USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=28 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 136:sc= 0.443 USER MOD Set 1.2: A 79 CYS SG : rot -174:sc= 0.721 USER MOD Set 1.3: A 93 CYS SG : rot 124:sc= 2.12 USER MOD Set 1.4: A 96 CYS SG : rot -37:sc= 0.735 USER MOD Set 1.5: A 100 ASN : amide:sc= -0.207 K(o=3.8,f=2.1) USER MOD Set 2.1: A 80 SER OG : rot 180:sc= 0.678 USER MOD Set 2.2: A 95 LYS NZ :NH3+ 150:sc= 0.766 (180deg=0) 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 180:sc= 0 USER MOD Single : A 11 SER OG : rot 81:sc= 1.03 USER MOD Single : A 16 CYS SG : rot 81:sc= 0.304 USER MOD Single : A 19 HIS : no HD1:sc= -0.0986 X(o=-0.099,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 169:sc= 2.39 (180deg=2.2) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.0264 K(o=-0.026,f=-1.1) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 HIS : no HD1:sc= -0.0685 X(o=-0.069,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot -160:sc= 0 USER MOD Single : A 41 MET CE :methyl -175:sc= -0.0135 (180deg=-0.0732) USER MOD Single : A 43 LYS NZ :NH3+ -158:sc= 1.27 (180deg=1.15) 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 71:sc= 1.21 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot 140:sc= -0.228 USER MOD Single : A 61 LYS NZ :NH3+ 171:sc= 1.08 (180deg=1.02) USER MOD Single : A 71 LYS NZ :NH3+ 162:sc= 1.24 (180deg=1.01) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HD1:sc= -0.0566 X(o=-0.057,f=-0.29) USER MOD Single : A 84 LYS NZ :NH3+ 151:sc= 0.72 (180deg=-0.895!) USER MOD Single : A 86 ASN : amide:sc= -0.0101 X(o=-0.01,f=-0.01) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot 89:sc= 1.21 USER MOD Single : A 105 GLN : amide:sc= 1.71 K(o=1.7,f=-0.011) USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 MET CE :methyl 166:sc= -0.973 (180deg=-1.03) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 MET CE :methyl 167:sc= 0 (180deg=-0.14) USER MOD ----------------------------------------------------------------- ATOM 38 N HIS A 4 -15.448 8.752 -2.308 1.00 0.00 N ATOM 39 CA HIS A 4 -14.417 8.093 -1.493 1.00 0.00 C ATOM 40 C HIS A 4 -13.217 7.580 -2.320 1.00 0.00 C ATOM 41 O HIS A 4 -12.087 7.571 -1.834 1.00 0.00 O ATOM 42 CB HIS A 4 -15.065 6.965 -0.677 1.00 0.00 C ATOM 43 CG HIS A 4 -14.175 6.444 0.427 1.00 0.00 C ATOM 44 ND1 HIS A 4 -14.083 6.964 1.700 1.00 0.00 N ATOM 45 CD2 HIS A 4 -13.308 5.387 0.346 1.00 0.00 C ATOM 46 CE1 HIS A 4 -13.178 6.236 2.378 1.00 0.00 C ATOM 47 NE2 HIS A 4 -12.680 5.262 1.592 1.00 0.00 N ATOM 0 HA HIS A 4 -13.998 8.840 -0.819 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -15.997 7.328 -0.243 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -15.323 6.144 -1.345 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -13.139 4.764 -0.520 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -12.892 6.408 3.405 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -11.980 4.567 1.854 1.00 0.00 H new ATOM 55 N GLU A 5 -13.425 7.243 -3.597 1.00 0.00 N ATOM 56 CA GLU A 5 -12.364 6.903 -4.563 1.00 0.00 C ATOM 57 C GLU A 5 -11.325 8.025 -4.788 1.00 0.00 C ATOM 58 O GLU A 5 -10.184 7.745 -5.161 1.00 0.00 O ATOM 59 CB GLU A 5 -13.002 6.463 -5.894 1.00 0.00 C ATOM 60 CG GLU A 5 -13.727 7.590 -6.649 1.00 0.00 C ATOM 61 CD GLU A 5 -14.501 7.031 -7.860 1.00 0.00 C ATOM 62 OE1 GLU A 5 -13.870 6.684 -8.887 1.00 0.00 O ATOM 63 OE2 GLU A 5 -15.751 6.931 -7.790 1.00 0.00 O ATOM 0 H GLU A 5 -14.360 7.197 -4.003 1.00 0.00 H new ATOM 0 HA GLU A 5 -11.798 6.080 -4.128 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -12.225 6.051 -6.538 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -13.711 5.659 -5.696 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -14.416 8.100 -5.976 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -13.003 8.332 -6.986 1.00 0.00 H new ATOM 70 N TYR A 6 -11.689 9.283 -4.509 1.00 0.00 N ATOM 71 CA TYR A 6 -10.818 10.464 -4.555 1.00 0.00 C ATOM 72 C TYR A 6 -10.369 10.949 -3.165 1.00 0.00 C ATOM 73 O TYR A 6 -9.588 11.898 -3.073 1.00 0.00 O ATOM 74 CB TYR A 6 -11.526 11.590 -5.330 1.00 0.00 C ATOM 75 CG TYR A 6 -11.845 11.264 -6.779 1.00 0.00 C ATOM 76 CD1 TYR A 6 -10.815 10.839 -7.639 1.00 0.00 C ATOM 77 CD2 TYR A 6 -13.155 11.421 -7.277 1.00 0.00 C ATOM 78 CE1 TYR A 6 -11.082 10.577 -8.994 1.00 0.00 C ATOM 79 CE2 TYR A 6 -13.431 11.148 -8.632 1.00 0.00 C ATOM 80 CZ TYR A 6 -12.394 10.727 -9.496 1.00 0.00 C ATOM 81 OH TYR A 6 -12.647 10.481 -10.811 1.00 0.00 O ATOM 0 H TYR A 6 -12.643 9.516 -4.232 1.00 0.00 H new ATOM 0 HA TYR A 6 -9.904 10.173 -5.072 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -12.454 11.838 -4.815 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -10.899 12.481 -5.302 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -9.813 10.713 -7.255 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -13.947 11.750 -6.620 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -10.285 10.261 -9.651 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -14.436 11.261 -9.011 1.00 0.00 H new ATOM 0 HH TYR A 6 -13.598 10.629 -10.994 1.00 0.00 H new ATOM 91 N SER A 7 -10.809 10.294 -2.083 1.00 0.00 N ATOM 92 CA SER A 7 -10.410 10.624 -0.707 1.00 0.00 C ATOM 93 C SER A 7 -8.900 10.462 -0.529 1.00 0.00 C ATOM 94 O SER A 7 -8.220 11.407 -0.128 1.00 0.00 O ATOM 95 CB SER A 7 -11.178 9.763 0.304 1.00 0.00 C ATOM 96 OG SER A 7 -10.894 10.185 1.627 1.00 0.00 O ATOM 0 H SER A 7 -11.460 9.511 -2.138 1.00 0.00 H new ATOM 0 HA SER A 7 -10.662 11.668 -0.519 1.00 0.00 H new ATOM 0 HB2 SER A 7 -12.249 9.836 0.114 1.00 0.00 H new ATOM 0 HB3 SER A 7 -10.903 8.715 0.182 1.00 0.00 H new ATOM 0 HG SER A 7 -11.392 9.629 2.262 1.00 0.00 H new ATOM 102 N VAL A 8 -8.352 9.299 -0.909 1.00 0.00 N ATOM 103 CA VAL A 8 -6.905 9.014 -0.867 1.00 0.00 C ATOM 104 C VAL A 8 -6.110 9.996 -1.724 1.00 0.00 C ATOM 105 O VAL A 8 -5.114 10.548 -1.268 1.00 0.00 O ATOM 106 CB VAL A 8 -6.535 7.582 -1.321 1.00 0.00 C ATOM 107 CG1 VAL A 8 -5.403 7.062 -0.435 1.00 0.00 C ATOM 108 CG2 VAL A 8 -7.682 6.572 -1.316 1.00 0.00 C ATOM 0 H VAL A 8 -8.906 8.518 -1.259 1.00 0.00 H new ATOM 0 HA VAL A 8 -6.642 9.120 0.185 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.238 7.672 -2.366 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -5.133 6.053 -0.745 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.536 7.716 -0.531 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.732 7.047 0.604 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.314 5.602 -1.651 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.081 6.480 -0.306 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.470 6.913 -1.988 1.00 0.00 H new ATOM 118 N VAL A 9 -6.566 10.231 -2.959 1.00 0.00 N ATOM 119 CA VAL A 9 -5.961 11.142 -3.932 1.00 0.00 C ATOM 120 C VAL A 9 -5.794 12.554 -3.355 1.00 0.00 C ATOM 121 O VAL A 9 -4.678 13.066 -3.253 1.00 0.00 O ATOM 122 CB VAL A 9 -6.827 11.191 -5.202 1.00 0.00 C ATOM 123 CG1 VAL A 9 -6.201 12.087 -6.266 1.00 0.00 C ATOM 124 CG2 VAL A 9 -7.029 9.807 -5.832 1.00 0.00 C ATOM 0 H VAL A 9 -7.402 9.772 -3.321 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.968 10.765 -4.178 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.790 11.587 -4.879 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.837 12.100 -7.151 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.101 13.100 -5.876 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.217 11.702 -6.533 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -7.647 9.900 -6.725 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -6.061 9.386 -6.103 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.523 9.150 -5.116 1.00 0.00 H new ATOM 134 N SER A 10 -6.910 13.174 -2.953 1.00 0.00 N ATOM 135 CA SER A 10 -6.955 14.496 -2.316 1.00 0.00 C ATOM 136 C SER A 10 -6.100 14.543 -1.044 1.00 0.00 C ATOM 137 O SER A 10 -5.321 15.478 -0.842 1.00 0.00 O ATOM 138 CB SER A 10 -8.416 14.844 -2.004 1.00 0.00 C ATOM 139 OG SER A 10 -8.520 16.159 -1.487 1.00 0.00 O ATOM 0 H SER A 10 -7.834 12.757 -3.065 1.00 0.00 H new ATOM 0 HA SER A 10 -6.538 15.233 -3.002 1.00 0.00 H new ATOM 0 HB2 SER A 10 -9.017 14.756 -2.909 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.818 14.132 -1.283 1.00 0.00 H new ATOM 0 HG SER A 10 -9.460 16.362 -1.296 1.00 0.00 H new ATOM 145 N SER A 11 -6.185 13.496 -0.213 1.00 0.00 N ATOM 146 CA SER A 11 -5.399 13.378 1.025 1.00 0.00 C ATOM 147 C SER A 11 -3.893 13.343 0.761 1.00 0.00 C ATOM 148 O SER A 11 -3.142 13.996 1.478 1.00 0.00 O ATOM 149 CB SER A 11 -5.785 12.141 1.843 1.00 0.00 C ATOM 150 OG SER A 11 -7.130 12.223 2.281 1.00 0.00 O ATOM 0 H SER A 11 -6.804 12.702 -0.380 1.00 0.00 H new ATOM 0 HA SER A 11 -5.636 14.274 1.599 1.00 0.00 H new ATOM 0 HB2 SER A 11 -5.649 11.244 1.239 1.00 0.00 H new ATOM 0 HB3 SER A 11 -5.123 12.049 2.704 1.00 0.00 H new ATOM 0 HG SER A 11 -7.728 11.950 1.554 1.00 0.00 H new ATOM 156 N LEU A 12 -3.430 12.624 -0.268 1.00 0.00 N ATOM 157 CA LEU A 12 -2.011 12.530 -0.616 1.00 0.00 C ATOM 158 C LEU A 12 -1.425 13.888 -1.034 1.00 0.00 C ATOM 159 O LEU A 12 -0.344 14.254 -0.575 1.00 0.00 O ATOM 160 CB LEU A 12 -1.826 11.456 -1.703 1.00 0.00 C ATOM 161 CG LEU A 12 -0.355 11.087 -1.975 1.00 0.00 C ATOM 162 CD1 LEU A 12 0.340 10.550 -0.719 1.00 0.00 C ATOM 163 CD2 LEU A 12 -0.300 10.005 -3.054 1.00 0.00 C ATOM 0 H LEU A 12 -4.037 12.087 -0.887 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.451 12.231 0.270 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.367 10.557 -1.407 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.279 11.810 -2.629 1.00 0.00 H new ATOM 0 HG LEU A 12 0.160 11.993 -2.296 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.375 10.302 -0.954 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.317 11.310 0.062 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.177 9.656 -0.371 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.739 9.740 -3.251 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.841 9.123 -2.712 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.758 10.380 -3.969 1.00 0.00 H new ATOM 175 N ILE A 13 -2.151 14.656 -1.853 1.00 0.00 N ATOM 176 CA ILE A 13 -1.802 16.038 -2.240 1.00 0.00 C ATOM 177 C ILE A 13 -1.726 16.938 -0.992 1.00 0.00 C ATOM 178 O ILE A 13 -0.719 17.614 -0.775 1.00 0.00 O ATOM 179 CB ILE A 13 -2.802 16.577 -3.294 1.00 0.00 C ATOM 180 CG1 ILE A 13 -2.765 15.713 -4.578 1.00 0.00 C ATOM 181 CG2 ILE A 13 -2.529 18.051 -3.654 1.00 0.00 C ATOM 182 CD1 ILE A 13 -3.983 15.916 -5.485 1.00 0.00 C ATOM 0 H ILE A 13 -3.019 14.331 -2.278 1.00 0.00 H new ATOM 0 HA ILE A 13 -0.816 16.042 -2.704 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.794 16.518 -2.845 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.861 15.948 -5.139 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -2.702 14.662 -4.298 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.255 18.385 -4.396 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.616 18.666 -2.759 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.523 18.145 -4.062 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -3.891 15.280 -6.365 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.890 15.653 -4.941 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -4.036 16.960 -5.795 1.00 0.00 H new ATOM 194 N ALA A 14 -2.755 16.910 -0.136 1.00 0.00 N ATOM 195 CA ALA A 14 -2.789 17.651 1.128 1.00 0.00 C ATOM 196 C ALA A 14 -1.599 17.315 2.049 1.00 0.00 C ATOM 197 O ALA A 14 -0.927 18.215 2.553 1.00 0.00 O ATOM 198 CB ALA A 14 -4.124 17.368 1.827 1.00 0.00 C ATOM 0 H ALA A 14 -3.599 16.363 -0.306 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.700 18.714 0.905 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.164 17.913 2.770 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.945 17.690 1.187 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.213 16.299 2.022 1.00 0.00 H new ATOM 204 N LEU A 15 -1.313 16.025 2.248 1.00 0.00 N ATOM 205 CA LEU A 15 -0.173 15.522 3.017 1.00 0.00 C ATOM 206 C LEU A 15 1.168 15.987 2.433 1.00 0.00 C ATOM 207 O LEU A 15 2.012 16.473 3.182 1.00 0.00 O ATOM 208 CB LEU A 15 -0.250 13.986 3.084 1.00 0.00 C ATOM 209 CG LEU A 15 -1.290 13.445 4.085 1.00 0.00 C ATOM 210 CD1 LEU A 15 -1.476 11.942 3.867 1.00 0.00 C ATOM 211 CD2 LEU A 15 -0.866 13.664 5.539 1.00 0.00 C ATOM 0 H LEU A 15 -1.890 15.277 1.864 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.226 15.933 4.025 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.485 13.602 2.091 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.732 13.596 3.352 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.217 13.990 3.908 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.211 11.560 4.575 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.824 11.762 2.850 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.525 11.432 4.021 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.631 13.266 6.205 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.078 13.152 5.724 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.742 14.731 5.725 1.00 0.00 H new ATOM 223 N CYS A 16 1.369 15.892 1.114 1.00 0.00 N ATOM 224 CA CYS A 16 2.561 16.426 0.447 1.00 0.00 C ATOM 225 C CYS A 16 2.747 17.930 0.721 1.00 0.00 C ATOM 226 O CYS A 16 3.846 18.353 1.077 1.00 0.00 O ATOM 227 CB CYS A 16 2.498 16.131 -1.058 1.00 0.00 C ATOM 228 SG CYS A 16 2.727 14.355 -1.366 1.00 0.00 S ATOM 0 H CYS A 16 0.709 15.443 0.479 1.00 0.00 H new ATOM 0 HA CYS A 16 3.435 15.925 0.862 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.537 16.455 -1.459 1.00 0.00 H new ATOM 0 HB3 CYS A 16 3.269 16.699 -1.579 1.00 0.00 H new ATOM 0 HG CYS A 16 1.606 13.730 -1.157 1.00 0.00 H new ATOM 234 N GLU A 17 1.682 18.733 0.612 1.00 0.00 N ATOM 235 CA GLU A 17 1.702 20.161 0.958 1.00 0.00 C ATOM 236 C GLU A 17 2.107 20.400 2.422 1.00 0.00 C ATOM 237 O GLU A 17 3.056 21.140 2.688 1.00 0.00 O ATOM 238 CB GLU A 17 0.351 20.811 0.608 1.00 0.00 C ATOM 239 CG GLU A 17 0.433 22.337 0.432 1.00 0.00 C ATOM 240 CD GLU A 17 0.546 23.163 1.730 1.00 0.00 C ATOM 241 OE1 GLU A 17 -0.037 22.787 2.776 1.00 0.00 O ATOM 242 OE2 GLU A 17 1.176 24.246 1.688 1.00 0.00 O ATOM 0 H GLU A 17 0.774 18.408 0.279 1.00 0.00 H new ATOM 0 HA GLU A 17 2.472 20.645 0.358 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.030 20.367 -0.312 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.368 20.582 1.394 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.294 22.564 -0.196 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.453 22.668 -0.110 1.00 0.00 H new ATOM 249 N GLU A 18 1.433 19.733 3.364 1.00 0.00 N ATOM 250 CA GLU A 18 1.706 19.813 4.803 1.00 0.00 C ATOM 251 C GLU A 18 3.150 19.435 5.155 1.00 0.00 C ATOM 252 O GLU A 18 3.842 20.201 5.827 1.00 0.00 O ATOM 253 CB GLU A 18 0.731 18.911 5.586 1.00 0.00 C ATOM 254 CG GLU A 18 -0.693 19.472 5.730 1.00 0.00 C ATOM 255 CD GLU A 18 -0.784 20.706 6.650 1.00 0.00 C ATOM 256 OE1 GLU A 18 -0.029 20.807 7.646 1.00 0.00 O ATOM 257 OE2 GLU A 18 -1.612 21.607 6.373 1.00 0.00 O ATOM 0 H GLU A 18 0.661 19.105 3.141 1.00 0.00 H new ATOM 0 HA GLU A 18 1.561 20.855 5.089 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.676 17.942 5.089 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.140 18.736 6.581 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.071 19.738 4.743 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.344 18.690 6.121 1.00 0.00 H new ATOM 264 N HIS A 19 3.633 18.278 4.698 1.00 0.00 N ATOM 265 CA HIS A 19 4.997 17.828 4.964 1.00 0.00 C ATOM 266 C HIS A 19 6.036 18.775 4.353 1.00 0.00 C ATOM 267 O HIS A 19 7.047 19.058 4.998 1.00 0.00 O ATOM 268 CB HIS A 19 5.198 16.402 4.439 1.00 0.00 C ATOM 269 CG HIS A 19 4.393 15.346 5.161 1.00 0.00 C ATOM 270 ND1 HIS A 19 4.319 15.165 6.527 1.00 0.00 N ATOM 271 CD2 HIS A 19 3.642 14.361 4.575 1.00 0.00 C ATOM 272 CE1 HIS A 19 3.528 14.102 6.760 1.00 0.00 C ATOM 273 NE2 HIS A 19 3.095 13.578 5.599 1.00 0.00 N ATOM 0 H HIS A 19 3.087 17.627 4.133 1.00 0.00 H new ATOM 0 HA HIS A 19 5.143 17.833 6.044 1.00 0.00 H new ATOM 0 HB2 HIS A 19 4.937 16.378 3.381 1.00 0.00 H new ATOM 0 HB3 HIS A 19 6.255 16.148 4.513 1.00 0.00 H new ATOM 0 HD2 HIS A 19 3.498 14.215 3.515 1.00 0.00 H new ATOM 0 HE1 HIS A 19 3.276 13.723 7.740 1.00 0.00 H new ATOM 0 HE2 HIS A 19 2.486 12.767 5.486 1.00 0.00 H new ATOM 281 N ALA A 20 5.801 19.304 3.146 1.00 0.00 N ATOM 282 CA ALA A 20 6.775 20.172 2.491 1.00 0.00 C ATOM 283 C ALA A 20 6.957 21.504 3.226 1.00 0.00 C ATOM 284 O ALA A 20 8.093 21.931 3.415 1.00 0.00 O ATOM 285 CB ALA A 20 6.393 20.406 1.032 1.00 0.00 C ATOM 0 H ALA A 20 4.948 19.145 2.609 1.00 0.00 H new ATOM 0 HA ALA A 20 7.735 19.657 2.524 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.132 21.055 0.562 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.362 19.452 0.506 1.00 0.00 H new ATOM 0 HB3 ALA A 20 5.412 20.878 0.984 1.00 0.00 H new ATOM 291 N LYS A 21 5.882 22.160 3.678 1.00 0.00 N ATOM 292 CA LYS A 21 6.003 23.382 4.497 1.00 0.00 C ATOM 293 C LYS A 21 6.523 23.120 5.915 1.00 0.00 C ATOM 294 O LYS A 21 7.238 23.958 6.464 1.00 0.00 O ATOM 295 CB LYS A 21 4.698 24.178 4.497 1.00 0.00 C ATOM 296 CG LYS A 21 3.600 23.470 5.284 1.00 0.00 C ATOM 297 CD LYS A 21 2.309 24.274 5.196 1.00 0.00 C ATOM 298 CE LYS A 21 1.249 23.556 6.015 1.00 0.00 C ATOM 299 NZ LYS A 21 -0.096 23.714 5.411 1.00 0.00 N ATOM 0 H LYS A 21 4.921 21.871 3.494 1.00 0.00 H new ATOM 0 HA LYS A 21 6.768 23.996 4.022 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.874 25.164 4.927 1.00 0.00 H new ATOM 0 HB3 LYS A 21 4.367 24.332 3.470 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.443 22.467 4.887 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.900 23.358 6.326 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.463 25.284 5.575 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.989 24.368 4.158 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.496 22.497 6.086 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.242 23.950 7.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.764 23.068 5.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.419 24.695 5.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.049 23.490 4.396 1.00 0.00 H new ATOM 313 N LYS A 22 6.223 21.950 6.498 1.00 0.00 N ATOM 314 CA LYS A 22 6.638 21.576 7.869 1.00 0.00 C ATOM 315 C LYS A 22 8.134 21.261 7.928 1.00 0.00 C ATOM 316 O LYS A 22 8.821 21.641 8.874 1.00 0.00 O ATOM 317 CB LYS A 22 5.779 20.392 8.356 1.00 0.00 C ATOM 318 CG LYS A 22 5.958 20.020 9.838 1.00 0.00 C ATOM 319 CD LYS A 22 5.458 21.116 10.794 1.00 0.00 C ATOM 320 CE LYS A 22 5.508 20.620 12.244 1.00 0.00 C ATOM 321 NZ LYS A 22 4.977 21.639 13.189 1.00 0.00 N ATOM 0 H LYS A 22 5.679 21.225 6.030 1.00 0.00 H new ATOM 0 HA LYS A 22 6.474 22.420 8.538 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.730 20.629 8.181 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.014 19.519 7.748 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.421 19.094 10.042 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.013 19.827 10.034 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.073 22.010 10.687 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.438 21.398 10.534 1.00 0.00 H new ATOM 0 HE2 LYS A 22 4.929 19.701 12.335 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.536 20.376 12.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 5.026 21.270 14.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 5.546 22.507 13.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.988 21.853 12.949 1.00 0.00 H new ATOM 335 N ASN A 23 8.638 20.630 6.869 1.00 0.00 N ATOM 336 CA ASN A 23 10.066 20.388 6.620 1.00 0.00 C ATOM 337 C ASN A 23 10.781 21.600 5.981 1.00 0.00 C ATOM 338 O ASN A 23 12.000 21.586 5.820 1.00 0.00 O ATOM 339 CB ASN A 23 10.184 19.117 5.755 1.00 0.00 C ATOM 340 CG ASN A 23 11.604 18.575 5.673 1.00 0.00 C ATOM 341 OD1 ASN A 23 12.282 18.667 4.659 1.00 0.00 O ATOM 342 ND2 ASN A 23 12.098 17.976 6.734 1.00 0.00 N ATOM 0 H ASN A 23 8.043 20.257 6.129 1.00 0.00 H new ATOM 0 HA ASN A 23 10.577 20.241 7.571 1.00 0.00 H new ATOM 0 HB2 ASN A 23 9.531 18.346 6.164 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.827 19.336 4.749 1.00 0.00 H new ATOM 0 HD21 ASN A 23 13.042 17.591 6.709 1.00 0.00 H new ATOM 0 HD22 ASN A 23 11.537 17.896 7.582 1.00 0.00 H new ATOM 349 N GLN A 24 10.030 22.657 5.639 1.00 0.00 N ATOM 350 CA GLN A 24 10.477 23.880 4.956 1.00 0.00 C ATOM 351 C GLN A 24 11.114 23.602 3.573 1.00 0.00 C ATOM 352 O GLN A 24 11.919 24.388 3.070 1.00 0.00 O ATOM 353 CB GLN A 24 11.358 24.726 5.900 1.00 0.00 C ATOM 354 CG GLN A 24 10.643 25.117 7.207 1.00 0.00 C ATOM 355 CD GLN A 24 11.634 25.603 8.259 1.00 0.00 C ATOM 356 OE1 GLN A 24 11.960 26.780 8.361 1.00 0.00 O ATOM 357 NE2 GLN A 24 12.158 24.715 9.080 1.00 0.00 N ATOM 0 H GLN A 24 9.031 22.682 5.845 1.00 0.00 H new ATOM 0 HA GLN A 24 9.598 24.480 4.720 1.00 0.00 H new ATOM 0 HB2 GLN A 24 12.262 24.167 6.141 1.00 0.00 H new ATOM 0 HB3 GLN A 24 11.672 25.631 5.380 1.00 0.00 H new ATOM 0 HG2 GLN A 24 9.913 25.900 7.004 1.00 0.00 H new ATOM 0 HG3 GLN A 24 10.092 24.259 7.593 1.00 0.00 H new ATOM 0 HE21 GLN A 24 11.894 23.733 9.005 1.00 0.00 H new ATOM 0 HE22 GLN A 24 12.827 25.010 9.791 1.00 0.00 H new ATOM 366 N ALA A 25 10.750 22.474 2.953 1.00 0.00 N ATOM 367 CA ALA A 25 11.209 22.025 1.643 1.00 0.00 C ATOM 368 C ALA A 25 10.539 22.804 0.497 1.00 0.00 C ATOM 369 O ALA A 25 11.183 23.116 -0.504 1.00 0.00 O ATOM 370 CB ALA A 25 10.886 20.528 1.541 1.00 0.00 C ATOM 0 H ALA A 25 10.093 21.819 3.377 1.00 0.00 H new ATOM 0 HA ALA A 25 12.280 22.205 1.546 1.00 0.00 H new ATOM 0 HB1 ALA A 25 11.214 20.150 0.573 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.403 19.989 2.335 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.811 20.380 1.643 1.00 0.00 H new ATOM 376 N HIS A 26 9.242 23.107 0.650 1.00 0.00 N ATOM 377 CA HIS A 26 8.370 23.806 -0.312 1.00 0.00 C ATOM 378 C HIS A 26 8.368 23.231 -1.754 1.00 0.00 C ATOM 379 O HIS A 26 7.948 23.902 -2.698 1.00 0.00 O ATOM 380 CB HIS A 26 8.640 25.318 -0.238 1.00 0.00 C ATOM 381 CG HIS A 26 8.484 25.881 1.156 1.00 0.00 C ATOM 382 ND1 HIS A 26 9.506 26.249 2.006 1.00 0.00 N ATOM 383 CD2 HIS A 26 7.301 26.097 1.812 1.00 0.00 C ATOM 384 CE1 HIS A 26 8.953 26.691 3.148 1.00 0.00 C ATOM 385 NE2 HIS A 26 7.611 26.610 3.078 1.00 0.00 N ATOM 0 H HIS A 26 8.740 22.856 1.502 1.00 0.00 H new ATOM 0 HA HIS A 26 7.341 23.619 -0.005 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.651 25.518 -0.593 1.00 0.00 H new ATOM 0 HB3 HIS A 26 7.957 25.836 -0.911 1.00 0.00 H new ATOM 0 HD2 HIS A 26 6.311 25.907 1.424 1.00 0.00 H new ATOM 0 HE1 HIS A 26 9.506 27.059 4.000 1.00 0.00 H new ATOM 0 HE2 HIS A 26 6.947 26.872 3.807 1.00 0.00 H new ATOM 393 N LYS A 27 8.808 21.977 -1.921 1.00 0.00 N ATOM 394 CA LYS A 27 8.769 21.132 -3.128 1.00 0.00 C ATOM 395 C LYS A 27 8.744 19.651 -2.729 1.00 0.00 C ATOM 396 O LYS A 27 9.054 19.307 -1.586 1.00 0.00 O ATOM 397 CB LYS A 27 10.005 21.415 -4.013 1.00 0.00 C ATOM 398 CG LYS A 27 9.712 22.433 -5.126 1.00 0.00 C ATOM 399 CD LYS A 27 10.937 22.619 -6.033 1.00 0.00 C ATOM 400 CE LYS A 27 10.640 23.506 -7.250 1.00 0.00 C ATOM 401 NZ LYS A 27 10.347 24.915 -6.875 1.00 0.00 N ATOM 0 H LYS A 27 9.241 21.479 -1.143 1.00 0.00 H new ATOM 0 HA LYS A 27 7.866 21.365 -3.693 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.817 21.788 -3.389 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.349 20.482 -4.460 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.863 22.095 -5.720 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.432 23.390 -4.685 1.00 0.00 H new ATOM 0 HD2 LYS A 27 11.749 23.061 -5.455 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.283 21.644 -6.375 1.00 0.00 H new ATOM 0 HE2 LYS A 27 11.494 23.485 -7.927 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.790 23.095 -7.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 10.154 25.470 -7.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.516 24.942 -6.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 11.166 25.320 -6.379 1.00 0.00 H new ATOM 415 N ILE A 28 8.442 18.785 -3.693 1.00 0.00 N ATOM 416 CA ILE A 28 8.576 17.320 -3.628 1.00 0.00 C ATOM 417 C ILE A 28 9.606 16.865 -4.687 1.00 0.00 C ATOM 418 O ILE A 28 9.986 17.628 -5.578 1.00 0.00 O ATOM 419 CB ILE A 28 7.177 16.662 -3.809 1.00 0.00 C ATOM 420 CG1 ILE A 28 6.102 17.202 -2.832 1.00 0.00 C ATOM 421 CG2 ILE A 28 7.206 15.125 -3.695 1.00 0.00 C ATOM 422 CD1 ILE A 28 6.359 16.906 -1.348 1.00 0.00 C ATOM 0 H ILE A 28 8.077 19.097 -4.593 1.00 0.00 H new ATOM 0 HA ILE A 28 8.948 17.000 -2.655 1.00 0.00 H new ATOM 0 HB ILE A 28 6.900 16.942 -4.825 1.00 0.00 H new ATOM 0 HG12 ILE A 28 6.025 18.281 -2.963 1.00 0.00 H new ATOM 0 HG13 ILE A 28 5.137 16.778 -3.109 1.00 0.00 H new ATOM 0 HG21 ILE A 28 6.199 14.731 -3.831 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.863 14.716 -4.463 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.577 14.840 -2.711 1.00 0.00 H new ATOM 0 HD11 ILE A 28 5.551 17.325 -0.748 1.00 0.00 H new ATOM 0 HD12 ILE A 28 6.403 15.828 -1.194 1.00 0.00 H new ATOM 0 HD13 ILE A 28 7.305 17.355 -1.046 1.00 0.00 H new ATOM 434 N GLU A 29 10.073 15.621 -4.602 1.00 0.00 N ATOM 435 CA GLU A 29 10.731 14.889 -5.690 1.00 0.00 C ATOM 436 C GLU A 29 9.825 13.737 -6.152 1.00 0.00 C ATOM 437 O GLU A 29 9.299 13.769 -7.267 1.00 0.00 O ATOM 438 CB GLU A 29 12.122 14.412 -5.235 1.00 0.00 C ATOM 439 CG GLU A 29 12.857 13.525 -6.252 1.00 0.00 C ATOM 440 CD GLU A 29 13.119 14.209 -7.610 1.00 0.00 C ATOM 441 OE1 GLU A 29 13.507 15.401 -7.639 1.00 0.00 O ATOM 442 OE2 GLU A 29 12.962 13.541 -8.659 1.00 0.00 O ATOM 0 H GLU A 29 10.003 15.073 -3.745 1.00 0.00 H new ATOM 0 HA GLU A 29 10.888 15.542 -6.548 1.00 0.00 H new ATOM 0 HB2 GLU A 29 12.739 15.285 -5.021 1.00 0.00 H new ATOM 0 HB3 GLU A 29 12.015 13.860 -4.301 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.810 13.213 -5.824 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.272 12.621 -6.419 1.00 0.00 H new ATOM 449 N ARG A 30 9.610 12.736 -5.286 1.00 0.00 N ATOM 450 CA ARG A 30 8.862 11.497 -5.570 1.00 0.00 C ATOM 451 C ARG A 30 7.972 11.078 -4.393 1.00 0.00 C ATOM 452 O ARG A 30 8.211 11.458 -3.249 1.00 0.00 O ATOM 453 CB ARG A 30 9.867 10.385 -5.953 1.00 0.00 C ATOM 454 CG ARG A 30 10.291 10.474 -7.432 1.00 0.00 C ATOM 455 CD ARG A 30 11.649 9.836 -7.740 1.00 0.00 C ATOM 456 NE ARG A 30 11.638 8.385 -7.513 1.00 0.00 N ATOM 457 CZ ARG A 30 12.644 7.539 -7.560 1.00 0.00 C ATOM 458 NH1 ARG A 30 13.867 7.901 -7.832 1.00 0.00 N ATOM 459 NH2 ARG A 30 12.400 6.282 -7.342 1.00 0.00 N ATOM 0 H ARG A 30 9.965 12.766 -4.330 1.00 0.00 H new ATOM 0 HA ARG A 30 8.185 11.675 -6.406 1.00 0.00 H new ATOM 0 HB2 ARG A 30 10.750 10.460 -5.318 1.00 0.00 H new ATOM 0 HB3 ARG A 30 9.419 9.410 -5.762 1.00 0.00 H new ATOM 0 HG2 ARG A 30 9.529 9.992 -8.045 1.00 0.00 H new ATOM 0 HG3 ARG A 30 10.321 11.523 -7.726 1.00 0.00 H new ATOM 0 HD2 ARG A 30 11.918 10.039 -8.776 1.00 0.00 H new ATOM 0 HD3 ARG A 30 12.415 10.295 -7.116 1.00 0.00 H new ATOM 0 HE ARG A 30 10.729 7.979 -7.289 1.00 0.00 H new ATOM 0 HH11 ARG A 30 14.079 8.881 -8.021 1.00 0.00 H new ATOM 0 HH12 ARG A 30 14.612 7.204 -7.856 1.00 0.00 H new ATOM 0 HH21 ARG A 30 11.448 5.975 -7.141 1.00 0.00 H new ATOM 0 HH22 ARG A 30 13.160 5.602 -7.372 1.00 0.00 H new ATOM 473 N VAL A 31 6.959 10.263 -4.677 1.00 0.00 N ATOM 474 CA VAL A 31 6.003 9.671 -3.727 1.00 0.00 C ATOM 475 C VAL A 31 5.765 8.196 -4.055 1.00 0.00 C ATOM 476 O VAL A 31 5.211 7.857 -5.099 1.00 0.00 O ATOM 477 CB VAL A 31 4.706 10.503 -3.636 1.00 0.00 C ATOM 478 CG1 VAL A 31 4.052 10.915 -4.960 1.00 0.00 C ATOM 479 CG2 VAL A 31 3.638 9.804 -2.792 1.00 0.00 C ATOM 0 H VAL A 31 6.766 9.976 -5.637 1.00 0.00 H new ATOM 0 HA VAL A 31 6.436 9.700 -2.727 1.00 0.00 H new ATOM 0 HB VAL A 31 5.065 11.420 -3.168 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.151 11.494 -4.756 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.750 11.521 -5.537 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.789 10.023 -5.529 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.742 10.423 -2.754 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.394 8.840 -3.239 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.016 9.650 -1.781 1.00 0.00 H new ATOM 489 N VAL A 32 6.250 7.311 -3.185 1.00 0.00 N ATOM 490 CA VAL A 32 6.204 5.848 -3.316 1.00 0.00 C ATOM 491 C VAL A 32 4.881 5.313 -2.763 1.00 0.00 C ATOM 492 O VAL A 32 4.520 5.600 -1.621 1.00 0.00 O ATOM 493 CB VAL A 32 7.402 5.190 -2.596 1.00 0.00 C ATOM 494 CG1 VAL A 32 7.528 3.719 -3.002 1.00 0.00 C ATOM 495 CG2 VAL A 32 8.743 5.863 -2.927 1.00 0.00 C ATOM 0 H VAL A 32 6.710 7.606 -2.324 1.00 0.00 H new ATOM 0 HA VAL A 32 6.271 5.594 -4.374 1.00 0.00 H new ATOM 0 HB VAL A 32 7.200 5.299 -1.530 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.377 3.271 -2.486 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.616 3.187 -2.731 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.681 3.651 -4.079 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.546 5.357 -2.392 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.926 5.801 -4.000 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.709 6.910 -2.625 1.00 0.00 H new ATOM 505 N VAL A 33 4.154 4.536 -3.568 1.00 0.00 N ATOM 506 CA VAL A 33 2.792 4.046 -3.289 1.00 0.00 C ATOM 507 C VAL A 33 2.699 2.554 -3.604 1.00 0.00 C ATOM 508 O VAL A 33 3.001 2.137 -4.718 1.00 0.00 O ATOM 509 CB VAL A 33 1.752 4.838 -4.107 1.00 0.00 C ATOM 510 CG1 VAL A 33 0.322 4.372 -3.804 1.00 0.00 C ATOM 511 CG2 VAL A 33 1.836 6.342 -3.802 1.00 0.00 C ATOM 0 H VAL A 33 4.507 4.215 -4.469 1.00 0.00 H new ATOM 0 HA VAL A 33 2.576 4.195 -2.231 1.00 0.00 H new ATOM 0 HB VAL A 33 1.982 4.655 -5.157 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.383 4.952 -4.399 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.223 3.315 -4.053 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.109 4.517 -2.745 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.091 6.875 -4.393 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.646 6.509 -2.742 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.831 6.709 -4.055 1.00 0.00 H new ATOM 521 N GLY A 34 2.282 1.743 -2.632 1.00 0.00 N ATOM 522 CA GLY A 34 2.148 0.293 -2.749 1.00 0.00 C ATOM 523 C GLY A 34 0.726 -0.096 -3.133 1.00 0.00 C ATOM 524 O GLY A 34 -0.213 0.219 -2.402 1.00 0.00 O ATOM 0 H GLY A 34 2.019 2.091 -1.710 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.846 -0.081 -3.498 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.414 -0.178 -1.803 1.00 0.00 H new ATOM 528 N ILE A 35 0.566 -0.784 -4.266 1.00 0.00 N ATOM 529 CA ILE A 35 -0.708 -1.335 -4.750 1.00 0.00 C ATOM 530 C ILE A 35 -0.565 -2.853 -4.878 1.00 0.00 C ATOM 531 O ILE A 35 0.301 -3.343 -5.605 1.00 0.00 O ATOM 532 CB ILE A 35 -1.165 -0.670 -6.069 1.00 0.00 C ATOM 533 CG1 ILE A 35 -1.152 0.871 -5.915 1.00 0.00 C ATOM 534 CG2 ILE A 35 -2.560 -1.208 -6.450 1.00 0.00 C ATOM 535 CD1 ILE A 35 -1.900 1.644 -7.003 1.00 0.00 C ATOM 0 H ILE A 35 1.344 -0.981 -4.895 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.496 -1.113 -4.030 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.477 -0.918 -6.878 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.585 1.126 -4.948 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.116 1.209 -5.899 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.888 -0.743 -7.380 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.509 -2.289 -6.583 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.270 -0.973 -5.657 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.831 2.713 -6.803 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.456 1.427 -7.974 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.948 1.343 -7.008 1.00 0.00 H new ATOM 547 N GLY A 36 -1.372 -3.594 -4.117 1.00 0.00 N ATOM 548 CA GLY A 36 -1.261 -5.050 -3.992 1.00 0.00 C ATOM 549 C GLY A 36 -1.550 -5.793 -5.301 1.00 0.00 C ATOM 550 O GLY A 36 -2.332 -5.343 -6.141 1.00 0.00 O ATOM 0 H GLY A 36 -2.130 -3.196 -3.563 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -0.257 -5.303 -3.652 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.954 -5.396 -3.225 1.00 0.00 H new ATOM 554 N GLU A 37 -0.952 -6.973 -5.469 1.00 0.00 N ATOM 555 CA GLU A 37 -0.956 -7.729 -6.728 1.00 0.00 C ATOM 556 C GLU A 37 -2.291 -8.460 -6.986 1.00 0.00 C ATOM 557 O GLU A 37 -2.456 -9.125 -8.011 1.00 0.00 O ATOM 558 CB GLU A 37 0.277 -8.659 -6.812 1.00 0.00 C ATOM 559 CG GLU A 37 0.505 -9.586 -5.603 1.00 0.00 C ATOM 560 CD GLU A 37 1.680 -10.573 -5.771 1.00 0.00 C ATOM 561 OE1 GLU A 37 2.146 -10.828 -6.909 1.00 0.00 O ATOM 562 OE2 GLU A 37 2.128 -11.126 -4.738 1.00 0.00 O ATOM 0 H GLU A 37 -0.441 -7.442 -4.721 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.873 -7.011 -7.544 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.182 -9.276 -7.705 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.165 -8.041 -6.944 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.684 -8.974 -4.719 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.407 -10.153 -5.418 1.00 0.00 H new ATOM 569 N ARG A 38 -3.253 -8.350 -6.056 1.00 0.00 N ATOM 570 CA ARG A 38 -4.650 -8.793 -6.170 1.00 0.00 C ATOM 571 C ARG A 38 -5.676 -7.709 -5.776 1.00 0.00 C ATOM 572 O ARG A 38 -6.870 -8.000 -5.691 1.00 0.00 O ATOM 573 CB ARG A 38 -4.858 -10.107 -5.382 1.00 0.00 C ATOM 574 CG ARG A 38 -4.271 -11.352 -6.070 1.00 0.00 C ATOM 575 CD ARG A 38 -2.818 -11.642 -5.696 1.00 0.00 C ATOM 576 NE ARG A 38 -2.282 -12.826 -6.396 1.00 0.00 N ATOM 577 CZ ARG A 38 -1.801 -12.896 -7.627 1.00 0.00 C ATOM 578 NH1 ARG A 38 -1.791 -11.880 -8.444 1.00 0.00 N ATOM 579 NH2 ARG A 38 -1.309 -14.018 -8.068 1.00 0.00 N ATOM 0 H ARG A 38 -3.064 -7.923 -5.149 1.00 0.00 H new ATOM 0 HA ARG A 38 -4.840 -8.986 -7.226 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -4.405 -10.002 -4.396 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -5.926 -10.260 -5.227 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -4.881 -12.218 -5.813 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.339 -11.223 -7.150 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -2.204 -10.774 -5.935 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -2.747 -11.797 -4.619 1.00 0.00 H new ATOM 0 HE ARG A 38 -2.282 -13.697 -5.866 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -2.165 -10.980 -8.143 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -1.409 -11.985 -9.384 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -1.295 -14.841 -7.465 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -0.938 -14.074 -9.016 1.00 0.00 H new ATOM 593 N SER A 39 -5.249 -6.460 -5.547 1.00 0.00 N ATOM 594 CA SER A 39 -6.128 -5.355 -5.110 1.00 0.00 C ATOM 595 C SER A 39 -7.133 -4.889 -6.180 1.00 0.00 C ATOM 596 O SER A 39 -8.110 -4.221 -5.843 1.00 0.00 O ATOM 597 CB SER A 39 -5.290 -4.153 -4.655 1.00 0.00 C ATOM 598 OG SER A 39 -4.405 -4.516 -3.609 1.00 0.00 O ATOM 0 H SER A 39 -4.275 -6.180 -5.660 1.00 0.00 H new ATOM 0 HA SER A 39 -6.711 -5.759 -4.282 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.721 -3.762 -5.498 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.949 -3.353 -4.317 1.00 0.00 H new ATOM 0 HG SER A 39 -4.121 -3.712 -3.126 1.00 0.00 H new ATOM 604 N ALA A 40 -6.909 -5.242 -7.454 1.00 0.00 N ATOM 605 CA ALA A 40 -7.775 -5.031 -8.627 1.00 0.00 C ATOM 606 C ALA A 40 -8.180 -3.571 -8.961 1.00 0.00 C ATOM 607 O ALA A 40 -8.938 -3.346 -9.909 1.00 0.00 O ATOM 608 CB ALA A 40 -8.977 -5.984 -8.525 1.00 0.00 C ATOM 0 H ALA A 40 -6.047 -5.722 -7.714 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.163 -5.270 -9.497 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.629 -5.841 -9.387 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.623 -7.015 -8.505 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.532 -5.773 -7.611 1.00 0.00 H new ATOM 614 N MET A 41 -7.678 -2.571 -8.228 1.00 0.00 N ATOM 615 CA MET A 41 -7.870 -1.145 -8.518 1.00 0.00 C ATOM 616 C MET A 41 -7.050 -0.704 -9.740 1.00 0.00 C ATOM 617 O MET A 41 -5.999 -1.271 -10.052 1.00 0.00 O ATOM 618 CB MET A 41 -7.492 -0.308 -7.284 1.00 0.00 C ATOM 619 CG MET A 41 -8.541 -0.462 -6.176 1.00 0.00 C ATOM 620 SD MET A 41 -8.200 0.475 -4.660 1.00 0.00 S ATOM 621 CE MET A 41 -6.959 -0.603 -3.897 1.00 0.00 C ATOM 0 H MET A 41 -7.112 -2.735 -7.395 1.00 0.00 H new ATOM 0 HA MET A 41 -8.922 -0.983 -8.754 1.00 0.00 H new ATOM 0 HB2 MET A 41 -6.516 -0.621 -6.912 1.00 0.00 H new ATOM 0 HB3 MET A 41 -7.405 0.742 -7.564 1.00 0.00 H new ATOM 0 HG2 MET A 41 -9.509 -0.150 -6.568 1.00 0.00 H new ATOM 0 HG3 MET A 41 -8.625 -1.518 -5.921 1.00 0.00 H new ATOM 0 HE1 MET A 41 -6.703 -0.221 -2.909 1.00 0.00 H new ATOM 0 HE2 MET A 41 -7.362 -1.611 -3.803 1.00 0.00 H new ATOM 0 HE3 MET A 41 -6.065 -0.626 -4.520 1.00 0.00 H new ATOM 631 N ASP A 42 -7.516 0.341 -10.425 1.00 0.00 N ATOM 632 CA ASP A 42 -6.850 0.921 -11.594 1.00 0.00 C ATOM 633 C ASP A 42 -5.694 1.841 -11.161 1.00 0.00 C ATOM 634 O ASP A 42 -5.885 3.009 -10.818 1.00 0.00 O ATOM 635 CB ASP A 42 -7.878 1.635 -12.483 1.00 0.00 C ATOM 636 CG ASP A 42 -8.749 0.637 -13.262 1.00 0.00 C ATOM 637 OD1 ASP A 42 -8.244 0.032 -14.238 1.00 0.00 O ATOM 638 OD2 ASP A 42 -9.941 0.461 -12.913 1.00 0.00 O ATOM 0 H ASP A 42 -8.383 0.818 -10.179 1.00 0.00 H new ATOM 0 HA ASP A 42 -6.404 0.125 -12.191 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -8.515 2.269 -11.866 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -7.360 2.290 -13.184 1.00 0.00 H new ATOM 643 N LYS A 43 -4.469 1.307 -11.170 1.00 0.00 N ATOM 644 CA LYS A 43 -3.229 2.018 -10.806 1.00 0.00 C ATOM 645 C LYS A 43 -2.991 3.280 -11.652 1.00 0.00 C ATOM 646 O LYS A 43 -2.618 4.333 -11.134 1.00 0.00 O ATOM 647 CB LYS A 43 -2.070 1.005 -10.873 1.00 0.00 C ATOM 648 CG LYS A 43 -1.663 0.594 -12.302 1.00 0.00 C ATOM 649 CD LYS A 43 -1.076 -0.821 -12.413 1.00 0.00 C ATOM 650 CE LYS A 43 0.140 -1.075 -11.514 1.00 0.00 C ATOM 651 NZ LYS A 43 0.654 -2.453 -11.716 1.00 0.00 N ATOM 0 H LYS A 43 -4.302 0.337 -11.439 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.309 2.404 -9.790 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.202 1.431 -10.370 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.353 0.111 -10.318 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.537 0.663 -12.950 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.930 1.308 -12.678 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.853 -1.544 -12.165 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.791 -1.003 -13.449 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.924 -0.351 -11.738 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.136 -0.932 -10.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.204 -2.744 -10.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.145 -3.106 -11.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.263 -2.476 -12.558 1.00 0.00 H new ATOM 665 N SER A 44 -3.299 3.185 -12.945 1.00 0.00 N ATOM 666 CA SER A 44 -3.302 4.274 -13.927 1.00 0.00 C ATOM 667 C SER A 44 -4.304 5.374 -13.565 1.00 0.00 C ATOM 668 O SER A 44 -3.967 6.556 -13.616 1.00 0.00 O ATOM 669 CB SER A 44 -3.636 3.709 -15.312 1.00 0.00 C ATOM 670 OG SER A 44 -2.691 2.714 -15.675 1.00 0.00 O ATOM 0 H SER A 44 -3.569 2.294 -13.362 1.00 0.00 H new ATOM 0 HA SER A 44 -2.309 4.723 -13.930 1.00 0.00 H new ATOM 0 HB2 SER A 44 -4.640 3.284 -15.307 1.00 0.00 H new ATOM 0 HB3 SER A 44 -3.633 4.511 -16.051 1.00 0.00 H new ATOM 0 HG SER A 44 -2.914 2.358 -16.560 1.00 0.00 H new ATOM 676 N LEU A 45 -5.522 5.002 -13.148 1.00 0.00 N ATOM 677 CA LEU A 45 -6.535 5.934 -12.644 1.00 0.00 C ATOM 678 C LEU A 45 -6.065 6.638 -11.361 1.00 0.00 C ATOM 679 O LEU A 45 -6.256 7.845 -11.251 1.00 0.00 O ATOM 680 CB LEU A 45 -7.869 5.190 -12.450 1.00 0.00 C ATOM 681 CG LEU A 45 -9.025 6.008 -11.850 1.00 0.00 C ATOM 682 CD1 LEU A 45 -9.369 7.254 -12.671 1.00 0.00 C ATOM 683 CD2 LEU A 45 -10.277 5.134 -11.767 1.00 0.00 C ATOM 0 H LEU A 45 -5.834 4.031 -13.152 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.691 6.723 -13.380 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.189 4.804 -13.418 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.690 4.328 -11.807 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.695 6.336 -10.864 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -10.192 7.787 -12.195 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.497 7.906 -12.725 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.663 6.957 -13.678 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -11.097 5.713 -11.342 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -10.551 4.796 -12.766 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -10.076 4.270 -11.134 1.00 0.00 H new ATOM 695 N PHE A 46 -5.414 5.937 -10.422 1.00 0.00 N ATOM 696 CA PHE A 46 -4.879 6.568 -9.208 1.00 0.00 C ATOM 697 C PHE A 46 -3.899 7.706 -9.520 1.00 0.00 C ATOM 698 O PHE A 46 -4.100 8.834 -9.064 1.00 0.00 O ATOM 699 CB PHE A 46 -4.225 5.553 -8.258 1.00 0.00 C ATOM 700 CG PHE A 46 -3.749 6.216 -6.975 1.00 0.00 C ATOM 701 CD1 PHE A 46 -4.701 6.829 -6.135 1.00 0.00 C ATOM 702 CD2 PHE A 46 -2.376 6.306 -6.654 1.00 0.00 C ATOM 703 CE1 PHE A 46 -4.298 7.528 -4.985 1.00 0.00 C ATOM 704 CE2 PHE A 46 -1.987 6.978 -5.480 1.00 0.00 C ATOM 705 CZ PHE A 46 -2.938 7.605 -4.658 1.00 0.00 C ATOM 0 H PHE A 46 -5.245 4.933 -10.480 1.00 0.00 H new ATOM 0 HA PHE A 46 -5.743 6.998 -8.701 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -4.939 4.765 -8.018 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -3.381 5.077 -8.757 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.751 6.760 -6.378 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.633 5.864 -7.302 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -5.034 8.005 -4.355 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.943 7.012 -5.207 1.00 0.00 H new ATOM 0 HZ PHE A 46 -2.622 8.144 -3.777 1.00 0.00 H new ATOM 715 N VAL A 47 -2.856 7.440 -10.319 1.00 0.00 N ATOM 716 CA VAL A 47 -1.915 8.506 -10.702 1.00 0.00 C ATOM 717 C VAL A 47 -2.561 9.583 -11.538 1.00 0.00 C ATOM 718 O VAL A 47 -2.343 10.761 -11.284 1.00 0.00 O ATOM 719 CB VAL A 47 -0.652 7.975 -11.372 1.00 0.00 C ATOM 720 CG1 VAL A 47 -0.808 7.297 -12.732 1.00 0.00 C ATOM 721 CG2 VAL A 47 0.433 9.050 -11.486 1.00 0.00 C ATOM 0 H VAL A 47 -2.644 6.520 -10.705 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.609 8.965 -9.762 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.361 7.181 -10.684 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.168 6.969 -13.089 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.467 6.434 -12.635 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.237 8.003 -13.443 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.314 8.628 -11.969 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.058 9.884 -12.080 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.700 9.405 -10.490 1.00 0.00 H new ATOM 731 N SER A 48 -3.406 9.208 -12.489 1.00 0.00 N ATOM 732 CA SER A 48 -4.105 10.187 -13.310 1.00 0.00 C ATOM 733 C SER A 48 -5.000 11.113 -12.466 1.00 0.00 C ATOM 734 O SER A 48 -5.082 12.312 -12.739 1.00 0.00 O ATOM 735 CB SER A 48 -4.890 9.444 -14.388 1.00 0.00 C ATOM 736 OG SER A 48 -5.527 10.330 -15.294 1.00 0.00 O ATOM 0 H SER A 48 -3.623 8.236 -12.710 1.00 0.00 H new ATOM 0 HA SER A 48 -3.379 10.844 -13.788 1.00 0.00 H new ATOM 0 HB2 SER A 48 -4.216 8.787 -14.938 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.640 8.809 -13.916 1.00 0.00 H new ATOM 0 HG SER A 48 -6.016 9.813 -15.968 1.00 0.00 H new ATOM 742 N ALA A 49 -5.588 10.600 -11.377 1.00 0.00 N ATOM 743 CA ALA A 49 -6.344 11.389 -10.401 1.00 0.00 C ATOM 744 C ALA A 49 -5.422 12.344 -9.623 1.00 0.00 C ATOM 745 O ALA A 49 -5.700 13.545 -9.550 1.00 0.00 O ATOM 746 CB ALA A 49 -7.123 10.453 -9.461 1.00 0.00 C ATOM 0 H ALA A 49 -5.550 9.607 -11.147 1.00 0.00 H new ATOM 0 HA ALA A 49 -7.064 12.011 -10.933 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.683 11.047 -8.738 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.815 9.845 -10.044 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.425 9.803 -8.934 1.00 0.00 H new ATOM 752 N PHE A 50 -4.310 11.829 -9.080 1.00 0.00 N ATOM 753 CA PHE A 50 -3.266 12.629 -8.426 1.00 0.00 C ATOM 754 C PHE A 50 -2.786 13.778 -9.324 1.00 0.00 C ATOM 755 O PHE A 50 -2.876 14.935 -8.926 1.00 0.00 O ATOM 756 CB PHE A 50 -2.112 11.718 -7.975 1.00 0.00 C ATOM 757 CG PHE A 50 -0.948 12.458 -7.339 1.00 0.00 C ATOM 758 CD1 PHE A 50 -1.024 12.874 -5.996 1.00 0.00 C ATOM 759 CD2 PHE A 50 0.217 12.729 -8.086 1.00 0.00 C ATOM 760 CE1 PHE A 50 0.049 13.567 -5.406 1.00 0.00 C ATOM 761 CE2 PHE A 50 1.288 13.425 -7.499 1.00 0.00 C ATOM 762 CZ PHE A 50 1.203 13.848 -6.159 1.00 0.00 C ATOM 0 H PHE A 50 -4.108 10.829 -9.083 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.691 13.097 -7.538 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.497 10.988 -7.263 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.746 11.160 -8.837 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -1.910 12.660 -5.416 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.287 12.401 -9.113 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.014 13.883 -4.375 1.00 0.00 H new ATOM 0 HE2 PHE A 50 2.176 13.635 -8.076 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.023 14.388 -5.710 1.00 0.00 H new ATOM 772 N GLU A 51 -2.342 13.482 -10.548 1.00 0.00 N ATOM 773 CA GLU A 51 -1.858 14.444 -11.552 1.00 0.00 C ATOM 774 C GLU A 51 -2.908 15.499 -11.938 1.00 0.00 C ATOM 775 O GLU A 51 -2.565 16.664 -12.150 1.00 0.00 O ATOM 776 CB GLU A 51 -1.418 13.697 -12.822 1.00 0.00 C ATOM 777 CG GLU A 51 -0.203 12.785 -12.619 1.00 0.00 C ATOM 778 CD GLU A 51 1.097 13.578 -12.412 1.00 0.00 C ATOM 779 OE1 GLU A 51 1.701 14.022 -13.417 1.00 0.00 O ATOM 780 OE2 GLU A 51 1.519 13.764 -11.245 1.00 0.00 O ATOM 0 H GLU A 51 -2.307 12.520 -10.886 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.019 14.968 -11.095 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.252 13.098 -13.186 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.186 14.426 -13.598 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.375 12.142 -11.755 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.093 12.132 -13.485 1.00 0.00 H new ATOM 787 N THR A 52 -4.183 15.108 -12.015 1.00 0.00 N ATOM 788 CA THR A 52 -5.314 16.009 -12.305 1.00 0.00 C ATOM 789 C THR A 52 -5.502 17.050 -11.198 1.00 0.00 C ATOM 790 O THR A 52 -5.459 18.253 -11.466 1.00 0.00 O ATOM 791 CB THR A 52 -6.620 15.225 -12.538 1.00 0.00 C ATOM 792 OG1 THR A 52 -6.502 14.436 -13.703 1.00 0.00 O ATOM 793 CG2 THR A 52 -7.829 16.134 -12.768 1.00 0.00 C ATOM 0 H THR A 52 -4.469 14.139 -11.876 1.00 0.00 H new ATOM 0 HA THR A 52 -5.070 16.537 -13.227 1.00 0.00 H new ATOM 0 HB THR A 52 -6.774 14.631 -11.637 1.00 0.00 H new ATOM 0 HG1 THR A 52 -5.881 13.696 -13.536 1.00 0.00 H new ATOM 0 HG21 THR A 52 -8.718 15.524 -12.926 1.00 0.00 H new ATOM 0 HG22 THR A 52 -7.976 16.771 -11.896 1.00 0.00 H new ATOM 0 HG23 THR A 52 -7.655 16.756 -13.646 1.00 0.00 H new ATOM 801 N PHE A 53 -5.713 16.615 -9.950 1.00 0.00 N ATOM 802 CA PHE A 53 -5.985 17.516 -8.819 1.00 0.00 C ATOM 803 C PHE A 53 -4.727 18.183 -8.229 1.00 0.00 C ATOM 804 O PHE A 53 -4.840 19.076 -7.385 1.00 0.00 O ATOM 805 CB PHE A 53 -6.775 16.758 -7.743 1.00 0.00 C ATOM 806 CG PHE A 53 -8.089 16.163 -8.220 1.00 0.00 C ATOM 807 CD1 PHE A 53 -9.061 16.966 -8.851 1.00 0.00 C ATOM 808 CD2 PHE A 53 -8.348 14.794 -8.023 1.00 0.00 C ATOM 809 CE1 PHE A 53 -10.270 16.397 -9.294 1.00 0.00 C ATOM 810 CE2 PHE A 53 -9.558 14.229 -8.456 1.00 0.00 C ATOM 811 CZ PHE A 53 -10.519 15.028 -9.098 1.00 0.00 C ATOM 0 H PHE A 53 -5.700 15.628 -9.694 1.00 0.00 H new ATOM 0 HA PHE A 53 -6.582 18.342 -9.206 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -6.150 15.956 -7.350 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -6.979 17.437 -6.915 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -8.878 18.021 -8.995 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -7.611 14.174 -7.535 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -11.008 17.014 -9.786 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -9.750 13.179 -8.295 1.00 0.00 H new ATOM 0 HZ PHE A 53 -11.446 14.591 -9.440 1.00 0.00 H new ATOM 821 N ARG A 54 -3.530 17.790 -8.692 1.00 0.00 N ATOM 822 CA ARG A 54 -2.197 18.256 -8.265 1.00 0.00 C ATOM 823 C ARG A 54 -2.082 19.775 -8.181 1.00 0.00 C ATOM 824 O ARG A 54 -1.427 20.313 -7.292 1.00 0.00 O ATOM 825 CB ARG A 54 -1.161 17.698 -9.262 1.00 0.00 C ATOM 826 CG ARG A 54 0.207 17.441 -8.630 1.00 0.00 C ATOM 827 CD ARG A 54 1.089 16.588 -9.551 1.00 0.00 C ATOM 828 NE ARG A 54 1.487 17.302 -10.784 1.00 0.00 N ATOM 829 CZ ARG A 54 2.536 17.017 -11.535 1.00 0.00 C ATOM 830 NH1 ARG A 54 3.224 15.931 -11.364 1.00 0.00 N ATOM 831 NH2 ARG A 54 2.922 17.827 -12.480 1.00 0.00 N ATOM 0 H ARG A 54 -3.461 17.087 -9.428 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.017 17.891 -7.254 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -1.539 16.767 -9.685 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.046 18.400 -10.088 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.701 18.391 -8.426 1.00 0.00 H new ATOM 0 HG3 ARG A 54 0.080 16.936 -7.673 1.00 0.00 H new ATOM 0 HD2 ARG A 54 1.984 16.282 -9.009 1.00 0.00 H new ATOM 0 HD3 ARG A 54 0.552 15.678 -9.820 1.00 0.00 H new ATOM 0 HE ARG A 54 0.901 18.082 -11.080 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.960 15.270 -10.634 1.00 0.00 H new ATOM 0 HH12 ARG A 54 4.029 15.738 -11.960 1.00 0.00 H new ATOM 0 HH21 ARG A 54 2.412 18.694 -12.648 1.00 0.00 H new ATOM 0 HH22 ARG A 54 3.734 17.594 -13.052 1.00 0.00 H new ATOM 845 N GLU A 55 -2.745 20.453 -9.115 1.00 0.00 N ATOM 846 CA GLU A 55 -2.752 21.907 -9.277 1.00 0.00 C ATOM 847 C GLU A 55 -3.342 22.704 -8.100 1.00 0.00 C ATOM 848 O GLU A 55 -3.160 23.920 -8.029 1.00 0.00 O ATOM 849 CB GLU A 55 -3.456 22.294 -10.585 1.00 0.00 C ATOM 850 CG GLU A 55 -2.839 21.595 -11.805 1.00 0.00 C ATOM 851 CD GLU A 55 -2.732 22.556 -13.000 1.00 0.00 C ATOM 852 OE1 GLU A 55 -1.752 23.342 -13.031 1.00 0.00 O ATOM 853 OE2 GLU A 55 -3.607 22.538 -13.898 1.00 0.00 O ATOM 0 H GLU A 55 -3.320 19.982 -9.814 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.699 22.188 -9.306 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.513 22.036 -10.517 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.399 23.374 -10.720 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.849 21.217 -11.549 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.448 20.734 -12.081 1.00 0.00 H new ATOM 860 N GLU A 56 -4.008 22.041 -7.150 1.00 0.00 N ATOM 861 CA GLU A 56 -4.461 22.653 -5.891 1.00 0.00 C ATOM 862 C GLU A 56 -3.304 23.195 -5.016 1.00 0.00 C ATOM 863 O GLU A 56 -3.519 24.113 -4.218 1.00 0.00 O ATOM 864 CB GLU A 56 -5.319 21.628 -5.128 1.00 0.00 C ATOM 865 CG GLU A 56 -6.069 22.241 -3.936 1.00 0.00 C ATOM 866 CD GLU A 56 -7.109 21.260 -3.364 1.00 0.00 C ATOM 867 OE1 GLU A 56 -8.267 21.245 -3.852 1.00 0.00 O ATOM 868 OE2 GLU A 56 -6.789 20.516 -2.406 1.00 0.00 O ATOM 0 H GLU A 56 -4.252 21.054 -7.231 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.058 23.531 -6.137 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.040 21.184 -5.814 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.679 20.821 -4.771 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.357 22.514 -3.157 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.566 23.159 -4.250 1.00 0.00 H new ATOM 875 N SER A 57 -2.073 22.688 -5.188 1.00 0.00 N ATOM 876 CA SER A 57 -0.896 23.041 -4.376 1.00 0.00 C ATOM 877 C SER A 57 0.363 23.243 -5.233 1.00 0.00 C ATOM 878 O SER A 57 0.794 22.342 -5.951 1.00 0.00 O ATOM 879 CB SER A 57 -0.648 21.958 -3.314 1.00 0.00 C ATOM 880 OG SER A 57 -1.770 21.805 -2.457 1.00 0.00 O ATOM 0 H SER A 57 -1.863 22.003 -5.914 1.00 0.00 H new ATOM 0 HA SER A 57 -1.109 23.992 -3.887 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.431 21.009 -3.804 1.00 0.00 H new ATOM 0 HB3 SER A 57 0.230 22.220 -2.723 1.00 0.00 H new ATOM 0 HG SER A 57 -1.582 21.108 -1.794 1.00 0.00 H new ATOM 886 N LEU A 58 0.994 24.420 -5.143 1.00 0.00 N ATOM 887 CA LEU A 58 2.175 24.791 -5.947 1.00 0.00 C ATOM 888 C LEU A 58 3.368 23.847 -5.726 1.00 0.00 C ATOM 889 O LEU A 58 4.096 23.536 -6.669 1.00 0.00 O ATOM 890 CB LEU A 58 2.570 26.257 -5.660 1.00 0.00 C ATOM 891 CG LEU A 58 1.806 27.351 -6.438 1.00 0.00 C ATOM 892 CD1 LEU A 58 2.074 27.287 -7.944 1.00 0.00 C ATOM 893 CD2 LEU A 58 0.292 27.315 -6.222 1.00 0.00 C ATOM 0 H LEU A 58 0.698 25.155 -4.501 1.00 0.00 H new ATOM 0 HA LEU A 58 1.897 24.691 -6.996 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.436 26.442 -4.594 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.633 26.370 -5.872 1.00 0.00 H new ATOM 0 HG LEU A 58 2.192 28.285 -6.029 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.515 28.076 -8.447 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.139 27.422 -8.130 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.759 26.317 -8.329 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.177 28.112 -6.799 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.099 26.352 -6.549 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.072 27.456 -5.164 1.00 0.00 H new ATOM 905 N VAL A 59 3.544 23.348 -4.499 1.00 0.00 N ATOM 906 CA VAL A 59 4.630 22.422 -4.124 1.00 0.00 C ATOM 907 C VAL A 59 4.443 21.010 -4.703 1.00 0.00 C ATOM 908 O VAL A 59 5.414 20.269 -4.858 1.00 0.00 O ATOM 909 CB VAL A 59 4.819 22.358 -2.592 1.00 0.00 C ATOM 910 CG1 VAL A 59 4.804 23.754 -1.946 1.00 0.00 C ATOM 911 CG2 VAL A 59 3.760 21.522 -1.867 1.00 0.00 C ATOM 0 H VAL A 59 2.927 23.577 -3.720 1.00 0.00 H new ATOM 0 HA VAL A 59 5.537 22.832 -4.569 1.00 0.00 H new ATOM 0 HB VAL A 59 5.792 21.881 -2.476 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.940 23.658 -0.869 1.00 0.00 H new ATOM 0 HG12 VAL A 59 5.612 24.356 -2.362 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.849 24.239 -2.149 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.963 21.527 -0.796 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.773 21.946 -2.051 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.789 20.497 -2.237 1.00 0.00 H new ATOM 921 N CYS A 60 3.199 20.641 -5.031 1.00 0.00 N ATOM 922 CA CYS A 60 2.803 19.339 -5.577 1.00 0.00 C ATOM 923 C CYS A 60 3.008 19.228 -7.093 1.00 0.00 C ATOM 924 O CYS A 60 3.223 18.129 -7.599 1.00 0.00 O ATOM 925 CB CYS A 60 1.326 19.107 -5.230 1.00 0.00 C ATOM 926 SG CYS A 60 1.227 18.514 -3.518 1.00 0.00 S ATOM 0 H CYS A 60 2.405 21.271 -4.917 1.00 0.00 H new ATOM 0 HA CYS A 60 3.443 18.578 -5.130 1.00 0.00 H new ATOM 0 HB2 CYS A 60 0.760 20.031 -5.345 1.00 0.00 H new ATOM 0 HB3 CYS A 60 0.887 18.377 -5.910 1.00 0.00 H new ATOM 0 HG CYS A 60 0.213 19.070 -2.924 1.00 0.00 H new ATOM 932 N LYS A 61 2.959 20.352 -7.821 1.00 0.00 N ATOM 933 CA LYS A 61 3.085 20.425 -9.293 1.00 0.00 C ATOM 934 C LYS A 61 4.462 20.010 -9.846 1.00 0.00 C ATOM 935 O LYS A 61 4.642 19.955 -11.061 1.00 0.00 O ATOM 936 CB LYS A 61 2.699 21.839 -9.753 1.00 0.00 C ATOM 937 CG LYS A 61 1.172 22.019 -9.717 1.00 0.00 C ATOM 938 CD LYS A 61 0.773 23.497 -9.717 1.00 0.00 C ATOM 939 CE LYS A 61 1.319 24.345 -10.880 1.00 0.00 C ATOM 940 NZ LYS A 61 0.848 23.873 -12.212 1.00 0.00 N ATOM 0 H LYS A 61 2.826 21.268 -7.393 1.00 0.00 H new ATOM 0 HA LYS A 61 2.400 19.685 -9.707 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.174 22.579 -9.109 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.068 22.012 -10.764 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.727 21.523 -10.579 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.770 21.534 -8.828 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.315 23.559 -9.729 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.108 23.943 -8.780 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.016 25.383 -10.740 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.409 24.325 -10.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.118 24.564 -12.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.283 22.954 -12.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.187 23.771 -12.198 1.00 0.00 H new ATOM 954 N ASP A 62 5.415 19.683 -8.975 1.00 0.00 N ATOM 955 CA ASP A 62 6.705 19.069 -9.292 1.00 0.00 C ATOM 956 C ASP A 62 6.896 17.794 -8.444 1.00 0.00 C ATOM 957 O ASP A 62 7.541 17.816 -7.395 1.00 0.00 O ATOM 958 CB ASP A 62 7.821 20.114 -9.106 1.00 0.00 C ATOM 959 CG ASP A 62 9.214 19.605 -9.516 1.00 0.00 C ATOM 960 OD1 ASP A 62 9.315 18.654 -10.329 1.00 0.00 O ATOM 961 OD2 ASP A 62 10.222 20.205 -9.068 1.00 0.00 O ATOM 0 H ASP A 62 5.303 19.848 -7.975 1.00 0.00 H new ATOM 0 HA ASP A 62 6.744 18.750 -10.333 1.00 0.00 H new ATOM 0 HB2 ASP A 62 7.580 21.000 -9.693 1.00 0.00 H new ATOM 0 HB3 ASP A 62 7.849 20.422 -8.061 1.00 0.00 H new ATOM 966 N ALA A 63 6.272 16.691 -8.873 1.00 0.00 N ATOM 967 CA ALA A 63 6.332 15.372 -8.233 1.00 0.00 C ATOM 968 C ALA A 63 6.178 14.223 -9.254 1.00 0.00 C ATOM 969 O ALA A 63 5.700 14.431 -10.373 1.00 0.00 O ATOM 970 CB ALA A 63 5.225 15.297 -7.168 1.00 0.00 C ATOM 0 H ALA A 63 5.688 16.693 -9.709 1.00 0.00 H new ATOM 0 HA ALA A 63 7.312 15.251 -7.772 1.00 0.00 H new ATOM 0 HB1 ALA A 63 5.254 14.322 -6.681 1.00 0.00 H new ATOM 0 HB2 ALA A 63 5.382 16.079 -6.425 1.00 0.00 H new ATOM 0 HB3 ALA A 63 4.254 15.437 -7.642 1.00 0.00 H new ATOM 976 N ILE A 64 6.533 12.997 -8.850 1.00 0.00 N ATOM 977 CA ILE A 64 6.323 11.739 -9.594 1.00 0.00 C ATOM 978 C ILE A 64 5.823 10.654 -8.629 1.00 0.00 C ATOM 979 O ILE A 64 6.366 10.487 -7.534 1.00 0.00 O ATOM 980 CB ILE A 64 7.628 11.292 -10.292 1.00 0.00 C ATOM 981 CG1 ILE A 64 8.147 12.366 -11.277 1.00 0.00 C ATOM 982 CG2 ILE A 64 7.462 9.934 -11.005 1.00 0.00 C ATOM 983 CD1 ILE A 64 9.500 12.030 -11.911 1.00 0.00 C ATOM 0 H ILE A 64 6.996 12.843 -7.954 1.00 0.00 H new ATOM 0 HA ILE A 64 5.572 11.902 -10.367 1.00 0.00 H new ATOM 0 HB ILE A 64 8.375 11.167 -9.508 1.00 0.00 H new ATOM 0 HG12 ILE A 64 7.411 12.504 -12.069 1.00 0.00 H new ATOM 0 HG13 ILE A 64 8.230 13.317 -10.751 1.00 0.00 H new ATOM 0 HG21 ILE A 64 8.402 9.656 -11.483 1.00 0.00 H new ATOM 0 HG22 ILE A 64 7.186 9.172 -10.276 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.680 10.013 -11.761 1.00 0.00 H new ATOM 0 HD11 ILE A 64 9.794 12.832 -12.588 1.00 0.00 H new ATOM 0 HD12 ILE A 64 10.252 11.922 -11.129 1.00 0.00 H new ATOM 0 HD13 ILE A 64 9.419 11.096 -12.468 1.00 0.00 H new ATOM 995 N LEU A 65 4.800 9.904 -9.041 1.00 0.00 N ATOM 996 CA LEU A 65 4.152 8.852 -8.248 1.00 0.00 C ATOM 997 C LEU A 65 4.713 7.468 -8.614 1.00 0.00 C ATOM 998 O LEU A 65 4.393 6.904 -9.662 1.00 0.00 O ATOM 999 CB LEU A 65 2.630 9.003 -8.415 1.00 0.00 C ATOM 1000 CG LEU A 65 1.745 8.292 -7.371 1.00 0.00 C ATOM 1001 CD1 LEU A 65 0.358 8.926 -7.403 1.00 0.00 C ATOM 1002 CD2 LEU A 65 1.591 6.797 -7.626 1.00 0.00 C ATOM 0 H LEU A 65 4.384 10.014 -9.966 1.00 0.00 H new ATOM 0 HA LEU A 65 4.371 8.954 -7.185 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.390 10.066 -8.398 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.357 8.631 -9.402 1.00 0.00 H new ATOM 0 HG LEU A 65 2.233 8.408 -6.403 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.283 8.436 -6.670 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.437 9.987 -7.164 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.072 8.809 -8.398 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.957 6.360 -6.855 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.135 6.640 -8.603 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.571 6.321 -7.602 1.00 0.00 H new ATOM 1014 N ASP A 66 5.585 6.933 -7.758 1.00 0.00 N ATOM 1015 CA ASP A 66 6.179 5.596 -7.898 1.00 0.00 C ATOM 1016 C ASP A 66 5.194 4.500 -7.454 1.00 0.00 C ATOM 1017 O ASP A 66 5.132 4.130 -6.278 1.00 0.00 O ATOM 1018 CB ASP A 66 7.497 5.492 -7.108 1.00 0.00 C ATOM 1019 CG ASP A 66 8.701 6.162 -7.775 1.00 0.00 C ATOM 1020 OD1 ASP A 66 8.764 6.271 -9.022 1.00 0.00 O ATOM 1021 OD2 ASP A 66 9.640 6.527 -7.032 1.00 0.00 O ATOM 0 H ASP A 66 5.908 7.427 -6.926 1.00 0.00 H new ATOM 0 HA ASP A 66 6.401 5.443 -8.954 1.00 0.00 H new ATOM 0 HB2 ASP A 66 7.350 5.937 -6.124 1.00 0.00 H new ATOM 0 HB3 ASP A 66 7.727 4.438 -6.950 1.00 0.00 H new ATOM 1026 N ILE A 67 4.414 3.978 -8.404 1.00 0.00 N ATOM 1027 CA ILE A 67 3.522 2.825 -8.222 1.00 0.00 C ATOM 1028 C ILE A 67 4.353 1.535 -8.061 1.00 0.00 C ATOM 1029 O ILE A 67 4.846 0.965 -9.038 1.00 0.00 O ATOM 1030 CB ILE A 67 2.516 2.701 -9.392 1.00 0.00 C ATOM 1031 CG1 ILE A 67 1.761 4.024 -9.658 1.00 0.00 C ATOM 1032 CG2 ILE A 67 1.497 1.593 -9.070 1.00 0.00 C ATOM 1033 CD1 ILE A 67 0.875 4.007 -10.907 1.00 0.00 C ATOM 0 H ILE A 67 4.383 4.356 -9.351 1.00 0.00 H new ATOM 0 HA ILE A 67 2.941 2.979 -7.313 1.00 0.00 H new ATOM 0 HB ILE A 67 3.083 2.456 -10.290 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.142 4.255 -8.791 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.488 4.830 -9.754 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.786 1.502 -9.892 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.020 0.646 -8.936 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.962 1.845 -8.154 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.383 4.974 -11.018 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.489 3.810 -11.786 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.121 3.226 -10.808 1.00 0.00 H new ATOM 1045 N VAL A 68 4.519 1.078 -6.821 1.00 0.00 N ATOM 1046 CA VAL A 68 5.121 -0.209 -6.444 1.00 0.00 C ATOM 1047 C VAL A 68 4.064 -1.316 -6.484 1.00 0.00 C ATOM 1048 O VAL A 68 3.029 -1.228 -5.824 1.00 0.00 O ATOM 1049 CB VAL A 68 5.758 -0.123 -5.042 1.00 0.00 C ATOM 1050 CG1 VAL A 68 6.318 -1.470 -4.561 1.00 0.00 C ATOM 1051 CG2 VAL A 68 6.919 0.879 -5.050 1.00 0.00 C ATOM 0 H VAL A 68 4.224 1.619 -6.008 1.00 0.00 H new ATOM 0 HA VAL A 68 5.907 -0.447 -7.161 1.00 0.00 H new ATOM 0 HB VAL A 68 4.962 0.191 -4.367 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.754 -1.350 -3.569 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.513 -2.204 -4.517 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.085 -1.814 -5.255 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.361 0.932 -4.055 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.674 0.555 -5.766 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.548 1.864 -5.335 1.00 0.00 H new ATOM 1061 N ASP A 69 4.342 -2.379 -7.240 1.00 0.00 N ATOM 1062 CA ASP A 69 3.597 -3.643 -7.193 1.00 0.00 C ATOM 1063 C ASP A 69 3.866 -4.362 -5.858 1.00 0.00 C ATOM 1064 O ASP A 69 4.928 -4.961 -5.660 1.00 0.00 O ATOM 1065 CB ASP A 69 3.980 -4.531 -8.388 1.00 0.00 C ATOM 1066 CG ASP A 69 3.604 -3.891 -9.731 1.00 0.00 C ATOM 1067 OD1 ASP A 69 2.402 -3.613 -9.952 1.00 0.00 O ATOM 1068 OD2 ASP A 69 4.502 -3.675 -10.579 1.00 0.00 O ATOM 0 H ASP A 69 5.106 -2.388 -7.916 1.00 0.00 H new ATOM 0 HA ASP A 69 2.530 -3.433 -7.259 1.00 0.00 H new ATOM 0 HB2 ASP A 69 5.053 -4.723 -8.367 1.00 0.00 H new ATOM 0 HB3 ASP A 69 3.482 -5.496 -8.295 1.00 0.00 H new ATOM 1073 N GLU A 70 2.938 -4.253 -4.907 1.00 0.00 N ATOM 1074 CA GLU A 70 3.070 -4.823 -3.561 1.00 0.00 C ATOM 1075 C GLU A 70 2.648 -6.301 -3.539 1.00 0.00 C ATOM 1076 O GLU A 70 1.777 -6.711 -4.311 1.00 0.00 O ATOM 1077 CB GLU A 70 2.243 -3.994 -2.552 1.00 0.00 C ATOM 1078 CG GLU A 70 3.117 -3.268 -1.521 1.00 0.00 C ATOM 1079 CD GLU A 70 3.739 -4.252 -0.515 1.00 0.00 C ATOM 1080 OE1 GLU A 70 4.570 -5.093 -0.937 1.00 0.00 O ATOM 1081 OE2 GLU A 70 3.373 -4.214 0.683 1.00 0.00 O ATOM 0 H GLU A 70 2.058 -3.758 -5.050 1.00 0.00 H new ATOM 0 HA GLU A 70 4.119 -4.780 -3.269 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.645 -3.262 -3.094 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.547 -4.652 -2.032 1.00 0.00 H new ATOM 0 HG2 GLU A 70 3.909 -2.722 -2.034 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.516 -2.532 -0.987 1.00 0.00 H new ATOM 1088 N LYS A 71 3.226 -7.112 -2.640 1.00 0.00 N ATOM 1089 CA LYS A 71 2.852 -8.533 -2.510 1.00 0.00 C ATOM 1090 C LYS A 71 1.558 -8.732 -1.715 1.00 0.00 C ATOM 1091 O LYS A 71 1.107 -7.826 -1.011 1.00 0.00 O ATOM 1092 CB LYS A 71 4.017 -9.425 -2.031 1.00 0.00 C ATOM 1093 CG LYS A 71 4.243 -9.553 -0.517 1.00 0.00 C ATOM 1094 CD LYS A 71 4.626 -8.270 0.219 1.00 0.00 C ATOM 1095 CE LYS A 71 6.118 -7.899 0.144 1.00 0.00 C ATOM 1096 NZ LYS A 71 6.461 -7.082 -1.047 1.00 0.00 N ATOM 0 H LYS A 71 3.954 -6.811 -1.992 1.00 0.00 H new ATOM 0 HA LYS A 71 2.629 -8.881 -3.519 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.860 -10.426 -2.432 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.936 -9.044 -2.476 1.00 0.00 H new ATOM 0 HG2 LYS A 71 3.332 -9.947 -0.067 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.027 -10.291 -0.349 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.041 -7.446 -0.189 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.344 -8.372 1.267 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.394 -7.350 1.044 1.00 0.00 H new ATOM 0 HE3 LYS A 71 6.712 -8.813 0.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.378 -6.615 -0.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.520 -7.696 -1.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 5.726 -6.362 -1.197 1.00 0.00 H new ATOM 1110 N VAL A 72 0.992 -9.935 -1.788 1.00 0.00 N ATOM 1111 CA VAL A 72 -0.220 -10.352 -1.069 1.00 0.00 C ATOM 1112 C VAL A 72 -0.009 -11.713 -0.402 1.00 0.00 C ATOM 1113 O VAL A 72 0.551 -12.627 -1.007 1.00 0.00 O ATOM 1114 CB VAL A 72 -1.442 -10.391 -2.011 1.00 0.00 C ATOM 1115 CG1 VAL A 72 -2.721 -10.820 -1.289 1.00 0.00 C ATOM 1116 CG2 VAL A 72 -1.748 -9.028 -2.647 1.00 0.00 C ATOM 0 H VAL A 72 1.377 -10.678 -2.371 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.420 -9.614 -0.292 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.163 -11.116 -2.776 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.551 -10.831 -1.995 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.586 -11.818 -0.872 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -2.938 -10.117 -0.485 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -2.617 -9.118 -3.299 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.956 -8.299 -1.863 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.889 -8.698 -3.231 1.00 0.00 H new ATOM 1126 N GLU A 73 -0.481 -11.859 0.837 1.00 0.00 N ATOM 1127 CA GLU A 73 -0.357 -13.081 1.647 1.00 0.00 C ATOM 1128 C GLU A 73 -1.620 -13.316 2.504 1.00 0.00 C ATOM 1129 O GLU A 73 -2.318 -12.370 2.882 1.00 0.00 O ATOM 1130 CB GLU A 73 0.905 -12.960 2.530 1.00 0.00 C ATOM 1131 CG GLU A 73 1.574 -14.292 2.917 1.00 0.00 C ATOM 1132 CD GLU A 73 2.427 -14.937 1.802 1.00 0.00 C ATOM 1133 OE1 GLU A 73 2.941 -14.229 0.906 1.00 0.00 O ATOM 1134 OE2 GLU A 73 2.655 -16.171 1.836 1.00 0.00 O ATOM 0 H GLU A 73 -0.975 -11.111 1.323 1.00 0.00 H new ATOM 0 HA GLU A 73 -0.260 -13.945 0.989 1.00 0.00 H new ATOM 0 HB2 GLU A 73 1.636 -12.345 2.006 1.00 0.00 H new ATOM 0 HB3 GLU A 73 0.638 -12.429 3.444 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.207 -14.125 3.788 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.799 -14.998 3.217 1.00 0.00 H new ATOM 1141 N LEU A 74 -1.894 -14.577 2.848 1.00 0.00 N ATOM 1142 CA LEU A 74 -3.074 -15.077 3.559 1.00 0.00 C ATOM 1143 C LEU A 74 -2.680 -15.816 4.851 1.00 0.00 C ATOM 1144 O LEU A 74 -2.180 -16.941 4.789 1.00 0.00 O ATOM 1145 CB LEU A 74 -3.876 -16.037 2.653 1.00 0.00 C ATOM 1146 CG LEU A 74 -4.366 -15.503 1.299 1.00 0.00 C ATOM 1147 CD1 LEU A 74 -5.266 -16.554 0.651 1.00 0.00 C ATOM 1148 CD2 LEU A 74 -5.175 -14.222 1.438 1.00 0.00 C ATOM 0 H LEU A 74 -1.248 -15.332 2.619 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.688 -14.216 3.822 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.257 -16.914 2.463 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.747 -16.377 3.214 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.484 -15.290 0.695 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.620 -16.186 -0.312 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.702 -17.475 0.502 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.119 -16.752 1.300 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.497 -13.887 0.452 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.049 -14.410 2.061 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.559 -13.451 1.900 1.00 0.00 H new ATOM 1160 N GLU A 75 -2.895 -15.213 6.024 1.00 0.00 N ATOM 1161 CA GLU A 75 -2.832 -15.927 7.309 1.00 0.00 C ATOM 1162 C GLU A 75 -4.122 -16.705 7.612 1.00 0.00 C ATOM 1163 O GLU A 75 -5.213 -16.327 7.180 1.00 0.00 O ATOM 1164 CB GLU A 75 -2.493 -14.968 8.469 1.00 0.00 C ATOM 1165 CG GLU A 75 -3.642 -14.051 8.917 1.00 0.00 C ATOM 1166 CD GLU A 75 -3.193 -13.067 10.017 1.00 0.00 C ATOM 1167 OE1 GLU A 75 -2.880 -13.504 11.150 1.00 0.00 O ATOM 1168 OE2 GLU A 75 -3.151 -11.839 9.755 1.00 0.00 O ATOM 0 H GLU A 75 -3.117 -14.221 6.113 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.027 -16.656 7.217 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.167 -15.559 9.325 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -1.649 -14.347 8.171 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.016 -13.492 8.060 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -4.468 -14.658 9.287 1.00 0.00 H new ATOM 1175 N CYS A 76 -4.008 -17.762 8.417 1.00 0.00 N ATOM 1176 CA CYS A 76 -5.144 -18.434 9.045 1.00 0.00 C ATOM 1177 C CYS A 76 -5.654 -17.663 10.288 1.00 0.00 C ATOM 1178 O CYS A 76 -4.925 -16.888 10.915 1.00 0.00 O ATOM 1179 CB CYS A 76 -4.674 -19.836 9.432 1.00 0.00 C ATOM 1180 SG CYS A 76 -6.085 -20.972 9.625 1.00 0.00 S ATOM 0 H CYS A 76 -3.109 -18.181 8.654 1.00 0.00 H new ATOM 0 HA CYS A 76 -5.983 -18.479 8.350 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -3.997 -20.219 8.669 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -4.111 -19.790 10.364 1.00 0.00 H new ATOM 0 HG CYS A 76 -5.815 -22.102 9.041 1.00 0.00 H new ATOM 1185 N LYS A 77 -6.906 -17.932 10.673 1.00 0.00 N ATOM 1186 CA LYS A 77 -7.592 -17.407 11.873 1.00 0.00 C ATOM 1187 C LYS A 77 -6.956 -17.854 13.199 1.00 0.00 C ATOM 1188 O LYS A 77 -6.404 -17.032 13.929 1.00 0.00 O ATOM 1189 CB LYS A 77 -9.086 -17.792 11.833 1.00 0.00 C ATOM 1190 CG LYS A 77 -9.921 -16.928 10.873 1.00 0.00 C ATOM 1191 CD LYS A 77 -10.160 -15.491 11.367 1.00 0.00 C ATOM 1192 CE LYS A 77 -10.957 -15.367 12.676 1.00 0.00 C ATOM 1193 NZ LYS A 77 -12.366 -15.827 12.537 1.00 0.00 N ATOM 0 H LYS A 77 -7.506 -18.554 10.131 1.00 0.00 H new ATOM 0 HA LYS A 77 -7.483 -16.323 11.843 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -9.175 -18.837 11.538 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -9.501 -17.708 12.837 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -9.419 -16.889 9.906 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -10.885 -17.411 10.713 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -9.193 -15.006 11.503 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -10.686 -14.940 10.588 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -10.464 -15.950 13.453 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -10.949 -14.328 13.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -12.857 -15.722 13.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -12.849 -15.254 11.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -12.378 -16.827 12.251 1.00 0.00 H new ATOM 1207 N ASP A 78 -7.072 -19.141 13.533 1.00 0.00 N ATOM 1208 CA ASP A 78 -6.732 -19.734 14.837 1.00 0.00 C ATOM 1209 C ASP A 78 -5.672 -20.845 14.678 1.00 0.00 C ATOM 1210 O ASP A 78 -5.901 -22.024 14.966 1.00 0.00 O ATOM 1211 CB ASP A 78 -8.019 -20.212 15.533 1.00 0.00 C ATOM 1212 CG ASP A 78 -8.888 -19.039 16.015 1.00 0.00 C ATOM 1213 OD1 ASP A 78 -8.531 -18.404 17.036 1.00 0.00 O ATOM 1214 OD2 ASP A 78 -9.942 -18.761 15.393 1.00 0.00 O ATOM 0 H ASP A 78 -7.422 -19.835 12.873 1.00 0.00 H new ATOM 0 HA ASP A 78 -6.276 -18.982 15.480 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -8.595 -20.830 14.844 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -7.758 -20.842 16.383 1.00 0.00 H new ATOM 1219 N CYS A 79 -4.512 -20.435 14.162 1.00 0.00 N ATOM 1220 CA CYS A 79 -3.430 -21.261 13.621 1.00 0.00 C ATOM 1221 C CYS A 79 -2.056 -20.596 13.890 1.00 0.00 C ATOM 1222 O CYS A 79 -1.924 -19.726 14.758 1.00 0.00 O ATOM 1223 CB CYS A 79 -3.727 -21.403 12.119 1.00 0.00 C ATOM 1224 SG CYS A 79 -3.815 -23.109 11.510 1.00 0.00 S ATOM 0 H CYS A 79 -4.287 -19.442 14.107 1.00 0.00 H new ATOM 0 HA CYS A 79 -3.381 -22.242 14.094 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -4.674 -20.907 11.903 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -2.955 -20.874 11.560 1.00 0.00 H new ATOM 0 HG CYS A 79 -3.953 -23.102 10.217 1.00 0.00 H new ATOM 1229 N SER A 80 -1.031 -20.989 13.127 1.00 0.00 N ATOM 1230 CA SER A 80 0.322 -20.394 13.162 1.00 0.00 C ATOM 1231 C SER A 80 1.030 -20.369 11.792 1.00 0.00 C ATOM 1232 O SER A 80 2.260 -20.322 11.712 1.00 0.00 O ATOM 1233 CB SER A 80 1.176 -21.063 14.249 1.00 0.00 C ATOM 1234 OG SER A 80 1.341 -22.455 14.024 1.00 0.00 O ATOM 0 H SER A 80 -1.114 -21.747 12.450 1.00 0.00 H new ATOM 0 HA SER A 80 0.194 -19.343 13.423 1.00 0.00 H new ATOM 0 HB2 SER A 80 2.155 -20.585 14.285 1.00 0.00 H new ATOM 0 HB3 SER A 80 0.709 -20.907 15.222 1.00 0.00 H new ATOM 0 HG SER A 80 1.892 -22.839 14.738 1.00 0.00 H new ATOM 1240 N HIS A 81 0.256 -20.406 10.700 1.00 0.00 N ATOM 1241 CA HIS A 81 0.731 -20.537 9.318 1.00 0.00 C ATOM 1242 C HIS A 81 0.092 -19.495 8.375 1.00 0.00 C ATOM 1243 O HIS A 81 -1.059 -19.083 8.570 1.00 0.00 O ATOM 1244 CB HIS A 81 0.430 -21.976 8.866 1.00 0.00 C ATOM 1245 CG HIS A 81 0.728 -22.229 7.414 1.00 0.00 C ATOM 1246 ND1 HIS A 81 1.979 -22.361 6.850 1.00 0.00 N ATOM 1247 CD2 HIS A 81 -0.196 -22.278 6.407 1.00 0.00 C ATOM 1248 CE1 HIS A 81 1.815 -22.479 5.522 1.00 0.00 C ATOM 1249 NE2 HIS A 81 0.507 -22.431 5.209 1.00 0.00 N ATOM 0 H HIS A 81 -0.760 -20.343 10.758 1.00 0.00 H new ATOM 0 HA HIS A 81 1.802 -20.340 9.275 1.00 0.00 H new ATOM 0 HB2 HIS A 81 1.014 -22.668 9.473 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -0.621 -22.194 9.055 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -1.268 -22.211 6.517 1.00 0.00 H new ATOM 0 HE1 HIS A 81 2.617 -22.596 4.808 1.00 0.00 H new ATOM 0 HE2 HIS A 81 0.105 -22.494 4.274 1.00 0.00 H new ATOM 1257 N VAL A 82 0.831 -19.094 7.330 1.00 0.00 N ATOM 1258 CA VAL A 82 0.377 -18.233 6.227 1.00 0.00 C ATOM 1259 C VAL A 82 0.877 -18.759 4.867 1.00 0.00 C ATOM 1260 O VAL A 82 1.952 -19.362 4.794 1.00 0.00 O ATOM 1261 CB VAL A 82 0.779 -16.749 6.445 1.00 0.00 C ATOM 1262 CG1 VAL A 82 0.759 -16.290 7.913 1.00 0.00 C ATOM 1263 CG2 VAL A 82 2.153 -16.351 5.899 1.00 0.00 C ATOM 0 H VAL A 82 1.806 -19.374 7.226 1.00 0.00 H new ATOM 0 HA VAL A 82 -0.712 -18.269 6.217 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.004 -16.252 5.872 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.053 -15.242 7.971 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.246 -16.408 8.317 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.456 -16.895 8.493 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.334 -15.296 6.104 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.924 -16.952 6.381 1.00 0.00 H new ATOM 0 HG23 VAL A 82 2.180 -16.521 4.823 1.00 0.00 H new ATOM 1273 N PHE A 83 0.139 -18.495 3.783 1.00 0.00 N ATOM 1274 CA PHE A 83 0.515 -18.826 2.395 1.00 0.00 C ATOM 1275 C PHE A 83 0.056 -17.743 1.395 1.00 0.00 C ATOM 1276 O PHE A 83 -0.628 -16.793 1.773 1.00 0.00 O ATOM 1277 CB PHE A 83 -0.018 -20.227 2.031 1.00 0.00 C ATOM 1278 CG PHE A 83 -1.531 -20.376 2.048 1.00 0.00 C ATOM 1279 CD1 PHE A 83 -2.296 -19.953 0.944 1.00 0.00 C ATOM 1280 CD2 PHE A 83 -2.180 -20.944 3.161 1.00 0.00 C ATOM 1281 CE1 PHE A 83 -3.696 -20.063 0.956 1.00 0.00 C ATOM 1282 CE2 PHE A 83 -3.581 -21.037 3.181 1.00 0.00 C ATOM 1283 CZ PHE A 83 -4.343 -20.603 2.082 1.00 0.00 C ATOM 0 H PHE A 83 -0.767 -18.030 3.845 1.00 0.00 H new ATOM 0 HA PHE A 83 1.603 -18.847 2.326 1.00 0.00 H new ATOM 0 HB2 PHE A 83 0.344 -20.487 1.036 1.00 0.00 H new ATOM 0 HB3 PHE A 83 0.409 -20.951 2.725 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.800 -19.539 0.078 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -1.602 -21.307 3.998 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -4.273 -19.734 0.104 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -4.078 -21.446 4.049 1.00 0.00 H new ATOM 0 HZ PHE A 83 -5.420 -20.684 2.102 1.00 0.00 H new ATOM 1293 N LYS A 84 0.405 -17.866 0.106 1.00 0.00 N ATOM 1294 CA LYS A 84 0.088 -16.881 -0.950 1.00 0.00 C ATOM 1295 C LYS A 84 -1.109 -17.314 -1.821 1.00 0.00 C ATOM 1296 O LYS A 84 -1.251 -18.509 -2.098 1.00 0.00 O ATOM 1297 CB LYS A 84 1.335 -16.524 -1.788 1.00 0.00 C ATOM 1298 CG LYS A 84 2.149 -17.691 -2.387 1.00 0.00 C ATOM 1299 CD LYS A 84 3.191 -18.372 -1.473 1.00 0.00 C ATOM 1300 CE LYS A 84 4.506 -17.601 -1.262 1.00 0.00 C ATOM 1301 NZ LYS A 84 4.375 -16.433 -0.353 1.00 0.00 N ATOM 0 H LYS A 84 0.927 -18.669 -0.244 1.00 0.00 H new ATOM 0 HA LYS A 84 -0.226 -15.966 -0.448 1.00 0.00 H new ATOM 0 HB2 LYS A 84 1.016 -15.880 -2.608 1.00 0.00 H new ATOM 0 HB3 LYS A 84 2.004 -15.934 -1.161 1.00 0.00 H new ATOM 0 HG2 LYS A 84 1.447 -18.454 -2.724 1.00 0.00 H new ATOM 0 HG3 LYS A 84 2.667 -17.321 -3.272 1.00 0.00 H new ATOM 0 HD2 LYS A 84 2.733 -18.545 -0.499 1.00 0.00 H new ATOM 0 HD3 LYS A 84 3.429 -19.350 -1.892 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.255 -18.282 -0.858 1.00 0.00 H new ATOM 0 HE3 LYS A 84 4.875 -17.258 -2.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 5.281 -16.265 0.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 4.115 -15.591 -0.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.637 -16.625 0.354 1.00 0.00 H new ATOM 1315 N PRO A 85 -1.982 -16.378 -2.248 1.00 0.00 N ATOM 1316 CA PRO A 85 -3.232 -16.698 -2.947 1.00 0.00 C ATOM 1317 C PRO A 85 -3.032 -17.205 -4.389 1.00 0.00 C ATOM 1318 O PRO A 85 -1.927 -17.163 -4.931 1.00 0.00 O ATOM 1319 CB PRO A 85 -4.046 -15.399 -2.911 1.00 0.00 C ATOM 1320 CG PRO A 85 -2.980 -14.311 -2.882 1.00 0.00 C ATOM 1321 CD PRO A 85 -1.879 -14.938 -2.032 1.00 0.00 C ATOM 0 HA PRO A 85 -3.740 -17.528 -2.456 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -4.691 -15.305 -3.785 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -4.690 -15.353 -2.033 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -2.627 -14.064 -3.883 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -3.356 -13.388 -2.440 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -0.898 -14.567 -2.328 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -2.009 -14.690 -0.979 1.00 0.00 H new ATOM 1329 N ASN A 86 -4.140 -17.659 -4.995 1.00 0.00 N ATOM 1330 CA ASN A 86 -4.355 -18.176 -6.365 1.00 0.00 C ATOM 1331 C ASN A 86 -4.209 -19.712 -6.480 1.00 0.00 C ATOM 1332 O ASN A 86 -4.652 -20.299 -7.468 1.00 0.00 O ATOM 1333 CB ASN A 86 -3.497 -17.420 -7.405 1.00 0.00 C ATOM 1334 CG ASN A 86 -3.935 -17.662 -8.842 1.00 0.00 C ATOM 1335 OD1 ASN A 86 -3.272 -18.337 -9.618 1.00 0.00 O ATOM 1336 ND2 ASN A 86 -5.052 -17.102 -9.254 1.00 0.00 N ATOM 0 H ASN A 86 -5.018 -17.676 -4.475 1.00 0.00 H new ATOM 0 HA ASN A 86 -5.400 -17.973 -6.600 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -3.542 -16.351 -7.194 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -2.456 -17.723 -7.295 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -5.362 -17.231 -10.217 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -5.608 -16.539 -8.610 1.00 0.00 H new ATOM 1405 N GLY A 91 -6.699 -24.692 -1.564 1.00 0.00 N ATOM 1406 CA GLY A 91 -7.381 -23.474 -1.092 1.00 0.00 C ATOM 1407 C GLY A 91 -7.691 -23.450 0.416 1.00 0.00 C ATOM 1408 O GLY A 91 -7.920 -22.381 0.983 1.00 0.00 O ATOM 0 HA2 GLY A 91 -6.762 -22.611 -1.335 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -8.315 -23.361 -1.642 1.00 0.00 H new ATOM 1412 N VAL A 92 -7.705 -24.615 1.069 1.00 0.00 N ATOM 1413 CA VAL A 92 -7.716 -24.774 2.539 1.00 0.00 C ATOM 1414 C VAL A 92 -6.359 -24.405 3.165 1.00 0.00 C ATOM 1415 O VAL A 92 -5.337 -24.371 2.474 1.00 0.00 O ATOM 1416 CB VAL A 92 -8.091 -26.216 2.943 1.00 0.00 C ATOM 1417 CG1 VAL A 92 -9.584 -26.494 2.740 1.00 0.00 C ATOM 1418 CG2 VAL A 92 -7.310 -27.280 2.164 1.00 0.00 C ATOM 0 H VAL A 92 -7.709 -25.509 0.578 1.00 0.00 H new ATOM 0 HA VAL A 92 -8.472 -24.087 2.920 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.831 -26.284 3.999 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -9.807 -27.519 3.036 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -10.169 -25.805 3.350 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -9.840 -26.356 1.690 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -7.619 -28.272 2.494 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -7.512 -27.172 1.098 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -6.243 -27.153 2.345 1.00 0.00 H new ATOM 1428 N CYS A 93 -6.332 -24.170 4.482 1.00 0.00 N ATOM 1429 CA CYS A 93 -5.099 -24.000 5.253 1.00 0.00 C ATOM 1430 C CYS A 93 -4.276 -25.309 5.264 1.00 0.00 C ATOM 1431 O CYS A 93 -4.814 -26.423 5.269 1.00 0.00 O ATOM 1432 CB CYS A 93 -5.462 -23.378 6.618 1.00 0.00 C ATOM 1433 SG CYS A 93 -4.199 -23.582 7.922 1.00 0.00 S ATOM 0 H CYS A 93 -7.177 -24.092 5.048 1.00 0.00 H new ATOM 0 HA CYS A 93 -4.410 -23.293 4.792 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -5.648 -22.313 6.477 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -6.395 -23.821 6.965 1.00 0.00 H new ATOM 0 HG CYS A 93 -3.864 -22.416 8.388 1.00 0.00 H new ATOM 1438 N GLU A 94 -2.948 -25.174 5.183 1.00 0.00 N ATOM 1439 CA GLU A 94 -2.020 -26.310 5.103 1.00 0.00 C ATOM 1440 C GLU A 94 -2.082 -27.186 6.359 1.00 0.00 C ATOM 1441 O GLU A 94 -2.008 -28.416 6.283 1.00 0.00 O ATOM 1442 CB GLU A 94 -0.577 -25.821 4.930 1.00 0.00 C ATOM 1443 CG GLU A 94 -0.295 -25.224 3.550 1.00 0.00 C ATOM 1444 CD GLU A 94 -0.155 -26.317 2.472 1.00 0.00 C ATOM 1445 OE1 GLU A 94 -1.176 -26.715 1.861 1.00 0.00 O ATOM 1446 OE2 GLU A 94 0.982 -26.790 2.227 1.00 0.00 O ATOM 0 H GLU A 94 -2.482 -24.267 5.171 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.325 -26.901 4.239 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -0.362 -25.072 5.692 1.00 0.00 H new ATOM 0 HB3 GLU A 94 0.104 -26.655 5.102 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -1.102 -24.544 3.276 1.00 0.00 H new ATOM 0 HG3 GLU A 94 0.620 -24.633 3.590 1.00 0.00 H new ATOM 1453 N LYS A 95 -2.213 -26.533 7.519 1.00 0.00 N ATOM 1454 CA LYS A 95 -2.363 -27.175 8.833 1.00 0.00 C ATOM 1455 C LYS A 95 -3.781 -27.699 9.071 1.00 0.00 C ATOM 1456 O LYS A 95 -3.952 -28.887 9.355 1.00 0.00 O ATOM 1457 CB LYS A 95 -1.987 -26.200 9.950 1.00 0.00 C ATOM 1458 CG LYS A 95 -0.499 -25.836 9.912 1.00 0.00 C ATOM 1459 CD LYS A 95 -0.117 -24.968 11.113 1.00 0.00 C ATOM 1460 CE LYS A 95 -0.248 -25.746 12.431 1.00 0.00 C ATOM 1461 NZ LYS A 95 0.555 -25.138 13.520 1.00 0.00 N ATOM 0 H LYS A 95 -2.218 -25.514 7.573 1.00 0.00 H new ATOM 0 HA LYS A 95 -1.687 -28.030 8.842 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -2.585 -25.294 9.858 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -2.228 -26.644 10.916 1.00 0.00 H new ATOM 0 HG2 LYS A 95 0.102 -26.745 9.910 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -0.274 -25.304 8.988 1.00 0.00 H new ATOM 0 HD2 LYS A 95 0.908 -24.615 10.997 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -0.756 -24.086 11.144 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -1.296 -25.779 12.729 1.00 0.00 H new ATOM 0 HE3 LYS A 95 0.072 -26.776 12.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 0.095 -25.322 14.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 1.508 -25.553 13.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 0.625 -24.112 13.368 1.00 0.00 H new ATOM 1475 N CYS A 96 -4.771 -26.809 8.994 1.00 0.00 N ATOM 1476 CA CYS A 96 -6.179 -27.077 9.306 1.00 0.00 C ATOM 1477 C CYS A 96 -7.073 -26.992 8.047 1.00 0.00 C ATOM 1478 O CYS A 96 -7.033 -26.023 7.292 1.00 0.00 O ATOM 1479 CB CYS A 96 -6.613 -26.220 10.516 1.00 0.00 C ATOM 1480 SG CYS A 96 -6.915 -24.473 10.175 1.00 0.00 S ATOM 0 H CYS A 96 -4.610 -25.845 8.702 1.00 0.00 H new ATOM 0 HA CYS A 96 -6.311 -28.111 9.624 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -7.522 -26.651 10.935 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -5.843 -26.293 11.284 1.00 0.00 H new ATOM 0 HG CYS A 96 -6.050 -24.045 9.304 1.00 0.00 H new ATOM 1485 N HIS A 97 -7.841 -28.046 7.752 1.00 0.00 N ATOM 1486 CA HIS A 97 -8.515 -28.207 6.453 1.00 0.00 C ATOM 1487 C HIS A 97 -9.813 -27.375 6.311 1.00 0.00 C ATOM 1488 O HIS A 97 -10.904 -27.911 6.089 1.00 0.00 O ATOM 1489 CB HIS A 97 -8.738 -29.695 6.156 1.00 0.00 C ATOM 1490 CG HIS A 97 -7.502 -30.554 6.284 1.00 0.00 C ATOM 1491 ND1 HIS A 97 -7.384 -31.689 7.058 1.00 0.00 N ATOM 1492 CD2 HIS A 97 -6.303 -30.355 5.651 1.00 0.00 C ATOM 1493 CE1 HIS A 97 -6.138 -32.169 6.898 1.00 0.00 C ATOM 1494 NE2 HIS A 97 -5.444 -31.390 6.048 1.00 0.00 N ATOM 0 H HIS A 97 -8.015 -28.812 8.403 1.00 0.00 H new ATOM 0 HA HIS A 97 -7.847 -27.796 5.695 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -9.502 -30.077 6.834 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -9.131 -29.795 5.144 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -6.064 -29.550 4.972 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -5.750 -33.053 7.382 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -4.478 -31.526 5.750 1.00 0.00 H new ATOM 1502 N SER A 98 -9.682 -26.051 6.408 1.00 0.00 N ATOM 1503 CA SER A 98 -10.740 -25.043 6.262 1.00 0.00 C ATOM 1504 C SER A 98 -10.230 -23.837 5.466 1.00 0.00 C ATOM 1505 O SER A 98 -9.028 -23.565 5.430 1.00 0.00 O ATOM 1506 CB SER A 98 -11.223 -24.590 7.648 1.00 0.00 C ATOM 1507 OG SER A 98 -11.957 -25.622 8.291 1.00 0.00 O ATOM 0 H SER A 98 -8.777 -25.624 6.603 1.00 0.00 H new ATOM 0 HA SER A 98 -11.573 -25.489 5.718 1.00 0.00 H new ATOM 0 HB2 SER A 98 -10.367 -24.310 8.262 1.00 0.00 H new ATOM 0 HB3 SER A 98 -11.847 -23.702 7.548 1.00 0.00 H new ATOM 0 HG SER A 98 -12.253 -25.312 9.172 1.00 0.00 H new ATOM 1513 N LYS A 99 -11.139 -23.103 4.814 1.00 0.00 N ATOM 1514 CA LYS A 99 -10.848 -21.985 3.887 1.00 0.00 C ATOM 1515 C LYS A 99 -10.995 -20.598 4.543 1.00 0.00 C ATOM 1516 O LYS A 99 -11.153 -19.586 3.862 1.00 0.00 O ATOM 1517 CB LYS A 99 -11.705 -22.138 2.612 1.00 0.00 C ATOM 1518 CG LYS A 99 -11.657 -23.569 2.041 1.00 0.00 C ATOM 1519 CD LYS A 99 -12.202 -23.685 0.614 1.00 0.00 C ATOM 1520 CE LYS A 99 -11.127 -23.260 -0.389 1.00 0.00 C ATOM 1521 NZ LYS A 99 -11.653 -23.260 -1.781 1.00 0.00 N ATOM 0 H LYS A 99 -12.140 -23.272 4.917 1.00 0.00 H new ATOM 0 HA LYS A 99 -9.796 -22.042 3.607 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -12.738 -21.874 2.838 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -11.355 -21.436 1.855 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -10.626 -23.921 2.056 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -12.229 -24.229 2.693 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -12.512 -24.711 0.416 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -13.086 -23.058 0.501 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -10.764 -22.264 -0.136 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -10.275 -23.937 -0.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -10.900 -22.968 -2.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -11.977 -24.217 -2.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -12.450 -22.596 -1.851 1.00 0.00 H new ATOM 1535 N ASN A 100 -10.966 -20.555 5.878 1.00 0.00 N ATOM 1536 CA ASN A 100 -11.209 -19.396 6.751 1.00 0.00 C ATOM 1537 C ASN A 100 -10.133 -18.284 6.712 1.00 0.00 C ATOM 1538 O ASN A 100 -10.241 -17.309 7.458 1.00 0.00 O ATOM 1539 CB ASN A 100 -11.374 -19.927 8.189 1.00 0.00 C ATOM 1540 CG ASN A 100 -10.110 -20.594 8.716 1.00 0.00 C ATOM 1541 OD1 ASN A 100 -9.997 -21.808 8.733 1.00 0.00 O ATOM 1542 ND2 ASN A 100 -9.119 -19.830 9.112 1.00 0.00 N ATOM 0 H ASN A 100 -10.756 -21.392 6.421 1.00 0.00 H new ATOM 0 HA ASN A 100 -12.106 -18.903 6.377 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -11.647 -19.103 8.848 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -12.196 -20.642 8.216 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -8.248 -20.251 9.436 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -9.219 -18.815 9.095 1.00 0.00 H new ATOM 1549 N VAL A 101 -9.059 -18.454 5.939 1.00 0.00 N ATOM 1550 CA VAL A 101 -7.911 -17.535 5.855 1.00 0.00 C ATOM 1551 C VAL A 101 -8.306 -16.094 5.489 1.00 0.00 C ATOM 1552 O VAL A 101 -9.279 -15.865 4.764 1.00 0.00 O ATOM 1553 CB VAL A 101 -6.858 -18.064 4.859 1.00 0.00 C ATOM 1554 CG1 VAL A 101 -6.244 -19.384 5.335 1.00 0.00 C ATOM 1555 CG2 VAL A 101 -7.411 -18.292 3.444 1.00 0.00 C ATOM 0 H VAL A 101 -8.956 -19.265 5.329 1.00 0.00 H new ATOM 0 HA VAL A 101 -7.482 -17.499 6.857 1.00 0.00 H new ATOM 0 HB VAL A 101 -6.103 -17.279 4.818 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -5.507 -19.726 4.608 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -5.759 -19.233 6.300 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -7.028 -20.134 5.437 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -6.616 -18.664 2.798 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -8.219 -19.023 3.482 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -7.792 -17.351 3.046 1.00 0.00 H new ATOM 1565 N ILE A 102 -7.524 -15.119 5.961 1.00 0.00 N ATOM 1566 CA ILE A 102 -7.701 -13.678 5.707 1.00 0.00 C ATOM 1567 C ILE A 102 -6.418 -13.010 5.187 1.00 0.00 C ATOM 1568 O ILE A 102 -5.308 -13.486 5.425 1.00 0.00 O ATOM 1569 CB ILE A 102 -8.246 -12.929 6.949 1.00 0.00 C ATOM 1570 CG1 ILE A 102 -7.314 -12.945 8.187 1.00 0.00 C ATOM 1571 CG2 ILE A 102 -9.679 -13.379 7.281 1.00 0.00 C ATOM 1572 CD1 ILE A 102 -7.368 -14.186 9.090 1.00 0.00 C ATOM 0 H ILE A 102 -6.718 -15.315 6.554 1.00 0.00 H new ATOM 0 HA ILE A 102 -8.449 -13.604 4.918 1.00 0.00 H new ATOM 0 HB ILE A 102 -8.275 -11.877 6.664 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -6.288 -12.825 7.839 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -7.548 -12.073 8.797 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -10.037 -12.838 8.157 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -10.332 -13.170 6.433 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -9.685 -14.449 7.488 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -6.668 -14.065 9.916 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -8.377 -14.305 9.484 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -7.098 -15.069 8.511 1.00 0.00 H new ATOM 1584 N ILE A 103 -6.571 -11.878 4.492 1.00 0.00 N ATOM 1585 CA ILE A 103 -5.478 -11.102 3.899 1.00 0.00 C ATOM 1586 C ILE A 103 -4.627 -10.474 5.017 1.00 0.00 C ATOM 1587 O ILE A 103 -5.064 -9.530 5.677 1.00 0.00 O ATOM 1588 CB ILE A 103 -5.998 -10.011 2.925 1.00 0.00 C ATOM 1589 CG1 ILE A 103 -7.267 -10.301 2.102 1.00 0.00 C ATOM 1590 CG2 ILE A 103 -4.837 -9.577 2.017 1.00 0.00 C ATOM 1591 CD1 ILE A 103 -7.170 -11.536 1.229 1.00 0.00 C ATOM 0 H ILE A 103 -7.488 -11.464 4.322 1.00 0.00 H new ATOM 0 HA ILE A 103 -4.861 -11.781 3.311 1.00 0.00 H new ATOM 0 HB ILE A 103 -6.348 -9.212 3.579 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -8.110 -10.416 2.783 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -7.482 -9.439 1.471 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -5.184 -8.810 1.325 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -4.028 -9.176 2.628 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -4.475 -10.437 1.454 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -8.104 -11.670 0.683 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -6.349 -11.418 0.521 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -6.987 -12.410 1.854 1.00 0.00 H new ATOM 1603 N THR A 104 -3.421 -10.998 5.254 1.00 0.00 N ATOM 1604 CA THR A 104 -2.498 -10.468 6.283 1.00 0.00 C ATOM 1605 C THR A 104 -1.600 -9.341 5.742 1.00 0.00 C ATOM 1606 O THR A 104 -0.937 -8.624 6.495 1.00 0.00 O ATOM 1607 CB THR A 104 -1.674 -11.616 6.896 1.00 0.00 C ATOM 1608 OG1 THR A 104 -1.077 -11.232 8.112 1.00 0.00 O ATOM 1609 CG2 THR A 104 -0.575 -12.184 6.002 1.00 0.00 C ATOM 0 H THR A 104 -3.050 -11.800 4.744 1.00 0.00 H new ATOM 0 HA THR A 104 -3.100 -10.017 7.072 1.00 0.00 H new ATOM 0 HB THR A 104 -2.415 -12.402 7.042 1.00 0.00 H new ATOM 0 HG1 THR A 104 -1.694 -11.415 8.851 1.00 0.00 H new ATOM 0 HG21 THR A 104 -0.056 -12.986 6.528 1.00 0.00 H new ATOM 0 HG22 THR A 104 -1.017 -12.577 5.087 1.00 0.00 H new ATOM 0 HG23 THR A 104 0.135 -11.395 5.752 1.00 0.00 H new ATOM 1617 N GLN A 105 -1.580 -9.178 4.416 1.00 0.00 N ATOM 1618 CA GLN A 105 -0.646 -8.358 3.649 1.00 0.00 C ATOM 1619 C GLN A 105 -1.281 -8.079 2.285 1.00 0.00 C ATOM 1620 O GLN A 105 -1.678 -9.018 1.597 1.00 0.00 O ATOM 1621 CB GLN A 105 0.670 -9.153 3.524 1.00 0.00 C ATOM 1622 CG GLN A 105 1.624 -8.711 2.408 1.00 0.00 C ATOM 1623 CD GLN A 105 2.042 -7.241 2.479 1.00 0.00 C ATOM 1624 OE1 GLN A 105 2.515 -6.745 3.492 1.00 0.00 O ATOM 1625 NE2 GLN A 105 1.893 -6.503 1.403 1.00 0.00 N ATOM 0 H GLN A 105 -2.259 -9.645 3.815 1.00 0.00 H new ATOM 0 HA GLN A 105 -0.431 -7.402 4.127 1.00 0.00 H new ATOM 0 HB2 GLN A 105 1.201 -9.089 4.474 1.00 0.00 H new ATOM 0 HB3 GLN A 105 0.423 -10.203 3.367 1.00 0.00 H new ATOM 0 HG2 GLN A 105 2.519 -9.333 2.444 1.00 0.00 H new ATOM 0 HG3 GLN A 105 1.147 -8.894 1.445 1.00 0.00 H new ATOM 0 HE21 GLN A 105 1.499 -6.911 0.555 1.00 0.00 H new ATOM 0 HE22 GLN A 105 2.171 -5.522 1.415 1.00 0.00 H new ATOM 1634 N GLY A 106 -1.395 -6.807 1.897 1.00 0.00 N ATOM 1635 CA GLY A 106 -1.939 -6.399 0.597 1.00 0.00 C ATOM 1636 C GLY A 106 -3.470 -6.276 0.545 1.00 0.00 C ATOM 1637 O GLY A 106 -4.051 -6.284 -0.540 1.00 0.00 O ATOM 0 H GLY A 106 -1.109 -6.022 2.482 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -1.503 -5.439 0.322 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -1.621 -7.120 -0.156 1.00 0.00 H new ATOM 1641 N ASN A 107 -4.132 -6.173 1.707 1.00 0.00 N ATOM 1642 CA ASN A 107 -5.585 -5.994 1.836 1.00 0.00 C ATOM 1643 C ASN A 107 -6.097 -4.707 1.155 1.00 0.00 C ATOM 1644 O ASN A 107 -7.181 -4.704 0.569 1.00 0.00 O ATOM 1645 CB ASN A 107 -5.934 -6.016 3.337 1.00 0.00 C ATOM 1646 CG ASN A 107 -7.423 -5.856 3.611 1.00 0.00 C ATOM 1647 OD1 ASN A 107 -7.872 -4.873 4.180 1.00 0.00 O ATOM 1648 ND2 ASN A 107 -8.241 -6.811 3.226 1.00 0.00 N ATOM 0 H ASN A 107 -3.657 -6.213 2.609 1.00 0.00 H new ATOM 0 HA ASN A 107 -6.088 -6.809 1.316 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -5.591 -6.956 3.769 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -5.391 -5.217 3.841 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -9.242 -6.727 3.403 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -7.874 -7.635 2.750 1.00 0.00 H new ATOM 1655 N GLU A 108 -5.306 -3.632 1.203 1.00 0.00 N ATOM 1656 CA GLU A 108 -5.542 -2.356 0.510 1.00 0.00 C ATOM 1657 C GLU A 108 -4.220 -1.759 -0.011 1.00 0.00 C ATOM 1658 O GLU A 108 -3.129 -2.133 0.432 1.00 0.00 O ATOM 1659 CB GLU A 108 -6.220 -1.341 1.455 1.00 0.00 C ATOM 1660 CG GLU A 108 -7.631 -1.744 1.898 1.00 0.00 C ATOM 1661 CD GLU A 108 -8.302 -0.616 2.705 1.00 0.00 C ATOM 1662 OE1 GLU A 108 -8.005 -0.465 3.917 1.00 0.00 O ATOM 1663 OE2 GLU A 108 -9.140 0.126 2.138 1.00 0.00 O ATOM 0 H GLU A 108 -4.445 -3.624 1.749 1.00 0.00 H new ATOM 0 HA GLU A 108 -6.199 -2.557 -0.336 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -5.596 -1.212 2.339 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -6.270 -0.373 0.956 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -8.237 -1.979 1.023 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -7.581 -2.649 2.504 1.00 0.00 H new ATOM 1670 N MET A 109 -4.318 -0.784 -0.921 1.00 0.00 N ATOM 1671 CA MET A 109 -3.215 0.117 -1.281 1.00 0.00 C ATOM 1672 C MET A 109 -2.879 1.081 -0.126 1.00 0.00 C ATOM 1673 O MET A 109 -3.733 1.388 0.714 1.00 0.00 O ATOM 1674 CB MET A 109 -3.575 0.825 -2.606 1.00 0.00 C ATOM 1675 CG MET A 109 -3.039 2.240 -2.863 1.00 0.00 C ATOM 1676 SD MET A 109 -3.912 3.547 -1.958 1.00 0.00 S ATOM 1677 CE MET A 109 -3.345 4.975 -2.909 1.00 0.00 C ATOM 0 H MET A 109 -5.178 -0.595 -1.436 1.00 0.00 H new ATOM 0 HA MET A 109 -2.297 -0.447 -1.445 1.00 0.00 H new ATOM 0 HB2 MET A 109 -3.232 0.190 -3.422 1.00 0.00 H new ATOM 0 HB3 MET A 109 -4.662 0.868 -2.671 1.00 0.00 H new ATOM 0 HG2 MET A 109 -1.983 2.270 -2.593 1.00 0.00 H new ATOM 0 HG3 MET A 109 -3.101 2.451 -3.931 1.00 0.00 H new ATOM 0 HE1 MET A 109 -3.961 5.841 -2.667 1.00 0.00 H new ATOM 0 HE2 MET A 109 -2.305 5.188 -2.661 1.00 0.00 H new ATOM 0 HE3 MET A 109 -3.427 4.758 -3.974 1.00 0.00 H new ATOM 1687 N ARG A 110 -1.635 1.576 -0.097 1.00 0.00 N ATOM 1688 CA ARG A 110 -1.154 2.620 0.828 1.00 0.00 C ATOM 1689 C ARG A 110 -0.017 3.447 0.225 1.00 0.00 C ATOM 1690 O ARG A 110 0.691 2.972 -0.663 1.00 0.00 O ATOM 1691 CB ARG A 110 -0.699 1.968 2.152 1.00 0.00 C ATOM 1692 CG ARG A 110 0.421 0.918 1.984 1.00 0.00 C ATOM 1693 CD ARG A 110 0.996 0.475 3.335 1.00 0.00 C ATOM 1694 NE ARG A 110 1.737 1.573 3.980 1.00 0.00 N ATOM 1695 CZ ARG A 110 2.206 1.629 5.211 1.00 0.00 C ATOM 1696 NH1 ARG A 110 2.077 0.641 6.051 1.00 0.00 N ATOM 1697 NH2 ARG A 110 2.819 2.702 5.616 1.00 0.00 N ATOM 0 H ARG A 110 -0.909 1.253 -0.736 1.00 0.00 H new ATOM 0 HA ARG A 110 -1.981 3.304 1.018 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -0.352 2.749 2.829 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -1.559 1.494 2.626 1.00 0.00 H new ATOM 0 HG2 ARG A 110 0.029 0.050 1.454 1.00 0.00 H new ATOM 0 HG3 ARG A 110 1.219 1.333 1.368 1.00 0.00 H new ATOM 0 HD2 ARG A 110 0.188 0.145 3.987 1.00 0.00 H new ATOM 0 HD3 ARG A 110 1.658 -0.379 3.190 1.00 0.00 H new ATOM 0 HE ARG A 110 1.909 2.394 3.400 1.00 0.00 H new ATOM 0 HH11 ARG A 110 1.600 -0.213 5.764 1.00 0.00 H new ATOM 0 HH12 ARG A 110 2.454 0.722 6.995 1.00 0.00 H new ATOM 0 HH21 ARG A 110 2.934 3.493 4.983 1.00 0.00 H new ATOM 0 HH22 ARG A 110 3.184 2.752 6.567 1.00 0.00 H new ATOM 1711 N LEU A 111 0.241 4.638 0.767 1.00 0.00 N ATOM 1712 CA LEU A 111 1.549 5.290 0.621 1.00 0.00 C ATOM 1713 C LEU A 111 2.631 4.524 1.409 1.00 0.00 C ATOM 1714 O LEU A 111 2.340 3.899 2.434 1.00 0.00 O ATOM 1715 CB LEU A 111 1.471 6.787 0.996 1.00 0.00 C ATOM 1716 CG LEU A 111 1.476 7.156 2.495 1.00 0.00 C ATOM 1717 CD1 LEU A 111 1.479 8.679 2.635 1.00 0.00 C ATOM 1718 CD2 LEU A 111 0.269 6.617 3.267 1.00 0.00 C ATOM 0 H LEU A 111 -0.436 5.173 1.311 1.00 0.00 H new ATOM 0 HA LEU A 111 1.843 5.255 -0.428 1.00 0.00 H new ATOM 0 HB2 LEU A 111 2.312 7.295 0.524 1.00 0.00 H new ATOM 0 HB3 LEU A 111 0.563 7.196 0.554 1.00 0.00 H new ATOM 0 HG LEU A 111 2.369 6.698 2.919 1.00 0.00 H new ATOM 0 HD11 LEU A 111 1.483 8.947 3.691 1.00 0.00 H new ATOM 0 HD12 LEU A 111 2.368 9.087 2.154 1.00 0.00 H new ATOM 0 HD13 LEU A 111 0.588 9.090 2.159 1.00 0.00 H new ATOM 0 HD21 LEU A 111 0.342 6.917 4.312 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -0.648 7.021 2.837 1.00 0.00 H new ATOM 0 HD23 LEU A 111 0.252 5.529 3.202 1.00 0.00 H new ATOM 1730 N LEU A 112 3.879 4.585 0.947 1.00 0.00 N ATOM 1731 CA LEU A 112 5.026 3.876 1.528 1.00 0.00 C ATOM 1732 C LEU A 112 6.084 4.856 2.064 1.00 0.00 C ATOM 1733 O LEU A 112 6.483 4.748 3.225 1.00 0.00 O ATOM 1734 CB LEU A 112 5.607 2.890 0.492 1.00 0.00 C ATOM 1735 CG LEU A 112 4.676 1.720 0.113 1.00 0.00 C ATOM 1736 CD1 LEU A 112 5.313 0.887 -1.002 1.00 0.00 C ATOM 1737 CD2 LEU A 112 4.399 0.780 1.289 1.00 0.00 C ATOM 0 H LEU A 112 4.131 5.146 0.133 1.00 0.00 H new ATOM 0 HA LEU A 112 4.687 3.300 2.389 1.00 0.00 H new ATOM 0 HB2 LEU A 112 5.858 3.443 -0.413 1.00 0.00 H new ATOM 0 HB3 LEU A 112 6.538 2.481 0.884 1.00 0.00 H new ATOM 0 HG LEU A 112 3.735 2.168 -0.207 1.00 0.00 H new ATOM 0 HD11 LEU A 112 4.650 0.063 -1.264 1.00 0.00 H new ATOM 0 HD12 LEU A 112 5.475 1.515 -1.878 1.00 0.00 H new ATOM 0 HD13 LEU A 112 6.268 0.489 -0.659 1.00 0.00 H new ATOM 0 HD21 LEU A 112 3.739 -0.024 0.964 1.00 0.00 H new ATOM 0 HD22 LEU A 112 5.338 0.357 1.646 1.00 0.00 H new ATOM 0 HD23 LEU A 112 3.923 1.337 2.096 1.00 0.00 H new ATOM 1749 N SER A 113 6.520 5.820 1.245 1.00 0.00 N ATOM 1750 CA SER A 113 7.430 6.914 1.631 1.00 0.00 C ATOM 1751 C SER A 113 7.376 8.071 0.618 1.00 0.00 C ATOM 1752 O SER A 113 6.835 7.905 -0.477 1.00 0.00 O ATOM 1753 CB SER A 113 8.868 6.380 1.722 1.00 0.00 C ATOM 1754 OG SER A 113 9.678 7.257 2.490 1.00 0.00 O ATOM 0 H SER A 113 6.243 5.865 0.264 1.00 0.00 H new ATOM 0 HA SER A 113 7.110 7.294 2.601 1.00 0.00 H new ATOM 0 HB2 SER A 113 8.866 5.388 2.174 1.00 0.00 H new ATOM 0 HB3 SER A 113 9.286 6.273 0.721 1.00 0.00 H new ATOM 0 HG SER A 113 10.590 6.901 2.539 1.00 0.00 H new ATOM 1760 N LEU A 114 7.972 9.224 0.939 1.00 0.00 N ATOM 1761 CA LEU A 114 8.197 10.343 0.008 1.00 0.00 C ATOM 1762 C LEU A 114 9.697 10.672 -0.103 1.00 0.00 C ATOM 1763 O LEU A 114 10.501 10.293 0.750 1.00 0.00 O ATOM 1764 CB LEU A 114 7.426 11.624 0.413 1.00 0.00 C ATOM 1765 CG LEU A 114 6.061 11.501 1.120 1.00 0.00 C ATOM 1766 CD1 LEU A 114 5.573 12.891 1.534 1.00 0.00 C ATOM 1767 CD2 LEU A 114 4.984 10.891 0.231 1.00 0.00 C ATOM 0 H LEU A 114 8.322 9.413 1.878 1.00 0.00 H new ATOM 0 HA LEU A 114 7.816 10.012 -0.958 1.00 0.00 H new ATOM 0 HB2 LEU A 114 8.079 12.205 1.064 1.00 0.00 H new ATOM 0 HB3 LEU A 114 7.273 12.212 -0.492 1.00 0.00 H new ATOM 0 HG LEU A 114 6.217 10.847 1.978 1.00 0.00 H new ATOM 0 HD11 LEU A 114 4.608 12.804 2.034 1.00 0.00 H new ATOM 0 HD12 LEU A 114 6.295 13.342 2.215 1.00 0.00 H new ATOM 0 HD13 LEU A 114 5.468 13.518 0.649 1.00 0.00 H new ATOM 0 HD21 LEU A 114 4.047 10.831 0.784 1.00 0.00 H new ATOM 0 HD22 LEU A 114 4.845 11.515 -0.652 1.00 0.00 H new ATOM 0 HD23 LEU A 114 5.289 9.891 -0.076 1.00 0.00 H new ATOM 1779 N GLU A 115 10.060 11.467 -1.108 1.00 0.00 N ATOM 1780 CA GLU A 115 11.374 12.096 -1.268 1.00 0.00 C ATOM 1781 C GLU A 115 11.224 13.583 -1.628 1.00 0.00 C ATOM 1782 O GLU A 115 10.280 13.979 -2.314 1.00 0.00 O ATOM 1783 CB GLU A 115 12.197 11.372 -2.350 1.00 0.00 C ATOM 1784 CG GLU A 115 12.525 9.917 -1.986 1.00 0.00 C ATOM 1785 CD GLU A 115 13.530 9.308 -2.982 1.00 0.00 C ATOM 1786 OE1 GLU A 115 13.103 8.772 -4.033 1.00 0.00 O ATOM 1787 OE2 GLU A 115 14.756 9.352 -2.712 1.00 0.00 O ATOM 0 H GLU A 115 9.420 11.702 -1.867 1.00 0.00 H new ATOM 0 HA GLU A 115 11.902 12.018 -0.318 1.00 0.00 H new ATOM 0 HB2 GLU A 115 11.645 11.389 -3.290 1.00 0.00 H new ATOM 0 HB3 GLU A 115 13.126 11.917 -2.516 1.00 0.00 H new ATOM 0 HG2 GLU A 115 12.937 9.875 -0.978 1.00 0.00 H new ATOM 0 HG3 GLU A 115 11.610 9.325 -1.981 1.00 0.00 H new ATOM 1794 N MET A 116 12.188 14.398 -1.197 1.00 0.00 N ATOM 1795 CA MET A 116 12.320 15.836 -1.464 1.00 0.00 C ATOM 1796 C MET A 116 13.781 16.171 -1.783 1.00 0.00 C ATOM 1797 O MET A 116 14.685 15.800 -1.029 1.00 0.00 O ATOM 1798 CB MET A 116 11.864 16.647 -0.235 1.00 0.00 C ATOM 1799 CG MET A 116 10.409 16.414 0.190 1.00 0.00 C ATOM 1800 SD MET A 116 10.008 17.188 1.780 1.00 0.00 S ATOM 1801 CE MET A 116 8.287 16.664 1.959 1.00 0.00 C ATOM 0 H MET A 116 12.949 14.051 -0.613 1.00 0.00 H new ATOM 0 HA MET A 116 11.692 16.095 -2.317 1.00 0.00 H new ATOM 0 HB2 MET A 116 12.516 16.404 0.604 1.00 0.00 H new ATOM 0 HB3 MET A 116 12.000 17.708 -0.447 1.00 0.00 H new ATOM 0 HG2 MET A 116 9.744 16.808 -0.578 1.00 0.00 H new ATOM 0 HG3 MET A 116 10.222 15.342 0.255 1.00 0.00 H new ATOM 0 HE1 MET A 116 7.953 16.853 2.979 1.00 0.00 H new ATOM 0 HE2 MET A 116 7.662 17.224 1.263 1.00 0.00 H new ATOM 0 HE3 MET A 116 8.207 15.599 1.742 1.00 0.00 H new ATOM 1811 N LEU A 117 14.012 16.862 -2.901 1.00 0.00 N ATOM 1812 CA LEU A 117 15.329 17.270 -3.407 1.00 0.00 C ATOM 1813 C LEU A 117 15.296 18.699 -3.991 1.00 0.00 C ATOM 1814 O LEU A 117 14.226 19.282 -4.183 1.00 0.00 O ATOM 1815 CB LEU A 117 15.791 16.254 -4.475 1.00 0.00 C ATOM 1816 CG LEU A 117 16.218 14.860 -3.973 1.00 0.00 C ATOM 1817 CD1 LEU A 117 16.691 14.017 -5.159 1.00 0.00 C ATOM 1818 CD2 LEU A 117 17.382 14.909 -2.978 1.00 0.00 C ATOM 0 H LEU A 117 13.252 17.168 -3.508 1.00 0.00 H new ATOM 0 HA LEU A 117 16.037 17.281 -2.578 1.00 0.00 H new ATOM 0 HB2 LEU A 117 14.980 16.123 -5.192 1.00 0.00 H new ATOM 0 HB3 LEU A 117 16.629 16.690 -5.018 1.00 0.00 H new ATOM 0 HG LEU A 117 15.346 14.436 -3.476 1.00 0.00 H new ATOM 0 HD11 LEU A 117 16.994 13.031 -4.807 1.00 0.00 H new ATOM 0 HD12 LEU A 117 15.878 13.912 -5.878 1.00 0.00 H new ATOM 0 HD13 LEU A 117 17.539 14.507 -5.638 1.00 0.00 H new ATOM 0 HD21 LEU A 117 17.634 13.896 -2.663 1.00 0.00 H new ATOM 0 HD22 LEU A 117 18.249 15.367 -3.454 1.00 0.00 H new ATOM 0 HD23 LEU A 117 17.092 15.498 -2.108 1.00 0.00 H new