USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 762 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 62 HIS : no HD1:sc= 0.452 K(o=3.2,f=-7!) USER MOD Set 1.2: A 63 CYS SG : rot -46:sc= 0.811 USER MOD Set 1.3: A 69 THR OG1 : rot -159:sc= 1.93 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0109 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -1.35 K(o=-1.3,f=-0.41) USER MOD Single : A 11 GLN : amide:sc= -3.61! K(o=-3.6!,f=-0.89) USER MOD Single : A 19 LYS NZ :NH3+ 153:sc= 0.00898 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HE2:sc= -0.743 K(o=-0.74,f=-2) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 48 SER OG : rot -36:sc= 0.207 USER MOD Single : A 53 LYS NZ :NH3+ 179:sc= 1.4 (180deg=1.38) USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 GLN : amide:sc= -0.0137 K(o=-0.014,f=-0.52) USER MOD Single : A 70 SER OG : rot 180:sc= 0.0365 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 ASN : amide:sc= 0.308 X(o=0.31,f=-0.0039) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0593) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=-0.018) USER MOD ----------------------------------------------------------------- ATOM 11 N LEU A 2 11.064 -7.091 -3.607 1.00 0.00 N ATOM 12 CA LEU A 2 10.160 -6.787 -4.717 1.00 0.00 C ATOM 13 C LEU A 2 9.260 -7.931 -5.199 1.00 0.00 C ATOM 14 O LEU A 2 9.073 -8.125 -6.401 1.00 0.00 O ATOM 15 CB LEU A 2 10.917 -6.075 -5.860 1.00 0.00 C ATOM 16 CG LEU A 2 11.456 -4.677 -5.503 1.00 0.00 C ATOM 17 CD1 LEU A 2 12.085 -4.022 -6.735 1.00 0.00 C ATOM 18 CD2 LEU A 2 10.341 -3.774 -4.950 1.00 0.00 C ATOM 0 HA LEU A 2 9.428 -6.094 -4.301 1.00 0.00 H new ATOM 0 HB2 LEU A 2 11.752 -6.703 -6.171 1.00 0.00 H new ATOM 0 HB3 LEU A 2 10.250 -5.984 -6.718 1.00 0.00 H new ATOM 0 HG LEU A 2 12.214 -4.800 -4.730 1.00 0.00 H new ATOM 0 HD11 LEU A 2 12.462 -3.034 -6.469 1.00 0.00 H new ATOM 0 HD12 LEU A 2 12.908 -4.640 -7.095 1.00 0.00 H new ATOM 0 HD13 LEU A 2 11.334 -3.925 -7.519 1.00 0.00 H new ATOM 0 HD21 LEU A 2 10.753 -2.794 -4.707 1.00 0.00 H new ATOM 0 HD22 LEU A 2 9.558 -3.663 -5.700 1.00 0.00 H new ATOM 0 HD23 LEU A 2 9.921 -4.224 -4.050 1.00 0.00 H new ATOM 30 N THR A 3 8.666 -8.670 -4.264 1.00 0.00 N ATOM 31 CA THR A 3 7.765 -9.764 -4.603 1.00 0.00 C ATOM 32 C THR A 3 6.367 -9.200 -4.917 1.00 0.00 C ATOM 33 O THR A 3 5.903 -8.249 -4.275 1.00 0.00 O ATOM 34 CB THR A 3 7.703 -10.693 -3.384 1.00 0.00 C ATOM 35 OG1 THR A 3 8.964 -11.275 -3.121 1.00 0.00 O ATOM 36 CG2 THR A 3 6.679 -11.823 -3.488 1.00 0.00 C ATOM 0 H THR A 3 8.795 -8.528 -3.262 1.00 0.00 H new ATOM 0 HA THR A 3 8.116 -10.308 -5.480 1.00 0.00 H new ATOM 0 HB THR A 3 7.388 -10.038 -2.572 1.00 0.00 H new ATOM 0 HG1 THR A 3 8.897 -11.861 -2.338 1.00 0.00 H new ATOM 0 HG21 THR A 3 6.709 -12.426 -2.580 1.00 0.00 H new ATOM 0 HG22 THR A 3 5.682 -11.400 -3.610 1.00 0.00 H new ATOM 0 HG23 THR A 3 6.915 -12.450 -4.348 1.00 0.00 H new ATOM 44 N THR A 4 5.693 -9.795 -5.901 1.00 0.00 N ATOM 45 CA THR A 4 4.340 -9.446 -6.326 1.00 0.00 C ATOM 46 C THR A 4 3.437 -10.493 -5.677 1.00 0.00 C ATOM 47 O THR A 4 3.299 -11.599 -6.204 1.00 0.00 O ATOM 48 CB THR A 4 4.184 -9.396 -7.856 1.00 0.00 C ATOM 49 OG1 THR A 4 5.059 -10.303 -8.503 1.00 0.00 O ATOM 50 CG2 THR A 4 4.484 -7.995 -8.387 1.00 0.00 C ATOM 0 H THR A 4 6.090 -10.562 -6.444 1.00 0.00 H new ATOM 0 HA THR A 4 4.075 -8.437 -6.011 1.00 0.00 H new ATOM 0 HB THR A 4 3.151 -9.671 -8.070 1.00 0.00 H new ATOM 0 HG1 THR A 4 4.931 -10.245 -9.473 1.00 0.00 H new ATOM 0 HG21 THR A 4 4.367 -7.984 -9.471 1.00 0.00 H new ATOM 0 HG22 THR A 4 3.792 -7.281 -7.940 1.00 0.00 H new ATOM 0 HG23 THR A 4 5.507 -7.720 -8.129 1.00 0.00 H new ATOM 58 N ILE A 5 2.944 -10.184 -4.481 1.00 0.00 N ATOM 59 CA ILE A 5 2.084 -11.055 -3.691 1.00 0.00 C ATOM 60 C ILE A 5 0.662 -10.957 -4.238 1.00 0.00 C ATOM 61 O ILE A 5 0.233 -9.873 -4.631 1.00 0.00 O ATOM 62 CB ILE A 5 2.210 -10.656 -2.205 1.00 0.00 C ATOM 63 CG1 ILE A 5 1.434 -11.648 -1.317 1.00 0.00 C ATOM 64 CG2 ILE A 5 1.807 -9.190 -1.923 1.00 0.00 C ATOM 65 CD1 ILE A 5 1.850 -11.511 0.147 1.00 0.00 C ATOM 0 H ILE A 5 3.139 -9.294 -4.023 1.00 0.00 H new ATOM 0 HA ILE A 5 2.379 -12.102 -3.762 1.00 0.00 H new ATOM 0 HB ILE A 5 3.268 -10.713 -1.950 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.363 -11.468 -1.413 1.00 0.00 H new ATOM 0 HG13 ILE A 5 1.617 -12.667 -1.657 1.00 0.00 H new ATOM 0 HG21 ILE A 5 1.920 -8.980 -0.859 1.00 0.00 H new ATOM 0 HG22 ILE A 5 2.448 -8.520 -2.496 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.768 -9.036 -2.215 1.00 0.00 H new ATOM 0 HD11 ILE A 5 1.288 -12.222 0.753 1.00 0.00 H new ATOM 0 HD12 ILE A 5 2.916 -11.716 0.243 1.00 0.00 H new ATOM 0 HD13 ILE A 5 1.643 -10.498 0.491 1.00 0.00 H new ATOM 77 N SER A 6 -0.056 -12.078 -4.315 1.00 0.00 N ATOM 78 CA SER A 6 -1.411 -12.062 -4.836 1.00 0.00 C ATOM 79 C SER A 6 -2.441 -11.631 -3.782 1.00 0.00 C ATOM 80 O SER A 6 -2.254 -11.860 -2.581 1.00 0.00 O ATOM 81 CB SER A 6 -1.744 -13.423 -5.450 1.00 0.00 C ATOM 82 OG SER A 6 -1.549 -14.502 -4.566 1.00 0.00 O ATOM 0 H SER A 6 0.279 -12.997 -4.025 1.00 0.00 H new ATOM 0 HA SER A 6 -1.466 -11.307 -5.620 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.782 -13.419 -5.782 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.127 -13.574 -6.336 1.00 0.00 H new ATOM 0 HG SER A 6 -1.780 -15.341 -5.017 1.00 0.00 H new ATOM 88 N PRO A 7 -3.568 -11.054 -4.233 1.00 0.00 N ATOM 89 CA PRO A 7 -4.641 -10.606 -3.366 1.00 0.00 C ATOM 90 C PRO A 7 -5.387 -11.793 -2.744 1.00 0.00 C ATOM 91 O PRO A 7 -6.254 -12.392 -3.390 1.00 0.00 O ATOM 92 CB PRO A 7 -5.521 -9.729 -4.250 1.00 0.00 C ATOM 93 CG PRO A 7 -5.303 -10.261 -5.662 1.00 0.00 C ATOM 94 CD PRO A 7 -3.860 -10.731 -5.625 1.00 0.00 C ATOM 0 HA PRO A 7 -4.281 -10.041 -2.507 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -6.569 -9.798 -3.958 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -5.237 -8.679 -4.174 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -5.988 -11.076 -5.898 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -5.457 -9.487 -6.414 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -3.719 -11.603 -6.264 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -3.189 -9.955 -5.993 1.00 0.00 H new ATOM 102 N HIS A 8 -5.028 -12.094 -1.495 1.00 0.00 N ATOM 103 CA HIS A 8 -5.508 -13.133 -0.590 1.00 0.00 C ATOM 104 C HIS A 8 -4.504 -13.258 0.552 1.00 0.00 C ATOM 105 O HIS A 8 -4.855 -13.146 1.726 1.00 0.00 O ATOM 106 CB HIS A 8 -5.646 -14.504 -1.291 1.00 0.00 C ATOM 107 CG HIS A 8 -5.857 -15.683 -0.358 1.00 0.00 C ATOM 108 ND1 HIS A 8 -7.007 -16.434 -0.264 1.00 0.00 N ATOM 109 CD2 HIS A 8 -4.942 -16.237 0.503 1.00 0.00 C ATOM 110 CE1 HIS A 8 -6.787 -17.403 0.640 1.00 0.00 C ATOM 111 NE2 HIS A 8 -5.572 -17.275 1.189 1.00 0.00 N ATOM 0 H HIS A 8 -4.301 -11.542 -1.040 1.00 0.00 H new ATOM 0 HA HIS A 8 -6.498 -12.850 -0.232 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -6.483 -14.457 -1.987 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -4.749 -14.684 -1.883 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -3.916 -15.924 0.627 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -7.494 -18.180 0.890 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -5.185 -17.826 1.955 1.00 0.00 H new ATOM 119 N ASP A 9 -3.250 -13.523 0.196 1.00 0.00 N ATOM 120 CA ASP A 9 -2.140 -13.733 1.117 1.00 0.00 C ATOM 121 C ASP A 9 -1.817 -12.461 1.873 1.00 0.00 C ATOM 122 O ASP A 9 -1.736 -12.466 3.100 1.00 0.00 O ATOM 123 CB ASP A 9 -0.918 -14.246 0.344 1.00 0.00 C ATOM 124 CG ASP A 9 -0.951 -15.765 0.175 1.00 0.00 C ATOM 125 OD1 ASP A 9 -1.468 -16.248 -0.860 1.00 0.00 O ATOM 126 OD2 ASP A 9 -0.416 -16.474 1.053 1.00 0.00 O ATOM 0 H ASP A 9 -2.970 -13.600 -0.782 1.00 0.00 H new ATOM 0 HA ASP A 9 -2.427 -14.484 1.853 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -0.883 -13.772 -0.637 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -0.008 -13.958 0.870 1.00 0.00 H new ATOM 131 N ALA A 10 -1.720 -11.337 1.158 1.00 0.00 N ATOM 132 CA ALA A 10 -1.395 -10.079 1.808 1.00 0.00 C ATOM 133 C ALA A 10 -2.408 -9.641 2.856 1.00 0.00 C ATOM 134 O ALA A 10 -2.047 -8.856 3.727 1.00 0.00 O ATOM 135 CB ALA A 10 -1.149 -8.976 0.775 1.00 0.00 C ATOM 0 H ALA A 10 -1.860 -11.278 0.149 1.00 0.00 H new ATOM 0 HA ALA A 10 -0.471 -10.259 2.358 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.908 -8.045 1.288 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.318 -9.261 0.129 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.046 -8.836 0.172 1.00 0.00 H new ATOM 141 N GLN A 11 -3.655 -10.110 2.793 1.00 0.00 N ATOM 142 CA GLN A 11 -4.656 -9.751 3.780 1.00 0.00 C ATOM 143 C GLN A 11 -4.280 -10.348 5.148 1.00 0.00 C ATOM 144 O GLN A 11 -4.701 -9.819 6.174 1.00 0.00 O ATOM 145 CB GLN A 11 -5.986 -10.353 3.288 1.00 0.00 C ATOM 146 CG GLN A 11 -7.214 -10.130 4.182 1.00 0.00 C ATOM 147 CD GLN A 11 -8.145 -11.343 4.156 1.00 0.00 C ATOM 148 OE1 GLN A 11 -7.737 -12.446 4.504 1.00 0.00 O ATOM 149 NE2 GLN A 11 -9.393 -11.197 3.749 1.00 0.00 N ATOM 0 H GLN A 11 -3.990 -10.740 2.064 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.731 -8.670 3.897 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -6.203 -9.941 2.303 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -5.848 -11.427 3.161 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.892 -9.937 5.205 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -7.755 -9.245 3.847 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -9.731 -10.279 3.460 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -10.019 -12.002 3.724 1.00 0.00 H new ATOM 158 N GLU A 12 -3.507 -11.439 5.188 1.00 0.00 N ATOM 159 CA GLU A 12 -3.158 -12.086 6.428 1.00 0.00 C ATOM 160 C GLU A 12 -2.091 -11.302 7.163 1.00 0.00 C ATOM 161 O GLU A 12 -2.330 -10.829 8.272 1.00 0.00 O ATOM 162 CB GLU A 12 -2.765 -13.544 6.128 1.00 0.00 C ATOM 163 CG GLU A 12 -2.414 -14.259 7.424 1.00 0.00 C ATOM 164 CD GLU A 12 -2.582 -15.779 7.394 1.00 0.00 C ATOM 165 OE1 GLU A 12 -3.734 -16.243 7.579 1.00 0.00 O ATOM 166 OE2 GLU A 12 -1.576 -16.520 7.283 1.00 0.00 O ATOM 0 H GLU A 12 -3.115 -11.885 4.359 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.012 -12.109 7.106 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -3.588 -14.057 5.630 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -1.915 -13.568 5.446 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -1.380 -14.029 7.679 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -3.037 -13.856 8.223 1.00 0.00 H new ATOM 173 N LEU A 13 -0.920 -11.173 6.547 1.00 0.00 N ATOM 174 CA LEU A 13 0.234 -10.476 7.096 1.00 0.00 C ATOM 175 C LEU A 13 -0.071 -9.057 7.569 1.00 0.00 C ATOM 176 O LEU A 13 0.423 -8.640 8.620 1.00 0.00 O ATOM 177 CB LEU A 13 1.389 -10.524 6.088 1.00 0.00 C ATOM 178 CG LEU A 13 1.065 -10.095 4.646 1.00 0.00 C ATOM 179 CD1 LEU A 13 1.270 -8.608 4.356 1.00 0.00 C ATOM 180 CD2 LEU A 13 1.947 -10.874 3.677 1.00 0.00 C ATOM 0 H LEU A 13 -0.744 -11.564 5.622 1.00 0.00 H new ATOM 0 HA LEU A 13 0.534 -11.001 8.003 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.192 -9.888 6.460 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.776 -11.543 6.061 1.00 0.00 H new ATOM 0 HG LEU A 13 0.003 -10.305 4.518 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.016 -8.402 3.316 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.628 -8.018 5.010 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.312 -8.343 4.535 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.719 -10.572 2.655 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.995 -10.666 3.892 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.758 -11.941 3.791 1.00 0.00 H new ATOM 192 N ILE A 14 -0.920 -8.327 6.848 1.00 0.00 N ATOM 193 CA ILE A 14 -1.282 -6.960 7.194 1.00 0.00 C ATOM 194 C ILE A 14 -1.952 -6.915 8.557 1.00 0.00 C ATOM 195 O ILE A 14 -1.520 -6.160 9.428 1.00 0.00 O ATOM 196 CB ILE A 14 -2.105 -6.347 6.036 1.00 0.00 C ATOM 197 CG1 ILE A 14 -1.334 -5.174 5.401 1.00 0.00 C ATOM 198 CG2 ILE A 14 -3.579 -6.016 6.324 1.00 0.00 C ATOM 199 CD1 ILE A 14 -1.554 -5.148 3.892 1.00 0.00 C ATOM 0 H ILE A 14 -1.377 -8.672 6.004 1.00 0.00 H new ATOM 0 HA ILE A 14 -0.397 -6.333 7.303 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.208 -7.153 5.309 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.666 -4.233 5.840 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.270 -5.270 5.618 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.038 -5.594 5.430 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.107 -6.926 6.608 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.637 -5.293 7.138 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.003 -4.314 3.458 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.200 -6.082 3.457 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.617 -5.029 3.681 1.00 0.00 H new ATOM 211 N ALA A 15 -2.961 -7.758 8.779 1.00 0.00 N ATOM 212 CA ALA A 15 -3.685 -7.814 10.038 1.00 0.00 C ATOM 213 C ALA A 15 -2.880 -8.526 11.130 1.00 0.00 C ATOM 214 O ALA A 15 -3.443 -8.911 12.155 1.00 0.00 O ATOM 215 CB ALA A 15 -5.047 -8.467 9.798 1.00 0.00 C ATOM 0 H ALA A 15 -3.297 -8.423 8.082 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.843 -6.801 10.407 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.599 -8.514 10.737 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.611 -7.877 9.075 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.904 -9.476 9.411 1.00 0.00 H new ATOM 221 N ARG A 16 -1.577 -8.743 10.930 1.00 0.00 N ATOM 222 CA ARG A 16 -0.708 -9.408 11.898 1.00 0.00 C ATOM 223 C ARG A 16 0.465 -8.520 12.278 1.00 0.00 C ATOM 224 O ARG A 16 0.768 -8.428 13.470 1.00 0.00 O ATOM 225 CB ARG A 16 -0.256 -10.772 11.360 1.00 0.00 C ATOM 226 CG ARG A 16 -1.463 -11.701 11.165 1.00 0.00 C ATOM 227 CD ARG A 16 -1.115 -12.915 10.310 1.00 0.00 C ATOM 228 NE ARG A 16 -0.486 -13.986 11.085 1.00 0.00 N ATOM 229 CZ ARG A 16 0.133 -15.055 10.574 1.00 0.00 C ATOM 230 NH1 ARG A 16 0.612 -15.050 9.335 1.00 0.00 N ATOM 231 NH2 ARG A 16 0.257 -16.137 11.330 1.00 0.00 N ATOM 0 H ARG A 16 -1.092 -8.457 10.079 1.00 0.00 H new ATOM 0 HA ARG A 16 -1.273 -9.588 12.812 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.266 -10.641 10.412 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.452 -11.226 12.053 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.825 -12.034 12.138 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -2.275 -11.147 10.695 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.022 -13.296 9.840 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -0.444 -12.610 9.507 1.00 0.00 H new ATOM 0 HE ARG A 16 -0.523 -13.910 12.101 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.511 -14.219 8.753 1.00 0.00 H new ATOM 0 HH12 ARG A 16 1.081 -15.877 8.966 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -0.116 -16.141 12.279 1.00 0.00 H new ATOM 0 HH22 ARG A 16 0.725 -16.965 10.962 1.00 0.00 H new ATOM 245 N GLY A 17 1.109 -7.854 11.320 1.00 0.00 N ATOM 246 CA GLY A 17 2.243 -6.997 11.637 1.00 0.00 C ATOM 247 C GLY A 17 2.725 -6.123 10.484 1.00 0.00 C ATOM 248 O GLY A 17 3.090 -4.966 10.718 1.00 0.00 O ATOM 0 H GLY A 17 0.866 -7.892 10.330 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.971 -6.353 12.474 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.071 -7.622 11.971 1.00 0.00 H new ATOM 252 N ALA A 18 2.714 -6.649 9.255 1.00 0.00 N ATOM 253 CA ALA A 18 3.175 -5.923 8.074 1.00 0.00 C ATOM 254 C ALA A 18 2.372 -4.647 7.822 1.00 0.00 C ATOM 255 O ALA A 18 1.154 -4.615 8.009 1.00 0.00 O ATOM 256 CB ALA A 18 3.075 -6.818 6.841 1.00 0.00 C ATOM 0 H ALA A 18 2.384 -7.593 9.054 1.00 0.00 H new ATOM 0 HA ALA A 18 4.211 -5.639 8.261 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.420 -6.270 5.964 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.695 -7.703 6.983 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.038 -7.121 6.694 1.00 0.00 H new ATOM 262 N LYS A 19 3.048 -3.586 7.372 1.00 0.00 N ATOM 263 CA LYS A 19 2.420 -2.300 7.060 1.00 0.00 C ATOM 264 C LYS A 19 2.363 -2.104 5.552 1.00 0.00 C ATOM 265 O LYS A 19 3.030 -2.820 4.815 1.00 0.00 O ATOM 266 CB LYS A 19 3.159 -1.148 7.760 1.00 0.00 C ATOM 267 CG LYS A 19 2.822 -0.992 9.252 1.00 0.00 C ATOM 268 CD LYS A 19 1.311 -0.801 9.500 1.00 0.00 C ATOM 269 CE LYS A 19 0.543 -2.086 9.837 1.00 0.00 C ATOM 270 NZ LYS A 19 -0.887 -1.988 9.458 1.00 0.00 N ATOM 0 H LYS A 19 4.055 -3.596 7.213 1.00 0.00 H new ATOM 0 HA LYS A 19 1.398 -2.300 7.438 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.233 -1.305 7.657 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.923 -0.216 7.247 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.167 -1.873 9.793 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.364 -0.137 9.656 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.179 -0.091 10.317 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.866 -0.352 8.612 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.000 -2.929 9.318 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.623 -2.288 10.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -1.260 -2.939 9.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.424 -1.559 10.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.981 -1.397 8.607 1.00 0.00 H new ATOM 284 N LEU A 20 1.584 -1.130 5.090 1.00 0.00 N ATOM 285 CA LEU A 20 1.393 -0.788 3.687 1.00 0.00 C ATOM 286 C LEU A 20 1.481 0.736 3.597 1.00 0.00 C ATOM 287 O LEU A 20 1.090 1.420 4.545 1.00 0.00 O ATOM 288 CB LEU A 20 0.003 -1.314 3.284 1.00 0.00 C ATOM 289 CG LEU A 20 -0.345 -1.488 1.788 1.00 0.00 C ATOM 290 CD1 LEU A 20 -1.825 -1.857 1.721 1.00 0.00 C ATOM 291 CD2 LEU A 20 -0.072 -0.309 0.845 1.00 0.00 C ATOM 0 H LEU A 20 1.044 -0.531 5.714 1.00 0.00 H new ATOM 0 HA LEU A 20 2.135 -1.225 3.019 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.130 -2.283 3.764 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.738 -0.640 3.715 1.00 0.00 H new ATOM 0 HG LEU A 20 0.335 -2.255 1.417 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.120 -1.991 0.680 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.994 -2.784 2.268 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.419 -1.059 2.167 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.366 -0.579 -0.169 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.647 0.558 1.171 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.991 -0.067 0.863 1.00 0.00 H new ATOM 303 N ILE A 21 1.969 1.282 2.486 1.00 0.00 N ATOM 304 CA ILE A 21 2.096 2.714 2.251 1.00 0.00 C ATOM 305 C ILE A 21 1.406 3.007 0.927 1.00 0.00 C ATOM 306 O ILE A 21 1.724 2.394 -0.101 1.00 0.00 O ATOM 307 CB ILE A 21 3.574 3.153 2.208 1.00 0.00 C ATOM 308 CG1 ILE A 21 4.446 2.544 3.317 1.00 0.00 C ATOM 309 CG2 ILE A 21 3.699 4.686 2.235 1.00 0.00 C ATOM 310 CD1 ILE A 21 3.940 2.847 4.729 1.00 0.00 C ATOM 0 H ILE A 21 2.297 0.720 1.700 1.00 0.00 H new ATOM 0 HA ILE A 21 1.635 3.273 3.065 1.00 0.00 H new ATOM 0 HB ILE A 21 3.955 2.764 1.264 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.491 1.464 3.180 1.00 0.00 H new ATOM 0 HG13 ILE A 21 5.464 2.921 3.216 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.752 4.966 2.204 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.186 5.108 1.371 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.248 5.072 3.149 1.00 0.00 H new ATOM 0 HD11 ILE A 21 4.604 2.386 5.460 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.921 3.926 4.885 1.00 0.00 H new ATOM 0 HD13 ILE A 21 2.934 2.446 4.849 1.00 0.00 H new ATOM 322 N ASP A 22 0.452 3.932 0.974 1.00 0.00 N ATOM 323 CA ASP A 22 -0.328 4.366 -0.172 1.00 0.00 C ATOM 324 C ASP A 22 0.475 5.419 -0.923 1.00 0.00 C ATOM 325 O ASP A 22 0.223 6.621 -0.790 1.00 0.00 O ATOM 326 CB ASP A 22 -1.677 4.938 0.300 1.00 0.00 C ATOM 327 CG ASP A 22 -2.776 3.895 0.372 1.00 0.00 C ATOM 328 OD1 ASP A 22 -3.640 4.022 1.267 1.00 0.00 O ATOM 329 OD2 ASP A 22 -2.872 3.068 -0.554 1.00 0.00 O ATOM 0 H ASP A 22 0.196 4.412 1.837 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.535 3.525 -0.834 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.549 5.390 1.284 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.984 5.734 -0.378 1.00 0.00 H new ATOM 334 N ILE A 23 1.449 5.003 -1.736 1.00 0.00 N ATOM 335 CA ILE A 23 2.285 5.925 -2.511 1.00 0.00 C ATOM 336 C ILE A 23 1.535 6.376 -3.790 1.00 0.00 C ATOM 337 O ILE A 23 2.106 6.501 -4.873 1.00 0.00 O ATOM 338 CB ILE A 23 3.730 5.364 -2.672 1.00 0.00 C ATOM 339 CG1 ILE A 23 3.941 4.045 -3.453 1.00 0.00 C ATOM 340 CG2 ILE A 23 4.350 5.109 -1.290 1.00 0.00 C ATOM 341 CD1 ILE A 23 4.136 4.279 -4.943 1.00 0.00 C ATOM 0 H ILE A 23 1.681 4.020 -1.876 1.00 0.00 H new ATOM 0 HA ILE A 23 2.455 6.859 -1.976 1.00 0.00 H new ATOM 0 HB ILE A 23 4.193 6.151 -3.268 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.811 3.524 -3.053 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.081 3.393 -3.300 1.00 0.00 H new ATOM 0 HG21 ILE A 23 5.360 4.717 -1.411 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.388 6.044 -0.730 1.00 0.00 H new ATOM 0 HG23 ILE A 23 3.743 4.385 -0.747 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.280 3.323 -5.446 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.256 4.775 -5.352 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.012 4.907 -5.101 1.00 0.00 H new ATOM 353 N ARG A 24 0.223 6.620 -3.668 1.00 0.00 N ATOM 354 CA ARG A 24 -0.686 7.042 -4.730 1.00 0.00 C ATOM 355 C ARG A 24 -0.893 8.552 -4.726 1.00 0.00 C ATOM 356 O ARG A 24 -0.249 9.258 -5.504 1.00 0.00 O ATOM 357 CB ARG A 24 -2.032 6.269 -4.710 1.00 0.00 C ATOM 358 CG ARG A 24 -2.563 5.902 -3.319 1.00 0.00 C ATOM 359 CD ARG A 24 -4.036 5.447 -3.337 1.00 0.00 C ATOM 360 NE ARG A 24 -4.562 5.411 -1.968 1.00 0.00 N ATOM 361 CZ ARG A 24 -5.692 4.847 -1.513 1.00 0.00 C ATOM 362 NH1 ARG A 24 -6.724 4.573 -2.292 1.00 0.00 N ATOM 363 NH2 ARG A 24 -5.836 4.583 -0.230 1.00 0.00 N ATOM 0 H ARG A 24 -0.255 6.521 -2.772 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.203 6.783 -5.672 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.784 6.871 -5.219 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -1.913 5.352 -5.288 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -1.948 5.106 -2.900 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.463 6.764 -2.659 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.629 6.129 -3.946 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.116 4.460 -3.793 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.990 5.879 -1.265 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -6.683 4.791 -3.288 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -7.561 4.144 -1.898 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -5.086 4.807 0.424 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.697 4.154 0.109 1.00 0.00 H new ATOM 377 N ASP A 25 -1.811 9.042 -3.900 1.00 0.00 N ATOM 378 CA ASP A 25 -2.182 10.444 -3.757 1.00 0.00 C ATOM 379 C ASP A 25 -3.004 10.585 -2.473 1.00 0.00 C ATOM 380 O ASP A 25 -3.185 9.590 -1.761 1.00 0.00 O ATOM 381 CB ASP A 25 -3.061 10.827 -4.951 1.00 0.00 C ATOM 382 CG ASP A 25 -3.161 12.342 -5.106 1.00 0.00 C ATOM 383 OD1 ASP A 25 -2.206 12.944 -5.646 1.00 0.00 O ATOM 384 OD2 ASP A 25 -4.184 12.921 -4.685 1.00 0.00 O ATOM 0 H ASP A 25 -2.346 8.437 -3.277 1.00 0.00 H new ATOM 0 HA ASP A 25 -1.300 11.083 -3.717 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.649 10.393 -5.862 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.058 10.407 -4.820 1.00 0.00 H new ATOM 389 N ALA A 26 -3.504 11.779 -2.151 1.00 0.00 N ATOM 390 CA ALA A 26 -4.314 12.040 -0.969 1.00 0.00 C ATOM 391 C ALA A 26 -5.797 12.211 -1.308 1.00 0.00 C ATOM 392 O ALA A 26 -6.635 12.028 -0.428 1.00 0.00 O ATOM 393 CB ALA A 26 -3.793 13.296 -0.272 1.00 0.00 C ATOM 0 H ALA A 26 -3.351 12.610 -2.722 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.232 11.177 -0.309 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.395 13.497 0.614 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.754 13.145 0.022 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.857 14.144 -0.954 1.00 0.00 H new ATOM 399 N ASP A 27 -6.144 12.509 -2.562 1.00 0.00 N ATOM 400 CA ASP A 27 -7.535 12.711 -2.989 1.00 0.00 C ATOM 401 C ASP A 27 -8.304 11.392 -3.066 1.00 0.00 C ATOM 402 O ASP A 27 -9.523 11.396 -3.220 1.00 0.00 O ATOM 403 CB ASP A 27 -7.584 13.434 -4.348 1.00 0.00 C ATOM 404 CG ASP A 27 -7.109 14.887 -4.316 1.00 0.00 C ATOM 405 OD1 ASP A 27 -7.154 15.541 -5.381 1.00 0.00 O ATOM 406 OD2 ASP A 27 -6.693 15.386 -3.245 1.00 0.00 O ATOM 0 H ASP A 27 -5.466 12.618 -3.316 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.018 13.334 -2.236 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.972 12.881 -5.060 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -8.608 13.409 -4.721 1.00 0.00 H new ATOM 411 N GLU A 28 -7.599 10.267 -2.976 1.00 0.00 N ATOM 412 CA GLU A 28 -8.160 8.923 -3.015 1.00 0.00 C ATOM 413 C GLU A 28 -8.697 8.567 -1.624 1.00 0.00 C ATOM 414 O GLU A 28 -9.861 8.191 -1.493 1.00 0.00 O ATOM 415 CB GLU A 28 -7.061 7.942 -3.453 1.00 0.00 C ATOM 416 CG GLU A 28 -6.490 8.251 -4.849 1.00 0.00 C ATOM 417 CD GLU A 28 -7.514 8.129 -5.977 1.00 0.00 C ATOM 418 OE1 GLU A 28 -7.422 8.928 -6.936 1.00 0.00 O ATOM 419 OE2 GLU A 28 -8.349 7.192 -5.952 1.00 0.00 O ATOM 0 H GLU A 28 -6.585 10.269 -2.870 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.983 8.866 -3.727 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.251 7.965 -2.724 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.465 6.930 -3.449 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -6.083 9.262 -4.849 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.660 7.573 -5.050 1.00 0.00 H new ATOM 426 N TYR A 29 -7.840 8.754 -0.604 1.00 0.00 N ATOM 427 CA TYR A 29 -8.070 8.508 0.828 1.00 0.00 C ATOM 428 C TYR A 29 -9.353 9.201 1.328 1.00 0.00 C ATOM 429 O TYR A 29 -9.964 8.830 2.326 1.00 0.00 O ATOM 430 CB TYR A 29 -6.861 9.088 1.586 1.00 0.00 C ATOM 431 CG TYR A 29 -6.869 8.965 3.098 1.00 0.00 C ATOM 432 CD1 TYR A 29 -6.412 7.784 3.708 1.00 0.00 C ATOM 433 CD2 TYR A 29 -7.274 10.050 3.900 1.00 0.00 C ATOM 434 CE1 TYR A 29 -6.318 7.699 5.106 1.00 0.00 C ATOM 435 CE2 TYR A 29 -7.229 9.954 5.302 1.00 0.00 C ATOM 436 CZ TYR A 29 -6.756 8.771 5.909 1.00 0.00 C ATOM 437 OH TYR A 29 -6.691 8.669 7.265 1.00 0.00 O ATOM 0 H TYR A 29 -6.898 9.108 -0.774 1.00 0.00 H new ATOM 0 HA TYR A 29 -8.187 7.438 0.997 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -5.961 8.600 1.212 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -6.779 10.145 1.333 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.132 6.938 3.098 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -7.621 10.961 3.435 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -5.910 6.811 5.566 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -7.555 10.783 5.912 1.00 0.00 H new ATOM 0 HH TYR A 29 -7.030 9.494 7.672 1.00 0.00 H new ATOM 447 N LEU A 30 -9.729 10.275 0.631 1.00 0.00 N ATOM 448 CA LEU A 30 -10.883 11.110 0.895 1.00 0.00 C ATOM 449 C LEU A 30 -12.199 10.338 0.792 1.00 0.00 C ATOM 450 O LEU A 30 -13.118 10.596 1.570 1.00 0.00 O ATOM 451 CB LEU A 30 -10.810 12.268 -0.111 1.00 0.00 C ATOM 452 CG LEU A 30 -11.697 13.469 0.253 1.00 0.00 C ATOM 453 CD1 LEU A 30 -11.018 14.746 -0.254 1.00 0.00 C ATOM 454 CD2 LEU A 30 -13.103 13.372 -0.358 1.00 0.00 C ATOM 0 H LEU A 30 -9.199 10.597 -0.179 1.00 0.00 H new ATOM 0 HA LEU A 30 -10.864 11.481 1.920 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.776 12.604 -0.189 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -11.100 11.900 -1.095 1.00 0.00 H new ATOM 0 HG LEU A 30 -11.815 13.482 1.337 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -11.634 15.610 -0.004 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.040 14.850 0.217 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.896 14.688 -1.336 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -13.687 14.246 -0.069 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -13.026 13.331 -1.444 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -13.596 12.470 0.005 1.00 0.00 H new ATOM 466 N ARG A 31 -12.325 9.412 -0.164 1.00 0.00 N ATOM 467 CA ARG A 31 -13.549 8.624 -0.366 1.00 0.00 C ATOM 468 C ARG A 31 -13.375 7.158 -0.030 1.00 0.00 C ATOM 469 O ARG A 31 -14.285 6.539 0.522 1.00 0.00 O ATOM 470 CB ARG A 31 -13.971 8.719 -1.841 1.00 0.00 C ATOM 471 CG ARG A 31 -14.751 9.994 -2.148 1.00 0.00 C ATOM 472 CD ARG A 31 -16.203 9.888 -1.669 1.00 0.00 C ATOM 473 NE ARG A 31 -16.938 11.111 -1.998 1.00 0.00 N ATOM 474 CZ ARG A 31 -18.255 11.227 -2.162 1.00 0.00 C ATOM 475 NH1 ARG A 31 -19.091 10.229 -1.910 1.00 0.00 N ATOM 476 NH2 ARG A 31 -18.754 12.380 -2.576 1.00 0.00 N ATOM 0 H ARG A 31 -11.580 9.186 -0.822 1.00 0.00 H new ATOM 0 HA ARG A 31 -14.302 9.038 0.305 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -13.083 8.680 -2.472 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -14.582 7.853 -2.097 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -14.268 10.843 -1.665 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -14.733 10.184 -3.221 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -16.685 9.029 -2.136 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -16.226 9.720 -0.592 1.00 0.00 H new ATOM 0 HE ARG A 31 -16.385 11.961 -2.113 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -18.731 9.334 -1.578 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -20.094 10.356 -2.048 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -18.132 13.166 -2.765 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -19.760 12.483 -2.706 1.00 0.00 H new ATOM 490 N GLU A 32 -12.245 6.598 -0.417 1.00 0.00 N ATOM 491 CA GLU A 32 -11.895 5.204 -0.229 1.00 0.00 C ATOM 492 C GLU A 32 -10.569 5.146 0.505 1.00 0.00 C ATOM 493 O GLU A 32 -9.972 6.180 0.757 1.00 0.00 O ATOM 494 CB GLU A 32 -11.703 4.588 -1.619 1.00 0.00 C ATOM 495 CG GLU A 32 -12.960 4.617 -2.518 1.00 0.00 C ATOM 496 CD GLU A 32 -12.656 4.452 -4.012 1.00 0.00 C ATOM 497 OE1 GLU A 32 -13.466 3.802 -4.713 1.00 0.00 O ATOM 498 OE2 GLU A 32 -11.682 5.057 -4.520 1.00 0.00 O ATOM 0 H GLU A 32 -11.513 7.127 -0.892 1.00 0.00 H new ATOM 0 HA GLU A 32 -12.665 4.674 0.332 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.897 5.117 -2.128 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.381 3.553 -1.502 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -13.638 3.823 -2.205 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -13.483 5.561 -2.365 1.00 0.00 H new ATOM 505 N HIS A 33 -10.119 3.955 0.884 1.00 0.00 N ATOM 506 CA HIS A 33 -8.839 3.799 1.552 1.00 0.00 C ATOM 507 C HIS A 33 -8.159 2.599 0.910 1.00 0.00 C ATOM 508 O HIS A 33 -8.007 2.613 -0.308 1.00 0.00 O ATOM 509 CB HIS A 33 -8.936 3.715 3.071 1.00 0.00 C ATOM 510 CG HIS A 33 -9.490 4.924 3.783 1.00 0.00 C ATOM 511 ND1 HIS A 33 -10.773 5.416 3.729 1.00 0.00 N ATOM 512 CD2 HIS A 33 -8.794 5.703 4.665 1.00 0.00 C ATOM 513 CE1 HIS A 33 -10.824 6.508 4.503 1.00 0.00 C ATOM 514 NE2 HIS A 33 -9.656 6.691 5.140 1.00 0.00 N ATOM 0 H HIS A 33 -10.626 3.082 0.738 1.00 0.00 H new ATOM 0 HA HIS A 33 -8.233 4.694 1.413 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -9.557 2.856 3.325 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -7.940 3.515 3.465 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -11.547 5.020 3.195 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -7.759 5.576 4.945 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -11.685 7.152 4.601 1.00 0.00 H new ATOM 522 N ILE A 34 -7.750 1.592 1.684 1.00 0.00 N ATOM 523 CA ILE A 34 -7.060 0.389 1.234 1.00 0.00 C ATOM 524 C ILE A 34 -6.868 -0.566 2.439 1.00 0.00 C ATOM 525 O ILE A 34 -7.192 -0.165 3.564 1.00 0.00 O ATOM 526 CB ILE A 34 -5.665 0.862 0.681 1.00 0.00 C ATOM 527 CG1 ILE A 34 -5.423 0.360 -0.756 1.00 0.00 C ATOM 528 CG2 ILE A 34 -4.513 0.723 1.688 1.00 0.00 C ATOM 529 CD1 ILE A 34 -4.066 -0.190 -1.199 1.00 0.00 C ATOM 0 H ILE A 34 -7.900 1.597 2.693 1.00 0.00 H new ATOM 0 HA ILE A 34 -7.621 -0.143 0.466 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.696 1.946 0.568 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -6.158 -0.423 -0.945 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.661 1.188 -1.424 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.586 1.070 1.231 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.728 1.323 2.572 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.406 -0.323 1.977 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.118 -0.486 -2.247 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.304 0.580 -1.076 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.808 -1.056 -0.590 1.00 0.00 H new ATOM 541 N PRO A 35 -6.325 -1.786 2.247 1.00 0.00 N ATOM 542 CA PRO A 35 -6.044 -2.733 3.305 1.00 0.00 C ATOM 543 C PRO A 35 -4.915 -2.282 4.255 1.00 0.00 C ATOM 544 O PRO A 35 -3.740 -2.526 3.997 1.00 0.00 O ATOM 545 CB PRO A 35 -5.708 -4.067 2.629 1.00 0.00 C ATOM 546 CG PRO A 35 -5.400 -3.752 1.168 1.00 0.00 C ATOM 547 CD PRO A 35 -5.947 -2.351 0.965 1.00 0.00 C ATOM 0 HA PRO A 35 -6.919 -2.821 3.948 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -4.853 -4.541 3.111 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -6.544 -4.762 2.707 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -4.329 -3.794 0.969 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -5.877 -4.467 0.497 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -5.196 -1.722 0.486 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -6.810 -2.379 0.300 1.00 0.00 H new ATOM 555 N GLU A 36 -5.256 -1.576 5.338 1.00 0.00 N ATOM 556 CA GLU A 36 -4.340 -1.151 6.408 1.00 0.00 C ATOM 557 C GLU A 36 -3.146 -0.198 6.167 1.00 0.00 C ATOM 558 O GLU A 36 -2.162 -0.263 6.924 1.00 0.00 O ATOM 559 CB GLU A 36 -3.863 -2.465 7.057 1.00 0.00 C ATOM 560 CG GLU A 36 -4.219 -2.551 8.534 1.00 0.00 C ATOM 561 CD GLU A 36 -5.725 -2.689 8.748 1.00 0.00 C ATOM 562 OE1 GLU A 36 -6.351 -1.720 9.239 1.00 0.00 O ATOM 563 OE2 GLU A 36 -6.272 -3.778 8.463 1.00 0.00 O ATOM 0 H GLU A 36 -6.216 -1.272 5.502 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.938 -0.467 7.010 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.308 -3.309 6.530 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.783 -2.552 6.942 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -3.709 -3.404 8.982 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.859 -1.659 9.047 1.00 0.00 H new ATOM 570 N ALA A 37 -3.182 0.651 5.136 1.00 0.00 N ATOM 571 CA ALA A 37 -2.085 1.590 4.874 1.00 0.00 C ATOM 572 C ALA A 37 -2.243 2.892 5.677 1.00 0.00 C ATOM 573 O ALA A 37 -2.847 2.913 6.752 1.00 0.00 O ATOM 574 CB ALA A 37 -1.993 1.882 3.374 1.00 0.00 C ATOM 0 H ALA A 37 -3.954 0.708 4.472 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.156 1.123 5.202 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.176 2.580 3.189 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.807 0.954 2.833 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.930 2.321 3.031 1.00 0.00 H new ATOM 580 N ASP A 38 -1.592 3.955 5.201 1.00 0.00 N ATOM 581 CA ASP A 38 -1.599 5.308 5.733 1.00 0.00 C ATOM 582 C ASP A 38 -1.124 6.233 4.612 1.00 0.00 C ATOM 583 O ASP A 38 -0.442 5.792 3.677 1.00 0.00 O ATOM 584 CB ASP A 38 -0.657 5.451 6.924 1.00 0.00 C ATOM 585 CG ASP A 38 -0.865 6.742 7.723 1.00 0.00 C ATOM 586 OD1 ASP A 38 -1.925 7.409 7.611 1.00 0.00 O ATOM 587 OD2 ASP A 38 0.045 7.112 8.501 1.00 0.00 O ATOM 0 H ASP A 38 -1.004 3.881 4.371 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.603 5.558 6.075 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.793 4.597 7.588 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.373 5.417 6.568 1.00 0.00 H new ATOM 592 N LEU A 39 -1.434 7.520 4.741 1.00 0.00 N ATOM 593 CA LEU A 39 -1.100 8.558 3.784 1.00 0.00 C ATOM 594 C LEU A 39 0.387 8.919 3.798 1.00 0.00 C ATOM 595 O LEU A 39 0.939 9.241 4.858 1.00 0.00 O ATOM 596 CB LEU A 39 -1.979 9.780 4.104 1.00 0.00 C ATOM 597 CG LEU A 39 -1.881 10.917 3.075 1.00 0.00 C ATOM 598 CD1 LEU A 39 -2.359 10.472 1.688 1.00 0.00 C ATOM 599 CD2 LEU A 39 -2.760 12.084 3.533 1.00 0.00 C ATOM 0 H LEU A 39 -1.945 7.877 5.548 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.296 8.196 2.775 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.018 9.457 4.173 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.699 10.167 5.084 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.834 11.212 3.004 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.274 11.304 0.989 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.744 9.642 1.340 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.400 10.153 1.747 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.695 12.895 2.807 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.795 11.751 3.613 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.417 12.439 4.505 1.00 0.00 H new ATOM 611 N ALA A 40 1.023 8.898 2.619 1.00 0.00 N ATOM 612 CA ALA A 40 2.427 9.215 2.331 1.00 0.00 C ATOM 613 C ALA A 40 2.661 9.006 0.821 1.00 0.00 C ATOM 614 O ALA A 40 3.125 7.934 0.429 1.00 0.00 O ATOM 615 CB ALA A 40 3.386 8.353 3.171 1.00 0.00 C ATOM 0 H ALA A 40 0.524 8.636 1.769 1.00 0.00 H new ATOM 0 HA ALA A 40 2.633 10.251 2.600 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.416 8.616 2.931 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.203 8.533 4.230 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.219 7.299 2.947 1.00 0.00 H new ATOM 621 N PRO A 41 2.338 9.986 -0.045 1.00 0.00 N ATOM 622 CA PRO A 41 2.547 9.841 -1.481 1.00 0.00 C ATOM 623 C PRO A 41 4.044 9.734 -1.800 1.00 0.00 C ATOM 624 O PRO A 41 4.897 10.062 -0.966 1.00 0.00 O ATOM 625 CB PRO A 41 1.876 11.052 -2.142 1.00 0.00 C ATOM 626 CG PRO A 41 1.795 12.099 -1.034 1.00 0.00 C ATOM 627 CD PRO A 41 1.771 11.289 0.265 1.00 0.00 C ATOM 0 HA PRO A 41 2.104 8.923 -1.869 1.00 0.00 H new ATOM 0 HB2 PRO A 41 2.459 11.415 -2.989 1.00 0.00 H new ATOM 0 HB3 PRO A 41 0.886 10.799 -2.521 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.650 12.774 -1.064 1.00 0.00 H new ATOM 0 HG3 PRO A 41 0.900 12.713 -1.134 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.349 11.788 1.043 1.00 0.00 H new ATOM 0 HD3 PRO A 41 0.752 11.189 0.640 1.00 0.00 H new ATOM 635 N LEU A 42 4.369 9.320 -3.031 1.00 0.00 N ATOM 636 CA LEU A 42 5.747 9.154 -3.491 1.00 0.00 C ATOM 637 C LEU A 42 6.572 10.392 -3.197 1.00 0.00 C ATOM 638 O LEU A 42 7.677 10.252 -2.697 1.00 0.00 O ATOM 639 CB LEU A 42 5.805 8.847 -4.998 1.00 0.00 C ATOM 640 CG LEU A 42 7.244 8.814 -5.572 1.00 0.00 C ATOM 641 CD1 LEU A 42 8.081 7.694 -4.944 1.00 0.00 C ATOM 642 CD2 LEU A 42 7.162 8.593 -7.086 1.00 0.00 C ATOM 0 H LEU A 42 3.673 9.089 -3.740 1.00 0.00 H new ATOM 0 HA LEU A 42 6.165 8.308 -2.946 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.328 7.885 -5.182 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.226 9.598 -5.535 1.00 0.00 H new ATOM 0 HG LEU A 42 7.729 9.763 -5.341 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.083 7.704 -5.373 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.146 7.848 -3.867 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.610 6.732 -5.145 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.168 8.567 -7.505 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.660 7.647 -7.289 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.599 9.407 -7.543 1.00 0.00 H new ATOM 654 N SER A 43 6.043 11.583 -3.477 1.00 0.00 N ATOM 655 CA SER A 43 6.734 12.845 -3.261 1.00 0.00 C ATOM 656 C SER A 43 7.327 12.998 -1.854 1.00 0.00 C ATOM 657 O SER A 43 8.365 13.648 -1.728 1.00 0.00 O ATOM 658 CB SER A 43 5.784 13.981 -3.634 1.00 0.00 C ATOM 659 OG SER A 43 5.375 13.795 -4.982 1.00 0.00 O ATOM 0 H SER A 43 5.107 11.695 -3.866 1.00 0.00 H new ATOM 0 HA SER A 43 7.611 12.874 -3.908 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.918 13.985 -2.972 1.00 0.00 H new ATOM 0 HB3 SER A 43 6.280 14.945 -3.517 1.00 0.00 H new ATOM 0 HG SER A 43 4.762 14.515 -5.240 1.00 0.00 H new ATOM 665 N VAL A 44 6.711 12.405 -0.826 1.00 0.00 N ATOM 666 CA VAL A 44 7.195 12.461 0.549 1.00 0.00 C ATOM 667 C VAL A 44 8.272 11.383 0.720 1.00 0.00 C ATOM 668 O VAL A 44 9.322 11.635 1.306 1.00 0.00 O ATOM 669 CB VAL A 44 6.038 12.259 1.551 1.00 0.00 C ATOM 670 CG1 VAL A 44 6.502 12.589 2.976 1.00 0.00 C ATOM 671 CG2 VAL A 44 4.828 13.137 1.213 1.00 0.00 C ATOM 0 H VAL A 44 5.851 11.867 -0.932 1.00 0.00 H new ATOM 0 HA VAL A 44 7.621 13.443 0.754 1.00 0.00 H new ATOM 0 HB VAL A 44 5.739 11.213 1.484 1.00 0.00 H new ATOM 0 HG11 VAL A 44 5.675 12.442 3.671 1.00 0.00 H new ATOM 0 HG12 VAL A 44 7.328 11.933 3.251 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.833 13.627 3.020 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.037 12.963 1.943 1.00 0.00 H new ATOM 0 HG22 VAL A 44 5.121 14.186 1.239 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.464 12.886 0.217 1.00 0.00 H new ATOM 681 N LEU A 45 8.051 10.193 0.157 1.00 0.00 N ATOM 682 CA LEU A 45 8.978 9.061 0.231 1.00 0.00 C ATOM 683 C LEU A 45 10.370 9.397 -0.296 1.00 0.00 C ATOM 684 O LEU A 45 11.346 8.847 0.196 1.00 0.00 O ATOM 685 CB LEU A 45 8.472 7.865 -0.591 1.00 0.00 C ATOM 686 CG LEU A 45 7.195 7.134 -0.146 1.00 0.00 C ATOM 687 CD1 LEU A 45 7.525 5.665 0.112 1.00 0.00 C ATOM 688 CD2 LEU A 45 6.547 7.642 1.153 1.00 0.00 C ATOM 0 H LEU A 45 7.205 9.985 -0.374 1.00 0.00 H new ATOM 0 HA LEU A 45 9.035 8.816 1.292 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.312 8.213 -1.611 1.00 0.00 H new ATOM 0 HB3 LEU A 45 9.275 7.129 -0.628 1.00 0.00 H new ATOM 0 HG LEU A 45 6.492 7.309 -0.960 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.624 5.140 0.428 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.907 5.212 -0.803 1.00 0.00 H new ATOM 0 HD13 LEU A 45 8.280 5.594 0.895 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.655 7.054 1.369 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.255 7.543 1.976 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.271 8.690 1.036 1.00 0.00 H new ATOM 700 N GLU A 46 10.496 10.272 -1.289 1.00 0.00 N ATOM 701 CA GLU A 46 11.760 10.657 -1.864 1.00 0.00 C ATOM 702 C GLU A 46 12.375 11.888 -1.194 1.00 0.00 C ATOM 703 O GLU A 46 13.575 12.132 -1.328 1.00 0.00 O ATOM 704 CB GLU A 46 11.510 10.892 -3.345 1.00 0.00 C ATOM 705 CG GLU A 46 10.395 11.868 -3.721 1.00 0.00 C ATOM 706 CD GLU A 46 10.422 12.358 -5.166 1.00 0.00 C ATOM 707 OE1 GLU A 46 9.851 13.449 -5.419 1.00 0.00 O ATOM 708 OE2 GLU A 46 10.912 11.637 -6.064 1.00 0.00 O ATOM 0 H GLU A 46 9.697 10.738 -1.719 1.00 0.00 H new ATOM 0 HA GLU A 46 12.492 9.865 -1.707 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.437 11.251 -3.791 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.286 9.930 -3.806 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.435 11.387 -3.535 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.452 12.733 -3.060 1.00 0.00 H new ATOM 715 N GLN A 47 11.551 12.649 -0.483 1.00 0.00 N ATOM 716 CA GLN A 47 11.876 13.854 0.246 1.00 0.00 C ATOM 717 C GLN A 47 12.362 13.576 1.667 1.00 0.00 C ATOM 718 O GLN A 47 13.283 14.253 2.129 1.00 0.00 O ATOM 719 CB GLN A 47 10.569 14.669 0.346 1.00 0.00 C ATOM 720 CG GLN A 47 10.650 15.839 1.326 1.00 0.00 C ATOM 721 CD GLN A 47 9.397 16.709 1.357 1.00 0.00 C ATOM 722 OE1 GLN A 47 8.292 16.220 1.574 1.00 0.00 O ATOM 723 NE2 GLN A 47 9.531 18.017 1.221 1.00 0.00 N ATOM 0 H GLN A 47 10.562 12.415 -0.399 1.00 0.00 H new ATOM 0 HA GLN A 47 12.679 14.374 -0.277 1.00 0.00 H new ATOM 0 HB2 GLN A 47 10.313 15.051 -0.642 1.00 0.00 H new ATOM 0 HB3 GLN A 47 9.760 14.006 0.651 1.00 0.00 H new ATOM 0 HG2 GLN A 47 10.834 15.449 2.327 1.00 0.00 H new ATOM 0 HG3 GLN A 47 11.506 16.461 1.064 1.00 0.00 H new ATOM 0 HE21 GLN A 47 10.451 18.419 1.041 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.715 18.624 1.296 1.00 0.00 H new ATOM 732 N SER A 48 11.725 12.618 2.343 1.00 0.00 N ATOM 733 CA SER A 48 12.004 12.282 3.736 1.00 0.00 C ATOM 734 C SER A 48 12.005 10.779 4.026 1.00 0.00 C ATOM 735 O SER A 48 12.124 10.378 5.188 1.00 0.00 O ATOM 736 CB SER A 48 10.932 13.018 4.557 1.00 0.00 C ATOM 737 OG SER A 48 11.195 13.043 5.943 1.00 0.00 O ATOM 0 H SER A 48 10.989 12.046 1.929 1.00 0.00 H new ATOM 0 HA SER A 48 13.015 12.593 3.999 1.00 0.00 H new ATOM 0 HB2 SER A 48 10.849 14.042 4.194 1.00 0.00 H new ATOM 0 HB3 SER A 48 9.967 12.541 4.388 1.00 0.00 H new ATOM 0 HG SER A 48 11.607 12.196 6.213 1.00 0.00 H new ATOM 743 N GLY A 49 11.849 9.928 3.016 1.00 0.00 N ATOM 744 CA GLY A 49 11.868 8.494 3.227 1.00 0.00 C ATOM 745 C GLY A 49 10.663 7.923 3.968 1.00 0.00 C ATOM 746 O GLY A 49 9.677 8.604 4.271 1.00 0.00 O ATOM 0 H GLY A 49 11.709 10.211 2.046 1.00 0.00 H new ATOM 0 HA2 GLY A 49 11.942 8.003 2.257 1.00 0.00 H new ATOM 0 HA3 GLY A 49 12.770 8.238 3.784 1.00 0.00 H new ATOM 750 N LEU A 50 10.750 6.617 4.215 1.00 0.00 N ATOM 751 CA LEU A 50 9.765 5.798 4.909 1.00 0.00 C ATOM 752 C LEU A 50 9.618 6.326 6.347 1.00 0.00 C ATOM 753 O LEU A 50 10.627 6.402 7.052 1.00 0.00 O ATOM 754 CB LEU A 50 10.249 4.334 4.851 1.00 0.00 C ATOM 755 CG LEU A 50 9.205 3.247 5.149 1.00 0.00 C ATOM 756 CD1 LEU A 50 8.721 3.212 6.597 1.00 0.00 C ATOM 757 CD2 LEU A 50 8.018 3.345 4.185 1.00 0.00 C ATOM 0 H LEU A 50 11.559 6.073 3.917 1.00 0.00 H new ATOM 0 HA LEU A 50 8.780 5.846 4.446 1.00 0.00 H new ATOM 0 HB2 LEU A 50 10.657 4.150 3.857 1.00 0.00 H new ATOM 0 HB3 LEU A 50 11.070 4.219 5.559 1.00 0.00 H new ATOM 0 HG LEU A 50 9.725 2.302 4.991 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.987 2.415 6.716 1.00 0.00 H new ATOM 0 HD12 LEU A 50 9.567 3.028 7.259 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.263 4.168 6.851 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.294 2.564 4.418 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.545 4.321 4.289 1.00 0.00 H new ATOM 0 HD23 LEU A 50 8.370 3.220 3.161 1.00 0.00 H new ATOM 769 N PRO A 51 8.410 6.698 6.809 1.00 0.00 N ATOM 770 CA PRO A 51 8.225 7.238 8.150 1.00 0.00 C ATOM 771 C PRO A 51 8.204 6.204 9.274 1.00 0.00 C ATOM 772 O PRO A 51 7.717 5.081 9.106 1.00 0.00 O ATOM 773 CB PRO A 51 6.867 7.924 8.092 1.00 0.00 C ATOM 774 CG PRO A 51 6.077 7.094 7.090 1.00 0.00 C ATOM 775 CD PRO A 51 7.138 6.657 6.093 1.00 0.00 C ATOM 0 HA PRO A 51 9.069 7.885 8.391 1.00 0.00 H new ATOM 0 HB2 PRO A 51 6.384 7.936 9.069 1.00 0.00 H new ATOM 0 HB3 PRO A 51 6.957 8.961 7.768 1.00 0.00 H new ATOM 0 HG2 PRO A 51 5.594 6.240 7.565 1.00 0.00 H new ATOM 0 HG3 PRO A 51 5.291 7.679 6.612 1.00 0.00 H new ATOM 0 HD2 PRO A 51 6.933 5.653 5.721 1.00 0.00 H new ATOM 0 HD3 PRO A 51 7.156 7.320 5.228 1.00 0.00 H new ATOM 783 N ALA A 52 8.602 6.654 10.469 1.00 0.00 N ATOM 784 CA ALA A 52 8.644 5.841 11.678 1.00 0.00 C ATOM 785 C ALA A 52 7.274 5.212 11.953 1.00 0.00 C ATOM 786 O ALA A 52 7.189 4.024 12.257 1.00 0.00 O ATOM 787 CB ALA A 52 9.098 6.691 12.867 1.00 0.00 C ATOM 0 H ALA A 52 8.909 7.615 10.620 1.00 0.00 H new ATOM 0 HA ALA A 52 9.363 5.035 11.532 1.00 0.00 H new ATOM 0 HB1 ALA A 52 9.126 6.074 13.765 1.00 0.00 H new ATOM 0 HB2 ALA A 52 10.093 7.091 12.670 1.00 0.00 H new ATOM 0 HB3 ALA A 52 8.399 7.514 13.014 1.00 0.00 H new ATOM 793 N LYS A 53 6.192 5.973 11.732 1.00 0.00 N ATOM 794 CA LYS A 53 4.812 5.542 11.952 1.00 0.00 C ATOM 795 C LYS A 53 4.468 4.182 11.329 1.00 0.00 C ATOM 796 O LYS A 53 3.525 3.565 11.831 1.00 0.00 O ATOM 797 CB LYS A 53 3.818 6.663 11.562 1.00 0.00 C ATOM 798 CG LYS A 53 3.656 6.854 10.049 1.00 0.00 C ATOM 799 CD LYS A 53 2.960 8.164 9.646 1.00 0.00 C ATOM 800 CE LYS A 53 2.857 8.272 8.113 1.00 0.00 C ATOM 801 NZ LYS A 53 1.768 9.164 7.660 1.00 0.00 N ATOM 0 H LYS A 53 6.259 6.930 11.386 1.00 0.00 H new ATOM 0 HA LYS A 53 4.709 5.366 13.023 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.844 6.438 11.996 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.154 7.602 12.003 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.641 6.822 9.583 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.086 6.016 9.648 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.964 8.204 10.087 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.517 9.014 10.040 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.805 8.637 7.717 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.700 7.277 7.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.763 9.206 6.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.855 8.796 7.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.918 10.118 8.045 1.00 0.00 H new ATOM 815 N LEU A 54 5.152 3.720 10.265 1.00 0.00 N ATOM 816 CA LEU A 54 4.910 2.430 9.619 1.00 0.00 C ATOM 817 C LEU A 54 6.248 1.766 9.256 1.00 0.00 C ATOM 818 O LEU A 54 6.306 0.934 8.357 1.00 0.00 O ATOM 819 CB LEU A 54 4.145 2.694 8.299 1.00 0.00 C ATOM 820 CG LEU A 54 2.798 3.437 8.425 1.00 0.00 C ATOM 821 CD1 LEU A 54 2.732 4.642 7.486 1.00 0.00 C ATOM 822 CD2 LEU A 54 1.607 2.516 8.191 1.00 0.00 C ATOM 0 H LEU A 54 5.904 4.251 9.826 1.00 0.00 H new ATOM 0 HA LEU A 54 4.346 1.784 10.292 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.793 3.270 7.638 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.963 1.736 7.812 1.00 0.00 H new ATOM 0 HG LEU A 54 2.740 3.797 9.452 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.770 5.141 7.602 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.534 5.339 7.731 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.845 4.307 6.455 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.682 3.085 8.290 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.666 2.092 7.189 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.619 1.712 8.926 1.00 0.00 H new ATOM 834 N ARG A 55 7.284 1.922 10.073 1.00 0.00 N ATOM 835 CA ARG A 55 8.628 1.373 9.846 1.00 0.00 C ATOM 836 C ARG A 55 8.825 -0.120 10.139 1.00 0.00 C ATOM 837 O ARG A 55 9.969 -0.557 10.235 1.00 0.00 O ATOM 838 CB ARG A 55 9.613 2.223 10.655 1.00 0.00 C ATOM 839 CG ARG A 55 9.516 1.934 12.168 1.00 0.00 C ATOM 840 CD ARG A 55 10.821 1.311 12.660 1.00 0.00 C ATOM 841 NE ARG A 55 10.651 0.546 13.896 1.00 0.00 N ATOM 842 CZ ARG A 55 11.616 -0.201 14.440 1.00 0.00 C ATOM 843 NH1 ARG A 55 12.818 -0.274 13.869 1.00 0.00 N ATOM 844 NH2 ARG A 55 11.362 -0.863 15.561 1.00 0.00 N ATOM 0 H ARG A 55 7.215 2.451 10.942 1.00 0.00 H new ATOM 0 HA ARG A 55 8.804 1.428 8.772 1.00 0.00 H new ATOM 0 HB2 ARG A 55 10.629 2.026 10.312 1.00 0.00 H new ATOM 0 HB3 ARG A 55 9.415 3.279 10.474 1.00 0.00 H new ATOM 0 HG2 ARG A 55 9.315 2.857 12.712 1.00 0.00 H new ATOM 0 HG3 ARG A 55 8.683 1.260 12.366 1.00 0.00 H new ATOM 0 HD2 ARG A 55 11.222 0.657 11.885 1.00 0.00 H new ATOM 0 HD3 ARG A 55 11.556 2.099 12.824 1.00 0.00 H new ATOM 0 HE ARG A 55 9.747 0.585 14.367 1.00 0.00 H new ATOM 0 HH11 ARG A 55 13.007 0.243 13.010 1.00 0.00 H new ATOM 0 HH12 ARG A 55 13.549 -0.847 14.291 1.00 0.00 H new ATOM 0 HH21 ARG A 55 10.441 -0.797 15.995 1.00 0.00 H new ATOM 0 HH22 ARG A 55 12.088 -1.438 15.989 1.00 0.00 H new ATOM 858 N HIS A 56 7.750 -0.873 10.356 1.00 0.00 N ATOM 859 CA HIS A 56 7.763 -2.307 10.660 1.00 0.00 C ATOM 860 C HIS A 56 8.776 -3.106 9.821 1.00 0.00 C ATOM 861 O HIS A 56 9.096 -2.759 8.688 1.00 0.00 O ATOM 862 CB HIS A 56 6.340 -2.880 10.556 1.00 0.00 C ATOM 863 CG HIS A 56 5.543 -2.657 11.819 1.00 0.00 C ATOM 864 ND1 HIS A 56 5.164 -3.641 12.704 1.00 0.00 N ATOM 865 CD2 HIS A 56 5.147 -1.455 12.342 1.00 0.00 C ATOM 866 CE1 HIS A 56 4.560 -3.043 13.745 1.00 0.00 C ATOM 867 NE2 HIS A 56 4.534 -1.710 13.572 1.00 0.00 N ATOM 0 H HIS A 56 6.806 -0.488 10.324 1.00 0.00 H new ATOM 0 HA HIS A 56 8.109 -2.415 11.688 1.00 0.00 H new ATOM 0 HB2 HIS A 56 5.824 -2.416 9.716 1.00 0.00 H new ATOM 0 HB3 HIS A 56 6.394 -3.948 10.346 1.00 0.00 H new ATOM 0 HD2 HIS A 56 5.284 -0.485 11.886 1.00 0.00 H new ATOM 0 HE1 HIS A 56 4.153 -3.561 14.601 1.00 0.00 H new ATOM 0 HE2 HIS A 56 4.143 -1.020 14.213 1.00 0.00 H new ATOM 875 N GLU A 57 9.226 -4.229 10.383 1.00 0.00 N ATOM 876 CA GLU A 57 10.211 -5.173 9.845 1.00 0.00 C ATOM 877 C GLU A 57 9.881 -5.735 8.451 1.00 0.00 C ATOM 878 O GLU A 57 10.736 -6.312 7.777 1.00 0.00 O ATOM 879 CB GLU A 57 10.329 -6.308 10.880 1.00 0.00 C ATOM 880 CG GLU A 57 11.732 -6.911 10.979 1.00 0.00 C ATOM 881 CD GLU A 57 11.804 -7.897 12.147 1.00 0.00 C ATOM 882 OE1 GLU A 57 11.913 -9.117 11.893 1.00 0.00 O ATOM 883 OE2 GLU A 57 11.745 -7.448 13.321 1.00 0.00 O ATOM 0 H GLU A 57 8.886 -4.527 11.297 1.00 0.00 H new ATOM 0 HA GLU A 57 11.150 -4.641 9.691 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.038 -5.926 11.859 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.622 -7.097 10.622 1.00 0.00 H new ATOM 0 HG2 GLU A 57 11.983 -7.420 10.048 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.467 -6.118 11.117 1.00 0.00 H new ATOM 890 N GLN A 58 8.630 -5.609 8.025 1.00 0.00 N ATOM 891 CA GLN A 58 8.071 -6.045 6.760 1.00 0.00 C ATOM 892 C GLN A 58 7.039 -4.987 6.420 1.00 0.00 C ATOM 893 O GLN A 58 6.220 -4.607 7.266 1.00 0.00 O ATOM 894 CB GLN A 58 7.402 -7.418 6.942 1.00 0.00 C ATOM 895 CG GLN A 58 8.382 -8.589 7.187 1.00 0.00 C ATOM 896 CD GLN A 58 7.649 -9.833 7.685 1.00 0.00 C ATOM 897 OE1 GLN A 58 6.788 -9.733 8.556 1.00 0.00 O ATOM 898 NE2 GLN A 58 7.910 -11.017 7.159 1.00 0.00 N ATOM 0 H GLN A 58 7.924 -5.160 8.609 1.00 0.00 H new ATOM 0 HA GLN A 58 8.819 -6.153 5.975 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.709 -7.361 7.782 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.809 -7.638 6.054 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.911 -8.822 6.263 1.00 0.00 H new ATOM 0 HG3 GLN A 58 9.133 -8.290 7.918 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.623 -11.108 6.436 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.398 -11.840 7.476 1.00 0.00 H new ATOM 907 N ILE A 59 7.122 -4.462 5.206 1.00 0.00 N ATOM 908 CA ILE A 59 6.210 -3.454 4.727 1.00 0.00 C ATOM 909 C ILE A 59 5.735 -3.844 3.320 1.00 0.00 C ATOM 910 O ILE A 59 6.175 -4.833 2.741 1.00 0.00 O ATOM 911 CB ILE A 59 6.798 -2.031 4.859 1.00 0.00 C ATOM 912 CG1 ILE A 59 7.676 -1.596 3.675 1.00 0.00 C ATOM 913 CG2 ILE A 59 7.550 -1.676 6.168 1.00 0.00 C ATOM 914 CD1 ILE A 59 7.378 -0.171 3.221 1.00 0.00 C ATOM 0 H ILE A 59 7.833 -4.731 4.526 1.00 0.00 H new ATOM 0 HA ILE A 59 5.321 -3.413 5.357 1.00 0.00 H new ATOM 0 HB ILE A 59 5.866 -1.467 4.875 1.00 0.00 H new ATOM 0 HG12 ILE A 59 8.726 -1.672 3.958 1.00 0.00 H new ATOM 0 HG13 ILE A 59 7.520 -2.280 2.841 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.905 -0.647 6.116 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.874 -1.784 7.017 1.00 0.00 H new ATOM 0 HG23 ILE A 59 8.400 -2.347 6.293 1.00 0.00 H new ATOM 0 HD11 ILE A 59 8.025 0.087 2.383 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.336 -0.099 2.910 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.560 0.519 4.045 1.00 0.00 H new ATOM 926 N ILE A 60 4.862 -3.040 2.734 1.00 0.00 N ATOM 927 CA ILE A 60 4.253 -3.210 1.429 1.00 0.00 C ATOM 928 C ILE A 60 4.079 -1.810 0.818 1.00 0.00 C ATOM 929 O ILE A 60 3.913 -0.822 1.534 1.00 0.00 O ATOM 930 CB ILE A 60 2.914 -3.976 1.631 1.00 0.00 C ATOM 931 CG1 ILE A 60 3.164 -5.415 2.149 1.00 0.00 C ATOM 932 CG2 ILE A 60 2.122 -4.010 0.331 1.00 0.00 C ATOM 933 CD1 ILE A 60 2.089 -6.466 1.839 1.00 0.00 C ATOM 0 H ILE A 60 4.538 -2.189 3.194 1.00 0.00 H new ATOM 0 HA ILE A 60 4.859 -3.796 0.737 1.00 0.00 H new ATOM 0 HB ILE A 60 2.332 -3.444 2.384 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.109 -5.765 1.733 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.289 -5.368 3.231 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.188 -4.549 0.488 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.904 -2.991 0.011 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.707 -4.514 -0.438 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.388 -7.427 2.257 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.141 -6.158 2.280 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.973 -6.561 0.759 1.00 0.00 H new ATOM 945 N PHE A 61 4.063 -1.726 -0.512 1.00 0.00 N ATOM 946 CA PHE A 61 3.909 -0.494 -1.269 1.00 0.00 C ATOM 947 C PHE A 61 2.867 -0.622 -2.359 1.00 0.00 C ATOM 948 O PHE A 61 2.983 -1.548 -3.164 1.00 0.00 O ATOM 949 CB PHE A 61 5.239 -0.213 -1.985 1.00 0.00 C ATOM 950 CG PHE A 61 6.226 0.556 -1.151 1.00 0.00 C ATOM 951 CD1 PHE A 61 5.821 1.707 -0.458 1.00 0.00 C ATOM 952 CD2 PHE A 61 7.551 0.119 -1.059 1.00 0.00 C ATOM 953 CE1 PHE A 61 6.727 2.375 0.374 1.00 0.00 C ATOM 954 CE2 PHE A 61 8.465 0.816 -0.264 1.00 0.00 C ATOM 955 CZ PHE A 61 8.063 1.959 0.441 1.00 0.00 C ATOM 0 H PHE A 61 4.161 -2.547 -1.109 1.00 0.00 H new ATOM 0 HA PHE A 61 3.613 0.290 -0.572 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.689 -1.161 -2.282 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.038 0.345 -2.900 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.812 2.077 -0.566 1.00 0.00 H new ATOM 0 HD2 PHE A 61 7.869 -0.758 -1.603 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.395 3.214 0.967 1.00 0.00 H new ATOM 0 HE2 PHE A 61 9.486 0.472 -0.192 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.777 2.514 1.031 1.00 0.00 H new ATOM 965 N HIS A 62 1.854 0.248 -2.410 1.00 0.00 N ATOM 966 CA HIS A 62 0.880 0.182 -3.494 1.00 0.00 C ATOM 967 C HIS A 62 0.423 1.561 -3.954 1.00 0.00 C ATOM 968 O HIS A 62 0.835 2.580 -3.401 1.00 0.00 O ATOM 969 CB HIS A 62 -0.242 -0.856 -3.300 1.00 0.00 C ATOM 970 CG HIS A 62 -0.388 -1.753 -4.503 1.00 0.00 C ATOM 971 ND1 HIS A 62 0.517 -1.929 -5.532 1.00 0.00 N ATOM 972 CD2 HIS A 62 -1.412 -2.625 -4.716 1.00 0.00 C ATOM 973 CE1 HIS A 62 0.040 -2.862 -6.357 1.00 0.00 C ATOM 974 NE2 HIS A 62 -1.128 -3.306 -5.898 1.00 0.00 N ATOM 0 H HIS A 62 1.692 0.989 -1.728 1.00 0.00 H new ATOM 0 HA HIS A 62 1.421 -0.233 -4.345 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -0.029 -1.461 -2.419 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -1.185 -0.342 -3.113 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -2.280 -2.763 -4.088 1.00 0.00 H new ATOM 0 HE1 HIS A 62 0.526 -3.204 -7.258 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -1.712 -4.019 -6.335 1.00 0.00 H new ATOM 982 N CYS A 63 -0.286 1.591 -5.084 1.00 0.00 N ATOM 983 CA CYS A 63 -0.795 2.810 -5.692 1.00 0.00 C ATOM 984 C CYS A 63 -2.072 2.507 -6.493 1.00 0.00 C ATOM 985 O CYS A 63 -2.621 1.408 -6.369 1.00 0.00 O ATOM 986 CB CYS A 63 0.323 3.462 -6.521 1.00 0.00 C ATOM 987 SG CYS A 63 1.005 2.301 -7.729 1.00 0.00 S ATOM 0 H CYS A 63 -0.524 0.749 -5.608 1.00 0.00 H new ATOM 0 HA CYS A 63 -1.087 3.534 -4.931 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -0.068 4.339 -7.037 1.00 0.00 H new ATOM 0 HB3 CYS A 63 1.116 3.808 -5.858 1.00 0.00 H new ATOM 0 HG CYS A 63 1.225 1.156 -7.154 1.00 0.00 H new ATOM 1073 N THR A 69 2.982 0.203 -9.770 1.00 0.00 N ATOM 1074 CA THR A 69 3.906 0.348 -8.649 1.00 0.00 C ATOM 1075 C THR A 69 5.337 -0.038 -9.037 1.00 0.00 C ATOM 1076 O THR A 69 6.294 0.501 -8.481 1.00 0.00 O ATOM 1077 CB THR A 69 3.364 -0.528 -7.508 1.00 0.00 C ATOM 1078 OG1 THR A 69 1.951 -0.547 -7.545 1.00 0.00 O ATOM 1079 CG2 THR A 69 3.729 -0.083 -6.097 1.00 0.00 C ATOM 0 HA THR A 69 3.964 1.390 -8.334 1.00 0.00 H new ATOM 0 HB THR A 69 3.829 -1.497 -7.688 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.604 -0.801 -6.664 1.00 0.00 H new ATOM 0 HG21 THR A 69 3.294 -0.773 -5.374 1.00 0.00 H new ATOM 0 HG22 THR A 69 4.813 -0.077 -5.986 1.00 0.00 H new ATOM 0 HG23 THR A 69 3.341 0.920 -5.920 1.00 0.00 H new ATOM 1087 N SER A 70 5.474 -0.958 -9.995 1.00 0.00 N ATOM 1088 CA SER A 70 6.747 -1.440 -10.501 1.00 0.00 C ATOM 1089 C SER A 70 7.589 -0.317 -11.121 1.00 0.00 C ATOM 1090 O SER A 70 8.817 -0.384 -11.100 1.00 0.00 O ATOM 1091 CB SER A 70 6.468 -2.543 -11.522 1.00 0.00 C ATOM 1092 OG SER A 70 5.446 -2.156 -12.427 1.00 0.00 O ATOM 0 H SER A 70 4.673 -1.397 -10.449 1.00 0.00 H new ATOM 0 HA SER A 70 7.333 -1.833 -9.670 1.00 0.00 H new ATOM 0 HB2 SER A 70 7.380 -2.770 -12.074 1.00 0.00 H new ATOM 0 HB3 SER A 70 6.173 -3.456 -11.004 1.00 0.00 H new ATOM 0 HG SER A 70 5.288 -2.878 -13.070 1.00 0.00 H new ATOM 1098 N ASN A 71 6.924 0.743 -11.604 1.00 0.00 N ATOM 1099 CA ASN A 71 7.482 1.933 -12.264 1.00 0.00 C ATOM 1100 C ASN A 71 8.807 2.398 -11.698 1.00 0.00 C ATOM 1101 O ASN A 71 9.728 2.671 -12.464 1.00 0.00 O ATOM 1102 CB ASN A 71 6.454 3.063 -12.237 1.00 0.00 C ATOM 1103 CG ASN A 71 7.015 4.360 -12.802 1.00 0.00 C ATOM 1104 OD1 ASN A 71 7.309 4.465 -13.991 1.00 0.00 O ATOM 1105 ND2 ASN A 71 7.169 5.371 -11.971 1.00 0.00 N ATOM 0 H ASN A 71 5.907 0.795 -11.539 1.00 0.00 H new ATOM 0 HA ASN A 71 7.699 1.642 -13.292 1.00 0.00 H new ATOM 0 HB2 ASN A 71 5.576 2.768 -12.811 1.00 0.00 H new ATOM 0 HB3 ASN A 71 6.124 3.228 -11.211 1.00 0.00 H new ATOM 0 HD21 ASN A 71 7.538 6.259 -12.311 1.00 0.00 H new ATOM 0 HD22 ASN A 71 6.920 5.265 -10.988 1.00 0.00 H new ATOM 1112 N ASN A 72 8.887 2.560 -10.383 1.00 0.00 N ATOM 1113 CA ASN A 72 10.086 2.999 -9.672 1.00 0.00 C ATOM 1114 C ASN A 72 10.221 2.122 -8.425 1.00 0.00 C ATOM 1115 O ASN A 72 10.692 2.573 -7.379 1.00 0.00 O ATOM 1116 CB ASN A 72 10.001 4.506 -9.343 1.00 0.00 C ATOM 1117 CG ASN A 72 10.641 5.448 -10.359 1.00 0.00 C ATOM 1118 OD1 ASN A 72 11.289 6.420 -9.970 1.00 0.00 O ATOM 1119 ND2 ASN A 72 10.466 5.229 -11.651 1.00 0.00 N ATOM 0 H ASN A 72 8.097 2.385 -9.762 1.00 0.00 H new ATOM 0 HA ASN A 72 10.979 2.883 -10.286 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.950 4.776 -9.238 1.00 0.00 H new ATOM 0 HB3 ASN A 72 10.472 4.674 -8.374 1.00 0.00 H new ATOM 0 HD21 ASN A 72 10.870 5.868 -12.336 1.00 0.00 H new ATOM 0 HD22 ASN A 72 9.928 4.421 -11.963 1.00 0.00 H new ATOM 1126 N ALA A 73 9.753 0.872 -8.505 1.00 0.00 N ATOM 1127 CA ALA A 73 9.820 -0.066 -7.391 1.00 0.00 C ATOM 1128 C ALA A 73 11.246 -0.244 -6.871 1.00 0.00 C ATOM 1129 O ALA A 73 11.424 -0.453 -5.676 1.00 0.00 O ATOM 1130 CB ALA A 73 9.202 -1.396 -7.794 1.00 0.00 C ATOM 0 H ALA A 73 9.319 0.487 -9.344 1.00 0.00 H new ATOM 0 HA ALA A 73 9.244 0.351 -6.565 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.256 -2.091 -6.956 1.00 0.00 H new ATOM 0 HB2 ALA A 73 8.159 -1.243 -8.072 1.00 0.00 H new ATOM 0 HB3 ALA A 73 9.747 -1.808 -8.643 1.00 0.00 H new ATOM 1136 N ASP A 74 12.253 -0.099 -7.733 1.00 0.00 N ATOM 1137 CA ASP A 74 13.665 -0.225 -7.371 1.00 0.00 C ATOM 1138 C ASP A 74 13.996 0.810 -6.289 1.00 0.00 C ATOM 1139 O ASP A 74 14.613 0.485 -5.268 1.00 0.00 O ATOM 1140 CB ASP A 74 14.541 -0.037 -8.615 1.00 0.00 C ATOM 1141 CG ASP A 74 14.479 -1.251 -9.544 1.00 0.00 C ATOM 1142 OD1 ASP A 74 15.442 -2.049 -9.525 1.00 0.00 O ATOM 1143 OD2 ASP A 74 13.471 -1.387 -10.281 1.00 0.00 O ATOM 0 H ASP A 74 12.107 0.113 -8.720 1.00 0.00 H new ATOM 0 HA ASP A 74 13.865 -1.220 -6.973 1.00 0.00 H new ATOM 0 HB2 ASP A 74 14.217 0.852 -9.157 1.00 0.00 H new ATOM 0 HB3 ASP A 74 15.573 0.135 -8.310 1.00 0.00 H new ATOM 1148 N LYS A 75 13.548 2.052 -6.509 1.00 0.00 N ATOM 1149 CA LYS A 75 13.705 3.198 -5.630 1.00 0.00 C ATOM 1150 C LYS A 75 12.916 2.935 -4.348 1.00 0.00 C ATOM 1151 O LYS A 75 13.456 3.095 -3.257 1.00 0.00 O ATOM 1152 CB LYS A 75 13.189 4.465 -6.364 1.00 0.00 C ATOM 1153 CG LYS A 75 14.243 5.561 -6.558 1.00 0.00 C ATOM 1154 CD LYS A 75 14.650 6.199 -5.227 1.00 0.00 C ATOM 1155 CE LYS A 75 15.657 7.331 -5.476 1.00 0.00 C ATOM 1156 NZ LYS A 75 16.205 7.900 -4.226 1.00 0.00 N ATOM 0 H LYS A 75 13.037 2.289 -7.359 1.00 0.00 H new ATOM 0 HA LYS A 75 14.751 3.356 -5.369 1.00 0.00 H new ATOM 0 HB2 LYS A 75 12.804 4.172 -7.341 1.00 0.00 H new ATOM 0 HB3 LYS A 75 12.352 4.879 -5.802 1.00 0.00 H new ATOM 0 HG2 LYS A 75 15.123 5.138 -7.042 1.00 0.00 H new ATOM 0 HG3 LYS A 75 13.851 6.329 -7.225 1.00 0.00 H new ATOM 0 HD2 LYS A 75 13.770 6.590 -4.717 1.00 0.00 H new ATOM 0 HD3 LYS A 75 15.090 5.447 -4.573 1.00 0.00 H new ATOM 0 HE2 LYS A 75 16.477 6.953 -6.087 1.00 0.00 H new ATOM 0 HE3 LYS A 75 15.172 8.122 -6.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 16.878 8.659 -4.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 15.429 8.287 -3.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 16.694 7.154 -3.690 1.00 0.00 H new ATOM 1170 N LEU A 76 11.643 2.528 -4.475 1.00 0.00 N ATOM 1171 CA LEU A 76 10.763 2.243 -3.337 1.00 0.00 C ATOM 1172 C LEU A 76 11.397 1.211 -2.403 1.00 0.00 C ATOM 1173 O LEU A 76 11.400 1.406 -1.192 1.00 0.00 O ATOM 1174 CB LEU A 76 9.376 1.742 -3.785 1.00 0.00 C ATOM 1175 CG LEU A 76 8.501 2.739 -4.559 1.00 0.00 C ATOM 1176 CD1 LEU A 76 7.223 2.046 -5.049 1.00 0.00 C ATOM 1177 CD2 LEU A 76 8.107 3.942 -3.694 1.00 0.00 C ATOM 0 H LEU A 76 11.194 2.387 -5.380 1.00 0.00 H new ATOM 0 HA LEU A 76 10.629 3.184 -2.804 1.00 0.00 H new ATOM 0 HB2 LEU A 76 9.518 0.859 -4.408 1.00 0.00 H new ATOM 0 HB3 LEU A 76 8.827 1.423 -2.899 1.00 0.00 H new ATOM 0 HG LEU A 76 9.089 3.096 -5.405 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.609 2.761 -5.597 1.00 0.00 H new ATOM 0 HD12 LEU A 76 7.487 1.217 -5.705 1.00 0.00 H new ATOM 0 HD13 LEU A 76 6.664 1.667 -4.194 1.00 0.00 H new ATOM 0 HD21 LEU A 76 7.489 4.623 -4.278 1.00 0.00 H new ATOM 0 HD22 LEU A 76 7.546 3.597 -2.825 1.00 0.00 H new ATOM 0 HD23 LEU A 76 9.006 4.462 -3.362 1.00 0.00 H new ATOM 1189 N ALA A 77 11.939 0.124 -2.952 1.00 0.00 N ATOM 1190 CA ALA A 77 12.577 -0.938 -2.191 1.00 0.00 C ATOM 1191 C ALA A 77 13.679 -0.353 -1.304 1.00 0.00 C ATOM 1192 O ALA A 77 13.626 -0.518 -0.086 1.00 0.00 O ATOM 1193 CB ALA A 77 13.104 -2.016 -3.137 1.00 0.00 C ATOM 0 H ALA A 77 11.944 -0.042 -3.958 1.00 0.00 H new ATOM 0 HA ALA A 77 11.847 -1.412 -1.535 1.00 0.00 H new ATOM 0 HB1 ALA A 77 13.580 -2.807 -2.558 1.00 0.00 H new ATOM 0 HB2 ALA A 77 12.276 -2.434 -3.710 1.00 0.00 H new ATOM 0 HB3 ALA A 77 13.832 -1.577 -3.819 1.00 0.00 H new ATOM 1199 N ALA A 78 14.637 0.372 -1.893 1.00 0.00 N ATOM 1200 CA ALA A 78 15.740 0.984 -1.157 1.00 0.00 C ATOM 1201 C ALA A 78 15.228 1.951 -0.084 1.00 0.00 C ATOM 1202 O ALA A 78 15.798 2.015 1.009 1.00 0.00 O ATOM 1203 CB ALA A 78 16.676 1.711 -2.129 1.00 0.00 C ATOM 0 H ALA A 78 14.666 0.549 -2.897 1.00 0.00 H new ATOM 0 HA ALA A 78 16.293 0.192 -0.652 1.00 0.00 H new ATOM 0 HB1 ALA A 78 17.496 2.165 -1.573 1.00 0.00 H new ATOM 0 HB2 ALA A 78 17.077 0.998 -2.850 1.00 0.00 H new ATOM 0 HB3 ALA A 78 16.121 2.487 -2.656 1.00 0.00 H new ATOM 1209 N ILE A 79 14.148 2.678 -0.380 1.00 0.00 N ATOM 1210 CA ILE A 79 13.502 3.647 0.498 1.00 0.00 C ATOM 1211 C ILE A 79 12.997 3.006 1.793 1.00 0.00 C ATOM 1212 O ILE A 79 13.028 3.684 2.823 1.00 0.00 O ATOM 1213 CB ILE A 79 12.400 4.379 -0.311 1.00 0.00 C ATOM 1214 CG1 ILE A 79 13.036 5.596 -1.003 1.00 0.00 C ATOM 1215 CG2 ILE A 79 11.143 4.773 0.483 1.00 0.00 C ATOM 1216 CD1 ILE A 79 12.154 6.196 -2.101 1.00 0.00 C ATOM 0 H ILE A 79 13.680 2.601 -1.283 1.00 0.00 H new ATOM 0 HA ILE A 79 14.227 4.388 0.835 1.00 0.00 H new ATOM 0 HB ILE A 79 12.019 3.665 -1.041 1.00 0.00 H new ATOM 0 HG12 ILE A 79 13.246 6.362 -0.256 1.00 0.00 H new ATOM 0 HG13 ILE A 79 13.992 5.301 -1.435 1.00 0.00 H new ATOM 0 HG21 ILE A 79 10.439 5.278 -0.178 1.00 0.00 H new ATOM 0 HG22 ILE A 79 10.677 3.878 0.894 1.00 0.00 H new ATOM 0 HG23 ILE A 79 11.422 5.443 1.296 1.00 0.00 H new ATOM 0 HD11 ILE A 79 12.661 7.051 -2.549 1.00 0.00 H new ATOM 0 HD12 ILE A 79 11.965 5.444 -2.867 1.00 0.00 H new ATOM 0 HD13 ILE A 79 11.207 6.521 -1.670 1.00 0.00 H new ATOM 1228 N ALA A 80 12.575 1.738 1.784 1.00 0.00 N ATOM 1229 CA ALA A 80 12.064 1.071 2.980 1.00 0.00 C ATOM 1230 C ALA A 80 12.967 -0.065 3.479 1.00 0.00 C ATOM 1231 O ALA A 80 12.691 -0.641 4.532 1.00 0.00 O ATOM 1232 CB ALA A 80 10.620 0.701 2.705 1.00 0.00 C ATOM 0 H ALA A 80 12.579 1.150 0.951 1.00 0.00 H new ATOM 0 HA ALA A 80 12.083 1.743 3.838 1.00 0.00 H new ATOM 0 HB1 ALA A 80 10.201 0.199 3.577 1.00 0.00 H new ATOM 0 HB2 ALA A 80 10.047 1.604 2.495 1.00 0.00 H new ATOM 0 HB3 ALA A 80 10.573 0.034 1.845 1.00 0.00 H new ATOM 1238 N ALA A 81 14.057 -0.372 2.765 1.00 0.00 N ATOM 1239 CA ALA A 81 15.015 -1.402 3.159 1.00 0.00 C ATOM 1240 C ALA A 81 15.644 -0.969 4.503 1.00 0.00 C ATOM 1241 O ALA A 81 15.676 0.235 4.775 1.00 0.00 O ATOM 1242 CB ALA A 81 16.083 -1.522 2.065 1.00 0.00 C ATOM 0 H ALA A 81 14.297 0.094 1.890 1.00 0.00 H new ATOM 0 HA ALA A 81 14.536 -2.373 3.281 1.00 0.00 H new ATOM 0 HB1 ALA A 81 16.806 -2.288 2.345 1.00 0.00 H new ATOM 0 HB2 ALA A 81 15.609 -1.797 1.123 1.00 0.00 H new ATOM 0 HB3 ALA A 81 16.594 -0.566 1.949 1.00 0.00 H new ATOM 1248 N PRO A 82 16.235 -1.860 5.320 1.00 0.00 N ATOM 1249 CA PRO A 82 16.406 -3.297 5.120 1.00 0.00 C ATOM 1250 C PRO A 82 15.135 -4.150 5.234 1.00 0.00 C ATOM 1251 O PRO A 82 15.246 -5.358 5.025 1.00 0.00 O ATOM 1252 CB PRO A 82 17.453 -3.717 6.161 1.00 0.00 C ATOM 1253 CG PRO A 82 17.246 -2.725 7.300 1.00 0.00 C ATOM 1254 CD PRO A 82 16.908 -1.444 6.546 1.00 0.00 C ATOM 0 HA PRO A 82 16.711 -3.476 4.089 1.00 0.00 H new ATOM 0 HB2 PRO A 82 17.300 -4.744 6.492 1.00 0.00 H new ATOM 0 HB3 PRO A 82 18.464 -3.659 5.758 1.00 0.00 H new ATOM 0 HG2 PRO A 82 16.440 -3.031 7.966 1.00 0.00 H new ATOM 0 HG3 PRO A 82 18.141 -2.614 7.912 1.00 0.00 H new ATOM 0 HD2 PRO A 82 16.264 -0.799 7.144 1.00 0.00 H new ATOM 0 HD3 PRO A 82 17.810 -0.875 6.321 1.00 0.00 H new ATOM 1262 N ALA A 83 13.966 -3.585 5.561 1.00 0.00 N ATOM 1263 CA ALA A 83 12.736 -4.368 5.658 1.00 0.00 C ATOM 1264 C ALA A 83 12.381 -4.967 4.291 1.00 0.00 C ATOM 1265 O ALA A 83 12.880 -4.522 3.253 1.00 0.00 O ATOM 1266 CB ALA A 83 11.589 -3.483 6.163 1.00 0.00 C ATOM 0 H ALA A 83 13.850 -2.592 5.762 1.00 0.00 H new ATOM 0 HA ALA A 83 12.891 -5.182 6.366 1.00 0.00 H new ATOM 0 HB1 ALA A 83 10.676 -4.075 6.232 1.00 0.00 H new ATOM 0 HB2 ALA A 83 11.841 -3.088 7.147 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.434 -2.657 5.469 1.00 0.00 H new ATOM 1272 N GLU A 84 11.524 -5.986 4.277 1.00 0.00 N ATOM 1273 CA GLU A 84 11.069 -6.648 3.059 1.00 0.00 C ATOM 1274 C GLU A 84 9.852 -5.894 2.528 1.00 0.00 C ATOM 1275 O GLU A 84 8.953 -5.591 3.312 1.00 0.00 O ATOM 1276 CB GLU A 84 10.737 -8.105 3.379 1.00 0.00 C ATOM 1277 CG GLU A 84 12.007 -8.961 3.474 1.00 0.00 C ATOM 1278 CD GLU A 84 12.849 -8.932 2.192 1.00 0.00 C ATOM 1279 OE1 GLU A 84 12.465 -9.563 1.186 1.00 0.00 O ATOM 1280 OE2 GLU A 84 13.887 -8.224 2.145 1.00 0.00 O ATOM 0 H GLU A 84 11.120 -6.380 5.127 1.00 0.00 H new ATOM 0 HA GLU A 84 11.843 -6.642 2.292 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.190 -8.157 4.321 1.00 0.00 H new ATOM 0 HB3 GLU A 84 10.081 -8.508 2.607 1.00 0.00 H new ATOM 0 HG2 GLU A 84 12.614 -8.609 4.308 1.00 0.00 H new ATOM 0 HG3 GLU A 84 11.728 -9.991 3.695 1.00 0.00 H new ATOM 1287 N ILE A 85 9.822 -5.604 1.218 1.00 0.00 N ATOM 1288 CA ILE A 85 8.768 -4.851 0.527 1.00 0.00 C ATOM 1289 C ILE A 85 7.996 -5.760 -0.434 1.00 0.00 C ATOM 1290 O ILE A 85 8.579 -6.676 -1.017 1.00 0.00 O ATOM 1291 CB ILE A 85 9.443 -3.633 -0.184 1.00 0.00 C ATOM 1292 CG1 ILE A 85 9.591 -2.397 0.718 1.00 0.00 C ATOM 1293 CG2 ILE A 85 8.755 -3.202 -1.490 1.00 0.00 C ATOM 1294 CD1 ILE A 85 10.253 -2.740 2.052 1.00 0.00 C ATOM 0 H ILE A 85 10.565 -5.902 0.585 1.00 0.00 H new ATOM 0 HA ILE A 85 8.025 -4.474 1.230 1.00 0.00 H new ATOM 0 HB ILE A 85 10.433 -4.019 -0.427 1.00 0.00 H new ATOM 0 HG12 ILE A 85 10.183 -1.641 0.203 1.00 0.00 H new ATOM 0 HG13 ILE A 85 8.609 -1.962 0.902 1.00 0.00 H new ATOM 0 HG21 ILE A 85 9.286 -2.352 -1.918 1.00 0.00 H new ATOM 0 HG22 ILE A 85 8.767 -4.031 -2.198 1.00 0.00 H new ATOM 0 HG23 ILE A 85 7.724 -2.918 -1.281 1.00 0.00 H new ATOM 0 HD11 ILE A 85 10.338 -1.838 2.658 1.00 0.00 H new ATOM 0 HD12 ILE A 85 9.647 -3.477 2.580 1.00 0.00 H new ATOM 0 HD13 ILE A 85 11.246 -3.150 1.870 1.00 0.00 H new ATOM 1306 N PHE A 86 6.702 -5.475 -0.647 1.00 0.00 N ATOM 1307 CA PHE A 86 5.838 -6.238 -1.545 1.00 0.00 C ATOM 1308 C PHE A 86 4.908 -5.333 -2.352 1.00 0.00 C ATOM 1309 O PHE A 86 4.652 -4.182 -1.981 1.00 0.00 O ATOM 1310 CB PHE A 86 5.034 -7.308 -0.779 1.00 0.00 C ATOM 1311 CG PHE A 86 5.861 -8.294 0.032 1.00 0.00 C ATOM 1312 CD1 PHE A 86 6.429 -7.907 1.260 1.00 0.00 C ATOM 1313 CD2 PHE A 86 6.089 -9.595 -0.449 1.00 0.00 C ATOM 1314 CE1 PHE A 86 7.305 -8.761 1.944 1.00 0.00 C ATOM 1315 CE2 PHE A 86 6.965 -10.458 0.235 1.00 0.00 C ATOM 1316 CZ PHE A 86 7.598 -10.027 1.414 1.00 0.00 C ATOM 0 H PHE A 86 6.225 -4.697 -0.192 1.00 0.00 H new ATOM 0 HA PHE A 86 6.492 -6.748 -2.253 1.00 0.00 H new ATOM 0 HB2 PHE A 86 4.340 -6.804 -0.107 1.00 0.00 H new ATOM 0 HB3 PHE A 86 4.433 -7.868 -1.496 1.00 0.00 H new ATOM 0 HD1 PHE A 86 6.187 -6.942 1.680 1.00 0.00 H new ATOM 0 HD2 PHE A 86 5.591 -9.933 -1.346 1.00 0.00 H new ATOM 0 HE1 PHE A 86 7.753 -8.446 2.875 1.00 0.00 H new ATOM 0 HE2 PHE A 86 7.151 -11.451 -0.146 1.00 0.00 H new ATOM 0 HZ PHE A 86 8.309 -10.670 1.911 1.00 0.00 H new ATOM 1326 N LEU A 87 4.378 -5.891 -3.445 1.00 0.00 N ATOM 1327 CA LEU A 87 3.480 -5.270 -4.415 1.00 0.00 C ATOM 1328 C LEU A 87 2.235 -6.173 -4.518 1.00 0.00 C ATOM 1329 O LEU A 87 2.339 -7.260 -5.070 1.00 0.00 O ATOM 1330 CB LEU A 87 4.217 -5.149 -5.774 1.00 0.00 C ATOM 1331 CG LEU A 87 5.609 -4.468 -5.761 1.00 0.00 C ATOM 1332 CD1 LEU A 87 6.323 -4.695 -7.100 1.00 0.00 C ATOM 1333 CD2 LEU A 87 5.544 -2.957 -5.521 1.00 0.00 C ATOM 0 H LEU A 87 4.583 -6.860 -3.690 1.00 0.00 H new ATOM 0 HA LEU A 87 3.176 -4.267 -4.115 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.334 -6.151 -6.186 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.575 -4.595 -6.459 1.00 0.00 H new ATOM 0 HG LEU A 87 6.152 -4.924 -4.933 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.300 -4.212 -7.078 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.451 -5.764 -7.267 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.726 -4.270 -7.907 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.553 -2.544 -5.524 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.958 -2.488 -6.311 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.075 -2.762 -4.557 1.00 0.00 H new ATOM 1345 N LEU A 88 1.078 -5.733 -4.015 1.00 0.00 N ATOM 1346 CA LEU A 88 -0.215 -6.458 -3.993 1.00 0.00 C ATOM 1347 C LEU A 88 -0.839 -6.772 -5.362 1.00 0.00 C ATOM 1348 O LEU A 88 -1.820 -7.508 -5.444 1.00 0.00 O ATOM 1349 CB LEU A 88 -1.276 -5.637 -3.203 1.00 0.00 C ATOM 1350 CG LEU A 88 -1.981 -6.438 -2.075 1.00 0.00 C ATOM 1351 CD1 LEU A 88 -3.167 -5.659 -1.468 1.00 0.00 C ATOM 1352 CD2 LEU A 88 -2.571 -7.783 -2.518 1.00 0.00 C ATOM 0 H LEU A 88 1.004 -4.811 -3.586 1.00 0.00 H new ATOM 0 HA LEU A 88 0.037 -7.410 -3.526 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.793 -4.763 -2.767 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.030 -5.270 -3.900 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.176 -6.604 -1.359 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.631 -6.256 -0.683 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.808 -4.721 -1.046 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.901 -5.449 -2.246 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.043 -8.272 -1.666 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.314 -7.615 -3.297 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.776 -8.419 -2.906 1.00 0.00 H new ATOM 1364 N GLU A 89 -0.282 -6.200 -6.425 1.00 0.00 N ATOM 1365 CA GLU A 89 -0.741 -6.320 -7.804 1.00 0.00 C ATOM 1366 C GLU A 89 -2.107 -5.615 -7.994 1.00 0.00 C ATOM 1367 O GLU A 89 -2.838 -5.332 -7.048 1.00 0.00 O ATOM 1368 CB GLU A 89 -0.767 -7.791 -8.270 1.00 0.00 C ATOM 1369 CG GLU A 89 -0.413 -7.851 -9.759 1.00 0.00 C ATOM 1370 CD GLU A 89 -0.715 -9.193 -10.421 1.00 0.00 C ATOM 1371 OE1 GLU A 89 0.223 -9.753 -11.043 1.00 0.00 O ATOM 1372 OE2 GLU A 89 -1.901 -9.588 -10.441 1.00 0.00 O ATOM 0 H GLU A 89 0.545 -5.609 -6.343 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.023 -5.809 -8.445 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -0.057 -8.382 -7.691 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -1.754 -8.222 -8.100 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -0.962 -7.069 -10.283 1.00 0.00 H new ATOM 0 HG3 GLU A 89 0.648 -7.631 -9.878 1.00 0.00 H new ATOM 1379 N ASP A 90 -2.447 -5.260 -9.237 1.00 0.00 N ATOM 1380 CA ASP A 90 -3.699 -4.597 -9.632 1.00 0.00 C ATOM 1381 C ASP A 90 -3.950 -3.213 -9.010 1.00 0.00 C ATOM 1382 O ASP A 90 -4.863 -2.508 -9.446 1.00 0.00 O ATOM 1383 CB ASP A 90 -4.890 -5.558 -9.449 1.00 0.00 C ATOM 1384 CG ASP A 90 -4.872 -6.788 -10.345 1.00 0.00 C ATOM 1385 OD1 ASP A 90 -4.426 -6.687 -11.512 1.00 0.00 O ATOM 1386 OD2 ASP A 90 -5.306 -7.871 -9.895 1.00 0.00 O ATOM 0 H ASP A 90 -1.832 -5.433 -10.032 1.00 0.00 H new ATOM 0 HA ASP A 90 -3.586 -4.364 -10.691 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -4.916 -5.885 -8.410 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -5.813 -5.007 -9.633 1.00 0.00 H new ATOM 1391 N GLY A 91 -3.109 -2.705 -8.112 1.00 0.00 N ATOM 1392 CA GLY A 91 -3.282 -1.397 -7.497 1.00 0.00 C ATOM 1393 C GLY A 91 -4.430 -1.449 -6.505 1.00 0.00 C ATOM 1394 O GLY A 91 -4.308 -2.123 -5.486 1.00 0.00 O ATOM 0 H GLY A 91 -2.278 -3.200 -7.789 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.364 -1.097 -6.991 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -3.483 -0.648 -8.263 1.00 0.00 H new ATOM 1398 N ILE A 92 -5.522 -0.714 -6.728 1.00 0.00 N ATOM 1399 CA ILE A 92 -6.655 -0.763 -5.785 1.00 0.00 C ATOM 1400 C ILE A 92 -7.561 -1.936 -6.155 1.00 0.00 C ATOM 1401 O ILE A 92 -8.208 -2.544 -5.305 1.00 0.00 O ATOM 1402 CB ILE A 92 -7.411 0.584 -5.662 1.00 0.00 C ATOM 1403 CG1 ILE A 92 -8.278 0.591 -4.386 1.00 0.00 C ATOM 1404 CG2 ILE A 92 -8.330 0.896 -6.846 1.00 0.00 C ATOM 1405 CD1 ILE A 92 -7.452 0.896 -3.160 1.00 0.00 C ATOM 0 H ILE A 92 -5.651 -0.093 -7.527 1.00 0.00 H new ATOM 0 HA ILE A 92 -6.264 -0.931 -4.782 1.00 0.00 H new ATOM 0 HB ILE A 92 -6.633 1.347 -5.632 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -9.070 1.333 -4.487 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -8.762 -0.378 -4.268 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -8.822 1.855 -6.682 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -7.741 0.942 -7.762 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -9.083 0.113 -6.938 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -8.094 0.893 -2.279 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -6.676 0.139 -3.046 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -6.989 1.877 -3.268 1.00 0.00 H new ATOM 1417 N ASP A 93 -7.580 -2.276 -7.444 1.00 0.00 N ATOM 1418 CA ASP A 93 -8.363 -3.371 -7.983 1.00 0.00 C ATOM 1419 C ASP A 93 -7.917 -4.682 -7.321 1.00 0.00 C ATOM 1420 O ASP A 93 -8.729 -5.589 -7.161 1.00 0.00 O ATOM 1421 CB ASP A 93 -8.199 -3.359 -9.504 1.00 0.00 C ATOM 1422 CG ASP A 93 -8.875 -4.548 -10.176 1.00 0.00 C ATOM 1423 OD1 ASP A 93 -10.099 -4.731 -10.005 1.00 0.00 O ATOM 1424 OD2 ASP A 93 -8.177 -5.252 -10.935 1.00 0.00 O ATOM 0 H ASP A 93 -7.037 -1.782 -8.152 1.00 0.00 H new ATOM 0 HA ASP A 93 -9.426 -3.268 -7.766 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -8.617 -2.435 -9.903 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -7.137 -3.362 -9.751 1.00 0.00 H new ATOM 1429 N GLY A 94 -6.663 -4.750 -6.848 1.00 0.00 N ATOM 1430 CA GLY A 94 -6.083 -5.903 -6.172 1.00 0.00 C ATOM 1431 C GLY A 94 -6.783 -6.146 -4.846 1.00 0.00 C ATOM 1432 O GLY A 94 -7.137 -7.278 -4.529 1.00 0.00 O ATOM 0 H GLY A 94 -6.008 -3.972 -6.933 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -6.172 -6.786 -6.805 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -5.019 -5.737 -6.004 1.00 0.00 H new ATOM 1436 N TRP A 95 -7.028 -5.094 -4.059 1.00 0.00 N ATOM 1437 CA TRP A 95 -7.707 -5.250 -2.783 1.00 0.00 C ATOM 1438 C TRP A 95 -9.075 -5.908 -3.053 1.00 0.00 C ATOM 1439 O TRP A 95 -9.384 -6.980 -2.523 1.00 0.00 O ATOM 1440 CB TRP A 95 -7.866 -3.912 -2.070 1.00 0.00 C ATOM 1441 CG TRP A 95 -8.576 -4.025 -0.752 1.00 0.00 C ATOM 1442 CD1 TRP A 95 -9.557 -3.191 -0.359 1.00 0.00 C ATOM 1443 CD2 TRP A 95 -8.423 -4.997 0.343 1.00 0.00 C ATOM 1444 NE1 TRP A 95 -10.002 -3.569 0.887 1.00 0.00 N ATOM 1445 CE2 TRP A 95 -9.271 -4.600 1.415 1.00 0.00 C ATOM 1446 CE3 TRP A 95 -7.619 -6.134 0.587 1.00 0.00 C ATOM 1447 CZ2 TRP A 95 -9.295 -5.245 2.661 1.00 0.00 C ATOM 1448 CZ3 TRP A 95 -7.641 -6.809 1.822 1.00 0.00 C ATOM 1449 CH2 TRP A 95 -8.475 -6.365 2.864 1.00 0.00 C ATOM 0 H TRP A 95 -6.766 -4.135 -4.286 1.00 0.00 H new ATOM 0 HA TRP A 95 -7.114 -5.881 -2.121 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -6.881 -3.474 -1.908 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -8.417 -3.227 -2.715 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -9.935 -2.357 -0.931 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -10.789 -3.130 1.365 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -6.969 -6.495 -0.197 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -9.936 -4.884 3.452 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -7.013 -7.675 1.971 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -8.484 -6.882 3.812 1.00 0.00 H new ATOM 1460 N LYS A 96 -9.859 -5.295 -3.955 1.00 0.00 N ATOM 1461 CA LYS A 96 -11.187 -5.761 -4.360 1.00 0.00 C ATOM 1462 C LYS A 96 -11.141 -7.113 -5.085 1.00 0.00 C ATOM 1463 O LYS A 96 -12.156 -7.811 -5.115 1.00 0.00 O ATOM 1464 CB LYS A 96 -11.882 -4.663 -5.192 1.00 0.00 C ATOM 1465 CG LYS A 96 -13.326 -5.040 -5.568 1.00 0.00 C ATOM 1466 CD LYS A 96 -14.102 -3.899 -6.233 1.00 0.00 C ATOM 1467 CE LYS A 96 -15.372 -4.495 -6.854 1.00 0.00 C ATOM 1468 NZ LYS A 96 -16.129 -3.523 -7.663 1.00 0.00 N ATOM 0 H LYS A 96 -9.575 -4.440 -4.433 1.00 0.00 H new ATOM 0 HA LYS A 96 -11.780 -5.943 -3.464 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -11.888 -3.731 -4.627 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -11.308 -4.481 -6.101 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -13.306 -5.896 -6.242 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -13.857 -5.354 -4.669 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -14.358 -3.133 -5.501 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -13.493 -3.417 -6.998 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -15.099 -5.345 -7.479 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -16.014 -4.876 -6.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -16.975 -3.983 -8.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -16.416 -2.722 -7.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -15.530 -3.177 -8.440 1.00 0.00 H new ATOM 1482 N LYS A 97 -9.995 -7.539 -5.625 1.00 0.00 N ATOM 1483 CA LYS A 97 -9.841 -8.817 -6.326 1.00 0.00 C ATOM 1484 C LYS A 97 -10.212 -9.942 -5.358 1.00 0.00 C ATOM 1485 O LYS A 97 -10.885 -10.894 -5.737 1.00 0.00 O ATOM 1486 CB LYS A 97 -8.392 -8.948 -6.831 1.00 0.00 C ATOM 1487 CG LYS A 97 -8.183 -9.694 -8.152 1.00 0.00 C ATOM 1488 CD LYS A 97 -8.684 -11.139 -8.120 1.00 0.00 C ATOM 1489 CE LYS A 97 -8.196 -11.980 -9.306 1.00 0.00 C ATOM 1490 NZ LYS A 97 -8.386 -11.314 -10.609 1.00 0.00 N ATOM 0 H LYS A 97 -9.133 -6.995 -5.586 1.00 0.00 H new ATOM 0 HA LYS A 97 -10.498 -8.874 -7.194 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -7.978 -7.945 -6.939 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -7.809 -9.452 -6.061 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -8.697 -9.157 -8.949 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -7.121 -9.691 -8.398 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -8.357 -11.609 -7.192 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -9.774 -11.138 -8.109 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -7.138 -12.206 -9.172 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -8.727 -12.932 -9.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -8.148 -11.976 -11.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -9.377 -11.015 -10.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -7.766 -10.481 -10.667 1.00 0.00 H new ATOM 1504 N ALA A 98 -9.809 -9.813 -4.093 1.00 0.00 N ATOM 1505 CA ALA A 98 -10.089 -10.770 -3.029 1.00 0.00 C ATOM 1506 C ALA A 98 -11.500 -10.565 -2.442 1.00 0.00 C ATOM 1507 O ALA A 98 -11.796 -11.069 -1.360 1.00 0.00 O ATOM 1508 CB ALA A 98 -9.014 -10.612 -1.955 1.00 0.00 C ATOM 0 H ALA A 98 -9.262 -9.014 -3.774 1.00 0.00 H new ATOM 0 HA ALA A 98 -10.067 -11.783 -3.431 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -9.201 -11.318 -1.146 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -8.034 -10.809 -2.389 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -9.039 -9.596 -1.562 1.00 0.00 H new ATOM 1514 N GLY A 99 -12.372 -9.791 -3.095 1.00 0.00 N ATOM 1515 CA GLY A 99 -13.730 -9.529 -2.637 1.00 0.00 C ATOM 1516 C GLY A 99 -13.780 -8.720 -1.345 1.00 0.00 C ATOM 1517 O GLY A 99 -14.741 -8.844 -0.577 1.00 0.00 O ATOM 0 H GLY A 99 -12.145 -9.323 -3.972 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -14.273 -8.993 -3.416 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -14.245 -10.477 -2.485 1.00 0.00 H new ATOM 1521 N LEU A 100 -12.753 -7.906 -1.075 1.00 0.00 N ATOM 1522 CA LEU A 100 -12.659 -7.091 0.117 1.00 0.00 C ATOM 1523 C LEU A 100 -12.878 -5.639 -0.277 1.00 0.00 C ATOM 1524 O LEU A 100 -12.176 -5.139 -1.158 1.00 0.00 O ATOM 1525 CB LEU A 100 -11.284 -7.264 0.754 1.00 0.00 C ATOM 1526 CG LEU A 100 -11.133 -8.644 1.419 1.00 0.00 C ATOM 1527 CD1 LEU A 100 -9.727 -9.212 1.252 1.00 0.00 C ATOM 1528 CD2 LEU A 100 -11.466 -8.541 2.910 1.00 0.00 C ATOM 0 H LEU A 100 -11.953 -7.801 -1.699 1.00 0.00 H new ATOM 0 HA LEU A 100 -13.414 -7.395 0.842 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.513 -7.140 -0.006 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -11.127 -6.483 1.498 1.00 0.00 H new ATOM 0 HG LEU A 100 -11.828 -9.322 0.923 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -9.668 -10.186 1.737 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.502 -9.321 0.191 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -9.005 -8.535 1.708 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -11.357 -9.521 3.376 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -10.786 -7.835 3.387 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -12.492 -8.194 3.030 1.00 0.00 H new ATOM 1540 N PRO A 101 -13.863 -4.956 0.315 1.00 0.00 N ATOM 1541 CA PRO A 101 -14.118 -3.567 0.004 1.00 0.00 C ATOM 1542 C PRO A 101 -13.098 -2.711 0.764 1.00 0.00 C ATOM 1543 O PRO A 101 -12.582 -3.102 1.817 1.00 0.00 O ATOM 1544 CB PRO A 101 -15.555 -3.329 0.479 1.00 0.00 C ATOM 1545 CG PRO A 101 -15.712 -4.282 1.666 1.00 0.00 C ATOM 1546 CD PRO A 101 -14.755 -5.438 1.357 1.00 0.00 C ATOM 0 HA PRO A 101 -14.018 -3.312 -1.051 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -15.711 -2.292 0.776 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -16.277 -3.548 -0.307 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -15.454 -3.793 2.605 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -16.740 -4.632 1.761 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -14.195 -5.728 2.246 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -15.303 -6.319 1.024 1.00 0.00 H new ATOM 1554 N VAL A 102 -12.843 -1.500 0.285 1.00 0.00 N ATOM 1555 CA VAL A 102 -11.926 -0.535 0.875 1.00 0.00 C ATOM 1556 C VAL A 102 -12.648 0.084 2.084 1.00 0.00 C ATOM 1557 O VAL A 102 -13.859 -0.106 2.237 1.00 0.00 O ATOM 1558 CB VAL A 102 -11.655 0.564 -0.186 1.00 0.00 C ATOM 1559 CG1 VAL A 102 -10.547 0.187 -1.168 1.00 0.00 C ATOM 1560 CG2 VAL A 102 -12.898 0.912 -1.032 1.00 0.00 C ATOM 0 H VAL A 102 -13.290 -1.149 -0.562 1.00 0.00 H new ATOM 0 HA VAL A 102 -10.985 -0.991 1.183 1.00 0.00 H new ATOM 0 HB VAL A 102 -11.354 1.424 0.412 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -10.405 0.996 -1.885 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -9.619 0.019 -0.622 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -10.826 -0.723 -1.699 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -12.641 1.687 -1.755 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -13.239 0.022 -1.560 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -13.693 1.274 -0.379 1.00 0.00 H new ATOM 1570 N ALA A 103 -11.958 0.891 2.903 1.00 0.00 N ATOM 1571 CA ALA A 103 -12.602 1.495 4.069 1.00 0.00 C ATOM 1572 C ALA A 103 -13.451 2.703 3.637 1.00 0.00 C ATOM 1573 O ALA A 103 -13.094 3.857 3.866 1.00 0.00 O ATOM 1574 CB ALA A 103 -11.568 1.882 5.140 1.00 0.00 C ATOM 0 H ALA A 103 -10.975 1.134 2.781 1.00 0.00 H new ATOM 0 HA ALA A 103 -13.265 0.757 4.521 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -12.078 2.328 5.994 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -11.029 0.992 5.464 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -10.863 2.601 4.722 1.00 0.00 H new ATOM 1580 N VAL A 104 -14.558 2.457 2.939 1.00 0.00 N ATOM 1581 CA VAL A 104 -15.456 3.514 2.502 1.00 0.00 C ATOM 1582 C VAL A 104 -16.301 3.863 3.724 1.00 0.00 C ATOM 1583 O VAL A 104 -16.782 2.980 4.448 1.00 0.00 O ATOM 1584 CB VAL A 104 -16.306 3.103 1.281 1.00 0.00 C ATOM 1585 CG1 VAL A 104 -15.488 3.291 -0.001 1.00 0.00 C ATOM 1586 CG2 VAL A 104 -16.881 1.676 1.347 1.00 0.00 C ATOM 0 H VAL A 104 -14.854 1.521 2.663 1.00 0.00 H new ATOM 0 HA VAL A 104 -14.902 4.384 2.149 1.00 0.00 H new ATOM 0 HB VAL A 104 -17.175 3.760 1.284 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -16.089 3.000 -0.862 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -15.198 4.337 -0.097 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -14.594 2.669 0.043 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -17.463 1.476 0.447 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -16.064 0.958 1.418 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -17.523 1.583 2.223 1.00 0.00 H new ATOM 1596 N ASN A 105 -16.482 5.163 3.961 1.00 0.00 N ATOM 1597 CA ASN A 105 -17.256 5.659 5.095 1.00 0.00 C ATOM 1598 C ASN A 105 -18.758 5.349 4.956 1.00 0.00 C ATOM 1599 O ASN A 105 -19.518 5.494 5.917 1.00 0.00 O ATOM 1600 CB ASN A 105 -16.998 7.158 5.251 1.00 0.00 C ATOM 1601 CG ASN A 105 -17.341 7.645 6.641 1.00 0.00 C ATOM 1602 OD1 ASN A 105 -16.707 7.236 7.615 1.00 0.00 O ATOM 1603 ND2 ASN A 105 -18.299 8.543 6.759 1.00 0.00 N ATOM 0 H ASN A 105 -16.095 5.900 3.371 1.00 0.00 H new ATOM 0 HA ASN A 105 -16.930 5.141 5.997 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -15.950 7.370 5.040 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -17.589 7.707 4.517 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -18.534 8.920 7.677 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -18.805 8.861 5.932 1.00 0.00 H new