.710 -8.638 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.748 23.582 -7.752 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.565 25.811 -8.710 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.887 24.963 -9.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.018 26.224 -10.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.808 24.879 -11.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.727 24.683 -10.754 1.00 0.00 H new ATOM 954 N ASP A 62 4.926 20.405 -9.118 1.00 0.00 N ATOM 955 CA ASP A 62 6.242 19.785 -9.318 1.00 0.00 C ATOM 956 C ASP A 62 6.393 18.526 -8.433 1.00 0.00 C ATOM 957 O ASP A 62 7.221 18.475 -7.520 1.00 0.00 O ATOM 958 CB ASP A 62 7.361 20.817 -9.078 1.00 0.00 C ATOM 959 CG ASP A 62 7.436 21.919 -10.150 1.00 0.00 C ATOM 960 OD1 ASP A 62 7.263 21.625 -11.357 1.00 0.00 O ATOM 961 OD2 ASP A 62 7.741 23.081 -9.789 1.00 0.00 O ATOM 0 H ASP A 62 4.892 20.998 -8.289 1.00 0.00 H new ATOM 0 HA ASP A 62 6.329 19.453 -10.352 1.00 0.00 H new ATOM 0 HB2 ASP A 62 7.210 21.282 -8.104 1.00 0.00 H new ATOM 0 HB3 ASP A 62 8.318 20.297 -9.038 1.00 0.00 H new ATOM 966 N ALA A 63 5.581 17.500 -8.711 1.00 0.00 N ATOM 967 CA ALA A 63 5.655 16.172 -8.094 1.00 0.00 C ATOM 968 C ALA A 63 5.263 15.051 -9.073 1.00 0.00 C ATOM 969 O ALA A 63 4.480 15.267 -10.000 1.00 0.00 O ATOM 970 CB ALA A 63 4.736 16.131 -6.866 1.00 0.00 C ATOM 0 H ALA A 63 4.828 17.575 -9.395 1.00 0.00 H new ATOM 0 HA ALA A 63 6.690 15.999 -7.800 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.789 15.145 -6.405 1.00 0.00 H new ATOM 0 HB2 ALA A 63 5.056 16.885 -6.147 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.710 16.334 -7.173 1.00 0.00 H new ATOM 976 N ILE A 64 5.768 13.840 -8.816 1.00 0.00 N ATOM 977 CA ILE A 64 5.515 12.582 -9.538 1.00 0.00 C ATOM 978 C ILE A 64 5.190 11.485 -8.509 1.00 0.00 C ATOM 979 O ILE A 64 5.704 11.529 -7.389 1.00 0.00 O ATOM 980 CB ILE A 64 6.750 12.204 -10.398 1.00 0.00 C ATOM 981 CG1 ILE A 64 7.192 13.350 -11.340 1.00 0.00 C ATOM 982 CG2 ILE A 64 6.491 10.944 -11.247 1.00 0.00 C ATOM 983 CD1 ILE A 64 8.350 14.181 -10.773 1.00 0.00 C ATOM 0 H ILE A 64 6.414 13.700 -8.039 1.00 0.00 H new ATOM 0 HA ILE A 64 4.668 12.696 -10.215 1.00 0.00 H new ATOM 0 HB ILE A 64 7.550 12.008 -9.684 1.00 0.00 H new ATOM 0 HG12 ILE A 64 7.491 12.929 -12.300 1.00 0.00 H new ATOM 0 HG13 ILE A 64 6.342 14.005 -11.530 1.00 0.00 H new ATOM 0 HG21 ILE A 64 7.379 10.712 -11.835 1.00 0.00 H new ATOM 0 HG22 ILE A 64 6.261 10.104 -10.591 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.650 11.123 -11.916 1.00 0.00 H new ATOM 0 HD11 ILE A 64 8.613 14.968 -11.480 1.00 0.00 H new ATOM 0 HD12 ILE A 64 8.047 14.630 -9.827 1.00 0.00 H new ATOM 0 HD13 ILE A 64 9.214 13.537 -10.609 1.00 0.00 H new ATOM 995 N LEU A 65 4.376 10.492 -8.883 1.00 0.00 N ATOM 996 CA LEU A 65 3.909 9.397 -8.021 1.00 0.00 C ATOM 997 C LEU A 65 4.260 8.025 -8.621 1.00 0.00 C ATOM 998 O LEU A 65 4.050 7.777 -9.808 1.00 0.00 O ATOM 999 CB LEU A 65 2.411 9.633 -7.746 1.00 0.00 C ATOM 1000 CG LEU A 65 1.670 8.609 -6.863 1.00 0.00 C ATOM 1001 CD1 LEU A 65 0.488 9.292 -6.179 1.00 0.00 C ATOM 1002 CD2 LEU A 65 1.138 7.409 -7.641 1.00 0.00 C ATOM 0 H LEU A 65 4.009 10.425 -9.832 1.00 0.00 H new ATOM 0 HA LEU A 65 4.422 9.390 -7.059 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.307 10.613 -7.281 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.898 9.680 -8.707 1.00 0.00 H new ATOM 0 HG LEU A 65 2.399 8.240 -6.142 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.038 8.570 -5.554 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.850 10.112 -5.559 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.194 9.682 -6.935 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.628 6.729 -6.958 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.437 7.751 -8.403 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.968 6.888 -8.119 1.00 0.00 H new ATOM 1014 N ASP A 66 4.821 7.142 -7.790 1.00 0.00 N ATOM 1015 CA ASP A 66 5.492 5.893 -8.169 1.00 0.00 C ATOM 1016 C ASP A 66 4.869 4.680 -7.453 1.00 0.00 C ATOM 1017 O ASP A 66 5.005 4.525 -6.236 1.00 0.00 O ATOM 1018 CB ASP A 66 6.996 6.029 -7.859 1.00 0.00 C ATOM 1019 CG ASP A 66 7.877 5.384 -8.937 1.00 0.00 C ATOM 1020 OD1 ASP A 66 7.731 4.166 -9.193 1.00 0.00 O ATOM 1021 OD2 ASP A 66 8.713 6.109 -9.530 1.00 0.00 O ATOM 0 H ASP A 66 4.820 7.286 -6.780 1.00 0.00 H new ATOM 0 HA ASP A 66 5.360 5.718 -9.237 1.00 0.00 H new ATOM 0 HB2 ASP A 66 7.251 7.085 -7.769 1.00 0.00 H new ATOM 0 HB3 ASP A 66 7.209 5.566 -6.895 1.00 0.00 H new ATOM 1026 N ILE A 67 4.128 3.842 -8.188 1.00 0.00 N ATOM 1027 CA ILE A 67 3.411 2.687 -7.631 1.00 0.00 C ATOM 1028 C ILE A 67 4.294 1.431 -7.609 1.00 0.00 C ATOM 1029 O ILE A 67 4.596 0.842 -8.650 1.00 0.00 O ATOM 1030 CB ILE A 67 2.076 2.419 -8.358 1.00 0.00 C ATOM 1031 CG1 ILE A 67 1.161 3.665 -8.406 1.00 0.00 C ATOM 1032 CG2 ILE A 67 1.341 1.293 -7.608 1.00 0.00 C ATOM 1033 CD1 ILE A 67 1.326 4.500 -9.684 1.00 0.00 C ATOM 0 H ILE A 67 4.008 3.947 -9.195 1.00 0.00 H new ATOM 0 HA ILE A 67 3.166 2.941 -6.600 1.00 0.00 H new ATOM 0 HB ILE A 67 2.303 2.144 -9.388 1.00 0.00 H new ATOM 0 HG12 ILE A 67 0.122 3.346 -8.322 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.372 4.294 -7.541 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.393 1.085 -8.103 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.956 0.393 -7.609 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.153 1.603 -6.580 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.653 5.357 -9.648 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.356 4.850 -9.760 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.086 3.887 -10.553 1.00 0.00 H new ATOM 1045 N VAL A 68 4.674 0.996 -6.408 1.00 0.00 N ATOM 1046 CA VAL A 68 5.245 -0.325 -6.107 1.00 0.00 C ATOM 1047 C VAL A 68 4.128 -1.374 -6.030 1.00 0.00 C ATOM 1048 O VAL A 68 3.139 -1.190 -5.319 1.00 0.00 O ATOM 1049 CB VAL A 68 6.019 -0.282 -4.773 1.00 0.00 C ATOM 1050 CG1 VAL A 68 6.608 -1.647 -4.395 1.00 0.00 C ATOM 1051 CG2 VAL A 68 7.186 0.711 -4.863 1.00 0.00 C ATOM 0 H VAL A 68 4.590 1.580 -5.576 1.00 0.00 H new ATOM 0 HA VAL A 68 5.936 -0.598 -6.905 1.00 0.00 H new ATOM 0 HB VAL A 68 5.298 0.022 -4.014 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.143 -1.563 -3.449 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.803 -2.375 -4.294 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.297 -1.974 -5.173 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.722 0.730 -3.914 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.866 0.403 -5.658 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.800 1.707 -5.081 1.00 0.00 H new ATOM 1061 N ASP A 69 4.295 -2.484 -6.751 1.00 0.00 N ATOM 1062 CA ASP A 69 3.447 -3.681 -6.655 1.00 0.00 C ATOM 1063 C ASP A 69 3.804 -4.507 -5.401 1.00 0.00 C ATOM 1064 O ASP A 69 4.813 -5.217 -5.368 1.00 0.00 O ATOM 1065 CB ASP A 69 3.574 -4.531 -7.928 1.00 0.00 C ATOM 1066 CG ASP A 69 2.945 -3.838 -9.144 1.00 0.00 C ATOM 1067 OD1 ASP A 69 1.696 -3.748 -9.213 1.00 0.00 O ATOM 1068 OD2 ASP A 69 3.684 -3.385 -10.048 1.00 0.00 O ATOM 0 H ASP A 69 5.043 -2.581 -7.437 1.00 0.00 H new ATOM 0 HA ASP A 69 2.409 -3.361 -6.560 1.00 0.00 H new ATOM 0 HB2 ASP A 69 4.627 -4.730 -8.128 1.00 0.00 H new ATOM 0 HB3 ASP A 69 3.092 -5.496 -7.770 1.00 0.00 H new ATOM 1073 N GLU A 70 3.001 -4.385 -4.344 1.00 0.00 N ATOM 1074 CA GLU A 70 3.202 -5.060 -3.054 1.00 0.00 C ATOM 1075 C GLU A 70 2.691 -6.512 -3.071 1.00 0.00 C ATOM 1076 O GLU A 70 1.645 -6.821 -3.649 1.00 0.00 O ATOM 1077 CB GLU A 70 2.500 -4.266 -1.936 1.00 0.00 C ATOM 1078 CG GLU A 70 3.246 -2.987 -1.532 1.00 0.00 C ATOM 1079 CD GLU A 70 4.474 -3.305 -0.657 1.00 0.00 C ATOM 1080 OE1 GLU A 70 5.572 -3.554 -1.207 1.00 0.00 O ATOM 1081 OE2 GLU A 70 4.337 -3.325 0.591 1.00 0.00 O ATOM 0 H GLU A 70 2.167 -3.797 -4.358 1.00 0.00 H new ATOM 0 HA GLU A 70 4.275 -5.096 -2.865 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.495 -4.002 -2.265 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.391 -4.906 -1.060 1.00 0.00 H new ATOM 0 HG2 GLU A 70 3.564 -2.451 -2.427 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.571 -2.327 -0.988 1.00 0.00 H new ATOM 1088 N LYS A 71 3.419 -7.414 -2.404 1.00 0.00 N ATOM 1089 CA LYS A 71 3.088 -8.838 -2.270 1.00 0.00 C ATOM 1090 C LYS A 71 1.917 -9.076 -1.314 1.00 0.00 C ATOM 1091 O LYS A 71 1.552 -8.209 -0.514 1.00 0.00 O ATOM 1092 CB LYS A 71 4.360 -9.595 -1.835 1.00 0.00 C ATOM 1093 CG LYS A 71 5.204 -10.064 -3.031 1.00 0.00 C ATOM 1094 CD LYS A 71 5.563 -8.983 -4.067 1.00 0.00 C ATOM 1095 CE LYS A 71 6.365 -9.533 -5.254 1.00 0.00 C ATOM 1096 NZ LYS A 71 5.575 -10.505 -6.055 1.00 0.00 N ATOM 0 H LYS A 71 4.285 -7.165 -1.926 1.00 0.00 H new ATOM 0 HA LYS A 71 2.752 -9.221 -3.234 1.00 0.00 H new ATOM 0 HB2 LYS A 71 4.964 -8.948 -1.199 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.077 -10.459 -1.233 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.129 -10.496 -2.650 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.665 -10.863 -3.540 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.646 -8.523 -4.437 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.139 -8.197 -3.579 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.680 -8.708 -5.893 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.271 -10.016 -4.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 6.003 -10.608 -6.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 5.569 -11.427 -5.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 4.599 -10.161 -6.154 1.00 0.00 H new ATOM 1110 N VAL A 72 1.338 -10.271 -1.406 1.00 0.00 N ATOM 1111 CA VAL A 72 0.067 -10.655 -0.773 1.00 0.00 C ATOM 1112 C VAL A 72 0.239 -11.950 0.029 1.00 0.00 C ATOM 1113 O VAL A 72 0.924 -12.870 -0.419 1.00 0.00 O ATOM 1114 CB VAL A 72 -1.027 -10.816 -1.849 1.00 0.00 C ATOM 1115 CG1 VAL A 72 -2.396 -11.180 -1.265 1.00 0.00 C ATOM 1116 CG2 VAL A 72 -1.225 -9.535 -2.674 1.00 0.00 C ATOM 0 H VAL A 72 1.753 -11.032 -1.943 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.238 -9.869 -0.082 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.663 -11.629 -2.478 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.121 -11.279 -2.073 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.322 -12.124 -0.726 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -2.720 -10.396 -0.580 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -2.005 -9.698 -3.418 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.518 -8.719 -2.014 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.292 -9.278 -3.176 1.00 0.00 H new ATOM 1126 N GLU A 73 -0.394 -12.035 1.202 1.00 0.00 N ATOM 1127 CA GLU A 73 -0.207 -13.126 2.178 1.00 0.00 C ATOM 1128 C GLU A 73 -1.546 -13.663 2.717 1.00 0.00 C ATOM 1129 O GLU A 73 -2.409 -12.881 3.124 1.00 0.00 O ATOM 1130 CB GLU A 73 0.649 -12.605 3.346 1.00 0.00 C ATOM 1131 CG GLU A 73 1.415 -13.712 4.087 1.00 0.00 C ATOM 1132 CD GLU A 73 2.775 -14.061 3.447 1.00 0.00 C ATOM 1133 OE1 GLU A 73 3.064 -13.647 2.302 1.00 0.00 O ATOM 1134 OE2 GLU A 73 3.579 -14.780 4.088 1.00 0.00 O ATOM 0 H GLU A 73 -1.067 -11.334 1.512 1.00 0.00 H new ATOM 0 HA GLU A 73 0.291 -13.952 1.671 1.00 0.00 H new ATOM 0 HB2 GLU A 73 1.362 -11.873 2.965 1.00 0.00 H new ATOM 0 HB3 GLU A 73 0.005 -12.084 4.054 1.00 0.00 H new ATOM 0 HG2 GLU A 73 1.578 -13.400 5.119 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.798 -14.610 4.119 1.00 0.00 H new ATOM 1141 N LEU A 74 -1.701 -14.991 2.770 1.00 0.00 N ATOM 1142 CA LEU A 74 -2.896 -15.703 3.246 1.00 0.00 C ATOM 1143 C LEU A 74 -2.635 -16.432 4.563 1.00 0.00 C ATOM 1144 O LEU A 74 -2.015 -17.492 4.606 1.00 0.00 O ATOM 1145 CB LEU A 74 -3.404 -16.678 2.165 1.00 0.00 C ATOM 1146 CG LEU A 74 -4.060 -16.022 0.941 1.00 0.00 C ATOM 1147 CD1 LEU A 74 -4.450 -17.109 -0.060 1.00 0.00 C ATOM 1148 CD2 LEU A 74 -5.329 -15.250 1.303 1.00 0.00 C ATOM 0 H LEU A 74 -0.964 -15.629 2.469 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.672 -14.962 3.439 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.565 -17.285 1.825 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.124 -17.357 2.622 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.335 -15.324 0.523 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.917 -16.650 -0.932 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.559 -17.655 -0.370 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -5.153 -17.798 0.407 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.754 -14.806 0.403 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.054 -15.931 1.749 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -5.085 -14.462 2.016 1.00 0.00 H new ATOM 1160 N GLU A 75 -3.113 -15.832 5.646 1.00 0.00 N ATOM 1161 CA GLU A 75 -3.143 -16.364 7.002 1.00 0.00 C ATOM 1162 C GLU A 75 -4.407 -17.193 7.266 1.00 0.00 C ATOM 1163 O GLU A 75 -5.483 -16.892 6.750 1.00 0.00 O ATOM 1164 CB GLU A 75 -3.064 -15.151 7.936 1.00 0.00 C ATOM 1165 CG GLU A 75 -3.441 -15.428 9.385 1.00 0.00 C ATOM 1166 CD GLU A 75 -3.110 -14.235 10.302 1.00 0.00 C ATOM 1167 OE1 GLU A 75 -3.929 -13.288 10.394 1.00 0.00 O ATOM 1168 OE2 GLU A 75 -2.037 -14.247 10.953 1.00 0.00 O ATOM 0 H GLU A 75 -3.517 -14.897 5.596 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.310 -17.047 7.168 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.048 -14.757 7.910 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -3.719 -14.370 7.549 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.507 -15.649 9.447 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -2.911 -16.314 9.735 1.00 0.00 H new ATOM 1175 N CYS A 76 -4.287 -18.212 8.117 1.00 0.00 N ATOM 1176 CA CYS A 76 -5.401 -19.025 8.587 1.00 0.00 C ATOM 1177 C CYS A 76 -6.135 -18.410 9.800 1.00 0.00 C ATOM 1178 O CYS A 76 -5.557 -17.691 10.619 1.00 0.00 O ATOM 1179 CB CYS A 76 -4.795 -20.371 8.950 1.00 0.00 C ATOM 1180 SG CYS A 76 -6.052 -21.682 8.840 1.00 0.00 S ATOM 0 H CYS A 76 -3.389 -18.499 8.506 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.163 -19.103 7.811 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -3.966 -20.596 8.280 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -4.387 -20.333 9.960 1.00 0.00 H new ATOM 0 HG CYS A 76 -5.525 -22.744 8.307 1.00 0.00 H new ATOM 1185 N LYS A 77 -7.420 -18.754 9.934 1.00 0.00 N ATOM 1186 CA LYS A 77 -8.350 -18.289 10.982 1.00 0.00 C ATOM 1187 C LYS A 77 -7.949 -18.680 12.410 1.00 0.00 C ATOM 1188 O LYS A 77 -7.760 -17.811 13.260 1.00 0.00 O ATOM 1189 CB LYS A 77 -9.771 -18.794 10.661 1.00 0.00 C ATOM 1190 CG LYS A 77 -10.442 -18.018 9.517 1.00 0.00 C ATOM 1191 CD LYS A 77 -10.855 -16.584 9.883 1.00 0.00 C ATOM 1192 CE LYS A 77 -11.984 -16.540 10.909 1.00 0.00 C ATOM 1193 NZ LYS A 77 -12.455 -15.151 11.156 1.00 0.00 N ATOM 0 H LYS A 77 -7.868 -19.398 9.283 1.00 0.00 H new ATOM 0 HA LYS A 77 -8.313 -17.200 10.966 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -9.724 -19.850 10.397 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -10.389 -18.717 11.556 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -9.759 -17.982 8.669 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -11.326 -18.566 9.191 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -9.990 -16.051 10.277 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -11.169 -16.059 8.981 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -12.817 -17.149 10.558 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -11.641 -16.979 11.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -13.222 -15.164 11.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -11.666 -14.576 11.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -12.807 -14.740 10.267 1.00 0.00 H new ATOM 1207 N ASP A 78 -7.873 -19.982 12.682 1.00 0.00 N ATOM 1208 CA ASP A 78 -7.700 -20.573 14.022 1.00 0.00 C ATOM 1209 C ASP A 78 -6.554 -21.606 14.031 1.00 0.00 C ATOM 1210 O ASP A 78 -6.740 -22.796 14.305 1.00 0.00 O ATOM 1211 CB ASP A 78 -9.053 -21.131 14.501 1.00 0.00 C ATOM 1212 CG ASP A 78 -9.014 -21.641 15.955 1.00 0.00 C ATOM 1213 OD1 ASP A 78 -8.364 -20.997 16.815 1.00 0.00 O ATOM 1214 OD2 ASP A 78 -9.678 -22.663 16.257 1.00 0.00 O ATOM 0 H ASP A 78 -7.932 -20.689 11.949 1.00 0.00 H new ATOM 0 HA ASP A 78 -7.394 -19.810 14.738 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -9.811 -20.353 14.415 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -9.357 -21.946 13.844 1.00 0.00 H new ATOM 1219 N CYS A 79 -5.366 -21.123 13.660 1.00 0.00 N ATOM 1220 CA CYS A 79 -4.182 -21.895 13.279 1.00 0.00 C ATOM 1221 C CYS A 79 -2.882 -21.231 13.793 1.00 0.00 C ATOM 1222 O CYS A 79 -2.898 -20.439 14.742 1.00 0.00 O ATOM 1223 CB CYS A 79 -4.223 -21.990 11.747 1.00 0.00 C ATOM 1224 SG CYS A 79 -3.986 -23.664 11.092 1.00 0.00 S ATOM 0 H CYS A 79 -5.195 -20.118 13.615 1.00 0.00 H new ATOM 0 HA CYS A 79 -4.187 -22.888 13.729 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -5.183 -21.609 11.397 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -3.452 -21.339 11.334 1.00 0.00 H new ATOM 0 HG CYS A 79 -5.077 -24.059 10.505 1.00 0.00 H new ATOM 1229 N SER A 80 -1.750 -21.553 13.157 1.00 0.00 N ATOM 1230 CA SER A 80 -0.434 -20.938 13.414 1.00 0.00 C ATOM 1231 C SER A 80 0.447 -20.916 12.147 1.00 0.00 C ATOM 1232 O SER A 80 1.651 -21.182 12.187 1.00 0.00 O ATOM 1233 CB SER A 80 0.245 -21.645 14.600 1.00 0.00 C ATOM 1234 OG SER A 80 1.219 -20.804 15.203 1.00 0.00 O ATOM 0 H SER A 80 -1.718 -22.267 12.429 1.00 0.00 H new ATOM 0 HA SER A 80 -0.580 -19.893 13.686 1.00 0.00 H new ATOM 0 HB2 SER A 80 -0.506 -21.926 15.339 1.00 0.00 H new ATOM 0 HB3 SER A 80 0.716 -22.566 14.258 1.00 0.00 H new ATOM 0 HG SER A 80 1.636 -21.274 15.955 1.00 0.00 H new ATOM 1240 N HIS A 81 -0.173 -20.672 10.986 1.00 0.00 N ATOM 1241 CA HIS A 81 0.452 -20.769 9.664 1.00 0.00 C ATOM 1242 C HIS A 81 -0.133 -19.757 8.656 1.00 0.00 C ATOM 1243 O HIS A 81 -1.326 -19.434 8.702 1.00 0.00 O ATOM 1244 CB HIS A 81 0.272 -22.214 9.170 1.00 0.00 C ATOM 1245 CG HIS A 81 0.828 -22.447 7.792 1.00 0.00 C ATOM 1246 ND1 HIS A 81 2.162 -22.478 7.449 1.00 0.00 N ATOM 1247 CD2 HIS A 81 0.094 -22.572 6.644 1.00 0.00 C ATOM 1248 CE1 HIS A 81 2.235 -22.610 6.114 1.00 0.00 C ATOM 1249 NE2 HIS A 81 1.001 -22.669 5.585 1.00 0.00 N ATOM 0 H HIS A 81 -1.153 -20.393 10.941 1.00 0.00 H new ATOM 0 HA HIS A 81 1.510 -20.519 9.747 1.00 0.00 H new ATOM 0 HB2 HIS A 81 0.759 -22.893 9.870 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -0.790 -22.461 9.172 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -0.983 -22.592 6.570 1.00 0.00 H new ATOM 0 HE1 HIS A 81 3.153 -22.661 5.548 1.00 0.00 H new ATOM 0 HE2 HIS A 81 0.770 -22.766 4.596 1.00 0.00 H new ATOM 1257 N VAL A 82 0.704 -19.284 7.721 1.00 0.00 N ATOM 1258 CA VAL A 82 0.342 -18.441 6.571 1.00 0.00 C ATOM 1259 C VAL A 82 1.120 -18.873 5.310 1.00 0.00 C ATOM 1260 O VAL A 82 2.231 -19.397 5.423 1.00 0.00 O ATOM 1261 CB VAL A 82 0.543 -16.933 6.880 1.00 0.00 C ATOM 1262 CG1 VAL A 82 0.252 -16.521 8.335 1.00 0.00 C ATOM 1263 CG2 VAL A 82 1.937 -16.389 6.568 1.00 0.00 C ATOM 0 H VAL A 82 1.703 -19.489 7.747 1.00 0.00 H new ATOM 0 HA VAL A 82 -0.720 -18.584 6.373 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.196 -16.500 6.206 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.421 -15.450 8.451 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.785 -16.753 8.578 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.914 -17.067 9.007 1.00 0.00 H new ATOM 0 HG21 VAL A 82 1.978 -15.329 6.817 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.679 -16.929 7.157 1.00 0.00 H new ATOM 0 HG23 VAL A 82 2.150 -16.521 5.507 1.00 0.00 H new ATOM 1273 N PHE A 83 0.585 -18.621 4.108 1.00 0.00 N ATOM 1274 CA PHE A 83 1.197 -18.991 2.817 1.00 0.00 C ATOM 1275 C PHE A 83 0.953 -17.962 1.683 1.00 0.00 C ATOM 1276 O PHE A 83 0.302 -16.932 1.879 1.00 0.00 O ATOM 1277 CB PHE A 83 0.753 -20.421 2.440 1.00 0.00 C ATOM 1278 CG PHE A 83 -0.744 -20.627 2.283 1.00 0.00 C ATOM 1279 CD1 PHE A 83 -1.399 -20.180 1.122 1.00 0.00 C ATOM 1280 CD2 PHE A 83 -1.487 -21.276 3.286 1.00 0.00 C ATOM 1281 CE1 PHE A 83 -2.781 -20.357 0.961 1.00 0.00 C ATOM 1282 CE2 PHE A 83 -2.875 -21.427 3.140 1.00 0.00 C ATOM 1283 CZ PHE A 83 -3.524 -20.983 1.974 1.00 0.00 C ATOM 0 H PHE A 83 -0.309 -18.142 4.000 1.00 0.00 H new ATOM 0 HA PHE A 83 2.279 -18.976 2.944 1.00 0.00 H new ATOM 0 HB2 PHE A 83 1.239 -20.698 1.504 1.00 0.00 H new ATOM 0 HB3 PHE A 83 1.117 -21.108 3.204 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -0.830 -19.694 0.343 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -0.991 -21.657 4.166 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -3.271 -20.013 0.062 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -3.449 -21.888 3.930 1.00 0.00 H new ATOM 0 HZ PHE A 83 -4.589 -21.123 1.859 1.00 0.00 H new ATOM 1293 N LYS A 84 1.517 -18.225 0.491 1.00 0.00 N ATOM 1294 CA LYS A 84 1.399 -17.416 -0.745 1.00 0.00 C ATOM 1295 C LYS A 84 0.159 -17.833 -1.568 1.00 0.00 C ATOM 1296 O LYS A 84 -0.010 -19.032 -1.801 1.00 0.00 O ATOM 1297 CB LYS A 84 2.638 -17.627 -1.646 1.00 0.00 C ATOM 1298 CG LYS A 84 3.897 -16.799 -1.339 1.00 0.00 C ATOM 1299 CD LYS A 84 4.636 -17.140 -0.036 1.00 0.00 C ATOM 1300 CE LYS A 84 4.138 -16.269 1.119 1.00 0.00 C ATOM 1301 NZ LYS A 84 4.929 -16.473 2.359 1.00 0.00 N ATOM 0 H LYS A 84 2.099 -19.051 0.352 1.00 0.00 H new ATOM 0 HA LYS A 84 1.313 -16.374 -0.437 1.00 0.00 H new ATOM 0 HB2 LYS A 84 2.911 -18.681 -1.599 1.00 0.00 H new ATOM 0 HB3 LYS A 84 2.343 -17.420 -2.675 1.00 0.00 H new ATOM 0 HG2 LYS A 84 4.594 -16.917 -2.168 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.615 -15.747 -1.307 1.00 0.00 H new ATOM 0 HD2 LYS A 84 4.487 -18.192 0.206 1.00 0.00 H new ATOM 0 HD3 LYS A 84 5.707 -16.993 -0.172 1.00 0.00 H new ATOM 0 HE2 LYS A 84 4.187 -15.220 0.828 1.00 0.00 H new ATOM 0 HE3 LYS A 84 3.090 -16.496 1.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.600 -15.814 3.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 4.807 -17.451 2.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 5.935 -16.297 2.162 1.00 0.00 H new ATOM 1315 N PRO A 85 -0.671 -16.902 -2.077 1.00 0.00 N ATOM 1316 CA PRO A 85 -1.820 -17.235 -2.927 1.00 0.00 C ATOM 1317 C PRO A 85 -1.390 -17.873 -4.262 1.00 0.00 C ATOM 1318 O PRO A 85 -0.673 -17.255 -5.053 1.00 0.00 O ATOM 1319 CB PRO A 85 -2.580 -15.917 -3.123 1.00 0.00 C ATOM 1320 CG PRO A 85 -1.514 -14.840 -2.935 1.00 0.00 C ATOM 1321 CD PRO A 85 -0.564 -15.458 -1.910 1.00 0.00 C ATOM 0 HA PRO A 85 -2.455 -17.989 -2.462 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -3.032 -15.861 -4.113 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -3.387 -15.810 -2.398 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -1.003 -14.613 -3.871 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -1.945 -13.907 -2.572 1.00 0.00 H new ATOM 0 HD2 PRO A 85 0.460 -15.122 -2.075 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -0.837 -15.162 -0.897 1.00 0.00 H new ATOM 1329 N ASN A 86 -1.810 -19.121 -4.507 1.00 0.00 N ATOM 1330 CA ASN A 86 -1.496 -19.885 -5.723 1.00 0.00 C ATOM 1331 C ASN A 86 -2.672 -20.784 -6.169 1.00 0.00 C ATOM 1332 O ASN A 86 -3.375 -20.448 -7.125 1.00 0.00 O ATOM 1333 CB ASN A 86 -0.181 -20.657 -5.493 1.00 0.00 C ATOM 1334 CG ASN A 86 0.266 -21.412 -6.734 1.00 0.00 C ATOM 1335 OD1 ASN A 86 -0.032 -22.583 -6.921 1.00 0.00 O ATOM 1336 ND2 ASN A 86 0.980 -20.768 -7.630 1.00 0.00 N ATOM 0 H ASN A 86 -2.392 -19.641 -3.850 1.00 0.00 H new ATOM 0 HA ASN A 86 -1.348 -19.201 -6.559 1.00 0.00 H new ATOM 0 HB2 ASN A 86 0.601 -19.959 -5.193 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -0.313 -21.360 -4.670 1.00 0.00 H new ATOM 0 HD21 ASN A 86 1.284 -21.245 -8.479 1.00 0.00 H new ATOM 0 HD22 ASN A 86 1.230 -19.791 -7.477 1.00 0.00 H new ATOM 1405 N GLY A 91 -6.303 -25.362 -2.634 1.00 0.00 N ATOM 1406 CA GLY A 91 -5.731 -24.169 -1.984 1.00 0.00 C ATOM 1407 C GLY A 91 -6.012 -24.088 -0.480 1.00 0.00 C ATOM 1408 O GLY A 91 -6.201 -23.003 0.074 1.00 0.00 O ATOM 0 HA2 GLY A 91 -4.653 -24.162 -2.143 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -6.130 -23.277 -2.467 1.00 0.00 H new ATOM 1412 N VAL A 92 -6.102 -25.249 0.168 1.00 0.00 N ATOM 1413 CA VAL A 92 -6.307 -25.435 1.611 1.00 0.00 C ATOM 1414 C VAL A 92 -5.092 -24.992 2.445 1.00 0.00 C ATOM 1415 O VAL A 92 -3.974 -24.900 1.930 1.00 0.00 O ATOM 1416 CB VAL A 92 -6.629 -26.911 1.917 1.00 0.00 C ATOM 1417 CG1 VAL A 92 -8.015 -27.308 1.400 1.00 0.00 C ATOM 1418 CG2 VAL A 92 -5.621 -27.889 1.300 1.00 0.00 C ATOM 0 H VAL A 92 -6.030 -26.139 -0.325 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.148 -24.801 1.893 1.00 0.00 H new ATOM 0 HB VAL A 92 -6.584 -26.981 3.004 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -8.205 -28.355 1.635 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -8.773 -26.686 1.876 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -8.055 -27.165 0.320 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -5.904 -28.911 1.552 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -5.616 -27.771 0.216 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -4.625 -27.681 1.692 1.00 0.00 H new ATOM 1428 N CYS A 93 -5.297 -24.766 3.749 1.00 0.00 N ATOM 1429 CA CYS A 93 -4.218 -24.563 4.717 1.00 0.00 C ATOM 1430 C CYS A 93 -3.362 -25.836 4.880 1.00 0.00 C ATOM 1431 O CYS A 93 -3.856 -26.970 4.838 1.00 0.00 O ATOM 1432 CB CYS A 93 -4.810 -23.947 6.003 1.00 0.00 C ATOM 1433 SG CYS A 93 -3.802 -24.214 7.499 1.00 0.00 S ATOM 0 H CYS A 93 -6.228 -24.719 4.163 1.00 0.00 H new ATOM 0 HA CYS A 93 -3.489 -23.835 4.360 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -4.938 -22.875 5.852 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -5.802 -24.366 6.169 1.00 0.00 H new ATOM 0 HG CYS A 93 -3.591 -23.075 8.089 1.00 0.00 H new ATOM 1438 N GLU A 94 -2.044 -25.640 4.993 1.00 0.00 N ATOM 1439 CA GLU A 94 -1.052 -26.719 5.069 1.00 0.00 C ATOM 1440 C GLU A 94 -1.267 -27.609 6.299 1.00 0.00 C ATOM 1441 O GLU A 94 -1.133 -28.834 6.227 1.00 0.00 O ATOM 1442 CB GLU A 94 0.369 -26.144 5.133 1.00 0.00 C ATOM 1443 CG GLU A 94 0.828 -25.487 3.829 1.00 0.00 C ATOM 1444 CD GLU A 94 1.169 -26.530 2.748 1.00 0.00 C ATOM 1445 OE1 GLU A 94 2.327 -27.016 2.712 1.00 0.00 O ATOM 1446 OE2 GLU A 94 0.289 -26.876 1.923 1.00 0.00 O ATOM 0 H GLU A 94 -1.629 -24.709 5.035 1.00 0.00 H new ATOM 0 HA GLU A 94 -1.177 -27.321 4.169 1.00 0.00 H new ATOM 0 HB2 GLU A 94 0.418 -25.409 5.936 1.00 0.00 H new ATOM 0 HB3 GLU A 94 1.063 -26.944 5.390 1.00 0.00 H new ATOM 0 HG2 GLU A 94 0.044 -24.826 3.460 1.00 0.00 H new ATOM 0 HG3 GLU A 94 1.703 -24.867 4.024 1.00 0.00 H new ATOM 1453 N LYS A 95 -1.602 -26.976 7.430 1.00 0.00 N ATOM 1454 CA LYS A 95 -1.956 -27.652 8.689 1.00 0.00 C ATOM 1455 C LYS A 95 -3.366 -28.244 8.647 1.00 0.00 C ATOM 1456 O LYS A 95 -3.533 -29.441 8.893 1.00 0.00 O ATOM 1457 CB LYS A 95 -1.855 -26.686 9.872 1.00 0.00 C ATOM 1458 CG LYS A 95 -0.420 -26.205 10.123 1.00 0.00 C ATOM 1459 CD LYS A 95 -0.348 -25.398 11.424 1.00 0.00 C ATOM 1460 CE LYS A 95 -0.481 -26.310 12.657 1.00 0.00 C ATOM 1461 NZ LYS A 95 -0.404 -25.548 13.930 1.00 0.00 N ATOM 0 H LYS A 95 -1.636 -25.959 7.499 1.00 0.00 H new ATOM 0 HA LYS A 95 -1.243 -28.467 8.816 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -2.496 -25.824 9.687 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -2.232 -27.177 10.770 1.00 0.00 H new ATOM 0 HG2 LYS A 95 0.253 -27.061 10.181 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -0.084 -25.591 9.287 1.00 0.00 H new ATOM 0 HD2 LYS A 95 0.599 -24.859 11.468 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -1.141 -24.650 11.435 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -1.431 -26.843 12.612 1.00 0.00 H new ATOM 0 HE3 LYS A 95 0.308 -27.062 12.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -0.498 -26.203 14.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 0.512 -25.060 13.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -1.172 -24.848 13.962 1.00 0.00 H new ATOM 1475 N CYS A 96 -4.364 -27.402 8.371 1.00 0.00 N ATOM 1476 CA CYS A 96 -5.789 -27.718 8.428 1.00 0.00 C ATOM 1477 C CYS A 96 -6.466 -27.604 7.040 1.00 0.00 C ATOM 1478 O CYS A 96 -6.554 -26.547 6.426 1.00 0.00 O ATOM 1479 CB CYS A 96 -6.446 -26.962 9.604 1.00 0.00 C ATOM 1480 SG CYS A 96 -6.778 -25.211 9.345 1.00 0.00 S ATOM 0 H CYS A 96 -4.191 -26.437 8.089 1.00 0.00 H new ATOM 0 HA CYS A 96 -5.942 -28.771 8.663 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -7.387 -27.456 9.845 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -5.801 -27.062 10.477 1.00 0.00 H new ATOM 0 HG CYS A 96 -5.794 -24.676 8.685 1.00 0.00 H new ATOM 1485 N HIS A 97 -6.877 -28.753 6.506 1.00 0.00 N ATOM 1486 CA HIS A 97 -7.393 -29.004 5.153 1.00 0.00 C ATOM 1487 C HIS A 97 -8.743 -28.322 4.802 1.00 0.00 C ATOM 1488 O HIS A 97 -9.714 -28.969 4.400 1.00 0.00 O ATOM 1489 CB HIS A 97 -7.408 -30.525 4.920 1.00 0.00 C ATOM 1490 CG HIS A 97 -8.292 -31.321 5.862 1.00 0.00 C ATOM 1491 ND1 HIS A 97 -8.138 -31.455 7.218 1.00 0.00 N flip ATOM 1492 CD2 HIS A 97 -9.411 -32.041 5.503 1.00 0.00 C flip ATOM 1493 CE1 HIS A 97 -9.180 -32.266 7.684 1.00 0.00 C flip ATOM 1494 NE2 HIS A 97 -9.926 -32.595 6.614 1.00 0.00 N flip ATOM 0 H HIS A 97 -6.857 -29.612 7.056 1.00 0.00 H new ATOM 0 HA HIS A 97 -6.713 -28.517 4.454 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -7.733 -30.715 3.897 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -6.387 -30.898 5.005 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -9.806 -32.142 4.503 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -9.352 -32.569 8.706 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -10.761 -33.180 6.642 1.00 0.00 H new ATOM 1502 N SER A 98 -8.795 -26.994 4.908 1.00 0.00 N ATOM 1503 CA SER A 98 -9.895 -26.105 4.499 1.00 0.00 C ATOM 1504 C SER A 98 -9.361 -24.814 3.861 1.00 0.00 C ATOM 1505 O SER A 98 -8.234 -24.393 4.130 1.00 0.00 O ATOM 1506 CB SER A 98 -10.769 -25.761 5.715 1.00 0.00 C ATOM 1507 OG SER A 98 -11.587 -26.862 6.081 1.00 0.00 O ATOM 0 H SER A 98 -8.018 -26.470 5.309 1.00 0.00 H new ATOM 0 HA SER A 98 -10.494 -26.630 3.755 1.00 0.00 H new ATOM 0 HB2 SER A 98 -10.135 -25.479 6.555 1.00 0.00 H new ATOM 0 HB3 SER A 98 -11.395 -24.899 5.485 1.00 0.00 H new ATOM 0 HG SER A 98 -11.229 -27.682 5.682 1.00 0.00 H new ATOM 1513 N LYS A 99 -10.174 -24.163 3.015 1.00 0.00 N ATOM 1514 CA LYS A 99 -9.865 -22.895 2.310 1.00 0.00 C ATOM 1515 C LYS A 99 -10.244 -21.632 3.113 1.00 0.00 C ATOM 1516 O LYS A 99 -10.430 -20.557 2.546 1.00 0.00 O ATOM 1517 CB LYS A 99 -10.529 -22.892 0.914 1.00 0.00 C ATOM 1518 CG LYS A 99 -9.971 -23.941 -0.064 1.00 0.00 C ATOM 1519 CD LYS A 99 -10.842 -25.199 -0.201 1.00 0.00 C ATOM 1520 CE LYS A 99 -10.294 -26.048 -1.354 1.00 0.00 C ATOM 1521 NZ LYS A 99 -11.077 -27.292 -1.565 1.00 0.00 N ATOM 0 H LYS A 99 -11.105 -24.514 2.789 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.782 -22.852 2.197 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -11.599 -23.060 1.035 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -10.410 -21.903 0.472 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -9.858 -23.482 -1.046 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -8.975 -24.236 0.266 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -10.832 -25.770 0.728 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -11.879 -24.923 -0.394 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -10.301 -25.458 -2.271 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -9.255 -26.307 -1.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -10.667 -27.831 -2.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -11.050 -27.870 -0.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -12.063 -27.048 -1.788 1.00 0.00 H new ATOM 1535 N ASN A 100 -10.390 -21.749 4.436 1.00 0.00 N ATOM 1536 CA ASN A 100 -10.891 -20.706 5.347 1.00 0.00 C ATOM 1537 C ASN A 100 -9.989 -19.458 5.510 1.00 0.00 C ATOM 1538 O ASN A 100 -10.351 -18.544 6.252 1.00 0.00 O ATOM 1539 CB ASN A 100 -11.163 -21.363 6.715 1.00 0.00 C ATOM 1540 CG ASN A 100 -9.888 -21.840 7.394 1.00 0.00 C ATOM 1541 OD1 ASN A 100 -9.514 -22.997 7.294 1.00 0.00 O ATOM 1542 ND2 ASN A 100 -9.181 -20.959 8.064 1.00 0.00 N ATOM 0 H ASN A 100 -10.152 -22.611 4.927 1.00 0.00 H new ATOM 0 HA ASN A 100 -11.798 -20.307 4.893 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -11.671 -20.649 7.363 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -11.838 -22.208 6.581 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -8.307 -21.239 8.509 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -9.506 -19.995 8.139 1.00 0.00 H new ATOM 1549 N VAL A 101 -8.801 -19.435 4.901 1.00 0.00 N ATOM 1550 CA VAL A 101 -7.792 -18.366 5.019 1.00 0.00 C ATOM 1551 C VAL A 101 -8.297 -16.970 4.624 1.00 0.00 C ATOM 1552 O VAL A 101 -9.226 -16.820 3.824 1.00 0.00 O ATOM 1553 CB VAL A 101 -6.533 -18.707 4.197 1.00 0.00 C ATOM 1554 CG1 VAL A 101 -5.835 -19.957 4.738 1.00 0.00 C ATOM 1555 CG2 VAL A 101 -6.815 -18.928 2.704 1.00 0.00 C ATOM 0 H VAL A 101 -8.498 -20.190 4.285 1.00 0.00 H new ATOM 0 HA VAL A 101 -7.552 -18.320 6.081 1.00 0.00 H new ATOM 0 HB VAL A 101 -5.890 -17.833 4.298 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -4.951 -20.170 4.136 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -5.537 -19.788 5.773 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -6.519 -20.805 4.691 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -5.884 -19.164 2.189 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -7.515 -19.755 2.584 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -7.247 -18.023 2.277 1.00 0.00 H new ATOM 1565 N ILE A 102 -7.630 -15.939 5.150 1.00 0.00 N ATOM 1566 CA ILE A 102 -7.865 -14.513 4.877 1.00 0.00 C ATOM 1567 C ILE A 102 -6.563 -13.772 4.535 1.00 0.00 C ATOM 1568 O ILE A 102 -5.467 -14.182 4.922 1.00 0.00 O ATOM 1569 CB ILE A 102 -8.600 -13.816 6.049 1.00 0.00 C ATOM 1570 CG1 ILE A 102 -7.831 -13.803 7.396 1.00 0.00 C ATOM 1571 CG2 ILE A 102 -10.037 -14.347 6.196 1.00 0.00 C ATOM 1572 CD1 ILE A 102 -7.949 -15.054 8.279 1.00 0.00 C ATOM 0 H ILE A 102 -6.869 -16.082 5.814 1.00 0.00 H new ATOM 0 HA ILE A 102 -8.513 -14.468 4.002 1.00 0.00 H new ATOM 0 HB ILE A 102 -8.649 -12.763 5.771 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -6.775 -13.638 7.182 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -8.176 -12.946 7.975 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -10.529 -13.840 7.026 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -10.591 -14.158 5.276 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -10.011 -15.419 6.390 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -7.365 -14.914 9.189 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -8.994 -15.217 8.541 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -7.572 -15.920 7.735 1.00 0.00 H new ATOM 1584 N ILE A 103 -6.683 -12.651 3.822 1.00 0.00 N ATOM 1585 CA ILE A 103 -5.573 -11.797 3.410 1.00 0.00 C ATOM 1586 C ILE A 103 -5.115 -10.974 4.621 1.00 0.00 C ATOM 1587 O ILE A 103 -5.861 -10.117 5.098 1.00 0.00 O ATOM 1588 CB ILE A 103 -5.957 -10.878 2.225 1.00 0.00 C ATOM 1589 CG1 ILE A 103 -6.568 -11.580 0.989 1.00 0.00 C ATOM 1590 CG2 ILE A 103 -4.681 -10.162 1.757 1.00 0.00 C ATOM 1591 CD1 ILE A 103 -8.055 -11.939 1.119 1.00 0.00 C ATOM 0 H ILE A 103 -7.588 -12.303 3.506 1.00 0.00 H new ATOM 0 HA ILE A 103 -4.755 -12.425 3.057 1.00 0.00 H new ATOM 0 HB ILE A 103 -6.734 -10.217 2.609 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -6.440 -10.933 0.121 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -6.005 -12.492 0.792 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -4.919 -9.505 0.920 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -4.273 -9.572 2.578 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -3.945 -10.901 1.440 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -8.393 -12.427 0.205 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -8.194 -12.615 1.963 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -8.636 -11.031 1.282 1.00 0.00 H new ATOM 1603 N THR A 104 -3.901 -11.220 5.120 1.00 0.00 N ATOM 1604 CA THR A 104 -3.307 -10.469 6.249 1.00 0.00 C ATOM 1605 C THR A 104 -2.403 -9.313 5.781 1.00 0.00 C ATOM 1606 O THR A 104 -2.037 -8.430 6.559 1.00 0.00 O ATOM 1607 CB THR A 104 -2.581 -11.437 7.203 1.00 0.00 C ATOM 1608 OG1 THR A 104 -2.170 -10.799 8.393 1.00 0.00 O ATOM 1609 CG2 THR A 104 -1.348 -12.103 6.591 1.00 0.00 C ATOM 0 H THR A 104 -3.291 -11.951 4.754 1.00 0.00 H new ATOM 0 HA THR A 104 -4.118 -9.994 6.801 1.00 0.00 H new ATOM 0 HB THR A 104 -3.326 -12.204 7.413 1.00 0.00 H new ATOM 0 HG1 THR A 104 -2.116 -9.832 8.244 1.00 0.00 H new ATOM 0 HG21 THR A 104 -0.893 -12.769 7.324 1.00 0.00 H new ATOM 0 HG22 THR A 104 -1.643 -12.677 5.713 1.00 0.00 H new ATOM 0 HG23 THR A 104 -0.628 -11.338 6.299 1.00 0.00 H new ATOM 1617 N GLN A 105 -2.068 -9.287 4.487 1.00 0.00 N ATOM 1618 CA GLN A 105 -1.143 -8.354 3.843 1.00 0.00 C ATOM 1619 C GLN A 105 -1.479 -8.325 2.351 1.00 0.00 C ATOM 1620 O GLN A 105 -1.664 -9.378 1.742 1.00 0.00 O ATOM 1621 CB GLN A 105 0.302 -8.829 4.115 1.00 0.00 C ATOM 1622 CG GLN A 105 1.374 -8.403 3.097 1.00 0.00 C ATOM 1623 CD GLN A 105 1.526 -6.890 2.931 1.00 0.00 C ATOM 1624 OE1 GLN A 105 1.481 -6.118 3.877 1.00 0.00 O ATOM 1625 NE2 GLN A 105 1.688 -6.404 1.719 1.00 0.00 N ATOM 0 H GLN A 105 -2.459 -9.956 3.824 1.00 0.00 H new ATOM 0 HA GLN A 105 -1.234 -7.341 4.236 1.00 0.00 H new ATOM 0 HB2 GLN A 105 0.601 -8.463 5.097 1.00 0.00 H new ATOM 0 HB3 GLN A 105 0.298 -9.918 4.169 1.00 0.00 H new ATOM 0 HG2 GLN A 105 2.333 -8.820 3.403 1.00 0.00 H new ATOM 0 HG3 GLN A 105 1.131 -8.839 2.128 1.00 0.00 H new ATOM 0 HE21 GLN A 105 1.728 -7.034 0.918 1.00 0.00 H new ATOM 0 HE22 GLN A 105 1.774 -5.397 1.581 1.00 0.00 H new ATOM 1634 N GLY A 106 -1.557 -7.132 1.763 1.00 0.00 N ATOM 1635 CA GLY A 106 -1.816 -6.938 0.331 1.00 0.00 C ATOM 1636 C GLY A 106 -3.300 -6.850 -0.058 1.00 0.00 C ATOM 1637 O GLY A 106 -3.629 -6.796 -1.244 1.00 0.00 O ATOM 0 H GLY A 106 -1.441 -6.257 2.274 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -1.317 -6.024 0.008 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -1.361 -7.761 -0.219 1.00 0.00 H new ATOM 1641 N ASN A 107 -4.196 -6.833 0.932 1.00 0.00 N ATOM 1642 CA ASN A 107 -5.636 -6.578 0.797 1.00 0.00 C ATOM 1643 C ASN A 107 -5.944 -5.153 0.299 1.00 0.00 C ATOM 1644 O ASN A 107 -6.756 -4.974 -0.609 1.00 0.00 O ATOM 1645 CB ASN A 107 -6.348 -6.880 2.137 1.00 0.00 C ATOM 1646 CG ASN A 107 -5.584 -6.499 3.401 1.00 0.00 C ATOM 1647 OD1 ASN A 107 -4.854 -5.522 3.461 1.00 0.00 O ATOM 1648 ND2 ASN A 107 -5.662 -7.297 4.440 1.00 0.00 N ATOM 0 H ASN A 107 -3.925 -7.005 1.900 1.00 0.00 H new ATOM 0 HA ASN A 107 -6.023 -7.250 0.031 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -7.305 -6.357 2.143 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -6.567 -7.947 2.177 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -5.118 -7.096 5.279 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -6.267 -8.118 4.408 1.00 0.00 H new ATOM 1655 N GLU A 108 -5.289 -4.142 0.872 1.00 0.00 N ATOM 1656 CA GLU A 108 -5.427 -2.722 0.519 1.00 0.00 C ATOM 1657 C GLU A 108 -4.069 -1.998 0.435 1.00 0.00 C ATOM 1658 O GLU A 108 -3.047 -2.476 0.935 1.00 0.00 O ATOM 1659 CB GLU A 108 -6.395 -2.025 1.496 1.00 0.00 C ATOM 1660 CG GLU A 108 -5.973 -2.100 2.972 1.00 0.00 C ATOM 1661 CD GLU A 108 -6.956 -1.323 3.870 1.00 0.00 C ATOM 1662 OE1 GLU A 108 -8.005 -1.890 4.265 1.00 0.00 O ATOM 1663 OE2 GLU A 108 -6.688 -0.142 4.197 1.00 0.00 O ATOM 0 H GLU A 108 -4.619 -4.293 1.626 1.00 0.00 H new ATOM 0 HA GLU A 108 -5.852 -2.668 -0.483 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -6.488 -0.977 1.210 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -7.383 -2.473 1.390 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -5.932 -3.142 3.289 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -4.969 -1.691 3.088 1.00 0.00 H new ATOM 1670 N MET A 109 -4.065 -0.832 -0.219 1.00 0.00 N ATOM 1671 CA MET A 109 -2.875 -0.007 -0.463 1.00 0.00 C ATOM 1672 C MET A 109 -2.419 0.828 0.751 1.00 0.00 C ATOM 1673 O MET A 109 -3.181 1.059 1.694 1.00 0.00 O ATOM 1674 CB MET A 109 -3.135 0.903 -1.675 1.00 0.00 C ATOM 1675 CG MET A 109 -4.346 1.834 -1.520 1.00 0.00 C ATOM 1676 SD MET A 109 -4.487 3.087 -2.823 1.00 0.00 S ATOM 1677 CE MET A 109 -3.296 4.303 -2.205 1.00 0.00 C ATOM 0 H MET A 109 -4.916 -0.423 -0.606 1.00 0.00 H new ATOM 0 HA MET A 109 -2.053 -0.694 -0.662 1.00 0.00 H new ATOM 0 HB2 MET A 109 -2.247 1.509 -1.856 1.00 0.00 H new ATOM 0 HB3 MET A 109 -3.282 0.280 -2.557 1.00 0.00 H new ATOM 0 HG2 MET A 109 -5.255 1.232 -1.510 1.00 0.00 H new ATOM 0 HG3 MET A 109 -4.284 2.335 -0.554 1.00 0.00 H new ATOM 0 HE1 MET A 109 -3.279 5.166 -2.870 1.00 0.00 H new ATOM 0 HE2 MET A 109 -3.588 4.622 -1.204 1.00 0.00 H new ATOM 0 HE3 MET A 109 -2.304 3.854 -2.168 1.00 0.00 H new ATOM 1687 N ARG A 110 -1.180 1.339 0.688 1.00 0.00 N ATOM 1688 CA ARG A 110 -0.557 2.278 1.642 1.00 0.00 C ATOM 1689 C ARG A 110 0.451 3.211 0.959 1.00 0.00 C ATOM 1690 O ARG A 110 0.917 2.918 -0.139 1.00 0.00 O ATOM 1691 CB ARG A 110 0.126 1.482 2.772 1.00 0.00 C ATOM 1692 CG ARG A 110 1.220 0.507 2.283 1.00 0.00 C ATOM 1693 CD ARG A 110 2.090 0.002 3.441 1.00 0.00 C ATOM 1694 NE ARG A 110 2.906 1.099 3.994 1.00 0.00 N ATOM 1695 CZ ARG A 110 3.461 1.208 5.184 1.00 0.00 C ATOM 1696 NH1 ARG A 110 3.406 0.253 6.067 1.00 0.00 N ATOM 1697 NH2 ARG A 110 4.081 2.308 5.498 1.00 0.00 N ATOM 0 H ARG A 110 -0.547 1.096 -0.074 1.00 0.00 H new ATOM 0 HA ARG A 110 -1.343 2.909 2.057 1.00 0.00 H new ATOM 0 HB2 ARG A 110 0.569 2.183 3.480 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -0.633 0.918 3.315 1.00 0.00 H new ATOM 0 HG2 ARG A 110 0.754 -0.341 1.782 1.00 0.00 H new ATOM 0 HG3 ARG A 110 1.849 1.006 1.546 1.00 0.00 H new ATOM 0 HD2 ARG A 110 1.457 -0.417 4.223 1.00 0.00 H new ATOM 0 HD3 ARG A 110 2.739 -0.801 3.092 1.00 0.00 H new ATOM 0 HE ARG A 110 3.063 1.886 3.365 1.00 0.00 H new ATOM 0 HH11 ARG A 110 2.921 -0.617 5.848 1.00 0.00 H new ATOM 0 HH12 ARG A 110 3.848 0.375 6.978 1.00 0.00 H new ATOM 0 HH21 ARG A 110 4.133 3.074 4.826 1.00 0.00 H new ATOM 0 HH22 ARG A 110 4.515 2.405 6.416 1.00 0.00 H new ATOM 1711 N LEU A 111 0.865 4.293 1.622 1.00 0.00 N ATOM 1712 CA LEU A 111 2.055 5.061 1.222 1.00 0.00 C ATOM 1713 C LEU A 111 3.338 4.323 1.651 1.00 0.00 C ATOM 1714 O LEU A 111 3.325 3.542 2.607 1.00 0.00 O ATOM 1715 CB LEU A 111 2.033 6.480 1.827 1.00 0.00 C ATOM 1716 CG LEU A 111 0.998 7.443 1.212 1.00 0.00 C ATOM 1717 CD1 LEU A 111 -0.416 7.219 1.755 1.00 0.00 C ATOM 1718 CD2 LEU A 111 1.397 8.886 1.527 1.00 0.00 C ATOM 0 H LEU A 111 0.391 4.663 2.446 1.00 0.00 H new ATOM 0 HA LEU A 111 2.044 5.154 0.136 1.00 0.00 H new ATOM 0 HB2 LEU A 111 1.838 6.398 2.896 1.00 0.00 H new ATOM 0 HB3 LEU A 111 3.024 6.920 1.716 1.00 0.00 H new ATOM 0 HG LEU A 111 0.988 7.250 0.139 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -1.102 7.925 1.287 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -0.735 6.201 1.531 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -0.420 7.371 2.834 1.00 0.00 H new ATOM 0 HD21 LEU A 111 0.666 9.569 1.093 1.00 0.00 H new ATOM 0 HD22 LEU A 111 1.428 9.027 2.607 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.381 9.092 1.105 1.00 0.00 H new ATOM 1730 N LEU A 112 4.458 4.607 0.982 1.00 0.00 N ATOM 1731 CA LEU A 112 5.785 4.056 1.293 1.00 0.00 C ATOM 1732 C LEU A 112 6.821 5.157 1.576 1.00 0.00 C ATOM 1733 O LEU A 112 7.567 5.050 2.551 1.00 0.00 O ATOM 1734 CB LEU A 112 6.251 3.128 0.154 1.00 0.00 C ATOM 1735 CG LEU A 112 5.408 1.853 -0.042 1.00 0.00 C ATOM 1736 CD1 LEU A 112 5.899 1.106 -1.281 1.00 0.00 C ATOM 1737 CD2 LEU A 112 5.489 0.899 1.151 1.00 0.00 C ATOM 0 H LEU A 112 4.470 5.244 0.186 1.00 0.00 H new ATOM 0 HA LEU A 112 5.697 3.472 2.209 1.00 0.00 H new ATOM 0 HB2 LEU A 112 6.247 3.693 -0.778 1.00 0.00 H new ATOM 0 HB3 LEU A 112 7.283 2.835 0.345 1.00 0.00 H new ATOM 0 HG LEU A 112 4.372 2.174 -0.150 1.00 0.00 H new ATOM 0 HD11 LEU A 112 5.304 0.204 -1.421 1.00 0.00 H new ATOM 0 HD12 LEU A 112 5.798 1.747 -2.156 1.00 0.00 H new ATOM 0 HD13 LEU A 112 6.946 0.833 -1.150 1.00 0.00 H new ATOM 0 HD21 LEU A 112 4.876 0.019 0.956 1.00 0.00 H new ATOM 0 HD22 LEU A 112 6.524 0.593 1.303 1.00 0.00 H new ATOM 0 HD23 LEU A 112 5.125 1.404 2.046 1.00 0.00 H new ATOM 1749 N SER A 113 6.874 6.212 0.753 1.00 0.00 N ATOM 1750 CA SER A 113 7.764 7.371 0.944 1.00 0.00 C ATOM 1751 C SER A 113 7.274 8.620 0.195 1.00 0.00 C ATOM 1752 O SER A 113 6.388 8.542 -0.656 1.00 0.00 O ATOM 1753 CB SER A 113 9.182 7.014 0.471 1.00 0.00 C ATOM 1754 OG SER A 113 10.121 7.953 0.972 1.00 0.00 O ATOM 0 H SER A 113 6.290 6.288 -0.080 1.00 0.00 H new ATOM 0 HA SER A 113 7.764 7.608 2.008 1.00 0.00 H new ATOM 0 HB2 SER A 113 9.444 6.012 0.810 1.00 0.00 H new ATOM 0 HB3 SER A 113 9.217 7.001 -0.618 1.00 0.00 H new ATOM 0 HG SER A 113 11.020 7.713 0.665 1.00 0.00 H new ATOM 1760 N LEU A 114 7.882 9.773 0.477 1.00 0.00 N ATOM 1761 CA LEU A 114 7.813 11.002 -0.317 1.00 0.00 C ATOM 1762 C LEU A 114 9.221 11.615 -0.365 1.00 0.00 C ATOM 1763 O LEU A 114 9.676 12.264 0.580 1.00 0.00 O ATOM 1764 CB LEU A 114 6.802 12.029 0.224 1.00 0.00 C ATOM 1765 CG LEU A 114 5.358 11.551 0.478 1.00 0.00 C ATOM 1766 CD1 LEU A 114 5.159 10.933 1.868 1.00 0.00 C ATOM 1767 CD2 LEU A 114 4.411 12.749 0.408 1.00 0.00 C ATOM 0 H LEU A 114 8.465 9.881 1.307 1.00 0.00 H new ATOM 0 HA LEU A 114 7.458 10.739 -1.314 1.00 0.00 H new ATOM 0 HB2 LEU A 114 7.194 12.423 1.162 1.00 0.00 H new ATOM 0 HB3 LEU A 114 6.761 12.861 -0.479 1.00 0.00 H new ATOM 0 HG LEU A 114 5.154 10.797 -0.282 1.00 0.00 H new ATOM 0 HD11 LEU A 114 4.122 10.618 1.981 1.00 0.00 H new ATOM 0 HD12 LEU A 114 5.815 10.069 1.980 1.00 0.00 H new ATOM 0 HD13 LEU A 114 5.399 11.672 2.632 1.00 0.00 H new ATOM 0 HD21 LEU A 114 3.389 12.416 0.587 1.00 0.00 H new ATOM 0 HD22 LEU A 114 4.692 13.480 1.166 1.00 0.00 H new ATOM 0 HD23 LEU A 114 4.476 13.207 -0.579 1.00 0.00 H new ATOM 1779 N GLU A 115 9.935 11.371 -1.454 1.00 0.00 N ATOM 1780 CA GLU A 115 11.233 11.987 -1.733 1.00 0.00 C ATOM 1781 C GLU A 115 11.010 13.440 -2.162 1.00 0.00 C ATOM 1782 O GLU A 115 10.161 13.718 -3.011 1.00 0.00 O ATOM 1783 CB GLU A 115 12.001 11.212 -2.817 1.00 0.00 C ATOM 1784 CG GLU A 115 12.311 9.770 -2.392 1.00 0.00 C ATOM 1785 CD GLU A 115 13.315 9.106 -3.353 1.00 0.00 C ATOM 1786 OE1 GLU A 115 12.891 8.476 -4.353 1.00 0.00 O ATOM 1787 OE2 GLU A 115 14.544 9.190 -3.101 1.00 0.00 O ATOM 0 H GLU A 115 9.627 10.729 -2.184 1.00 0.00 H new ATOM 0 HA GLU A 115 11.840 11.960 -0.828 1.00 0.00 H new ATOM 0 HB2 GLU A 115 11.415 11.200 -3.736 1.00 0.00 H new ATOM 0 HB3 GLU A 115 12.933 11.731 -3.040 1.00 0.00 H new ATOM 0 HG2 GLU A 115 12.716 9.766 -1.380 1.00 0.00 H new ATOM 0 HG3 GLU A 115 11.389 9.189 -2.368 1.00 0.00 H new ATOM 1794 N MET A 116 11.762 14.371 -1.577 1.00 0.00 N ATOM 1795 CA MET A 116 11.661 15.813 -1.818 1.00 0.00 C ATOM 1796 C MET A 116 13.047 16.466 -1.796 1.00 0.00 C ATOM 1797 O MET A 116 13.886 16.131 -0.958 1.00 0.00 O ATOM 1798 CB MET A 116 10.687 16.454 -0.810 1.00 0.00 C ATOM 1799 CG MET A 116 10.951 16.092 0.658 1.00 0.00 C ATOM 1800 SD MET A 116 9.894 16.940 1.865 1.00 0.00 S ATOM 1801 CE MET A 116 8.256 16.300 1.429 1.00 0.00 C ATOM 0 H MET A 116 12.485 14.135 -0.897 1.00 0.00 H new ATOM 0 HA MET A 116 11.252 15.983 -2.814 1.00 0.00 H new ATOM 0 HB2 MET A 116 10.736 17.538 -0.917 1.00 0.00 H new ATOM 0 HB3 MET A 116 9.671 16.154 -1.067 1.00 0.00 H new ATOM 0 HG2 MET A 116 10.823 15.016 0.779 1.00 0.00 H new ATOM 0 HG3 MET A 116 11.992 16.317 0.889 1.00 0.00 H new ATOM 0 HE1 MET A 116 7.529 16.623 2.174 1.00 0.00 H new ATOM 0 HE2 MET A 116 7.965 16.681 0.450 1.00 0.00 H new ATOM 0 HE3 MET A 116 8.287 15.211 1.400 1.00 0.00 H new ATOM 1811 N LEU A 117 13.298 17.370 -2.749 1.00 0.00 N ATOM 1812 CA LEU A 117 14.588 18.004 -3.014 1.00 0.00 C ATOM 1813 C LEU A 117 15.039 18.941 -1.868 1.00 0.00 C ATOM 1814 O LEU A 117 14.713 20.130 -1.835 1.00 0.00 O ATOM 1815 CB LEU A 117 14.500 18.694 -4.393 1.00 0.00 C ATOM 1816 CG LEU A 117 15.792 18.549 -5.207 1.00 0.00 C ATOM 1817 CD1 LEU A 117 15.620 19.194 -6.583 1.00 0.00 C ATOM 1818 CD2 LEU A 117 17.016 19.175 -4.531 1.00 0.00 C ATOM 0 H LEU A 117 12.570 17.693 -3.386 1.00 0.00 H new ATOM 0 HA LEU A 117 15.376 17.252 -3.049 1.00 0.00 H new ATOM 0 HB2 LEU A 117 13.670 18.268 -4.956 1.00 0.00 H new ATOM 0 HB3 LEU A 117 14.280 19.752 -4.253 1.00 0.00 H new ATOM 0 HG LEU A 117 15.973 17.477 -5.291 1.00 0.00 H new ATOM 0 HD11 LEU A 117 16.543 19.086 -7.153 1.00 0.00 H new ATOM 0 HD12 LEU A 117 14.805 18.704 -7.115 1.00 0.00 H new ATOM 0 HD13 LEU A 117 15.390 20.253 -6.462 1.00 0.00 H new ATOM 0 HD21 LEU A 117 17.893 19.034 -5.163 1.00 0.00 H new ATOM 0 HD22 LEU A 117 16.844 20.241 -4.381 1.00 0.00 H new ATOM 0 HD23 LEU A 117 17.184 18.696 -3.566 1.00 0.00 H new