USER MOD reduce.3.24.130724 H: found=0, std=0, add=1138, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1135 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 126 SER OG : rot -5:sc= -0.0674 USER MOD Set 1.2: A 128 SER OG : rot 91:sc= -1.05 USER MOD Set 2.1: A 25 HIS : no HD1:sc= -0.115 K(o=0.77,f=-12!) USER MOD Set 2.2: A 120 LYS NZ :NH3+ -149:sc= 0.887 (180deg=0.0655) USER MOD Set 3.1: A 23 GLN : amide:sc= 0.0538 K(o=0.15,f=1.4) USER MOD Set 3.2: A 31 THR OG1 : rot 149:sc= 0.0943 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -178:sc= 0.734 (180deg=0.723) USER MOD Single : A 9 THR OG1 : rot 123:sc= -0.0249 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.351 X(o=-0.35,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0.832 (180deg=0.832) USER MOD Single : A 34 THR OG1 : rot -174:sc= 0.234 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 168:sc= 0.557 (180deg=0.487) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -108:sc= -0.547 (180deg=-3.34!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 67 LYS NZ :NH3+ 149:sc= 0.208 (180deg=-0.013) USER MOD Single : A 72 TYR OH : rot -100:sc= 0.405 USER MOD Single : A 74 GLN : amide:sc= -0.482 X(o=-0.48,f=-0.31) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 160:sc= 0.00825 USER MOD Single : A 87 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 94 LYS NZ :NH3+ -127:sc= 0.803 (180deg=0.244) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -157:sc= 0.572 (180deg=0.00243) USER MOD Single : A 100 LYS NZ :NH3+ -168:sc= -0.0406 (180deg=-0.225) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 164:sc= -0.0732 (180deg=-0.392) USER MOD Single : A 104 TYR OH : rot 30:sc= -0.322 USER MOD Single : A 107 TYR OH : rot 30:sc= -0.495 USER MOD Single : A 108 THR OG1 : rot 180:sc=0.000493 USER MOD Single : A 109 SER OG : rot -65:sc= -1.38! USER MOD Single : A 111 ASN : amide:sc= 0.147 K(o=0.15,f=-1.6!) USER MOD Single : A 116 LYS NZ :NH3+ 146:sc= 0.125 (180deg=0) USER MOD Single : A 117 LYS NZ :NH3+ 157:sc= -0.286 (180deg=-1.24) USER MOD Single : A 118 LYS NZ :NH3+ 173:sc= 0.209 (180deg=0.191) USER MOD Single : A 125 LYS NZ :NH3+ 175:sc= 0.138 (180deg=0.0901) USER MOD Single : A 131 HIS : no HD1:sc= 0.0196 K(o=0.02,f=-2.6!) USER MOD Single : A 132 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 133 HIS : no HD1:sc= 0 X(o=0,f=-0.004) USER MOD Single : A 134 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 135 HIS : no HD1:sc= 0 X(o=0,f=-0.00091) USER MOD Single : A 136 HIS : no HE2:sc= 0.119 K(o=0.12,f=-0.75) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.019 -0.367 15.519 1.00 41.35 N ATOM 2 CA MET A 1 5.560 -0.321 15.276 1.00 51.41 C ATOM 3 C MET A 1 5.176 -1.380 14.233 1.00 4.05 C ATOM 4 O MET A 1 4.508 -2.370 14.557 1.00 15.14 O ATOM 5 CB MET A 1 5.119 1.097 14.803 1.00 2.51 C ATOM 6 CG MET A 1 5.423 2.224 15.790 1.00 15.42 C ATOM 7 SD MET A 1 4.887 3.839 15.191 1.00 64.40 S ATOM 8 CE MET A 1 5.456 4.906 16.515 1.00 54.24 C ATOM 0 H1 MET A 1 7.271 0.328 16.250 1.00 41.35 H new ATOM 0 H2 MET A 1 7.288 -1.319 15.839 1.00 41.35 H new ATOM 0 H3 MET A 1 7.525 -0.142 14.639 1.00 41.35 H new ATOM 0 HA MET A 1 5.043 -0.537 16.211 1.00 51.41 H new ATOM 0 HB2 MET A 1 5.612 1.319 13.857 1.00 2.51 H new ATOM 0 HB3 MET A 1 4.047 1.083 14.608 1.00 2.51 H new ATOM 0 HG2 MET A 1 4.932 2.012 16.740 1.00 15.42 H new ATOM 0 HG3 MET A 1 6.495 2.251 15.985 1.00 15.42 H new ATOM 0 HE1 MET A 1 5.196 5.940 16.286 1.00 54.24 H new ATOM 0 HE2 MET A 1 4.980 4.611 17.450 1.00 54.24 H new ATOM 0 HE3 MET A 1 6.538 4.817 16.614 1.00 54.24 H new ATOM 20 N GLY A 2 5.644 -1.172 12.982 1.00 70.50 N ATOM 21 CA GLY A 2 5.239 -1.992 11.842 1.00 44.44 C ATOM 22 C GLY A 2 3.933 -1.478 11.241 1.00 1.03 C ATOM 23 O GLY A 2 2.922 -1.377 11.944 1.00 71.11 O ATOM 0 H GLY A 2 6.308 -0.434 12.746 1.00 70.50 H new ATOM 0 HA2 GLY A 2 6.022 -1.981 11.084 1.00 44.44 H new ATOM 0 HA3 GLY A 2 5.116 -3.028 12.159 1.00 44.44 H new ATOM 27 N VAL A 3 3.958 -1.095 9.958 1.00 72.42 N ATOM 28 CA VAL A 3 2.790 -0.555 9.223 1.00 2.12 C ATOM 29 C VAL A 3 2.848 -1.103 7.790 1.00 33.51 C ATOM 30 O VAL A 3 3.929 -1.244 7.244 1.00 61.14 O ATOM 31 CB VAL A 3 2.806 1.028 9.198 1.00 22.12 C ATOM 32 CG1 VAL A 3 1.664 1.618 8.331 1.00 43.31 C ATOM 33 CG2 VAL A 3 2.793 1.622 10.635 1.00 25.40 C ATOM 0 H VAL A 3 4.801 -1.150 9.386 1.00 72.42 H new ATOM 0 HA VAL A 3 1.870 -0.861 9.721 1.00 2.12 H new ATOM 0 HB VAL A 3 3.743 1.323 8.725 1.00 22.12 H new ATOM 0 HG11 VAL A 3 1.720 2.706 8.347 1.00 43.31 H new ATOM 0 HG12 VAL A 3 1.767 1.265 7.305 1.00 43.31 H new ATOM 0 HG13 VAL A 3 0.702 1.298 8.730 1.00 43.31 H new ATOM 0 HG21 VAL A 3 2.805 2.710 10.579 1.00 25.40 H new ATOM 0 HG22 VAL A 3 1.893 1.295 11.156 1.00 25.40 H new ATOM 0 HG23 VAL A 3 3.672 1.277 11.179 1.00 25.40 H new ATOM 43 N VAL A 4 1.701 -1.436 7.188 1.00 34.04 N ATOM 44 CA VAL A 4 1.651 -1.952 5.810 1.00 53.24 C ATOM 45 C VAL A 4 0.835 -0.991 4.933 1.00 61.03 C ATOM 46 O VAL A 4 -0.373 -0.856 5.120 1.00 22.30 O ATOM 47 CB VAL A 4 1.027 -3.394 5.781 1.00 71.25 C ATOM 48 CG1 VAL A 4 1.036 -3.993 4.356 1.00 65.20 C ATOM 49 CG2 VAL A 4 1.742 -4.323 6.793 1.00 44.42 C ATOM 0 H VAL A 4 0.787 -1.358 7.635 1.00 34.04 H new ATOM 0 HA VAL A 4 2.666 -2.019 5.417 1.00 53.24 H new ATOM 0 HB VAL A 4 -0.017 -3.310 6.083 1.00 71.25 H new ATOM 0 HG11 VAL A 4 0.597 -4.990 4.378 1.00 65.20 H new ATOM 0 HG12 VAL A 4 0.456 -3.355 3.690 1.00 65.20 H new ATOM 0 HG13 VAL A 4 2.062 -4.057 3.995 1.00 65.20 H new ATOM 0 HG21 VAL A 4 1.293 -5.316 6.755 1.00 44.42 H new ATOM 0 HG22 VAL A 4 2.800 -4.393 6.538 1.00 44.42 H new ATOM 0 HG23 VAL A 4 1.637 -3.915 7.798 1.00 44.42 H new ATOM 59 N ILE A 5 1.524 -0.320 3.991 1.00 33.44 N ATOM 60 CA ILE A 5 0.906 0.606 3.040 1.00 51.03 C ATOM 61 C ILE A 5 0.711 -0.137 1.703 1.00 32.33 C ATOM 62 O ILE A 5 1.677 -0.405 1.005 1.00 22.44 O ATOM 63 CB ILE A 5 1.774 1.920 2.793 1.00 55.22 C ATOM 64 CG1 ILE A 5 2.133 2.675 4.133 1.00 3.22 C ATOM 65 CG2 ILE A 5 1.042 2.872 1.804 1.00 41.14 C ATOM 66 CD1 ILE A 5 3.284 2.073 4.946 1.00 44.44 C ATOM 0 H ILE A 5 2.533 -0.410 3.873 1.00 33.44 H new ATOM 0 HA ILE A 5 -0.044 0.934 3.461 1.00 51.03 H new ATOM 0 HB ILE A 5 2.719 1.601 2.352 1.00 55.22 H new ATOM 0 HG12 ILE A 5 2.385 3.707 3.891 1.00 3.22 H new ATOM 0 HG13 ILE A 5 1.244 2.703 4.762 1.00 3.22 H new ATOM 0 HG21 ILE A 5 1.646 3.765 1.644 1.00 41.14 H new ATOM 0 HG22 ILE A 5 0.890 2.362 0.853 1.00 41.14 H new ATOM 0 HG23 ILE A 5 0.076 3.157 2.221 1.00 41.14 H new ATOM 0 HD11 ILE A 5 3.446 2.669 5.844 1.00 44.44 H new ATOM 0 HD12 ILE A 5 3.034 1.051 5.229 1.00 44.44 H new ATOM 0 HD13 ILE A 5 4.193 2.071 4.344 1.00 44.44 H new ATOM 78 N LEU A 6 -0.542 -0.449 1.359 1.00 11.32 N ATOM 79 CA LEU A 6 -0.889 -1.142 0.112 1.00 11.24 C ATOM 80 C LEU A 6 -1.272 -0.099 -0.934 1.00 61.52 C ATOM 81 O LEU A 6 -2.372 0.441 -0.895 1.00 63.02 O ATOM 82 CB LEU A 6 -2.102 -2.073 0.374 1.00 53.15 C ATOM 83 CG LEU A 6 -1.935 -3.112 1.508 1.00 34.22 C ATOM 84 CD1 LEU A 6 -3.262 -3.818 1.803 1.00 53.21 C ATOM 85 CD2 LEU A 6 -0.835 -4.118 1.178 1.00 60.45 C ATOM 0 H LEU A 6 -1.350 -0.227 1.941 1.00 11.32 H new ATOM 0 HA LEU A 6 -0.043 -1.732 -0.241 1.00 11.24 H new ATOM 0 HB2 LEU A 6 -2.967 -1.451 0.604 1.00 53.15 H new ATOM 0 HB3 LEU A 6 -2.329 -2.607 -0.549 1.00 53.15 H new ATOM 0 HG LEU A 6 -1.633 -2.578 2.409 1.00 34.22 H new ATOM 0 HD11 LEU A 6 -3.118 -4.543 2.604 1.00 53.21 H new ATOM 0 HD12 LEU A 6 -4.005 -3.082 2.109 1.00 53.21 H new ATOM 0 HD13 LEU A 6 -3.608 -4.332 0.906 1.00 53.21 H new ATOM 0 HD21 LEU A 6 -0.741 -4.835 1.993 1.00 60.45 H new ATOM 0 HD22 LEU A 6 -1.088 -4.645 0.258 1.00 60.45 H new ATOM 0 HD23 LEU A 6 0.111 -3.593 1.046 1.00 60.45 H new ATOM 97 N VAL A 7 -0.354 0.185 -1.856 1.00 15.20 N ATOM 98 CA VAL A 7 -0.610 1.104 -2.960 1.00 63.51 C ATOM 99 C VAL A 7 -1.110 0.280 -4.162 1.00 41.40 C ATOM 100 O VAL A 7 -0.331 -0.404 -4.830 1.00 51.04 O ATOM 101 CB VAL A 7 0.682 1.931 -3.336 1.00 54.11 C ATOM 102 CG1 VAL A 7 0.363 3.006 -4.403 1.00 22.25 C ATOM 103 CG2 VAL A 7 1.321 2.564 -2.074 1.00 45.44 C ATOM 0 H VAL A 7 0.584 -0.215 -1.858 1.00 15.20 H new ATOM 0 HA VAL A 7 -1.367 1.830 -2.664 1.00 63.51 H new ATOM 0 HB VAL A 7 1.409 1.243 -3.767 1.00 54.11 H new ATOM 0 HG11 VAL A 7 1.270 3.561 -4.643 1.00 22.25 H new ATOM 0 HG12 VAL A 7 -0.017 2.523 -5.304 1.00 22.25 H new ATOM 0 HG13 VAL A 7 -0.390 3.692 -4.014 1.00 22.25 H new ATOM 0 HG21 VAL A 7 2.209 3.128 -2.360 1.00 45.44 H new ATOM 0 HG22 VAL A 7 0.603 3.233 -1.599 1.00 45.44 H new ATOM 0 HG23 VAL A 7 1.601 1.777 -1.374 1.00 45.44 H new ATOM 113 N LEU A 8 -2.434 0.345 -4.396 1.00 45.44 N ATOM 114 CA LEU A 8 -3.102 -0.334 -5.511 1.00 45.21 C ATOM 115 C LEU A 8 -3.092 0.613 -6.707 1.00 44.12 C ATOM 116 O LEU A 8 -3.853 1.560 -6.739 1.00 32.31 O ATOM 117 CB LEU A 8 -4.575 -0.716 -5.144 1.00 13.54 C ATOM 118 CG LEU A 8 -4.779 -1.909 -4.148 1.00 34.02 C ATOM 119 CD1 LEU A 8 -4.233 -1.612 -2.741 1.00 11.13 C ATOM 120 CD2 LEU A 8 -6.260 -2.327 -4.095 1.00 1.33 C ATOM 0 H LEU A 8 -3.073 0.878 -3.806 1.00 45.44 H new ATOM 0 HA LEU A 8 -2.574 -1.259 -5.743 1.00 45.21 H new ATOM 0 HB2 LEU A 8 -5.056 0.165 -4.719 1.00 13.54 H new ATOM 0 HB3 LEU A 8 -5.103 -0.953 -6.068 1.00 13.54 H new ATOM 0 HG LEU A 8 -4.195 -2.745 -4.532 1.00 34.02 H new ATOM 0 HD11 LEU A 8 -4.403 -2.474 -2.096 1.00 11.13 H new ATOM 0 HD12 LEU A 8 -3.164 -1.408 -2.801 1.00 11.13 H new ATOM 0 HD13 LEU A 8 -4.745 -0.743 -2.328 1.00 11.13 H new ATOM 0 HD21 LEU A 8 -6.379 -3.156 -3.398 1.00 1.33 H new ATOM 0 HD22 LEU A 8 -6.864 -1.483 -3.762 1.00 1.33 H new ATOM 0 HD23 LEU A 8 -6.586 -2.638 -5.088 1.00 1.33 H new ATOM 132 N THR A 9 -2.218 0.347 -7.674 1.00 40.31 N ATOM 133 CA THR A 9 -2.069 1.172 -8.873 1.00 24.23 C ATOM 134 C THR A 9 -2.687 0.442 -10.068 1.00 12.11 C ATOM 135 O THR A 9 -2.514 -0.771 -10.210 1.00 54.44 O ATOM 136 CB THR A 9 -0.556 1.449 -9.161 1.00 13.30 C ATOM 137 OG1 THR A 9 0.148 0.208 -9.346 1.00 55.00 O ATOM 138 CG2 THR A 9 0.128 2.244 -8.034 1.00 11.41 C ATOM 0 H THR A 9 -1.587 -0.454 -7.649 1.00 40.31 H new ATOM 0 HA THR A 9 -2.577 2.123 -8.713 1.00 24.23 H new ATOM 0 HB THR A 9 -0.518 2.052 -10.068 1.00 13.30 H new ATOM 0 HG1 THR A 9 0.579 0.204 -10.226 1.00 55.00 H new ATOM 0 HG21 THR A 9 1.175 2.407 -8.288 1.00 11.41 H new ATOM 0 HG22 THR A 9 -0.370 3.206 -7.913 1.00 11.41 H new ATOM 0 HG23 THR A 9 0.063 1.683 -7.102 1.00 11.41 H new ATOM 146 N GLY A 10 -3.392 1.196 -10.933 1.00 31.30 N ATOM 147 CA GLY A 10 -3.956 0.653 -12.180 1.00 51.52 C ATOM 148 C GLY A 10 -2.903 0.351 -13.258 1.00 1.45 C ATOM 149 O GLY A 10 -3.251 -0.129 -14.345 1.00 40.54 O ATOM 0 H GLY A 10 -3.584 2.187 -10.788 1.00 31.30 H new ATOM 0 HA2 GLY A 10 -4.502 -0.263 -11.952 1.00 51.52 H new ATOM 0 HA3 GLY A 10 -4.679 1.364 -12.581 1.00 51.52 H new ATOM 153 N ASP A 11 -1.622 0.626 -12.941 1.00 52.31 N ATOM 154 CA ASP A 11 -0.478 0.430 -13.840 1.00 74.02 C ATOM 155 C ASP A 11 0.795 0.175 -12.998 1.00 43.35 C ATOM 156 O ASP A 11 1.064 0.897 -12.036 1.00 55.13 O ATOM 157 CB ASP A 11 -0.328 1.683 -14.736 1.00 53.43 C ATOM 158 CG ASP A 11 0.904 1.652 -15.645 1.00 73.13 C ATOM 159 OD1 ASP A 11 0.868 0.972 -16.688 1.00 22.41 O ATOM 160 OD2 ASP A 11 1.919 2.284 -15.306 1.00 22.42 O ATOM 0 H ASP A 11 -1.353 0.999 -12.031 1.00 52.31 H new ATOM 0 HA ASP A 11 -0.634 -0.436 -14.483 1.00 74.02 H new ATOM 0 HB2 ASP A 11 -1.220 1.785 -15.353 1.00 53.43 H new ATOM 0 HB3 ASP A 11 -0.277 2.568 -14.101 1.00 53.43 H new ATOM 165 N GLU A 12 1.579 -0.842 -13.403 1.00 11.32 N ATOM 166 CA GLU A 12 2.747 -1.351 -12.646 1.00 75.11 C ATOM 167 C GLU A 12 3.956 -0.396 -12.734 1.00 72.54 C ATOM 168 O GLU A 12 4.789 -0.361 -11.817 1.00 45.35 O ATOM 169 CB GLU A 12 3.120 -2.748 -13.190 1.00 0.22 C ATOM 170 CG GLU A 12 4.226 -3.501 -12.424 1.00 20.35 C ATOM 171 CD GLU A 12 4.495 -4.892 -13.022 1.00 51.43 C ATOM 172 OE1 GLU A 12 5.092 -4.965 -14.106 1.00 50.50 O ATOM 173 OE2 GLU A 12 4.088 -5.913 -12.436 1.00 5.02 O ATOM 0 H GLU A 12 1.420 -1.343 -14.277 1.00 11.32 H new ATOM 0 HA GLU A 12 2.476 -1.417 -11.592 1.00 75.11 H new ATOM 0 HB2 GLU A 12 2.222 -3.366 -13.192 1.00 0.22 H new ATOM 0 HB3 GLU A 12 3.435 -2.639 -14.228 1.00 0.22 H new ATOM 0 HG2 GLU A 12 5.144 -2.914 -12.443 1.00 20.35 H new ATOM 0 HG3 GLU A 12 3.936 -3.606 -11.378 1.00 20.35 H new ATOM 180 N ARG A 13 4.045 0.375 -13.837 1.00 62.22 N ATOM 181 CA ARG A 13 5.123 1.375 -14.038 1.00 72.12 C ATOM 182 C ARG A 13 4.987 2.488 -12.961 1.00 1.02 C ATOM 183 O ARG A 13 5.994 2.975 -12.426 1.00 62.22 O ATOM 184 CB ARG A 13 5.065 1.964 -15.494 1.00 75.41 C ATOM 185 CG ARG A 13 6.415 2.380 -16.145 1.00 11.22 C ATOM 186 CD ARG A 13 7.163 3.507 -15.403 1.00 65.34 C ATOM 187 NE ARG A 13 6.363 4.740 -15.272 1.00 1.13 N ATOM 188 CZ ARG A 13 6.308 5.741 -16.172 1.00 31.32 C ATOM 189 NH1 ARG A 13 7.001 5.687 -17.308 1.00 75.01 N ATOM 190 NH2 ARG A 13 5.600 6.824 -15.900 1.00 23.11 N ATOM 0 H ARG A 13 3.380 0.326 -14.609 1.00 62.22 H new ATOM 0 HA ARG A 13 6.097 0.898 -13.926 1.00 72.12 H new ATOM 0 HB2 ARG A 13 4.592 1.224 -16.140 1.00 75.41 H new ATOM 0 HB3 ARG A 13 4.413 2.837 -15.480 1.00 75.41 H new ATOM 0 HG2 ARG A 13 7.063 1.505 -16.198 1.00 11.22 H new ATOM 0 HG3 ARG A 13 6.226 2.700 -17.170 1.00 11.22 H new ATOM 0 HD2 ARG A 13 7.445 3.156 -14.410 1.00 65.34 H new ATOM 0 HD3 ARG A 13 8.087 3.734 -15.935 1.00 65.34 H new ATOM 0 HE ARG A 13 5.803 4.843 -14.426 1.00 1.13 H new ATOM 0 HH11 ARG A 13 7.587 4.877 -17.510 1.00 75.01 H new ATOM 0 HH12 ARG A 13 6.945 6.456 -17.976 1.00 75.01 H new ATOM 0 HH21 ARG A 13 5.100 6.897 -15.014 1.00 23.11 H new ATOM 0 HH22 ARG A 13 5.554 7.586 -16.576 1.00 23.11 H new ATOM 204 N ILE A 14 3.717 2.851 -12.647 1.00 10.54 N ATOM 205 CA ILE A 14 3.377 3.778 -11.547 1.00 73.31 C ATOM 206 C ILE A 14 3.831 3.189 -10.192 1.00 1.44 C ATOM 207 O ILE A 14 4.396 3.899 -9.364 1.00 53.03 O ATOM 208 CB ILE A 14 1.832 4.117 -11.496 1.00 2.34 C ATOM 209 CG1 ILE A 14 1.355 4.718 -12.857 1.00 24.52 C ATOM 210 CG2 ILE A 14 1.494 5.073 -10.312 1.00 14.33 C ATOM 211 CD1 ILE A 14 -0.121 5.084 -12.920 1.00 3.13 C ATOM 0 H ILE A 14 2.901 2.506 -13.153 1.00 10.54 H new ATOM 0 HA ILE A 14 3.908 4.710 -11.740 1.00 73.31 H new ATOM 0 HB ILE A 14 1.292 3.186 -11.325 1.00 2.34 H new ATOM 0 HG12 ILE A 14 1.944 5.611 -13.068 1.00 24.52 H new ATOM 0 HG13 ILE A 14 1.569 4.000 -13.648 1.00 24.52 H new ATOM 0 HG21 ILE A 14 0.425 5.284 -10.308 1.00 14.33 H new ATOM 0 HG22 ILE A 14 1.774 4.600 -9.371 1.00 14.33 H new ATOM 0 HG23 ILE A 14 2.047 6.005 -10.428 1.00 14.33 H new ATOM 0 HD11 ILE A 14 -0.353 5.492 -13.904 1.00 3.13 H new ATOM 0 HD12 ILE A 14 -0.725 4.193 -12.745 1.00 3.13 H new ATOM 0 HD13 ILE A 14 -0.344 5.829 -12.156 1.00 3.13 H new ATOM 223 N ALA A 15 3.613 1.874 -10.011 1.00 63.05 N ATOM 224 CA ALA A 15 3.963 1.160 -8.765 1.00 60.12 C ATOM 225 C ALA A 15 5.487 1.204 -8.488 1.00 40.32 C ATOM 226 O ALA A 15 5.915 1.445 -7.352 1.00 43.24 O ATOM 227 CB ALA A 15 3.463 -0.291 -8.833 1.00 13.44 C ATOM 0 H ALA A 15 3.191 1.276 -10.721 1.00 63.05 H new ATOM 0 HA ALA A 15 3.470 1.667 -7.936 1.00 60.12 H new ATOM 0 HB1 ALA A 15 3.725 -0.810 -7.911 1.00 13.44 H new ATOM 0 HB2 ALA A 15 2.380 -0.297 -8.958 1.00 13.44 H new ATOM 0 HB3 ALA A 15 3.928 -0.797 -9.679 1.00 13.44 H new ATOM 233 N GLU A 16 6.294 1.004 -9.550 1.00 31.11 N ATOM 234 CA GLU A 16 7.765 0.956 -9.437 1.00 15.54 C ATOM 235 C GLU A 16 8.378 2.357 -9.227 1.00 64.14 C ATOM 236 O GLU A 16 9.316 2.507 -8.434 1.00 0.31 O ATOM 237 CB GLU A 16 8.406 0.264 -10.667 1.00 70.54 C ATOM 238 CG GLU A 16 9.953 0.371 -10.700 1.00 31.21 C ATOM 239 CD GLU A 16 10.630 -0.616 -11.644 1.00 34.55 C ATOM 240 OE1 GLU A 16 10.840 -0.286 -12.822 1.00 12.33 O ATOM 241 OE2 GLU A 16 10.972 -1.724 -11.201 1.00 42.13 O ATOM 0 H GLU A 16 5.948 0.873 -10.501 1.00 31.11 H new ATOM 0 HA GLU A 16 7.989 0.361 -8.552 1.00 15.54 H new ATOM 0 HB2 GLU A 16 8.122 -0.788 -10.671 1.00 70.54 H new ATOM 0 HB3 GLU A 16 7.999 0.707 -11.576 1.00 70.54 H new ATOM 0 HG2 GLU A 16 10.229 1.384 -10.993 1.00 31.21 H new ATOM 0 HG3 GLU A 16 10.338 0.214 -9.692 1.00 31.21 H new ATOM 248 N GLU A 17 7.861 3.376 -9.931 1.00 33.51 N ATOM 249 CA GLU A 17 8.385 4.757 -9.805 1.00 73.01 C ATOM 250 C GLU A 17 8.071 5.338 -8.404 1.00 55.14 C ATOM 251 O GLU A 17 8.848 6.143 -7.869 1.00 72.35 O ATOM 252 CB GLU A 17 7.864 5.669 -10.940 1.00 50.11 C ATOM 253 CG GLU A 17 6.347 5.921 -10.938 1.00 63.14 C ATOM 254 CD GLU A 17 5.879 6.787 -12.113 1.00 5.12 C ATOM 255 OE1 GLU A 17 6.240 7.977 -12.149 1.00 72.51 O ATOM 256 OE2 GLU A 17 5.150 6.294 -13.002 1.00 74.43 O ATOM 0 H GLU A 17 7.088 3.278 -10.589 1.00 33.51 H new ATOM 0 HA GLU A 17 9.469 4.717 -9.909 1.00 73.01 H new ATOM 0 HB2 GLU A 17 8.375 6.630 -10.875 1.00 50.11 H new ATOM 0 HB3 GLU A 17 8.140 5.225 -11.896 1.00 50.11 H new ATOM 0 HG2 GLU A 17 5.826 4.964 -10.970 1.00 63.14 H new ATOM 0 HG3 GLU A 17 6.067 6.406 -10.003 1.00 63.14 H new ATOM 263 N LEU A 18 6.936 4.894 -7.814 1.00 35.33 N ATOM 264 CA LEU A 18 6.575 5.210 -6.417 1.00 45.04 C ATOM 265 C LEU A 18 7.500 4.473 -5.420 1.00 43.12 C ATOM 266 O LEU A 18 7.724 4.971 -4.323 1.00 11.04 O ATOM 267 CB LEU A 18 5.088 4.867 -6.126 1.00 3.33 C ATOM 268 CG LEU A 18 4.016 5.740 -6.854 1.00 11.14 C ATOM 269 CD1 LEU A 18 2.587 5.238 -6.533 1.00 30.42 C ATOM 270 CD2 LEU A 18 4.187 7.245 -6.523 1.00 53.34 C ATOM 0 H LEU A 18 6.250 4.310 -8.292 1.00 35.33 H new ATOM 0 HA LEU A 18 6.710 6.283 -6.283 1.00 45.04 H new ATOM 0 HB2 LEU A 18 4.919 3.824 -6.396 1.00 3.33 H new ATOM 0 HB3 LEU A 18 4.923 4.949 -5.052 1.00 3.33 H new ATOM 0 HG LEU A 18 4.169 5.634 -7.928 1.00 11.14 H new ATOM 0 HD11 LEU A 18 1.858 5.861 -7.051 1.00 30.42 H new ATOM 0 HD12 LEU A 18 2.482 4.205 -6.864 1.00 30.42 H new ATOM 0 HD13 LEU A 18 2.414 5.294 -5.458 1.00 30.42 H new ATOM 0 HD21 LEU A 18 3.425 7.822 -7.047 1.00 53.34 H new ATOM 0 HD22 LEU A 18 4.082 7.395 -5.449 1.00 53.34 H new ATOM 0 HD23 LEU A 18 5.175 7.577 -6.841 1.00 53.34 H new ATOM 282 N ARG A 19 8.021 3.287 -5.810 1.00 42.44 N ATOM 283 CA ARG A 19 8.995 2.525 -4.985 1.00 54.34 C ATOM 284 C ARG A 19 10.303 3.311 -4.845 1.00 62.21 C ATOM 285 O ARG A 19 10.831 3.468 -3.739 1.00 4.41 O ATOM 286 CB ARG A 19 9.293 1.135 -5.608 1.00 23.43 C ATOM 287 CG ARG A 19 10.182 0.224 -4.729 1.00 41.32 C ATOM 288 CD ARG A 19 10.632 -1.047 -5.460 1.00 13.42 C ATOM 289 NE ARG A 19 11.575 -0.733 -6.548 1.00 64.53 N ATOM 290 CZ ARG A 19 11.502 -1.185 -7.808 1.00 2.10 C ATOM 291 NH1 ARG A 19 10.507 -1.982 -8.192 1.00 71.11 N ATOM 292 NH2 ARG A 19 12.421 -0.823 -8.685 1.00 12.01 N ATOM 0 H ARG A 19 7.784 2.834 -6.693 1.00 42.44 H new ATOM 0 HA ARG A 19 8.551 2.377 -4.001 1.00 54.34 H new ATOM 0 HB2 ARG A 19 8.349 0.626 -5.801 1.00 23.43 H new ATOM 0 HB3 ARG A 19 9.780 1.278 -6.572 1.00 23.43 H new ATOM 0 HG2 ARG A 19 11.060 0.783 -4.406 1.00 41.32 H new ATOM 0 HG3 ARG A 19 9.633 -0.054 -3.830 1.00 41.32 H new ATOM 0 HD2 ARG A 19 11.104 -1.729 -4.752 1.00 13.42 H new ATOM 0 HD3 ARG A 19 9.762 -1.562 -5.867 1.00 13.42 H new ATOM 0 HE ARG A 19 12.355 -0.115 -6.322 1.00 64.53 H new ATOM 0 HH11 ARG A 19 9.787 -2.257 -7.524 1.00 71.11 H new ATOM 0 HH12 ARG A 19 10.465 -2.318 -9.154 1.00 71.11 H new ATOM 0 HH21 ARG A 19 13.180 -0.203 -8.402 1.00 12.01 H new ATOM 0 HH22 ARG A 19 12.372 -1.163 -9.645 1.00 12.01 H new ATOM 306 N LYS A 20 10.791 3.812 -5.998 1.00 23.03 N ATOM 307 CA LYS A 20 11.991 4.666 -6.088 1.00 74.41 C ATOM 308 C LYS A 20 11.811 5.928 -5.236 1.00 72.51 C ATOM 309 O LYS A 20 12.754 6.394 -4.596 1.00 72.11 O ATOM 310 CB LYS A 20 12.256 5.062 -7.566 1.00 74.24 C ATOM 311 CG LYS A 20 12.410 3.862 -8.529 1.00 60.15 C ATOM 312 CD LYS A 20 12.560 4.302 -10.001 1.00 52.31 C ATOM 313 CE LYS A 20 12.712 3.120 -10.964 1.00 44.40 C ATOM 314 NZ LYS A 20 12.896 3.573 -12.367 1.00 65.25 N ATOM 0 H LYS A 20 10.357 3.632 -6.903 1.00 23.03 H new ATOM 0 HA LYS A 20 12.846 4.104 -5.711 1.00 74.41 H new ATOM 0 HB2 LYS A 20 11.436 5.689 -7.914 1.00 74.24 H new ATOM 0 HB3 LYS A 20 13.161 5.667 -7.611 1.00 74.24 H new ATOM 0 HG2 LYS A 20 13.281 3.276 -8.238 1.00 60.15 H new ATOM 0 HG3 LYS A 20 11.541 3.210 -8.434 1.00 60.15 H new ATOM 0 HD2 LYS A 20 11.689 4.890 -10.290 1.00 52.31 H new ATOM 0 HD3 LYS A 20 13.429 4.954 -10.093 1.00 52.31 H new ATOM 0 HE2 LYS A 20 13.566 2.513 -10.663 1.00 44.40 H new ATOM 0 HE3 LYS A 20 11.830 2.483 -10.900 1.00 44.40 H new ATOM 0 HZ1 LYS A 20 12.995 2.745 -12.989 1.00 65.25 H new ATOM 0 HZ2 LYS A 20 12.070 4.131 -12.663 1.00 65.25 H new ATOM 0 HZ3 LYS A 20 13.752 4.160 -12.433 1.00 65.25 H new ATOM 328 N GLU A 21 10.562 6.432 -5.226 1.00 44.12 N ATOM 329 CA GLU A 21 10.166 7.618 -4.458 1.00 4.34 C ATOM 330 C GLU A 21 10.348 7.352 -2.948 1.00 1.51 C ATOM 331 O GLU A 21 11.000 8.145 -2.262 1.00 72.24 O ATOM 332 CB GLU A 21 8.690 8.000 -4.789 1.00 4.22 C ATOM 333 CG GLU A 21 8.335 9.490 -4.636 1.00 40.02 C ATOM 334 CD GLU A 21 8.479 10.055 -3.217 1.00 21.44 C ATOM 335 OE1 GLU A 21 7.594 9.820 -2.372 1.00 63.15 O ATOM 336 OE2 GLU A 21 9.485 10.749 -2.945 1.00 71.41 O ATOM 0 H GLU A 21 9.795 6.020 -5.758 1.00 44.12 H new ATOM 0 HA GLU A 21 10.803 8.458 -4.735 1.00 4.34 H new ATOM 0 HB2 GLU A 21 8.477 7.698 -5.815 1.00 4.22 H new ATOM 0 HB3 GLU A 21 8.031 7.420 -4.143 1.00 4.22 H new ATOM 0 HG2 GLU A 21 8.971 10.069 -5.306 1.00 40.02 H new ATOM 0 HG3 GLU A 21 7.307 9.637 -4.966 1.00 40.02 H new ATOM 343 N VAL A 22 9.784 6.213 -2.463 1.00 50.20 N ATOM 344 CA VAL A 22 9.872 5.794 -1.043 1.00 54.20 C ATOM 345 C VAL A 22 11.337 5.635 -0.610 1.00 1.02 C ATOM 346 O VAL A 22 11.693 6.024 0.489 1.00 35.11 O ATOM 347 CB VAL A 22 9.105 4.440 -0.759 1.00 54.53 C ATOM 348 CG1 VAL A 22 9.231 4.003 0.730 1.00 10.51 C ATOM 349 CG2 VAL A 22 7.622 4.537 -1.165 1.00 32.22 C ATOM 0 H VAL A 22 9.257 5.563 -3.047 1.00 50.20 H new ATOM 0 HA VAL A 22 9.394 6.584 -0.464 1.00 54.20 H new ATOM 0 HB VAL A 22 9.580 3.676 -1.374 1.00 54.53 H new ATOM 0 HG11 VAL A 22 8.690 3.069 0.882 1.00 10.51 H new ATOM 0 HG12 VAL A 22 10.282 3.858 0.979 1.00 10.51 H new ATOM 0 HG13 VAL A 22 8.809 4.775 1.373 1.00 10.51 H new ATOM 0 HG21 VAL A 22 7.125 3.590 -0.956 1.00 32.22 H new ATOM 0 HG22 VAL A 22 7.140 5.332 -0.596 1.00 32.22 H new ATOM 0 HG23 VAL A 22 7.550 4.758 -2.230 1.00 32.22 H new ATOM 359 N GLN A 23 12.172 5.088 -1.509 1.00 42.42 N ATOM 360 CA GLN A 23 13.608 4.859 -1.249 1.00 60.23 C ATOM 361 C GLN A 23 14.383 6.183 -1.085 1.00 73.23 C ATOM 362 O GLN A 23 15.309 6.270 -0.276 1.00 13.44 O ATOM 363 CB GLN A 23 14.234 4.009 -2.384 1.00 33.01 C ATOM 364 CG GLN A 23 13.692 2.567 -2.465 1.00 41.10 C ATOM 365 CD GLN A 23 13.959 1.735 -1.202 1.00 24.31 C ATOM 366 OE1 GLN A 23 14.971 1.903 -0.514 1.00 12.12 O ATOM 367 NE2 GLN A 23 13.059 0.831 -0.887 1.00 14.03 N ATOM 0 H GLN A 23 11.873 4.791 -2.438 1.00 42.42 H new ATOM 0 HA GLN A 23 13.685 4.314 -0.308 1.00 60.23 H new ATOM 0 HB2 GLN A 23 14.055 4.507 -3.337 1.00 33.01 H new ATOM 0 HB3 GLN A 23 15.314 3.972 -2.242 1.00 33.01 H new ATOM 0 HG2 GLN A 23 12.618 2.602 -2.646 1.00 41.10 H new ATOM 0 HG3 GLN A 23 14.143 2.066 -3.321 1.00 41.10 H new ATOM 0 HE21 GLN A 23 12.231 0.711 -1.471 1.00 14.03 H new ATOM 0 HE22 GLN A 23 13.188 0.250 -0.059 1.00 14.03 H new ATOM 376 N LYS A 24 14.001 7.208 -1.863 1.00 4.52 N ATOM 377 CA LYS A 24 14.635 8.544 -1.793 1.00 54.24 C ATOM 378 C LYS A 24 14.094 9.339 -0.591 1.00 45.22 C ATOM 379 O LYS A 24 14.804 10.163 -0.016 1.00 23.11 O ATOM 380 CB LYS A 24 14.406 9.325 -3.106 1.00 64.12 C ATOM 381 CG LYS A 24 14.979 8.644 -4.367 1.00 40.13 C ATOM 382 CD LYS A 24 14.751 9.487 -5.642 1.00 53.13 C ATOM 383 CE LYS A 24 13.261 9.773 -5.924 1.00 72.03 C ATOM 384 NZ LYS A 24 13.092 10.673 -7.095 1.00 62.53 N ATOM 0 H LYS A 24 13.253 7.141 -2.553 1.00 4.52 H new ATOM 0 HA LYS A 24 15.708 8.406 -1.658 1.00 54.24 H new ATOM 0 HB2 LYS A 24 13.335 9.472 -3.244 1.00 64.12 H new ATOM 0 HB3 LYS A 24 14.854 10.314 -3.008 1.00 64.12 H new ATOM 0 HG2 LYS A 24 16.047 8.474 -4.232 1.00 40.13 H new ATOM 0 HG3 LYS A 24 14.514 7.666 -4.492 1.00 40.13 H new ATOM 0 HD2 LYS A 24 15.284 10.433 -5.544 1.00 53.13 H new ATOM 0 HD3 LYS A 24 15.182 8.965 -6.496 1.00 53.13 H new ATOM 0 HE2 LYS A 24 12.737 8.835 -6.106 1.00 72.03 H new ATOM 0 HE3 LYS A 24 12.804 10.228 -5.045 1.00 72.03 H new ATOM 0 HZ1 LYS A 24 12.079 10.845 -7.257 1.00 62.53 H new ATOM 0 HZ2 LYS A 24 13.571 11.577 -6.910 1.00 62.53 H new ATOM 0 HZ3 LYS A 24 13.507 10.227 -7.938 1.00 62.53 H new ATOM 398 N HIS A 25 12.829 9.072 -0.226 1.00 41.32 N ATOM 399 CA HIS A 25 12.149 9.708 0.922 1.00 20.41 C ATOM 400 C HIS A 25 12.716 9.141 2.244 1.00 53.52 C ATOM 401 O HIS A 25 12.970 9.886 3.200 1.00 13.34 O ATOM 402 CB HIS A 25 10.613 9.471 0.796 1.00 13.41 C ATOM 403 CG HIS A 25 9.761 10.053 1.902 1.00 60.32 C ATOM 404 ND1 HIS A 25 9.129 11.270 1.767 1.00 13.40 N ATOM 405 CD2 HIS A 25 9.430 9.525 3.106 1.00 10.32 C ATOM 406 CE1 HIS A 25 8.435 11.444 2.881 1.00 1.32 C ATOM 407 NE2 HIS A 25 8.587 10.413 3.710 1.00 10.44 N ATOM 0 H HIS A 25 12.241 8.402 -0.723 1.00 41.32 H new ATOM 0 HA HIS A 25 12.328 10.783 0.925 1.00 20.41 H new ATOM 0 HB2 HIS A 25 10.277 9.889 -0.153 1.00 13.41 H new ATOM 0 HB3 HIS A 25 10.433 8.397 0.752 1.00 13.41 H new ATOM 0 HD2 HIS A 25 9.768 8.582 3.510 1.00 10.32 H new ATOM 0 HE1 HIS A 25 7.825 12.310 3.090 1.00 1.32 H new ATOM 0 HE2 HIS A 25 8.154 10.306 4.627 1.00 10.44 H new ATOM 415 N ASP A 26 12.963 7.821 2.239 1.00 4.52 N ATOM 416 CA ASP A 26 13.476 7.054 3.381 1.00 33.21 C ATOM 417 C ASP A 26 13.855 5.629 2.882 1.00 33.43 C ATOM 418 O ASP A 26 12.961 4.815 2.612 1.00 23.35 O ATOM 419 CB ASP A 26 12.425 6.979 4.534 1.00 23.11 C ATOM 420 CG ASP A 26 13.001 6.378 5.834 1.00 13.42 C ATOM 421 OD1 ASP A 26 13.260 5.157 5.884 1.00 54.45 O ATOM 422 OD2 ASP A 26 13.199 7.122 6.820 1.00 62.10 O ATOM 0 H ASP A 26 12.806 7.242 1.414 1.00 4.52 H new ATOM 0 HA ASP A 26 14.356 7.552 3.788 1.00 33.21 H new ATOM 0 HB2 ASP A 26 12.046 7.980 4.739 1.00 23.11 H new ATOM 0 HB3 ASP A 26 11.576 6.378 4.207 1.00 23.11 H new ATOM 427 N PRO A 27 15.181 5.284 2.777 1.00 53.02 N ATOM 428 CA PRO A 27 15.638 3.980 2.230 1.00 43.31 C ATOM 429 C PRO A 27 15.674 2.841 3.275 1.00 10.23 C ATOM 430 O PRO A 27 16.211 1.757 3.002 1.00 22.05 O ATOM 431 CB PRO A 27 17.055 4.332 1.723 1.00 22.13 C ATOM 432 CG PRO A 27 17.564 5.356 2.697 1.00 32.12 C ATOM 433 CD PRO A 27 16.342 6.125 3.189 1.00 54.32 C ATOM 0 HA PRO A 27 14.965 3.588 1.468 1.00 43.31 H new ATOM 0 HB2 PRO A 27 17.698 3.452 1.701 1.00 22.13 H new ATOM 0 HB3 PRO A 27 17.025 4.730 0.709 1.00 22.13 H new ATOM 0 HG2 PRO A 27 18.083 4.878 3.528 1.00 32.12 H new ATOM 0 HG3 PRO A 27 18.278 6.026 2.219 1.00 32.12 H new ATOM 0 HD2 PRO A 27 16.369 6.263 4.270 1.00 54.32 H new ATOM 0 HD3 PRO A 27 16.291 7.118 2.742 1.00 54.32 H new ATOM 441 N ASN A 28 15.118 3.094 4.477 1.00 52.14 N ATOM 442 CA ASN A 28 15.082 2.111 5.584 1.00 64.12 C ATOM 443 C ASN A 28 13.692 1.463 5.684 1.00 30.44 C ATOM 444 O ASN A 28 13.540 0.400 6.306 1.00 10.52 O ATOM 445 CB ASN A 28 15.474 2.783 6.928 1.00 62.52 C ATOM 446 CG ASN A 28 16.861 3.451 6.931 1.00 43.54 C ATOM 447 OD1 ASN A 28 17.083 4.437 7.636 1.00 74.11 O ATOM 448 ND2 ASN A 28 17.813 2.921 6.166 1.00 24.45 N ATOM 0 H ASN A 28 14.680 3.985 4.710 1.00 52.14 H new ATOM 0 HA ASN A 28 15.810 1.328 5.372 1.00 64.12 H new ATOM 0 HB2 ASN A 28 14.723 3.533 7.176 1.00 62.52 H new ATOM 0 HB3 ASN A 28 15.446 2.031 7.717 1.00 62.52 H new ATOM 0 HD21 ASN A 28 18.747 3.331 6.156 1.00 24.45 H new ATOM 0 HD22 ASN A 28 17.609 2.105 5.590 1.00 24.45 H new ATOM 455 N VAL A 29 12.683 2.123 5.082 1.00 45.23 N ATOM 456 CA VAL A 29 11.334 1.556 4.921 1.00 63.33 C ATOM 457 C VAL A 29 11.389 0.391 3.905 1.00 34.23 C ATOM 458 O VAL A 29 12.030 0.521 2.850 1.00 64.34 O ATOM 459 CB VAL A 29 10.292 2.649 4.436 1.00 40.13 C ATOM 460 CG1 VAL A 29 8.889 2.040 4.166 1.00 71.04 C ATOM 461 CG2 VAL A 29 10.197 3.810 5.455 1.00 1.43 C ATOM 0 H VAL A 29 12.782 3.062 4.695 1.00 45.23 H new ATOM 0 HA VAL A 29 10.998 1.191 5.892 1.00 63.33 H new ATOM 0 HB VAL A 29 10.660 3.045 3.490 1.00 40.13 H new ATOM 0 HG11 VAL A 29 8.209 2.825 3.836 1.00 71.04 H new ATOM 0 HG12 VAL A 29 8.966 1.278 3.391 1.00 71.04 H new ATOM 0 HG13 VAL A 29 8.506 1.589 5.081 1.00 71.04 H new ATOM 0 HG21 VAL A 29 9.476 4.547 5.101 1.00 1.43 H new ATOM 0 HG22 VAL A 29 9.873 3.421 6.420 1.00 1.43 H new ATOM 0 HG23 VAL A 29 11.174 4.281 5.563 1.00 1.43 H new ATOM 471 N LYS A 30 10.737 -0.737 4.249 1.00 20.31 N ATOM 472 CA LYS A 30 10.612 -1.908 3.362 1.00 0.45 C ATOM 473 C LYS A 30 9.709 -1.565 2.171 1.00 72.21 C ATOM 474 O LYS A 30 8.795 -0.768 2.303 1.00 24.25 O ATOM 475 CB LYS A 30 10.047 -3.126 4.152 1.00 3.31 C ATOM 476 CG LYS A 30 11.042 -3.752 5.151 1.00 65.12 C ATOM 477 CD LYS A 30 12.208 -4.463 4.437 1.00 53.13 C ATOM 478 CE LYS A 30 11.742 -5.682 3.625 1.00 23.21 C ATOM 479 NZ LYS A 30 12.876 -6.331 2.930 1.00 2.31 N ATOM 0 H LYS A 30 10.281 -0.861 5.153 1.00 20.31 H new ATOM 0 HA LYS A 30 11.598 -2.177 2.984 1.00 0.45 H new ATOM 0 HB2 LYS A 30 9.156 -2.810 4.694 1.00 3.31 H new ATOM 0 HB3 LYS A 30 9.734 -3.891 3.442 1.00 3.31 H new ATOM 0 HG2 LYS A 30 11.437 -2.974 5.804 1.00 65.12 H new ATOM 0 HG3 LYS A 30 10.517 -4.465 5.786 1.00 65.12 H new ATOM 0 HD2 LYS A 30 12.708 -3.758 3.774 1.00 53.13 H new ATOM 0 HD3 LYS A 30 12.943 -4.782 5.176 1.00 53.13 H new ATOM 0 HE2 LYS A 30 11.260 -6.400 4.288 1.00 23.21 H new ATOM 0 HE3 LYS A 30 10.995 -5.371 2.895 1.00 23.21 H new ATOM 0 HZ1 LYS A 30 12.530 -7.150 2.391 1.00 2.31 H new ATOM 0 HZ2 LYS A 30 13.320 -5.651 2.280 1.00 2.31 H new ATOM 0 HZ3 LYS A 30 13.576 -6.649 3.630 1.00 2.31 H new ATOM 493 N THR A 31 10.015 -2.136 1.005 1.00 21.22 N ATOM 494 CA THR A 31 9.196 -1.989 -0.221 1.00 14.34 C ATOM 495 C THR A 31 9.189 -3.326 -0.962 1.00 74.15 C ATOM 496 O THR A 31 10.235 -3.984 -1.057 1.00 54.41 O ATOM 497 CB THR A 31 9.726 -0.867 -1.184 1.00 31.54 C ATOM 498 OG1 THR A 31 11.106 -1.104 -1.504 1.00 0.11 O ATOM 499 CG2 THR A 31 9.575 0.546 -0.592 1.00 51.21 C ATOM 0 H THR A 31 10.841 -2.719 0.874 1.00 21.22 H new ATOM 0 HA THR A 31 8.192 -1.695 0.086 1.00 14.34 H new ATOM 0 HB THR A 31 9.115 -0.912 -2.085 1.00 31.54 H new ATOM 0 HG1 THR A 31 11.295 -0.770 -2.406 1.00 0.11 H new ATOM 0 HG21 THR A 31 9.958 1.280 -1.301 1.00 51.21 H new ATOM 0 HG22 THR A 31 8.522 0.747 -0.394 1.00 51.21 H new ATOM 0 HG23 THR A 31 10.138 0.613 0.339 1.00 51.21 H new ATOM 507 N VAL A 32 8.003 -3.747 -1.444 1.00 23.33 N ATOM 508 CA VAL A 32 7.831 -5.013 -2.179 1.00 3.51 C ATOM 509 C VAL A 32 6.897 -4.758 -3.378 1.00 0.25 C ATOM 510 O VAL A 32 5.804 -4.218 -3.181 1.00 24.31 O ATOM 511 CB VAL A 32 7.211 -6.151 -1.273 1.00 45.20 C ATOM 512 CG1 VAL A 32 7.242 -7.516 -1.994 1.00 11.25 C ATOM 513 CG2 VAL A 32 7.922 -6.242 0.089 1.00 20.22 C ATOM 0 H VAL A 32 7.138 -3.218 -1.334 1.00 23.33 H new ATOM 0 HA VAL A 32 8.814 -5.353 -2.506 1.00 3.51 H new ATOM 0 HB VAL A 32 6.170 -5.885 -1.088 1.00 45.20 H new ATOM 0 HG11 VAL A 32 6.809 -8.279 -1.347 1.00 11.25 H new ATOM 0 HG12 VAL A 32 6.665 -7.453 -2.917 1.00 11.25 H new ATOM 0 HG13 VAL A 32 8.273 -7.781 -2.228 1.00 11.25 H new ATOM 0 HG21 VAL A 32 7.469 -7.035 0.684 1.00 20.22 H new ATOM 0 HG22 VAL A 32 8.978 -6.463 -0.066 1.00 20.22 H new ATOM 0 HG23 VAL A 32 7.824 -5.292 0.615 1.00 20.22 H new ATOM 523 N PRO A 33 7.309 -5.115 -4.639 1.00 21.35 N ATOM 524 CA PRO A 33 6.445 -4.948 -5.828 1.00 11.33 C ATOM 525 C PRO A 33 5.334 -6.027 -5.935 1.00 75.11 C ATOM 526 O PRO A 33 5.201 -6.913 -5.079 1.00 10.31 O ATOM 527 CB PRO A 33 7.453 -5.017 -7.002 1.00 32.32 C ATOM 528 CG PRO A 33 8.556 -5.905 -6.505 1.00 41.44 C ATOM 529 CD PRO A 33 8.644 -5.670 -5.009 1.00 23.51 C ATOM 0 HA PRO A 33 5.878 -4.017 -5.803 1.00 11.33 H new ATOM 0 HB2 PRO A 33 6.989 -5.427 -7.899 1.00 32.32 H new ATOM 0 HB3 PRO A 33 7.828 -4.027 -7.261 1.00 32.32 H new ATOM 0 HG2 PRO A 33 8.342 -6.951 -6.723 1.00 41.44 H new ATOM 0 HG3 PRO A 33 9.500 -5.664 -6.993 1.00 41.44 H new ATOM 0 HD2 PRO A 33 8.851 -6.596 -4.473 1.00 23.51 H new ATOM 0 HD3 PRO A 33 9.446 -4.973 -4.763 1.00 23.51 H new ATOM 537 N THR A 34 4.581 -5.931 -7.037 1.00 53.02 N ATOM 538 CA THR A 34 3.325 -6.672 -7.276 1.00 73.45 C ATOM 539 C THR A 34 3.526 -8.197 -7.380 1.00 3.22 C ATOM 540 O THR A 34 2.768 -8.988 -6.805 1.00 22.43 O ATOM 541 CB THR A 34 2.694 -6.141 -8.603 1.00 41.15 C ATOM 542 OG1 THR A 34 3.616 -6.386 -9.679 1.00 30.51 O ATOM 543 CG2 THR A 34 2.392 -4.629 -8.541 1.00 75.42 C ATOM 0 H THR A 34 4.831 -5.319 -7.814 1.00 53.02 H new ATOM 0 HA THR A 34 2.671 -6.504 -6.420 1.00 73.45 H new ATOM 0 HB THR A 34 1.750 -6.663 -8.760 1.00 41.15 H new ATOM 0 HG1 THR A 34 3.279 -5.969 -10.500 1.00 30.51 H new ATOM 0 HG21 THR A 34 1.955 -4.306 -9.486 1.00 75.42 H new ATOM 0 HG22 THR A 34 1.691 -4.431 -7.730 1.00 75.42 H new ATOM 0 HG23 THR A 34 3.317 -4.080 -8.363 1.00 75.42 H new ATOM 551 N LYS A 35 4.578 -8.580 -8.113 1.00 52.20 N ATOM 552 CA LYS A 35 4.859 -9.981 -8.492 1.00 40.44 C ATOM 553 C LYS A 35 5.557 -10.775 -7.377 1.00 22.44 C ATOM 554 O LYS A 35 5.933 -11.936 -7.574 1.00 53.52 O ATOM 555 CB LYS A 35 5.701 -9.977 -9.791 1.00 54.14 C ATOM 556 CG LYS A 35 7.029 -9.181 -9.693 1.00 75.00 C ATOM 557 CD LYS A 35 7.694 -8.969 -11.070 1.00 10.44 C ATOM 558 CE LYS A 35 6.823 -8.119 -12.011 1.00 43.04 C ATOM 559 NZ LYS A 35 7.393 -8.031 -13.375 1.00 61.03 N ATOM 0 H LYS A 35 5.271 -7.921 -8.467 1.00 52.20 H new ATOM 0 HA LYS A 35 3.910 -10.490 -8.660 1.00 40.44 H new ATOM 0 HB2 LYS A 35 5.929 -11.007 -10.065 1.00 54.14 H new ATOM 0 HB3 LYS A 35 5.100 -9.558 -10.598 1.00 54.14 H new ATOM 0 HG2 LYS A 35 6.835 -8.212 -9.234 1.00 75.00 H new ATOM 0 HG3 LYS A 35 7.719 -9.712 -9.037 1.00 75.00 H new ATOM 0 HD2 LYS A 35 8.660 -8.483 -10.934 1.00 10.44 H new ATOM 0 HD3 LYS A 35 7.886 -9.937 -11.532 1.00 10.44 H new ATOM 0 HE2 LYS A 35 5.823 -8.549 -12.064 1.00 43.04 H new ATOM 0 HE3 LYS A 35 6.717 -7.116 -11.598 1.00 43.04 H new ATOM 0 HZ1 LYS A 35 6.773 -7.449 -13.974 1.00 61.03 H new ATOM 0 HZ2 LYS A 35 8.337 -7.597 -13.329 1.00 61.03 H new ATOM 0 HZ3 LYS A 35 7.470 -8.985 -13.781 1.00 61.03 H new ATOM 573 N ASP A 36 5.724 -10.149 -6.208 1.00 10.42 N ATOM 574 CA ASP A 36 6.282 -10.792 -5.011 1.00 35.25 C ATOM 575 C ASP A 36 5.199 -10.893 -3.932 1.00 32.24 C ATOM 576 O ASP A 36 5.512 -10.847 -2.751 1.00 51.00 O ATOM 577 CB ASP A 36 7.519 -9.991 -4.508 1.00 51.34 C ATOM 578 CG ASP A 36 8.697 -10.025 -5.492 1.00 52.42 C ATOM 579 OD1 ASP A 36 8.684 -9.270 -6.483 1.00 13.35 O ATOM 580 OD2 ASP A 36 9.636 -10.822 -5.291 1.00 63.10 O ATOM 0 H ASP A 36 5.473 -9.171 -6.063 1.00 10.42 H new ATOM 0 HA ASP A 36 6.615 -11.801 -5.253 1.00 35.25 H new ATOM 0 HB2 ASP A 36 7.228 -8.955 -4.334 1.00 51.34 H new ATOM 0 HB3 ASP A 36 7.842 -10.396 -3.549 1.00 51.34 H new ATOM 585 N LYS A 37 3.932 -11.105 -4.375 1.00 30.43 N ATOM 586 CA LYS A 37 2.726 -11.117 -3.502 1.00 2.14 C ATOM 587 C LYS A 37 2.863 -12.101 -2.320 1.00 50.31 C ATOM 588 O LYS A 37 2.531 -11.760 -1.176 1.00 53.22 O ATOM 589 CB LYS A 37 1.449 -11.431 -4.359 1.00 4.41 C ATOM 590 CG LYS A 37 0.079 -11.328 -3.605 1.00 33.34 C ATOM 591 CD LYS A 37 -0.328 -12.619 -2.832 1.00 60.14 C ATOM 592 CE LYS A 37 -1.488 -12.401 -1.845 1.00 31.43 C ATOM 593 NZ LYS A 37 -1.841 -13.644 -1.113 1.00 14.50 N ATOM 0 H LYS A 37 3.716 -11.274 -5.357 1.00 30.43 H new ATOM 0 HA LYS A 37 2.624 -10.125 -3.063 1.00 2.14 H new ATOM 0 HB2 LYS A 37 1.427 -10.748 -5.208 1.00 4.41 H new ATOM 0 HB3 LYS A 37 1.545 -12.439 -4.763 1.00 4.41 H new ATOM 0 HG2 LYS A 37 0.127 -10.497 -2.901 1.00 33.34 H new ATOM 0 HG3 LYS A 37 -0.702 -11.089 -4.327 1.00 33.34 H new ATOM 0 HD2 LYS A 37 -0.611 -13.389 -3.550 1.00 60.14 H new ATOM 0 HD3 LYS A 37 0.538 -12.995 -2.286 1.00 60.14 H new ATOM 0 HE2 LYS A 37 -1.214 -11.625 -1.130 1.00 31.43 H new ATOM 0 HE3 LYS A 37 -2.362 -12.040 -2.387 1.00 31.43 H new ATOM 0 HZ1 LYS A 37 -2.627 -13.451 -0.460 1.00 14.50 H new ATOM 0 HZ2 LYS A 37 -2.128 -14.377 -1.792 1.00 14.50 H new ATOM 0 HZ3 LYS A 37 -1.016 -13.976 -0.574 1.00 14.50 H new ATOM 607 N GLU A 38 3.324 -13.324 -2.617 1.00 13.50 N ATOM 608 CA GLU A 38 3.497 -14.391 -1.608 1.00 50.41 C ATOM 609 C GLU A 38 4.614 -14.025 -0.607 1.00 50.24 C ATOM 610 O GLU A 38 4.535 -14.351 0.587 1.00 60.54 O ATOM 611 CB GLU A 38 3.823 -15.729 -2.307 1.00 12.11 C ATOM 612 CG GLU A 38 2.783 -16.178 -3.358 1.00 44.04 C ATOM 613 CD GLU A 38 3.168 -17.509 -4.021 1.00 20.44 C ATOM 614 OE1 GLU A 38 3.933 -17.494 -5.006 1.00 52.31 O ATOM 615 OE2 GLU A 38 2.739 -18.581 -3.534 1.00 13.32 O ATOM 0 H GLU A 38 3.589 -13.606 -3.561 1.00 13.50 H new ATOM 0 HA GLU A 38 2.565 -14.496 -1.053 1.00 50.41 H new ATOM 0 HB2 GLU A 38 4.795 -15.643 -2.792 1.00 12.11 H new ATOM 0 HB3 GLU A 38 3.913 -16.507 -1.549 1.00 12.11 H new ATOM 0 HG2 GLU A 38 1.808 -16.280 -2.882 1.00 44.04 H new ATOM 0 HG3 GLU A 38 2.685 -15.408 -4.123 1.00 44.04 H new ATOM 622 N LYS A 39 5.641 -13.324 -1.128 1.00 31.41 N ATOM 623 CA LYS A 39 6.788 -12.842 -0.345 1.00 53.45 C ATOM 624 C LYS A 39 6.419 -11.604 0.494 1.00 62.15 C ATOM 625 O LYS A 39 7.076 -11.349 1.490 1.00 70.10 O ATOM 626 CB LYS A 39 7.974 -12.513 -1.282 1.00 32.14 C ATOM 627 CG LYS A 39 8.594 -13.738 -1.999 1.00 24.33 C ATOM 628 CD LYS A 39 9.670 -13.320 -3.033 1.00 34.51 C ATOM 629 CE LYS A 39 10.816 -12.484 -2.421 1.00 53.23 C ATOM 630 NZ LYS A 39 11.727 -11.952 -3.469 1.00 31.42 N ATOM 0 H LYS A 39 5.694 -13.076 -2.116 1.00 31.41 H new ATOM 0 HA LYS A 39 7.080 -13.637 0.341 1.00 53.45 H new ATOM 0 HB2 LYS A 39 7.637 -11.801 -2.035 1.00 32.14 H new ATOM 0 HB3 LYS A 39 8.752 -12.018 -0.701 1.00 32.14 H new ATOM 0 HG2 LYS A 39 9.040 -14.404 -1.260 1.00 24.33 H new ATOM 0 HG3 LYS A 39 7.807 -14.301 -2.501 1.00 24.33 H new ATOM 0 HD2 LYS A 39 10.089 -14.215 -3.493 1.00 34.51 H new ATOM 0 HD3 LYS A 39 9.195 -12.745 -3.828 1.00 34.51 H new ATOM 0 HE2 LYS A 39 10.397 -11.657 -1.848 1.00 53.23 H new ATOM 0 HE3 LYS A 39 11.384 -13.100 -1.723 1.00 53.23 H new ATOM 0 HZ1 LYS A 39 12.357 -11.238 -3.051 1.00 31.42 H new ATOM 0 HZ2 LYS A 39 12.296 -12.729 -3.861 1.00 31.42 H new ATOM 0 HZ3 LYS A 39 11.166 -11.517 -4.229 1.00 31.42 H new ATOM 644 N VAL A 40 5.369 -10.850 0.079 1.00 23.35 N ATOM 645 CA VAL A 40 4.868 -9.677 0.835 1.00 41.22 C ATOM 646 C VAL A 40 4.540 -10.079 2.285 1.00 32.24 C ATOM 647 O VAL A 40 4.923 -9.383 3.221 1.00 31.43 O ATOM 648 CB VAL A 40 3.585 -9.042 0.168 1.00 31.22 C ATOM 649 CG1 VAL A 40 2.955 -7.966 1.071 1.00 53.32 C ATOM 650 CG2 VAL A 40 3.897 -8.455 -1.230 1.00 21.22 C ATOM 0 H VAL A 40 4.852 -11.037 -0.780 1.00 23.35 H new ATOM 0 HA VAL A 40 5.660 -8.928 0.824 1.00 41.22 H new ATOM 0 HB VAL A 40 2.863 -9.849 0.042 1.00 31.22 H new ATOM 0 HG11 VAL A 40 2.075 -7.550 0.581 1.00 53.32 H new ATOM 0 HG12 VAL A 40 2.664 -8.413 2.022 1.00 53.32 H new ATOM 0 HG13 VAL A 40 3.680 -7.172 1.250 1.00 53.32 H new ATOM 0 HG21 VAL A 40 2.989 -8.028 -1.656 1.00 21.22 H new ATOM 0 HG22 VAL A 40 4.655 -7.678 -1.137 1.00 21.22 H new ATOM 0 HG23 VAL A 40 4.266 -9.246 -1.883 1.00 21.22 H new ATOM 660 N LYS A 41 3.881 -11.248 2.428 1.00 43.12 N ATOM 661 CA LYS A 41 3.501 -11.838 3.721 1.00 2.43 C ATOM 662 C LYS A 41 4.736 -11.992 4.643 1.00 51.13 C ATOM 663 O LYS A 41 4.680 -11.660 5.835 1.00 50.33 O ATOM 664 CB LYS A 41 2.824 -13.213 3.464 1.00 23.23 C ATOM 665 CG LYS A 41 2.305 -13.922 4.723 1.00 34.42 C ATOM 666 CD LYS A 41 1.673 -15.300 4.422 1.00 31.11 C ATOM 667 CE LYS A 41 1.121 -15.975 5.685 1.00 60.20 C ATOM 668 NZ LYS A 41 0.642 -17.351 5.415 1.00 1.44 N ATOM 0 H LYS A 41 3.595 -11.816 1.631 1.00 43.12 H new ATOM 0 HA LYS A 41 2.799 -11.177 4.230 1.00 2.43 H new ATOM 0 HB2 LYS A 41 1.991 -13.069 2.776 1.00 23.23 H new ATOM 0 HB3 LYS A 41 3.540 -13.867 2.965 1.00 23.23 H new ATOM 0 HG2 LYS A 41 3.128 -14.051 5.426 1.00 34.42 H new ATOM 0 HG3 LYS A 41 1.565 -13.288 5.212 1.00 34.42 H new ATOM 0 HD2 LYS A 41 0.869 -15.178 3.697 1.00 31.11 H new ATOM 0 HD3 LYS A 41 2.420 -15.948 3.963 1.00 31.11 H new ATOM 0 HE2 LYS A 41 1.898 -16.005 6.449 1.00 60.20 H new ATOM 0 HE3 LYS A 41 0.302 -15.378 6.086 1.00 60.20 H new ATOM 0 HZ1 LYS A 41 0.278 -17.770 6.294 1.00 1.44 H new ATOM 0 HZ2 LYS A 41 -0.117 -17.321 4.705 1.00 1.44 H new ATOM 0 HZ3 LYS A 41 1.429 -17.928 5.056 1.00 1.44 H new ATOM 682 N GLU A 42 5.856 -12.444 4.037 1.00 20.02 N ATOM 683 CA GLU A 42 7.158 -12.583 4.717 1.00 63.52 C ATOM 684 C GLU A 42 7.659 -11.220 5.209 1.00 15.55 C ATOM 685 O GLU A 42 7.963 -11.041 6.392 1.00 44.22 O ATOM 686 CB GLU A 42 8.218 -13.201 3.753 1.00 51.23 C ATOM 687 CG GLU A 42 7.872 -14.600 3.224 1.00 45.33 C ATOM 688 CD GLU A 42 7.784 -15.641 4.345 1.00 41.12 C ATOM 689 OE1 GLU A 42 8.832 -15.954 4.955 1.00 73.12 O ATOM 690 OE2 GLU A 42 6.677 -16.129 4.646 1.00 1.15 O ATOM 0 H GLU A 42 5.880 -12.724 3.056 1.00 20.02 H new ATOM 0 HA GLU A 42 7.019 -13.245 5.572 1.00 63.52 H new ATOM 0 HB2 GLU A 42 8.351 -12.530 2.904 1.00 51.23 H new ATOM 0 HB3 GLU A 42 9.175 -13.251 4.273 1.00 51.23 H new ATOM 0 HG2 GLU A 42 6.921 -14.560 2.693 1.00 45.33 H new ATOM 0 HG3 GLU A 42 8.627 -14.910 2.502 1.00 45.33 H new ATOM 697 N GLU A 43 7.681 -10.264 4.274 1.00 13.20 N ATOM 698 CA GLU A 43 8.284 -8.941 4.465 1.00 42.42 C ATOM 699 C GLU A 43 7.486 -8.066 5.452 1.00 5.22 C ATOM 700 O GLU A 43 8.061 -7.165 6.054 1.00 73.11 O ATOM 701 CB GLU A 43 8.406 -8.238 3.093 1.00 61.42 C ATOM 702 CG GLU A 43 9.119 -9.054 1.994 1.00 61.40 C ATOM 703 CD GLU A 43 10.625 -9.243 2.223 1.00 1.04 C ATOM 704 OE1 GLU A 43 11.021 -10.138 2.999 1.00 71.22 O ATOM 705 OE2 GLU A 43 11.421 -8.488 1.623 1.00 42.24 O ATOM 0 H GLU A 43 7.273 -10.390 3.348 1.00 13.20 H new ATOM 0 HA GLU A 43 9.272 -9.080 4.904 1.00 42.42 H new ATOM 0 HB2 GLU A 43 7.405 -7.985 2.743 1.00 61.42 H new ATOM 0 HB3 GLU A 43 8.942 -7.299 3.231 1.00 61.42 H new ATOM 0 HG2 GLU A 43 8.648 -10.035 1.923 1.00 61.40 H new ATOM 0 HG3 GLU A 43 8.969 -8.558 1.035 1.00 61.40 H new ATOM 712 N ILE A 44 6.160 -8.332 5.579 1.00 54.21 N ATOM 713 CA ILE A 44 5.280 -7.677 6.576 1.00 5.01 C ATOM 714 C ILE A 44 5.747 -8.035 7.992 1.00 4.33 C ATOM 715 O ILE A 44 5.922 -7.153 8.841 1.00 51.01 O ATOM 716 CB ILE A 44 3.757 -8.096 6.402 1.00 40.11 C ATOM 717 CG1 ILE A 44 3.159 -7.493 5.090 1.00 30.12 C ATOM 718 CG2 ILE A 44 2.892 -7.709 7.644 1.00 74.13 C ATOM 719 CD1 ILE A 44 1.713 -7.873 4.819 1.00 61.13 C ATOM 0 H ILE A 44 5.673 -9.008 4.991 1.00 54.21 H new ATOM 0 HA ILE A 44 5.349 -6.601 6.414 1.00 5.01 H new ATOM 0 HB ILE A 44 3.730 -9.183 6.323 1.00 40.11 H new ATOM 0 HG12 ILE A 44 3.232 -6.407 5.139 1.00 30.12 H new ATOM 0 HG13 ILE A 44 3.770 -7.816 4.247 1.00 30.12 H new ATOM 0 HG21 ILE A 44 1.859 -8.016 7.478 1.00 74.13 H new ATOM 0 HG22 ILE A 44 3.282 -8.211 8.529 1.00 74.13 H new ATOM 0 HG23 ILE A 44 2.931 -6.630 7.792 1.00 74.13 H new ATOM 0 HD11 ILE A 44 1.383 -7.410 3.889 1.00 61.13 H new ATOM 0 HD12 ILE A 44 1.631 -8.957 4.733 1.00 61.13 H new ATOM 0 HD13 ILE A 44 1.086 -7.526 5.640 1.00 61.13 H new ATOM 731 N GLU A 45 5.942 -9.347 8.222 1.00 13.32 N ATOM 732 CA GLU A 45 6.383 -9.878 9.515 1.00 24.32 C ATOM 733 C GLU A 45 7.805 -9.396 9.854 1.00 21.23 C ATOM 734 O GLU A 45 8.076 -9.012 10.991 1.00 70.01 O ATOM 735 CB GLU A 45 6.320 -11.420 9.509 1.00 5.30 C ATOM 736 CG GLU A 45 6.730 -12.056 10.847 1.00 22.35 C ATOM 737 CD GLU A 45 6.578 -13.573 10.848 1.00 32.40 C ATOM 738 OE1 GLU A 45 5.462 -14.063 11.100 1.00 4.32 O ATOM 739 OE2 GLU A 45 7.571 -14.280 10.581 1.00 25.23 O ATOM 0 H GLU A 45 5.797 -10.065 7.512 1.00 13.32 H new ATOM 0 HA GLU A 45 5.709 -9.503 10.286 1.00 24.32 H new ATOM 0 HB2 GLU A 45 5.305 -11.733 9.263 1.00 5.30 H new ATOM 0 HB3 GLU A 45 6.971 -11.799 8.721 1.00 5.30 H new ATOM 0 HG2 GLU A 45 7.767 -11.799 11.064 1.00 22.35 H new ATOM 0 HG3 GLU A 45 6.122 -11.633 11.647 1.00 22.35 H new ATOM 746 N LYS A 46 8.680 -9.391 8.836 1.00 74.02 N ATOM 747 CA LYS A 46 10.090 -8.974 8.966 1.00 22.35 C ATOM 748 C LYS A 46 10.206 -7.455 9.221 1.00 4.12 C ATOM 749 O LYS A 46 11.106 -7.013 9.941 1.00 51.30 O ATOM 750 CB LYS A 46 10.872 -9.390 7.691 1.00 54.25 C ATOM 751 CG LYS A 46 11.015 -10.925 7.523 1.00 40.24 C ATOM 752 CD LYS A 46 11.617 -11.340 6.161 1.00 42.15 C ATOM 753 CE LYS A 46 11.838 -12.861 6.049 1.00 62.20 C ATOM 754 NZ LYS A 46 10.593 -13.646 6.278 1.00 12.13 N ATOM 0 H LYS A 46 8.429 -9.678 7.890 1.00 74.02 H new ATOM 0 HA LYS A 46 10.527 -9.476 9.829 1.00 22.35 H new ATOM 0 HB2 LYS A 46 10.366 -8.983 6.816 1.00 54.25 H new ATOM 0 HB3 LYS A 46 11.865 -8.942 7.722 1.00 54.25 H new ATOM 0 HG2 LYS A 46 11.644 -11.314 8.324 1.00 40.24 H new ATOM 0 HG3 LYS A 46 10.035 -11.388 7.635 1.00 40.24 H new ATOM 0 HD2 LYS A 46 10.954 -11.013 5.360 1.00 42.15 H new ATOM 0 HD3 LYS A 46 12.568 -10.827 6.017 1.00 42.15 H new ATOM 0 HE2 LYS A 46 12.232 -13.094 5.060 1.00 62.20 H new ATOM 0 HE3 LYS A 46 12.593 -13.168 6.773 1.00 62.20 H new ATOM 0 HZ1 LYS A 46 10.649 -14.125 7.199 1.00 12.13 H new ATOM 0 HZ2 LYS A 46 9.773 -13.006 6.270 1.00 12.13 H new ATOM 0 HZ3 LYS A 46 10.486 -14.355 5.525 1.00 12.13 H new ATOM 768 N ALA A 47 9.269 -6.676 8.646 1.00 63.15 N ATOM 769 CA ALA A 47 9.197 -5.214 8.846 1.00 70.53 C ATOM 770 C ALA A 47 8.712 -4.901 10.272 1.00 3.32 C ATOM 771 O ALA A 47 9.292 -4.058 10.963 1.00 53.35 O ATOM 772 CB ALA A 47 8.267 -4.571 7.805 1.00 74.42 C ATOM 0 H ALA A 47 8.542 -7.041 8.031 1.00 63.15 H new ATOM 0 HA ALA A 47 10.194 -4.793 8.715 1.00 70.53 H new ATOM 0 HB1 ALA A 47 8.227 -3.494 7.969 1.00 74.42 H new ATOM 0 HB2 ALA A 47 8.648 -4.772 6.804 1.00 74.42 H new ATOM 0 HB3 ALA A 47 7.266 -4.990 7.903 1.00 74.42 H new ATOM 778 N ARG A 48 7.649 -5.625 10.696 1.00 15.34 N ATOM 779 CA ARG A 48 7.082 -5.563 12.056 1.00 0.33 C ATOM 780 C ARG A 48 8.135 -5.939 13.112 1.00 61.32 C ATOM 781 O ARG A 48 8.215 -5.326 14.172 1.00 2.10 O ATOM 782 CB ARG A 48 5.860 -6.523 12.157 1.00 41.00 C ATOM 783 CG ARG A 48 5.282 -6.692 13.578 1.00 14.34 C ATOM 784 CD ARG A 48 4.056 -7.613 13.618 1.00 11.13 C ATOM 785 NE ARG A 48 4.337 -8.984 13.149 1.00 24.32 N ATOM 786 CZ ARG A 48 4.605 -10.038 13.935 1.00 32.43 C ATOM 787 NH1 ARG A 48 4.655 -9.920 15.258 1.00 63.33 N ATOM 788 NH2 ARG A 48 4.760 -11.224 13.382 1.00 64.44 N ATOM 0 H ARG A 48 7.156 -6.279 10.088 1.00 15.34 H new ATOM 0 HA ARG A 48 6.760 -4.540 12.249 1.00 0.33 H new ATOM 0 HB2 ARG A 48 5.071 -6.154 11.501 1.00 41.00 H new ATOM 0 HB3 ARG A 48 6.154 -7.503 11.781 1.00 41.00 H new ATOM 0 HG2 ARG A 48 6.054 -7.095 14.233 1.00 14.34 H new ATOM 0 HG3 ARG A 48 5.008 -5.713 13.972 1.00 14.34 H new ATOM 0 HD2 ARG A 48 3.677 -7.657 14.639 1.00 11.13 H new ATOM 0 HD3 ARG A 48 3.266 -7.181 13.003 1.00 11.13 H new ATOM 0 HE ARG A 48 4.327 -9.144 12.142 1.00 24.32 H new ATOM 0 HH11 ARG A 48 4.488 -9.014 15.696 1.00 63.33 H new ATOM 0 HH12 ARG A 48 4.861 -10.735 15.835 1.00 63.33 H new ATOM 0 HH21 ARG A 48 4.676 -11.330 12.371 1.00 64.44 H new ATOM 0 HH22 ARG A 48 4.964 -12.036 13.965 1.00 64.44 H new ATOM 802 N LYS A 49 8.952 -6.942 12.771 1.00 34.11 N ATOM 803 CA LYS A 49 9.983 -7.496 13.663 1.00 63.54 C ATOM 804 C LYS A 49 11.076 -6.431 13.930 1.00 44.23 C ATOM 805 O LYS A 49 11.581 -6.316 15.046 1.00 34.54 O ATOM 806 CB LYS A 49 10.558 -8.803 13.013 1.00 63.32 C ATOM 807 CG LYS A 49 11.163 -9.850 13.987 1.00 32.41 C ATOM 808 CD LYS A 49 12.533 -9.447 14.570 1.00 53.42 C ATOM 809 CE LYS A 49 13.066 -10.472 15.579 1.00 63.30 C ATOM 810 NZ LYS A 49 14.356 -10.034 16.161 1.00 32.03 N ATOM 0 H LYS A 49 8.918 -7.398 11.859 1.00 34.11 H new ATOM 0 HA LYS A 49 9.559 -7.760 14.632 1.00 63.54 H new ATOM 0 HB2 LYS A 49 9.759 -9.284 12.448 1.00 63.32 H new ATOM 0 HB3 LYS A 49 11.328 -8.518 12.296 1.00 63.32 H new ATOM 0 HG2 LYS A 49 10.465 -10.014 14.808 1.00 32.41 H new ATOM 0 HG3 LYS A 49 11.268 -10.800 13.463 1.00 32.41 H new ATOM 0 HD2 LYS A 49 13.251 -9.334 13.758 1.00 53.42 H new ATOM 0 HD3 LYS A 49 12.446 -8.475 15.056 1.00 53.42 H new ATOM 0 HE2 LYS A 49 12.335 -10.615 16.375 1.00 63.30 H new ATOM 0 HE3 LYS A 49 13.195 -11.436 15.087 1.00 63.30 H new ATOM 0 HZ1 LYS A 49 14.691 -10.748 16.839 1.00 32.03 H new ATOM 0 HZ2 LYS A 49 15.058 -9.921 15.402 1.00 32.03 H new ATOM 0 HZ3 LYS A 49 14.225 -9.126 16.650 1.00 32.03 H new ATOM 824 N GLN A 50 11.407 -5.641 12.893 1.00 14.20 N ATOM 825 CA GLN A 50 12.465 -4.602 12.966 1.00 74.12 C ATOM 826 C GLN A 50 11.898 -3.211 13.333 1.00 50.41 C ATOM 827 O GLN A 50 12.670 -2.278 13.598 1.00 71.31 O ATOM 828 CB GLN A 50 13.226 -4.560 11.621 1.00 35.44 C ATOM 829 CG GLN A 50 13.884 -5.908 11.250 1.00 21.03 C ATOM 830 CD GLN A 50 14.547 -5.915 9.875 1.00 65.33 C ATOM 831 OE1 GLN A 50 15.045 -4.893 9.402 1.00 12.11 O ATOM 832 NE2 GLN A 50 14.551 -7.065 9.218 1.00 51.21 N ATOM 0 H GLN A 50 10.954 -5.700 11.981 1.00 14.20 H new ATOM 0 HA GLN A 50 13.155 -4.869 13.767 1.00 74.12 H new ATOM 0 HB2 GLN A 50 12.535 -4.271 10.829 1.00 35.44 H new ATOM 0 HB3 GLN A 50 13.995 -3.789 11.670 1.00 35.44 H new ATOM 0 HG2 GLN A 50 14.631 -6.156 12.004 1.00 21.03 H new ATOM 0 HG3 GLN A 50 13.127 -6.692 11.281 1.00 21.03 H new ATOM 0 HE21 GLN A 50 14.130 -7.894 9.638 1.00 51.21 H new ATOM 0 HE22 GLN A 50 14.975 -7.122 8.292 1.00 51.21 H new ATOM 841 N GLY A 51 10.555 -3.077 13.320 1.00 15.31 N ATOM 842 CA GLY A 51 9.870 -1.873 13.814 1.00 3.14 C ATOM 843 C GLY A 51 9.361 -0.941 12.720 1.00 1.12 C ATOM 844 O GLY A 51 8.384 -0.207 12.935 1.00 75.44 O ATOM 0 H GLY A 51 9.923 -3.797 12.969 1.00 15.31 H new ATOM 0 HA2 GLY A 51 9.027 -2.179 14.434 1.00 3.14 H new ATOM 0 HA3 GLY A 51 10.554 -1.319 14.456 1.00 3.14 H new ATOM 848 N ARG A 52 10.022 -0.946 11.551 1.00 14.12 N ATOM 849 CA ARG A 52 9.708 -0.011 10.443 1.00 55.25 C ATOM 850 C ARG A 52 8.640 -0.584 9.485 1.00 62.55 C ATOM 851 O ARG A 52 8.438 -1.794 9.447 1.00 62.25 O ATOM 852 CB ARG A 52 11.017 0.394 9.693 1.00 41.23 C ATOM 853 CG ARG A 52 11.799 1.497 10.430 1.00 20.45 C ATOM 854 CD ARG A 52 12.972 2.069 9.624 1.00 71.44 C ATOM 855 NE ARG A 52 13.576 3.216 10.324 1.00 72.23 N ATOM 856 CZ ARG A 52 13.662 4.469 9.847 1.00 33.41 C ATOM 857 NH1 ARG A 52 13.183 4.774 8.648 1.00 34.42 N ATOM 858 NH2 ARG A 52 14.203 5.415 10.591 1.00 24.23 N ATOM 0 H ARG A 52 10.784 -1.591 11.342 1.00 14.12 H new ATOM 0 HA ARG A 52 9.272 0.891 10.873 1.00 55.25 H new ATOM 0 HB2 ARG A 52 11.653 -0.484 9.578 1.00 41.23 H new ATOM 0 HB3 ARG A 52 10.766 0.739 8.690 1.00 41.23 H new ATOM 0 HG2 ARG A 52 11.115 2.307 10.683 1.00 20.45 H new ATOM 0 HG3 ARG A 52 12.178 1.095 11.370 1.00 20.45 H new ATOM 0 HD2 ARG A 52 13.724 1.295 9.468 1.00 71.44 H new ATOM 0 HD3 ARG A 52 12.625 2.380 8.639 1.00 71.44 H new ATOM 0 HE ARG A 52 13.963 3.044 11.252 1.00 72.23 H new ATOM 0 HH11 ARG A 52 12.743 4.053 8.076 1.00 34.42 H new ATOM 0 HH12 ARG A 52 13.255 5.729 8.298 1.00 34.42 H new ATOM 0 HH21 ARG A 52 14.553 5.193 11.523 1.00 24.23 H new ATOM 0 HH22 ARG A 52 14.271 6.368 10.234 1.00 24.23 H new ATOM 872 N PRO A 53 7.912 0.299 8.715 1.00 24.50 N ATOM 873 CA PRO A 53 6.828 -0.144 7.809 1.00 5.23 C ATOM 874 C PRO A 53 7.314 -0.810 6.503 1.00 12.44 C ATOM 875 O PRO A 53 8.514 -0.968 6.254 1.00 34.31 O ATOM 876 CB PRO A 53 6.073 1.173 7.514 1.00 41.51 C ATOM 877 CG PRO A 53 7.118 2.223 7.578 1.00 14.34 C ATOM 878 CD PRO A 53 8.048 1.795 8.691 1.00 70.13 C ATOM 0 HA PRO A 53 6.222 -0.924 8.269 1.00 5.23 H new ATOM 0 HB2 PRO A 53 5.597 1.146 6.534 1.00 41.51 H new ATOM 0 HB3 PRO A 53 5.286 1.352 8.246 1.00 41.51 H new ATOM 0 HG2 PRO A 53 7.651 2.306 6.631 1.00 14.34 H new ATOM 0 HG3 PRO A 53 6.681 3.200 7.785 1.00 14.34 H new ATOM 0 HD2 PRO A 53 9.076 2.100 8.494 1.00 70.13 H new ATOM 0 HD3 PRO A 53 7.761 2.238 9.645 1.00 70.13 H new ATOM 886 N ILE A 54 6.323 -1.162 5.676 1.00 42.22 N ATOM 887 CA ILE A 54 6.496 -1.807 4.379 1.00 33.12 C ATOM 888 C ILE A 54 5.465 -1.214 3.402 1.00 42.12 C ATOM 889 O ILE A 54 4.267 -1.229 3.674 1.00 44.13 O ATOM 890 CB ILE A 54 6.328 -3.380 4.492 1.00 35.22 C ATOM 891 CG1 ILE A 54 6.306 -4.050 3.078 1.00 52.43 C ATOM 892 CG2 ILE A 54 5.088 -3.767 5.331 1.00 52.14 C ATOM 893 CD1 ILE A 54 6.019 -5.537 3.088 1.00 65.21 C ATOM 0 H ILE A 54 5.343 -0.997 5.905 1.00 42.22 H new ATOM 0 HA ILE A 54 7.505 -1.621 4.012 1.00 33.12 H new ATOM 0 HB ILE A 54 7.199 -3.765 5.022 1.00 35.22 H new ATOM 0 HG12 ILE A 54 5.553 -3.552 2.467 1.00 52.43 H new ATOM 0 HG13 ILE A 54 7.269 -3.883 2.596 1.00 52.43 H new ATOM 0 HG21 ILE A 54 5.009 -4.853 5.384 1.00 52.14 H new ATOM 0 HG22 ILE A 54 5.189 -3.361 6.338 1.00 52.14 H new ATOM 0 HG23 ILE A 54 4.191 -3.360 4.864 1.00 52.14 H new ATOM 0 HD11 ILE A 54 6.023 -5.915 2.066 1.00 65.21 H new ATOM 0 HD12 ILE A 54 6.785 -6.051 3.669 1.00 65.21 H new ATOM 0 HD13 ILE A 54 5.042 -5.716 3.537 1.00 65.21 H new ATOM 905 N VAL A 55 5.943 -0.660 2.284 1.00 23.53 N ATOM 906 CA VAL A 55 5.091 -0.168 1.207 1.00 41.11 C ATOM 907 C VAL A 55 4.995 -1.272 0.141 1.00 63.31 C ATOM 908 O VAL A 55 5.957 -1.555 -0.581 1.00 53.33 O ATOM 909 CB VAL A 55 5.639 1.163 0.579 1.00 42.11 C ATOM 910 CG1 VAL A 55 4.672 1.702 -0.498 1.00 44.33 C ATOM 911 CG2 VAL A 55 5.913 2.220 1.678 1.00 72.20 C ATOM 0 H VAL A 55 6.940 -0.541 2.103 1.00 23.53 H new ATOM 0 HA VAL A 55 4.105 0.067 1.609 1.00 41.11 H new ATOM 0 HB VAL A 55 6.588 0.945 0.089 1.00 42.11 H new ATOM 0 HG11 VAL A 55 5.073 2.624 -0.918 1.00 44.33 H new ATOM 0 HG12 VAL A 55 4.560 0.961 -1.290 1.00 44.33 H new ATOM 0 HG13 VAL A 55 3.700 1.901 -0.047 1.00 44.33 H new ATOM 0 HG21 VAL A 55 6.292 3.133 1.218 1.00 72.20 H new ATOM 0 HG22 VAL A 55 4.988 2.439 2.211 1.00 72.20 H new ATOM 0 HG23 VAL A 55 6.653 1.833 2.379 1.00 72.20 H new ATOM 921 N VAL A 56 3.834 -1.910 0.109 1.00 24.21 N ATOM 922 CA VAL A 56 3.481 -2.968 -0.835 1.00 0.20 C ATOM 923 C VAL A 56 2.853 -2.340 -2.076 1.00 41.12 C ATOM 924 O VAL A 56 2.097 -1.377 -1.967 1.00 32.53 O ATOM 925 CB VAL A 56 2.456 -3.959 -0.185 1.00 44.31 C ATOM 926 CG1 VAL A 56 2.109 -5.138 -1.130 1.00 31.32 C ATOM 927 CG2 VAL A 56 2.969 -4.449 1.189 1.00 3.14 C ATOM 0 H VAL A 56 3.081 -1.699 0.764 1.00 24.21 H new ATOM 0 HA VAL A 56 4.382 -3.518 -1.106 1.00 0.20 H new ATOM 0 HB VAL A 56 1.526 -3.416 -0.019 1.00 44.31 H new ATOM 0 HG11 VAL A 56 1.396 -5.800 -0.639 1.00 31.32 H new ATOM 0 HG12 VAL A 56 1.671 -4.750 -2.050 1.00 31.32 H new ATOM 0 HG13 VAL A 56 3.016 -5.694 -1.367 1.00 31.32 H new ATOM 0 HG21 VAL A 56 2.243 -5.136 1.624 1.00 3.14 H new ATOM 0 HG22 VAL A 56 3.922 -4.962 1.060 1.00 3.14 H new ATOM 0 HG23 VAL A 56 3.104 -3.595 1.853 1.00 3.14 H new ATOM 937 N PHE A 57 3.185 -2.873 -3.248 1.00 22.44 N ATOM 938 CA PHE A 57 2.617 -2.434 -4.521 1.00 71.21 C ATOM 939 C PHE A 57 1.740 -3.551 -5.072 1.00 3.12 C ATOM 940 O PHE A 57 2.140 -4.714 -5.093 1.00 71.43 O ATOM 941 CB PHE A 57 3.754 -2.030 -5.477 1.00 64.21 C ATOM 942 CG PHE A 57 4.551 -0.855 -4.910 1.00 14.33 C ATOM 943 CD1 PHE A 57 4.004 0.435 -4.912 1.00 12.42 C ATOM 944 CD2 PHE A 57 5.800 -1.038 -4.314 1.00 23.22 C ATOM 945 CE1 PHE A 57 4.686 1.493 -4.352 1.00 53.31 C ATOM 946 CE2 PHE A 57 6.480 0.025 -3.759 1.00 74.03 C ATOM 947 CZ PHE A 57 5.920 1.292 -3.777 1.00 34.11 C ATOM 0 H PHE A 57 3.863 -3.629 -3.343 1.00 22.44 H new ATOM 0 HA PHE A 57 1.987 -1.553 -4.394 1.00 71.21 H new ATOM 0 HB2 PHE A 57 4.417 -2.880 -5.640 1.00 64.21 H new ATOM 0 HB3 PHE A 57 3.339 -1.759 -6.448 1.00 64.21 H new ATOM 0 HD1 PHE A 57 3.035 0.602 -5.358 1.00 12.42 H new ATOM 0 HD2 PHE A 57 6.239 -2.024 -4.287 1.00 23.22 H new ATOM 0 HE1 PHE A 57 4.252 2.482 -4.364 1.00 53.31 H new ATOM 0 HE2 PHE A 57 7.450 -0.130 -3.310 1.00 74.03 H new ATOM 0 HZ PHE A 57 6.453 2.123 -3.339 1.00 34.11 H new ATOM 957 N VAL A 58 0.524 -3.176 -5.454 1.00 71.33 N ATOM 958 CA VAL A 58 -0.531 -4.079 -5.913 1.00 54.00 C ATOM 959 C VAL A 58 -1.067 -3.525 -7.240 1.00 42.22 C ATOM 960 O VAL A 58 -1.422 -2.359 -7.305 1.00 11.11 O ATOM 961 CB VAL A 58 -1.689 -4.138 -4.838 1.00 73.54 C ATOM 962 CG1 VAL A 58 -2.894 -4.936 -5.357 1.00 22.44 C ATOM 963 CG2 VAL A 58 -1.187 -4.707 -3.479 1.00 51.31 C ATOM 0 H VAL A 58 0.233 -2.198 -5.453 1.00 71.33 H new ATOM 0 HA VAL A 58 -0.144 -5.089 -6.051 1.00 54.00 H new ATOM 0 HB VAL A 58 -2.016 -3.113 -4.663 1.00 73.54 H new ATOM 0 HG11 VAL A 58 -3.672 -4.957 -4.594 1.00 22.44 H new ATOM 0 HG12 VAL A 58 -3.283 -4.463 -6.259 1.00 22.44 H new ATOM 0 HG13 VAL A 58 -2.584 -5.955 -5.587 1.00 22.44 H new ATOM 0 HG21 VAL A 58 -2.012 -4.731 -2.768 1.00 51.31 H new ATOM 0 HG22 VAL A 58 -0.805 -5.717 -3.626 1.00 51.31 H new ATOM 0 HG23 VAL A 58 -0.391 -4.072 -3.090 1.00 51.31 H new ATOM 973 N ARG A 59 -1.125 -4.348 -8.300 1.00 31.14 N ATOM 974 CA ARG A 59 -1.503 -3.866 -9.644 1.00 1.10 C ATOM 975 C ARG A 59 -3.005 -4.099 -9.907 1.00 32.42 C ATOM 976 O ARG A 59 -3.387 -5.163 -10.383 1.00 14.00 O ATOM 977 CB ARG A 59 -0.629 -4.551 -10.728 1.00 24.31 C ATOM 978 CG ARG A 59 -0.848 -4.014 -12.158 1.00 73.45 C ATOM 979 CD ARG A 59 0.006 -4.749 -13.201 1.00 21.11 C ATOM 980 NE ARG A 59 -0.159 -4.162 -14.542 1.00 42.21 N ATOM 981 CZ ARG A 59 0.717 -4.267 -15.554 1.00 20.41 C ATOM 982 NH1 ARG A 59 1.854 -4.945 -15.403 1.00 13.43 N ATOM 983 NH2 ARG A 59 0.449 -3.680 -16.716 1.00 13.32 N ATOM 0 H ARG A 59 -0.917 -5.346 -8.256 1.00 31.14 H new ATOM 0 HA ARG A 59 -1.322 -2.792 -9.692 1.00 1.10 H new ATOM 0 HB2 ARG A 59 0.421 -4.426 -10.463 1.00 24.31 H new ATOM 0 HB3 ARG A 59 -0.834 -5.621 -10.720 1.00 24.31 H new ATOM 0 HG2 ARG A 59 -1.901 -4.112 -12.422 1.00 73.45 H new ATOM 0 HG3 ARG A 59 -0.610 -2.950 -12.183 1.00 73.45 H new ATOM 0 HD2 ARG A 59 1.056 -4.706 -12.910 1.00 21.11 H new ATOM 0 HD3 ARG A 59 -0.274 -5.802 -13.226 1.00 21.11 H new ATOM 0 HE ARG A 59 -1.012 -3.630 -14.717 1.00 42.21 H new ATOM 0 HH11 ARG A 59 2.067 -5.391 -14.511 1.00 13.43 H new ATOM 0 HH12 ARG A 59 2.511 -5.018 -16.179 1.00 13.43 H new ATOM 0 HH21 ARG A 59 -0.417 -3.154 -16.834 1.00 13.32 H new ATOM 0 HH22 ARG A 59 1.109 -3.755 -17.490 1.00 13.32 H new ATOM 997 N GLY A 60 -3.830 -3.110 -9.493 1.00 34.00 N ATOM 998 CA GLY A 60 -5.258 -3.002 -9.861 1.00 32.21 C ATOM 999 C GLY A 60 -6.108 -4.243 -9.579 1.00 52.51 C ATOM 1000 O GLY A 60 -6.715 -4.350 -8.513 1.00 20.35 O ATOM 0 H GLY A 60 -3.516 -2.354 -8.885 1.00 34.00 H new ATOM 0 HA2 GLY A 60 -5.690 -2.158 -9.324 1.00 32.21 H new ATOM 0 HA3 GLY A 60 -5.325 -2.772 -10.924 1.00 32.21 H new ATOM 1004 N GLY A 61 -6.110 -5.191 -10.554 1.00 62.45 N ATOM 1005 CA GLY A 61 -6.867 -6.453 -10.462 1.00 54.02 C ATOM 1006 C GLY A 61 -6.381 -7.399 -9.358 1.00 31.43 C ATOM 1007 O GLY A 61 -7.054 -8.385 -9.052 1.00 74.44 O ATOM 0 H GLY A 61 -5.584 -5.095 -11.423 1.00 62.45 H new ATOM 0 HA2 GLY A 61 -7.918 -6.221 -10.290 1.00 54.02 H new ATOM 0 HA3 GLY A 61 -6.808 -6.970 -11.420 1.00 54.02 H new ATOM 1011 N ASP A 62 -5.214 -7.094 -8.759 1.00 12.24 N ATOM 1012 CA ASP A 62 -4.684 -7.816 -7.582 1.00 3.35 C ATOM 1013 C ASP A 62 -5.329 -7.313 -6.268 1.00 10.23 C ATOM 1014 O ASP A 62 -4.854 -7.663 -5.189 1.00 70.21 O ATOM 1015 CB ASP A 62 -3.130 -7.673 -7.511 1.00 22.13 C ATOM 1016 CG ASP A 62 -2.378 -8.407 -8.623 1.00 40.35 C ATOM 1017 OD1 ASP A 62 -2.432 -7.951 -9.782 1.00 5.42 O ATOM 1018 OD2 ASP A 62 -1.748 -9.447 -8.353 1.00 51.22 O ATOM 0 H ASP A 62 -4.609 -6.337 -9.078 1.00 12.24 H new ATOM 0 HA ASP A 62 -4.940 -8.869 -7.697 1.00 3.35 H new ATOM 0 HB2 ASP A 62 -2.872 -6.615 -7.552 1.00 22.13 H new ATOM 0 HB3 ASP A 62 -2.786 -8.048 -6.547 1.00 22.13 H new ATOM 1023 N ASP A 63 -6.404 -6.487 -6.377 1.00 53.41 N ATOM 1024 CA ASP A 63 -7.233 -6.016 -5.232 1.00 11.21 C ATOM 1025 C ASP A 63 -7.774 -7.202 -4.409 1.00 3.43 C ATOM 1026 O ASP A 63 -7.892 -7.126 -3.174 1.00 11.25 O ATOM 1027 CB ASP A 63 -8.411 -5.143 -5.768 1.00 30.33 C ATOM 1028 CG ASP A 63 -9.434 -4.725 -4.687 1.00 21.02 C ATOM 1029 OD1 ASP A 63 -9.231 -3.688 -4.024 1.00 44.34 O ATOM 1030 OD2 ASP A 63 -10.450 -5.431 -4.500 1.00 24.23 O ATOM 0 H ASP A 63 -6.724 -6.124 -7.275 1.00 53.41 H new ATOM 0 HA ASP A 63 -6.606 -5.416 -4.573 1.00 11.21 H new ATOM 0 HB2 ASP A 63 -8.001 -4.245 -6.231 1.00 30.33 H new ATOM 0 HB3 ASP A 63 -8.931 -5.696 -6.550 1.00 30.33 H new ATOM 1035 N GLU A 64 -8.094 -8.293 -5.124 1.00 5.43 N ATOM 1036 CA GLU A 64 -8.557 -9.556 -4.545 1.00 12.02 C ATOM 1037 C GLU A 64 -7.477 -10.190 -3.637 1.00 53.23 C ATOM 1038 O GLU A 64 -7.792 -10.834 -2.648 1.00 72.40 O ATOM 1039 CB GLU A 64 -8.955 -10.535 -5.687 1.00 2.14 C ATOM 1040 CG GLU A 64 -9.579 -11.882 -5.226 1.00 40.50 C ATOM 1041 CD GLU A 64 -11.006 -11.802 -4.640 1.00 14.43 C ATOM 1042 OE1 GLU A 64 -11.578 -10.696 -4.490 1.00 71.40 O ATOM 1043 OE2 GLU A 64 -11.567 -12.865 -4.306 1.00 40.13 O ATOM 0 H GLU A 64 -8.035 -8.318 -6.142 1.00 5.43 H new ATOM 0 HA GLU A 64 -9.428 -9.353 -3.922 1.00 12.02 H new ATOM 0 HB2 GLU A 64 -9.665 -10.031 -6.343 1.00 2.14 H new ATOM 0 HB3 GLU A 64 -8.068 -10.750 -6.283 1.00 2.14 H new ATOM 0 HG2 GLU A 64 -9.595 -12.562 -6.077 1.00 40.50 H new ATOM 0 HG3 GLU A 64 -8.924 -12.325 -4.476 1.00 40.50 H new ATOM 1050 N ARG A 65 -6.209 -10.031 -4.026 1.00 2.44 N ATOM 1051 CA ARG A 65 -5.041 -10.469 -3.232 1.00 13.30 C ATOM 1052 C ARG A 65 -4.691 -9.450 -2.128 1.00 72.23 C ATOM 1053 O ARG A 65 -4.217 -9.830 -1.054 1.00 30.24 O ATOM 1054 CB ARG A 65 -3.851 -10.700 -4.189 1.00 53.13 C ATOM 1055 CG ARG A 65 -4.101 -11.832 -5.211 1.00 54.13 C ATOM 1056 CD ARG A 65 -2.977 -11.986 -6.242 1.00 32.11 C ATOM 1057 NE ARG A 65 -3.266 -13.074 -7.196 1.00 64.51 N ATOM 1058 CZ ARG A 65 -2.790 -13.154 -8.446 1.00 12.11 C ATOM 1059 NH1 ARG A 65 -1.986 -12.215 -8.928 1.00 31.55 N ATOM 1060 NH2 ARG A 65 -3.120 -14.187 -9.210 1.00 45.44 N ATOM 0 H ARG A 65 -5.954 -9.590 -4.910 1.00 2.44 H new ATOM 0 HA ARG A 65 -5.281 -11.402 -2.722 1.00 13.30 H new ATOM 0 HB2 ARG A 65 -3.640 -9.775 -4.726 1.00 53.13 H new ATOM 0 HB3 ARG A 65 -2.963 -10.938 -3.603 1.00 53.13 H new ATOM 0 HG2 ARG A 65 -4.223 -12.773 -4.675 1.00 54.13 H new ATOM 0 HG3 ARG A 65 -5.038 -11.638 -5.733 1.00 54.13 H new ATOM 0 HD2 ARG A 65 -2.848 -11.049 -6.784 1.00 32.11 H new ATOM 0 HD3 ARG A 65 -2.037 -12.190 -5.730 1.00 32.11 H new ATOM 0 HE ARG A 65 -3.878 -13.826 -6.878 1.00 64.51 H new ATOM 0 HH11 ARG A 65 -1.723 -11.420 -8.345 1.00 31.55 H new ATOM 0 HH12 ARG A 65 -1.631 -12.288 -9.881 1.00 31.55 H new ATOM 0 HH21 ARG A 65 -3.733 -14.916 -8.845 1.00 45.44 H new ATOM 0 HH22 ARG A 65 -2.760 -14.253 -10.162 1.00 45.44 H new ATOM 1074 N ALA A 66 -4.950 -8.154 -2.411 1.00 54.12 N ATOM 1075 CA ALA A 66 -4.593 -7.029 -1.524 1.00 20.31 C ATOM 1076 C ALA A 66 -5.409 -7.049 -0.232 1.00 30.34 C ATOM 1077 O ALA A 66 -4.902 -6.655 0.814 1.00 32.33 O ATOM 1078 CB ALA A 66 -4.785 -5.684 -2.242 1.00 32.15 C ATOM 0 H ALA A 66 -5.416 -7.859 -3.269 1.00 54.12 H new ATOM 0 HA ALA A 66 -3.541 -7.146 -1.264 1.00 20.31 H new ATOM 0 HB1 ALA A 66 -4.516 -4.870 -1.569 1.00 32.15 H new ATOM 0 HB2 ALA A 66 -4.148 -5.649 -3.126 1.00 32.15 H new ATOM 0 HB3 ALA A 66 -5.828 -5.577 -2.542 1.00 32.15 H new ATOM 1084 N LYS A 67 -6.675 -7.510 -0.326 1.00 22.21 N ATOM 1085 CA LYS A 67 -7.580 -7.633 0.840 1.00 42.35 C ATOM 1086 C LYS A 67 -7.045 -8.691 1.841 1.00 23.13 C ATOM 1087 O LYS A 67 -7.223 -8.552 3.055 1.00 0.21 O ATOM 1088 CB LYS A 67 -9.022 -8.015 0.378 1.00 51.21 C ATOM 1089 CG LYS A 67 -9.146 -9.457 -0.164 1.00 33.24 C ATOM 1090 CD LYS A 67 -10.549 -9.828 -0.677 1.00 32.24 C ATOM 1091 CE LYS A 67 -10.645 -11.310 -1.071 1.00 30.44 C ATOM 1092 NZ LYS A 67 -11.968 -11.630 -1.649 1.00 40.54 N ATOM 0 H LYS A 67 -7.097 -7.806 -1.206 1.00 22.21 H new ATOM 0 HA LYS A 67 -7.617 -6.666 1.342 1.00 42.35 H new ATOM 0 HB2 LYS A 67 -9.706 -7.893 1.218 1.00 51.21 H new ATOM 0 HB3 LYS A 67 -9.341 -7.318 -0.397 1.00 51.21 H new ATOM 0 HG2 LYS A 67 -8.430 -9.590 -0.975 1.00 33.24 H new ATOM 0 HG3 LYS A 67 -8.866 -10.154 0.626 1.00 33.24 H new ATOM 0 HD2 LYS A 67 -11.287 -9.610 0.095 1.00 32.24 H new ATOM 0 HD3 LYS A 67 -10.796 -9.207 -1.538 1.00 32.24 H new ATOM 0 HE2 LYS A 67 -9.864 -11.547 -1.793 1.00 30.44 H new ATOM 0 HE3 LYS A 67 -10.469 -11.933 -0.194 1.00 30.44 H new ATOM 0 HZ1 LYS A 67 -11.866 -12.393 -2.348 1.00 40.54 H new ATOM 0 HZ2 LYS A 67 -12.612 -11.937 -0.893 1.00 40.54 H new ATOM 0 HZ3 LYS A 67 -12.357 -10.785 -2.114 1.00 40.54 H new ATOM 1106 N ASP A 68 -6.393 -9.741 1.288 1.00 64.21 N ATOM 1107 CA ASP A 68 -5.800 -10.849 2.060 1.00 2.13 C ATOM 1108 C ASP A 68 -4.509 -10.392 2.749 1.00 44.21 C ATOM 1109 O ASP A 68 -4.266 -10.715 3.913 1.00 11.41 O ATOM 1110 CB ASP A 68 -5.526 -12.066 1.130 1.00 5.20 C ATOM 1111 CG ASP A 68 -6.816 -12.722 0.599 1.00 32.22 C ATOM 1112 OD1 ASP A 68 -7.595 -13.252 1.413 1.00 72.41 O ATOM 1113 OD2 ASP A 68 -7.049 -12.737 -0.627 1.00 63.25 O ATOM 0 H ASP A 68 -6.265 -9.840 0.281 1.00 64.21 H new ATOM 0 HA ASP A 68 -6.507 -11.156 2.831 1.00 2.13 H new ATOM 0 HB2 ASP A 68 -4.916 -11.742 0.287 1.00 5.20 H new ATOM 0 HB3 ASP A 68 -4.945 -12.810 1.676 1.00 5.20 H new ATOM 1118 N ILE A 69 -3.702 -9.612 2.012 1.00 62.25 N ATOM 1119 CA ILE A 69 -2.476 -8.984 2.537 1.00 30.32 C ATOM 1120 C ILE A 69 -2.840 -7.981 3.656 1.00 32.21 C ATOM 1121 O ILE A 69 -2.137 -7.878 4.664 1.00 70.02 O ATOM 1122 CB ILE A 69 -1.682 -8.251 1.388 1.00 25.21 C ATOM 1123 CG1 ILE A 69 -1.254 -9.254 0.266 1.00 4.44 C ATOM 1124 CG2 ILE A 69 -0.457 -7.497 1.951 1.00 22.13 C ATOM 1125 CD1 ILE A 69 -0.531 -8.621 -0.919 1.00 62.53 C ATOM 0 H ILE A 69 -3.881 -9.398 1.031 1.00 62.25 H new ATOM 0 HA ILE A 69 -1.836 -9.765 2.947 1.00 30.32 H new ATOM 0 HB ILE A 69 -2.352 -7.516 0.941 1.00 25.21 H new ATOM 0 HG12 ILE A 69 -0.606 -10.013 0.705 1.00 4.44 H new ATOM 0 HG13 ILE A 69 -2.143 -9.767 -0.101 1.00 4.44 H new ATOM 0 HG21 ILE A 69 0.071 -7.001 1.136 1.00 22.13 H new ATOM 0 HG22 ILE A 69 -0.789 -6.752 2.674 1.00 22.13 H new ATOM 0 HG23 ILE A 69 0.213 -8.205 2.440 1.00 22.13 H new ATOM 0 HD11 ILE A 69 -0.275 -9.394 -1.644 1.00 62.53 H new ATOM 0 HD12 ILE A 69 -1.181 -7.883 -1.390 1.00 62.53 H new ATOM 0 HD13 ILE A 69 0.380 -8.133 -0.571 1.00 62.53 H new ATOM 1137 N ALA A 70 -3.978 -7.289 3.459 1.00 64.40 N ATOM 1138 CA ALA A 70 -4.499 -6.266 4.378 1.00 30.11 C ATOM 1139 C ALA A 70 -4.986 -6.882 5.696 1.00 30.44 C ATOM 1140 O ALA A 70 -4.711 -6.350 6.777 1.00 22.34 O ATOM 1141 CB ALA A 70 -5.640 -5.494 3.704 1.00 72.20 C ATOM 0 H ALA A 70 -4.570 -7.430 2.641 1.00 64.40 H new ATOM 0 HA ALA A 70 -3.684 -5.582 4.615 1.00 30.11 H new ATOM 0 HB1 ALA A 70 -6.022 -4.738 4.389 1.00 72.20 H new ATOM 0 HB2 ALA A 70 -5.268 -5.011 2.801 1.00 72.20 H new ATOM 0 HB3 ALA A 70 -6.442 -6.185 3.442 1.00 72.20 H new ATOM 1147 N GLU A 71 -5.720 -8.008 5.580 1.00 42.11 N ATOM 1148 CA GLU A 71 -6.261 -8.742 6.734 1.00 44.03 C ATOM 1149 C GLU A 71 -5.123 -9.387 7.541 1.00 51.21 C ATOM 1150 O GLU A 71 -5.182 -9.429 8.772 1.00 53.30 O ATOM 1151 CB GLU A 71 -7.271 -9.825 6.274 1.00 31.25 C ATOM 1152 CG GLU A 71 -7.987 -10.528 7.449 1.00 54.41 C ATOM 1153 CD GLU A 71 -8.806 -11.749 7.025 1.00 22.53 C ATOM 1154 OE1 GLU A 71 -8.249 -12.866 7.003 1.00 60.35 O ATOM 1155 OE2 GLU A 71 -10.014 -11.609 6.740 1.00 30.32 O ATOM 0 H GLU A 71 -5.952 -8.431 4.681 1.00 42.11 H new ATOM 0 HA GLU A 71 -6.786 -8.031 7.373 1.00 44.03 H new ATOM 0 HB2 GLU A 71 -8.017 -9.365 5.625 1.00 31.25 H new ATOM 0 HB3 GLU A 71 -6.747 -10.572 5.677 1.00 31.25 H new ATOM 0 HG2 GLU A 71 -7.244 -10.837 8.184 1.00 54.41 H new ATOM 0 HG3 GLU A 71 -8.645 -9.813 7.943 1.00 54.41 H new ATOM 1162 N TYR A 72 -4.089 -9.874 6.819 1.00 32.21 N ATOM 1163 CA TYR A 72 -2.871 -10.442 7.433 1.00 31.54 C ATOM 1164 C TYR A 72 -2.094 -9.349 8.185 1.00 23.34 C ATOM 1165 O TYR A 72 -1.619 -9.580 9.292 1.00 61.14 O ATOM 1166 CB TYR A 72 -1.947 -11.117 6.376 1.00 1.11 C ATOM 1167 CG TYR A 72 -0.595 -11.589 6.966 1.00 40.21 C ATOM 1168 CD1 TYR A 72 -0.522 -12.693 7.823 1.00 73.41 C ATOM 1169 CD2 TYR A 72 0.594 -10.890 6.714 1.00 2.24 C ATOM 1170 CE1 TYR A 72 0.676 -13.076 8.395 1.00 61.03 C ATOM 1171 CE2 TYR A 72 1.791 -11.282 7.280 1.00 73.25 C ATOM 1172 CZ TYR A 72 1.827 -12.370 8.119 1.00 63.40 C ATOM 1173 OH TYR A 72 3.018 -12.751 8.700 1.00 44.42 O ATOM 0 H TYR A 72 -4.076 -9.884 5.799 1.00 32.21 H new ATOM 0 HA TYR A 72 -3.190 -11.211 8.136 1.00 31.54 H new ATOM 0 HB2 TYR A 72 -2.465 -11.972 5.942 1.00 1.11 H new ATOM 0 HB3 TYR A 72 -1.757 -10.413 5.565 1.00 1.11 H new ATOM 0 HD1 TYR A 72 -1.418 -13.255 8.041 1.00 73.41 H new ATOM 0 HD2 TYR A 72 0.573 -10.028 6.064 1.00 2.24 H new ATOM 0 HE1 TYR A 72 0.710 -13.928 9.058 1.00 61.03 H new ATOM 0 HE2 TYR A 72 2.697 -10.735 7.064 1.00 73.25 H new ATOM 0 HH TYR A 72 3.208 -12.172 9.467 1.00 44.42 H new ATOM 1183 N ALA A 73 -1.989 -8.173 7.559 1.00 0.34 N ATOM 1184 CA ALA A 73 -1.316 -6.995 8.124 1.00 22.40 C ATOM 1185 C ALA A 73 -1.983 -6.566 9.448 1.00 44.05 C ATOM 1186 O ALA A 73 -1.308 -6.258 10.432 1.00 43.31 O ATOM 1187 CB ALA A 73 -1.372 -5.864 7.101 1.00 52.33 C ATOM 0 H ALA A 73 -2.375 -8.008 6.629 1.00 0.34 H new ATOM 0 HA ALA A 73 -0.277 -7.239 8.345 1.00 22.40 H new ATOM 0 HB1 ALA A 73 -0.876 -4.982 7.506 1.00 52.33 H new ATOM 0 HB2 ALA A 73 -0.868 -6.176 6.186 1.00 52.33 H new ATOM 0 HB3 ALA A 73 -2.412 -5.625 6.879 1.00 52.33 H new ATOM 1193 N GLN A 74 -3.324 -6.596 9.439 1.00 25.22 N ATOM 1194 CA GLN A 74 -4.154 -6.297 10.611 1.00 15.05 C ATOM 1195 C GLN A 74 -4.097 -7.445 11.643 1.00 60.41 C ATOM 1196 O GLN A 74 -4.223 -7.206 12.848 1.00 44.43 O ATOM 1197 CB GLN A 74 -5.607 -6.021 10.161 1.00 23.25 C ATOM 1198 CG GLN A 74 -6.585 -5.719 11.307 1.00 71.53 C ATOM 1199 CD GLN A 74 -7.973 -5.348 10.813 1.00 32.20 C ATOM 1200 OE1 GLN A 74 -8.810 -6.215 10.588 1.00 52.24 O ATOM 1201 NE2 GLN A 74 -8.219 -4.063 10.618 1.00 41.20 N ATOM 0 H GLN A 74 -3.867 -6.831 8.608 1.00 25.22 H new ATOM 0 HA GLN A 74 -3.763 -5.405 11.101 1.00 15.05 H new ATOM 0 HB2 GLN A 74 -5.606 -5.178 9.470 1.00 23.25 H new ATOM 0 HB3 GLN A 74 -5.972 -6.886 9.607 1.00 23.25 H new ATOM 0 HG2 GLN A 74 -6.657 -6.591 11.957 1.00 71.53 H new ATOM 0 HG3 GLN A 74 -6.189 -4.903 11.911 1.00 71.53 H new ATOM 0 HE21 GLN A 74 -7.498 -3.370 10.816 1.00 41.20 H new ATOM 0 HE22 GLN A 74 -9.130 -3.765 10.269 1.00 41.20 H new ATOM 1210 N LYS A 75 -3.886 -8.687 11.161 1.00 41.34 N ATOM 1211 CA LYS A 75 -3.700 -9.871 12.027 1.00 13.23 C ATOM 1212 C LYS A 75 -2.371 -9.762 12.798 1.00 75.41 C ATOM 1213 O LYS A 75 -2.261 -10.232 13.934 1.00 10.22 O ATOM 1214 CB LYS A 75 -3.742 -11.187 11.188 1.00 33.21 C ATOM 1215 CG LYS A 75 -3.767 -12.522 11.996 1.00 70.45 C ATOM 1216 CD LYS A 75 -5.179 -12.946 12.498 1.00 33.22 C ATOM 1217 CE LYS A 75 -5.763 -12.046 13.600 1.00 53.33 C ATOM 1218 NZ LYS A 75 -7.181 -12.376 13.894 1.00 55.12 N ATOM 0 H LYS A 75 -3.840 -8.898 10.164 1.00 41.34 H new ATOM 0 HA LYS A 75 -4.519 -9.904 12.745 1.00 13.23 H new ATOM 0 HB2 LYS A 75 -4.625 -11.157 10.549 1.00 33.21 H new ATOM 0 HB3 LYS A 75 -2.873 -11.201 10.530 1.00 33.21 H new ATOM 0 HG2 LYS A 75 -3.363 -13.318 11.371 1.00 70.45 H new ATOM 0 HG3 LYS A 75 -3.104 -12.424 12.855 1.00 70.45 H new ATOM 0 HD2 LYS A 75 -5.865 -12.952 11.651 1.00 33.22 H new ATOM 0 HD3 LYS A 75 -5.125 -13.968 12.872 1.00 33.22 H new ATOM 0 HE2 LYS A 75 -5.170 -12.153 14.508 1.00 53.33 H new ATOM 0 HE3 LYS A 75 -5.690 -11.003 13.293 1.00 53.33 H new ATOM 0 HZ1 LYS A 75 -7.536 -11.747 14.642 1.00 55.12 H new ATOM 0 HZ2 LYS A 75 -7.752 -12.249 13.034 1.00 55.12 H new ATOM 0 HZ3 LYS A 75 -7.249 -13.364 14.212 1.00 55.12 H new ATOM 1232 N GLU A 76 -1.382 -9.103 12.165 1.00 64.22 N ATOM 1233 CA GLU A 76 -0.089 -8.753 12.789 1.00 75.34 C ATOM 1234 C GLU A 76 -0.254 -7.585 13.787 1.00 45.12 C ATOM 1235 O GLU A 76 0.671 -7.283 14.548 1.00 3.03 O ATOM 1236 CB GLU A 76 0.942 -8.378 11.688 1.00 24.33 C ATOM 1237 CG GLU A 76 1.250 -9.486 10.660 1.00 21.31 C ATOM 1238 CD GLU A 76 2.063 -10.656 11.230 1.00 50.13 C ATOM 1239 OE1 GLU A 76 1.499 -11.492 11.968 1.00 4.41 O ATOM 1240 OE2 GLU A 76 3.273 -10.757 10.932 1.00 74.23 O ATOM 0 H GLU A 76 -1.458 -8.795 11.196 1.00 64.22 H new ATOM 0 HA GLU A 76 0.274 -9.620 13.342 1.00 75.34 H new ATOM 0 HB2 GLU A 76 0.574 -7.503 11.153 1.00 24.33 H new ATOM 0 HB3 GLU A 76 1.874 -8.087 12.172 1.00 24.33 H new ATOM 0 HG2 GLU A 76 0.311 -9.869 10.262 1.00 21.31 H new ATOM 0 HG3 GLU A 76 1.797 -9.050 9.824 1.00 21.31 H new ATOM 1247 N GLY A 77 -1.441 -6.937 13.752 1.00 15.11 N ATOM 1248 CA GLY A 77 -1.790 -5.833 14.647 1.00 11.41 C ATOM 1249 C GLY A 77 -1.233 -4.501 14.174 1.00 73.11 C ATOM 1250 O GLY A 77 -0.994 -3.593 14.982 1.00 10.31 O ATOM 0 H GLY A 77 -2.183 -7.175 13.093 1.00 15.11 H new ATOM 0 HA2 GLY A 77 -2.875 -5.762 14.725 1.00 11.41 H new ATOM 0 HA3 GLY A 77 -1.412 -6.047 15.647 1.00 11.41 H new ATOM 1254 N LEU A 78 -1.025 -4.391 12.849 1.00 1.22 N ATOM 1255 CA LEU A 78 -0.364 -3.231 12.227 1.00 33.25 C ATOM 1256 C LEU A 78 -1.385 -2.257 11.636 1.00 23.21 C ATOM 1257 O LEU A 78 -2.535 -2.629 11.355 1.00 14.41 O ATOM 1258 CB LEU A 78 0.630 -3.695 11.120 1.00 15.35 C ATOM 1259 CG LEU A 78 1.680 -4.767 11.551 1.00 74.12 C ATOM 1260 CD1 LEU A 78 2.722 -5.020 10.435 1.00 21.15 C ATOM 1261 CD2 LEU A 78 2.345 -4.404 12.902 1.00 64.20 C ATOM 0 H LEU A 78 -1.311 -5.105 12.180 1.00 1.22 H new ATOM 0 HA LEU A 78 0.190 -2.711 13.008 1.00 33.25 H new ATOM 0 HB2 LEU A 78 0.053 -4.094 10.286 1.00 15.35 H new ATOM 0 HB3 LEU A 78 1.164 -2.820 10.749 1.00 15.35 H new ATOM 0 HG LEU A 78 1.147 -5.705 11.706 1.00 74.12 H new ATOM 0 HD11 LEU A 78 3.437 -5.772 10.769 1.00 21.15 H new ATOM 0 HD12 LEU A 78 2.215 -5.375 9.538 1.00 21.15 H new ATOM 0 HD13 LEU A 78 3.248 -4.092 10.211 1.00 21.15 H new ATOM 0 HD21 LEU A 78 3.070 -5.173 13.169 1.00 64.20 H new ATOM 0 HD22 LEU A 78 2.852 -3.443 12.811 1.00 64.20 H new ATOM 0 HD23 LEU A 78 1.582 -4.340 13.678 1.00 64.20 H new ATOM 1273 N ARG A 79 -0.928 -1.006 11.461 1.00 73.33 N ATOM 1274 CA ARG A 79 -1.678 0.043 10.770 1.00 53.22 C ATOM 1275 C ARG A 79 -1.703 -0.300 9.269 1.00 0.20 C ATOM 1276 O ARG A 79 -0.646 -0.441 8.660 1.00 4.14 O ATOM 1277 CB ARG A 79 -0.996 1.423 11.000 1.00 61.13 C ATOM 1278 CG ARG A 79 -0.701 1.772 12.480 1.00 24.24 C ATOM 1279 CD ARG A 79 0.029 3.122 12.641 1.00 74.31 C ATOM 1280 NE ARG A 79 0.406 3.391 14.038 1.00 44.33 N ATOM 1281 CZ ARG A 79 0.917 4.549 14.494 1.00 31.43 C ATOM 1282 NH1 ARG A 79 1.116 5.585 13.677 1.00 45.53 N ATOM 1283 NH2 ARG A 79 1.225 4.665 15.772 1.00 45.11 N ATOM 0 H ARG A 79 -0.017 -0.697 11.801 1.00 73.33 H new ATOM 0 HA ARG A 79 -2.696 0.101 11.156 1.00 53.22 H new ATOM 0 HB2 ARG A 79 -0.059 1.445 10.444 1.00 61.13 H new ATOM 0 HB3 ARG A 79 -1.634 2.201 10.580 1.00 61.13 H new ATOM 0 HG2 ARG A 79 -1.638 1.802 13.035 1.00 24.24 H new ATOM 0 HG3 ARG A 79 -0.095 0.981 12.921 1.00 24.24 H new ATOM 0 HD2 ARG A 79 0.924 3.125 12.019 1.00 74.31 H new ATOM 0 HD3 ARG A 79 -0.613 3.925 12.279 1.00 74.31 H new ATOM 0 HE ARG A 79 0.269 2.640 14.714 1.00 44.33 H new ATOM 0 HH11 ARG A 79 0.880 5.507 12.688 1.00 45.53 H new ATOM 0 HH12 ARG A 79 1.504 6.455 14.042 1.00 45.53 H new ATOM 0 HH21 ARG A 79 1.075 3.880 16.406 1.00 45.11 H new ATOM 0 HH22 ARG A 79 1.613 5.540 16.126 1.00 45.11 H new ATOM 1297 N VAL A 80 -2.891 -0.504 8.693 1.00 51.21 N ATOM 1298 CA VAL A 80 -3.030 -0.816 7.258 1.00 32.34 C ATOM 1299 C VAL A 80 -3.518 0.437 6.522 1.00 73.41 C ATOM 1300 O VAL A 80 -4.609 0.941 6.805 1.00 11.03 O ATOM 1301 CB VAL A 80 -4.010 -2.016 7.004 1.00 44.13 C ATOM 1302 CG1 VAL A 80 -3.997 -2.446 5.512 1.00 72.22 C ATOM 1303 CG2 VAL A 80 -3.699 -3.203 7.950 1.00 14.32 C ATOM 0 H VAL A 80 -3.777 -0.460 9.197 1.00 51.21 H new ATOM 0 HA VAL A 80 -2.055 -1.120 6.878 1.00 32.34 H new ATOM 0 HB VAL A 80 -5.021 -1.678 7.233 1.00 44.13 H new ATOM 0 HG11 VAL A 80 -4.685 -3.279 5.367 1.00 72.22 H new ATOM 0 HG12 VAL A 80 -4.306 -1.607 4.889 1.00 72.22 H new ATOM 0 HG13 VAL A 80 -2.990 -2.755 5.231 1.00 72.22 H new ATOM 0 HG21 VAL A 80 -4.394 -4.019 7.751 1.00 14.32 H new ATOM 0 HG22 VAL A 80 -2.678 -3.546 7.780 1.00 14.32 H new ATOM 0 HG23 VAL A 80 -3.806 -2.880 8.986 1.00 14.32 H new ATOM 1313 N ILE A 81 -2.683 0.953 5.608 1.00 32.44 N ATOM 1314 CA ILE A 81 -2.969 2.156 4.822 1.00 11.41 C ATOM 1315 C ILE A 81 -3.117 1.750 3.346 1.00 54.25 C ATOM 1316 O ILE A 81 -2.143 1.352 2.735 1.00 24.44 O ATOM 1317 CB ILE A 81 -1.802 3.212 4.946 1.00 33.33 C ATOM 1318 CG1 ILE A 81 -1.396 3.479 6.437 1.00 11.22 C ATOM 1319 CG2 ILE A 81 -2.186 4.525 4.221 1.00 11.31 C ATOM 1320 CD1 ILE A 81 -2.465 4.114 7.303 1.00 44.33 C ATOM 0 H ILE A 81 -1.777 0.538 5.393 1.00 32.44 H new ATOM 0 HA ILE A 81 -3.885 2.611 5.199 1.00 11.41 H new ATOM 0 HB ILE A 81 -0.923 2.790 4.458 1.00 33.33 H new ATOM 0 HG12 ILE A 81 -1.102 2.532 6.890 1.00 11.22 H new ATOM 0 HG13 ILE A 81 -0.517 4.123 6.446 1.00 11.22 H new ATOM 0 HG21 ILE A 81 -1.372 5.244 4.315 1.00 11.31 H new ATOM 0 HG22 ILE A 81 -2.368 4.318 3.166 1.00 11.31 H new ATOM 0 HG23 ILE A 81 -3.089 4.938 4.671 1.00 11.31 H new ATOM 0 HD11 ILE A 81 -2.079 4.254 8.313 1.00 44.33 H new ATOM 0 HD12 ILE A 81 -2.746 5.080 6.884 1.00 44.33 H new ATOM 0 HD13 ILE A 81 -3.340 3.465 7.336 1.00 44.33 H new ATOM 1332 N VAL A 82 -4.317 1.861 2.775 1.00 54.31 N ATOM 1333 CA VAL A 82 -4.583 1.448 1.379 1.00 12.42 C ATOM 1334 C VAL A 82 -4.696 2.696 0.488 1.00 73.42 C ATOM 1335 O VAL A 82 -5.567 3.507 0.696 1.00 71.32 O ATOM 1336 CB VAL A 82 -5.901 0.584 1.305 1.00 11.34 C ATOM 1337 CG1 VAL A 82 -6.244 0.171 -0.150 1.00 72.54 C ATOM 1338 CG2 VAL A 82 -5.803 -0.647 2.244 1.00 14.24 C ATOM 0 H VAL A 82 -5.134 2.237 3.256 1.00 54.31 H new ATOM 0 HA VAL A 82 -3.758 0.833 1.020 1.00 12.42 H new ATOM 0 HB VAL A 82 -6.725 1.207 1.653 1.00 11.34 H new ATOM 0 HG11 VAL A 82 -7.158 -0.422 -0.154 1.00 72.54 H new ATOM 0 HG12 VAL A 82 -6.389 1.064 -0.757 1.00 72.54 H new ATOM 0 HG13 VAL A 82 -5.426 -0.420 -0.563 1.00 72.54 H new ATOM 0 HG21 VAL A 82 -6.722 -1.229 2.178 1.00 14.24 H new ATOM 0 HG22 VAL A 82 -4.958 -1.267 1.944 1.00 14.24 H new ATOM 0 HG23 VAL A 82 -5.660 -0.311 3.271 1.00 14.24 H new ATOM 1348 N ILE A 83 -3.788 2.874 -0.479 1.00 33.11 N ATOM 1349 CA ILE A 83 -3.812 4.013 -1.417 1.00 11.40 C ATOM 1350 C ILE A 83 -4.128 3.501 -2.828 1.00 43.32 C ATOM 1351 O ILE A 83 -3.280 2.884 -3.471 1.00 1.53 O ATOM 1352 CB ILE A 83 -2.437 4.779 -1.406 1.00 63.10 C ATOM 1353 CG1 ILE A 83 -2.079 5.213 0.053 1.00 21.13 C ATOM 1354 CG2 ILE A 83 -2.455 5.996 -2.377 1.00 41.52 C ATOM 1355 CD1 ILE A 83 -0.720 5.851 0.210 1.00 22.03 C ATOM 0 H ILE A 83 -3.011 2.232 -0.637 1.00 33.11 H new ATOM 0 HA ILE A 83 -4.586 4.714 -1.103 1.00 11.40 H new ATOM 0 HB ILE A 83 -1.661 4.102 -1.764 1.00 63.10 H new ATOM 0 HG12 ILE A 83 -2.836 5.914 0.404 1.00 21.13 H new ATOM 0 HG13 ILE A 83 -2.130 4.337 0.700 1.00 21.13 H new ATOM 0 HG21 ILE A 83 -1.490 6.502 -2.344 1.00 41.52 H new ATOM 0 HG22 ILE A 83 -2.648 5.649 -3.392 1.00 41.52 H new ATOM 0 HG23 ILE A 83 -3.239 6.690 -2.075 1.00 41.52 H new ATOM 0 HD11 ILE A 83 -0.562 6.118 1.255 1.00 22.03 H new ATOM 0 HD12 ILE A 83 0.051 5.148 -0.106 1.00 22.03 H new ATOM 0 HD13 ILE A 83 -0.666 6.749 -0.406 1.00 22.03 H new ATOM 1367 N ILE A 84 -5.356 3.751 -3.295 1.00 42.24 N ATOM 1368 CA ILE A 84 -5.814 3.324 -4.624 1.00 52.11 C ATOM 1369 C ILE A 84 -5.545 4.459 -5.624 1.00 31.22 C ATOM 1370 O ILE A 84 -5.884 5.616 -5.349 1.00 61.31 O ATOM 1371 CB ILE A 84 -7.339 2.963 -4.611 1.00 41.42 C ATOM 1372 CG1 ILE A 84 -7.654 1.991 -3.432 1.00 34.42 C ATOM 1373 CG2 ILE A 84 -7.784 2.355 -5.973 1.00 42.33 C ATOM 1374 CD1 ILE A 84 -9.123 1.750 -3.208 1.00 54.35 C ATOM 0 H ILE A 84 -6.063 4.257 -2.761 1.00 42.24 H new ATOM 0 HA ILE A 84 -5.268 2.427 -4.918 1.00 52.11 H new ATOM 0 HB ILE A 84 -7.908 3.881 -4.461 1.00 41.42 H new ATOM 0 HG12 ILE A 84 -7.165 1.036 -3.623 1.00 34.42 H new ATOM 0 HG13 ILE A 84 -7.220 2.394 -2.517 1.00 34.42 H new ATOM 0 HG21 ILE A 84 -8.846 2.114 -5.934 1.00 42.33 H new ATOM 0 HG22 ILE A 84 -7.604 3.077 -6.770 1.00 42.33 H new ATOM 0 HG23 ILE A 84 -7.213 1.447 -6.170 1.00 42.33 H new ATOM 0 HD11 ILE A 84 -9.256 1.064 -2.371 1.00 54.35 H new ATOM 0 HD12 ILE A 84 -9.617 2.696 -2.984 1.00 54.35 H new ATOM 0 HD13 ILE A 84 -9.562 1.316 -4.106 1.00 54.35 H new ATOM 1386 N VAL A 85 -4.940 4.107 -6.772 1.00 12.30 N ATOM 1387 CA VAL A 85 -4.473 5.046 -7.783 1.00 14.41 C ATOM 1388 C VAL A 85 -5.264 4.805 -9.075 1.00 30.44 C ATOM 1389 O VAL A 85 -5.006 3.832 -9.802 1.00 1.31 O ATOM 1390 CB VAL A 85 -2.923 4.874 -8.034 1.00 11.12 C ATOM 1391 CG1 VAL A 85 -2.376 5.959 -8.995 1.00 74.42 C ATOM 1392 CG2 VAL A 85 -2.152 4.841 -6.689 1.00 14.20 C ATOM 0 H VAL A 85 -4.762 3.134 -7.020 1.00 12.30 H new ATOM 0 HA VAL A 85 -4.636 6.067 -7.439 1.00 14.41 H new ATOM 0 HB VAL A 85 -2.764 3.915 -8.528 1.00 11.12 H new ATOM 0 HG11 VAL A 85 -1.307 5.808 -9.143 1.00 74.42 H new ATOM 0 HG12 VAL A 85 -2.889 5.888 -9.954 1.00 74.42 H new ATOM 0 HG13 VAL A 85 -2.547 6.946 -8.565 1.00 74.42 H new ATOM 0 HG21 VAL A 85 -1.086 4.722 -6.883 1.00 14.20 H new ATOM 0 HG22 VAL A 85 -2.321 5.773 -6.150 1.00 14.20 H new ATOM 0 HG23 VAL A 85 -2.507 4.005 -6.087 1.00 14.20 H new ATOM 1402 N SER A 86 -6.242 5.687 -9.312 1.00 15.31 N ATOM 1403 CA SER A 86 -7.125 5.649 -10.481 1.00 13.04 C ATOM 1404 C SER A 86 -7.808 7.011 -10.630 1.00 52.33 C ATOM 1405 O SER A 86 -8.083 7.692 -9.632 1.00 33.44 O ATOM 1406 CB SER A 86 -8.195 4.532 -10.341 1.00 50.03 C ATOM 1407 OG SER A 86 -9.063 4.487 -11.469 1.00 42.12 O ATOM 0 H SER A 86 -6.445 6.463 -8.682 1.00 15.31 H new ATOM 0 HA SER A 86 -6.529 5.429 -11.366 1.00 13.04 H new ATOM 0 HB2 SER A 86 -7.701 3.568 -10.224 1.00 50.03 H new ATOM 0 HB3 SER A 86 -8.781 4.701 -9.438 1.00 50.03 H new ATOM 0 HG SER A 86 -9.499 3.610 -11.512 1.00 42.12 H new ATOM 1413 N GLN A 87 -8.068 7.394 -11.880 1.00 5.11 N ATOM 1414 CA GLN A 87 -8.792 8.627 -12.223 1.00 64.43 C ATOM 1415 C GLN A 87 -10.306 8.449 -12.007 1.00 14.21 C ATOM 1416 O GLN A 87 -11.022 9.423 -11.748 1.00 13.32 O ATOM 1417 CB GLN A 87 -8.451 9.033 -13.685 1.00 34.52 C ATOM 1418 CG GLN A 87 -8.727 7.944 -14.752 1.00 73.54 C ATOM 1419 CD GLN A 87 -8.125 8.266 -16.129 1.00 23.33 C ATOM 1420 OE1 GLN A 87 -7.100 8.940 -16.227 1.00 74.21 O ATOM 1421 NE2 GLN A 87 -8.733 7.770 -17.196 1.00 15.50 N ATOM 0 H GLN A 87 -7.780 6.853 -12.696 1.00 5.11 H new ATOM 0 HA GLN A 87 -8.475 9.435 -11.563 1.00 64.43 H new ATOM 0 HB2 GLN A 87 -9.024 9.924 -13.941 1.00 34.52 H new ATOM 0 HB3 GLN A 87 -7.397 9.307 -13.733 1.00 34.52 H new ATOM 0 HG2 GLN A 87 -8.324 6.994 -14.402 1.00 73.54 H new ATOM 0 HG3 GLN A 87 -9.804 7.814 -14.857 1.00 73.54 H new ATOM 0 HE21 GLN A 87 -9.581 7.214 -17.087 1.00 15.50 H new ATOM 0 HE22 GLN A 87 -8.353 7.944 -18.126 1.00 15.50 H new ATOM 1430 N ASP A 88 -10.773 7.191 -12.092 1.00 4.10 N ATOM 1431 CA ASP A 88 -12.185 6.844 -11.897 1.00 64.43 C ATOM 1432 C ASP A 88 -12.473 6.694 -10.408 1.00 14.32 C ATOM 1433 O ASP A 88 -11.935 5.783 -9.766 1.00 35.32 O ATOM 1434 CB ASP A 88 -12.536 5.524 -12.626 1.00 74.53 C ATOM 1435 CG ASP A 88 -12.387 5.629 -14.143 1.00 50.43 C ATOM 1436 OD1 ASP A 88 -11.266 5.455 -14.651 1.00 13.23 O ATOM 1437 OD2 ASP A 88 -13.392 5.894 -14.838 1.00 51.22 O ATOM 0 H ASP A 88 -10.179 6.388 -12.298 1.00 4.10 H new ATOM 0 HA ASP A 88 -12.797 7.644 -12.315 1.00 64.43 H new ATOM 0 HB2 ASP A 88 -11.891 4.727 -12.256 1.00 74.53 H new ATOM 0 HB3 ASP A 88 -13.561 5.242 -12.385 1.00 74.53 H new ATOM 1442 N GLU A 89 -13.327 7.583 -9.873 1.00 61.21 N ATOM 1443 CA GLU A 89 -13.813 7.488 -8.488 1.00 30.04 C ATOM 1444 C GLU A 89 -14.688 6.250 -8.288 1.00 72.13 C ATOM 1445 O GLU A 89 -14.747 5.730 -7.194 1.00 72.45 O ATOM 1446 CB GLU A 89 -14.568 8.761 -8.051 1.00 63.20 C ATOM 1447 CG GLU A 89 -13.680 10.020 -7.989 1.00 11.33 C ATOM 1448 CD GLU A 89 -14.389 11.204 -7.325 1.00 34.32 C ATOM 1449 OE1 GLU A 89 -14.567 11.175 -6.085 1.00 14.31 O ATOM 1450 OE2 GLU A 89 -14.788 12.150 -8.028 1.00 32.34 O ATOM 0 H GLU A 89 -13.697 8.383 -10.386 1.00 61.21 H new ATOM 0 HA GLU A 89 -12.933 7.392 -7.853 1.00 30.04 H new ATOM 0 HB2 GLU A 89 -15.390 8.941 -8.744 1.00 63.20 H new ATOM 0 HB3 GLU A 89 -15.010 8.591 -7.069 1.00 63.20 H new ATOM 0 HG2 GLU A 89 -12.768 9.791 -7.438 1.00 11.33 H new ATOM 0 HG3 GLU A 89 -13.380 10.300 -8.999 1.00 11.33 H new ATOM 1457 N GLU A 90 -15.323 5.769 -9.362 1.00 30.31 N ATOM 1458 CA GLU A 90 -16.113 4.524 -9.338 1.00 0.34 C ATOM 1459 C GLU A 90 -15.215 3.303 -9.048 1.00 53.43 C ATOM 1460 O GLU A 90 -15.645 2.359 -8.384 1.00 2.31 O ATOM 1461 CB GLU A 90 -16.882 4.354 -10.676 1.00 1.12 C ATOM 1462 CG GLU A 90 -17.900 5.481 -10.968 1.00 53.03 C ATOM 1463 CD GLU A 90 -18.959 5.657 -9.863 1.00 50.01 C ATOM 1464 OE1 GLU A 90 -19.988 4.943 -9.886 1.00 45.04 O ATOM 1465 OE2 GLU A 90 -18.766 6.497 -8.961 1.00 33.31 O ATOM 0 H GLU A 90 -15.307 6.228 -10.273 1.00 30.31 H new ATOM 0 HA GLU A 90 -16.842 4.590 -8.530 1.00 0.34 H new ATOM 0 HB2 GLU A 90 -16.162 4.309 -11.493 1.00 1.12 H new ATOM 0 HB3 GLU A 90 -17.408 3.399 -10.662 1.00 1.12 H new ATOM 0 HG2 GLU A 90 -17.362 6.420 -11.097 1.00 53.03 H new ATOM 0 HG3 GLU A 90 -18.403 5.269 -11.911 1.00 53.03 H new ATOM 1472 N ALA A 91 -13.958 3.364 -9.528 1.00 44.44 N ATOM 1473 CA ALA A 91 -12.934 2.339 -9.253 1.00 31.15 C ATOM 1474 C ALA A 91 -12.382 2.490 -7.822 1.00 65.51 C ATOM 1475 O ALA A 91 -12.197 1.494 -7.107 1.00 72.12 O ATOM 1476 CB ALA A 91 -11.801 2.433 -10.291 1.00 64.15 C ATOM 0 H ALA A 91 -13.624 4.126 -10.118 1.00 44.44 H new ATOM 0 HA ALA A 91 -13.395 1.354 -9.331 1.00 31.15 H new ATOM 0 HB1 ALA A 91 -11.050 1.672 -10.079 1.00 64.15 H new ATOM 0 HB2 ALA A 91 -12.208 2.273 -11.289 1.00 64.15 H new ATOM 0 HB3 ALA A 91 -11.342 3.420 -10.240 1.00 64.15 H new ATOM 1482 N LEU A 92 -12.154 3.759 -7.422 1.00 42.31 N ATOM 1483 CA LEU A 92 -11.609 4.119 -6.099 1.00 64.42 C ATOM 1484 C LEU A 92 -12.540 3.649 -4.965 1.00 51.25 C ATOM 1485 O LEU A 92 -12.103 2.945 -4.073 1.00 62.24 O ATOM 1486 CB LEU A 92 -11.408 5.658 -5.999 1.00 11.11 C ATOM 1487 CG LEU A 92 -10.390 6.294 -6.997 1.00 71.14 C ATOM 1488 CD1 LEU A 92 -10.460 7.833 -6.949 1.00 55.24 C ATOM 1489 CD2 LEU A 92 -8.954 5.792 -6.745 1.00 55.22 C ATOM 0 H LEU A 92 -12.345 4.567 -8.014 1.00 42.31 H new ATOM 0 HA LEU A 92 -10.647 3.617 -5.989 1.00 64.42 H new ATOM 0 HB2 LEU A 92 -12.375 6.139 -6.146 1.00 11.11 H new ATOM 0 HB3 LEU A 92 -11.085 5.895 -4.985 1.00 11.11 H new ATOM 0 HG LEU A 92 -10.671 5.975 -8.000 1.00 71.14 H new ATOM 0 HD11 LEU A 92 -9.741 8.252 -7.653 1.00 55.24 H new ATOM 0 HD12 LEU A 92 -11.464 8.160 -7.218 1.00 55.24 H new ATOM 0 HD13 LEU A 92 -10.224 8.177 -5.942 1.00 55.24 H new ATOM 0 HD21 LEU A 92 -8.275 6.257 -7.460 1.00 55.22 H new ATOM 0 HD22 LEU A 92 -8.650 6.054 -5.732 1.00 55.22 H new ATOM 0 HD23 LEU A 92 -8.921 4.709 -6.865 1.00 55.22 H new ATOM 1501 N ARG A 93 -13.833 4.010 -5.075 1.00 1.22 N ATOM 1502 CA ARG A 93 -14.850 3.865 -4.001 1.00 13.12 C ATOM 1503 C ARG A 93 -15.116 2.407 -3.608 1.00 61.40 C ATOM 1504 O ARG A 93 -15.472 2.143 -2.456 1.00 4.22 O ATOM 1505 CB ARG A 93 -16.180 4.552 -4.415 1.00 2.45 C ATOM 1506 CG ARG A 93 -16.093 6.094 -4.478 1.00 74.24 C ATOM 1507 CD ARG A 93 -17.305 6.744 -5.167 1.00 70.24 C ATOM 1508 NE ARG A 93 -17.111 8.198 -5.337 1.00 73.25 N ATOM 1509 CZ ARG A 93 -17.790 8.983 -6.188 1.00 3.23 C ATOM 1510 NH1 ARG A 93 -18.729 8.479 -6.980 1.00 64.30 N ATOM 1511 NH2 ARG A 93 -17.496 10.273 -6.271 1.00 24.11 N ATOM 0 H ARG A 93 -14.213 4.420 -5.928 1.00 1.22 H new ATOM 0 HA ARG A 93 -14.435 4.358 -3.122 1.00 13.12 H new ATOM 0 HB2 ARG A 93 -16.484 4.175 -5.391 1.00 2.45 H new ATOM 0 HB3 ARG A 93 -16.959 4.270 -3.707 1.00 2.45 H new ATOM 0 HG2 ARG A 93 -16.005 6.488 -3.465 1.00 74.24 H new ATOM 0 HG3 ARG A 93 -15.185 6.378 -5.010 1.00 74.24 H new ATOM 0 HD2 ARG A 93 -17.464 6.280 -6.140 1.00 70.24 H new ATOM 0 HD3 ARG A 93 -18.203 6.562 -4.576 1.00 70.24 H new ATOM 0 HE ARG A 93 -16.400 8.644 -4.758 1.00 73.25 H new ATOM 0 HH11 ARG A 93 -18.943 7.482 -6.947 1.00 64.30 H new ATOM 0 HH12 ARG A 93 -19.236 9.089 -7.621 1.00 64.30 H new ATOM 0 HH21 ARG A 93 -16.756 10.666 -5.689 1.00 24.11 H new ATOM 0 HH22 ARG A 93 -18.010 10.873 -6.917 1.00 24.11 H new ATOM 1525 N LYS A 94 -14.965 1.473 -4.561 1.00 71.14 N ATOM 1526 CA LYS A 94 -15.180 0.035 -4.301 1.00 25.13 C ATOM 1527 C LYS A 94 -14.149 -0.480 -3.289 1.00 64.10 C ATOM 1528 O LYS A 94 -14.519 -1.079 -2.279 1.00 40.23 O ATOM 1529 CB LYS A 94 -15.131 -0.788 -5.610 1.00 52.23 C ATOM 1530 CG LYS A 94 -16.248 -0.437 -6.618 1.00 54.12 C ATOM 1531 CD LYS A 94 -16.282 -1.404 -7.821 1.00 42.50 C ATOM 1532 CE LYS A 94 -17.376 -1.050 -8.837 1.00 44.02 C ATOM 1533 NZ LYS A 94 -17.147 0.280 -9.456 1.00 71.44 N ATOM 0 H LYS A 94 -14.694 1.686 -5.521 1.00 71.14 H new ATOM 0 HA LYS A 94 -16.176 -0.089 -3.876 1.00 25.13 H new ATOM 0 HB2 LYS A 94 -14.164 -0.633 -6.088 1.00 52.23 H new ATOM 0 HB3 LYS A 94 -15.199 -1.848 -5.363 1.00 52.23 H new ATOM 0 HG2 LYS A 94 -17.212 -0.460 -6.110 1.00 54.12 H new ATOM 0 HG3 LYS A 94 -16.101 0.581 -6.978 1.00 54.12 H new ATOM 0 HD2 LYS A 94 -15.312 -1.392 -8.319 1.00 42.50 H new ATOM 0 HD3 LYS A 94 -16.442 -2.420 -7.460 1.00 42.50 H new ATOM 0 HE2 LYS A 94 -17.409 -1.812 -9.616 1.00 44.02 H new ATOM 0 HE3 LYS A 94 -18.347 -1.058 -8.342 1.00 44.02 H new ATOM 0 HZ1 LYS A 94 -18.003 0.862 -9.354 1.00 71.44 H new ATOM 0 HZ2 LYS A 94 -16.349 0.751 -8.983 1.00 71.44 H new ATOM 0 HZ3 LYS A 94 -16.928 0.160 -10.466 1.00 71.44 H new ATOM 1547 N GLY A 95 -12.866 -0.192 -3.558 1.00 55.03 N ATOM 1548 CA GLY A 95 -11.777 -0.553 -2.647 1.00 31.04 C ATOM 1549 C GLY A 95 -11.721 0.347 -1.420 1.00 65.12 C ATOM 1550 O GLY A 95 -11.350 -0.101 -0.337 1.00 63.30 O ATOM 0 H GLY A 95 -12.560 0.291 -4.403 1.00 55.03 H new ATOM 0 HA2 GLY A 95 -11.902 -1.588 -2.329 1.00 31.04 H new ATOM 0 HA3 GLY A 95 -10.828 -0.495 -3.180 1.00 31.04 H new ATOM 1554 N TYR A 96 -12.098 1.629 -1.611 1.00 64.22 N ATOM 1555 CA TYR A 96 -12.021 2.670 -0.577 1.00 54.34 C ATOM 1556 C TYR A 96 -12.904 2.300 0.597 1.00 24.01 C ATOM 1557 O TYR A 96 -12.420 2.139 1.712 1.00 31.35 O ATOM 1558 CB TYR A 96 -12.416 4.067 -1.145 1.00 3.34 C ATOM 1559 CG TYR A 96 -12.601 5.182 -0.090 1.00 3.32 C ATOM 1560 CD1 TYR A 96 -11.516 5.687 0.632 1.00 43.42 C ATOM 1561 CD2 TYR A 96 -13.866 5.715 0.198 1.00 21.25 C ATOM 1562 CE1 TYR A 96 -11.683 6.672 1.587 1.00 62.20 C ATOM 1563 CE2 TYR A 96 -14.033 6.696 1.155 1.00 73.23 C ATOM 1564 CZ TYR A 96 -12.940 7.173 1.845 1.00 10.00 C ATOM 1565 OH TYR A 96 -13.107 8.148 2.812 1.00 3.23 O ATOM 0 H TYR A 96 -12.468 1.969 -2.499 1.00 64.22 H new ATOM 0 HA TYR A 96 -10.988 2.736 -0.236 1.00 54.34 H new ATOM 0 HB2 TYR A 96 -11.649 4.383 -1.853 1.00 3.34 H new ATOM 0 HB3 TYR A 96 -13.345 3.963 -1.706 1.00 3.34 H new ATOM 0 HD1 TYR A 96 -10.526 5.299 0.440 1.00 43.42 H new ATOM 0 HD2 TYR A 96 -14.728 5.350 -0.341 1.00 21.25 H new ATOM 0 HE1 TYR A 96 -10.829 7.049 2.130 1.00 62.20 H new ATOM 0 HE2 TYR A 96 -15.018 7.088 1.362 1.00 73.23 H new ATOM 0 HH TYR A 96 -14.054 8.393 2.869 1.00 3.23 H new ATOM 1575 N GLU A 97 -14.189 2.109 0.299 1.00 61.32 N ATOM 1576 CA GLU A 97 -15.203 1.832 1.303 1.00 61.35 C ATOM 1577 C GLU A 97 -15.048 0.410 1.842 1.00 34.51 C ATOM 1578 O GLU A 97 -15.209 0.208 3.036 1.00 3.32 O ATOM 1579 CB GLU A 97 -16.609 2.079 0.711 1.00 74.40 C ATOM 1580 CG GLU A 97 -16.807 3.529 0.202 1.00 54.33 C ATOM 1581 CD GLU A 97 -18.183 3.775 -0.416 1.00 5.44 C ATOM 1582 OE1 GLU A 97 -18.373 3.475 -1.610 1.00 1.10 O ATOM 1583 OE2 GLU A 97 -19.092 4.244 0.289 1.00 54.40 O ATOM 0 H GLU A 97 -14.553 2.143 -0.653 1.00 61.32 H new ATOM 0 HA GLU A 97 -15.073 2.510 2.146 1.00 61.35 H new ATOM 0 HB2 GLU A 97 -16.777 1.385 -0.112 1.00 74.40 H new ATOM 0 HB3 GLU A 97 -17.360 1.861 1.470 1.00 74.40 H new ATOM 0 HG2 GLU A 97 -16.661 4.220 1.032 1.00 54.33 H new ATOM 0 HG3 GLU A 97 -16.039 3.754 -0.538 1.00 54.33 H new ATOM 1590 N ASP A 98 -14.667 -0.559 0.970 1.00 65.51 N ATOM 1591 CA ASP A 98 -14.511 -1.975 1.385 1.00 23.51 C ATOM 1592 C ASP A 98 -13.436 -2.101 2.472 1.00 51.21 C ATOM 1593 O ASP A 98 -13.726 -2.533 3.586 1.00 0.02 O ATOM 1594 CB ASP A 98 -14.147 -2.901 0.188 1.00 4.41 C ATOM 1595 CG ASP A 98 -13.943 -4.381 0.609 1.00 33.14 C ATOM 1596 OD1 ASP A 98 -14.945 -5.100 0.793 1.00 34.23 O ATOM 1597 OD2 ASP A 98 -12.785 -4.837 0.745 1.00 11.42 O ATOM 0 H ASP A 98 -14.464 -0.387 -0.015 1.00 65.51 H new ATOM 0 HA ASP A 98 -15.475 -2.297 1.780 1.00 23.51 H new ATOM 0 HB2 ASP A 98 -14.938 -2.847 -0.560 1.00 4.41 H new ATOM 0 HB3 ASP A 98 -13.236 -2.534 -0.285 1.00 4.41 H new ATOM 1602 N LYS A 99 -12.228 -1.615 2.154 1.00 74.52 N ATOM 1603 CA LYS A 99 -11.060 -1.728 3.041 1.00 32.43 C ATOM 1604 C LYS A 99 -11.230 -0.833 4.291 1.00 51.23 C ATOM 1605 O LYS A 99 -10.803 -1.206 5.385 1.00 0.53 O ATOM 1606 CB LYS A 99 -9.737 -1.407 2.269 1.00 73.34 C ATOM 1607 CG LYS A 99 -9.171 -2.570 1.399 1.00 2.40 C ATOM 1608 CD LYS A 99 -10.076 -2.952 0.209 1.00 23.30 C ATOM 1609 CE LYS A 99 -9.565 -4.167 -0.579 1.00 10.33 C ATOM 1610 NZ LYS A 99 -10.526 -4.569 -1.641 1.00 54.23 N ATOM 0 H LYS A 99 -12.032 -1.133 1.276 1.00 74.52 H new ATOM 0 HA LYS A 99 -10.990 -2.759 3.386 1.00 32.43 H new ATOM 0 HB2 LYS A 99 -9.912 -0.546 1.624 1.00 73.34 H new ATOM 0 HB3 LYS A 99 -8.976 -1.114 2.992 1.00 73.34 H new ATOM 0 HG2 LYS A 99 -8.190 -2.284 1.021 1.00 2.40 H new ATOM 0 HG3 LYS A 99 -9.026 -3.447 2.030 1.00 2.40 H new ATOM 0 HD2 LYS A 99 -11.080 -3.163 0.578 1.00 23.30 H new ATOM 0 HD3 LYS A 99 -10.157 -2.099 -0.465 1.00 23.30 H new ATOM 0 HE2 LYS A 99 -8.601 -3.931 -1.029 1.00 10.33 H new ATOM 0 HE3 LYS A 99 -9.403 -5.002 0.102 1.00 10.33 H new ATOM 0 HZ1 LYS A 99 -10.374 -5.568 -1.886 1.00 54.23 H new ATOM 0 HZ2 LYS A 99 -11.499 -4.441 -1.296 1.00 54.23 H new ATOM 0 HZ3 LYS A 99 -10.378 -3.979 -2.485 1.00 54.23 H new ATOM 1624 N LYS A 100 -11.904 0.319 4.121 1.00 4.41 N ATOM 1625 CA LYS A 100 -12.190 1.258 5.227 1.00 55.12 C ATOM 1626 C LYS A 100 -13.127 0.612 6.271 1.00 1.23 C ATOM 1627 O LYS A 100 -12.918 0.765 7.474 1.00 63.40 O ATOM 1628 CB LYS A 100 -12.807 2.563 4.672 1.00 23.12 C ATOM 1629 CG LYS A 100 -13.009 3.691 5.697 1.00 33.31 C ATOM 1630 CD LYS A 100 -13.679 4.937 5.071 1.00 23.43 C ATOM 1631 CE LYS A 100 -13.941 6.042 6.104 1.00 21.34 C ATOM 1632 NZ LYS A 100 -14.795 5.571 7.230 1.00 71.23 N ATOM 0 H LYS A 100 -12.265 0.626 3.218 1.00 4.41 H new ATOM 0 HA LYS A 100 -11.251 1.500 5.725 1.00 55.12 H new ATOM 0 HB2 LYS A 100 -12.167 2.934 3.871 1.00 23.12 H new ATOM 0 HB3 LYS A 100 -13.772 2.326 4.225 1.00 23.12 H new ATOM 0 HG2 LYS A 100 -13.623 3.326 6.520 1.00 33.31 H new ATOM 0 HG3 LYS A 100 -12.044 3.973 6.119 1.00 33.31 H new ATOM 0 HD2 LYS A 100 -13.042 5.329 4.278 1.00 23.43 H new ATOM 0 HD3 LYS A 100 -14.622 4.645 4.608 1.00 23.43 H new ATOM 0 HE2 LYS A 100 -12.990 6.401 6.498 1.00 21.34 H new ATOM 0 HE3 LYS A 100 -14.423 6.888 5.614 1.00 21.34 H new ATOM 0 HZ1 LYS A 100 -15.113 6.388 7.790 1.00 71.23 H new ATOM 0 HZ2 LYS A 100 -15.623 5.068 6.851 1.00 71.23 H new ATOM 0 HZ3 LYS A 100 -14.247 4.928 7.836 1.00 71.23 H new ATOM 1646 N LYS A 101 -14.128 -0.144 5.787 1.00 73.43 N ATOM 1647 CA LYS A 101 -15.091 -0.879 6.647 1.00 73.32 C ATOM 1648 C LYS A 101 -14.435 -2.093 7.329 1.00 1.02 C ATOM 1649 O LYS A 101 -14.943 -2.585 8.337 1.00 10.41 O ATOM 1650 CB LYS A 101 -16.333 -1.310 5.819 1.00 75.41 C ATOM 1651 CG LYS A 101 -17.183 -0.119 5.323 1.00 44.23 C ATOM 1652 CD LYS A 101 -18.257 -0.525 4.289 1.00 41.03 C ATOM 1653 CE LYS A 101 -18.926 0.698 3.639 1.00 12.12 C ATOM 1654 NZ LYS A 101 -19.920 0.302 2.606 1.00 62.44 N ATOM 0 H LYS A 101 -14.298 -0.267 4.789 1.00 73.43 H new ATOM 0 HA LYS A 101 -15.416 -0.203 7.438 1.00 73.32 H new ATOM 0 HB2 LYS A 101 -16.003 -1.894 4.960 1.00 75.41 H new ATOM 0 HB3 LYS A 101 -16.957 -1.964 6.428 1.00 75.41 H new ATOM 0 HG2 LYS A 101 -17.670 0.352 6.177 1.00 44.23 H new ATOM 0 HG3 LYS A 101 -16.525 0.628 4.879 1.00 44.23 H new ATOM 0 HD2 LYS A 101 -17.800 -1.142 3.515 1.00 41.03 H new ATOM 0 HD3 LYS A 101 -19.016 -1.137 4.777 1.00 41.03 H new ATOM 0 HE2 LYS A 101 -19.419 1.294 4.408 1.00 12.12 H new ATOM 0 HE3 LYS A 101 -18.163 1.331 3.185 1.00 12.12 H new ATOM 0 HZ1 LYS A 101 -20.348 1.154 2.192 1.00 62.44 H new ATOM 0 HZ2 LYS A 101 -19.446 -0.245 1.859 1.00 62.44 H new ATOM 0 HZ3 LYS A 101 -20.662 -0.281 3.044 1.00 62.44 H new ATOM 1668 N LYS A 102 -13.310 -2.572 6.771 1.00 15.25 N ATOM 1669 CA LYS A 102 -12.482 -3.629 7.397 1.00 45.24 C ATOM 1670 C LYS A 102 -11.545 -3.025 8.474 1.00 3.42 C ATOM 1671 O LYS A 102 -10.916 -3.763 9.239 1.00 24.15 O ATOM 1672 CB LYS A 102 -11.655 -4.362 6.313 1.00 14.22 C ATOM 1673 CG LYS A 102 -12.484 -4.957 5.150 1.00 12.23 C ATOM 1674 CD LYS A 102 -11.617 -5.607 4.042 1.00 50.30 C ATOM 1675 CE LYS A 102 -10.962 -6.918 4.502 1.00 24.32 C ATOM 1676 NZ LYS A 102 -11.987 -7.924 4.872 1.00 14.22 N ATOM 0 H LYS A 102 -12.946 -2.242 5.877 1.00 15.25 H new ATOM 0 HA LYS A 102 -13.142 -4.346 7.885 1.00 45.24 H new ATOM 0 HB2 LYS A 102 -10.926 -3.665 5.900 1.00 14.22 H new ATOM 0 HB3 LYS A 102 -11.093 -5.166 6.788 1.00 14.22 H new ATOM 0 HG2 LYS A 102 -13.170 -5.704 5.549 1.00 12.23 H new ATOM 0 HG3 LYS A 102 -13.093 -4.169 4.708 1.00 12.23 H new ATOM 0 HD2 LYS A 102 -12.237 -5.802 3.167 1.00 50.30 H new ATOM 0 HD3 LYS A 102 -10.842 -4.906 3.733 1.00 50.30 H new ATOM 0 HE2 LYS A 102 -10.331 -7.312 3.705 1.00 24.32 H new ATOM 0 HE3 LYS A 102 -10.313 -6.724 5.356 1.00 24.32 H new ATOM 0 HZ1 LYS A 102 -11.549 -8.866 4.916 1.00 14.22 H new ATOM 0 HZ2 LYS A 102 -12.388 -7.685 5.801 1.00 14.22 H new ATOM 0 HZ3 LYS A 102 -12.744 -7.927 4.159 1.00 14.22 H new ATOM 1690 N GLY A 103 -11.449 -1.674 8.494 1.00 70.42 N ATOM 1691 CA GLY A 103 -10.717 -0.933 9.530 1.00 41.22 C ATOM 1692 C GLY A 103 -9.373 -0.401 9.049 1.00 50.33 C ATOM 1693 O GLY A 103 -8.466 -0.186 9.861 1.00 32.02 O ATOM 0 H GLY A 103 -11.879 -1.075 7.790 1.00 70.42 H new ATOM 0 HA2 GLY A 103 -11.329 -0.099 9.873 1.00 41.22 H new ATOM 0 HA3 GLY A 103 -10.557 -1.584 10.389 1.00 41.22 H new ATOM 1697 N TYR A 104 -9.236 -0.192 7.724 1.00 22.11 N ATOM 1698 CA TYR A 104 -7.974 0.272 7.100 1.00 24.31 C ATOM 1699 C TYR A 104 -8.143 1.733 6.657 1.00 23.32 C ATOM 1700 O TYR A 104 -9.220 2.113 6.184 1.00 70.34 O ATOM 1701 CB TYR A 104 -7.595 -0.627 5.879 1.00 71.51 C ATOM 1702 CG TYR A 104 -7.724 -2.149 6.121 1.00 73.34 C ATOM 1703 CD1 TYR A 104 -7.423 -2.730 7.354 1.00 35.24 C ATOM 1704 CD2 TYR A 104 -8.187 -3.000 5.120 1.00 4.32 C ATOM 1705 CE1 TYR A 104 -7.572 -4.080 7.563 1.00 65.14 C ATOM 1706 CE2 TYR A 104 -8.349 -4.349 5.339 1.00 71.31 C ATOM 1707 CZ TYR A 104 -8.041 -4.883 6.560 1.00 73.44 C ATOM 1708 OH TYR A 104 -8.227 -6.227 6.789 1.00 60.03 O ATOM 0 H TYR A 104 -9.993 -0.339 7.056 1.00 22.11 H new ATOM 0 HA TYR A 104 -7.166 0.201 7.829 1.00 24.31 H new ATOM 0 HB2 TYR A 104 -8.229 -0.354 5.036 1.00 71.51 H new ATOM 0 HB3 TYR A 104 -6.567 -0.406 5.590 1.00 71.51 H new ATOM 0 HD1 TYR A 104 -7.066 -2.106 8.160 1.00 35.24 H new ATOM 0 HD2 TYR A 104 -8.424 -2.591 4.149 1.00 4.32 H new ATOM 0 HE1 TYR A 104 -7.318 -4.508 8.522 1.00 65.14 H new ATOM 0 HE2 TYR A 104 -8.719 -4.985 4.548 1.00 71.31 H new ATOM 0 HH TYR A 104 -8.449 -6.370 7.733 1.00 60.03 H new ATOM 1718 N ASP A 105 -7.092 2.552 6.826 1.00 50.42 N ATOM 1719 CA ASP A 105 -7.112 3.972 6.421 1.00 2.42 C ATOM 1720 C ASP A 105 -6.831 4.063 4.924 1.00 51.13 C ATOM 1721 O ASP A 105 -5.681 3.913 4.495 1.00 41.31 O ATOM 1722 CB ASP A 105 -6.056 4.789 7.202 1.00 13.20 C ATOM 1723 CG ASP A 105 -6.204 4.669 8.722 1.00 73.02 C ATOM 1724 OD1 ASP A 105 -7.166 5.215 9.284 1.00 52.34 O ATOM 1725 OD2 ASP A 105 -5.352 4.036 9.364 1.00 55.44 O ATOM 0 H ASP A 105 -6.210 2.254 7.243 1.00 50.42 H new ATOM 0 HA ASP A 105 -8.094 4.389 6.646 1.00 2.42 H new ATOM 0 HB2 ASP A 105 -5.060 4.454 6.913 1.00 13.20 H new ATOM 0 HB3 ASP A 105 -6.134 5.838 6.917 1.00 13.20 H new ATOM 1730 N VAL A 106 -7.885 4.289 4.131 1.00 45.40 N ATOM 1731 CA VAL A 106 -7.782 4.296 2.668 1.00 20.11 C ATOM 1732 C VAL A 106 -7.750 5.738 2.129 1.00 61.43 C ATOM 1733 O VAL A 106 -8.587 6.565 2.499 1.00 11.20 O ATOM 1734 CB VAL A 106 -8.948 3.487 1.984 1.00 2.04 C ATOM 1735 CG1 VAL A 106 -8.666 3.305 0.465 1.00 72.41 C ATOM 1736 CG2 VAL A 106 -9.167 2.126 2.685 1.00 40.34 C ATOM 0 H VAL A 106 -8.825 4.471 4.482 1.00 45.40 H new ATOM 0 HA VAL A 106 -6.845 3.800 2.415 1.00 20.11 H new ATOM 0 HB VAL A 106 -9.870 4.059 2.089 1.00 2.04 H new ATOM 0 HG11 VAL A 106 -9.481 2.744 0.008 1.00 72.41 H new ATOM 0 HG12 VAL A 106 -8.587 4.283 -0.010 1.00 72.41 H new ATOM 0 HG13 VAL A 106 -7.731 2.760 0.331 1.00 72.41 H new ATOM 0 HG21 VAL A 106 -9.978 1.589 2.192 1.00 40.34 H new ATOM 0 HG22 VAL A 106 -8.253 1.536 2.627 1.00 40.34 H new ATOM 0 HG23 VAL A 106 -9.425 2.293 3.731 1.00 40.34 H new ATOM 1746 N TYR A 107 -6.749 6.028 1.277 1.00 25.35 N ATOM 1747 CA TYR A 107 -6.655 7.273 0.506 1.00 61.30 C ATOM 1748 C TYR A 107 -7.057 7.001 -0.954 1.00 63.51 C ATOM 1749 O TYR A 107 -6.719 5.953 -1.524 1.00 3.25 O ATOM 1750 CB TYR A 107 -5.212 7.839 0.561 1.00 13.13 C ATOM 1751 CG TYR A 107 -4.774 8.293 1.964 1.00 23.00 C ATOM 1752 CD1 TYR A 107 -5.290 9.465 2.527 1.00 40.22 C ATOM 1753 CD2 TYR A 107 -3.848 7.566 2.720 1.00 24.12 C ATOM 1754 CE1 TYR A 107 -4.896 9.896 3.780 1.00 25.13 C ATOM 1755 CE2 TYR A 107 -3.454 7.993 3.979 1.00 1.42 C ATOM 1756 CZ TYR A 107 -3.980 9.158 4.504 1.00 0.22 C ATOM 1757 OH TYR A 107 -3.582 9.593 5.754 1.00 71.32 O ATOM 0 H TYR A 107 -5.972 5.390 1.105 1.00 25.35 H new ATOM 0 HA TYR A 107 -7.331 8.010 0.939 1.00 61.30 H new ATOM 0 HB2 TYR A 107 -4.519 7.077 0.204 1.00 13.13 H new ATOM 0 HB3 TYR A 107 -5.137 8.684 -0.124 1.00 13.13 H new ATOM 0 HD1 TYR A 107 -6.011 10.045 1.971 1.00 40.22 H new ATOM 0 HD2 TYR A 107 -3.432 6.655 2.315 1.00 24.12 H new ATOM 0 HE1 TYR A 107 -5.303 10.808 4.192 1.00 25.13 H new ATOM 0 HE2 TYR A 107 -2.739 7.417 4.547 1.00 1.42 H new ATOM 0 HH TYR A 107 -4.312 10.095 6.174 1.00 71.32 H new ATOM 1767 N THR A 108 -7.784 7.956 -1.533 1.00 2.52 N ATOM 1768 CA THR A 108 -8.178 7.963 -2.946 1.00 22.40 C ATOM 1769 C THR A 108 -7.380 9.057 -3.678 1.00 63.22 C ATOM 1770 O THR A 108 -7.136 10.127 -3.110 1.00 70.32 O ATOM 1771 CB THR A 108 -9.714 8.242 -3.068 1.00 12.32 C ATOM 1772 OG1 THR A 108 -10.065 9.381 -2.258 1.00 53.32 O ATOM 1773 CG2 THR A 108 -10.561 7.031 -2.634 1.00 61.20 C ATOM 0 H THR A 108 -8.126 8.769 -1.021 1.00 2.52 H new ATOM 0 HA THR A 108 -7.965 6.993 -3.396 1.00 22.40 H new ATOM 0 HB THR A 108 -9.928 8.440 -4.118 1.00 12.32 H new ATOM 0 HG1 THR A 108 -11.026 9.555 -2.337 1.00 53.32 H new ATOM 0 HG21 THR A 108 -11.619 7.272 -2.736 1.00 61.20 H new ATOM 0 HG22 THR A 108 -10.321 6.175 -3.264 1.00 61.20 H new ATOM 0 HG23 THR A 108 -10.343 6.788 -1.594 1.00 61.20 H new ATOM 1781 N SER A 109 -6.970 8.784 -4.924 1.00 33.00 N ATOM 1782 CA SER A 109 -6.168 9.720 -5.738 1.00 70.34 C ATOM 1783 C SER A 109 -6.832 9.941 -7.102 1.00 22.30 C ATOM 1784 O SER A 109 -7.901 9.403 -7.365 1.00 22.30 O ATOM 1785 CB SER A 109 -4.739 9.154 -5.895 1.00 33.54 C ATOM 1786 OG SER A 109 -4.736 7.907 -6.535 1.00 10.20 O ATOM 0 H SER A 109 -7.183 7.908 -5.401 1.00 33.00 H new ATOM 0 HA SER A 109 -6.110 10.688 -5.240 1.00 70.34 H new ATOM 0 HB2 SER A 109 -4.132 9.856 -6.466 1.00 33.54 H new ATOM 0 HB3 SER A 109 -4.277 9.058 -4.912 1.00 33.54 H new ATOM 0 HG SER A 109 -5.192 7.248 -5.970 1.00 10.20 H new ATOM 1792 N ARG A 110 -6.232 10.793 -7.947 1.00 31.01 N ATOM 1793 CA ARG A 110 -6.647 10.944 -9.363 1.00 64.21 C ATOM 1794 C ARG A 110 -5.601 10.319 -10.286 1.00 11.52 C ATOM 1795 O ARG A 110 -5.932 9.872 -11.389 1.00 32.33 O ATOM 1796 CB ARG A 110 -6.889 12.435 -9.722 1.00 44.43 C ATOM 1797 CG ARG A 110 -8.025 13.094 -8.909 1.00 32.20 C ATOM 1798 CD ARG A 110 -9.383 12.387 -9.106 1.00 33.32 C ATOM 1799 NE ARG A 110 -10.410 12.914 -8.197 1.00 55.44 N ATOM 1800 CZ ARG A 110 -10.875 12.288 -7.108 1.00 52.50 C ATOM 1801 NH1 ARG A 110 -10.421 11.086 -6.766 1.00 52.40 N ATOM 1802 NH2 ARG A 110 -11.776 12.885 -6.345 1.00 65.32 N ATOM 0 H ARG A 110 -5.453 11.394 -7.679 1.00 31.01 H new ATOM 0 HA ARG A 110 -7.592 10.418 -9.503 1.00 64.21 H new ATOM 0 HB2 ARG A 110 -5.967 12.993 -9.559 1.00 44.43 H new ATOM 0 HB3 ARG A 110 -7.123 12.510 -10.784 1.00 44.43 H new ATOM 0 HG2 ARG A 110 -7.764 13.082 -7.851 1.00 32.20 H new ATOM 0 HG3 ARG A 110 -8.118 14.140 -9.203 1.00 32.20 H new ATOM 0 HD2 ARG A 110 -9.712 12.513 -10.138 1.00 33.32 H new ATOM 0 HD3 ARG A 110 -9.263 11.317 -8.938 1.00 33.32 H new ATOM 0 HE ARG A 110 -10.801 13.831 -8.413 1.00 55.44 H new ATOM 0 HH11 ARG A 110 -9.709 10.629 -7.336 1.00 52.40 H new ATOM 0 HH12 ARG A 110 -10.784 10.621 -5.934 1.00 52.40 H new ATOM 0 HH21 ARG A 110 -12.113 13.817 -6.587 1.00 65.32 H new ATOM 0 HH22 ARG A 110 -12.134 12.413 -5.514 1.00 65.32 H new ATOM 1816 N ASN A 111 -4.339 10.311 -9.825 1.00 22.53 N ATOM 1817 CA ASN A 111 -3.222 9.644 -10.526 1.00 73.34 C ATOM 1818 C ASN A 111 -1.996 9.592 -9.588 1.00 13.31 C ATOM 1819 O ASN A 111 -2.143 9.778 -8.371 1.00 61.43 O ATOM 1820 CB ASN A 111 -2.910 10.368 -11.887 1.00 24.31 C ATOM 1821 CG ASN A 111 -2.075 11.651 -11.776 1.00 61.01 C ATOM 1822 OD1 ASN A 111 -0.857 11.622 -11.946 1.00 71.21 O ATOM 1823 ND2 ASN A 111 -2.700 12.760 -11.438 1.00 22.41 N ATOM 0 H ASN A 111 -4.061 10.766 -8.955 1.00 22.53 H new ATOM 0 HA ASN A 111 -3.498 8.620 -10.778 1.00 73.34 H new ATOM 0 HB2 ASN A 111 -2.386 9.669 -12.539 1.00 24.31 H new ATOM 0 HB3 ASN A 111 -3.854 10.611 -12.374 1.00 24.31 H new ATOM 0 HD21 ASN A 111 -2.173 13.624 -11.311 1.00 22.41 H new ATOM 0 HD22 ASN A 111 -3.711 12.755 -11.304 1.00 22.41 H new ATOM 1830 N GLU A 112 -0.807 9.339 -10.182 1.00 22.40 N ATOM 1831 CA GLU A 112 0.491 9.271 -9.491 1.00 44.32 C ATOM 1832 C GLU A 112 0.774 10.529 -8.637 1.00 32.54 C ATOM 1833 O GLU A 112 1.360 10.398 -7.564 1.00 72.44 O ATOM 1834 CB GLU A 112 1.609 9.011 -10.562 1.00 44.33 C ATOM 1835 CG GLU A 112 3.088 9.160 -10.085 1.00 43.40 C ATOM 1836 CD GLU A 112 3.621 10.607 -10.190 1.00 73.40 C ATOM 1837 OE1 GLU A 112 3.777 11.104 -11.315 1.00 71.41 O ATOM 1838 OE2 GLU A 112 3.847 11.264 -9.163 1.00 52.14 O ATOM 0 H GLU A 112 -0.728 9.172 -11.185 1.00 22.40 H new ATOM 0 HA GLU A 112 0.475 8.446 -8.779 1.00 44.32 H new ATOM 0 HB2 GLU A 112 1.478 8.002 -10.952 1.00 44.33 H new ATOM 0 HB3 GLU A 112 1.449 9.697 -11.394 1.00 44.33 H new ATOM 0 HG2 GLU A 112 3.164 8.826 -9.050 1.00 43.40 H new ATOM 0 HG3 GLU A 112 3.722 8.502 -10.679 1.00 43.40 H new ATOM 1845 N ASP A 113 0.355 11.733 -9.115 1.00 52.14 N ATOM 1846 CA ASP A 113 0.553 13.019 -8.388 1.00 3.35 C ATOM 1847 C ASP A 113 0.003 12.957 -6.953 1.00 75.52 C ATOM 1848 O ASP A 113 0.702 13.281 -5.982 1.00 51.42 O ATOM 1849 CB ASP A 113 -0.140 14.202 -9.128 1.00 13.44 C ATOM 1850 CG ASP A 113 0.549 14.619 -10.430 1.00 63.14 C ATOM 1851 OD1 ASP A 113 1.649 15.197 -10.362 1.00 33.33 O ATOM 1852 OD2 ASP A 113 -0.002 14.394 -11.521 1.00 72.00 O ATOM 0 H ASP A 113 -0.126 11.840 -10.008 1.00 52.14 H new ATOM 0 HA ASP A 113 1.630 13.185 -8.354 1.00 3.35 H new ATOM 0 HB2 ASP A 113 -1.171 13.924 -9.349 1.00 13.44 H new ATOM 0 HB3 ASP A 113 -0.178 15.062 -8.459 1.00 13.44 H new ATOM 1857 N GLU A 114 -1.265 12.536 -6.845 1.00 2.22 N ATOM 1858 CA GLU A 114 -1.970 12.426 -5.563 1.00 51.44 C ATOM 1859 C GLU A 114 -1.465 11.214 -4.789 1.00 75.51 C ATOM 1860 O GLU A 114 -1.295 11.295 -3.580 1.00 70.52 O ATOM 1861 CB GLU A 114 -3.499 12.342 -5.775 1.00 0.43 C ATOM 1862 CG GLU A 114 -4.167 13.631 -6.284 1.00 75.51 C ATOM 1863 CD GLU A 114 -3.721 14.044 -7.696 1.00 32.24 C ATOM 1864 OE1 GLU A 114 -3.790 13.199 -8.615 1.00 21.15 O ATOM 1865 OE2 GLU A 114 -3.272 15.196 -7.885 1.00 1.31 O ATOM 0 H GLU A 114 -1.831 12.262 -7.648 1.00 2.22 H new ATOM 0 HA GLU A 114 -1.765 13.324 -4.980 1.00 51.44 H new ATOM 0 HB2 GLU A 114 -3.707 11.541 -6.484 1.00 0.43 H new ATOM 0 HB3 GLU A 114 -3.965 12.060 -4.831 1.00 0.43 H new ATOM 0 HG2 GLU A 114 -5.248 13.495 -6.280 1.00 75.51 H new ATOM 0 HG3 GLU A 114 -3.945 14.442 -5.591 1.00 75.51 H new ATOM 1872 N ALA A 115 -1.183 10.122 -5.521 1.00 41.20 N ATOM 1873 CA ALA A 115 -0.659 8.868 -4.949 1.00 15.12 C ATOM 1874 C ALA A 115 0.650 9.108 -4.183 1.00 71.53 C ATOM 1875 O ALA A 115 0.846 8.546 -3.119 1.00 5.13 O ATOM 1876 CB ALA A 115 -0.424 7.835 -6.052 1.00 1.21 C ATOM 0 H ALA A 115 -1.313 10.084 -6.532 1.00 41.20 H new ATOM 0 HA ALA A 115 -1.404 8.489 -4.250 1.00 15.12 H new ATOM 0 HB1 ALA A 115 -0.037 6.915 -5.613 1.00 1.21 H new ATOM 0 HB2 ALA A 115 -1.365 7.626 -6.561 1.00 1.21 H new ATOM 0 HB3 ALA A 115 0.298 8.226 -6.769 1.00 1.21 H new ATOM 1882 N LYS A 116 1.497 9.991 -4.744 1.00 42.11 N ATOM 1883 CA LYS A 116 2.844 10.289 -4.234 1.00 50.21 C ATOM 1884 C LYS A 116 2.788 11.104 -2.928 1.00 45.32 C ATOM 1885 O LYS A 116 3.473 10.765 -1.955 1.00 13.25 O ATOM 1886 CB LYS A 116 3.654 11.042 -5.324 1.00 21.31 C ATOM 1887 CG LYS A 116 5.086 11.456 -4.905 1.00 41.03 C ATOM 1888 CD LYS A 116 5.904 12.026 -6.088 1.00 13.20 C ATOM 1889 CE LYS A 116 6.238 10.952 -7.144 1.00 0.34 C ATOM 1890 NZ LYS A 116 6.786 11.537 -8.394 1.00 34.42 N ATOM 0 H LYS A 116 1.258 10.526 -5.579 1.00 42.11 H new ATOM 0 HA LYS A 116 3.343 9.348 -4.001 1.00 50.21 H new ATOM 0 HB2 LYS A 116 3.719 10.409 -6.209 1.00 21.31 H new ATOM 0 HB3 LYS A 116 3.103 11.937 -5.612 1.00 21.31 H new ATOM 0 HG2 LYS A 116 5.029 12.203 -4.113 1.00 41.03 H new ATOM 0 HG3 LYS A 116 5.605 10.592 -4.491 1.00 41.03 H new ATOM 0 HD2 LYS A 116 5.342 12.833 -6.559 1.00 13.20 H new ATOM 0 HD3 LYS A 116 6.830 12.460 -5.710 1.00 13.20 H new ATOM 0 HE2 LYS A 116 6.960 10.250 -6.728 1.00 0.34 H new ATOM 0 HE3 LYS A 116 5.338 10.383 -7.377 1.00 0.34 H new ATOM 0 HZ1 LYS A 116 7.488 10.888 -8.803 1.00 34.42 H new ATOM 0 HZ2 LYS A 116 6.014 11.686 -9.075 1.00 34.42 H new ATOM 0 HZ3 LYS A 116 7.240 12.448 -8.181 1.00 34.42 H new ATOM 1904 N LYS A 117 1.959 12.174 -2.903 1.00 34.45 N ATOM 1905 CA LYS A 117 1.821 13.031 -1.702 1.00 5.34 C ATOM 1906 C LYS A 117 1.031 12.312 -0.592 1.00 54.23 C ATOM 1907 O LYS A 117 1.313 12.514 0.588 1.00 51.30 O ATOM 1908 CB LYS A 117 1.232 14.434 -2.036 1.00 42.24 C ATOM 1909 CG LYS A 117 -0.072 14.468 -2.872 1.00 72.31 C ATOM 1910 CD LYS A 117 -0.593 15.919 -3.079 1.00 72.51 C ATOM 1911 CE LYS A 117 -1.771 16.016 -4.069 1.00 74.30 C ATOM 1912 NZ LYS A 117 -1.347 15.765 -5.475 1.00 42.03 N ATOM 0 H LYS A 117 1.381 12.462 -3.692 1.00 34.45 H new ATOM 0 HA LYS A 117 2.825 13.213 -1.319 1.00 5.34 H new ATOM 0 HB2 LYS A 117 1.046 14.956 -1.097 1.00 42.24 H new ATOM 0 HB3 LYS A 117 1.993 15.002 -2.571 1.00 42.24 H new ATOM 0 HG2 LYS A 117 0.107 14.005 -3.842 1.00 72.31 H new ATOM 0 HG3 LYS A 117 -0.838 13.875 -2.373 1.00 72.31 H new ATOM 0 HD2 LYS A 117 -0.904 16.325 -2.117 1.00 72.51 H new ATOM 0 HD3 LYS A 117 0.226 16.542 -3.439 1.00 72.51 H new ATOM 0 HE2 LYS A 117 -2.539 15.295 -3.789 1.00 74.30 H new ATOM 0 HE3 LYS A 117 -2.222 17.006 -3.999 1.00 74.30 H new ATOM 0 HZ1 LYS A 117 -2.167 15.456 -6.035 1.00 42.03 H new ATOM 0 HZ2 LYS A 117 -0.960 16.640 -5.882 1.00 42.03 H new ATOM 0 HZ3 LYS A 117 -0.618 15.024 -5.491 1.00 42.03 H new ATOM 1926 N LYS A 118 0.071 11.446 -0.983 1.00 73.05 N ATOM 1927 CA LYS A 118 -0.687 10.593 -0.033 1.00 52.43 C ATOM 1928 C LYS A 118 0.191 9.459 0.507 1.00 12.01 C ATOM 1929 O LYS A 118 -0.036 8.979 1.619 1.00 71.02 O ATOM 1930 CB LYS A 118 -1.977 10.011 -0.684 1.00 20.11 C ATOM 1931 CG LYS A 118 -3.047 11.072 -1.014 1.00 73.02 C ATOM 1932 CD LYS A 118 -3.504 11.838 0.244 1.00 51.14 C ATOM 1933 CE LYS A 118 -4.439 13.008 -0.065 1.00 24.40 C ATOM 1934 NZ LYS A 118 -4.762 13.765 1.171 1.00 40.11 N ATOM 0 H LYS A 118 -0.201 11.317 -1.957 1.00 73.05 H new ATOM 0 HA LYS A 118 -0.988 11.229 0.799 1.00 52.43 H new ATOM 0 HB2 LYS A 118 -1.705 9.487 -1.600 1.00 20.11 H new ATOM 0 HB3 LYS A 118 -2.409 9.271 -0.011 1.00 20.11 H new ATOM 0 HG2 LYS A 118 -2.647 11.777 -1.743 1.00 73.02 H new ATOM 0 HG3 LYS A 118 -3.907 10.588 -1.477 1.00 73.02 H new ATOM 0 HD2 LYS A 118 -4.010 11.146 0.918 1.00 51.14 H new ATOM 0 HD3 LYS A 118 -2.627 12.213 0.771 1.00 51.14 H new ATOM 0 HE2 LYS A 118 -3.970 13.672 -0.792 1.00 24.40 H new ATOM 0 HE3 LYS A 118 -5.357 12.636 -0.519 1.00 24.40 H new ATOM 0 HZ1 LYS A 118 -5.299 14.621 0.924 1.00 40.11 H new ATOM 0 HZ2 LYS A 118 -5.333 13.169 1.804 1.00 40.11 H new ATOM 0 HZ3 LYS A 118 -3.881 14.036 1.652 1.00 40.11 H new ATOM 1948 N LEU A 119 1.181 9.038 -0.303 1.00 75.02 N ATOM 1949 CA LEU A 119 2.172 8.018 0.080 1.00 20.25 C ATOM 1950 C LEU A 119 3.109 8.581 1.150 1.00 61.10 C ATOM 1951 O LEU A 119 3.453 7.889 2.108 1.00 10.51 O ATOM 1952 CB LEU A 119 2.966 7.546 -1.166 1.00 72.12 C ATOM 1953 CG LEU A 119 3.975 6.370 -0.975 1.00 50.44 C ATOM 1954 CD1 LEU A 119 3.332 5.181 -0.226 1.00 74.40 C ATOM 1955 CD2 LEU A 119 4.545 5.931 -2.347 1.00 74.24 C ATOM 0 H LEU A 119 1.315 9.399 -1.247 1.00 75.02 H new ATOM 0 HA LEU A 119 1.656 7.153 0.496 1.00 20.25 H new ATOM 0 HB2 LEU A 119 2.248 7.252 -1.931 1.00 72.12 H new ATOM 0 HB3 LEU A 119 3.517 8.401 -1.558 1.00 72.12 H new ATOM 0 HG LEU A 119 4.798 6.725 -0.355 1.00 50.44 H new ATOM 0 HD11 LEU A 119 4.066 4.383 -0.113 1.00 74.40 H new ATOM 0 HD12 LEU A 119 2.998 5.509 0.758 1.00 74.40 H new ATOM 0 HD13 LEU A 119 2.479 4.811 -0.795 1.00 74.40 H new ATOM 0 HD21 LEU A 119 5.248 5.110 -2.203 1.00 74.24 H new ATOM 0 HD22 LEU A 119 3.730 5.602 -2.991 1.00 74.24 H new ATOM 0 HD23 LEU A 119 5.059 6.771 -2.813 1.00 74.24 H new ATOM 1967 N LYS A 120 3.488 9.859 0.979 1.00 24.02 N ATOM 1968 CA LYS A 120 4.284 10.600 1.968 1.00 71.51 C ATOM 1969 C LYS A 120 3.500 10.812 3.265 1.00 41.03 C ATOM 1970 O LYS A 120 4.052 10.640 4.344 1.00 12.23 O ATOM 1971 CB LYS A 120 4.742 11.957 1.407 1.00 5.25 C ATOM 1972 CG LYS A 120 5.773 11.837 0.285 1.00 24.55 C ATOM 1973 CD LYS A 120 6.308 13.213 -0.171 1.00 62.31 C ATOM 1974 CE LYS A 120 7.386 13.088 -1.247 1.00 42.50 C ATOM 1975 NZ LYS A 120 8.478 12.178 -0.818 1.00 25.43 N ATOM 0 H LYS A 120 3.250 10.406 0.151 1.00 24.02 H new ATOM 0 HA LYS A 120 5.165 9.998 2.189 1.00 71.51 H new ATOM 0 HB2 LYS A 120 3.873 12.499 1.034 1.00 5.25 H new ATOM 0 HB3 LYS A 120 5.165 12.552 2.217 1.00 5.25 H new ATOM 0 HG2 LYS A 120 6.605 11.221 0.624 1.00 24.55 H new ATOM 0 HG3 LYS A 120 5.323 11.325 -0.565 1.00 24.55 H new ATOM 0 HD2 LYS A 120 5.482 13.812 -0.555 1.00 62.31 H new ATOM 0 HD3 LYS A 120 6.716 13.745 0.689 1.00 62.31 H new ATOM 0 HE2 LYS A 120 6.940 12.714 -2.169 1.00 42.50 H new ATOM 0 HE3 LYS A 120 7.797 14.073 -1.468 1.00 42.50 H new ATOM 0 HZ1 LYS A 120 9.374 12.485 -1.247 1.00 25.43 H new ATOM 0 HZ2 LYS A 120 8.563 12.203 0.218 1.00 25.43 H new ATOM 0 HZ3 LYS A 120 8.262 11.208 -1.125 1.00 25.43 H new ATOM 1989 N GLU A 121 2.211 11.175 3.130 1.00 65.54 N ATOM 1990 CA GLU A 121 1.290 11.332 4.273 1.00 60.14 C ATOM 1991 C GLU A 121 1.073 9.996 4.997 1.00 51.44 C ATOM 1992 O GLU A 121 0.868 9.984 6.202 1.00 52.45 O ATOM 1993 CB GLU A 121 -0.067 11.944 3.831 1.00 1.50 C ATOM 1994 CG GLU A 121 0.035 13.407 3.348 1.00 13.13 C ATOM 1995 CD GLU A 121 -1.335 14.048 3.086 1.00 51.32 C ATOM 1996 OE1 GLU A 121 -1.998 14.454 4.060 1.00 74.12 O ATOM 1997 OE2 GLU A 121 -1.747 14.177 1.914 1.00 21.41 O ATOM 0 H GLU A 121 1.778 11.368 2.227 1.00 65.54 H new ATOM 0 HA GLU A 121 1.756 12.026 4.972 1.00 60.14 H new ATOM 0 HB2 GLU A 121 -0.485 11.335 3.029 1.00 1.50 H new ATOM 0 HB3 GLU A 121 -0.766 11.895 4.666 1.00 1.50 H new ATOM 0 HG2 GLU A 121 0.568 13.994 4.096 1.00 13.13 H new ATOM 0 HG3 GLU A 121 0.627 13.442 2.434 1.00 13.13 H new ATOM 2004 N ALA A 122 1.131 8.885 4.237 1.00 11.02 N ATOM 2005 CA ALA A 122 1.053 7.516 4.781 1.00 61.31 C ATOM 2006 C ALA A 122 2.323 7.165 5.573 1.00 4.42 C ATOM 2007 O ALA A 122 2.249 6.478 6.594 1.00 62.43 O ATOM 2008 CB ALA A 122 0.841 6.506 3.648 1.00 74.24 C ATOM 0 H ALA A 122 1.234 8.913 3.223 1.00 11.02 H new ATOM 0 HA ALA A 122 0.203 7.469 5.462 1.00 61.31 H new ATOM 0 HB1 ALA A 122 0.785 5.500 4.063 1.00 74.24 H new ATOM 0 HB2 ALA A 122 -0.088 6.735 3.126 1.00 74.24 H new ATOM 0 HB3 ALA A 122 1.675 6.564 2.948 1.00 74.24 H new ATOM 2014 N LEU A 123 3.480 7.652 5.077 1.00 62.23 N ATOM 2015 CA LEU A 123 4.799 7.457 5.716 1.00 21.34 C ATOM 2016 C LEU A 123 4.935 8.330 6.986 1.00 1.11 C ATOM 2017 O LEU A 123 5.596 7.942 7.956 1.00 65.14 O ATOM 2018 CB LEU A 123 5.932 7.736 4.672 1.00 2.34 C ATOM 2019 CG LEU A 123 6.029 6.678 3.514 1.00 60.05 C ATOM 2020 CD1 LEU A 123 7.011 7.113 2.402 1.00 23.13 C ATOM 2021 CD2 LEU A 123 6.382 5.273 4.067 1.00 33.31 C ATOM 0 H LEU A 123 3.525 8.196 4.215 1.00 62.23 H new ATOM 0 HA LEU A 123 4.894 6.422 6.045 1.00 21.34 H new ATOM 0 HB2 LEU A 123 5.770 8.721 4.234 1.00 2.34 H new ATOM 0 HB3 LEU A 123 6.888 7.773 5.194 1.00 2.34 H new ATOM 0 HG LEU A 123 5.043 6.618 3.053 1.00 60.05 H new ATOM 0 HD11 LEU A 123 7.043 6.349 1.625 1.00 23.13 H new ATOM 0 HD12 LEU A 123 6.677 8.056 1.970 1.00 23.13 H new ATOM 0 HD13 LEU A 123 8.007 7.241 2.826 1.00 23.13 H new ATOM 0 HD21 LEU A 123 6.442 4.562 3.243 1.00 33.31 H new ATOM 0 HD22 LEU A 123 7.342 5.315 4.581 1.00 33.31 H new ATOM 0 HD23 LEU A 123 5.610 4.953 4.767 1.00 33.31 H new ATOM 2033 N GLU A 124 4.292 9.501 6.960 1.00 33.33 N ATOM 2034 CA GLU A 124 4.208 10.421 8.110 1.00 14.33 C ATOM 2035 C GLU A 124 3.140 9.969 9.135 1.00 41.31 C ATOM 2036 O GLU A 124 3.234 10.294 10.326 1.00 41.42 O ATOM 2037 CB GLU A 124 3.945 11.852 7.614 1.00 4.34 C ATOM 2038 CG GLU A 124 5.090 12.442 6.756 1.00 74.25 C ATOM 2039 CD GLU A 124 4.721 13.792 6.142 1.00 55.23 C ATOM 2040 OE1 GLU A 124 3.841 13.814 5.256 1.00 52.43 O ATOM 2041 OE2 GLU A 124 5.282 14.834 6.551 1.00 24.40 O ATOM 0 H GLU A 124 3.807 9.846 6.131 1.00 33.33 H new ATOM 0 HA GLU A 124 5.164 10.403 8.633 1.00 14.33 H new ATOM 0 HB2 GLU A 124 3.026 11.859 7.029 1.00 4.34 H new ATOM 0 HB3 GLU A 124 3.780 12.499 8.475 1.00 4.34 H new ATOM 0 HG2 GLU A 124 5.981 12.558 7.374 1.00 74.25 H new ATOM 0 HG3 GLU A 124 5.343 11.741 5.961 1.00 74.25 H new ATOM 2048 N LYS A 125 2.108 9.254 8.648 1.00 55.41 N ATOM 2049 CA LYS A 125 1.035 8.677 9.489 1.00 74.10 C ATOM 2050 C LYS A 125 1.536 7.386 10.161 1.00 30.10 C ATOM 2051 O LYS A 125 1.050 6.992 11.229 1.00 61.15 O ATOM 2052 CB LYS A 125 -0.216 8.386 8.610 1.00 50.13 C ATOM 2053 CG LYS A 125 -1.512 8.081 9.386 1.00 30.53 C ATOM 2054 CD LYS A 125 -2.706 7.786 8.440 1.00 3.40 C ATOM 2055 CE LYS A 125 -4.052 7.701 9.176 1.00 73.24 C ATOM 2056 NZ LYS A 125 -4.079 6.617 10.193 1.00 62.40 N ATOM 0 H LYS A 125 1.992 9.058 7.654 1.00 55.41 H new ATOM 0 HA LYS A 125 0.759 9.388 10.268 1.00 74.10 H new ATOM 0 HB2 LYS A 125 -0.393 9.246 7.964 1.00 50.13 H new ATOM 0 HB3 LYS A 125 0.006 7.539 7.960 1.00 50.13 H new ATOM 0 HG2 LYS A 125 -1.349 7.225 10.040 1.00 30.53 H new ATOM 0 HG3 LYS A 125 -1.758 8.928 10.026 1.00 30.53 H new ATOM 0 HD2 LYS A 125 -2.762 8.567 7.681 1.00 3.40 H new ATOM 0 HD3 LYS A 125 -2.524 6.847 7.918 1.00 3.40 H new ATOM 0 HE2 LYS A 125 -4.258 8.655 9.661 1.00 73.24 H new ATOM 0 HE3 LYS A 125 -4.849 7.534 8.451 1.00 73.24 H new ATOM 0 HZ1 LYS A 125 -4.976 6.656 10.718 1.00 62.40 H new ATOM 0 HZ2 LYS A 125 -3.995 5.695 9.720 1.00 62.40 H new ATOM 0 HZ3 LYS A 125 -3.285 6.741 10.853 1.00 62.40 H new ATOM 2070 N SER A 126 2.512 6.730 9.504 1.00 24.21 N ATOM 2071 CA SER A 126 3.168 5.521 10.014 1.00 71.31 C ATOM 2072 C SER A 126 4.390 5.886 10.860 1.00 23.31 C ATOM 2073 O SER A 126 4.750 7.065 10.971 1.00 63.12 O ATOM 2074 CB SER A 126 3.587 4.617 8.833 1.00 63.44 C ATOM 2075 OG SER A 126 4.544 5.226 7.996 1.00 15.22 O ATOM 0 H SER A 126 2.867 7.031 8.596 1.00 24.21 H new ATOM 0 HA SER A 126 2.464 4.981 10.647 1.00 71.31 H new ATOM 0 HB2 SER A 126 3.992 3.683 9.222 1.00 63.44 H new ATOM 0 HB3 SER A 126 2.705 4.362 8.245 1.00 63.44 H new ATOM 0 HG SER A 126 4.697 6.148 8.291 1.00 15.22 H new ATOM 2081 N GLY A 127 5.042 4.860 11.442 1.00 4.40 N ATOM 2082 CA GLY A 127 6.277 5.042 12.205 1.00 21.24 C ATOM 2083 C GLY A 127 7.511 5.141 11.309 1.00 4.01 C ATOM 2084 O GLY A 127 8.414 4.295 11.382 1.00 21.42 O ATOM 0 H GLY A 127 4.724 3.892 11.393 1.00 4.40 H new ATOM 0 HA2 GLY A 127 6.197 5.946 12.809 1.00 21.24 H new ATOM 0 HA3 GLY A 127 6.400 4.208 12.895 1.00 21.24 H new ATOM 2088 N SER A 128 7.534 6.168 10.438 1.00 11.12 N ATOM 2089 CA SER A 128 8.699 6.507 9.598 1.00 11.22 C ATOM 2090 C SER A 128 9.083 7.956 9.909 1.00 63.41 C ATOM 2091 O SER A 128 10.124 8.229 10.515 1.00 25.23 O ATOM 2092 CB SER A 128 8.367 6.347 8.089 1.00 12.22 C ATOM 2093 OG SER A 128 7.676 5.154 7.843 1.00 21.31 O ATOM 0 H SER A 128 6.739 6.791 10.296 1.00 11.12 H new ATOM 0 HA SER A 128 9.526 5.832 9.817 1.00 11.22 H new ATOM 0 HB2 SER A 128 7.766 7.193 7.755 1.00 12.22 H new ATOM 0 HB3 SER A 128 9.289 6.362 7.508 1.00 12.22 H new ATOM 0 HG SER A 128 6.712 5.315 7.908 1.00 21.31 H new ATOM 2099 N LEU A 129 8.187 8.880 9.505 1.00 13.25 N ATOM 2100 CA LEU A 129 8.331 10.324 9.726 1.00 43.24 C ATOM 2101 C LEU A 129 7.243 10.792 10.691 1.00 4.10 C ATOM 2102 O LEU A 129 6.108 10.348 10.595 1.00 62.22 O ATOM 2103 CB LEU A 129 8.234 11.121 8.389 1.00 33.42 C ATOM 2104 CG LEU A 129 9.477 11.035 7.437 1.00 72.40 C ATOM 2105 CD1 LEU A 129 9.627 9.652 6.768 1.00 71.34 C ATOM 2106 CD2 LEU A 129 9.456 12.175 6.404 1.00 44.42 C ATOM 0 H LEU A 129 7.331 8.634 9.008 1.00 13.25 H new ATOM 0 HA LEU A 129 9.317 10.512 10.151 1.00 43.24 H new ATOM 0 HB2 LEU A 129 7.360 10.767 7.843 1.00 33.42 H new ATOM 0 HB3 LEU A 129 8.058 12.170 8.628 1.00 33.42 H new ATOM 0 HG LEU A 129 10.363 11.160 8.059 1.00 72.40 H new ATOM 0 HD11 LEU A 129 10.504 9.654 6.121 1.00 71.34 H new ATOM 0 HD12 LEU A 129 9.744 8.887 7.536 1.00 71.34 H new ATOM 0 HD13 LEU A 129 8.739 9.437 6.174 1.00 71.34 H new ATOM 0 HD21 LEU A 129 10.328 12.094 5.755 1.00 44.42 H new ATOM 0 HD22 LEU A 129 8.549 12.105 5.803 1.00 44.42 H new ATOM 0 HD23 LEU A 129 9.476 13.135 6.921 1.00 44.42 H new ATOM 2118 N GLU A 130 7.611 11.663 11.630 1.00 5.41 N ATOM 2119 CA GLU A 130 6.651 12.397 12.468 1.00 12.43 C ATOM 2120 C GLU A 130 6.243 13.654 11.688 1.00 30.31 C ATOM 2121 O GLU A 130 7.100 14.522 11.465 1.00 53.43 O ATOM 2122 CB GLU A 130 7.323 12.790 13.807 1.00 13.21 C ATOM 2123 CG GLU A 130 7.852 11.600 14.639 1.00 73.33 C ATOM 2124 CD GLU A 130 8.751 12.046 15.804 1.00 24.03 C ATOM 2125 OE1 GLU A 130 9.963 12.258 15.576 1.00 30.21 O ATOM 2126 OE2 GLU A 130 8.255 12.218 16.936 1.00 14.11 O ATOM 0 H GLU A 130 8.586 11.883 11.835 1.00 5.41 H new ATOM 0 HA GLU A 130 5.777 11.786 12.695 1.00 12.43 H new ATOM 0 HB2 GLU A 130 8.152 13.466 13.597 1.00 13.21 H new ATOM 0 HB3 GLU A 130 6.604 13.345 14.409 1.00 13.21 H new ATOM 0 HG2 GLU A 130 7.008 11.033 15.032 1.00 73.33 H new ATOM 0 HG3 GLU A 130 8.412 10.928 13.989 1.00 73.33 H new ATOM 2133 N HIS A 131 4.963 13.736 11.248 1.00 4.03 N ATOM 2134 CA HIS A 131 4.497 14.849 10.386 1.00 52.45 C ATOM 2135 C HIS A 131 4.649 16.200 11.115 1.00 62.25 C ATOM 2136 O HIS A 131 5.075 17.183 10.498 1.00 10.25 O ATOM 2137 CB HIS A 131 3.037 14.620 9.883 1.00 24.42 C ATOM 2138 CG HIS A 131 1.933 14.808 10.903 1.00 40.55 C ATOM 2139 ND1 HIS A 131 1.349 16.041 11.109 1.00 75.04 N ATOM 2140 CD2 HIS A 131 1.330 13.901 11.714 1.00 40.10 C ATOM 2141 CE1 HIS A 131 0.420 15.852 12.025 1.00 11.21 C ATOM 2142 NE2 HIS A 131 0.377 14.576 12.420 1.00 30.21 N ATOM 0 H HIS A 131 4.241 13.051 11.474 1.00 4.03 H new ATOM 0 HA HIS A 131 5.130 14.875 9.499 1.00 52.45 H new ATOM 0 HB2 HIS A 131 2.852 15.300 9.051 1.00 24.42 H new ATOM 0 HB3 HIS A 131 2.967 13.607 9.488 1.00 24.42 H new ATOM 0 HD2 HIS A 131 1.560 12.848 11.786 1.00 40.10 H new ATOM 0 HE1 HIS A 131 -0.224 16.630 12.408 1.00 11.21 H new ATOM 0 HE2 HIS A 131 -0.251 14.180 13.119 1.00 30.21 H new ATOM 2150 N HIS A 132 4.317 16.193 12.434 1.00 53.21 N ATOM 2151 CA HIS A 132 4.522 17.310 13.379 1.00 1.14 C ATOM 2152 C HIS A 132 4.029 18.661 12.818 1.00 24.13 C ATOM 2153 O HIS A 132 4.813 19.425 12.236 1.00 54.13 O ATOM 2154 CB HIS A 132 6.007 17.380 13.853 1.00 54.45 C ATOM 2155 CG HIS A 132 6.290 18.469 14.871 1.00 73.20 C ATOM 2156 ND1 HIS A 132 7.108 19.532 14.578 1.00 65.13 N ATOM 2157 CD2 HIS A 132 5.844 18.605 16.146 1.00 33.31 C ATOM 2158 CE1 HIS A 132 7.140 20.281 15.659 1.00 14.31 C ATOM 2159 NE2 HIS A 132 6.392 19.761 16.638 1.00 23.42 N ATOM 0 H HIS A 132 3.886 15.381 12.877 1.00 53.21 H new ATOM 0 HA HIS A 132 3.905 17.105 14.254 1.00 1.14 H new ATOM 0 HB2 HIS A 132 6.284 16.417 14.283 1.00 54.45 H new ATOM 0 HB3 HIS A 132 6.646 17.537 12.984 1.00 54.45 H new ATOM 0 HD2 HIS A 132 5.184 17.931 16.672 1.00 33.31 H new ATOM 0 HE1 HIS A 132 7.700 21.200 15.745 1.00 14.31 H new ATOM 0 HE2 HIS A 132 6.256 20.150 17.571 1.00 23.42 H new ATOM 2167 N HIS A 133 2.704 18.897 12.956 1.00 12.41 N ATOM 2168 CA HIS A 133 2.029 20.147 12.534 1.00 13.12 C ATOM 2169 C HIS A 133 2.156 20.359 11.005 1.00 62.32 C ATOM 2170 O HIS A 133 2.287 21.498 10.537 1.00 0.01 O ATOM 2171 CB HIS A 133 2.581 21.380 13.323 1.00 53.24 C ATOM 2172 CG HIS A 133 2.607 21.218 14.824 1.00 44.22 C ATOM 2173 ND1 HIS A 133 3.612 21.725 15.614 1.00 72.51 N ATOM 2174 CD2 HIS A 133 1.751 20.597 15.671 1.00 54.31 C ATOM 2175 CE1 HIS A 133 3.377 21.429 16.870 1.00 15.11 C ATOM 2176 NE2 HIS A 133 2.256 20.744 16.935 1.00 53.22 N ATOM 0 H HIS A 133 2.066 18.217 13.368 1.00 12.41 H new ATOM 0 HA HIS A 133 0.969 20.050 12.770 1.00 13.12 H new ATOM 0 HB2 HIS A 133 3.593 21.590 12.978 1.00 53.24 H new ATOM 0 HB3 HIS A 133 1.974 22.251 13.077 1.00 53.24 H new ATOM 0 HD2 HIS A 133 0.841 20.083 15.400 1.00 54.31 H new ATOM 0 HE1 HIS A 133 3.999 21.702 17.710 1.00 15.11 H new ATOM 0 HE2 HIS A 133 1.832 20.381 17.789 1.00 53.22 H new ATOM 2185 N HIS A 134 2.096 19.239 10.245 1.00 34.11 N ATOM 2186 CA HIS A 134 2.319 19.236 8.784 1.00 31.53 C ATOM 2187 C HIS A 134 1.189 19.997 8.070 1.00 13.14 C ATOM 2188 O HIS A 134 1.451 21.003 7.400 1.00 24.43 O ATOM 2189 CB HIS A 134 2.427 17.776 8.264 1.00 43.44 C ATOM 2190 CG HIS A 134 2.992 17.638 6.876 1.00 54.30 C ATOM 2191 ND1 HIS A 134 2.397 16.896 5.882 1.00 54.44 N ATOM 2192 CD2 HIS A 134 4.143 18.112 6.342 1.00 54.44 C ATOM 2193 CE1 HIS A 134 3.153 16.919 4.808 1.00 51.53 C ATOM 2194 NE2 HIS A 134 4.219 17.647 5.058 1.00 64.33 N ATOM 0 H HIS A 134 1.892 18.316 10.629 1.00 34.11 H new ATOM 0 HA HIS A 134 3.258 19.745 8.566 1.00 31.53 H new ATOM 0 HB2 HIS A 134 3.050 17.206 8.953 1.00 43.44 H new ATOM 0 HB3 HIS A 134 1.435 17.325 8.283 1.00 43.44 H new ATOM 0 HD2 HIS A 134 4.867 18.741 6.838 1.00 54.44 H new ATOM 0 HE1 HIS A 134 2.935 16.422 3.874 1.00 51.53 H new ATOM 0 HE2 HIS A 134 4.978 17.834 4.402 1.00 64.33 H new ATOM 2203 N HIS A 135 -0.056 19.488 8.233 1.00 75.21 N ATOM 2204 CA HIS A 135 -1.314 20.156 7.820 1.00 25.34 C ATOM 2205 C HIS A 135 -1.453 20.348 6.282 1.00 33.55 C ATOM 2206 O HIS A 135 -0.540 20.832 5.608 1.00 64.22 O ATOM 2207 CB HIS A 135 -1.489 21.524 8.548 1.00 44.43 C ATOM 2208 CG HIS A 135 -2.773 22.239 8.228 1.00 30.00 C ATOM 2209 ND1 HIS A 135 -2.827 23.373 7.456 1.00 4.23 N ATOM 2210 CD2 HIS A 135 -4.053 21.960 8.564 1.00 30.21 C ATOM 2211 CE1 HIS A 135 -4.073 23.763 7.339 1.00 50.13 C ATOM 2212 NE2 HIS A 135 -4.836 22.924 7.996 1.00 12.33 N ATOM 0 H HIS A 135 -0.217 18.579 8.666 1.00 75.21 H new ATOM 0 HA HIS A 135 -2.112 19.477 8.120 1.00 25.34 H new ATOM 0 HB2 HIS A 135 -1.438 21.358 9.624 1.00 44.43 H new ATOM 0 HB3 HIS A 135 -0.652 22.171 8.286 1.00 44.43 H new ATOM 0 HD2 HIS A 135 -4.392 21.131 9.168 1.00 30.21 H new ATOM 0 HE1 HIS A 135 -4.414 24.630 6.793 1.00 50.13 H new ATOM 0 HE2 HIS A 135 -5.852 22.982 8.071 1.00 12.33 H new ATOM 2221 N HIS A 136 -2.626 19.982 5.751 1.00 53.24 N ATOM 2222 CA HIS A 136 -3.029 20.281 4.367 1.00 2.13 C ATOM 2223 C HIS A 136 -4.460 20.863 4.378 1.00 50.12 C ATOM 2224 O HIS A 136 -5.415 20.099 4.612 1.00 42.53 O ATOM 2225 CB HIS A 136 -2.947 19.017 3.463 1.00 22.34 C ATOM 2226 CG HIS A 136 -1.548 18.597 3.102 1.00 12.41 C ATOM 2227 ND1 HIS A 136 -1.034 17.338 3.341 1.00 62.23 N ATOM 2228 CD2 HIS A 136 -0.560 19.289 2.491 1.00 24.13 C ATOM 2229 CE1 HIS A 136 0.202 17.282 2.891 1.00 43.30 C ATOM 2230 NE2 HIS A 136 0.510 18.447 2.374 1.00 72.20 N ATOM 2231 OXT HIS A 136 -4.626 22.082 4.170 1.00 38.48 O ATOM 0 H HIS A 136 -3.332 19.464 6.274 1.00 53.24 H new ATOM 0 HA HIS A 136 -2.341 21.014 3.947 1.00 2.13 H new ATOM 0 HB2 HIS A 136 -3.441 18.189 3.972 1.00 22.34 H new ATOM 0 HB3 HIS A 136 -3.504 19.205 2.545 1.00 22.34 H new ATOM 0 HD1 HIS A 136 -1.533 16.573 3.794 1.00 62.23 H new ATOM 0 HD2 HIS A 136 -0.608 20.315 2.158 1.00 24.13 H new ATOM 0 HE1 HIS A 136 0.853 16.421 2.940 1.00 43.30 H new TER 2240 HIS A 136