USER MOD reduce.3.24.130724 H: found=0, std=0, add=931, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 926 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 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 90 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 4 HIS : no HD1:sc= 0 X(o=1.1,f=1.1) USER MOD Set 2.2: A 7 SER OG : rot -85:sc= 1.14 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0338 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 16 CYS SG : rot 68:sc= 0.473 USER MOD Single : A 19 HIS : no HD1:sc= -0.0125 X(o=-0.012,f=-0.2) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0.836 K(o=0.84,f=-0.45) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 77:sc= 1.17 USER MOD Single : A 57 SER OG : rot -160:sc= 0 USER MOD Single : A 60 CYS SG : rot -34:sc= -0.165 USER MOD Single : A 61 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00718) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot -39:sc= 0.0459 USER MOD Single : A 81 HIS : no HE2:sc= -0.177 X(o=-0.18,f=-0.58) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 HIS :FLIP no HD1:sc= 0.217 F(o=-1.6!,f=0.22) 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 100 ASN : amide:sc= 0.608 K(o=0.61,f=-1.1) USER MOD Single : A 104 THR OG1 : rot 145:sc= 1.23 USER MOD Single : A 105 GLN : amide:sc= 1.87 K(o=1.9,f=0) USER MOD Single : A 107 ASN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 109 MET CE :methyl -177:sc= -0.849 (180deg=-0.89) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 MET CE :methyl 168:sc= -0.279 (180deg=-0.343) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.147 16.731 -3.094 1.00 0.00 N ATOM 2 CA GLY A 1 -22.208 15.594 -4.038 1.00 0.00 C ATOM 3 C GLY A 1 -21.688 14.320 -3.396 1.00 0.00 C ATOM 4 O GLY A 1 -20.570 14.300 -2.878 1.00 0.00 O ATOM 0 H1 GLY A 1 -22.508 17.588 -3.559 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.728 16.520 -2.258 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.161 16.886 -2.800 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.237 15.445 -4.367 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -21.620 15.823 -4.926 1.00 0.00 H new ATOM 10 N SER A 2 -22.488 13.251 -3.404 1.00 0.00 N ATOM 11 CA SER A 2 -22.168 11.928 -2.840 1.00 0.00 C ATOM 12 C SER A 2 -21.130 11.153 -3.676 1.00 0.00 C ATOM 13 O SER A 2 -21.467 10.344 -4.545 1.00 0.00 O ATOM 14 CB SER A 2 -23.463 11.123 -2.625 1.00 0.00 C ATOM 15 OG SER A 2 -24.355 11.232 -3.730 1.00 0.00 O ATOM 0 H SER A 2 -23.418 13.280 -3.821 1.00 0.00 H new ATOM 0 HA SER A 2 -21.693 12.085 -1.871 1.00 0.00 H new ATOM 0 HB2 SER A 2 -23.214 10.074 -2.464 1.00 0.00 H new ATOM 0 HB3 SER A 2 -23.962 11.475 -1.722 1.00 0.00 H new ATOM 0 HG SER A 2 -25.162 10.705 -3.552 1.00 0.00 H new ATOM 21 N MET A 3 -19.844 11.397 -3.405 1.00 0.00 N ATOM 22 CA MET A 3 -18.692 10.690 -3.989 1.00 0.00 C ATOM 23 C MET A 3 -17.568 10.470 -2.959 1.00 0.00 C ATOM 24 O MET A 3 -17.473 11.200 -1.968 1.00 0.00 O ATOM 25 CB MET A 3 -18.177 11.454 -5.225 1.00 0.00 C ATOM 26 CG MET A 3 -17.622 12.850 -4.907 1.00 0.00 C ATOM 27 SD MET A 3 -17.020 13.749 -6.362 1.00 0.00 S ATOM 28 CE MET A 3 -16.417 15.256 -5.552 1.00 0.00 C ATOM 0 H MET A 3 -19.562 12.122 -2.746 1.00 0.00 H new ATOM 0 HA MET A 3 -19.026 9.701 -4.302 1.00 0.00 H new ATOM 0 HB2 MET A 3 -17.396 10.864 -5.705 1.00 0.00 H new ATOM 0 HB3 MET A 3 -18.990 11.552 -5.944 1.00 0.00 H new ATOM 0 HG2 MET A 3 -18.402 13.439 -4.425 1.00 0.00 H new ATOM 0 HG3 MET A 3 -16.807 12.752 -4.190 1.00 0.00 H new ATOM 0 HE1 MET A 3 -16.007 15.933 -6.302 1.00 0.00 H new ATOM 0 HE2 MET A 3 -17.242 15.745 -5.034 1.00 0.00 H new ATOM 0 HE3 MET A 3 -15.640 14.997 -4.833 1.00 0.00 H new ATOM 38 N HIS A 4 -16.697 9.483 -3.205 1.00 0.00 N ATOM 39 CA HIS A 4 -15.569 9.135 -2.320 1.00 0.00 C ATOM 40 C HIS A 4 -14.281 8.702 -3.060 1.00 0.00 C ATOM 41 O HIS A 4 -13.258 8.455 -2.424 1.00 0.00 O ATOM 42 CB HIS A 4 -16.050 8.059 -1.327 1.00 0.00 C ATOM 43 CG HIS A 4 -15.216 7.967 -0.073 1.00 0.00 C ATOM 44 ND1 HIS A 4 -14.268 7.007 0.211 1.00 0.00 N ATOM 45 CD2 HIS A 4 -15.274 8.820 0.998 1.00 0.00 C ATOM 46 CE1 HIS A 4 -13.755 7.279 1.424 1.00 0.00 C ATOM 47 NE2 HIS A 4 -14.341 8.374 1.944 1.00 0.00 N ATOM 0 H HIS A 4 -16.754 8.893 -4.035 1.00 0.00 H new ATOM 0 HA HIS A 4 -15.271 10.040 -1.791 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -17.083 8.270 -1.050 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -16.046 7.090 -1.826 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -15.921 9.679 1.095 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -12.983 6.702 1.911 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -14.144 8.797 2.851 1.00 0.00 H new ATOM 55 N GLU A 5 -14.280 8.626 -4.396 1.00 0.00 N ATOM 56 CA GLU A 5 -13.129 8.159 -5.199 1.00 0.00 C ATOM 57 C GLU A 5 -11.859 9.008 -4.976 1.00 0.00 C ATOM 58 O GLU A 5 -10.744 8.487 -4.909 1.00 0.00 O ATOM 59 CB GLU A 5 -13.538 8.170 -6.684 1.00 0.00 C ATOM 60 CG GLU A 5 -12.581 7.414 -7.617 1.00 0.00 C ATOM 61 CD GLU A 5 -12.684 5.886 -7.426 1.00 0.00 C ATOM 62 OE1 GLU A 5 -13.549 5.249 -8.074 1.00 0.00 O ATOM 63 OE2 GLU A 5 -11.904 5.313 -6.629 1.00 0.00 O ATOM 0 H GLU A 5 -15.086 8.889 -4.963 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.873 7.149 -4.879 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -14.533 7.735 -6.776 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -13.610 9.205 -7.020 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -12.807 7.667 -8.653 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -11.557 7.736 -7.427 1.00 0.00 H new ATOM 70 N TYR A 6 -12.034 10.321 -4.808 1.00 0.00 N ATOM 71 CA TYR A 6 -10.963 11.300 -4.590 1.00 0.00 C ATOM 72 C TYR A 6 -10.461 11.378 -3.133 1.00 0.00 C ATOM 73 O TYR A 6 -9.602 12.207 -2.831 1.00 0.00 O ATOM 74 CB TYR A 6 -11.439 12.669 -5.103 1.00 0.00 C ATOM 75 CG TYR A 6 -11.889 12.635 -6.554 1.00 0.00 C ATOM 76 CD1 TYR A 6 -10.962 12.299 -7.559 1.00 0.00 C ATOM 77 CD2 TYR A 6 -13.229 12.898 -6.897 1.00 0.00 C ATOM 78 CE1 TYR A 6 -11.369 12.223 -8.904 1.00 0.00 C ATOM 79 CE2 TYR A 6 -13.641 12.829 -8.243 1.00 0.00 C ATOM 80 CZ TYR A 6 -12.710 12.491 -9.251 1.00 0.00 C ATOM 81 OH TYR A 6 -13.096 12.426 -10.556 1.00 0.00 O ATOM 0 H TYR A 6 -12.960 10.749 -4.820 1.00 0.00 H new ATOM 0 HA TYR A 6 -10.092 10.966 -5.154 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -12.263 13.018 -4.481 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -10.631 13.392 -4.996 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -9.934 12.099 -7.296 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -13.942 13.153 -6.127 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -10.655 11.960 -9.670 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -14.669 13.035 -8.504 1.00 0.00 H new ATOM 0 HH TYR A 6 -14.051 12.637 -10.626 1.00 0.00 H new ATOM 91 N SER A 7 -10.958 10.524 -2.227 1.00 0.00 N ATOM 92 CA SER A 7 -10.505 10.433 -0.828 1.00 0.00 C ATOM 93 C SER A 7 -8.990 10.220 -0.722 1.00 0.00 C ATOM 94 O SER A 7 -8.292 11.063 -0.153 1.00 0.00 O ATOM 95 CB SER A 7 -11.264 9.341 -0.061 1.00 0.00 C ATOM 96 OG SER A 7 -11.156 8.081 -0.704 1.00 0.00 O ATOM 0 H SER A 7 -11.702 9.862 -2.449 1.00 0.00 H new ATOM 0 HA SER A 7 -10.732 11.393 -0.364 1.00 0.00 H new ATOM 0 HB2 SER A 7 -10.871 9.268 0.953 1.00 0.00 H new ATOM 0 HB3 SER A 7 -12.315 9.618 0.024 1.00 0.00 H new ATOM 0 HG SER A 7 -11.841 8.010 -1.401 1.00 0.00 H new ATOM 102 N VAL A 8 -8.461 9.144 -1.319 1.00 0.00 N ATOM 103 CA VAL A 8 -7.014 8.858 -1.383 1.00 0.00 C ATOM 104 C VAL A 8 -6.259 10.010 -2.035 1.00 0.00 C ATOM 105 O VAL A 8 -5.238 10.451 -1.514 1.00 0.00 O ATOM 106 CB VAL A 8 -6.663 7.589 -2.184 1.00 0.00 C ATOM 107 CG1 VAL A 8 -5.270 7.089 -1.791 1.00 0.00 C ATOM 108 CG2 VAL A 8 -7.641 6.437 -2.022 1.00 0.00 C ATOM 0 H VAL A 8 -9.031 8.435 -1.779 1.00 0.00 H new ATOM 0 HA VAL A 8 -6.719 8.713 -0.344 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.708 7.898 -3.228 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -5.031 6.192 -2.362 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.532 7.862 -2.004 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.254 6.856 -0.726 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.309 5.591 -2.623 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -7.685 6.142 -0.974 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.631 6.751 -2.353 1.00 0.00 H new ATOM 118 N VAL A 9 -6.768 10.492 -3.175 1.00 0.00 N ATOM 119 CA VAL A 9 -6.143 11.528 -3.996 1.00 0.00 C ATOM 120 C VAL A 9 -5.863 12.784 -3.163 1.00 0.00 C ATOM 121 O VAL A 9 -4.710 13.168 -2.966 1.00 0.00 O ATOM 122 CB VAL A 9 -7.039 11.876 -5.200 1.00 0.00 C ATOM 123 CG1 VAL A 9 -6.434 12.957 -6.095 1.00 0.00 C ATOM 124 CG2 VAL A 9 -7.308 10.662 -6.093 1.00 0.00 C ATOM 0 H VAL A 9 -7.652 10.160 -3.560 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.194 11.141 -4.367 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.965 12.236 -4.752 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -7.109 13.161 -6.926 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.286 13.868 -5.516 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.475 12.614 -6.482 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -7.944 10.958 -6.927 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -6.363 10.275 -6.476 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.809 9.887 -5.512 1.00 0.00 H new ATOM 134 N SER A 10 -6.927 13.396 -2.632 1.00 0.00 N ATOM 135 CA SER A 10 -6.872 14.575 -1.764 1.00 0.00 C ATOM 136 C SER A 10 -6.025 14.323 -0.513 1.00 0.00 C ATOM 137 O SER A 10 -5.210 15.168 -0.145 1.00 0.00 O ATOM 138 CB SER A 10 -8.302 14.985 -1.384 1.00 0.00 C ATOM 139 OG SER A 10 -8.325 16.240 -0.721 1.00 0.00 O ATOM 0 H SER A 10 -7.880 13.073 -2.800 1.00 0.00 H new ATOM 0 HA SER A 10 -6.391 15.387 -2.310 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.918 15.035 -2.282 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.741 14.224 -0.739 1.00 0.00 H new ATOM 0 HG SER A 10 -9.249 16.473 -0.494 1.00 0.00 H new ATOM 145 N SER A 11 -6.170 13.152 0.119 1.00 0.00 N ATOM 146 CA SER A 11 -5.421 12.774 1.330 1.00 0.00 C ATOM 147 C SER A 11 -3.904 12.741 1.092 1.00 0.00 C ATOM 148 O SER A 11 -3.145 13.382 1.823 1.00 0.00 O ATOM 149 CB SER A 11 -5.913 11.420 1.857 1.00 0.00 C ATOM 150 OG SER A 11 -5.263 11.073 3.070 1.00 0.00 O ATOM 0 H SER A 11 -6.817 12.430 -0.197 1.00 0.00 H new ATOM 0 HA SER A 11 -5.609 13.542 2.081 1.00 0.00 H new ATOM 0 HB2 SER A 11 -6.990 11.459 2.017 1.00 0.00 H new ATOM 0 HB3 SER A 11 -5.730 10.648 1.110 1.00 0.00 H new ATOM 0 HG SER A 11 -5.597 10.207 3.384 1.00 0.00 H new ATOM 156 N LEU A 12 -3.448 12.041 0.047 1.00 0.00 N ATOM 157 CA LEU A 12 -2.033 11.941 -0.311 1.00 0.00 C ATOM 158 C LEU A 12 -1.437 13.312 -0.665 1.00 0.00 C ATOM 159 O LEU A 12 -0.367 13.659 -0.175 1.00 0.00 O ATOM 160 CB LEU A 12 -1.875 10.918 -1.451 1.00 0.00 C ATOM 161 CG LEU A 12 -0.415 10.600 -1.829 1.00 0.00 C ATOM 162 CD1 LEU A 12 0.400 10.071 -0.645 1.00 0.00 C ATOM 163 CD2 LEU A 12 -0.410 9.529 -2.920 1.00 0.00 C ATOM 0 H LEU A 12 -4.062 11.522 -0.581 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.467 11.589 0.551 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.372 9.992 -1.162 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.391 11.295 -2.334 1.00 0.00 H new ATOM 0 HG LEU A 12 0.041 11.530 -2.167 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.420 9.864 -0.969 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.416 10.818 0.149 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.055 9.154 -0.271 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.618 9.296 -3.196 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.899 8.629 -2.548 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.945 9.898 -3.795 1.00 0.00 H new ATOM 175 N ILE A 13 -2.136 14.117 -1.469 1.00 0.00 N ATOM 176 CA ILE A 13 -1.707 15.472 -1.862 1.00 0.00 C ATOM 177 C ILE A 13 -1.624 16.419 -0.654 1.00 0.00 C ATOM 178 O ILE A 13 -0.644 17.151 -0.508 1.00 0.00 O ATOM 179 CB ILE A 13 -2.648 16.008 -2.958 1.00 0.00 C ATOM 180 CG1 ILE A 13 -2.467 15.155 -4.233 1.00 0.00 C ATOM 181 CG2 ILE A 13 -2.381 17.491 -3.271 1.00 0.00 C ATOM 182 CD1 ILE A 13 -3.553 15.411 -5.272 1.00 0.00 C ATOM 0 H ILE A 13 -3.032 13.846 -1.875 1.00 0.00 H new ATOM 0 HA ILE A 13 -0.697 15.418 -2.268 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.674 15.936 -2.597 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.492 15.368 -4.672 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -2.471 14.099 -3.962 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.066 17.828 -4.049 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.533 18.086 -2.371 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.354 17.611 -3.616 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -3.375 14.785 -6.146 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.527 15.172 -4.846 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.534 16.460 -5.567 1.00 0.00 H new ATOM 194 N ALA A 14 -2.612 16.380 0.243 1.00 0.00 N ATOM 195 CA ALA A 14 -2.582 17.104 1.515 1.00 0.00 C ATOM 196 C ALA A 14 -1.352 16.732 2.364 1.00 0.00 C ATOM 197 O ALA A 14 -0.669 17.612 2.889 1.00 0.00 O ATOM 198 CB ALA A 14 -3.877 16.819 2.281 1.00 0.00 C ATOM 0 H ALA A 14 -3.465 15.838 0.104 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.504 18.171 1.304 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -3.864 17.354 3.230 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.730 17.151 1.689 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.960 15.749 2.469 1.00 0.00 H new ATOM 204 N LEU A 15 -1.041 15.437 2.468 1.00 0.00 N ATOM 205 CA LEU A 15 0.167 14.933 3.120 1.00 0.00 C ATOM 206 C LEU A 15 1.456 15.403 2.418 1.00 0.00 C ATOM 207 O LEU A 15 2.390 15.799 3.110 1.00 0.00 O ATOM 208 CB LEU A 15 0.079 13.399 3.221 1.00 0.00 C ATOM 209 CG LEU A 15 -0.880 12.894 4.316 1.00 0.00 C ATOM 210 CD1 LEU A 15 -1.086 11.386 4.164 1.00 0.00 C ATOM 211 CD2 LEU A 15 -0.342 13.150 5.728 1.00 0.00 C ATOM 0 H LEU A 15 -1.634 14.697 2.094 1.00 0.00 H new ATOM 0 HA LEU A 15 0.223 15.350 4.126 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.243 13.000 2.259 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.075 13.001 3.414 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.815 13.441 4.192 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.765 11.031 4.940 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.513 11.174 3.184 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.127 10.876 4.260 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.055 12.776 6.462 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.611 12.636 5.853 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.199 14.221 5.874 1.00 0.00 H new ATOM 223 N CYS A 16 1.519 15.431 1.080 1.00 0.00 N ATOM 224 CA CYS A 16 2.633 16.037 0.334 1.00 0.00 C ATOM 225 C CYS A 16 2.863 17.499 0.744 1.00 0.00 C ATOM 226 O CYS A 16 3.970 17.860 1.137 1.00 0.00 O ATOM 227 CB CYS A 16 2.408 15.934 -1.184 1.00 0.00 C ATOM 228 SG CYS A 16 2.385 14.207 -1.734 1.00 0.00 S ATOM 0 H CYS A 16 0.796 15.032 0.481 1.00 0.00 H new ATOM 0 HA CYS A 16 3.531 15.473 0.588 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.465 16.414 -1.447 1.00 0.00 H new ATOM 0 HB3 CYS A 16 3.197 16.474 -1.708 1.00 0.00 H new ATOM 0 HG CYS A 16 1.330 13.614 -1.259 1.00 0.00 H new ATOM 234 N GLU A 17 1.819 18.331 0.680 1.00 0.00 N ATOM 235 CA GLU A 17 1.834 19.738 1.108 1.00 0.00 C ATOM 236 C GLU A 17 2.318 19.895 2.563 1.00 0.00 C ATOM 237 O GLU A 17 3.229 20.682 2.820 1.00 0.00 O ATOM 238 CB GLU A 17 0.437 20.333 0.858 1.00 0.00 C ATOM 239 CG GLU A 17 0.290 21.825 1.184 1.00 0.00 C ATOM 240 CD GLU A 17 1.107 22.761 0.269 1.00 0.00 C ATOM 241 OE1 GLU A 17 0.976 22.678 -0.977 1.00 0.00 O ATOM 242 OE2 GLU A 17 1.845 23.619 0.809 1.00 0.00 O ATOM 0 H GLU A 17 0.912 18.038 0.318 1.00 0.00 H new ATOM 0 HA GLU A 17 2.559 20.300 0.519 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.178 20.180 -0.190 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.288 19.776 1.451 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.763 22.098 1.115 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.595 21.990 2.217 1.00 0.00 H new ATOM 249 N GLU A 18 1.758 19.129 3.505 1.00 0.00 N ATOM 250 CA GLU A 18 2.111 19.152 4.933 1.00 0.00 C ATOM 251 C GLU A 18 3.573 18.756 5.198 1.00 0.00 C ATOM 252 O GLU A 18 4.307 19.508 5.844 1.00 0.00 O ATOM 253 CB GLU A 18 1.118 18.272 5.717 1.00 0.00 C ATOM 254 CG GLU A 18 1.015 18.603 7.215 1.00 0.00 C ATOM 255 CD GLU A 18 2.238 18.191 8.062 1.00 0.00 C ATOM 256 OE1 GLU A 18 2.710 17.035 7.943 1.00 0.00 O ATOM 257 OE2 GLU A 18 2.689 19.005 8.905 1.00 0.00 O ATOM 0 H GLU A 18 1.024 18.454 3.291 1.00 0.00 H new ATOM 0 HA GLU A 18 2.030 20.180 5.286 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.130 18.372 5.267 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.413 17.228 5.608 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.862 19.677 7.324 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.130 18.112 7.620 1.00 0.00 H new ATOM 264 N HIS A 19 4.037 17.619 4.671 1.00 0.00 N ATOM 265 CA HIS A 19 5.438 17.204 4.779 1.00 0.00 C ATOM 266 C HIS A 19 6.392 18.228 4.155 1.00 0.00 C ATOM 267 O HIS A 19 7.438 18.535 4.728 1.00 0.00 O ATOM 268 CB HIS A 19 5.630 15.844 4.097 1.00 0.00 C ATOM 269 CG HIS A 19 4.983 14.688 4.817 1.00 0.00 C ATOM 270 ND1 HIS A 19 4.167 13.726 4.268 1.00 0.00 N ATOM 271 CD2 HIS A 19 5.168 14.373 6.133 1.00 0.00 C ATOM 272 CE1 HIS A 19 3.854 12.849 5.237 1.00 0.00 C ATOM 273 NE2 HIS A 19 4.447 13.200 6.395 1.00 0.00 N ATOM 0 H HIS A 19 3.451 16.960 4.157 1.00 0.00 H new ATOM 0 HA HIS A 19 5.677 17.130 5.840 1.00 0.00 H new ATOM 0 HB2 HIS A 19 5.226 15.898 3.086 1.00 0.00 H new ATOM 0 HB3 HIS A 19 6.698 15.646 4.003 1.00 0.00 H new ATOM 0 HD2 HIS A 19 5.763 14.928 6.844 1.00 0.00 H new ATOM 0 HE1 HIS A 19 3.218 11.986 5.106 1.00 0.00 H new ATOM 0 HE2 HIS A 19 4.384 12.709 7.287 1.00 0.00 H new ATOM 281 N ALA A 20 6.045 18.768 2.985 1.00 0.00 N ATOM 282 CA ALA A 20 6.912 19.681 2.247 1.00 0.00 C ATOM 283 C ALA A 20 7.110 21.017 2.973 1.00 0.00 C ATOM 284 O ALA A 20 8.249 21.465 3.087 1.00 0.00 O ATOM 285 CB ALA A 20 6.361 19.882 0.839 1.00 0.00 C ATOM 0 H ALA A 20 5.154 18.583 2.524 1.00 0.00 H new ATOM 0 HA ALA A 20 7.902 19.229 2.180 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.009 20.564 0.289 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.322 18.923 0.323 1.00 0.00 H new ATOM 0 HB3 ALA A 20 5.357 20.303 0.898 1.00 0.00 H new ATOM 291 N LYS A 21 6.054 21.644 3.510 1.00 0.00 N ATOM 292 CA LYS A 21 6.206 22.862 4.334 1.00 0.00 C ATOM 293 C LYS A 21 6.948 22.602 5.653 1.00 0.00 C ATOM 294 O LYS A 21 7.688 23.471 6.114 1.00 0.00 O ATOM 295 CB LYS A 21 4.845 23.541 4.569 1.00 0.00 C ATOM 296 CG LYS A 21 3.906 22.730 5.476 1.00 0.00 C ATOM 297 CD LYS A 21 2.586 23.447 5.784 1.00 0.00 C ATOM 298 CE LYS A 21 1.729 23.621 4.522 1.00 0.00 C ATOM 299 NZ LYS A 21 0.426 24.267 4.830 1.00 0.00 N ATOM 0 H LYS A 21 5.089 21.334 3.393 1.00 0.00 H new ATOM 0 HA LYS A 21 6.834 23.550 3.768 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.009 24.523 5.014 1.00 0.00 H new ATOM 0 HB3 LYS A 21 4.358 23.704 3.608 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.689 21.774 4.999 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.418 22.510 6.413 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.028 22.879 6.528 1.00 0.00 H new ATOM 0 HD3 LYS A 21 2.795 24.424 6.220 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.271 24.224 3.793 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.554 22.648 4.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.127 24.369 3.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.102 23.679 5.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.593 25.206 5.245 1.00 0.00 H new ATOM 313 N LYS A 22 6.808 21.400 6.232 1.00 0.00 N ATOM 314 CA LYS A 22 7.471 20.986 7.488 1.00 0.00 C ATOM 315 C LYS A 22 8.976 20.836 7.277 1.00 0.00 C ATOM 316 O LYS A 22 9.777 21.307 8.082 1.00 0.00 O ATOM 317 CB LYS A 22 6.791 19.703 8.010 1.00 0.00 C ATOM 318 CG LYS A 22 7.268 19.206 9.388 1.00 0.00 C ATOM 319 CD LYS A 22 8.512 18.299 9.328 1.00 0.00 C ATOM 320 CE LYS A 22 8.828 17.649 10.683 1.00 0.00 C ATOM 321 NZ LYS A 22 9.288 18.635 11.698 1.00 0.00 N ATOM 0 H LYS A 22 6.218 20.669 5.835 1.00 0.00 H new ATOM 0 HA LYS A 22 7.357 21.753 8.254 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.716 19.878 8.060 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.951 18.907 7.282 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.489 20.068 10.018 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.455 18.660 9.868 1.00 0.00 H new ATOM 0 HD2 LYS A 22 8.355 17.520 8.582 1.00 0.00 H new ATOM 0 HD3 LYS A 22 9.370 18.885 9.000 1.00 0.00 H new ATOM 0 HE2 LYS A 22 7.938 17.140 11.054 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.597 16.888 10.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 9.487 18.144 12.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 10.153 19.104 11.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 8.546 19.347 11.852 1.00 0.00 H new ATOM 335 N ASN A 23 9.347 20.229 6.152 1.00 0.00 N ATOM 336 CA ASN A 23 10.733 20.061 5.696 1.00 0.00 C ATOM 337 C ASN A 23 11.296 21.301 4.964 1.00 0.00 C ATOM 338 O ASN A 23 12.450 21.298 4.534 1.00 0.00 O ATOM 339 CB ASN A 23 10.786 18.795 4.820 1.00 0.00 C ATOM 340 CG ASN A 23 12.202 18.273 4.598 1.00 0.00 C ATOM 341 OD1 ASN A 23 13.052 18.296 5.478 1.00 0.00 O ATOM 342 ND2 ASN A 23 12.498 17.759 3.427 1.00 0.00 N ATOM 0 H ASN A 23 8.669 19.824 5.506 1.00 0.00 H new ATOM 0 HA ASN A 23 11.381 19.949 6.565 1.00 0.00 H new ATOM 0 HB2 ASN A 23 10.187 18.013 5.287 1.00 0.00 H new ATOM 0 HB3 ASN A 23 10.330 19.011 3.854 1.00 0.00 H new ATOM 0 HD21 ASN A 23 13.431 17.383 3.256 1.00 0.00 H new ATOM 0 HD22 ASN A 23 11.795 17.736 2.688 1.00 0.00 H new ATOM 349 N GLN A 24 10.490 22.361 4.818 1.00 0.00 N ATOM 350 CA GLN A 24 10.792 23.607 4.094 1.00 0.00 C ATOM 351 C GLN A 24 11.226 23.359 2.630 1.00 0.00 C ATOM 352 O GLN A 24 12.033 24.098 2.058 1.00 0.00 O ATOM 353 CB GLN A 24 11.785 24.459 4.913 1.00 0.00 C ATOM 354 CG GLN A 24 11.250 24.834 6.307 1.00 0.00 C ATOM 355 CD GLN A 24 12.370 25.324 7.219 1.00 0.00 C ATOM 356 OE1 GLN A 24 12.690 26.505 7.292 1.00 0.00 O ATOM 357 NE2 GLN A 24 13.016 24.433 7.946 1.00 0.00 N ATOM 0 H GLN A 24 9.555 22.374 5.225 1.00 0.00 H new ATOM 0 HA GLN A 24 9.874 24.187 3.997 1.00 0.00 H new ATOM 0 HB2 GLN A 24 12.720 23.910 5.025 1.00 0.00 H new ATOM 0 HB3 GLN A 24 12.014 25.370 4.361 1.00 0.00 H new ATOM 0 HG2 GLN A 24 10.491 25.611 6.210 1.00 0.00 H new ATOM 0 HG3 GLN A 24 10.765 23.968 6.757 1.00 0.00 H new ATOM 0 HE21 GLN A 24 12.758 23.448 7.893 1.00 0.00 H new ATOM 0 HE22 GLN A 24 13.774 24.729 8.561 1.00 0.00 H new ATOM 366 N ALA A 25 10.711 22.282 2.027 1.00 0.00 N ATOM 367 CA ALA A 25 11.013 21.842 0.667 1.00 0.00 C ATOM 368 C ALA A 25 10.243 22.644 -0.401 1.00 0.00 C ATOM 369 O ALA A 25 10.795 22.960 -1.454 1.00 0.00 O ATOM 370 CB ALA A 25 10.681 20.346 0.576 1.00 0.00 C ATOM 0 H ALA A 25 10.044 21.669 2.496 1.00 0.00 H new ATOM 0 HA ALA A 25 12.069 22.017 0.462 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.896 19.986 -0.430 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.286 19.795 1.296 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.625 20.194 0.798 1.00 0.00 H new ATOM 376 N HIS A 26 8.970 22.968 -0.133 1.00 0.00 N ATOM 377 CA HIS A 26 8.024 23.692 -1.007 1.00 0.00 C ATOM 378 C HIS A 26 7.787 23.082 -2.415 1.00 0.00 C ATOM 379 O HIS A 26 7.136 23.697 -3.261 1.00 0.00 O ATOM 380 CB HIS A 26 8.389 25.188 -1.038 1.00 0.00 C ATOM 381 CG HIS A 26 8.496 25.797 0.341 1.00 0.00 C ATOM 382 ND1 HIS A 26 7.445 26.102 1.180 1.00 0.00 N ATOM 383 CD2 HIS A 26 9.657 26.101 1.003 1.00 0.00 C ATOM 384 CE1 HIS A 26 7.959 26.580 2.327 1.00 0.00 C ATOM 385 NE2 HIS A 26 9.302 26.593 2.266 1.00 0.00 N ATOM 0 H HIS A 26 8.541 22.717 0.758 1.00 0.00 H new ATOM 0 HA HIS A 26 7.041 23.572 -0.552 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.338 25.314 -1.560 1.00 0.00 H new ATOM 0 HB3 HIS A 26 7.636 25.729 -1.611 1.00 0.00 H new ATOM 0 HD2 HIS A 26 10.660 25.983 0.621 1.00 0.00 H new ATOM 0 HE1 HIS A 26 7.376 26.907 3.176 1.00 0.00 H new ATOM 0 HE2 HIS A 26 9.940 26.902 2.999 1.00 0.00 H new ATOM 393 N LYS A 27 8.275 21.859 -2.657 1.00 0.00 N ATOM 394 CA LYS A 27 8.060 20.974 -3.820 1.00 0.00 C ATOM 395 C LYS A 27 8.478 19.541 -3.467 1.00 0.00 C ATOM 396 O LYS A 27 9.039 19.307 -2.395 1.00 0.00 O ATOM 397 CB LYS A 27 8.789 21.516 -5.063 1.00 0.00 C ATOM 398 CG LYS A 27 10.311 21.623 -4.902 1.00 0.00 C ATOM 399 CD LYS A 27 10.923 22.591 -5.926 1.00 0.00 C ATOM 400 CE LYS A 27 10.725 22.197 -7.397 1.00 0.00 C ATOM 401 NZ LYS A 27 11.466 20.959 -7.763 1.00 0.00 N ATOM 0 H LYS A 27 8.893 21.416 -1.978 1.00 0.00 H new ATOM 0 HA LYS A 27 6.999 20.954 -4.070 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.569 20.867 -5.911 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.390 22.501 -5.304 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.547 21.962 -3.894 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.760 20.637 -5.020 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.492 23.580 -5.770 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.992 22.675 -5.729 1.00 0.00 H new ATOM 0 HE2 LYS A 27 9.662 22.050 -7.590 1.00 0.00 H new ATOM 0 HE3 LYS A 27 11.055 23.016 -8.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 11.298 20.738 -8.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 12.484 21.104 -7.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 11.134 20.169 -7.174 1.00 0.00 H new ATOM 415 N ILE A 28 8.218 18.588 -4.358 1.00 0.00 N ATOM 416 CA ILE A 28 8.481 17.151 -4.184 1.00 0.00 C ATOM 417 C ILE A 28 9.513 16.687 -5.237 1.00 0.00 C ATOM 418 O ILE A 28 9.803 17.394 -6.204 1.00 0.00 O ATOM 419 CB ILE A 28 7.121 16.400 -4.256 1.00 0.00 C ATOM 420 CG1 ILE A 28 6.059 16.923 -3.253 1.00 0.00 C ATOM 421 CG2 ILE A 28 7.232 14.875 -4.090 1.00 0.00 C ATOM 422 CD1 ILE A 28 6.406 16.744 -1.769 1.00 0.00 C ATOM 0 H ILE A 28 7.799 18.800 -5.264 1.00 0.00 H new ATOM 0 HA ILE A 28 8.924 16.929 -3.213 1.00 0.00 H new ATOM 0 HB ILE A 28 6.789 16.618 -5.271 1.00 0.00 H new ATOM 0 HG12 ILE A 28 5.895 17.984 -3.444 1.00 0.00 H new ATOM 0 HG13 ILE A 28 5.116 16.414 -3.451 1.00 0.00 H new ATOM 0 HG21 ILE A 28 6.239 14.429 -4.153 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.863 14.468 -4.880 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.672 14.646 -3.119 1.00 0.00 H new ATOM 0 HD11 ILE A 28 5.598 17.143 -1.156 1.00 0.00 H new ATOM 0 HD12 ILE A 28 6.538 15.684 -1.551 1.00 0.00 H new ATOM 0 HD13 ILE A 28 7.329 17.278 -1.544 1.00 0.00 H new ATOM 434 N GLU A 29 10.084 15.494 -5.063 1.00 0.00 N ATOM 435 CA GLU A 29 10.795 14.752 -6.115 1.00 0.00 C ATOM 436 C GLU A 29 9.952 13.542 -6.544 1.00 0.00 C ATOM 437 O GLU A 29 9.504 13.485 -7.690 1.00 0.00 O ATOM 438 CB GLU A 29 12.210 14.366 -5.637 1.00 0.00 C ATOM 439 CG GLU A 29 13.021 13.481 -6.599 1.00 0.00 C ATOM 440 CD GLU A 29 13.564 14.231 -7.833 1.00 0.00 C ATOM 441 OE1 GLU A 29 12.763 14.785 -8.623 1.00 0.00 O ATOM 442 OE2 GLU A 29 14.801 14.238 -8.041 1.00 0.00 O ATOM 0 H GLU A 29 10.067 15.003 -4.169 1.00 0.00 H new ATOM 0 HA GLU A 29 10.931 15.381 -6.995 1.00 0.00 H new ATOM 0 HB2 GLU A 29 12.773 15.281 -5.452 1.00 0.00 H new ATOM 0 HB3 GLU A 29 12.122 13.847 -4.682 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.858 13.043 -6.055 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.393 12.656 -6.935 1.00 0.00 H new ATOM 449 N ARG A 30 9.700 12.591 -5.629 1.00 0.00 N ATOM 450 CA ARG A 30 8.985 11.333 -5.913 1.00 0.00 C ATOM 451 C ARG A 30 8.249 10.786 -4.687 1.00 0.00 C ATOM 452 O ARG A 30 8.863 10.236 -3.776 1.00 0.00 O ATOM 453 CB ARG A 30 9.988 10.314 -6.491 1.00 0.00 C ATOM 454 CG ARG A 30 9.309 9.031 -6.999 1.00 0.00 C ATOM 455 CD ARG A 30 10.318 8.108 -7.699 1.00 0.00 C ATOM 456 NE ARG A 30 11.297 7.535 -6.753 1.00 0.00 N ATOM 457 CZ ARG A 30 12.366 6.819 -7.054 1.00 0.00 C ATOM 458 NH1 ARG A 30 12.680 6.526 -8.285 1.00 0.00 N ATOM 459 NH2 ARG A 30 13.152 6.378 -6.116 1.00 0.00 N ATOM 0 H ARG A 30 9.992 12.675 -4.655 1.00 0.00 H new ATOM 0 HA ARG A 30 8.206 11.529 -6.649 1.00 0.00 H new ATOM 0 HB2 ARG A 30 10.538 10.777 -7.310 1.00 0.00 H new ATOM 0 HB3 ARG A 30 10.718 10.054 -5.724 1.00 0.00 H new ATOM 0 HG2 ARG A 30 8.850 8.504 -6.163 1.00 0.00 H new ATOM 0 HG3 ARG A 30 8.508 9.290 -7.691 1.00 0.00 H new ATOM 0 HD2 ARG A 30 9.783 7.301 -8.200 1.00 0.00 H new ATOM 0 HD3 ARG A 30 10.846 8.668 -8.471 1.00 0.00 H new ATOM 0 HE ARG A 30 11.130 7.711 -5.762 1.00 0.00 H new ATOM 0 HH11 ARG A 30 12.093 6.852 -9.053 1.00 0.00 H new ATOM 0 HH12 ARG A 30 13.513 5.971 -8.481 1.00 0.00 H new ATOM 0 HH21 ARG A 30 12.945 6.584 -5.139 1.00 0.00 H new ATOM 0 HH22 ARG A 30 13.975 5.826 -6.358 1.00 0.00 H new ATOM 473 N VAL A 31 6.926 10.913 -4.665 1.00 0.00 N ATOM 474 CA VAL A 31 6.041 10.142 -3.778 1.00 0.00 C ATOM 475 C VAL A 31 6.125 8.659 -4.152 1.00 0.00 C ATOM 476 O VAL A 31 6.220 8.314 -5.330 1.00 0.00 O ATOM 477 CB VAL A 31 4.584 10.624 -3.899 1.00 0.00 C ATOM 478 CG1 VAL A 31 3.658 9.953 -2.877 1.00 0.00 C ATOM 479 CG2 VAL A 31 4.453 12.140 -3.728 1.00 0.00 C ATOM 0 H VAL A 31 6.424 11.563 -5.270 1.00 0.00 H new ATOM 0 HA VAL A 31 6.364 10.288 -2.747 1.00 0.00 H new ATOM 0 HB VAL A 31 4.281 10.342 -4.907 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.643 10.328 -3.005 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.668 8.874 -3.030 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.004 10.180 -1.869 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.406 12.428 -3.822 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.821 12.428 -2.743 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.038 12.645 -4.496 1.00 0.00 H new ATOM 489 N VAL A 32 6.056 7.772 -3.165 1.00 0.00 N ATOM 490 CA VAL A 32 6.103 6.313 -3.325 1.00 0.00 C ATOM 491 C VAL A 32 4.898 5.706 -2.610 1.00 0.00 C ATOM 492 O VAL A 32 4.680 5.962 -1.424 1.00 0.00 O ATOM 493 CB VAL A 32 7.427 5.729 -2.791 1.00 0.00 C ATOM 494 CG1 VAL A 32 7.554 4.248 -3.158 1.00 0.00 C ATOM 495 CG2 VAL A 32 8.662 6.450 -3.355 1.00 0.00 C ATOM 0 H VAL A 32 5.962 8.056 -2.190 1.00 0.00 H new ATOM 0 HA VAL A 32 6.060 6.063 -4.385 1.00 0.00 H new ATOM 0 HB VAL A 32 7.395 5.865 -1.710 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.495 3.857 -2.771 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.724 3.693 -2.722 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.534 4.139 -4.242 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.566 5.998 -2.946 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.671 6.360 -4.441 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.626 7.504 -3.078 1.00 0.00 H new ATOM 505 N VAL A 33 4.107 4.915 -3.332 1.00 0.00 N ATOM 506 CA VAL A 33 2.877 4.264 -2.844 1.00 0.00 C ATOM 507 C VAL A 33 2.947 2.753 -3.067 1.00 0.00 C ATOM 508 O VAL A 33 3.491 2.296 -4.068 1.00 0.00 O ATOM 509 CB VAL A 33 1.636 4.907 -3.508 1.00 0.00 C ATOM 510 CG1 VAL A 33 1.533 4.618 -5.008 1.00 0.00 C ATOM 511 CG2 VAL A 33 0.316 4.483 -2.855 1.00 0.00 C ATOM 0 H VAL A 33 4.305 4.697 -4.309 1.00 0.00 H new ATOM 0 HA VAL A 33 2.785 4.420 -1.769 1.00 0.00 H new ATOM 0 HB VAL A 33 1.790 5.976 -3.357 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.641 5.098 -5.411 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.415 5.008 -5.515 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.469 3.542 -5.168 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.515 4.968 -3.367 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.205 3.401 -2.928 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.318 4.778 -1.806 1.00 0.00 H new ATOM 521 N GLY A 34 2.394 1.968 -2.148 1.00 0.00 N ATOM 522 CA GLY A 34 2.256 0.517 -2.253 1.00 0.00 C ATOM 523 C GLY A 34 0.824 0.117 -2.604 1.00 0.00 C ATOM 524 O GLY A 34 -0.126 0.557 -1.952 1.00 0.00 O ATOM 0 H GLY A 34 2.015 2.338 -1.276 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.938 0.139 -3.015 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.544 0.053 -1.309 1.00 0.00 H new ATOM 528 N ILE A 35 0.658 -0.714 -3.636 1.00 0.00 N ATOM 529 CA ILE A 35 -0.622 -1.321 -4.028 1.00 0.00 C ATOM 530 C ILE A 35 -0.424 -2.837 -4.145 1.00 0.00 C ATOM 531 O ILE A 35 0.498 -3.302 -4.819 1.00 0.00 O ATOM 532 CB ILE A 35 -1.186 -0.705 -5.332 1.00 0.00 C ATOM 533 CG1 ILE A 35 -1.313 0.835 -5.234 1.00 0.00 C ATOM 534 CG2 ILE A 35 -2.560 -1.333 -5.633 1.00 0.00 C ATOM 535 CD1 ILE A 35 -1.970 1.504 -6.450 1.00 0.00 C ATOM 0 H ILE A 35 1.431 -0.993 -4.241 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.369 -1.112 -3.262 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.490 -0.921 -6.142 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.892 1.082 -4.344 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.319 1.260 -5.096 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.963 -0.904 -6.550 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.449 -2.410 -5.755 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.242 -1.130 -4.807 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.016 2.581 -6.292 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.382 1.293 -7.343 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.979 1.113 -6.579 1.00 0.00 H new ATOM 547 N GLY A 36 -1.276 -3.607 -3.465 1.00 0.00 N ATOM 548 CA GLY A 36 -1.230 -5.073 -3.448 1.00 0.00 C ATOM 549 C GLY A 36 -1.464 -5.698 -4.826 1.00 0.00 C ATOM 550 O GLY A 36 -2.300 -5.231 -5.601 1.00 0.00 O ATOM 0 H GLY A 36 -2.033 -3.223 -2.899 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -0.260 -5.396 -3.069 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.983 -5.446 -2.754 1.00 0.00 H new ATOM 554 N GLU A 37 -0.774 -6.800 -5.128 1.00 0.00 N ATOM 555 CA GLU A 37 -0.833 -7.467 -6.437 1.00 0.00 C ATOM 556 C GLU A 37 -2.203 -8.115 -6.725 1.00 0.00 C ATOM 557 O GLU A 37 -2.500 -8.456 -7.872 1.00 0.00 O ATOM 558 CB GLU A 37 0.318 -8.480 -6.592 1.00 0.00 C ATOM 559 CG GLU A 37 0.277 -9.653 -5.605 1.00 0.00 C ATOM 560 CD GLU A 37 1.282 -10.753 -6.000 1.00 0.00 C ATOM 561 OE1 GLU A 37 0.954 -11.586 -6.880 1.00 0.00 O ATOM 562 OE2 GLU A 37 2.389 -10.811 -5.414 1.00 0.00 O ATOM 0 H GLU A 37 -0.151 -7.262 -4.466 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.707 -6.689 -7.190 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.301 -8.876 -7.607 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.265 -7.954 -6.471 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.503 -9.294 -4.601 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.729 -10.071 -5.575 1.00 0.00 H new ATOM 569 N ARG A 38 -3.057 -8.244 -5.693 1.00 0.00 N ATOM 570 CA ARG A 38 -4.443 -8.728 -5.765 1.00 0.00 C ATOM 571 C ARG A 38 -5.500 -7.661 -5.434 1.00 0.00 C ATOM 572 O ARG A 38 -6.692 -7.969 -5.439 1.00 0.00 O ATOM 573 CB ARG A 38 -4.611 -9.993 -4.897 1.00 0.00 C ATOM 574 CG ARG A 38 -3.713 -11.184 -5.280 1.00 0.00 C ATOM 575 CD ARG A 38 -3.894 -11.644 -6.734 1.00 0.00 C ATOM 576 NE ARG A 38 -2.954 -12.725 -7.085 1.00 0.00 N ATOM 577 CZ ARG A 38 -2.839 -13.321 -8.259 1.00 0.00 C ATOM 578 NH1 ARG A 38 -3.622 -13.034 -9.261 1.00 0.00 N ATOM 579 NH2 ARG A 38 -1.926 -14.229 -8.454 1.00 0.00 N ATOM 0 H ARG A 38 -2.783 -8.001 -4.741 1.00 0.00 H new ATOM 0 HA ARG A 38 -4.628 -8.985 -6.808 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -4.411 -9.729 -3.859 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -5.652 -10.313 -4.950 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.670 -10.909 -5.121 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -3.927 -12.019 -4.613 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -4.917 -11.989 -6.882 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -3.743 -10.798 -7.405 1.00 0.00 H new ATOM 0 HE ARG A 38 -2.328 -13.046 -6.346 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -4.352 -12.330 -9.153 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -3.505 -13.514 -10.153 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -1.292 -14.486 -7.697 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -1.845 -14.684 -9.363 1.00 0.00 H new ATOM 593 N SER A 39 -5.098 -6.406 -5.208 1.00 0.00 N ATOM 594 CA SER A 39 -6.022 -5.266 -5.054 1.00 0.00 C ATOM 595 C SER A 39 -6.801 -4.937 -6.340 1.00 0.00 C ATOM 596 O SER A 39 -7.842 -4.282 -6.272 1.00 0.00 O ATOM 597 CB SER A 39 -5.259 -4.012 -4.612 1.00 0.00 C ATOM 598 OG SER A 39 -4.682 -4.193 -3.330 1.00 0.00 O ATOM 0 H SER A 39 -4.115 -6.146 -5.125 1.00 0.00 H new ATOM 0 HA SER A 39 -6.743 -5.568 -4.294 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.478 -3.783 -5.337 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.936 -3.158 -4.593 1.00 0.00 H new ATOM 0 HG SER A 39 -4.199 -3.380 -3.071 1.00 0.00 H new ATOM 604 N ALA A 40 -6.316 -5.390 -7.508 1.00 0.00 N ATOM 605 CA ALA A 40 -6.897 -5.212 -8.849 1.00 0.00 C ATOM 606 C ALA A 40 -7.139 -3.742 -9.284 1.00 0.00 C ATOM 607 O ALA A 40 -7.877 -3.480 -10.238 1.00 0.00 O ATOM 608 CB ALA A 40 -8.136 -6.115 -8.974 1.00 0.00 C ATOM 0 H ALA A 40 -5.449 -5.926 -7.543 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.148 -5.528 -9.575 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.577 -5.993 -9.963 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.844 -7.156 -8.833 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.867 -5.837 -8.214 1.00 0.00 H new ATOM 614 N MET A 41 -6.523 -2.775 -8.593 1.00 0.00 N ATOM 615 CA MET A 41 -6.607 -1.339 -8.878 1.00 0.00 C ATOM 616 C MET A 41 -5.807 -0.970 -10.136 1.00 0.00 C ATOM 617 O MET A 41 -4.695 -1.458 -10.353 1.00 0.00 O ATOM 618 CB MET A 41 -6.057 -0.546 -7.683 1.00 0.00 C ATOM 619 CG MET A 41 -6.886 -0.739 -6.409 1.00 0.00 C ATOM 620 SD MET A 41 -6.129 -0.010 -4.936 1.00 0.00 S ATOM 621 CE MET A 41 -7.352 -0.496 -3.692 1.00 0.00 C ATOM 0 H MET A 41 -5.930 -2.980 -7.789 1.00 0.00 H new ATOM 0 HA MET A 41 -7.654 -1.090 -9.049 1.00 0.00 H new ATOM 0 HB2 MET A 41 -5.029 -0.853 -7.492 1.00 0.00 H new ATOM 0 HB3 MET A 41 -6.031 0.514 -7.937 1.00 0.00 H new ATOM 0 HG2 MET A 41 -7.872 -0.298 -6.557 1.00 0.00 H new ATOM 0 HG3 MET A 41 -7.035 -1.805 -6.241 1.00 0.00 H new ATOM 0 HE1 MET A 41 -7.043 -0.127 -2.714 1.00 0.00 H new ATOM 0 HE2 MET A 41 -8.322 -0.072 -3.950 1.00 0.00 H new ATOM 0 HE3 MET A 41 -7.428 -1.583 -3.662 1.00 0.00 H new ATOM 631 N ASP A 42 -6.344 -0.059 -10.946 1.00 0.00 N ATOM 632 CA ASP A 42 -5.636 0.561 -12.069 1.00 0.00 C ATOM 633 C ASP A 42 -4.623 1.605 -11.564 1.00 0.00 C ATOM 634 O ASP A 42 -4.963 2.768 -11.334 1.00 0.00 O ATOM 635 CB ASP A 42 -6.641 1.173 -13.058 1.00 0.00 C ATOM 636 CG ASP A 42 -7.412 0.095 -13.836 1.00 0.00 C ATOM 637 OD1 ASP A 42 -6.807 -0.560 -14.718 1.00 0.00 O ATOM 638 OD2 ASP A 42 -8.628 -0.088 -13.585 1.00 0.00 O ATOM 0 H ASP A 42 -7.301 0.276 -10.840 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.073 -0.207 -12.599 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -7.346 1.803 -12.515 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -6.112 1.818 -13.760 1.00 0.00 H new ATOM 643 N LYS A 43 -3.354 1.207 -11.401 1.00 0.00 N ATOM 644 CA LYS A 43 -2.243 2.095 -10.998 1.00 0.00 C ATOM 645 C LYS A 43 -2.111 3.351 -11.878 1.00 0.00 C ATOM 646 O LYS A 43 -1.858 4.443 -11.371 1.00 0.00 O ATOM 647 CB LYS A 43 -0.938 1.278 -10.924 1.00 0.00 C ATOM 648 CG LYS A 43 -0.429 0.757 -12.280 1.00 0.00 C ATOM 649 CD LYS A 43 0.677 -0.307 -12.174 1.00 0.00 C ATOM 650 CE LYS A 43 1.927 0.213 -11.452 1.00 0.00 C ATOM 651 NZ LYS A 43 3.025 -0.792 -11.442 1.00 0.00 N ATOM 0 H LYS A 43 -3.060 0.241 -11.547 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.468 2.487 -10.006 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.162 1.897 -10.474 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.094 0.429 -10.259 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.269 0.337 -12.833 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.053 1.599 -12.862 1.00 0.00 H new ATOM 0 HD2 LYS A 43 0.290 -1.177 -11.643 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.952 -0.641 -13.174 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.274 1.124 -11.939 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.669 0.478 -10.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.850 -0.400 -10.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.704 -1.653 -10.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.290 -1.027 -12.420 1.00 0.00 H new ATOM 665 N SER A 44 -2.357 3.198 -13.183 1.00 0.00 N ATOM 666 CA SER A 44 -2.410 4.277 -14.182 1.00 0.00 C ATOM 667 C SER A 44 -3.539 5.284 -13.905 1.00 0.00 C ATOM 668 O SER A 44 -3.333 6.493 -14.019 1.00 0.00 O ATOM 669 CB SER A 44 -2.564 3.671 -15.585 1.00 0.00 C ATOM 670 OG SER A 44 -2.336 4.639 -16.597 1.00 0.00 O ATOM 0 H SER A 44 -2.533 2.280 -13.592 1.00 0.00 H new ATOM 0 HA SER A 44 -1.474 4.832 -14.118 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.862 2.845 -15.705 1.00 0.00 H new ATOM 0 HB3 SER A 44 -3.566 3.256 -15.696 1.00 0.00 H new ATOM 0 HG SER A 44 -2.440 4.222 -17.478 1.00 0.00 H new ATOM 676 N LEU A 45 -4.721 4.811 -13.488 1.00 0.00 N ATOM 677 CA LEU A 45 -5.830 5.662 -13.039 1.00 0.00 C ATOM 678 C LEU A 45 -5.423 6.437 -11.780 1.00 0.00 C ATOM 679 O LEU A 45 -5.559 7.658 -11.750 1.00 0.00 O ATOM 680 CB LEU A 45 -7.090 4.798 -12.823 1.00 0.00 C ATOM 681 CG LEU A 45 -8.446 5.518 -12.681 1.00 0.00 C ATOM 682 CD1 LEU A 45 -8.585 6.405 -11.444 1.00 0.00 C ATOM 683 CD2 LEU A 45 -8.804 6.340 -13.920 1.00 0.00 C ATOM 0 H LEU A 45 -4.936 3.815 -13.453 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.068 6.402 -13.803 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -7.166 4.104 -13.660 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.934 4.199 -11.926 1.00 0.00 H new ATOM 0 HG LEU A 45 -9.149 4.693 -12.563 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -9.573 6.866 -11.436 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.460 5.800 -10.546 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.822 7.183 -11.466 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -9.768 6.826 -13.768 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -8.038 7.097 -14.088 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.862 5.683 -14.788 1.00 0.00 H new ATOM 695 N PHE A 46 -4.877 5.753 -10.766 1.00 0.00 N ATOM 696 CA PHE A 46 -4.488 6.388 -9.502 1.00 0.00 C ATOM 697 C PHE A 46 -3.528 7.570 -9.698 1.00 0.00 C ATOM 698 O PHE A 46 -3.796 8.674 -9.219 1.00 0.00 O ATOM 699 CB PHE A 46 -3.874 5.374 -8.525 1.00 0.00 C ATOM 700 CG PHE A 46 -3.503 6.017 -7.198 1.00 0.00 C ATOM 701 CD1 PHE A 46 -4.520 6.599 -6.417 1.00 0.00 C ATOM 702 CD2 PHE A 46 -2.159 6.110 -6.772 1.00 0.00 C ATOM 703 CE1 PHE A 46 -4.208 7.266 -5.223 1.00 0.00 C ATOM 704 CE2 PHE A 46 -1.866 6.711 -5.533 1.00 0.00 C ATOM 705 CZ PHE A 46 -2.882 7.302 -4.766 1.00 0.00 C ATOM 0 H PHE A 46 -4.694 4.750 -10.799 1.00 0.00 H new ATOM 0 HA PHE A 46 -5.410 6.780 -9.073 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -4.582 4.564 -8.350 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -2.986 4.930 -8.974 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.548 6.531 -6.740 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.363 5.723 -7.392 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.988 7.752 -4.656 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.849 6.717 -5.169 1.00 0.00 H new ATOM 0 HZ PHE A 46 -2.644 7.782 -3.828 1.00 0.00 H new ATOM 715 N VAL A 47 -2.426 7.365 -10.430 1.00 0.00 N ATOM 716 CA VAL A 47 -1.492 8.460 -10.734 1.00 0.00 C ATOM 717 C VAL A 47 -2.133 9.558 -11.556 1.00 0.00 C ATOM 718 O VAL A 47 -1.940 10.733 -11.261 1.00 0.00 O ATOM 719 CB VAL A 47 -0.216 7.961 -11.409 1.00 0.00 C ATOM 720 CG1 VAL A 47 -0.355 7.343 -12.795 1.00 0.00 C ATOM 721 CG2 VAL A 47 0.863 9.043 -11.445 1.00 0.00 C ATOM 0 H VAL A 47 -2.159 6.461 -10.820 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.216 8.888 -9.770 1.00 0.00 H new ATOM 0 HB VAL A 47 0.075 7.133 -10.762 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.626 7.033 -13.155 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.013 6.476 -12.742 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.777 8.078 -13.480 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.756 8.651 -11.932 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.495 9.905 -12.001 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.109 9.346 -10.427 1.00 0.00 H new ATOM 731 N SER A 48 -2.944 9.198 -12.549 1.00 0.00 N ATOM 732 CA SER A 48 -3.644 10.184 -13.362 1.00 0.00 C ATOM 733 C SER A 48 -4.605 11.048 -12.523 1.00 0.00 C ATOM 734 O SER A 48 -4.743 12.247 -12.775 1.00 0.00 O ATOM 735 CB SER A 48 -4.367 9.465 -14.502 1.00 0.00 C ATOM 736 OG SER A 48 -4.973 10.375 -15.404 1.00 0.00 O ATOM 0 H SER A 48 -3.131 8.229 -12.808 1.00 0.00 H new ATOM 0 HA SER A 48 -2.916 10.877 -13.784 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.658 8.837 -15.042 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.128 8.803 -14.088 1.00 0.00 H new ATOM 0 HG SER A 48 -5.423 9.877 -16.118 1.00 0.00 H new ATOM 742 N ALA A 49 -5.197 10.484 -11.463 1.00 0.00 N ATOM 743 CA ALA A 49 -6.013 11.219 -10.491 1.00 0.00 C ATOM 744 C ALA A 49 -5.153 12.162 -9.627 1.00 0.00 C ATOM 745 O ALA A 49 -5.460 13.350 -9.519 1.00 0.00 O ATOM 746 CB ALA A 49 -6.826 10.234 -9.638 1.00 0.00 C ATOM 0 H ALA A 49 -5.121 9.489 -11.254 1.00 0.00 H new ATOM 0 HA ALA A 49 -6.713 11.854 -11.033 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.429 10.788 -8.919 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.479 9.647 -10.284 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.147 9.568 -9.106 1.00 0.00 H new ATOM 752 N PHE A 50 -4.047 11.664 -9.060 1.00 0.00 N ATOM 753 CA PHE A 50 -3.054 12.467 -8.333 1.00 0.00 C ATOM 754 C PHE A 50 -2.549 13.665 -9.162 1.00 0.00 C ATOM 755 O PHE A 50 -2.568 14.803 -8.694 1.00 0.00 O ATOM 756 CB PHE A 50 -1.915 11.547 -7.875 1.00 0.00 C ATOM 757 CG PHE A 50 -0.756 12.252 -7.196 1.00 0.00 C ATOM 758 CD1 PHE A 50 -0.770 12.469 -5.804 1.00 0.00 C ATOM 759 CD2 PHE A 50 0.359 12.656 -7.954 1.00 0.00 C ATOM 760 CE1 PHE A 50 0.321 13.101 -5.178 1.00 0.00 C ATOM 761 CE2 PHE A 50 1.441 13.303 -7.332 1.00 0.00 C ATOM 762 CZ PHE A 50 1.424 13.524 -5.943 1.00 0.00 C ATOM 0 H PHE A 50 -3.812 10.672 -9.094 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.526 12.909 -7.455 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.322 10.804 -7.189 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.534 11.006 -8.741 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -1.618 12.150 -5.217 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.383 12.468 -9.017 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.312 13.261 -4.110 1.00 0.00 H new ATOM 0 HE2 PHE A 50 2.285 13.630 -7.921 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.257 14.018 -5.464 1.00 0.00 H new ATOM 772 N GLU A 51 -2.162 13.432 -10.419 1.00 0.00 N ATOM 773 CA GLU A 51 -1.764 14.469 -11.380 1.00 0.00 C ATOM 774 C GLU A 51 -2.903 15.459 -11.670 1.00 0.00 C ATOM 775 O GLU A 51 -2.688 16.666 -11.640 1.00 0.00 O ATOM 776 CB GLU A 51 -1.303 13.831 -12.701 1.00 0.00 C ATOM 777 CG GLU A 51 0.016 13.062 -12.581 1.00 0.00 C ATOM 778 CD GLU A 51 1.212 13.987 -12.288 1.00 0.00 C ATOM 779 OE1 GLU A 51 1.530 14.853 -13.137 1.00 0.00 O ATOM 780 OE2 GLU A 51 1.848 13.838 -11.219 1.00 0.00 O ATOM 0 H GLU A 51 -2.115 12.491 -10.809 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.941 15.020 -10.925 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.078 13.153 -13.058 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.192 14.612 -13.453 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.070 12.321 -11.786 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.201 12.517 -13.506 1.00 0.00 H new ATOM 787 N THR A 52 -4.127 14.987 -11.920 1.00 0.00 N ATOM 788 CA THR A 52 -5.293 15.864 -12.159 1.00 0.00 C ATOM 789 C THR A 52 -5.510 16.861 -11.011 1.00 0.00 C ATOM 790 O THR A 52 -5.824 18.030 -11.246 1.00 0.00 O ATOM 791 CB THR A 52 -6.568 15.038 -12.403 1.00 0.00 C ATOM 792 OG1 THR A 52 -6.434 14.282 -13.587 1.00 0.00 O ATOM 793 CG2 THR A 52 -7.814 15.905 -12.584 1.00 0.00 C ATOM 0 H THR A 52 -4.345 13.992 -11.964 1.00 0.00 H new ATOM 0 HA THR A 52 -5.076 16.440 -13.058 1.00 0.00 H new ATOM 0 HB THR A 52 -6.688 14.410 -11.520 1.00 0.00 H new ATOM 0 HG1 THR A 52 -5.856 13.509 -13.418 1.00 0.00 H new ATOM 0 HG21 THR A 52 -8.681 15.266 -12.753 1.00 0.00 H new ATOM 0 HG22 THR A 52 -7.974 16.504 -11.688 1.00 0.00 H new ATOM 0 HG23 THR A 52 -7.677 16.564 -13.441 1.00 0.00 H new ATOM 801 N PHE A 53 -5.296 16.424 -9.769 1.00 0.00 N ATOM 802 CA PHE A 53 -5.437 17.229 -8.554 1.00 0.00 C ATOM 803 C PHE A 53 -4.171 18.035 -8.176 1.00 0.00 C ATOM 804 O PHE A 53 -4.195 18.741 -7.164 1.00 0.00 O ATOM 805 CB PHE A 53 -5.925 16.313 -7.415 1.00 0.00 C ATOM 806 CG PHE A 53 -7.423 16.039 -7.410 1.00 0.00 C ATOM 807 CD1 PHE A 53 -8.028 15.278 -8.431 1.00 0.00 C ATOM 808 CD2 PHE A 53 -8.225 16.549 -6.369 1.00 0.00 C ATOM 809 CE1 PHE A 53 -9.421 15.093 -8.449 1.00 0.00 C ATOM 810 CE2 PHE A 53 -9.616 16.344 -6.374 1.00 0.00 C ATOM 811 CZ PHE A 53 -10.218 15.628 -7.422 1.00 0.00 C ATOM 0 H PHE A 53 -5.009 15.465 -9.574 1.00 0.00 H new ATOM 0 HA PHE A 53 -6.180 18.004 -8.745 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -5.397 15.362 -7.482 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -5.650 16.765 -6.462 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -7.417 14.835 -9.204 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -7.768 17.101 -5.562 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -9.880 14.538 -9.254 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -10.222 16.737 -5.571 1.00 0.00 H new ATOM 0 HZ PHE A 53 -11.289 15.489 -7.439 1.00 0.00 H new ATOM 821 N ARG A 54 -3.082 18.013 -8.975 1.00 0.00 N ATOM 822 CA ARG A 54 -1.816 18.728 -8.685 1.00 0.00 C ATOM 823 C ARG A 54 -1.990 20.229 -8.447 1.00 0.00 C ATOM 824 O ARG A 54 -1.224 20.835 -7.704 1.00 0.00 O ATOM 825 CB ARG A 54 -0.784 18.452 -9.802 1.00 0.00 C ATOM 826 CG ARG A 54 -1.058 19.206 -11.122 1.00 0.00 C ATOM 827 CD ARG A 54 -0.336 18.618 -12.344 1.00 0.00 C ATOM 828 NE ARG A 54 1.131 18.682 -12.245 1.00 0.00 N ATOM 829 CZ ARG A 54 1.984 18.423 -13.225 1.00 0.00 C ATOM 830 NH1 ARG A 54 1.587 18.025 -14.401 1.00 0.00 N ATOM 831 NH2 ARG A 54 3.264 18.576 -13.058 1.00 0.00 N ATOM 0 H ARG A 54 -3.055 17.492 -9.851 1.00 0.00 H new ATOM 0 HA ARG A 54 -1.444 18.331 -7.740 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.207 18.725 -9.440 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -0.765 17.381 -10.006 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -2.131 19.204 -11.312 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.757 20.247 -11.002 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.639 17.579 -12.470 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.656 19.154 -13.238 1.00 0.00 H new ATOM 0 HE ARG A 54 1.525 18.949 -11.343 1.00 0.00 H new ATOM 0 HH11 ARG A 54 0.592 17.904 -14.589 1.00 0.00 H new ATOM 0 HH12 ARG A 54 2.271 17.835 -15.133 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.626 18.900 -12.161 1.00 0.00 H new ATOM 0 HH22 ARG A 54 3.906 18.372 -13.824 1.00 0.00 H new ATOM 845 N GLU A 55 -3.005 20.816 -9.080 1.00 0.00 N ATOM 846 CA GLU A 55 -3.331 22.247 -9.046 1.00 0.00 C ATOM 847 C GLU A 55 -3.955 22.726 -7.720 1.00 0.00 C ATOM 848 O GLU A 55 -3.988 23.928 -7.455 1.00 0.00 O ATOM 849 CB GLU A 55 -4.287 22.582 -10.205 1.00 0.00 C ATOM 850 CG GLU A 55 -3.797 22.050 -11.559 1.00 0.00 C ATOM 851 CD GLU A 55 -4.481 22.782 -12.731 1.00 0.00 C ATOM 852 OE1 GLU A 55 -5.624 22.418 -13.099 1.00 0.00 O ATOM 853 OE2 GLU A 55 -3.878 23.728 -13.295 1.00 0.00 O ATOM 0 H GLU A 55 -3.655 20.284 -9.659 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.382 22.774 -9.145 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -5.270 22.163 -9.990 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.408 23.663 -10.268 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.717 22.174 -11.631 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -4.000 20.981 -11.627 1.00 0.00 H new ATOM 860 N GLU A 56 -4.460 21.812 -6.881 1.00 0.00 N ATOM 861 CA GLU A 56 -5.162 22.145 -5.624 1.00 0.00 C ATOM 862 C GLU A 56 -4.228 22.397 -4.419 1.00 0.00 C ATOM 863 O GLU A 56 -4.678 22.854 -3.364 1.00 0.00 O ATOM 864 CB GLU A 56 -6.202 21.062 -5.289 1.00 0.00 C ATOM 865 CG GLU A 56 -7.276 20.922 -6.383 1.00 0.00 C ATOM 866 CD GLU A 56 -8.601 20.316 -5.868 1.00 0.00 C ATOM 867 OE1 GLU A 56 -8.616 19.598 -4.839 1.00 0.00 O ATOM 868 OE2 GLU A 56 -9.657 20.578 -6.496 1.00 0.00 O ATOM 0 H GLU A 56 -4.395 20.809 -7.053 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.663 23.096 -5.806 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.697 20.106 -5.155 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.682 21.304 -4.341 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.477 21.904 -6.813 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.887 20.296 -7.186 1.00 0.00 H new ATOM 875 N SER A 57 -2.926 22.153 -4.587 1.00 0.00 N ATOM 876 CA SER A 57 -1.831 22.441 -3.643 1.00 0.00 C ATOM 877 C SER A 57 -0.691 23.174 -4.360 1.00 0.00 C ATOM 878 O SER A 57 -0.720 23.322 -5.581 1.00 0.00 O ATOM 879 CB SER A 57 -1.351 21.133 -2.999 1.00 0.00 C ATOM 880 OG SER A 57 -2.319 20.657 -2.078 1.00 0.00 O ATOM 0 H SER A 57 -2.580 21.719 -5.443 1.00 0.00 H new ATOM 0 HA SER A 57 -2.192 23.097 -2.850 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.172 20.384 -3.770 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.402 21.297 -2.488 1.00 0.00 H new ATOM 0 HG SER A 57 -1.897 20.030 -1.455 1.00 0.00 H new ATOM 886 N LEU A 58 0.317 23.658 -3.630 1.00 0.00 N ATOM 887 CA LEU A 58 1.455 24.391 -4.205 1.00 0.00 C ATOM 888 C LEU A 58 2.546 23.412 -4.657 1.00 0.00 C ATOM 889 O LEU A 58 2.942 23.380 -5.822 1.00 0.00 O ATOM 890 CB LEU A 58 1.952 25.412 -3.158 1.00 0.00 C ATOM 891 CG LEU A 58 2.907 26.528 -3.630 1.00 0.00 C ATOM 892 CD1 LEU A 58 4.280 26.032 -4.085 1.00 0.00 C ATOM 893 CD2 LEU A 58 2.303 27.378 -4.750 1.00 0.00 C ATOM 0 H LEU A 58 0.370 23.553 -2.617 1.00 0.00 H new ATOM 0 HA LEU A 58 1.156 24.940 -5.098 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.077 25.887 -2.714 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.452 24.859 -2.363 1.00 0.00 H new ATOM 0 HG LEU A 58 3.050 27.136 -2.737 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.887 26.881 -4.400 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.773 25.519 -3.259 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.159 25.342 -4.920 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.015 28.149 -5.046 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.078 26.743 -5.607 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.386 27.848 -4.396 1.00 0.00 H new ATOM 905 N VAL A 59 2.999 22.580 -3.721 1.00 0.00 N ATOM 906 CA VAL A 59 4.169 21.688 -3.840 1.00 0.00 C ATOM 907 C VAL A 59 3.925 20.540 -4.820 1.00 0.00 C ATOM 908 O VAL A 59 4.871 19.960 -5.346 1.00 0.00 O ATOM 909 CB VAL A 59 4.565 21.131 -2.454 1.00 0.00 C ATOM 910 CG1 VAL A 59 4.607 22.254 -1.407 1.00 0.00 C ATOM 911 CG2 VAL A 59 3.651 20.010 -1.944 1.00 0.00 C ATOM 0 H VAL A 59 2.544 22.500 -2.812 1.00 0.00 H new ATOM 0 HA VAL A 59 4.990 22.286 -4.237 1.00 0.00 H new ATOM 0 HB VAL A 59 5.555 20.698 -2.595 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.888 21.839 -0.439 1.00 0.00 H new ATOM 0 HG12 VAL A 59 5.339 23.004 -1.707 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.623 22.718 -1.331 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.997 19.675 -0.966 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.630 20.383 -1.859 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.675 19.174 -2.643 1.00 0.00 H new ATOM 921 N CYS A 60 2.652 20.210 -5.066 1.00 0.00 N ATOM 922 CA CYS A 60 2.238 19.077 -5.883 1.00 0.00 C ATOM 923 C CYS A 60 2.351 19.373 -7.387 1.00 0.00 C ATOM 924 O CYS A 60 2.390 18.435 -8.185 1.00 0.00 O ATOM 925 CB CYS A 60 0.810 18.688 -5.481 1.00 0.00 C ATOM 926 SG CYS A 60 0.455 17.011 -6.076 1.00 0.00 S ATOM 0 H CYS A 60 1.866 20.740 -4.690 1.00 0.00 H new ATOM 0 HA CYS A 60 2.909 18.238 -5.701 1.00 0.00 H new ATOM 0 HB2 CYS A 60 0.700 18.733 -4.397 1.00 0.00 H new ATOM 0 HB3 CYS A 60 0.096 19.395 -5.903 1.00 0.00 H new ATOM 0 HG CYS A 60 1.070 16.811 -7.204 1.00 0.00 H new ATOM 932 N LYS A 61 2.455 20.654 -7.794 1.00 0.00 N ATOM 933 CA LYS A 61 2.704 20.971 -9.216 1.00 0.00 C ATOM 934 C LYS A 61 4.059 20.447 -9.707 1.00 0.00 C ATOM 935 O LYS A 61 4.175 20.078 -10.874 1.00 0.00 O ATOM 936 CB LYS A 61 2.551 22.466 -9.545 1.00 0.00 C ATOM 937 CG LYS A 61 1.081 22.919 -9.645 1.00 0.00 C ATOM 938 CD LYS A 61 0.567 23.594 -8.369 1.00 0.00 C ATOM 939 CE LYS A 61 1.210 24.953 -8.053 1.00 0.00 C ATOM 940 NZ LYS A 61 0.906 25.988 -9.080 1.00 0.00 N ATOM 0 H LYS A 61 2.374 21.464 -7.180 1.00 0.00 H new ATOM 0 HA LYS A 61 1.921 20.443 -9.760 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.054 23.054 -8.777 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.054 22.677 -10.489 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.977 23.611 -10.481 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.456 22.054 -9.867 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.511 23.730 -8.456 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.737 22.923 -7.527 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.859 25.299 -7.081 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.290 24.830 -7.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.336 26.892 -8.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.294 25.690 -9.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.124 26.105 -9.161 1.00 0.00 H new ATOM 954 N ASP A 62 5.043 20.329 -8.818 1.00 0.00 N ATOM 955 CA ASP A 62 6.351 19.715 -9.067 1.00 0.00 C ATOM 956 C ASP A 62 6.500 18.446 -8.210 1.00 0.00 C ATOM 957 O ASP A 62 7.088 18.470 -7.128 1.00 0.00 O ATOM 958 CB ASP A 62 7.466 20.744 -8.825 1.00 0.00 C ATOM 959 CG ASP A 62 7.519 21.802 -9.939 1.00 0.00 C ATOM 960 OD1 ASP A 62 8.063 21.500 -11.027 1.00 0.00 O ATOM 961 OD2 ASP A 62 7.046 22.943 -9.721 1.00 0.00 O ATOM 0 H ASP A 62 4.949 20.673 -7.862 1.00 0.00 H new ATOM 0 HA ASP A 62 6.433 19.404 -10.109 1.00 0.00 H new ATOM 0 HB2 ASP A 62 7.305 21.235 -7.865 1.00 0.00 H new ATOM 0 HB3 ASP A 62 8.426 20.232 -8.764 1.00 0.00 H new ATOM 966 N ALA A 63 5.923 17.339 -8.693 1.00 0.00 N ATOM 967 CA ALA A 63 5.937 16.014 -8.069 1.00 0.00 C ATOM 968 C ALA A 63 5.913 14.873 -9.112 1.00 0.00 C ATOM 969 O ALA A 63 5.591 15.090 -10.283 1.00 0.00 O ATOM 970 CB ALA A 63 4.718 15.914 -7.136 1.00 0.00 C ATOM 0 H ALA A 63 5.408 17.345 -9.574 1.00 0.00 H new ATOM 0 HA ALA A 63 6.865 15.899 -7.508 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.705 14.935 -6.658 1.00 0.00 H new ATOM 0 HB2 ALA A 63 4.779 16.690 -6.373 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.804 16.047 -7.715 1.00 0.00 H new ATOM 976 N ILE A 64 6.202 13.648 -8.658 1.00 0.00 N ATOM 977 CA ILE A 64 6.035 12.353 -9.347 1.00 0.00 C ATOM 978 C ILE A 64 5.458 11.354 -8.324 1.00 0.00 C ATOM 979 O ILE A 64 5.684 11.520 -7.124 1.00 0.00 O ATOM 980 CB ILE A 64 7.397 11.856 -9.914 1.00 0.00 C ATOM 981 CG1 ILE A 64 8.066 12.826 -10.912 1.00 0.00 C ATOM 982 CG2 ILE A 64 7.319 10.447 -10.538 1.00 0.00 C ATOM 983 CD1 ILE A 64 7.335 12.962 -12.250 1.00 0.00 C ATOM 0 H ILE A 64 6.591 13.521 -7.724 1.00 0.00 H new ATOM 0 HA ILE A 64 5.356 12.453 -10.194 1.00 0.00 H new ATOM 0 HB ILE A 64 8.032 11.812 -9.029 1.00 0.00 H new ATOM 0 HG12 ILE A 64 8.138 13.811 -10.450 1.00 0.00 H new ATOM 0 HG13 ILE A 64 9.085 12.487 -11.101 1.00 0.00 H new ATOM 0 HG21 ILE A 64 8.301 10.161 -10.914 1.00 0.00 H new ATOM 0 HG22 ILE A 64 6.997 9.731 -9.781 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.603 10.452 -11.360 1.00 0.00 H new ATOM 0 HD11 ILE A 64 7.873 13.662 -12.889 1.00 0.00 H new ATOM 0 HD12 ILE A 64 7.286 11.989 -12.738 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.325 13.332 -12.077 1.00 0.00 H new ATOM 995 N LEU A 65 4.753 10.310 -8.771 1.00 0.00 N ATOM 996 CA LEU A 65 4.186 9.247 -7.929 1.00 0.00 C ATOM 997 C LEU A 65 4.555 7.859 -8.480 1.00 0.00 C ATOM 998 O LEU A 65 4.343 7.570 -9.659 1.00 0.00 O ATOM 999 CB LEU A 65 2.678 9.516 -7.809 1.00 0.00 C ATOM 1000 CG LEU A 65 1.830 8.518 -6.993 1.00 0.00 C ATOM 1001 CD1 LEU A 65 0.560 9.232 -6.550 1.00 0.00 C ATOM 1002 CD2 LEU A 65 1.409 7.283 -7.785 1.00 0.00 C ATOM 0 H LEU A 65 4.554 10.175 -9.762 1.00 0.00 H new ATOM 0 HA LEU A 65 4.606 9.252 -6.923 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.549 10.504 -7.368 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.265 9.560 -8.817 1.00 0.00 H new ATOM 0 HG LEU A 65 2.447 8.181 -6.160 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.059 8.547 -5.970 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.822 10.093 -5.936 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.006 9.567 -7.427 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.816 6.627 -7.148 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.813 7.588 -8.645 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.296 6.751 -8.128 1.00 0.00 H new ATOM 1014 N ASP A 66 5.121 7.008 -7.622 1.00 0.00 N ATOM 1015 CA ASP A 66 5.714 5.707 -7.954 1.00 0.00 C ATOM 1016 C ASP A 66 4.981 4.543 -7.268 1.00 0.00 C ATOM 1017 O ASP A 66 5.037 4.397 -6.045 1.00 0.00 O ATOM 1018 CB ASP A 66 7.198 5.728 -7.568 1.00 0.00 C ATOM 1019 CG ASP A 66 7.943 4.517 -8.151 1.00 0.00 C ATOM 1020 OD1 ASP A 66 8.110 4.459 -9.392 1.00 0.00 O ATOM 1021 OD2 ASP A 66 8.366 3.628 -7.378 1.00 0.00 O ATOM 0 H ASP A 66 5.182 7.216 -6.625 1.00 0.00 H new ATOM 0 HA ASP A 66 5.613 5.541 -9.027 1.00 0.00 H new ATOM 0 HB2 ASP A 66 7.657 6.648 -7.929 1.00 0.00 H new ATOM 0 HB3 ASP A 66 7.294 5.729 -6.482 1.00 0.00 H new ATOM 1026 N ILE A 67 4.266 3.729 -8.051 1.00 0.00 N ATOM 1027 CA ILE A 67 3.491 2.579 -7.563 1.00 0.00 C ATOM 1028 C ILE A 67 4.367 1.320 -7.432 1.00 0.00 C ATOM 1029 O ILE A 67 4.669 0.644 -8.419 1.00 0.00 O ATOM 1030 CB ILE A 67 2.247 2.314 -8.440 1.00 0.00 C ATOM 1031 CG1 ILE A 67 1.335 3.555 -8.608 1.00 0.00 C ATOM 1032 CG2 ILE A 67 1.426 1.181 -7.799 1.00 0.00 C ATOM 1033 CD1 ILE A 67 1.594 4.326 -9.909 1.00 0.00 C ATOM 0 H ILE A 67 4.207 3.852 -9.062 1.00 0.00 H new ATOM 0 HA ILE A 67 3.134 2.833 -6.565 1.00 0.00 H new ATOM 0 HB ILE A 67 2.607 2.046 -9.433 1.00 0.00 H new ATOM 0 HG12 ILE A 67 0.293 3.237 -8.583 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.484 4.225 -7.761 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.544 0.982 -8.407 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.036 0.279 -7.738 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.117 1.478 -6.797 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.922 5.183 -9.964 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.627 4.673 -9.927 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.417 3.671 -10.762 1.00 0.00 H new ATOM 1045 N VAL A 68 4.739 0.987 -6.196 1.00 0.00 N ATOM 1046 CA VAL A 68 5.320 -0.296 -5.770 1.00 0.00 C ATOM 1047 C VAL A 68 4.250 -1.394 -5.770 1.00 0.00 C ATOM 1048 O VAL A 68 3.210 -1.277 -5.119 1.00 0.00 O ATOM 1049 CB VAL A 68 5.953 -0.172 -4.367 1.00 0.00 C ATOM 1050 CG1 VAL A 68 6.526 -1.502 -3.858 1.00 0.00 C ATOM 1051 CG2 VAL A 68 7.101 0.843 -4.388 1.00 0.00 C ATOM 0 H VAL A 68 4.639 1.639 -5.418 1.00 0.00 H new ATOM 0 HA VAL A 68 6.102 -0.566 -6.479 1.00 0.00 H new ATOM 0 HB VAL A 68 5.151 0.148 -3.702 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.958 -1.357 -2.868 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.729 -2.243 -3.801 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.298 -1.852 -4.543 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.537 0.920 -3.392 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.864 0.515 -5.094 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.720 1.817 -4.693 1.00 0.00 H new ATOM 1061 N ASP A 69 4.519 -2.479 -6.495 1.00 0.00 N ATOM 1062 CA ASP A 69 3.728 -3.716 -6.498 1.00 0.00 C ATOM 1063 C ASP A 69 3.986 -4.540 -5.217 1.00 0.00 C ATOM 1064 O ASP A 69 5.017 -5.204 -5.084 1.00 0.00 O ATOM 1065 CB ASP A 69 4.067 -4.506 -7.771 1.00 0.00 C ATOM 1066 CG ASP A 69 3.211 -5.772 -7.920 1.00 0.00 C ATOM 1067 OD1 ASP A 69 1.976 -5.639 -8.089 1.00 0.00 O ATOM 1068 OD2 ASP A 69 3.775 -6.892 -7.920 1.00 0.00 O ATOM 0 H ASP A 69 5.323 -2.526 -7.121 1.00 0.00 H new ATOM 0 HA ASP A 69 2.664 -3.480 -6.501 1.00 0.00 H new ATOM 0 HB2 ASP A 69 3.920 -3.867 -8.642 1.00 0.00 H new ATOM 0 HB3 ASP A 69 5.121 -4.783 -7.753 1.00 0.00 H new ATOM 1073 N GLU A 70 3.083 -4.462 -4.237 1.00 0.00 N ATOM 1074 CA GLU A 70 3.192 -5.196 -2.969 1.00 0.00 C ATOM 1075 C GLU A 70 2.757 -6.665 -3.105 1.00 0.00 C ATOM 1076 O GLU A 70 1.711 -6.973 -3.681 1.00 0.00 O ATOM 1077 CB GLU A 70 2.357 -4.535 -1.860 1.00 0.00 C ATOM 1078 CG GLU A 70 3.065 -3.352 -1.194 1.00 0.00 C ATOM 1079 CD GLU A 70 2.349 -2.985 0.120 1.00 0.00 C ATOM 1080 OE1 GLU A 70 2.485 -3.744 1.112 1.00 0.00 O ATOM 1081 OE2 GLU A 70 1.646 -1.950 0.161 1.00 0.00 O ATOM 0 H GLU A 70 2.246 -3.882 -4.300 1.00 0.00 H new ATOM 0 HA GLU A 70 4.248 -5.166 -2.699 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.411 -4.194 -2.281 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.118 -5.280 -1.102 1.00 0.00 H new ATOM 0 HG2 GLU A 70 4.106 -3.606 -0.993 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.071 -2.495 -1.867 1.00 0.00 H new ATOM 1088 N LYS A 71 3.531 -7.574 -2.499 1.00 0.00 N ATOM 1089 CA LYS A 71 3.192 -8.989 -2.323 1.00 0.00 C ATOM 1090 C LYS A 71 1.989 -9.172 -1.393 1.00 0.00 C ATOM 1091 O LYS A 71 1.618 -8.270 -0.636 1.00 0.00 O ATOM 1092 CB LYS A 71 4.439 -9.729 -1.799 1.00 0.00 C ATOM 1093 CG LYS A 71 5.343 -10.265 -2.923 1.00 0.00 C ATOM 1094 CD LYS A 71 5.808 -9.266 -3.997 1.00 0.00 C ATOM 1095 CE LYS A 71 6.747 -8.162 -3.484 1.00 0.00 C ATOM 1096 NZ LYS A 71 8.098 -8.683 -3.140 1.00 0.00 N ATOM 0 H LYS A 71 4.441 -7.335 -2.105 1.00 0.00 H new ATOM 0 HA LYS A 71 2.897 -9.414 -3.282 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.016 -9.053 -1.168 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.122 -10.560 -1.169 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.230 -10.701 -2.463 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.813 -11.075 -3.424 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.315 -9.816 -4.790 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.930 -8.799 -4.444 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.842 -7.387 -4.244 1.00 0.00 H new ATOM 0 HE3 LYS A 71 6.306 -7.693 -2.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 8.695 -7.902 -2.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 8.013 -9.404 -2.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.532 -9.107 -3.985 1.00 0.00 H new ATOM 1110 N VAL A 72 1.416 -10.372 -1.425 1.00 0.00 N ATOM 1111 CA VAL A 72 0.237 -10.783 -0.639 1.00 0.00 C ATOM 1112 C VAL A 72 0.532 -11.977 0.274 1.00 0.00 C ATOM 1113 O VAL A 72 1.361 -12.827 -0.051 1.00 0.00 O ATOM 1114 CB VAL A 72 -0.971 -11.092 -1.548 1.00 0.00 C ATOM 1115 CG1 VAL A 72 -1.601 -9.803 -2.080 1.00 0.00 C ATOM 1116 CG2 VAL A 72 -0.615 -11.991 -2.740 1.00 0.00 C ATOM 0 H VAL A 72 1.768 -11.121 -2.021 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.016 -9.935 -0.003 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.680 -11.629 -0.919 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -2.450 -10.049 -2.718 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.941 -9.192 -1.244 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -0.862 -9.248 -2.658 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.507 -12.171 -3.340 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.141 -11.500 -3.353 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.226 -12.942 -2.375 1.00 0.00 H new ATOM 1126 N GLU A 73 -0.162 -12.061 1.413 1.00 0.00 N ATOM 1127 CA GLU A 73 0.006 -13.133 2.407 1.00 0.00 C ATOM 1128 C GLU A 73 -1.318 -13.445 3.138 1.00 0.00 C ATOM 1129 O GLU A 73 -2.113 -12.540 3.410 1.00 0.00 O ATOM 1130 CB GLU A 73 1.099 -12.721 3.417 1.00 0.00 C ATOM 1131 CG GLU A 73 2.053 -13.862 3.787 1.00 0.00 C ATOM 1132 CD GLU A 73 3.195 -14.043 2.766 1.00 0.00 C ATOM 1133 OE1 GLU A 73 4.093 -13.166 2.696 1.00 0.00 O ATOM 1134 OE2 GLU A 73 3.237 -15.087 2.075 1.00 0.00 O ATOM 0 H GLU A 73 -0.869 -11.375 1.678 1.00 0.00 H new ATOM 0 HA GLU A 73 0.308 -14.043 1.889 1.00 0.00 H new ATOM 0 HB2 GLU A 73 1.677 -11.897 2.999 1.00 0.00 H new ATOM 0 HB3 GLU A 73 0.622 -12.348 4.324 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.479 -13.668 4.771 1.00 0.00 H new ATOM 0 HG3 GLU A 73 1.488 -14.791 3.862 1.00 0.00 H new ATOM 1141 N LEU A 74 -1.545 -14.720 3.470 1.00 0.00 N ATOM 1142 CA LEU A 74 -2.787 -15.287 4.020 1.00 0.00 C ATOM 1143 C LEU A 74 -2.528 -15.908 5.406 1.00 0.00 C ATOM 1144 O LEU A 74 -1.855 -16.935 5.506 1.00 0.00 O ATOM 1145 CB LEU A 74 -3.336 -16.355 3.043 1.00 0.00 C ATOM 1146 CG LEU A 74 -4.228 -15.892 1.875 1.00 0.00 C ATOM 1147 CD1 LEU A 74 -5.609 -15.451 2.349 1.00 0.00 C ATOM 1148 CD2 LEU A 74 -3.642 -14.747 1.049 1.00 0.00 C ATOM 0 H LEU A 74 -0.823 -15.431 3.356 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.524 -14.493 4.138 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.484 -16.886 2.619 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.904 -17.079 3.628 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.296 -16.776 1.241 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.203 -15.133 1.492 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -6.106 -16.284 2.846 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -5.506 -14.621 3.047 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.334 -14.484 0.249 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.483 -13.880 1.690 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.691 -15.059 0.618 1.00 0.00 H new ATOM 1160 N GLU A 75 -3.045 -15.301 6.480 1.00 0.00 N ATOM 1161 CA GLU A 75 -2.990 -15.862 7.844 1.00 0.00 C ATOM 1162 C GLU A 75 -4.244 -16.677 8.190 1.00 0.00 C ATOM 1163 O GLU A 75 -5.333 -16.393 7.687 1.00 0.00 O ATOM 1164 CB GLU A 75 -2.759 -14.759 8.894 1.00 0.00 C ATOM 1165 CG GLU A 75 -3.974 -13.860 9.192 1.00 0.00 C ATOM 1166 CD GLU A 75 -3.675 -12.789 10.267 1.00 0.00 C ATOM 1167 OE1 GLU A 75 -2.546 -12.243 10.310 1.00 0.00 O ATOM 1168 OE2 GLU A 75 -4.585 -12.460 11.067 1.00 0.00 O ATOM 0 H GLU A 75 -3.518 -14.399 6.432 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.140 -16.544 7.865 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.440 -15.229 9.824 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -1.936 -14.128 8.557 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.290 -13.367 8.273 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -4.807 -14.480 9.524 1.00 0.00 H new ATOM 1175 N CYS A 76 -4.115 -17.644 9.101 1.00 0.00 N ATOM 1176 CA CYS A 76 -5.262 -18.305 9.724 1.00 0.00 C ATOM 1177 C CYS A 76 -5.943 -17.395 10.775 1.00 0.00 C ATOM 1178 O CYS A 76 -5.321 -16.512 11.373 1.00 0.00 O ATOM 1179 CB CYS A 76 -4.771 -19.601 10.369 1.00 0.00 C ATOM 1180 SG CYS A 76 -6.170 -20.729 10.677 1.00 0.00 S ATOM 0 H CYS A 76 -3.213 -17.990 9.427 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.012 -18.521 8.963 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -4.042 -20.085 9.719 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -4.263 -19.378 11.307 1.00 0.00 H new ATOM 1185 N LYS A 77 -7.228 -17.664 11.028 1.00 0.00 N ATOM 1186 CA LYS A 77 -8.104 -16.984 12.002 1.00 0.00 C ATOM 1187 C LYS A 77 -7.610 -17.039 13.456 1.00 0.00 C ATOM 1188 O LYS A 77 -7.291 -16.004 14.037 1.00 0.00 O ATOM 1189 CB LYS A 77 -9.532 -17.553 11.879 1.00 0.00 C ATOM 1190 CG LYS A 77 -10.304 -16.988 10.675 1.00 0.00 C ATOM 1191 CD LYS A 77 -10.778 -15.538 10.862 1.00 0.00 C ATOM 1192 CE LYS A 77 -11.852 -15.413 11.940 1.00 0.00 C ATOM 1193 NZ LYS A 77 -12.391 -14.030 12.031 1.00 0.00 N ATOM 0 H LYS A 77 -7.719 -18.407 10.531 1.00 0.00 H new ATOM 0 HA LYS A 77 -8.091 -15.924 11.749 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -9.478 -18.638 11.792 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -10.084 -17.334 12.793 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -9.668 -17.041 9.791 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -11.170 -17.621 10.482 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -9.926 -14.911 11.127 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -11.170 -15.162 9.917 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -12.665 -16.106 11.724 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -11.434 -15.703 12.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -13.117 -13.989 12.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -11.620 -13.372 12.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -12.813 -13.761 11.119 1.00 0.00 H new ATOM 1207 N ASP A 78 -7.592 -18.229 14.058 1.00 0.00 N ATOM 1208 CA ASP A 78 -7.352 -18.463 15.492 1.00 0.00 C ATOM 1209 C ASP A 78 -6.220 -19.491 15.698 1.00 0.00 C ATOM 1210 O ASP A 78 -6.406 -20.564 16.281 1.00 0.00 O ATOM 1211 CB ASP A 78 -8.675 -18.871 16.163 1.00 0.00 C ATOM 1212 CG ASP A 78 -9.655 -17.693 16.290 1.00 0.00 C ATOM 1213 OD1 ASP A 78 -9.452 -16.833 17.181 1.00 0.00 O ATOM 1214 OD2 ASP A 78 -10.644 -17.634 15.520 1.00 0.00 O ATOM 0 H ASP A 78 -7.750 -19.095 13.543 1.00 0.00 H new ATOM 0 HA ASP A 78 -7.009 -17.546 15.972 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -9.142 -19.668 15.584 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -8.467 -19.276 17.153 1.00 0.00 H new ATOM 1219 N CYS A 79 -5.046 -19.157 15.154 1.00 0.00 N ATOM 1220 CA CYS A 79 -3.923 -20.055 14.891 1.00 0.00 C ATOM 1221 C CYS A 79 -2.571 -19.344 15.125 1.00 0.00 C ATOM 1222 O CYS A 79 -2.493 -18.341 15.843 1.00 0.00 O ATOM 1223 CB CYS A 79 -4.095 -20.514 13.436 1.00 0.00 C ATOM 1224 SG CYS A 79 -4.107 -22.309 13.227 1.00 0.00 S ATOM 0 H CYS A 79 -4.845 -18.198 14.870 1.00 0.00 H new ATOM 0 HA CYS A 79 -3.917 -20.908 15.569 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -5.028 -20.107 13.045 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -3.288 -20.094 12.836 1.00 0.00 H new ATOM 1229 N SER A 80 -1.506 -19.859 14.502 1.00 0.00 N ATOM 1230 CA SER A 80 -0.142 -19.302 14.572 1.00 0.00 C ATOM 1231 C SER A 80 0.593 -19.229 13.214 1.00 0.00 C ATOM 1232 O SER A 80 1.713 -18.717 13.136 1.00 0.00 O ATOM 1233 CB SER A 80 0.650 -20.115 15.607 1.00 0.00 C ATOM 1234 OG SER A 80 1.778 -19.406 16.096 1.00 0.00 O ATOM 0 H SER A 80 -1.565 -20.695 13.920 1.00 0.00 H new ATOM 0 HA SER A 80 -0.222 -18.259 14.878 1.00 0.00 H new ATOM 0 HB2 SER A 80 -0.003 -20.374 16.440 1.00 0.00 H new ATOM 0 HB3 SER A 80 0.979 -21.052 15.157 1.00 0.00 H new ATOM 0 HG SER A 80 2.199 -18.914 15.360 1.00 0.00 H new ATOM 1240 N HIS A 81 -0.019 -19.717 12.126 1.00 0.00 N ATOM 1241 CA HIS A 81 0.600 -19.874 10.807 1.00 0.00 C ATOM 1242 C HIS A 81 0.057 -18.905 9.735 1.00 0.00 C ATOM 1243 O HIS A 81 -1.078 -18.422 9.802 1.00 0.00 O ATOM 1244 CB HIS A 81 0.403 -21.337 10.401 1.00 0.00 C ATOM 1245 CG HIS A 81 0.984 -21.701 9.063 1.00 0.00 C ATOM 1246 ND1 HIS A 81 2.323 -21.766 8.743 1.00 0.00 N ATOM 1247 CD2 HIS A 81 0.264 -21.977 7.934 1.00 0.00 C ATOM 1248 CE1 HIS A 81 2.411 -22.068 7.436 1.00 0.00 C ATOM 1249 NE2 HIS A 81 1.183 -22.205 6.906 1.00 0.00 N ATOM 0 H HIS A 81 -0.992 -20.023 12.143 1.00 0.00 H new ATOM 0 HA HIS A 81 1.657 -19.616 10.877 1.00 0.00 H new ATOM 0 HB2 HIS A 81 0.852 -21.975 11.162 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -0.665 -21.556 10.390 1.00 0.00 H new ATOM 0 HD1 HIS A 81 3.104 -21.613 9.381 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -0.812 -22.012 7.852 1.00 0.00 H new ATOM 0 HE1 HIS A 81 3.336 -22.184 6.890 1.00 0.00 H new ATOM 1257 N VAL A 82 0.894 -18.653 8.722 1.00 0.00 N ATOM 1258 CA VAL A 82 0.684 -17.766 7.570 1.00 0.00 C ATOM 1259 C VAL A 82 1.348 -18.379 6.324 1.00 0.00 C ATOM 1260 O VAL A 82 2.489 -18.843 6.406 1.00 0.00 O ATOM 1261 CB VAL A 82 1.299 -16.371 7.849 1.00 0.00 C ATOM 1262 CG1 VAL A 82 0.838 -15.354 6.807 1.00 0.00 C ATOM 1263 CG2 VAL A 82 0.949 -15.787 9.226 1.00 0.00 C ATOM 0 H VAL A 82 1.810 -19.100 8.683 1.00 0.00 H new ATOM 0 HA VAL A 82 -0.387 -17.654 7.399 1.00 0.00 H new ATOM 0 HB VAL A 82 2.375 -16.541 7.809 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.283 -14.383 7.024 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.150 -15.682 5.815 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -0.248 -15.270 6.836 1.00 0.00 H new ATOM 0 HG21 VAL A 82 1.420 -14.810 9.337 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -0.132 -15.680 9.312 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.311 -16.455 10.007 1.00 0.00 H new ATOM 1273 N PHE A 83 0.669 -18.366 5.170 1.00 0.00 N ATOM 1274 CA PHE A 83 1.177 -18.874 3.883 1.00 0.00 C ATOM 1275 C PHE A 83 0.865 -17.939 2.692 1.00 0.00 C ATOM 1276 O PHE A 83 0.197 -16.913 2.845 1.00 0.00 O ATOM 1277 CB PHE A 83 0.677 -20.320 3.670 1.00 0.00 C ATOM 1278 CG PHE A 83 -0.828 -20.529 3.588 1.00 0.00 C ATOM 1279 CD1 PHE A 83 -1.553 -20.022 2.491 1.00 0.00 C ATOM 1280 CD2 PHE A 83 -1.508 -21.287 4.563 1.00 0.00 C ATOM 1281 CE1 PHE A 83 -2.929 -20.256 2.358 1.00 0.00 C ATOM 1282 CE2 PHE A 83 -2.891 -21.507 4.435 1.00 0.00 C ATOM 1283 CZ PHE A 83 -3.601 -21.007 3.333 1.00 0.00 C ATOM 0 H PHE A 83 -0.277 -17.991 5.101 1.00 0.00 H new ATOM 0 HA PHE A 83 2.266 -18.891 3.927 1.00 0.00 H new ATOM 0 HB2 PHE A 83 1.122 -20.699 2.750 1.00 0.00 H new ATOM 0 HB3 PHE A 83 1.060 -20.934 4.486 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.039 -19.442 1.739 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -0.969 -21.697 5.404 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -3.468 -19.860 1.510 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -3.414 -22.068 5.195 1.00 0.00 H new ATOM 0 HZ PHE A 83 -4.659 -21.199 3.236 1.00 0.00 H new ATOM 1293 N LYS A 84 1.333 -18.300 1.485 1.00 0.00 N ATOM 1294 CA LYS A 84 1.120 -17.553 0.226 1.00 0.00 C ATOM 1295 C LYS A 84 -0.075 -18.089 -0.591 1.00 0.00 C ATOM 1296 O LYS A 84 -0.291 -19.305 -0.601 1.00 0.00 O ATOM 1297 CB LYS A 84 2.425 -17.483 -0.598 1.00 0.00 C ATOM 1298 CG LYS A 84 2.857 -18.729 -1.393 1.00 0.00 C ATOM 1299 CD LYS A 84 3.218 -19.945 -0.523 1.00 0.00 C ATOM 1300 CE LYS A 84 4.018 -20.997 -1.304 1.00 0.00 C ATOM 1301 NZ LYS A 84 3.232 -21.625 -2.400 1.00 0.00 N ATOM 0 H LYS A 84 1.888 -19.145 1.351 1.00 0.00 H new ATOM 0 HA LYS A 84 0.849 -16.532 0.494 1.00 0.00 H new ATOM 0 HB2 LYS A 84 2.329 -16.657 -1.302 1.00 0.00 H new ATOM 0 HB3 LYS A 84 3.235 -17.227 0.085 1.00 0.00 H new ATOM 0 HG2 LYS A 84 2.051 -19.009 -2.071 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.718 -18.471 -2.010 1.00 0.00 H new ATOM 0 HD2 LYS A 84 3.799 -19.614 0.338 1.00 0.00 H new ATOM 0 HD3 LYS A 84 2.305 -20.398 -0.137 1.00 0.00 H new ATOM 0 HE2 LYS A 84 4.909 -20.531 -1.724 1.00 0.00 H new ATOM 0 HE3 LYS A 84 4.357 -21.772 -0.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.822 -22.326 -2.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.395 -22.096 -2.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.929 -20.893 -3.074 1.00 0.00 H new ATOM 1315 N PRO A 85 -0.855 -17.225 -1.271 1.00 0.00 N ATOM 1316 CA PRO A 85 -2.059 -17.626 -2.014 1.00 0.00 C ATOM 1317 C PRO A 85 -1.755 -18.409 -3.309 1.00 0.00 C ATOM 1318 O PRO A 85 -0.604 -18.722 -3.612 1.00 0.00 O ATOM 1319 CB PRO A 85 -2.823 -16.321 -2.269 1.00 0.00 C ATOM 1320 CG PRO A 85 -1.735 -15.254 -2.302 1.00 0.00 C ATOM 1321 CD PRO A 85 -0.666 -15.781 -1.347 1.00 0.00 C ATOM 0 HA PRO A 85 -2.654 -18.335 -1.439 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -3.373 -16.358 -3.209 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -3.550 -16.124 -1.481 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -1.339 -15.120 -3.309 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -2.116 -14.286 -1.978 1.00 0.00 H new ATOM 0 HD2 PRO A 85 0.333 -15.539 -1.711 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -0.766 -15.324 -0.362 1.00 0.00 H new ATOM 1329 N ASN A 86 -2.817 -18.748 -4.057 1.00 0.00 N ATOM 1330 CA ASN A 86 -2.869 -19.542 -5.303 1.00 0.00 C ATOM 1331 C ASN A 86 -2.744 -21.070 -5.090 1.00 0.00 C ATOM 1332 O ASN A 86 -3.010 -21.848 -6.007 1.00 0.00 O ATOM 1333 CB ASN A 86 -1.860 -18.995 -6.335 1.00 0.00 C ATOM 1334 CG ASN A 86 -2.118 -19.481 -7.753 1.00 0.00 C ATOM 1335 OD1 ASN A 86 -1.386 -20.289 -8.307 1.00 0.00 O ATOM 1336 ND2 ASN A 86 -3.153 -18.988 -8.400 1.00 0.00 N ATOM 0 H ASN A 86 -3.752 -18.446 -3.782 1.00 0.00 H new ATOM 0 HA ASN A 86 -3.873 -19.417 -5.710 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -1.893 -17.906 -6.321 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -0.853 -19.287 -6.037 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -3.341 -19.280 -9.359 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -3.767 -18.314 -7.942 1.00 0.00 H new ATOM 1343 N ALA A 87 -2.395 -21.512 -3.879 1.00 0.00 N ATOM 1344 CA ALA A 87 -2.365 -22.914 -3.473 1.00 0.00 C ATOM 1345 C ALA A 87 -3.757 -23.577 -3.554 1.00 0.00 C ATOM 1346 O ALA A 87 -4.719 -23.097 -2.949 1.00 0.00 O ATOM 1347 CB ALA A 87 -1.797 -22.982 -2.054 1.00 0.00 C ATOM 0 H ALA A 87 -2.116 -20.879 -3.130 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.731 -23.474 -4.160 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.763 -24.021 -1.725 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -0.790 -22.566 -2.045 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.433 -22.408 -1.380 1.00 0.00 H new ATOM 1353 N LEU A 88 -3.849 -24.692 -4.287 1.00 0.00 N ATOM 1354 CA LEU A 88 -5.086 -25.443 -4.544 1.00 0.00 C ATOM 1355 C LEU A 88 -5.051 -26.896 -4.035 1.00 0.00 C ATOM 1356 O LEU A 88 -6.059 -27.397 -3.538 1.00 0.00 O ATOM 1357 CB LEU A 88 -5.461 -25.352 -6.040 1.00 0.00 C ATOM 1358 CG LEU A 88 -4.536 -26.072 -7.050 1.00 0.00 C ATOM 1359 CD1 LEU A 88 -5.273 -26.245 -8.379 1.00 0.00 C ATOM 1360 CD2 LEU A 88 -3.237 -25.318 -7.352 1.00 0.00 C ATOM 0 H LEU A 88 -3.035 -25.113 -4.735 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.873 -24.970 -3.958 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -6.468 -25.753 -6.160 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.503 -24.298 -6.313 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.275 -27.023 -6.585 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.623 -26.752 -9.092 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.173 -26.840 -8.221 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -5.549 -25.267 -8.772 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.644 -25.887 -8.068 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.473 -24.340 -7.773 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.669 -25.189 -6.431 1.00 0.00 H new ATOM 1372 N ASP A 89 -3.895 -27.564 -4.104 1.00 0.00 N ATOM 1373 CA ASP A 89 -3.697 -28.930 -3.588 1.00 0.00 C ATOM 1374 C ASP A 89 -3.483 -28.960 -2.058 1.00 0.00 C ATOM 1375 O ASP A 89 -3.715 -29.979 -1.404 1.00 0.00 O ATOM 1376 CB ASP A 89 -2.503 -29.547 -4.331 1.00 0.00 C ATOM 1377 CG ASP A 89 -2.255 -31.017 -3.949 1.00 0.00 C ATOM 1378 OD1 ASP A 89 -3.084 -31.886 -4.312 1.00 0.00 O ATOM 1379 OD2 ASP A 89 -1.211 -31.311 -3.317 1.00 0.00 O ATOM 0 H ASP A 89 -3.055 -27.168 -4.526 1.00 0.00 H new ATOM 0 HA ASP A 89 -4.599 -29.514 -3.768 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -2.676 -29.480 -5.405 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -1.607 -28.965 -4.116 1.00 0.00 H new ATOM 1384 N TYR A 90 -3.075 -27.822 -1.488 1.00 0.00 N ATOM 1385 CA TYR A 90 -2.746 -27.608 -0.070 1.00 0.00 C ATOM 1386 C TYR A 90 -3.277 -26.256 0.463 1.00 0.00 C ATOM 1387 O TYR A 90 -2.663 -25.619 1.318 1.00 0.00 O ATOM 1388 CB TYR A 90 -1.239 -27.827 0.146 1.00 0.00 C ATOM 1389 CG TYR A 90 -0.333 -27.047 -0.785 1.00 0.00 C ATOM 1390 CD1 TYR A 90 0.098 -25.755 -0.438 1.00 0.00 C ATOM 1391 CD2 TYR A 90 0.067 -27.627 -2.002 1.00 0.00 C ATOM 1392 CE1 TYR A 90 0.934 -25.037 -1.314 1.00 0.00 C ATOM 1393 CE2 TYR A 90 0.899 -26.913 -2.888 1.00 0.00 C ATOM 1394 CZ TYR A 90 1.333 -25.611 -2.542 1.00 0.00 C ATOM 1395 OH TYR A 90 2.134 -24.899 -3.383 1.00 0.00 O ATOM 0 H TYR A 90 -2.957 -26.970 -2.037 1.00 0.00 H new ATOM 0 HA TYR A 90 -3.268 -28.349 0.535 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -0.993 -27.560 1.174 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -1.023 -28.889 0.032 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -0.211 -25.314 0.498 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -0.264 -28.622 -2.259 1.00 0.00 H new ATOM 0 HE1 TYR A 90 1.271 -24.046 -1.047 1.00 0.00 H new ATOM 0 HE2 TYR A 90 1.203 -27.356 -3.825 1.00 0.00 H new ATOM 0 HH TYR A 90 2.321 -25.431 -4.185 1.00 0.00 H new ATOM 1405 N GLY A 91 -4.427 -25.794 -0.050 1.00 0.00 N ATOM 1406 CA GLY A 91 -5.026 -24.481 0.255 1.00 0.00 C ATOM 1407 C GLY A 91 -5.610 -24.306 1.671 1.00 0.00 C ATOM 1408 O GLY A 91 -6.036 -23.204 2.024 1.00 0.00 O ATOM 0 H GLY A 91 -4.984 -26.338 -0.708 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -4.266 -23.715 0.102 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -5.820 -24.291 -0.468 1.00 0.00 H new ATOM 1412 N VAL A 92 -5.655 -25.367 2.484 1.00 0.00 N ATOM 1413 CA VAL A 92 -5.988 -25.317 3.923 1.00 0.00 C ATOM 1414 C VAL A 92 -4.849 -24.728 4.776 1.00 0.00 C ATOM 1415 O VAL A 92 -3.688 -24.725 4.360 1.00 0.00 O ATOM 1416 CB VAL A 92 -6.339 -26.717 4.467 1.00 0.00 C ATOM 1417 CG1 VAL A 92 -7.662 -27.238 3.897 1.00 0.00 C ATOM 1418 CG2 VAL A 92 -5.261 -27.771 4.193 1.00 0.00 C ATOM 0 H VAL A 92 -5.456 -26.312 2.156 1.00 0.00 H new ATOM 0 HA VAL A 92 -6.854 -24.660 4.002 1.00 0.00 H new ATOM 0 HB VAL A 92 -6.419 -26.574 5.545 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -7.870 -28.226 4.307 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -8.468 -26.556 4.167 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -7.590 -27.303 2.811 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -5.577 -28.730 4.604 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -5.112 -27.868 3.118 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -4.326 -27.465 4.662 1.00 0.00 H new ATOM 1428 N CYS A 93 -5.159 -24.295 6.004 1.00 0.00 N ATOM 1429 CA CYS A 93 -4.166 -24.040 7.050 1.00 0.00 C ATOM 1430 C CYS A 93 -3.391 -25.331 7.386 1.00 0.00 C ATOM 1431 O CYS A 93 -3.957 -26.417 7.552 1.00 0.00 O ATOM 1432 CB CYS A 93 -4.844 -23.314 8.223 1.00 0.00 C ATOM 1433 SG CYS A 93 -3.878 -23.406 9.764 1.00 0.00 S ATOM 0 H CYS A 93 -6.117 -24.110 6.301 1.00 0.00 H new ATOM 0 HA CYS A 93 -3.385 -23.358 6.712 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -4.997 -22.268 7.957 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -5.830 -23.747 8.391 1.00 0.00 H new ATOM 1438 N GLU A 94 -2.060 -25.214 7.416 1.00 0.00 N ATOM 1439 CA GLU A 94 -1.141 -26.317 7.715 1.00 0.00 C ATOM 1440 C GLU A 94 -1.372 -26.885 9.119 1.00 0.00 C ATOM 1441 O GLU A 94 -1.221 -28.089 9.351 1.00 0.00 O ATOM 1442 CB GLU A 94 0.309 -25.824 7.643 1.00 0.00 C ATOM 1443 CG GLU A 94 0.780 -25.506 6.224 1.00 0.00 C ATOM 1444 CD GLU A 94 1.151 -26.783 5.443 1.00 0.00 C ATOM 1445 OE1 GLU A 94 0.251 -27.438 4.865 1.00 0.00 O ATOM 1446 OE2 GLU A 94 2.352 -27.148 5.407 1.00 0.00 O ATOM 0 H GLU A 94 -1.582 -24.333 7.229 1.00 0.00 H new ATOM 0 HA GLU A 94 -1.328 -27.097 6.977 1.00 0.00 H new ATOM 0 HB2 GLU A 94 0.411 -24.930 8.259 1.00 0.00 H new ATOM 0 HB3 GLU A 94 0.963 -26.583 8.072 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -0.006 -24.970 5.692 1.00 0.00 H new ATOM 0 HG3 GLU A 94 1.644 -24.843 6.268 1.00 0.00 H new ATOM 1453 N LYS A 95 -1.720 -26.000 10.059 1.00 0.00 N ATOM 1454 CA LYS A 95 -1.972 -26.349 11.472 1.00 0.00 C ATOM 1455 C LYS A 95 -3.353 -26.978 11.667 1.00 0.00 C ATOM 1456 O LYS A 95 -3.480 -27.989 12.360 1.00 0.00 O ATOM 1457 CB LYS A 95 -1.856 -25.121 12.393 1.00 0.00 C ATOM 1458 CG LYS A 95 -0.676 -24.182 12.124 1.00 0.00 C ATOM 1459 CD LYS A 95 0.691 -24.865 12.061 1.00 0.00 C ATOM 1460 CE LYS A 95 1.067 -25.543 13.386 1.00 0.00 C ATOM 1461 NZ LYS A 95 2.414 -26.168 13.319 1.00 0.00 N ATOM 0 H LYS A 95 -1.838 -25.006 9.863 1.00 0.00 H new ATOM 0 HA LYS A 95 -1.206 -27.076 11.741 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -2.778 -24.545 12.313 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -1.787 -25.471 13.423 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -0.851 -23.664 11.181 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -0.650 -23.422 12.905 1.00 0.00 H new ATOM 0 HD2 LYS A 95 0.686 -25.608 11.264 1.00 0.00 H new ATOM 0 HD3 LYS A 95 1.451 -24.127 11.805 1.00 0.00 H new ATOM 0 HE2 LYS A 95 1.046 -24.808 14.190 1.00 0.00 H new ATOM 0 HE3 LYS A 95 0.325 -26.303 13.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 2.634 -26.616 14.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 2.426 -26.887 12.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 3.125 -25.438 13.111 1.00 0.00 H new ATOM 1475 N CYS A 96 -4.368 -26.360 11.062 1.00 0.00 N ATOM 1476 CA CYS A 96 -5.779 -26.733 11.141 1.00 0.00 C ATOM 1477 C CYS A 96 -6.422 -26.806 9.734 1.00 0.00 C ATOM 1478 O CYS A 96 -6.596 -25.808 9.046 1.00 0.00 O ATOM 1479 CB CYS A 96 -6.498 -25.853 12.190 1.00 0.00 C ATOM 1480 SG CYS A 96 -6.861 -24.150 11.720 1.00 0.00 S ATOM 0 H CYS A 96 -4.219 -25.542 10.472 1.00 0.00 H new ATOM 0 HA CYS A 96 -5.891 -27.751 11.514 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -7.437 -26.339 12.453 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -5.886 -25.832 13.092 1.00 0.00 H new ATOM 1485 N HIS A 97 -6.703 -28.028 9.274 1.00 0.00 N ATOM 1486 CA HIS A 97 -7.112 -28.413 7.911 1.00 0.00 C ATOM 1487 C HIS A 97 -8.480 -27.865 7.415 1.00 0.00 C ATOM 1488 O HIS A 97 -9.372 -28.611 7.001 1.00 0.00 O ATOM 1489 CB HIS A 97 -6.993 -29.940 7.771 1.00 0.00 C ATOM 1490 CG HIS A 97 -7.890 -30.748 8.689 1.00 0.00 C ATOM 1491 ND1 HIS A 97 -7.854 -30.769 10.059 1.00 0.00 N flip ATOM 1492 CD2 HIS A 97 -8.903 -31.593 8.292 1.00 0.00 C flip ATOM 1493 CE1 HIS A 97 -8.860 -31.642 10.497 1.00 0.00 C flip ATOM 1494 NE2 HIS A 97 -9.468 -32.115 9.394 1.00 0.00 N flip ATOM 0 H HIS A 97 -6.648 -28.840 9.889 1.00 0.00 H new ATOM 0 HA HIS A 97 -6.420 -27.913 7.233 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -7.217 -30.212 6.740 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -5.958 -30.226 7.958 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -9.193 -31.800 7.272 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -9.100 -31.887 11.521 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -10.246 -32.775 9.394 1.00 0.00 H new ATOM 1502 N SER A 98 -8.610 -26.540 7.386 1.00 0.00 N ATOM 1503 CA SER A 98 -9.721 -25.739 6.856 1.00 0.00 C ATOM 1504 C SER A 98 -9.190 -24.531 6.069 1.00 0.00 C ATOM 1505 O SER A 98 -8.066 -24.074 6.288 1.00 0.00 O ATOM 1506 CB SER A 98 -10.613 -25.253 8.009 1.00 0.00 C ATOM 1507 OG SER A 98 -11.322 -26.337 8.593 1.00 0.00 O ATOM 0 H SER A 98 -7.876 -25.942 7.766 1.00 0.00 H new ATOM 0 HA SER A 98 -10.307 -26.365 6.183 1.00 0.00 H new ATOM 0 HB2 SER A 98 -10.001 -24.764 8.766 1.00 0.00 H new ATOM 0 HB3 SER A 98 -11.318 -24.509 7.640 1.00 0.00 H new ATOM 0 HG SER A 98 -11.882 -26.005 9.326 1.00 0.00 H new ATOM 1513 N LYS A 99 -9.996 -23.994 5.144 1.00 0.00 N ATOM 1514 CA LYS A 99 -9.645 -22.882 4.228 1.00 0.00 C ATOM 1515 C LYS A 99 -10.063 -21.493 4.751 1.00 0.00 C ATOM 1516 O LYS A 99 -10.245 -20.555 3.976 1.00 0.00 O ATOM 1517 CB LYS A 99 -10.204 -23.177 2.820 1.00 0.00 C ATOM 1518 CG LYS A 99 -9.761 -24.558 2.312 1.00 0.00 C ATOM 1519 CD LYS A 99 -10.070 -24.764 0.826 1.00 0.00 C ATOM 1520 CE LYS A 99 -9.686 -26.189 0.406 1.00 0.00 C ATOM 1521 NZ LYS A 99 -10.744 -27.184 0.741 1.00 0.00 N ATOM 0 H LYS A 99 -10.949 -24.329 5.001 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.558 -22.832 4.172 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -11.293 -23.130 2.843 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -9.866 -22.408 2.125 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -8.690 -24.676 2.477 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -10.260 -25.333 2.894 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -11.130 -24.594 0.639 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -9.520 -24.038 0.227 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -9.498 -26.210 -0.667 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -8.756 -26.472 0.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -10.439 -28.131 0.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -10.907 -27.185 1.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -11.626 -26.931 0.251 1.00 0.00 H new ATOM 1535 N ASN A 100 -10.236 -21.358 6.068 1.00 0.00 N ATOM 1536 CA ASN A 100 -10.740 -20.169 6.779 1.00 0.00 C ATOM 1537 C ASN A 100 -9.811 -18.928 6.774 1.00 0.00 C ATOM 1538 O ASN A 100 -10.148 -17.918 7.393 1.00 0.00 O ATOM 1539 CB ASN A 100 -11.071 -20.594 8.224 1.00 0.00 C ATOM 1540 CG ASN A 100 -9.836 -21.013 9.005 1.00 0.00 C ATOM 1541 OD1 ASN A 100 -9.512 -22.185 9.094 1.00 0.00 O ATOM 1542 ND2 ASN A 100 -9.106 -20.069 9.553 1.00 0.00 N ATOM 0 H ASN A 100 -10.016 -22.119 6.710 1.00 0.00 H new ATOM 0 HA ASN A 100 -11.619 -19.828 6.233 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -11.560 -19.767 8.740 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -11.781 -21.421 8.203 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -8.256 -20.312 10.061 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -9.389 -19.093 9.470 1.00 0.00 H new ATOM 1549 N VAL A 101 -8.627 -19.007 6.160 1.00 0.00 N ATOM 1550 CA VAL A 101 -7.605 -17.947 6.119 1.00 0.00 C ATOM 1551 C VAL A 101 -8.111 -16.596 5.581 1.00 0.00 C ATOM 1552 O VAL A 101 -9.030 -16.539 4.758 1.00 0.00 O ATOM 1553 CB VAL A 101 -6.374 -18.396 5.300 1.00 0.00 C ATOM 1554 CG1 VAL A 101 -5.618 -19.530 6.000 1.00 0.00 C ATOM 1555 CG2 VAL A 101 -6.718 -18.869 3.879 1.00 0.00 C ATOM 0 H VAL A 101 -8.338 -19.845 5.655 1.00 0.00 H new ATOM 0 HA VAL A 101 -7.329 -17.785 7.161 1.00 0.00 H new ATOM 0 HB VAL A 101 -5.753 -17.503 5.227 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -4.758 -19.821 5.396 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -5.277 -19.190 6.978 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -6.281 -20.387 6.124 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -5.805 -19.168 3.364 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -7.399 -19.718 3.933 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -7.194 -18.056 3.330 1.00 0.00 H new ATOM 1565 N ILE A 102 -7.464 -15.505 6.007 1.00 0.00 N ATOM 1566 CA ILE A 102 -7.710 -14.118 5.572 1.00 0.00 C ATOM 1567 C ILE A 102 -6.420 -13.394 5.150 1.00 0.00 C ATOM 1568 O ILE A 102 -5.324 -13.723 5.603 1.00 0.00 O ATOM 1569 CB ILE A 102 -8.465 -13.298 6.645 1.00 0.00 C ATOM 1570 CG1 ILE A 102 -7.717 -13.144 7.993 1.00 0.00 C ATOM 1571 CG2 ILE A 102 -9.906 -13.810 6.814 1.00 0.00 C ATOM 1572 CD1 ILE A 102 -7.905 -14.265 9.027 1.00 0.00 C ATOM 0 H ILE A 102 -6.717 -15.564 6.699 1.00 0.00 H new ATOM 0 HA ILE A 102 -8.348 -14.192 4.691 1.00 0.00 H new ATOM 0 HB ILE A 102 -8.511 -12.278 6.262 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -6.652 -13.054 7.781 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -8.032 -12.206 8.450 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -10.416 -13.218 7.574 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -10.437 -13.720 5.867 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -9.887 -14.856 7.122 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -7.329 -14.034 9.923 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -8.961 -14.348 9.286 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -7.559 -15.209 8.607 1.00 0.00 H new ATOM 1584 N ILE A 103 -6.547 -12.396 4.269 1.00 0.00 N ATOM 1585 CA ILE A 103 -5.436 -11.659 3.660 1.00 0.00 C ATOM 1586 C ILE A 103 -4.900 -10.655 4.690 1.00 0.00 C ATOM 1587 O ILE A 103 -5.564 -9.665 5.006 1.00 0.00 O ATOM 1588 CB ILE A 103 -5.855 -10.964 2.339 1.00 0.00 C ATOM 1589 CG1 ILE A 103 -6.455 -11.887 1.248 1.00 0.00 C ATOM 1590 CG2 ILE A 103 -4.612 -10.308 1.709 1.00 0.00 C ATOM 1591 CD1 ILE A 103 -7.886 -12.392 1.490 1.00 0.00 C ATOM 0 H ILE A 103 -7.459 -12.068 3.950 1.00 0.00 H new ATOM 0 HA ILE A 103 -4.645 -12.357 3.387 1.00 0.00 H new ATOM 0 HB ILE A 103 -6.637 -10.264 2.634 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -6.438 -11.350 0.300 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -5.802 -12.752 1.136 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -4.893 -9.815 0.778 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -4.200 -9.572 2.399 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -3.862 -11.072 1.503 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -8.193 -13.027 0.659 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -7.918 -12.966 2.416 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -8.564 -11.542 1.567 1.00 0.00 H new ATOM 1603 N THR A 104 -3.712 -10.917 5.236 1.00 0.00 N ATOM 1604 CA THR A 104 -3.079 -10.095 6.287 1.00 0.00 C ATOM 1605 C THR A 104 -2.137 -9.021 5.719 1.00 0.00 C ATOM 1606 O THR A 104 -1.661 -8.135 6.431 1.00 0.00 O ATOM 1607 CB THR A 104 -2.373 -11.016 7.297 1.00 0.00 C ATOM 1608 OG1 THR A 104 -2.011 -10.323 8.467 1.00 0.00 O ATOM 1609 CG2 THR A 104 -1.137 -11.736 6.754 1.00 0.00 C ATOM 0 H THR A 104 -3.146 -11.720 4.960 1.00 0.00 H new ATOM 0 HA THR A 104 -3.861 -9.539 6.804 1.00 0.00 H new ATOM 0 HB THR A 104 -3.119 -11.779 7.518 1.00 0.00 H new ATOM 0 HG1 THR A 104 -2.107 -10.916 9.241 1.00 0.00 H new ATOM 0 HG21 THR A 104 -0.707 -12.361 7.536 1.00 0.00 H new ATOM 0 HG22 THR A 104 -1.422 -12.360 5.907 1.00 0.00 H new ATOM 0 HG23 THR A 104 -0.400 -11.001 6.431 1.00 0.00 H new ATOM 1617 N GLN A 105 -1.869 -9.086 4.412 1.00 0.00 N ATOM 1618 CA GLN A 105 -0.866 -8.302 3.696 1.00 0.00 C ATOM 1619 C GLN A 105 -1.294 -8.207 2.232 1.00 0.00 C ATOM 1620 O GLN A 105 -1.623 -9.220 1.613 1.00 0.00 O ATOM 1621 CB GLN A 105 0.499 -8.997 3.869 1.00 0.00 C ATOM 1622 CG GLN A 105 1.592 -8.592 2.869 1.00 0.00 C ATOM 1623 CD GLN A 105 1.872 -7.087 2.811 1.00 0.00 C ATOM 1624 OE1 GLN A 105 1.971 -6.401 3.820 1.00 0.00 O ATOM 1625 NE2 GLN A 105 1.982 -6.518 1.630 1.00 0.00 N ATOM 0 H GLN A 105 -2.374 -9.722 3.795 1.00 0.00 H new ATOM 0 HA GLN A 105 -0.777 -7.288 4.086 1.00 0.00 H new ATOM 0 HB2 GLN A 105 0.863 -8.794 4.876 1.00 0.00 H new ATOM 0 HB3 GLN A 105 0.348 -10.074 3.796 1.00 0.00 H new ATOM 0 HG2 GLN A 105 2.515 -9.111 3.128 1.00 0.00 H new ATOM 0 HG3 GLN A 105 1.303 -8.934 1.875 1.00 0.00 H new ATOM 0 HE21 GLN A 105 1.901 -7.081 0.783 1.00 0.00 H new ATOM 0 HE22 GLN A 105 2.148 -5.514 1.561 1.00 0.00 H new ATOM 1634 N GLY A 106 -1.302 -6.992 1.685 1.00 0.00 N ATOM 1635 CA GLY A 106 -1.637 -6.719 0.287 1.00 0.00 C ATOM 1636 C GLY A 106 -3.136 -6.767 -0.049 1.00 0.00 C ATOM 1637 O GLY A 106 -3.497 -6.853 -1.222 1.00 0.00 O ATOM 0 H GLY A 106 -1.071 -6.151 2.213 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -1.254 -5.733 0.024 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -1.117 -7.441 -0.342 1.00 0.00 H new ATOM 1641 N ASN A 107 -4.012 -6.726 0.964 1.00 0.00 N ATOM 1642 CA ASN A 107 -5.471 -6.676 0.796 1.00 0.00 C ATOM 1643 C ASN A 107 -5.967 -5.310 0.262 1.00 0.00 C ATOM 1644 O ASN A 107 -7.003 -5.227 -0.398 1.00 0.00 O ATOM 1645 CB ASN A 107 -6.108 -6.995 2.165 1.00 0.00 C ATOM 1646 CG ASN A 107 -7.562 -7.444 2.090 1.00 0.00 C ATOM 1647 OD1 ASN A 107 -8.104 -7.795 1.052 1.00 0.00 O ATOM 1648 ND2 ASN A 107 -8.235 -7.484 3.216 1.00 0.00 N ATOM 0 H ASN A 107 -3.721 -6.727 1.942 1.00 0.00 H new ATOM 0 HA ASN A 107 -5.768 -7.409 0.046 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -5.523 -7.776 2.652 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -6.046 -6.109 2.797 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -9.203 -7.806 3.221 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -7.790 -7.193 4.087 1.00 0.00 H new ATOM 1655 N GLU A 108 -5.229 -4.235 0.558 1.00 0.00 N ATOM 1656 CA GLU A 108 -5.495 -2.849 0.150 1.00 0.00 C ATOM 1657 C GLU A 108 -4.191 -2.042 -0.033 1.00 0.00 C ATOM 1658 O GLU A 108 -3.106 -2.491 0.350 1.00 0.00 O ATOM 1659 CB GLU A 108 -6.433 -2.187 1.178 1.00 0.00 C ATOM 1660 CG GLU A 108 -5.837 -2.043 2.589 1.00 0.00 C ATOM 1661 CD GLU A 108 -6.885 -1.481 3.570 1.00 0.00 C ATOM 1662 OE1 GLU A 108 -7.063 -0.240 3.637 1.00 0.00 O ATOM 1663 OE2 GLU A 108 -7.539 -2.277 4.288 1.00 0.00 O ATOM 0 H GLU A 108 -4.382 -4.312 1.121 1.00 0.00 H new ATOM 0 HA GLU A 108 -5.986 -2.859 -0.823 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -6.711 -1.198 0.813 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -7.350 -2.772 1.243 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -5.486 -3.013 2.941 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -4.971 -1.382 2.557 1.00 0.00 H new ATOM 1670 N MET A 109 -4.290 -0.845 -0.620 1.00 0.00 N ATOM 1671 CA MET A 109 -3.165 0.080 -0.835 1.00 0.00 C ATOM 1672 C MET A 109 -2.813 0.934 0.400 1.00 0.00 C ATOM 1673 O MET A 109 -3.648 1.132 1.289 1.00 0.00 O ATOM 1674 CB MET A 109 -3.482 0.991 -2.034 1.00 0.00 C ATOM 1675 CG MET A 109 -4.672 1.933 -1.805 1.00 0.00 C ATOM 1676 SD MET A 109 -5.097 3.002 -3.206 1.00 0.00 S ATOM 1677 CE MET A 109 -3.621 4.048 -3.291 1.00 0.00 C ATOM 0 H MET A 109 -5.176 -0.480 -0.969 1.00 0.00 H new ATOM 0 HA MET A 109 -2.286 -0.533 -1.034 1.00 0.00 H new ATOM 0 HB2 MET A 109 -2.600 1.587 -2.268 1.00 0.00 H new ATOM 0 HB3 MET A 109 -3.687 0.369 -2.906 1.00 0.00 H new ATOM 0 HG2 MET A 109 -5.545 1.333 -1.550 1.00 0.00 H new ATOM 0 HG3 MET A 109 -4.455 2.563 -0.942 1.00 0.00 H new ATOM 0 HE1 MET A 109 -3.750 4.797 -4.072 1.00 0.00 H new ATOM 0 HE2 MET A 109 -3.472 4.545 -2.333 1.00 0.00 H new ATOM 0 HE3 MET A 109 -2.751 3.432 -3.519 1.00 0.00 H new ATOM 1687 N ARG A 110 -1.601 1.511 0.419 1.00 0.00 N ATOM 1688 CA ARG A 110 -1.131 2.539 1.375 1.00 0.00 C ATOM 1689 C ARG A 110 0.049 3.346 0.819 1.00 0.00 C ATOM 1690 O ARG A 110 0.808 2.837 -0.003 1.00 0.00 O ATOM 1691 CB ARG A 110 -0.738 1.876 2.713 1.00 0.00 C ATOM 1692 CG ARG A 110 0.420 0.863 2.603 1.00 0.00 C ATOM 1693 CD ARG A 110 0.700 0.172 3.943 1.00 0.00 C ATOM 1694 NE ARG A 110 1.176 1.124 4.969 1.00 0.00 N ATOM 1695 CZ ARG A 110 1.047 1.020 6.280 1.00 0.00 C ATOM 1696 NH1 ARG A 110 0.478 -0.009 6.844 1.00 0.00 N ATOM 1697 NH2 ARG A 110 1.495 1.959 7.063 1.00 0.00 N ATOM 0 H ARG A 110 -0.884 1.265 -0.263 1.00 0.00 H new ATOM 0 HA ARG A 110 -1.954 3.235 1.540 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -0.458 2.655 3.423 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -1.611 1.369 3.124 1.00 0.00 H new ATOM 0 HG2 ARG A 110 0.177 0.113 1.851 1.00 0.00 H new ATOM 0 HG3 ARG A 110 1.320 1.375 2.263 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -0.208 -0.317 4.296 1.00 0.00 H new ATOM 0 HD3 ARG A 110 1.447 -0.609 3.799 1.00 0.00 H new ATOM 0 HE ARG A 110 1.658 1.955 4.626 1.00 0.00 H new ATOM 0 HH11 ARG A 110 0.114 -0.769 6.269 1.00 0.00 H new ATOM 0 HH12 ARG A 110 0.397 -0.054 7.860 1.00 0.00 H new ATOM 0 HH21 ARG A 110 1.949 2.781 6.665 1.00 0.00 H new ATOM 0 HH22 ARG A 110 1.392 1.872 8.074 1.00 0.00 H new ATOM 1711 N LEU A 111 0.267 4.574 1.295 1.00 0.00 N ATOM 1712 CA LEU A 111 1.516 5.309 1.028 1.00 0.00 C ATOM 1713 C LEU A 111 2.739 4.630 1.682 1.00 0.00 C ATOM 1714 O LEU A 111 2.599 3.891 2.660 1.00 0.00 O ATOM 1715 CB LEU A 111 1.379 6.798 1.410 1.00 0.00 C ATOM 1716 CG LEU A 111 1.575 7.174 2.895 1.00 0.00 C ATOM 1717 CD1 LEU A 111 1.519 8.696 3.030 1.00 0.00 C ATOM 1718 CD2 LEU A 111 0.512 6.576 3.817 1.00 0.00 C ATOM 0 H LEU A 111 -0.404 5.085 1.869 1.00 0.00 H new ATOM 0 HA LEU A 111 1.698 5.276 -0.046 1.00 0.00 H new ATOM 0 HB2 LEU A 111 2.101 7.364 0.822 1.00 0.00 H new ATOM 0 HB3 LEU A 111 0.387 7.133 1.106 1.00 0.00 H new ATOM 0 HG LEU A 111 2.540 6.768 3.199 1.00 0.00 H new ATOM 0 HD11 LEU A 111 1.656 8.974 4.075 1.00 0.00 H new ATOM 0 HD12 LEU A 111 2.310 9.144 2.429 1.00 0.00 H new ATOM 0 HD13 LEU A 111 0.551 9.057 2.683 1.00 0.00 H new ATOM 0 HD21 LEU A 111 0.710 6.880 4.845 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -0.473 6.933 3.516 1.00 0.00 H new ATOM 0 HD23 LEU A 111 0.541 5.489 3.748 1.00 0.00 H new ATOM 1730 N LEU A 112 3.939 4.916 1.163 1.00 0.00 N ATOM 1731 CA LEU A 112 5.215 4.372 1.642 1.00 0.00 C ATOM 1732 C LEU A 112 6.210 5.490 2.010 1.00 0.00 C ATOM 1733 O LEU A 112 6.617 5.581 3.170 1.00 0.00 O ATOM 1734 CB LEU A 112 5.805 3.390 0.606 1.00 0.00 C ATOM 1735 CG LEU A 112 4.962 2.124 0.351 1.00 0.00 C ATOM 1736 CD1 LEU A 112 5.588 1.313 -0.786 1.00 0.00 C ATOM 1737 CD2 LEU A 112 4.869 1.214 1.577 1.00 0.00 C ATOM 0 H LEU A 112 4.052 5.552 0.374 1.00 0.00 H new ATOM 0 HA LEU A 112 5.024 3.815 2.559 1.00 0.00 H new ATOM 0 HB2 LEU A 112 5.935 3.918 -0.339 1.00 0.00 H new ATOM 0 HB3 LEU A 112 6.797 3.086 0.940 1.00 0.00 H new ATOM 0 HG LEU A 112 3.958 2.465 0.100 1.00 0.00 H new ATOM 0 HD11 LEU A 112 4.992 0.418 -0.966 1.00 0.00 H new ATOM 0 HD12 LEU A 112 5.616 1.918 -1.692 1.00 0.00 H new ATOM 0 HD13 LEU A 112 6.602 1.024 -0.511 1.00 0.00 H new ATOM 0 HD21 LEU A 112 4.264 0.340 1.336 1.00 0.00 H new ATOM 0 HD22 LEU A 112 5.869 0.893 1.869 1.00 0.00 H new ATOM 0 HD23 LEU A 112 4.408 1.759 2.401 1.00 0.00 H new ATOM 1749 N SER A 113 6.580 6.343 1.045 1.00 0.00 N ATOM 1750 CA SER A 113 7.596 7.407 1.203 1.00 0.00 C ATOM 1751 C SER A 113 7.273 8.664 0.380 1.00 0.00 C ATOM 1752 O SER A 113 6.429 8.635 -0.516 1.00 0.00 O ATOM 1753 CB SER A 113 8.987 6.894 0.778 1.00 0.00 C ATOM 1754 OG SER A 113 9.372 5.736 1.504 1.00 0.00 O ATOM 0 H SER A 113 6.175 6.316 0.109 1.00 0.00 H new ATOM 0 HA SER A 113 7.590 7.676 2.259 1.00 0.00 H new ATOM 0 HB2 SER A 113 8.980 6.668 -0.288 1.00 0.00 H new ATOM 0 HB3 SER A 113 9.726 7.680 0.932 1.00 0.00 H new ATOM 0 HG SER A 113 10.257 5.441 1.205 1.00 0.00 H new ATOM 1760 N LEU A 114 7.978 9.768 0.645 1.00 0.00 N ATOM 1761 CA LEU A 114 7.996 10.987 -0.174 1.00 0.00 C ATOM 1762 C LEU A 114 9.444 11.499 -0.276 1.00 0.00 C ATOM 1763 O LEU A 114 9.994 12.056 0.676 1.00 0.00 O ATOM 1764 CB LEU A 114 7.107 12.106 0.398 1.00 0.00 C ATOM 1765 CG LEU A 114 5.607 11.820 0.606 1.00 0.00 C ATOM 1766 CD1 LEU A 114 5.285 11.130 1.938 1.00 0.00 C ATOM 1767 CD2 LEU A 114 4.855 13.150 0.628 1.00 0.00 C ATOM 0 H LEU A 114 8.576 9.841 1.468 1.00 0.00 H new ATOM 0 HA LEU A 114 7.597 10.726 -1.154 1.00 0.00 H new ATOM 0 HB2 LEU A 114 7.525 12.402 1.360 1.00 0.00 H new ATOM 0 HB3 LEU A 114 7.191 12.968 -0.264 1.00 0.00 H new ATOM 0 HG LEU A 114 5.311 11.159 -0.209 1.00 0.00 H new ATOM 0 HD11 LEU A 114 4.210 10.962 2.011 1.00 0.00 H new ATOM 0 HD12 LEU A 114 5.806 10.174 1.987 1.00 0.00 H new ATOM 0 HD13 LEU A 114 5.610 11.763 2.764 1.00 0.00 H new ATOM 0 HD21 LEU A 114 3.791 12.964 0.775 1.00 0.00 H new ATOM 0 HD22 LEU A 114 5.231 13.767 1.444 1.00 0.00 H new ATOM 0 HD23 LEU A 114 5.006 13.669 -0.319 1.00 0.00 H new ATOM 1779 N GLU A 115 10.076 11.293 -1.423 1.00 0.00 N ATOM 1780 CA GLU A 115 11.378 11.885 -1.751 1.00 0.00 C ATOM 1781 C GLU A 115 11.210 13.367 -2.122 1.00 0.00 C ATOM 1782 O GLU A 115 10.255 13.736 -2.811 1.00 0.00 O ATOM 1783 CB GLU A 115 12.038 11.133 -2.921 1.00 0.00 C ATOM 1784 CG GLU A 115 12.246 9.628 -2.677 1.00 0.00 C ATOM 1785 CD GLU A 115 13.100 9.346 -1.425 1.00 0.00 C ATOM 1786 OE1 GLU A 115 14.284 9.763 -1.387 1.00 0.00 O ATOM 1787 OE2 GLU A 115 12.601 8.695 -0.476 1.00 0.00 O ATOM 0 H GLU A 115 9.699 10.704 -2.165 1.00 0.00 H new ATOM 0 HA GLU A 115 12.019 11.803 -0.873 1.00 0.00 H new ATOM 0 HB2 GLU A 115 11.423 11.262 -3.812 1.00 0.00 H new ATOM 0 HB3 GLU A 115 13.005 11.591 -3.131 1.00 0.00 H new ATOM 0 HG2 GLU A 115 11.276 9.143 -2.568 1.00 0.00 H new ATOM 0 HG3 GLU A 115 12.727 9.185 -3.549 1.00 0.00 H new ATOM 1794 N MET A 116 12.162 14.212 -1.719 1.00 0.00 N ATOM 1795 CA MET A 116 12.205 15.654 -2.006 1.00 0.00 C ATOM 1796 C MET A 116 13.587 16.065 -2.536 1.00 0.00 C ATOM 1797 O MET A 116 14.599 15.436 -2.216 1.00 0.00 O ATOM 1798 CB MET A 116 11.859 16.448 -0.736 1.00 0.00 C ATOM 1799 CG MET A 116 10.431 16.190 -0.242 1.00 0.00 C ATOM 1800 SD MET A 116 10.059 17.009 1.328 1.00 0.00 S ATOM 1801 CE MET A 116 8.385 16.385 1.597 1.00 0.00 C ATOM 0 H MET A 116 12.957 13.901 -1.161 1.00 0.00 H new ATOM 0 HA MET A 116 11.469 15.878 -2.778 1.00 0.00 H new ATOM 0 HB2 MET A 116 12.564 16.187 0.053 1.00 0.00 H new ATOM 0 HB3 MET A 116 11.983 17.513 -0.934 1.00 0.00 H new ATOM 0 HG2 MET A 116 9.725 16.532 -0.999 1.00 0.00 H new ATOM 0 HG3 MET A 116 10.282 15.116 -0.128 1.00 0.00 H new ATOM 0 HE1 MET A 116 8.072 16.610 2.616 1.00 0.00 H new ATOM 0 HE2 MET A 116 7.702 16.861 0.894 1.00 0.00 H new ATOM 0 HE3 MET A 116 8.370 15.306 1.443 1.00 0.00 H new ATOM 1811 N LEU A 117 13.640 17.131 -3.341 1.00 0.00 N ATOM 1812 CA LEU A 117 14.858 17.619 -3.997 1.00 0.00 C ATOM 1813 C LEU A 117 15.762 18.424 -3.035 1.00 0.00 C ATOM 1814 O LEU A 117 15.827 19.654 -3.065 1.00 0.00 O ATOM 1815 CB LEU A 117 14.471 18.367 -5.296 1.00 0.00 C ATOM 1816 CG LEU A 117 15.139 17.758 -6.539 1.00 0.00 C ATOM 1817 CD1 LEU A 117 14.604 18.431 -7.804 1.00 0.00 C ATOM 1818 CD2 LEU A 117 16.662 17.910 -6.520 1.00 0.00 C ATOM 0 H LEU A 117 12.817 17.692 -3.560 1.00 0.00 H new ATOM 0 HA LEU A 117 15.482 16.774 -4.287 1.00 0.00 H new ATOM 0 HB2 LEU A 117 13.388 18.342 -5.419 1.00 0.00 H new ATOM 0 HB3 LEU A 117 14.758 19.415 -5.209 1.00 0.00 H new ATOM 0 HG LEU A 117 14.900 16.695 -6.532 1.00 0.00 H new ATOM 0 HD11 LEU A 117 15.083 17.993 -8.680 1.00 0.00 H new ATOM 0 HD12 LEU A 117 13.526 18.282 -7.867 1.00 0.00 H new ATOM 0 HD13 LEU A 117 14.821 19.499 -7.768 1.00 0.00 H new ATOM 0 HD21 LEU A 117 17.084 17.463 -7.420 1.00 0.00 H new ATOM 0 HD22 LEU A 117 16.922 18.968 -6.484 1.00 0.00 H new ATOM 0 HD23 LEU A 117 17.067 17.407 -5.642 1.00 0.00 H new ATOM 1830 N ALA A 118 16.460 17.707 -2.151 1.00 0.00 N ATOM 1831 CA ALA A 118 17.405 18.262 -1.177 1.00 0.00 C ATOM 1832 C ALA A 118 18.726 18.768 -1.806 1.00 0.00 C ATOM 1833 O ALA A 118 19.420 19.599 -1.214 1.00 0.00 O ATOM 1834 CB ALA A 118 17.681 17.183 -0.123 1.00 0.00 C ATOM 0 H ALA A 118 16.381 16.692 -2.091 1.00 0.00 H new ATOM 0 HA ALA A 118 16.950 19.145 -0.729 1.00 0.00 H new ATOM 0 HB1 ALA A 118 18.383 17.568 0.617 1.00 0.00 H new ATOM 0 HB2 ALA A 118 16.748 16.909 0.370 1.00 0.00 H new ATOM 0 HB3 ALA A 118 18.109 16.304 -0.605 1.00 0.00 H new ATOM 1840 N GLU A 119 19.087 18.283 -2.999 1.00 0.00 N ATOM 1841 CA GLU A 119 20.291 18.684 -3.746 1.00 0.00 C ATOM 1842 C GLU A 119 20.225 20.156 -4.193 1.00 0.00 C ATOM 1843 O GLU A 119 19.262 20.600 -4.837 1.00 0.00 O ATOM 1844 CB GLU A 119 20.498 17.720 -4.934 1.00 0.00 C ATOM 1845 CG GLU A 119 21.931 17.692 -5.489 1.00 0.00 C ATOM 1846 CD GLU A 119 22.312 18.971 -6.259 1.00 0.00 C ATOM 1847 OE1 GLU A 119 22.093 19.035 -7.494 1.00 0.00 O ATOM 1848 OE2 GLU A 119 22.840 19.922 -5.633 1.00 0.00 O ATOM 0 H GLU A 119 18.535 17.579 -3.489 1.00 0.00 H new ATOM 0 HA GLU A 119 21.157 18.613 -3.088 1.00 0.00 H new ATOM 0 HB2 GLU A 119 20.223 16.713 -4.620 1.00 0.00 H new ATOM 0 HB3 GLU A 119 19.816 18.001 -5.737 1.00 0.00 H new ATOM 0 HG2 GLU A 119 22.630 17.551 -4.664 1.00 0.00 H new ATOM 0 HG3 GLU A 119 22.040 16.832 -6.150 1.00 0.00 H new TER 1855 GLU A 119 HETATM 1856 ZN ZN A 120 -5.262 -22.659 11.345 1.00 0.00 ZN