USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 571 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 36 MET CE :methyl 170:sc= -1.17 (180deg=-1.27) USER MOD Set 1.2: A 72 MET CE :methyl -134:sc= -1.03 (180deg=-0.81) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.994! USER MOD Single : A 8 GLN : amide:sc= -0.267 K(o=-0.27,f=-2.3!) USER MOD Single : A 13 LYS NZ :NH3+ 178:sc= 0.00718 (180deg=0.0067) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.606 X(o=-0.61,f=-0.12) USER MOD Single : A 24 ASN : amide:sc= -1.41 K(o=-1.4,f=-5.4!) USER MOD Single : A 26 SER OG : rot 180:sc= -0.0102 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= -0.732 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot -66:sc= 1.07 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 52 MET CE :methyl -175:sc= -1.62 (180deg=-1.65) USER MOD Single : A 53 ASN : amide:sc= -0.106 X(o=-0.11,f=-0.49) USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 61 HIS : no HE2:sc= -12.6! C(o=-13!,f=-15!) USER MOD Single : A 62 GLN : amide:sc= -0.54 K(o=-0.54,f=-2.7!) USER MOD Single : A 66 SER OG : rot 177:sc= -0.141 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 152:sc= -0.0494 (180deg=-0.275) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -15.556 -3.316 -20.280 1.00 0.00 N ATOM 2 CA SER A 1 -14.223 -2.858 -19.792 1.00 0.00 C ATOM 3 C SER A 1 -13.208 -4.003 -19.874 1.00 0.00 C ATOM 4 O SER A 1 -13.326 -4.999 -19.189 1.00 0.00 O ATOM 5 CB SER A 1 -14.452 -2.448 -18.338 1.00 0.00 C ATOM 6 OG SER A 1 -13.629 -1.331 -18.030 1.00 0.00 O ATOM 0 H1 SER A 1 -16.236 -2.531 -20.220 1.00 0.00 H new ATOM 0 H2 SER A 1 -15.475 -3.629 -21.268 1.00 0.00 H new ATOM 0 H3 SER A 1 -15.888 -4.107 -19.692 1.00 0.00 H new ATOM 0 HA SER A 1 -13.825 -2.037 -20.388 1.00 0.00 H new ATOM 0 HB2 SER A 1 -15.501 -2.196 -18.180 1.00 0.00 H new ATOM 0 HB3 SER A 1 -14.220 -3.280 -17.673 1.00 0.00 H new ATOM 0 HG SER A 1 -13.775 -1.064 -17.098 1.00 0.00 H new ATOM 14 N SER A 2 -12.214 -3.868 -20.707 1.00 0.00 N ATOM 15 CA SER A 2 -11.194 -4.949 -20.832 1.00 0.00 C ATOM 16 C SER A 2 -9.926 -4.572 -20.060 1.00 0.00 C ATOM 17 O SER A 2 -8.835 -4.983 -20.402 1.00 0.00 O ATOM 18 CB SER A 2 -10.902 -5.046 -22.329 1.00 0.00 C ATOM 19 OG SER A 2 -12.056 -5.532 -23.002 1.00 0.00 O ATOM 0 H SER A 2 -12.063 -3.057 -21.307 1.00 0.00 H new ATOM 0 HA SER A 2 -11.544 -5.897 -20.423 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.623 -4.068 -22.721 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.057 -5.712 -22.504 1.00 0.00 H new ATOM 0 HG SER A 2 -11.873 -5.594 -23.963 1.00 0.00 H new ATOM 25 N ASN A 3 -10.062 -3.793 -19.022 1.00 0.00 N ATOM 26 CA ASN A 3 -8.864 -3.389 -18.231 1.00 0.00 C ATOM 27 C ASN A 3 -8.630 -4.380 -17.087 1.00 0.00 C ATOM 28 O ASN A 3 -7.708 -5.172 -17.118 1.00 0.00 O ATOM 29 CB ASN A 3 -9.202 -2.004 -17.680 1.00 0.00 C ATOM 30 CG ASN A 3 -8.376 -0.946 -18.415 1.00 0.00 C ATOM 31 OD1 ASN A 3 -8.679 -0.595 -19.539 1.00 0.00 O ATOM 32 ND2 ASN A 3 -7.338 -0.420 -17.826 1.00 0.00 N ATOM 0 H ASN A 3 -10.950 -3.419 -18.687 1.00 0.00 H new ATOM 0 HA ASN A 3 -7.955 -3.377 -18.833 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -10.266 -1.801 -17.805 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -8.993 -1.965 -16.611 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -6.781 0.285 -18.308 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -7.083 -0.714 -16.883 1.00 0.00 H new ATOM 39 N LEU A 4 -9.455 -4.341 -16.077 1.00 0.00 N ATOM 40 CA LEU A 4 -9.279 -5.281 -14.933 1.00 0.00 C ATOM 41 C LEU A 4 -10.447 -6.268 -14.873 1.00 0.00 C ATOM 42 O LEU A 4 -11.447 -6.103 -15.544 1.00 0.00 O ATOM 43 CB LEU A 4 -9.263 -4.391 -13.689 1.00 0.00 C ATOM 44 CG LEU A 4 -8.163 -4.863 -12.737 1.00 0.00 C ATOM 45 CD1 LEU A 4 -6.812 -4.316 -13.205 1.00 0.00 C ATOM 46 CD2 LEU A 4 -8.458 -4.350 -11.325 1.00 0.00 C ATOM 0 H LEU A 4 -10.243 -3.699 -15.994 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.369 -5.874 -15.022 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -9.091 -3.353 -13.974 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -10.231 -4.428 -13.190 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.131 -5.953 -12.731 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -6.028 -4.653 -12.526 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.601 -4.679 -14.211 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -6.843 -3.226 -13.211 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -7.675 -4.685 -10.645 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -8.489 -3.260 -11.333 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.420 -4.738 -10.990 1.00 0.00 H new ATOM 58 N THR A 5 -10.329 -7.293 -14.075 1.00 0.00 N ATOM 59 CA THR A 5 -11.434 -8.290 -13.973 1.00 0.00 C ATOM 60 C THR A 5 -11.325 -9.067 -12.658 1.00 0.00 C ATOM 61 O THR A 5 -10.657 -8.649 -11.733 1.00 0.00 O ATOM 62 CB THR A 5 -11.235 -9.226 -15.167 1.00 0.00 C ATOM 63 OG1 THR A 5 -10.427 -8.581 -16.142 1.00 0.00 O ATOM 64 CG2 THR A 5 -12.593 -9.575 -15.777 1.00 0.00 C ATOM 0 H THR A 5 -9.516 -7.484 -13.489 1.00 0.00 H new ATOM 0 HA THR A 5 -12.417 -7.819 -13.984 1.00 0.00 H new ATOM 0 HB THR A 5 -10.744 -10.140 -14.834 1.00 0.00 H new ATOM 0 HG1 THR A 5 -10.297 -9.180 -16.907 1.00 0.00 H new ATOM 0 HG21 THR A 5 -12.449 -10.242 -16.627 1.00 0.00 H new ATOM 0 HG22 THR A 5 -13.212 -10.070 -15.028 1.00 0.00 H new ATOM 0 HG23 THR A 5 -13.087 -8.663 -16.111 1.00 0.00 H new ATOM 72 N GLU A 6 -11.976 -10.195 -12.568 1.00 0.00 N ATOM 73 CA GLU A 6 -11.909 -10.996 -11.312 1.00 0.00 C ATOM 74 C GLU A 6 -10.483 -11.504 -11.084 1.00 0.00 C ATOM 75 O GLU A 6 -9.801 -11.079 -10.173 1.00 0.00 O ATOM 76 CB GLU A 6 -12.866 -12.167 -11.539 1.00 0.00 C ATOM 77 CG GLU A 6 -14.310 -11.682 -11.395 1.00 0.00 C ATOM 78 CD GLU A 6 -15.219 -12.507 -12.307 1.00 0.00 C ATOM 79 OE1 GLU A 6 -15.001 -12.484 -13.508 1.00 0.00 O ATOM 80 OE2 GLU A 6 -16.118 -13.150 -11.790 1.00 0.00 O ATOM 0 H GLU A 6 -12.551 -10.596 -13.309 1.00 0.00 H new ATOM 0 HA GLU A 6 -12.181 -10.411 -10.433 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -12.711 -12.590 -12.531 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -12.664 -12.960 -10.819 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -14.635 -11.776 -10.359 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -14.378 -10.626 -11.656 1.00 0.00 H new ATOM 87 N GLU A 7 -10.028 -12.410 -11.905 1.00 0.00 N ATOM 88 CA GLU A 7 -8.646 -12.945 -11.735 1.00 0.00 C ATOM 89 C GLU A 7 -7.651 -11.793 -11.567 1.00 0.00 C ATOM 90 O GLU A 7 -6.758 -11.847 -10.746 1.00 0.00 O ATOM 91 CB GLU A 7 -8.358 -13.720 -13.022 1.00 0.00 C ATOM 92 CG GLU A 7 -8.162 -15.200 -12.693 1.00 0.00 C ATOM 93 CD GLU A 7 -9.486 -15.944 -12.870 1.00 0.00 C ATOM 94 OE1 GLU A 7 -10.234 -16.019 -11.910 1.00 0.00 O ATOM 95 OE2 GLU A 7 -9.731 -16.425 -13.964 1.00 0.00 O ATOM 0 H GLU A 7 -10.553 -12.803 -12.686 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.554 -13.576 -10.851 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.183 -13.599 -13.724 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.466 -13.323 -13.506 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.401 -15.630 -13.345 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -7.805 -15.311 -11.669 1.00 0.00 H new ATOM 102 N GLN A 8 -7.798 -10.751 -12.339 1.00 0.00 N ATOM 103 CA GLN A 8 -6.859 -9.599 -12.221 1.00 0.00 C ATOM 104 C GLN A 8 -6.808 -9.107 -10.772 1.00 0.00 C ATOM 105 O GLN A 8 -5.793 -9.194 -10.112 1.00 0.00 O ATOM 106 CB GLN A 8 -7.441 -8.519 -13.134 1.00 0.00 C ATOM 107 CG GLN A 8 -6.304 -7.810 -13.874 1.00 0.00 C ATOM 108 CD GLN A 8 -5.805 -8.699 -15.014 1.00 0.00 C ATOM 109 OE1 GLN A 8 -5.125 -9.679 -14.783 1.00 0.00 O ATOM 110 NE2 GLN A 8 -6.115 -8.397 -16.245 1.00 0.00 N ATOM 0 H GLN A 8 -8.527 -10.647 -13.045 1.00 0.00 H new ATOM 0 HA GLN A 8 -5.840 -9.865 -12.503 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -8.132 -8.966 -13.849 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -8.011 -7.800 -12.546 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -6.652 -6.856 -14.269 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -5.488 -7.591 -13.185 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -6.686 -7.575 -16.440 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -5.787 -8.983 -17.012 1.00 0.00 H new ATOM 119 N ILE A 9 -7.900 -8.594 -10.272 1.00 0.00 N ATOM 120 CA ILE A 9 -7.914 -8.100 -8.865 1.00 0.00 C ATOM 121 C ILE A 9 -7.296 -9.147 -7.936 1.00 0.00 C ATOM 122 O ILE A 9 -6.589 -8.823 -7.001 1.00 0.00 O ATOM 123 CB ILE A 9 -9.392 -7.894 -8.533 1.00 0.00 C ATOM 124 CG1 ILE A 9 -9.972 -6.812 -9.445 1.00 0.00 C ATOM 125 CG2 ILE A 9 -9.530 -7.457 -7.073 1.00 0.00 C ATOM 126 CD1 ILE A 9 -11.446 -6.591 -9.103 1.00 0.00 C ATOM 0 H ILE A 9 -8.781 -8.496 -10.776 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.338 -7.183 -8.741 1.00 0.00 H new ATOM 0 HB ILE A 9 -9.933 -8.828 -8.686 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.416 -5.882 -9.323 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -9.871 -7.109 -10.489 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -10.584 -7.310 -6.835 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -9.115 -8.227 -6.422 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -8.990 -6.523 -6.920 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -11.859 -5.820 -9.753 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -11.996 -7.521 -9.248 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -11.535 -6.275 -8.064 1.00 0.00 H new ATOM 138 N ALA A 10 -7.555 -10.401 -8.187 1.00 0.00 N ATOM 139 CA ALA A 10 -6.982 -11.470 -7.320 1.00 0.00 C ATOM 140 C ALA A 10 -5.457 -11.352 -7.276 1.00 0.00 C ATOM 141 O ALA A 10 -4.868 -11.156 -6.231 1.00 0.00 O ATOM 142 CB ALA A 10 -7.400 -12.783 -7.982 1.00 0.00 C ATOM 0 H ALA A 10 -8.139 -10.732 -8.955 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.336 -11.402 -6.291 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.015 -13.622 -7.402 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.488 -12.839 -8.024 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.995 -12.826 -8.993 1.00 0.00 H new ATOM 148 N GLU A 11 -4.811 -11.469 -8.405 1.00 0.00 N ATOM 149 CA GLU A 11 -3.324 -11.362 -8.426 1.00 0.00 C ATOM 150 C GLU A 11 -2.877 -10.084 -7.712 1.00 0.00 C ATOM 151 O GLU A 11 -1.833 -10.039 -7.091 1.00 0.00 O ATOM 152 CB GLU A 11 -2.952 -11.307 -9.909 1.00 0.00 C ATOM 153 CG GLU A 11 -2.535 -12.701 -10.383 1.00 0.00 C ATOM 154 CD GLU A 11 -1.209 -13.088 -9.727 1.00 0.00 C ATOM 155 OE1 GLU A 11 -0.592 -12.223 -9.128 1.00 0.00 O ATOM 156 OE2 GLU A 11 -0.831 -14.244 -9.836 1.00 0.00 O ATOM 0 H GLU A 11 -5.248 -11.634 -9.312 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.842 -12.196 -7.916 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.800 -10.951 -10.494 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.137 -10.600 -10.064 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.305 -13.429 -10.128 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.433 -12.712 -11.468 1.00 0.00 H new ATOM 163 N PHE A 12 -3.661 -9.044 -7.794 1.00 0.00 N ATOM 164 CA PHE A 12 -3.282 -7.770 -7.119 1.00 0.00 C ATOM 165 C PHE A 12 -3.301 -7.955 -5.599 1.00 0.00 C ATOM 166 O PHE A 12 -2.392 -7.546 -4.903 1.00 0.00 O ATOM 167 CB PHE A 12 -4.347 -6.761 -7.549 1.00 0.00 C ATOM 168 CG PHE A 12 -4.015 -6.232 -8.924 1.00 0.00 C ATOM 169 CD1 PHE A 12 -3.856 -7.119 -9.995 1.00 0.00 C ATOM 170 CD2 PHE A 12 -3.870 -4.855 -9.128 1.00 0.00 C ATOM 171 CE1 PHE A 12 -3.550 -6.627 -11.270 1.00 0.00 C ATOM 172 CE2 PHE A 12 -3.564 -4.363 -10.403 1.00 0.00 C ATOM 173 CZ PHE A 12 -3.404 -5.251 -11.474 1.00 0.00 C ATOM 0 H PHE A 12 -4.547 -9.021 -8.299 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.278 -7.441 -7.388 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -5.329 -7.234 -7.557 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.395 -5.940 -6.834 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -3.969 -8.182 -9.838 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.994 -4.171 -8.301 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.427 -7.311 -12.097 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.452 -3.300 -10.560 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.168 -4.873 -12.458 1.00 0.00 H new ATOM 183 N LYS A 13 -4.328 -8.569 -5.079 1.00 0.00 N ATOM 184 CA LYS A 13 -4.401 -8.781 -3.606 1.00 0.00 C ATOM 185 C LYS A 13 -3.161 -9.537 -3.121 1.00 0.00 C ATOM 186 O LYS A 13 -2.461 -9.094 -2.231 1.00 0.00 O ATOM 187 CB LYS A 13 -5.661 -9.621 -3.387 1.00 0.00 C ATOM 188 CG LYS A 13 -5.691 -10.131 -1.945 1.00 0.00 C ATOM 189 CD LYS A 13 -5.928 -8.957 -0.994 1.00 0.00 C ATOM 190 CE LYS A 13 -7.250 -9.161 -0.250 1.00 0.00 C ATOM 191 NZ LYS A 13 -7.310 -8.047 0.737 1.00 0.00 N ATOM 0 H LYS A 13 -5.119 -8.933 -5.610 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.438 -7.842 -3.054 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.549 -9.023 -3.591 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.676 -10.461 -4.081 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.480 -10.874 -1.827 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.750 -10.625 -1.703 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.106 -8.880 -0.282 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -5.954 -8.022 -1.553 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.098 -9.129 -0.934 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.278 -10.131 0.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -8.205 -8.098 1.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.513 -8.127 1.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.254 -7.137 0.237 1.00 0.00 H new ATOM 205 N GLU A 14 -2.882 -10.672 -3.702 1.00 0.00 N ATOM 206 CA GLU A 14 -1.685 -11.451 -3.274 1.00 0.00 C ATOM 207 C GLU A 14 -0.445 -10.554 -3.282 1.00 0.00 C ATOM 208 O GLU A 14 0.387 -10.619 -2.399 1.00 0.00 O ATOM 209 CB GLU A 14 -1.548 -12.567 -4.311 1.00 0.00 C ATOM 210 CG GLU A 14 -2.638 -13.614 -4.083 1.00 0.00 C ATOM 211 CD GLU A 14 -2.724 -14.536 -5.300 1.00 0.00 C ATOM 212 OE1 GLU A 14 -3.046 -14.045 -6.370 1.00 0.00 O ATOM 213 OE2 GLU A 14 -2.468 -15.718 -5.142 1.00 0.00 O ATOM 0 H GLU A 14 -3.430 -11.093 -4.453 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.786 -11.846 -2.263 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -1.630 -12.155 -5.317 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.564 -13.029 -4.235 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.417 -14.196 -3.188 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.598 -13.125 -3.916 1.00 0.00 H new ATOM 220 N ALA A 15 -0.316 -9.715 -4.274 1.00 0.00 N ATOM 221 CA ALA A 15 0.869 -8.811 -4.338 1.00 0.00 C ATOM 222 C ALA A 15 0.800 -7.772 -3.215 1.00 0.00 C ATOM 223 O ALA A 15 1.578 -7.799 -2.283 1.00 0.00 O ATOM 224 CB ALA A 15 0.774 -8.132 -5.704 1.00 0.00 C ATOM 0 H ALA A 15 -0.979 -9.616 -5.043 1.00 0.00 H new ATOM 0 HA ALA A 15 1.809 -9.350 -4.215 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.613 -7.448 -5.829 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.802 -8.888 -6.489 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.161 -7.575 -5.769 1.00 0.00 H new ATOM 230 N PHE A 16 -0.128 -6.859 -3.298 1.00 0.00 N ATOM 231 CA PHE A 16 -0.251 -5.816 -2.238 1.00 0.00 C ATOM 232 C PHE A 16 -0.064 -6.441 -0.852 1.00 0.00 C ATOM 233 O PHE A 16 0.710 -5.965 -0.045 1.00 0.00 O ATOM 234 CB PHE A 16 -1.669 -5.269 -2.393 1.00 0.00 C ATOM 235 CG PHE A 16 -1.894 -4.155 -1.398 1.00 0.00 C ATOM 236 CD1 PHE A 16 -1.562 -2.838 -1.735 1.00 0.00 C ATOM 237 CD2 PHE A 16 -2.438 -4.442 -0.140 1.00 0.00 C ATOM 238 CE1 PHE A 16 -1.774 -1.806 -0.812 1.00 0.00 C ATOM 239 CE2 PHE A 16 -2.648 -3.409 0.782 1.00 0.00 C ATOM 240 CZ PHE A 16 -2.317 -2.092 0.446 1.00 0.00 C ATOM 0 H PHE A 16 -0.808 -6.789 -4.055 1.00 0.00 H new ATOM 0 HA PHE A 16 0.503 -5.035 -2.335 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.818 -4.900 -3.408 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.396 -6.065 -2.233 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -1.143 -2.618 -2.706 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.695 -5.458 0.119 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.518 -0.789 -1.071 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.066 -3.629 1.753 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.480 -1.296 1.157 1.00 0.00 H new ATOM 250 N ALA A 17 -0.770 -7.501 -0.569 1.00 0.00 N ATOM 251 CA ALA A 17 -0.635 -8.153 0.767 1.00 0.00 C ATOM 252 C ALA A 17 0.744 -8.804 0.906 1.00 0.00 C ATOM 253 O ALA A 17 1.244 -8.992 1.997 1.00 0.00 O ATOM 254 CB ALA A 17 -1.735 -9.214 0.802 1.00 0.00 C ATOM 0 H ALA A 17 -1.434 -7.944 -1.203 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.730 -7.439 1.585 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.703 -9.740 1.756 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.707 -8.735 0.685 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.581 -9.925 -0.010 1.00 0.00 H new ATOM 260 N LEU A 18 1.362 -9.153 -0.189 1.00 0.00 N ATOM 261 CA LEU A 18 2.707 -9.794 -0.114 1.00 0.00 C ATOM 262 C LEU A 18 3.693 -8.874 0.611 1.00 0.00 C ATOM 263 O LEU A 18 4.700 -9.314 1.129 1.00 0.00 O ATOM 264 CB LEU A 18 3.133 -9.997 -1.568 1.00 0.00 C ATOM 265 CG LEU A 18 3.566 -11.449 -1.774 1.00 0.00 C ATOM 266 CD1 LEU A 18 3.558 -11.777 -3.269 1.00 0.00 C ATOM 267 CD2 LEU A 18 4.979 -11.642 -1.219 1.00 0.00 C ATOM 0 H LEU A 18 0.995 -9.023 -1.132 1.00 0.00 H new ATOM 0 HA LEU A 18 2.685 -10.733 0.438 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.308 -9.754 -2.237 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.953 -9.323 -1.815 1.00 0.00 H new ATOM 0 HG LEU A 18 2.875 -12.112 -1.253 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.867 -12.812 -3.416 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.553 -11.638 -3.667 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.249 -11.115 -3.791 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.289 -12.677 -1.365 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.669 -10.979 -1.741 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.987 -11.408 -0.154 1.00 0.00 H new ATOM 279 N PHE A 19 3.413 -7.600 0.655 1.00 0.00 N ATOM 280 CA PHE A 19 4.338 -6.658 1.348 1.00 0.00 C ATOM 281 C PHE A 19 3.604 -5.934 2.481 1.00 0.00 C ATOM 282 O PHE A 19 3.987 -4.857 2.893 1.00 0.00 O ATOM 283 CB PHE A 19 4.775 -5.664 0.272 1.00 0.00 C ATOM 284 CG PHE A 19 5.156 -6.412 -0.983 1.00 0.00 C ATOM 285 CD1 PHE A 19 4.170 -6.769 -1.910 1.00 0.00 C ATOM 286 CD2 PHE A 19 6.494 -6.750 -1.219 1.00 0.00 C ATOM 287 CE1 PHE A 19 4.521 -7.463 -3.073 1.00 0.00 C ATOM 288 CE2 PHE A 19 6.846 -7.444 -2.383 1.00 0.00 C ATOM 289 CZ PHE A 19 5.859 -7.800 -3.311 1.00 0.00 C ATOM 0 H PHE A 19 2.585 -7.171 0.242 1.00 0.00 H new ATOM 0 HA PHE A 19 5.189 -7.171 1.796 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.967 -4.964 0.059 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.621 -5.076 0.628 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.138 -6.509 -1.727 1.00 0.00 H new ATOM 0 HD2 PHE A 19 7.255 -6.475 -0.503 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.760 -7.739 -3.787 1.00 0.00 H new ATOM 0 HE2 PHE A 19 7.878 -7.705 -2.565 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.130 -8.334 -4.210 1.00 0.00 H new ATOM 299 N ASP A 20 2.552 -6.517 2.986 1.00 0.00 N ATOM 300 CA ASP A 20 1.795 -5.862 4.092 1.00 0.00 C ATOM 301 C ASP A 20 2.539 -6.037 5.418 1.00 0.00 C ATOM 302 O ASP A 20 2.290 -6.966 6.162 1.00 0.00 O ATOM 303 CB ASP A 20 0.447 -6.583 4.131 1.00 0.00 C ATOM 304 CG ASP A 20 0.669 -8.062 4.455 1.00 0.00 C ATOM 305 OD1 ASP A 20 1.778 -8.531 4.257 1.00 0.00 O ATOM 306 OD2 ASP A 20 -0.273 -8.700 4.894 1.00 0.00 O ATOM 0 H ASP A 20 2.183 -7.418 2.682 1.00 0.00 H new ATOM 0 HA ASP A 20 1.678 -4.790 3.935 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.199 -6.128 4.882 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.059 -6.482 3.171 1.00 0.00 H new ATOM 311 N LYS A 21 3.449 -5.153 5.721 1.00 0.00 N ATOM 312 CA LYS A 21 4.208 -5.271 6.999 1.00 0.00 C ATOM 313 C LYS A 21 3.241 -5.365 8.182 1.00 0.00 C ATOM 314 O LYS A 21 3.284 -6.297 8.960 1.00 0.00 O ATOM 315 CB LYS A 21 5.039 -3.989 7.086 1.00 0.00 C ATOM 316 CG LYS A 21 5.814 -3.795 5.783 1.00 0.00 C ATOM 317 CD LYS A 21 7.284 -3.508 6.101 1.00 0.00 C ATOM 318 CE LYS A 21 7.780 -2.355 5.226 1.00 0.00 C ATOM 319 NZ LYS A 21 9.118 -2.002 5.778 1.00 0.00 N ATOM 0 H LYS A 21 3.700 -4.354 5.139 1.00 0.00 H new ATOM 0 HA LYS A 21 4.832 -6.164 7.028 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.389 -3.133 7.266 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.730 -4.047 7.927 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.733 -4.688 5.163 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.387 -2.970 5.213 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.396 -3.253 7.155 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.886 -4.399 5.923 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.851 -2.655 4.180 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.099 -1.505 5.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 9.524 -1.217 5.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.018 -1.714 6.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.747 -2.828 5.718 1.00 0.00 H new ATOM 333 N ASP A 22 2.367 -4.405 8.324 1.00 0.00 N ATOM 334 CA ASP A 22 1.398 -4.441 9.458 1.00 0.00 C ATOM 335 C ASP A 22 0.349 -5.531 9.223 1.00 0.00 C ATOM 336 O ASP A 22 -0.481 -5.799 10.068 1.00 0.00 O ATOM 337 CB ASP A 22 0.743 -3.059 9.463 1.00 0.00 C ATOM 338 CG ASP A 22 1.796 -1.997 9.782 1.00 0.00 C ATOM 339 OD1 ASP A 22 2.936 -2.182 9.387 1.00 0.00 O ATOM 340 OD2 ASP A 22 1.445 -1.015 10.416 1.00 0.00 O ATOM 0 H ASP A 22 2.282 -3.599 7.705 1.00 0.00 H new ATOM 0 HA ASP A 22 1.882 -4.666 10.408 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.289 -2.856 8.493 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.057 -3.027 10.202 1.00 0.00 H new ATOM 345 N ASN A 23 0.380 -6.162 8.081 1.00 0.00 N ATOM 346 CA ASN A 23 -0.616 -7.235 7.793 1.00 0.00 C ATOM 347 C ASN A 23 -2.039 -6.697 7.972 1.00 0.00 C ATOM 348 O ASN A 23 -2.969 -7.442 8.203 1.00 0.00 O ATOM 349 CB ASN A 23 -0.324 -8.331 8.818 1.00 0.00 C ATOM 350 CG ASN A 23 -0.773 -9.683 8.261 1.00 0.00 C ATOM 351 OD1 ASN A 23 -0.204 -10.706 8.587 1.00 0.00 O ATOM 352 ND2 ASN A 23 -1.778 -9.731 7.430 1.00 0.00 N ATOM 0 H ASN A 23 1.051 -5.982 7.335 1.00 0.00 H new ATOM 0 HA ASN A 23 -0.542 -7.604 6.770 1.00 0.00 H new ATOM 0 HB2 ASN A 23 0.742 -8.356 9.046 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -0.845 -8.119 9.751 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -2.086 -10.628 7.054 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -2.255 -8.872 7.157 1.00 0.00 H new ATOM 359 N ASN A 24 -2.213 -5.408 7.868 1.00 0.00 N ATOM 360 CA ASN A 24 -3.575 -4.824 8.032 1.00 0.00 C ATOM 361 C ASN A 24 -4.151 -4.433 6.668 1.00 0.00 C ATOM 362 O ASN A 24 -4.713 -3.369 6.503 1.00 0.00 O ATOM 363 CB ASN A 24 -3.372 -3.585 8.905 1.00 0.00 C ATOM 364 CG ASN A 24 -2.869 -4.009 10.285 1.00 0.00 C ATOM 365 OD1 ASN A 24 -2.797 -5.185 10.584 1.00 0.00 O ATOM 366 ND2 ASN A 24 -2.513 -3.095 11.146 1.00 0.00 N ATOM 0 H ASN A 24 -1.472 -4.734 7.677 1.00 0.00 H new ATOM 0 HA ASN A 24 -4.275 -5.528 8.481 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -2.655 -2.911 8.437 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -4.309 -3.037 9.001 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.175 -3.368 12.069 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -2.573 -2.108 10.896 1.00 0.00 H new ATOM 373 N GLY A 25 -4.014 -5.284 5.689 1.00 0.00 N ATOM 374 CA GLY A 25 -4.553 -4.960 4.338 1.00 0.00 C ATOM 375 C GLY A 25 -4.027 -3.596 3.890 1.00 0.00 C ATOM 376 O GLY A 25 -4.609 -2.940 3.050 1.00 0.00 O ATOM 0 H GLY A 25 -3.552 -6.190 5.766 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.257 -5.728 3.623 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.643 -4.951 4.363 1.00 0.00 H new ATOM 380 N SER A 26 -2.927 -3.163 4.445 1.00 0.00 N ATOM 381 CA SER A 26 -2.364 -1.839 4.050 1.00 0.00 C ATOM 382 C SER A 26 -0.845 -1.937 3.890 1.00 0.00 C ATOM 383 O SER A 26 -0.192 -2.729 4.542 1.00 0.00 O ATOM 384 CB SER A 26 -2.723 -0.898 5.199 1.00 0.00 C ATOM 385 OG SER A 26 -2.226 -1.435 6.418 1.00 0.00 O ATOM 0 H SER A 26 -2.394 -3.668 5.154 1.00 0.00 H new ATOM 0 HA SER A 26 -2.761 -1.489 3.097 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.297 0.089 5.023 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.804 -0.773 5.257 1.00 0.00 H new ATOM 0 HG SER A 26 -2.453 -0.833 7.157 1.00 0.00 H new ATOM 391 N ILE A 27 -0.277 -1.141 3.027 1.00 0.00 N ATOM 392 CA ILE A 27 1.200 -1.189 2.826 1.00 0.00 C ATOM 393 C ILE A 27 1.761 0.228 2.681 1.00 0.00 C ATOM 394 O ILE A 27 1.066 1.145 2.294 1.00 0.00 O ATOM 395 CB ILE A 27 1.398 -1.978 1.531 1.00 0.00 C ATOM 396 CG1 ILE A 27 1.009 -1.104 0.336 1.00 0.00 C ATOM 397 CG2 ILE A 27 0.516 -3.229 1.555 1.00 0.00 C ATOM 398 CD1 ILE A 27 1.244 -1.879 -0.963 1.00 0.00 C ATOM 0 H ILE A 27 -0.771 -0.459 2.452 1.00 0.00 H new ATOM 0 HA ILE A 27 1.716 -1.650 3.668 1.00 0.00 H new ATOM 0 HB ILE A 27 2.444 -2.272 1.442 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.038 -0.811 0.412 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.598 -0.187 0.336 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.657 -3.791 0.632 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.792 -3.852 2.406 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.530 -2.935 1.645 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.967 -1.256 -1.813 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.297 -2.150 -1.040 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.636 -2.783 -0.962 1.00 0.00 H new ATOM 410 N SER A 28 3.016 0.412 2.986 1.00 0.00 N ATOM 411 CA SER A 28 3.621 1.769 2.860 1.00 0.00 C ATOM 412 C SER A 28 3.927 2.071 1.391 1.00 0.00 C ATOM 413 O SER A 28 4.159 1.178 0.601 1.00 0.00 O ATOM 414 CB SER A 28 4.911 1.706 3.676 1.00 0.00 C ATOM 415 OG SER A 28 5.027 2.884 4.462 1.00 0.00 O ATOM 0 H SER A 28 3.648 -0.317 3.317 1.00 0.00 H new ATOM 0 HA SER A 28 2.955 2.555 3.216 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.906 0.825 4.318 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.771 1.612 3.012 1.00 0.00 H new ATOM 0 HG SER A 28 5.853 2.846 4.988 1.00 0.00 H new ATOM 421 N SER A 29 3.929 3.320 1.017 1.00 0.00 N ATOM 422 CA SER A 29 4.220 3.671 -0.402 1.00 0.00 C ATOM 423 C SER A 29 5.428 2.876 -0.906 1.00 0.00 C ATOM 424 O SER A 29 5.370 2.225 -1.930 1.00 0.00 O ATOM 425 CB SER A 29 4.531 5.167 -0.385 1.00 0.00 C ATOM 426 OG SER A 29 5.940 5.353 -0.384 1.00 0.00 O ATOM 0 H SER A 29 3.742 4.112 1.631 1.00 0.00 H new ATOM 0 HA SER A 29 3.387 3.436 -1.065 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.089 5.652 -1.255 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.090 5.632 0.497 1.00 0.00 H new ATOM 0 HG SER A 29 6.143 6.312 -0.375 1.00 0.00 H new ATOM 432 N SER A 30 6.520 2.924 -0.195 1.00 0.00 N ATOM 433 CA SER A 30 7.729 2.168 -0.635 1.00 0.00 C ATOM 434 C SER A 30 7.342 0.744 -1.038 1.00 0.00 C ATOM 435 O SER A 30 7.948 0.147 -1.905 1.00 0.00 O ATOM 436 CB SER A 30 8.650 2.150 0.584 1.00 0.00 C ATOM 437 OG SER A 30 9.685 3.107 0.405 1.00 0.00 O ATOM 0 H SER A 30 6.629 3.453 0.670 1.00 0.00 H new ATOM 0 HA SER A 30 8.210 2.623 -1.501 1.00 0.00 H new ATOM 0 HB2 SER A 30 8.082 2.376 1.486 1.00 0.00 H new ATOM 0 HB3 SER A 30 9.077 1.156 0.717 1.00 0.00 H new ATOM 0 HG SER A 30 10.277 3.099 1.186 1.00 0.00 H new ATOM 443 N GLU A 31 6.335 0.195 -0.415 1.00 0.00 N ATOM 444 CA GLU A 31 5.907 -1.191 -0.762 1.00 0.00 C ATOM 445 C GLU A 31 5.040 -1.176 -2.024 1.00 0.00 C ATOM 446 O GLU A 31 5.083 -2.086 -2.828 1.00 0.00 O ATOM 447 CB GLU A 31 5.095 -1.668 0.441 1.00 0.00 C ATOM 448 CG GLU A 31 5.888 -1.413 1.726 1.00 0.00 C ATOM 449 CD GLU A 31 7.215 -2.171 1.665 1.00 0.00 C ATOM 450 OE1 GLU A 31 7.276 -3.166 0.962 1.00 0.00 O ATOM 451 OE2 GLU A 31 8.150 -1.742 2.322 1.00 0.00 O ATOM 0 H GLU A 31 5.790 0.646 0.320 1.00 0.00 H new ATOM 0 HA GLU A 31 6.754 -1.846 -0.967 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.140 -1.143 0.480 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.871 -2.730 0.344 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.072 -0.345 1.847 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.311 -1.737 2.592 1.00 0.00 H new ATOM 458 N LEU A 32 4.252 -0.150 -2.204 1.00 0.00 N ATOM 459 CA LEU A 32 3.384 -0.082 -3.414 1.00 0.00 C ATOM 460 C LEU A 32 4.238 -0.198 -4.679 1.00 0.00 C ATOM 461 O LEU A 32 3.924 -0.945 -5.585 1.00 0.00 O ATOM 462 CB LEU A 32 2.709 1.288 -3.345 1.00 0.00 C ATOM 463 CG LEU A 32 1.847 1.495 -4.590 1.00 0.00 C ATOM 464 CD1 LEU A 32 0.777 0.404 -4.658 1.00 0.00 C ATOM 465 CD2 LEU A 32 1.170 2.866 -4.518 1.00 0.00 C ATOM 0 H LEU A 32 4.172 0.642 -1.567 1.00 0.00 H new ATOM 0 HA LEU A 32 2.654 -0.891 -3.446 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.094 1.357 -2.448 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.462 2.073 -3.276 1.00 0.00 H new ATOM 0 HG LEU A 32 2.476 1.444 -5.479 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.162 0.552 -5.546 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.257 -0.574 -4.707 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.148 0.455 -3.769 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.555 3.015 -5.405 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.542 2.915 -3.629 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.931 3.645 -4.469 1.00 0.00 H new ATOM 477 N ALA A 33 5.319 0.530 -4.749 1.00 0.00 N ATOM 478 CA ALA A 33 6.189 0.452 -5.955 1.00 0.00 C ATOM 479 C ALA A 33 6.510 -1.011 -6.270 1.00 0.00 C ATOM 480 O ALA A 33 6.519 -1.423 -7.413 1.00 0.00 O ATOM 481 CB ALA A 33 7.461 1.212 -5.579 1.00 0.00 C ATOM 0 H ALA A 33 5.636 1.174 -4.024 1.00 0.00 H new ATOM 0 HA ALA A 33 5.713 0.875 -6.840 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.155 1.199 -6.420 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.209 2.243 -5.332 1.00 0.00 H new ATOM 0 HB3 ALA A 33 7.928 0.736 -4.716 1.00 0.00 H new ATOM 487 N THR A 34 6.765 -1.801 -5.263 1.00 0.00 N ATOM 488 CA THR A 34 7.075 -3.237 -5.507 1.00 0.00 C ATOM 489 C THR A 34 5.851 -3.941 -6.097 1.00 0.00 C ATOM 490 O THR A 34 5.847 -4.344 -7.243 1.00 0.00 O ATOM 491 CB THR A 34 7.415 -3.814 -4.133 1.00 0.00 C ATOM 492 OG1 THR A 34 8.650 -3.272 -3.685 1.00 0.00 O ATOM 493 CG2 THR A 34 7.527 -5.335 -4.235 1.00 0.00 C ATOM 0 H THR A 34 6.772 -1.514 -4.284 1.00 0.00 H new ATOM 0 HA THR A 34 7.894 -3.369 -6.213 1.00 0.00 H new ATOM 0 HB THR A 34 6.629 -3.556 -3.423 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.868 -3.640 -2.803 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.769 -5.748 -3.256 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.578 -5.747 -4.578 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.313 -5.595 -4.944 1.00 0.00 H new ATOM 501 N VAL A 35 4.808 -4.086 -5.324 1.00 0.00 N ATOM 502 CA VAL A 35 3.583 -4.756 -5.849 1.00 0.00 C ATOM 503 C VAL A 35 3.278 -4.237 -7.255 1.00 0.00 C ATOM 504 O VAL A 35 2.753 -4.944 -8.094 1.00 0.00 O ATOM 505 CB VAL A 35 2.468 -4.364 -4.880 1.00 0.00 C ATOM 506 CG1 VAL A 35 2.781 -4.912 -3.487 1.00 0.00 C ATOM 507 CG2 VAL A 35 2.363 -2.838 -4.812 1.00 0.00 C ATOM 0 H VAL A 35 4.751 -3.771 -4.356 1.00 0.00 H new ATOM 0 HA VAL A 35 3.695 -5.838 -5.918 1.00 0.00 H new ATOM 0 HB VAL A 35 1.524 -4.781 -5.230 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.984 -4.631 -2.798 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.856 -5.999 -3.532 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.726 -4.498 -3.137 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.568 -2.558 -4.121 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.309 -2.423 -4.464 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.137 -2.444 -5.803 1.00 0.00 H new ATOM 517 N MET A 36 3.607 -3.000 -7.515 1.00 0.00 N ATOM 518 CA MET A 36 3.344 -2.416 -8.860 1.00 0.00 C ATOM 519 C MET A 36 4.087 -3.206 -9.943 1.00 0.00 C ATOM 520 O MET A 36 3.487 -3.765 -10.837 1.00 0.00 O ATOM 521 CB MET A 36 3.875 -0.984 -8.775 1.00 0.00 C ATOM 522 CG MET A 36 3.121 -0.096 -9.765 1.00 0.00 C ATOM 523 SD MET A 36 1.359 -0.086 -9.348 1.00 0.00 S ATOM 524 CE MET A 36 1.394 1.353 -8.251 1.00 0.00 C ATOM 0 H MET A 36 4.049 -2.366 -6.849 1.00 0.00 H new ATOM 0 HA MET A 36 2.287 -2.446 -9.124 1.00 0.00 H new ATOM 0 HB2 MET A 36 3.754 -0.600 -7.762 1.00 0.00 H new ATOM 0 HB3 MET A 36 4.942 -0.968 -8.996 1.00 0.00 H new ATOM 0 HG2 MET A 36 3.518 0.919 -9.735 1.00 0.00 H new ATOM 0 HG3 MET A 36 3.263 -0.464 -10.781 1.00 0.00 H new ATOM 0 HE1 MET A 36 0.374 1.653 -8.012 1.00 0.00 H new ATOM 0 HE2 MET A 36 1.922 1.097 -7.332 1.00 0.00 H new ATOM 0 HE3 MET A 36 1.908 2.176 -8.747 1.00 0.00 H new ATOM 534 N ARG A 37 5.390 -3.253 -9.870 1.00 0.00 N ATOM 535 CA ARG A 37 6.167 -4.005 -10.899 1.00 0.00 C ATOM 536 C ARG A 37 5.972 -5.514 -10.722 1.00 0.00 C ATOM 537 O ARG A 37 6.206 -6.289 -11.628 1.00 0.00 O ATOM 538 CB ARG A 37 7.626 -3.621 -10.650 1.00 0.00 C ATOM 539 CG ARG A 37 8.506 -4.220 -11.749 1.00 0.00 C ATOM 540 CD ARG A 37 9.863 -4.611 -11.160 1.00 0.00 C ATOM 541 NE ARG A 37 10.868 -4.056 -12.108 1.00 0.00 N ATOM 542 CZ ARG A 37 11.780 -3.225 -11.681 1.00 0.00 C ATOM 543 NH1 ARG A 37 12.206 -3.302 -10.450 1.00 0.00 N ATOM 544 NH2 ARG A 37 12.265 -2.318 -12.484 1.00 0.00 N ATOM 0 H ARG A 37 5.949 -2.805 -9.145 1.00 0.00 H new ATOM 0 HA ARG A 37 5.846 -3.764 -11.912 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.730 -2.536 -10.637 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.947 -3.984 -9.674 1.00 0.00 H new ATOM 0 HG2 ARG A 37 8.020 -5.094 -12.182 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.642 -3.498 -12.555 1.00 0.00 H new ATOM 0 HD2 ARG A 37 9.993 -4.198 -10.160 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.958 -5.693 -11.072 1.00 0.00 H new ATOM 0 HE ARG A 37 10.844 -4.325 -13.092 1.00 0.00 H new ATOM 0 HH11 ARG A 37 11.827 -4.011 -9.822 1.00 0.00 H new ATOM 0 HH12 ARG A 37 12.918 -2.653 -10.115 1.00 0.00 H new ATOM 0 HH21 ARG A 37 11.932 -2.258 -13.446 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.977 -1.669 -12.150 1.00 0.00 H new ATOM 558 N SER A 38 5.549 -5.938 -9.562 1.00 0.00 N ATOM 559 CA SER A 38 5.346 -7.396 -9.328 1.00 0.00 C ATOM 560 C SER A 38 4.153 -7.911 -10.137 1.00 0.00 C ATOM 561 O SER A 38 4.121 -9.052 -10.555 1.00 0.00 O ATOM 562 CB SER A 38 5.070 -7.522 -7.831 1.00 0.00 C ATOM 563 OG SER A 38 6.255 -7.945 -7.169 1.00 0.00 O ATOM 0 H SER A 38 5.335 -5.337 -8.766 1.00 0.00 H new ATOM 0 HA SER A 38 6.211 -7.983 -9.637 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.737 -6.565 -7.429 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.267 -8.238 -7.657 1.00 0.00 H new ATOM 0 HG SER A 38 6.082 -8.025 -6.208 1.00 0.00 H new ATOM 569 N LEU A 39 3.169 -7.084 -10.362 1.00 0.00 N ATOM 570 CA LEU A 39 1.982 -7.540 -11.144 1.00 0.00 C ATOM 571 C LEU A 39 2.387 -7.847 -12.588 1.00 0.00 C ATOM 572 O LEU A 39 1.833 -8.721 -13.224 1.00 0.00 O ATOM 573 CB LEU A 39 0.992 -6.373 -11.098 1.00 0.00 C ATOM 574 CG LEU A 39 0.203 -6.412 -9.786 1.00 0.00 C ATOM 575 CD1 LEU A 39 -0.919 -5.374 -9.836 1.00 0.00 C ATOM 576 CD2 LEU A 39 -0.405 -7.803 -9.593 1.00 0.00 C ATOM 0 H LEU A 39 3.134 -6.117 -10.041 1.00 0.00 H new ATOM 0 HA LEU A 39 1.548 -8.452 -10.734 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.527 -5.427 -11.183 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.309 -6.430 -11.945 1.00 0.00 H new ATOM 0 HG LEU A 39 0.873 -6.189 -8.956 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.481 -5.401 -8.903 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.490 -4.381 -9.973 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.586 -5.599 -10.668 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.966 -7.828 -8.659 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.074 -8.026 -10.424 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.391 -8.547 -9.558 1.00 0.00 H new ATOM 588 N GLY A 40 3.349 -7.137 -13.111 1.00 0.00 N ATOM 589 CA GLY A 40 3.785 -7.397 -14.512 1.00 0.00 C ATOM 590 C GLY A 40 4.078 -6.071 -15.218 1.00 0.00 C ATOM 591 O GLY A 40 3.805 -5.909 -16.390 1.00 0.00 O ATOM 0 H GLY A 40 3.851 -6.390 -12.630 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.675 -8.026 -14.515 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.009 -7.942 -15.049 1.00 0.00 H new ATOM 595 N LEU A 41 4.634 -5.123 -14.516 1.00 0.00 N ATOM 596 CA LEU A 41 4.946 -3.810 -15.153 1.00 0.00 C ATOM 597 C LEU A 41 6.257 -3.251 -14.595 1.00 0.00 C ATOM 598 O LEU A 41 6.877 -3.840 -13.733 1.00 0.00 O ATOM 599 CB LEU A 41 3.773 -2.895 -14.789 1.00 0.00 C ATOM 600 CG LEU A 41 3.396 -3.097 -13.321 1.00 0.00 C ATOM 601 CD1 LEU A 41 2.990 -1.755 -12.710 1.00 0.00 C ATOM 602 CD2 LEU A 41 2.221 -4.074 -13.227 1.00 0.00 C ATOM 0 H LEU A 41 4.886 -5.199 -13.531 1.00 0.00 H new ATOM 0 HA LEU A 41 5.070 -3.897 -16.232 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.044 -1.854 -14.965 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.917 -3.114 -15.427 1.00 0.00 H new ATOM 0 HG LEU A 41 4.251 -3.501 -12.778 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.721 -1.898 -11.663 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.824 -1.057 -12.778 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.135 -1.352 -13.253 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.951 -4.219 -12.181 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.367 -3.669 -13.769 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.507 -5.031 -13.664 1.00 0.00 H new ATOM 614 N SER A 42 6.686 -2.119 -15.083 1.00 0.00 N ATOM 615 CA SER A 42 7.958 -1.526 -14.580 1.00 0.00 C ATOM 616 C SER A 42 8.120 -0.097 -15.105 1.00 0.00 C ATOM 617 O SER A 42 8.731 0.122 -16.131 1.00 0.00 O ATOM 618 CB SER A 42 9.061 -2.428 -15.132 1.00 0.00 C ATOM 619 OG SER A 42 10.164 -1.628 -15.536 1.00 0.00 O ATOM 0 H SER A 42 6.212 -1.580 -15.807 1.00 0.00 H new ATOM 0 HA SER A 42 7.985 -1.469 -13.492 1.00 0.00 H new ATOM 0 HB2 SER A 42 9.375 -3.144 -14.373 1.00 0.00 H new ATOM 0 HB3 SER A 42 8.686 -3.004 -15.978 1.00 0.00 H new ATOM 0 HG SER A 42 9.902 -1.071 -16.299 1.00 0.00 H new ATOM 625 N PRO A 43 7.565 0.830 -14.373 1.00 0.00 N ATOM 626 CA PRO A 43 7.645 2.259 -14.762 1.00 0.00 C ATOM 627 C PRO A 43 9.064 2.792 -14.541 1.00 0.00 C ATOM 628 O PRO A 43 10.015 2.040 -14.466 1.00 0.00 O ATOM 629 CB PRO A 43 6.653 2.941 -13.824 1.00 0.00 C ATOM 630 CG PRO A 43 6.560 2.038 -12.636 1.00 0.00 C ATOM 631 CD PRO A 43 6.817 0.635 -13.127 1.00 0.00 C ATOM 0 HA PRO A 43 7.416 2.433 -15.813 1.00 0.00 H new ATOM 0 HB2 PRO A 43 6.999 3.934 -13.538 1.00 0.00 H new ATOM 0 HB3 PRO A 43 5.681 3.067 -14.301 1.00 0.00 H new ATOM 0 HG2 PRO A 43 7.291 2.321 -11.878 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.576 2.110 -12.173 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.391 0.057 -12.403 1.00 0.00 H new ATOM 0 HD3 PRO A 43 5.886 0.095 -13.300 1.00 0.00 H new ATOM 639 N SER A 44 9.214 4.085 -14.437 1.00 0.00 N ATOM 640 CA SER A 44 10.573 4.661 -14.223 1.00 0.00 C ATOM 641 C SER A 44 10.573 5.573 -12.993 1.00 0.00 C ATOM 642 O SER A 44 9.535 5.956 -12.491 1.00 0.00 O ATOM 643 CB SER A 44 10.864 5.467 -15.487 1.00 0.00 C ATOM 644 OG SER A 44 10.242 4.837 -16.599 1.00 0.00 O ATOM 0 H SER A 44 8.456 4.766 -14.491 1.00 0.00 H new ATOM 0 HA SER A 44 11.325 3.892 -14.048 1.00 0.00 H new ATOM 0 HB2 SER A 44 10.492 6.486 -15.376 1.00 0.00 H new ATOM 0 HB3 SER A 44 11.940 5.536 -15.648 1.00 0.00 H new ATOM 0 HG SER A 44 10.425 5.353 -17.412 1.00 0.00 H new ATOM 650 N GLU A 45 11.731 5.925 -12.503 1.00 0.00 N ATOM 651 CA GLU A 45 11.796 6.811 -11.307 1.00 0.00 C ATOM 652 C GLU A 45 10.777 7.947 -11.436 1.00 0.00 C ATOM 653 O GLU A 45 9.835 8.038 -10.674 1.00 0.00 O ATOM 654 CB GLU A 45 13.220 7.367 -11.302 1.00 0.00 C ATOM 655 CG GLU A 45 13.724 7.469 -9.860 1.00 0.00 C ATOM 656 CD GLU A 45 15.193 7.049 -9.802 1.00 0.00 C ATOM 657 OE1 GLU A 45 15.718 6.656 -10.831 1.00 0.00 O ATOM 658 OE2 GLU A 45 15.769 7.128 -8.729 1.00 0.00 O ATOM 0 H GLU A 45 12.634 5.637 -12.880 1.00 0.00 H new ATOM 0 HA GLU A 45 11.564 6.278 -10.385 1.00 0.00 H new ATOM 0 HB2 GLU A 45 13.877 6.719 -11.883 1.00 0.00 H new ATOM 0 HB3 GLU A 45 13.240 8.348 -11.776 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.612 8.490 -9.496 1.00 0.00 H new ATOM 0 HG3 GLU A 45 13.126 6.831 -9.209 1.00 0.00 H new ATOM 665 N ALA A 46 10.957 8.812 -12.397 1.00 0.00 N ATOM 666 CA ALA A 46 9.996 9.938 -12.574 1.00 0.00 C ATOM 667 C ALA A 46 8.559 9.431 -12.423 1.00 0.00 C ATOM 668 O ALA A 46 7.769 9.986 -11.685 1.00 0.00 O ATOM 669 CB ALA A 46 10.239 10.447 -13.995 1.00 0.00 C ATOM 0 H ALA A 46 11.727 8.788 -13.066 1.00 0.00 H new ATOM 0 HA ALA A 46 10.137 10.724 -11.832 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.567 11.280 -14.203 1.00 0.00 H new ATOM 0 HB2 ALA A 46 11.272 10.782 -14.090 1.00 0.00 H new ATOM 0 HB3 ALA A 46 10.051 9.643 -14.707 1.00 0.00 H new ATOM 675 N GLU A 47 8.216 8.380 -13.116 1.00 0.00 N ATOM 676 CA GLU A 47 6.830 7.838 -13.010 1.00 0.00 C ATOM 677 C GLU A 47 6.511 7.491 -11.553 1.00 0.00 C ATOM 678 O GLU A 47 5.392 7.633 -11.102 1.00 0.00 O ATOM 679 CB GLU A 47 6.832 6.577 -13.874 1.00 0.00 C ATOM 680 CG GLU A 47 5.795 6.719 -14.989 1.00 0.00 C ATOM 681 CD GLU A 47 6.103 5.718 -16.104 1.00 0.00 C ATOM 682 OE1 GLU A 47 6.102 4.531 -15.824 1.00 0.00 O ATOM 683 OE2 GLU A 47 6.334 6.156 -17.220 1.00 0.00 O ATOM 0 H GLU A 47 8.834 7.873 -13.750 1.00 0.00 H new ATOM 0 HA GLU A 47 6.078 8.555 -13.338 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.822 6.418 -14.302 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.606 5.704 -13.262 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.794 6.543 -14.594 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.807 7.735 -15.384 1.00 0.00 H new ATOM 690 N VAL A 48 7.487 7.039 -10.815 1.00 0.00 N ATOM 691 CA VAL A 48 7.240 6.685 -9.387 1.00 0.00 C ATOM 692 C VAL A 48 7.011 7.954 -8.562 1.00 0.00 C ATOM 693 O VAL A 48 6.110 8.024 -7.749 1.00 0.00 O ATOM 694 CB VAL A 48 8.513 5.971 -8.929 1.00 0.00 C ATOM 695 CG1 VAL A 48 8.243 5.243 -7.611 1.00 0.00 C ATOM 696 CG2 VAL A 48 8.938 4.956 -9.993 1.00 0.00 C ATOM 0 H VAL A 48 8.444 6.899 -11.138 1.00 0.00 H new ATOM 0 HA VAL A 48 6.356 6.060 -9.263 1.00 0.00 H new ATOM 0 HB VAL A 48 9.308 6.702 -8.784 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.150 4.734 -7.284 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.938 5.964 -6.853 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.448 4.511 -7.756 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.845 4.446 -9.668 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.143 4.225 -10.137 1.00 0.00 H new ATOM 0 HG23 VAL A 48 9.129 5.473 -10.933 1.00 0.00 H new ATOM 706 N ASN A 49 7.821 8.958 -8.764 1.00 0.00 N ATOM 707 CA ASN A 49 7.649 10.221 -7.991 1.00 0.00 C ATOM 708 C ASN A 49 6.205 10.716 -8.101 1.00 0.00 C ATOM 709 O ASN A 49 5.565 11.020 -7.114 1.00 0.00 O ATOM 710 CB ASN A 49 8.608 11.218 -8.643 1.00 0.00 C ATOM 711 CG ASN A 49 8.713 12.472 -7.773 1.00 0.00 C ATOM 712 OD1 ASN A 49 8.809 12.380 -6.565 1.00 0.00 O ATOM 713 ND2 ASN A 49 8.699 13.647 -8.339 1.00 0.00 N ATOM 0 H ASN A 49 8.593 8.958 -9.430 1.00 0.00 H new ATOM 0 HA ASN A 49 7.859 10.087 -6.930 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.592 10.765 -8.766 1.00 0.00 H new ATOM 0 HB3 ASN A 49 8.252 11.483 -9.639 1.00 0.00 H new ATOM 0 HD21 ASN A 49 8.769 14.489 -7.768 1.00 0.00 H new ATOM 0 HD22 ASN A 49 8.618 13.724 -9.353 1.00 0.00 H new ATOM 720 N ASP A 50 5.685 10.798 -9.296 1.00 0.00 N ATOM 721 CA ASP A 50 4.282 11.272 -9.467 1.00 0.00 C ATOM 722 C ASP A 50 3.304 10.253 -8.876 1.00 0.00 C ATOM 723 O ASP A 50 2.320 10.608 -8.259 1.00 0.00 O ATOM 724 CB ASP A 50 4.086 11.391 -10.979 1.00 0.00 C ATOM 725 CG ASP A 50 3.538 12.779 -11.316 1.00 0.00 C ATOM 726 OD1 ASP A 50 3.143 13.477 -10.397 1.00 0.00 O ATOM 727 OD2 ASP A 50 3.522 13.118 -12.488 1.00 0.00 O ATOM 0 H ASP A 50 6.171 10.557 -10.160 1.00 0.00 H new ATOM 0 HA ASP A 50 4.100 12.218 -8.957 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.033 11.228 -11.493 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.397 10.622 -11.329 1.00 0.00 H new ATOM 732 N LEU A 51 3.568 8.988 -9.060 1.00 0.00 N ATOM 733 CA LEU A 51 2.654 7.948 -8.508 1.00 0.00 C ATOM 734 C LEU A 51 2.480 8.142 -7.000 1.00 0.00 C ATOM 735 O LEU A 51 1.376 8.197 -6.494 1.00 0.00 O ATOM 736 CB LEU A 51 3.346 6.616 -8.801 1.00 0.00 C ATOM 737 CG LEU A 51 2.849 6.065 -10.139 1.00 0.00 C ATOM 738 CD1 LEU A 51 3.938 5.197 -10.770 1.00 0.00 C ATOM 739 CD2 LEU A 51 1.595 5.218 -9.904 1.00 0.00 C ATOM 0 H LEU A 51 4.377 8.630 -9.568 1.00 0.00 H new ATOM 0 HA LEU A 51 1.659 7.997 -8.951 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.427 6.755 -8.832 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.139 5.903 -8.003 1.00 0.00 H new ATOM 0 HG LEU A 51 2.612 6.892 -10.808 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.584 4.805 -11.723 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.832 5.798 -10.935 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.175 4.369 -10.102 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.238 4.824 -10.856 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.835 4.391 -9.236 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.818 5.835 -9.453 1.00 0.00 H new ATOM 751 N MET A 52 3.561 8.249 -6.278 1.00 0.00 N ATOM 752 CA MET A 52 3.457 8.440 -4.802 1.00 0.00 C ATOM 753 C MET A 52 2.807 9.791 -4.489 1.00 0.00 C ATOM 754 O MET A 52 1.865 9.875 -3.726 1.00 0.00 O ATOM 755 CB MET A 52 4.899 8.407 -4.296 1.00 0.00 C ATOM 756 CG MET A 52 5.189 7.043 -3.666 1.00 0.00 C ATOM 757 SD MET A 52 5.547 5.841 -4.972 1.00 0.00 S ATOM 758 CE MET A 52 4.027 4.871 -4.809 1.00 0.00 C ATOM 0 H MET A 52 4.512 8.213 -6.645 1.00 0.00 H new ATOM 0 HA MET A 52 2.842 7.675 -4.328 1.00 0.00 H new ATOM 0 HB2 MET A 52 5.589 8.593 -5.119 1.00 0.00 H new ATOM 0 HB3 MET A 52 5.057 9.199 -3.563 1.00 0.00 H new ATOM 0 HG2 MET A 52 6.036 7.118 -2.984 1.00 0.00 H new ATOM 0 HG3 MET A 52 4.333 6.713 -3.077 1.00 0.00 H new ATOM 0 HE1 MET A 52 4.074 4.007 -5.472 1.00 0.00 H new ATOM 0 HE2 MET A 52 3.920 4.532 -3.778 1.00 0.00 H new ATOM 0 HE3 MET A 52 3.170 5.489 -5.078 1.00 0.00 H new ATOM 768 N ASN A 53 3.305 10.848 -5.071 1.00 0.00 N ATOM 769 CA ASN A 53 2.715 12.191 -4.805 1.00 0.00 C ATOM 770 C ASN A 53 1.195 12.146 -4.978 1.00 0.00 C ATOM 771 O ASN A 53 0.472 12.946 -4.418 1.00 0.00 O ATOM 772 CB ASN A 53 3.347 13.113 -5.849 1.00 0.00 C ATOM 773 CG ASN A 53 4.527 13.859 -5.224 1.00 0.00 C ATOM 774 OD1 ASN A 53 4.423 14.378 -4.130 1.00 0.00 O ATOM 775 ND2 ASN A 53 5.654 13.936 -5.876 1.00 0.00 N ATOM 0 H ASN A 53 4.093 10.840 -5.718 1.00 0.00 H new ATOM 0 HA ASN A 53 2.907 12.533 -3.788 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.684 12.531 -6.707 1.00 0.00 H new ATOM 0 HB3 ASN A 53 2.607 13.824 -6.217 1.00 0.00 H new ATOM 0 HD21 ASN A 53 6.447 14.431 -5.468 1.00 0.00 H new ATOM 0 HD22 ASN A 53 5.743 13.501 -6.794 1.00 0.00 H new ATOM 782 N GLU A 54 0.704 11.216 -5.752 1.00 0.00 N ATOM 783 CA GLU A 54 -0.770 11.121 -5.960 1.00 0.00 C ATOM 784 C GLU A 54 -1.427 10.409 -4.775 1.00 0.00 C ATOM 785 O GLU A 54 -2.636 10.342 -4.672 1.00 0.00 O ATOM 786 CB GLU A 54 -0.937 10.301 -7.240 1.00 0.00 C ATOM 787 CG GLU A 54 -1.719 11.116 -8.271 1.00 0.00 C ATOM 788 CD GLU A 54 -2.955 10.330 -8.713 1.00 0.00 C ATOM 789 OE1 GLU A 54 -3.482 9.587 -7.901 1.00 0.00 O ATOM 790 OE2 GLU A 54 -3.355 10.484 -9.855 1.00 0.00 O ATOM 0 H GLU A 54 1.259 10.519 -6.249 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.240 12.101 -6.040 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.040 10.030 -7.641 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.462 9.371 -7.022 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.018 12.073 -7.843 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.087 11.335 -9.132 1.00 0.00 H new ATOM 797 N ILE A 55 -0.641 9.875 -3.881 1.00 0.00 N ATOM 798 CA ILE A 55 -1.222 9.168 -2.704 1.00 0.00 C ATOM 799 C ILE A 55 -0.423 9.498 -1.440 1.00 0.00 C ATOM 800 O ILE A 55 -0.980 9.751 -0.390 1.00 0.00 O ATOM 801 CB ILE A 55 -1.108 7.681 -3.038 1.00 0.00 C ATOM 802 CG1 ILE A 55 -1.706 6.855 -1.898 1.00 0.00 C ATOM 803 CG2 ILE A 55 0.366 7.310 -3.216 1.00 0.00 C ATOM 804 CD1 ILE A 55 -1.388 5.375 -2.118 1.00 0.00 C ATOM 0 H ILE A 55 0.378 9.897 -3.914 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.253 9.464 -2.513 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.650 7.474 -3.961 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.300 7.187 -0.943 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.785 7.003 -1.855 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.448 6.250 -3.454 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.794 7.898 -4.028 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.907 7.517 -2.293 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.814 4.787 -1.305 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.815 5.048 -3.066 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.307 5.234 -2.140 1.00 0.00 H new ATOM 816 N ASP A 56 0.879 9.497 -1.533 1.00 0.00 N ATOM 817 CA ASP A 56 1.711 9.810 -0.336 1.00 0.00 C ATOM 818 C ASP A 56 1.370 11.205 0.196 1.00 0.00 C ATOM 819 O ASP A 56 1.353 12.173 -0.538 1.00 0.00 O ATOM 820 CB ASP A 56 3.156 9.766 -0.836 1.00 0.00 C ATOM 821 CG ASP A 56 4.085 10.335 0.238 1.00 0.00 C ATOM 822 OD1 ASP A 56 3.951 9.935 1.383 1.00 0.00 O ATOM 823 OD2 ASP A 56 4.916 11.160 -0.104 1.00 0.00 O ATOM 0 H ASP A 56 1.402 9.293 -2.385 1.00 0.00 H new ATOM 0 HA ASP A 56 1.540 9.108 0.480 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.440 8.740 -1.071 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.251 10.342 -1.757 1.00 0.00 H new ATOM 828 N VAL A 57 1.097 11.314 1.468 1.00 0.00 N ATOM 829 CA VAL A 57 0.757 12.647 2.045 1.00 0.00 C ATOM 830 C VAL A 57 1.681 12.964 3.223 1.00 0.00 C ATOM 831 O VAL A 57 1.968 14.110 3.509 1.00 0.00 O ATOM 832 CB VAL A 57 -0.691 12.514 2.519 1.00 0.00 C ATOM 833 CG1 VAL A 57 -0.753 11.557 3.710 1.00 0.00 C ATOM 834 CG2 VAL A 57 -1.215 13.888 2.943 1.00 0.00 C ATOM 0 H VAL A 57 1.095 10.540 2.132 1.00 0.00 H new ATOM 0 HA VAL A 57 0.877 13.454 1.322 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.305 12.123 1.707 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.785 11.463 4.047 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.378 10.578 3.410 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.140 11.947 4.522 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.247 13.795 3.281 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.601 14.277 3.755 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.171 14.572 2.095 1.00 0.00 H new ATOM 844 N ASP A 58 2.150 11.958 3.910 1.00 0.00 N ATOM 845 CA ASP A 58 3.055 12.203 5.069 1.00 0.00 C ATOM 846 C ASP A 58 4.389 11.482 4.860 1.00 0.00 C ATOM 847 O ASP A 58 5.253 11.495 5.715 1.00 0.00 O ATOM 848 CB ASP A 58 2.317 11.625 6.277 1.00 0.00 C ATOM 849 CG ASP A 58 1.759 10.246 5.924 1.00 0.00 C ATOM 850 OD1 ASP A 58 2.491 9.279 6.065 1.00 0.00 O ATOM 851 OD2 ASP A 58 0.611 10.179 5.518 1.00 0.00 O ATOM 0 H ASP A 58 1.946 10.977 3.719 1.00 0.00 H new ATOM 0 HA ASP A 58 3.283 13.261 5.198 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.995 11.548 7.127 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.507 12.291 6.574 1.00 0.00 H new ATOM 856 N GLY A 59 4.564 10.854 3.730 1.00 0.00 N ATOM 857 CA GLY A 59 5.842 10.133 3.468 1.00 0.00 C ATOM 858 C GLY A 59 5.613 8.625 3.587 1.00 0.00 C ATOM 859 O GLY A 59 5.555 7.917 2.602 1.00 0.00 O ATOM 0 H GLY A 59 3.878 10.809 2.977 1.00 0.00 H new ATOM 0 HA2 GLY A 59 6.212 10.378 2.472 1.00 0.00 H new ATOM 0 HA3 GLY A 59 6.604 10.453 4.179 1.00 0.00 H new ATOM 863 N ASN A 60 5.482 8.129 4.787 1.00 0.00 N ATOM 864 CA ASN A 60 5.256 6.665 4.967 1.00 0.00 C ATOM 865 C ASN A 60 3.789 6.396 5.314 1.00 0.00 C ATOM 866 O ASN A 60 3.484 5.707 6.268 1.00 0.00 O ATOM 867 CB ASN A 60 6.164 6.266 6.130 1.00 0.00 C ATOM 868 CG ASN A 60 7.627 6.383 5.700 1.00 0.00 C ATOM 869 OD1 ASN A 60 7.974 6.043 4.586 1.00 0.00 O ATOM 870 ND2 ASN A 60 8.507 6.853 6.541 1.00 0.00 N ATOM 0 H ASN A 60 5.521 8.672 5.649 1.00 0.00 H new ATOM 0 HA ASN A 60 5.478 6.097 4.063 1.00 0.00 H new ATOM 0 HB2 ASN A 60 5.974 6.908 6.990 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.946 5.244 6.441 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.485 6.935 6.263 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.217 7.139 7.476 1.00 0.00 H new ATOM 877 N HIS A 61 2.880 6.934 4.548 1.00 0.00 N ATOM 878 CA HIS A 61 1.435 6.708 4.835 1.00 0.00 C ATOM 879 C HIS A 61 1.080 5.232 4.638 1.00 0.00 C ATOM 880 O HIS A 61 1.805 4.488 4.008 1.00 0.00 O ATOM 881 CB HIS A 61 0.690 7.578 3.821 1.00 0.00 C ATOM 882 CG HIS A 61 0.819 6.975 2.449 1.00 0.00 C ATOM 883 ND1 HIS A 61 1.818 6.068 2.132 1.00 0.00 N ATOM 884 CD2 HIS A 61 0.084 7.139 1.301 1.00 0.00 C ATOM 885 CE1 HIS A 61 1.657 5.723 0.841 1.00 0.00 C ATOM 886 NE2 HIS A 61 0.614 6.348 0.288 1.00 0.00 N ATOM 0 H HIS A 61 3.075 7.520 3.736 1.00 0.00 H new ATOM 0 HA HIS A 61 1.173 6.962 5.862 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -0.361 7.657 4.097 1.00 0.00 H new ATOM 0 HB3 HIS A 61 1.097 8.589 3.825 1.00 0.00 H new ATOM 0 HD1 HIS A 61 2.543 5.725 2.762 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -0.776 7.785 1.200 1.00 0.00 H new ATOM 0 HE1 HIS A 61 2.293 5.026 0.316 1.00 0.00 H new ATOM 894 N GLN A 62 -0.031 4.802 5.172 1.00 0.00 N ATOM 895 CA GLN A 62 -0.431 3.375 5.015 1.00 0.00 C ATOM 896 C GLN A 62 -1.387 3.223 3.829 1.00 0.00 C ATOM 897 O GLN A 62 -2.552 3.555 3.911 1.00 0.00 O ATOM 898 CB GLN A 62 -1.137 3.015 6.322 1.00 0.00 C ATOM 899 CG GLN A 62 -2.282 3.999 6.572 1.00 0.00 C ATOM 900 CD GLN A 62 -1.962 4.850 7.804 1.00 0.00 C ATOM 901 OE1 GLN A 62 -0.825 4.933 8.221 1.00 0.00 O ATOM 902 NE2 GLN A 62 -2.926 5.491 8.406 1.00 0.00 N ATOM 0 H GLN A 62 -0.679 5.378 5.710 1.00 0.00 H new ATOM 0 HA GLN A 62 0.422 2.725 4.821 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.523 1.997 6.271 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -0.429 3.046 7.150 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -2.423 4.639 5.701 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -3.215 3.457 6.723 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -3.881 5.421 8.056 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -2.724 6.062 9.227 1.00 0.00 H new ATOM 911 N ILE A 63 -0.902 2.722 2.725 1.00 0.00 N ATOM 912 CA ILE A 63 -1.783 2.549 1.534 1.00 0.00 C ATOM 913 C ILE A 63 -2.800 1.431 1.784 1.00 0.00 C ATOM 914 O ILE A 63 -2.542 0.497 2.516 1.00 0.00 O ATOM 915 CB ILE A 63 -0.838 2.167 0.395 1.00 0.00 C ATOM 916 CG1 ILE A 63 0.138 3.318 0.137 1.00 0.00 C ATOM 917 CG2 ILE A 63 -1.649 1.893 -0.872 1.00 0.00 C ATOM 918 CD1 ILE A 63 1.082 2.937 -1.005 1.00 0.00 C ATOM 0 H ILE A 63 0.065 2.425 2.596 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.352 3.451 1.308 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.281 1.271 0.669 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.411 4.225 -0.117 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.710 3.534 1.040 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.975 1.621 -1.684 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.345 1.075 -0.689 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.206 2.788 -1.148 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.778 3.755 -1.190 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.640 2.041 -0.732 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.502 2.743 -1.907 1.00 0.00 H new ATOM 930 N GLU A 64 -3.952 1.521 1.179 1.00 0.00 N ATOM 931 CA GLU A 64 -4.984 0.462 1.381 1.00 0.00 C ATOM 932 C GLU A 64 -5.207 -0.308 0.077 1.00 0.00 C ATOM 933 O GLU A 64 -5.431 0.272 -0.967 1.00 0.00 O ATOM 934 CB GLU A 64 -6.251 1.217 1.785 1.00 0.00 C ATOM 935 CG GLU A 64 -6.214 1.511 3.285 1.00 0.00 C ATOM 936 CD GLU A 64 -7.544 1.102 3.919 1.00 0.00 C ATOM 937 OE1 GLU A 64 -8.231 0.282 3.331 1.00 0.00 O ATOM 938 OE2 GLU A 64 -7.854 1.614 4.983 1.00 0.00 O ATOM 0 H GLU A 64 -4.224 2.280 0.554 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.689 -0.268 2.135 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.327 2.148 1.223 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.133 0.625 1.541 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.394 0.967 3.753 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.030 2.572 3.454 1.00 0.00 H new ATOM 945 N PHE A 65 -5.149 -1.611 0.129 1.00 0.00 N ATOM 946 CA PHE A 65 -5.358 -2.417 -1.109 1.00 0.00 C ATOM 947 C PHE A 65 -6.528 -1.851 -1.918 1.00 0.00 C ATOM 948 O PHE A 65 -6.534 -1.893 -3.132 1.00 0.00 O ATOM 949 CB PHE A 65 -5.680 -3.827 -0.614 1.00 0.00 C ATOM 950 CG PHE A 65 -5.848 -4.749 -1.797 1.00 0.00 C ATOM 951 CD1 PHE A 65 -4.844 -4.831 -2.769 1.00 0.00 C ATOM 952 CD2 PHE A 65 -7.009 -5.522 -1.922 1.00 0.00 C ATOM 953 CE1 PHE A 65 -5.001 -5.686 -3.867 1.00 0.00 C ATOM 954 CE2 PHE A 65 -7.165 -6.377 -3.020 1.00 0.00 C ATOM 955 CZ PHE A 65 -6.161 -6.459 -3.992 1.00 0.00 C ATOM 0 H PHE A 65 -4.966 -2.152 0.974 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.486 -2.404 -1.762 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -4.880 -4.189 0.032 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.591 -3.815 -0.016 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.949 -4.235 -2.672 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -7.784 -5.459 -1.172 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.227 -5.749 -4.617 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -8.060 -6.973 -3.117 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.282 -7.119 -4.838 1.00 0.00 H new ATOM 965 N SER A 66 -7.519 -1.321 -1.255 1.00 0.00 N ATOM 966 CA SER A 66 -8.687 -0.754 -1.988 1.00 0.00 C ATOM 967 C SER A 66 -8.259 0.477 -2.790 1.00 0.00 C ATOM 968 O SER A 66 -8.147 0.434 -4.000 1.00 0.00 O ATOM 969 CB SER A 66 -9.686 -0.364 -0.900 1.00 0.00 C ATOM 970 OG SER A 66 -9.002 -0.230 0.339 1.00 0.00 O ATOM 0 H SER A 66 -7.571 -1.256 -0.238 1.00 0.00 H new ATOM 0 HA SER A 66 -9.114 -1.463 -2.697 1.00 0.00 H new ATOM 0 HB2 SER A 66 -10.178 0.573 -1.161 1.00 0.00 H new ATOM 0 HB3 SER A 66 -10.466 -1.121 -0.818 1.00 0.00 H new ATOM 0 HG SER A 66 -9.632 0.063 1.030 1.00 0.00 H new ATOM 976 N GLU A 67 -8.019 1.576 -2.128 1.00 0.00 N ATOM 977 CA GLU A 67 -7.598 2.808 -2.856 1.00 0.00 C ATOM 978 C GLU A 67 -6.432 2.493 -3.797 1.00 0.00 C ATOM 979 O GLU A 67 -6.310 3.064 -4.862 1.00 0.00 O ATOM 980 CB GLU A 67 -7.157 3.782 -1.762 1.00 0.00 C ATOM 981 CG GLU A 67 -5.882 3.260 -1.096 1.00 0.00 C ATOM 982 CD GLU A 67 -5.453 4.224 0.011 1.00 0.00 C ATOM 983 OE1 GLU A 67 -6.298 4.966 0.485 1.00 0.00 O ATOM 984 OE2 GLU A 67 -4.286 4.203 0.368 1.00 0.00 O ATOM 0 H GLU A 67 -8.096 1.675 -1.116 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.399 3.220 -3.470 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.979 4.769 -2.189 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.948 3.894 -1.020 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.056 2.267 -0.681 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.087 3.161 -1.835 1.00 0.00 H new ATOM 991 N PHE A 68 -5.575 1.588 -3.411 1.00 0.00 N ATOM 992 CA PHE A 68 -4.418 1.237 -4.284 1.00 0.00 C ATOM 993 C PHE A 68 -4.908 0.865 -5.687 1.00 0.00 C ATOM 994 O PHE A 68 -4.561 1.497 -6.664 1.00 0.00 O ATOM 995 CB PHE A 68 -3.762 0.032 -3.608 1.00 0.00 C ATOM 996 CG PHE A 68 -2.814 -0.638 -4.573 1.00 0.00 C ATOM 997 CD1 PHE A 68 -2.188 0.114 -5.576 1.00 0.00 C ATOM 998 CD2 PHE A 68 -2.562 -2.010 -4.467 1.00 0.00 C ATOM 999 CE1 PHE A 68 -1.310 -0.508 -6.470 1.00 0.00 C ATOM 1000 CE2 PHE A 68 -1.683 -2.632 -5.362 1.00 0.00 C ATOM 1001 CZ PHE A 68 -1.057 -1.882 -6.363 1.00 0.00 C ATOM 0 H PHE A 68 -5.625 1.077 -2.530 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.722 2.067 -4.400 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.223 0.352 -2.716 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.525 -0.675 -3.283 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -2.383 1.173 -5.659 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -3.046 -2.590 -3.695 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.827 0.071 -7.243 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -1.488 -3.691 -5.279 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.379 -2.362 -7.053 1.00 0.00 H new ATOM 1011 N LEU A 69 -5.711 -0.158 -5.792 1.00 0.00 N ATOM 1012 CA LEU A 69 -6.221 -0.571 -7.131 1.00 0.00 C ATOM 1013 C LEU A 69 -7.314 0.394 -7.600 1.00 0.00 C ATOM 1014 O LEU A 69 -7.357 0.786 -8.749 1.00 0.00 O ATOM 1015 CB LEU A 69 -6.795 -1.972 -6.921 1.00 0.00 C ATOM 1016 CG LEU A 69 -5.713 -3.015 -7.208 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -4.422 -2.627 -6.485 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -6.181 -4.384 -6.710 1.00 0.00 C ATOM 0 H LEU A 69 -6.036 -0.726 -5.009 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.441 -0.561 -7.892 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.156 -2.079 -5.898 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.650 -2.129 -7.579 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.529 -3.059 -8.281 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.652 -3.371 -6.690 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.087 -1.651 -6.837 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.606 -2.582 -5.412 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.411 -5.128 -6.914 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.365 -4.337 -5.637 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.101 -4.663 -7.224 1.00 0.00 H new ATOM 1030 N ALA A 70 -8.196 0.780 -6.720 1.00 0.00 N ATOM 1031 CA ALA A 70 -9.284 1.720 -7.117 1.00 0.00 C ATOM 1032 C ALA A 70 -8.701 2.898 -7.903 1.00 0.00 C ATOM 1033 O ALA A 70 -9.378 3.523 -8.695 1.00 0.00 O ATOM 1034 CB ALA A 70 -9.893 2.201 -5.800 1.00 0.00 C ATOM 0 H ALA A 70 -8.211 0.486 -5.743 1.00 0.00 H new ATOM 0 HA ALA A 70 -10.027 1.246 -7.759 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -10.704 2.899 -6.008 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -10.282 1.347 -5.246 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.128 2.700 -5.206 1.00 0.00 H new ATOM 1040 N LEU A 71 -7.451 3.203 -7.689 1.00 0.00 N ATOM 1041 CA LEU A 71 -6.825 4.340 -8.424 1.00 0.00 C ATOM 1042 C LEU A 71 -5.903 3.813 -9.527 1.00 0.00 C ATOM 1043 O LEU A 71 -5.732 4.435 -10.556 1.00 0.00 O ATOM 1044 CB LEU A 71 -6.021 5.099 -7.368 1.00 0.00 C ATOM 1045 CG LEU A 71 -6.925 6.113 -6.667 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -8.103 5.383 -6.018 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -6.125 6.847 -5.588 1.00 0.00 C ATOM 0 H LEU A 71 -6.836 2.715 -7.038 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.565 4.977 -8.908 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.607 4.401 -6.640 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.179 5.609 -7.835 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.299 6.832 -7.396 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.748 6.106 -5.518 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.673 4.858 -6.785 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.729 4.665 -5.288 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.768 7.571 -5.087 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.752 6.128 -4.859 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.284 7.366 -6.048 1.00 0.00 H new ATOM 1059 N MET A 72 -5.308 2.670 -9.319 1.00 0.00 N ATOM 1060 CA MET A 72 -4.398 2.104 -10.356 1.00 0.00 C ATOM 1061 C MET A 72 -5.194 1.732 -11.611 1.00 0.00 C ATOM 1062 O MET A 72 -4.665 1.697 -12.704 1.00 0.00 O ATOM 1063 CB MET A 72 -3.795 0.855 -9.713 1.00 0.00 C ATOM 1064 CG MET A 72 -2.291 1.057 -9.516 1.00 0.00 C ATOM 1065 SD MET A 72 -1.523 1.455 -11.106 1.00 0.00 S ATOM 1066 CE MET A 72 -0.732 3.001 -10.595 1.00 0.00 C ATOM 0 H MET A 72 -5.412 2.104 -8.477 1.00 0.00 H new ATOM 0 HA MET A 72 -3.631 2.814 -10.666 1.00 0.00 H new ATOM 0 HB2 MET A 72 -4.275 0.659 -8.754 1.00 0.00 H new ATOM 0 HB3 MET A 72 -3.976 -0.015 -10.344 1.00 0.00 H new ATOM 0 HG2 MET A 72 -2.112 1.861 -8.802 1.00 0.00 H new ATOM 0 HG3 MET A 72 -1.843 0.155 -9.099 1.00 0.00 H new ATOM 0 HE1 MET A 72 -0.912 3.768 -11.348 1.00 0.00 H new ATOM 0 HE2 MET A 72 -1.148 3.324 -9.641 1.00 0.00 H new ATOM 0 HE3 MET A 72 0.341 2.843 -10.488 1.00 0.00 H new ATOM 1076 N SER A 73 -6.460 1.454 -11.462 1.00 0.00 N ATOM 1077 CA SER A 73 -7.287 1.085 -12.646 1.00 0.00 C ATOM 1078 C SER A 73 -7.268 2.216 -13.677 1.00 0.00 C ATOM 1079 O SER A 73 -7.647 2.037 -14.817 1.00 0.00 O ATOM 1080 CB SER A 73 -8.698 0.884 -12.097 1.00 0.00 C ATOM 1081 OG SER A 73 -8.931 -0.504 -11.897 1.00 0.00 O ATOM 0 H SER A 73 -6.958 1.466 -10.572 1.00 0.00 H new ATOM 0 HA SER A 73 -6.914 0.192 -13.148 1.00 0.00 H new ATOM 0 HB2 SER A 73 -8.815 1.423 -11.157 1.00 0.00 H new ATOM 0 HB3 SER A 73 -9.432 1.291 -12.792 1.00 0.00 H new ATOM 0 HG SER A 73 -9.835 -0.636 -11.543 1.00 0.00 H new ATOM 1087 N ARG A 74 -6.830 3.381 -13.286 1.00 0.00 N ATOM 1088 CA ARG A 74 -6.788 4.523 -14.244 1.00 0.00 C ATOM 1089 C ARG A 74 -6.057 4.111 -15.525 1.00 0.00 C ATOM 1090 O ARG A 74 -6.560 4.277 -16.619 1.00 0.00 O ATOM 1091 CB ARG A 74 -6.016 5.624 -13.516 1.00 0.00 C ATOM 1092 CG ARG A 74 -6.975 6.752 -13.130 1.00 0.00 C ATOM 1093 CD ARG A 74 -7.164 7.691 -14.324 1.00 0.00 C ATOM 1094 NE ARG A 74 -7.185 9.060 -13.736 1.00 0.00 N ATOM 1095 CZ ARG A 74 -6.066 9.699 -13.530 1.00 0.00 C ATOM 1096 NH1 ARG A 74 -4.952 9.034 -13.382 1.00 0.00 N ATOM 1097 NH2 ARG A 74 -6.060 11.002 -13.473 1.00 0.00 N ATOM 0 H ARG A 74 -6.499 3.592 -12.345 1.00 0.00 H new ATOM 0 HA ARG A 74 -7.785 4.852 -14.539 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -5.538 5.218 -12.625 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -5.223 6.010 -14.156 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -7.936 6.338 -12.823 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -6.579 7.305 -12.278 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -6.353 7.583 -15.044 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -8.092 7.474 -14.854 1.00 0.00 H new ATOM 0 HE ARG A 74 -8.074 9.498 -13.494 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -4.956 8.015 -13.427 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -4.077 9.534 -13.221 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -6.930 11.522 -13.589 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -5.185 11.501 -13.312 1.00 0.00 H new ATOM 1111 N GLN A 75 -4.873 3.577 -15.397 1.00 0.00 N ATOM 1112 CA GLN A 75 -4.112 3.156 -16.609 1.00 0.00 C ATOM 1113 C GLN A 75 -2.910 2.297 -16.206 1.00 0.00 C ATOM 1114 O GLN A 75 -1.901 2.799 -15.750 1.00 0.00 O ATOM 1115 CB GLN A 75 -3.645 4.461 -17.257 1.00 0.00 C ATOM 1116 CG GLN A 75 -4.676 4.913 -18.292 1.00 0.00 C ATOM 1117 CD GLN A 75 -3.958 5.359 -19.567 1.00 0.00 C ATOM 1118 OE1 GLN A 75 -3.811 6.540 -19.814 1.00 0.00 O ATOM 1119 NE2 GLN A 75 -3.500 4.458 -20.393 1.00 0.00 N ATOM 0 H GLN A 75 -4.400 3.414 -14.508 1.00 0.00 H new ATOM 0 HA GLN A 75 -4.717 2.557 -17.289 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -3.515 5.231 -16.497 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -2.675 4.317 -17.733 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -5.364 4.098 -18.516 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -5.273 5.733 -17.892 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -3.623 3.467 -20.186 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -3.019 4.745 -21.245 1.00 0.00 H new ATOM 1128 N LEU A 76 -3.010 1.007 -16.370 1.00 0.00 N ATOM 1129 CA LEU A 76 -1.873 0.118 -15.997 1.00 0.00 C ATOM 1130 C LEU A 76 -1.487 -0.773 -17.181 1.00 0.00 C ATOM 1131 O LEU A 76 -2.320 -1.169 -17.971 1.00 0.00 O ATOM 1132 CB LEU A 76 -2.398 -0.732 -14.837 1.00 0.00 C ATOM 1133 CG LEU A 76 -1.451 -1.907 -14.596 1.00 0.00 C ATOM 1134 CD1 LEU A 76 -1.484 -2.295 -13.116 1.00 0.00 C ATOM 1135 CD2 LEU A 76 -1.897 -3.101 -15.443 1.00 0.00 C ATOM 0 H LEU A 76 -3.829 0.530 -16.746 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.982 0.682 -15.720 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.479 -0.125 -13.935 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.399 -1.099 -15.065 1.00 0.00 H new ATOM 0 HG LEU A 76 -0.437 -1.619 -14.874 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.809 -3.133 -12.944 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.169 -1.445 -12.510 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.498 -2.583 -12.838 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.223 -3.940 -15.272 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.911 -3.387 -15.163 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.876 -2.827 -16.498 1.00 0.00 H new ATOM 1147 N LYS A 77 -0.227 -1.090 -17.311 1.00 0.00 N ATOM 1148 CA LYS A 77 0.211 -1.954 -18.444 1.00 0.00 C ATOM 1149 C LYS A 77 0.609 -3.340 -17.930 1.00 0.00 C ATOM 1150 O LYS A 77 0.915 -3.449 -16.753 1.00 0.00 O ATOM 1151 CB LYS A 77 1.421 -1.237 -19.044 1.00 0.00 C ATOM 1152 CG LYS A 77 1.071 -0.728 -20.444 1.00 0.00 C ATOM 1153 CD LYS A 77 1.820 0.577 -20.716 1.00 0.00 C ATOM 1154 CE LYS A 77 3.307 0.388 -20.402 1.00 0.00 C ATOM 1155 NZ LYS A 77 3.590 1.342 -19.294 1.00 0.00 N ATOM 1156 OXT LYS A 77 0.603 -4.268 -18.721 1.00 0.00 O ATOM 0 H LYS A 77 0.517 -0.788 -16.682 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.580 -2.104 -19.179 1.00 0.00 H new ATOM 0 HB2 LYS A 77 1.716 -0.404 -18.406 1.00 0.00 H new ATOM 0 HB3 LYS A 77 2.271 -1.917 -19.095 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.338 -1.475 -21.191 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.004 -0.566 -20.525 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.692 0.872 -21.758 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.408 1.380 -20.105 1.00 0.00 H new ATOM 0 HE2 LYS A 77 3.520 -0.638 -20.103 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.925 0.601 -21.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 4.376 0.980 -18.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 3.850 2.268 -19.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.743 1.445 -18.700 1.00 0.00 H new TER 1170 LYS A 77