USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=18 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 28 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 60 ASN : amide:sc= -0.0441 X(o=-0.044,f=-0.15) USER MOD Set 2.1: A 24 ASN : amide:sc= -2.91! C(o=-3.7!,f=-16!) USER MOD Set 2.2: A 26 SER OG : rot -34:sc= -0.822! USER MOD Set 3.1: A 1 SER OG : rot -119:sc= 0.174 USER MOD Set 3.2: A 8 GLN : amide:sc= -0.256 X(o=-0.082,f=-0.079) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 ASN : amide:sc= 0.556 K(o=0.56,f=-6.3!) USER MOD Single : A 5 THR OG1 : rot 180:sc= -1.63! USER MOD Single : A 13 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.0928) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.0356 X(o=-0.036,f=-0.034) USER MOD Single : A 29 SER OG : rot 180:sc= -0.584 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 36 MET CE :methyl 137:sc= -0.141 (180deg=-0.827) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot -160:sc= -1.68! USER MOD Single : A 44 SER OG : rot 180:sc= -0.413 USER MOD Single : A 49 ASN : amide:sc= -0.166 X(o=-0.17,f=0) USER MOD Single : A 52 MET CE :methyl -148:sc= -1.25 (180deg=-1.63) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 HIS : no HE2:sc= -10.8! C(o=-11!,f=-12!) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 66 SER OG : rot 180:sc= 0.136 USER MOD Single : A 72 MET CE :methyl -172:sc= -0.336 (180deg=-0.585) USER MOD Single : A 73 SER OG : rot -134:sc= 0.108 USER MOD Single : A 75 GLN : amide:sc= -0.6 X(o=-0.6,f=-0.26) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -7.056 -9.703 -22.556 1.00 0.00 N ATOM 2 CA SER A 1 -7.403 -8.978 -21.300 1.00 0.00 C ATOM 3 C SER A 1 -6.792 -7.574 -21.315 1.00 0.00 C ATOM 4 O SER A 1 -5.753 -7.332 -20.732 1.00 0.00 O ATOM 5 CB SER A 1 -6.793 -9.816 -20.179 1.00 0.00 C ATOM 6 OG SER A 1 -7.611 -9.717 -19.019 1.00 0.00 O ATOM 0 H1 SER A 1 -7.476 -10.654 -22.535 1.00 0.00 H new ATOM 0 H2 SER A 1 -7.428 -9.179 -23.374 1.00 0.00 H new ATOM 0 H3 SER A 1 -6.022 -9.782 -22.637 1.00 0.00 H new ATOM 0 HA SER A 1 -8.479 -8.855 -21.177 1.00 0.00 H new ATOM 0 HB2 SER A 1 -6.710 -10.857 -20.492 1.00 0.00 H new ATOM 0 HB3 SER A 1 -5.784 -9.468 -19.957 1.00 0.00 H new ATOM 0 HG SER A 1 -7.092 -9.325 -18.285 1.00 0.00 H new ATOM 14 N SER A 2 -7.429 -6.646 -21.975 1.00 0.00 N ATOM 15 CA SER A 2 -6.885 -5.259 -22.025 1.00 0.00 C ATOM 16 C SER A 2 -7.432 -4.433 -20.858 1.00 0.00 C ATOM 17 O SER A 2 -7.407 -3.218 -20.878 1.00 0.00 O ATOM 18 CB SER A 2 -7.370 -4.691 -23.357 1.00 0.00 C ATOM 19 OG SER A 2 -6.248 -4.398 -24.180 1.00 0.00 O ATOM 0 H SER A 2 -8.303 -6.788 -22.482 1.00 0.00 H new ATOM 0 HA SER A 2 -5.798 -5.239 -21.945 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.023 -5.408 -23.855 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.957 -3.788 -23.188 1.00 0.00 H new ATOM 0 HG SER A 2 -6.556 -4.035 -25.036 1.00 0.00 H new ATOM 25 N ASN A 3 -7.926 -5.082 -19.839 1.00 0.00 N ATOM 26 CA ASN A 3 -8.474 -4.333 -18.671 1.00 0.00 C ATOM 27 C ASN A 3 -8.417 -5.202 -17.413 1.00 0.00 C ATOM 28 O ASN A 3 -7.859 -6.282 -17.417 1.00 0.00 O ATOM 29 CB ASN A 3 -9.924 -4.024 -19.046 1.00 0.00 C ATOM 30 CG ASN A 3 -10.366 -2.734 -18.352 1.00 0.00 C ATOM 31 OD1 ASN A 3 -9.816 -2.356 -17.337 1.00 0.00 O ATOM 32 ND2 ASN A 3 -11.342 -2.035 -18.864 1.00 0.00 N ATOM 0 H ASN A 3 -7.974 -6.098 -19.764 1.00 0.00 H new ATOM 0 HA ASN A 3 -7.907 -3.427 -18.456 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -10.017 -3.918 -20.127 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -10.571 -4.849 -18.750 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -11.643 -1.172 -18.412 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -11.804 -2.352 -19.716 1.00 0.00 H new ATOM 39 N LEU A 4 -8.991 -4.741 -16.335 1.00 0.00 N ATOM 40 CA LEU A 4 -8.969 -5.542 -15.078 1.00 0.00 C ATOM 41 C LEU A 4 -10.216 -6.426 -14.992 1.00 0.00 C ATOM 42 O LEU A 4 -11.154 -6.268 -15.747 1.00 0.00 O ATOM 43 CB LEU A 4 -8.965 -4.510 -13.950 1.00 0.00 C ATOM 44 CG LEU A 4 -8.002 -4.959 -12.849 1.00 0.00 C ATOM 45 CD1 LEU A 4 -6.570 -4.953 -13.387 1.00 0.00 C ATOM 46 CD2 LEU A 4 -8.104 -3.999 -11.662 1.00 0.00 C ATOM 0 H LEU A 4 -9.474 -3.845 -16.270 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.106 -6.205 -15.027 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.664 -3.536 -14.335 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.970 -4.396 -13.544 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.264 -5.967 -12.527 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -5.885 -5.273 -12.602 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.496 -5.636 -14.233 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -6.307 -3.946 -13.710 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -7.419 -4.317 -10.877 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -7.842 -2.991 -11.985 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.124 -4.003 -11.277 1.00 0.00 H new ATOM 58 N THR A 5 -10.231 -7.355 -14.077 1.00 0.00 N ATOM 59 CA THR A 5 -11.416 -8.250 -13.939 1.00 0.00 C ATOM 60 C THR A 5 -11.394 -8.948 -12.578 1.00 0.00 C ATOM 61 O THR A 5 -10.717 -8.524 -11.663 1.00 0.00 O ATOM 62 CB THR A 5 -11.276 -9.273 -15.068 1.00 0.00 C ATOM 63 OG1 THR A 5 -10.483 -8.723 -16.111 1.00 0.00 O ATOM 64 CG2 THR A 5 -12.661 -9.628 -15.612 1.00 0.00 C ATOM 0 H THR A 5 -9.474 -7.534 -13.418 1.00 0.00 H new ATOM 0 HA THR A 5 -12.356 -7.702 -14.001 1.00 0.00 H new ATOM 0 HB THR A 5 -10.796 -10.173 -14.684 1.00 0.00 H new ATOM 0 HG1 THR A 5 -10.392 -9.379 -16.834 1.00 0.00 H new ATOM 0 HG21 THR A 5 -12.560 -10.357 -16.416 1.00 0.00 H new ATOM 0 HG22 THR A 5 -13.268 -10.052 -14.812 1.00 0.00 H new ATOM 0 HG23 THR A 5 -13.143 -8.729 -15.996 1.00 0.00 H new ATOM 72 N GLU A 6 -12.128 -10.018 -12.434 1.00 0.00 N ATOM 73 CA GLU A 6 -12.144 -10.741 -11.130 1.00 0.00 C ATOM 74 C GLU A 6 -10.800 -11.437 -10.898 1.00 0.00 C ATOM 75 O GLU A 6 -10.246 -11.393 -9.817 1.00 0.00 O ATOM 76 CB GLU A 6 -13.270 -11.769 -11.258 1.00 0.00 C ATOM 77 CG GLU A 6 -12.936 -12.760 -12.373 1.00 0.00 C ATOM 78 CD GLU A 6 -14.150 -13.649 -12.648 1.00 0.00 C ATOM 79 OE1 GLU A 6 -14.746 -14.115 -11.690 1.00 0.00 O ATOM 80 OE2 GLU A 6 -14.463 -13.849 -13.809 1.00 0.00 O ATOM 0 H GLU A 6 -12.717 -10.422 -13.162 1.00 0.00 H new ATOM 0 HA GLU A 6 -12.304 -10.070 -10.286 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -13.401 -12.299 -10.314 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -14.212 -11.266 -11.475 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -12.653 -12.223 -13.278 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -12.081 -13.372 -12.085 1.00 0.00 H new ATOM 87 N GLU A 7 -10.269 -12.076 -11.905 1.00 0.00 N ATOM 88 CA GLU A 7 -8.960 -12.769 -11.740 1.00 0.00 C ATOM 89 C GLU A 7 -7.829 -11.741 -11.675 1.00 0.00 C ATOM 90 O GLU A 7 -6.858 -11.916 -10.965 1.00 0.00 O ATOM 91 CB GLU A 7 -8.817 -13.648 -12.982 1.00 0.00 C ATOM 92 CG GLU A 7 -9.978 -14.643 -13.042 1.00 0.00 C ATOM 93 CD GLU A 7 -10.137 -15.322 -11.680 1.00 0.00 C ATOM 94 OE1 GLU A 7 -9.226 -16.030 -11.282 1.00 0.00 O ATOM 95 OE2 GLU A 7 -11.168 -15.124 -11.059 1.00 0.00 O ATOM 0 H GLU A 7 -10.685 -12.148 -12.834 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.913 -13.355 -10.822 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.808 -13.029 -13.879 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.867 -14.183 -12.954 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -10.899 -14.128 -13.313 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.792 -15.390 -13.813 1.00 0.00 H new ATOM 102 N GLN A 8 -7.949 -10.666 -12.407 1.00 0.00 N ATOM 103 CA GLN A 8 -6.881 -9.627 -12.380 1.00 0.00 C ATOM 104 C GLN A 8 -6.789 -9.012 -10.983 1.00 0.00 C ATOM 105 O GLN A 8 -5.753 -9.040 -10.348 1.00 0.00 O ATOM 106 CB GLN A 8 -7.322 -8.579 -13.402 1.00 0.00 C ATOM 107 CG GLN A 8 -6.127 -8.177 -14.268 1.00 0.00 C ATOM 108 CD GLN A 8 -6.112 -9.023 -15.542 1.00 0.00 C ATOM 109 OE1 GLN A 8 -5.957 -8.504 -16.630 1.00 0.00 O ATOM 110 NE2 GLN A 8 -6.269 -10.316 -15.453 1.00 0.00 N ATOM 0 H GLN A 8 -8.738 -10.463 -13.021 1.00 0.00 H new ATOM 0 HA GLN A 8 -5.898 -10.033 -12.616 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -8.120 -8.979 -14.028 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -7.725 -7.705 -12.891 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -6.188 -7.119 -14.522 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -5.199 -8.318 -13.714 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -6.399 -10.752 -14.540 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -6.262 -10.890 -16.296 1.00 0.00 H new ATOM 119 N ILE A 9 -7.867 -8.462 -10.494 1.00 0.00 N ATOM 120 CA ILE A 9 -7.840 -7.853 -9.135 1.00 0.00 C ATOM 121 C ILE A 9 -7.374 -8.891 -8.112 1.00 0.00 C ATOM 122 O ILE A 9 -6.666 -8.579 -7.174 1.00 0.00 O ATOM 123 CB ILE A 9 -9.285 -7.436 -8.857 1.00 0.00 C ATOM 124 CG1 ILE A 9 -9.725 -6.403 -9.898 1.00 0.00 C ATOM 125 CG2 ILE A 9 -9.380 -6.821 -7.460 1.00 0.00 C ATOM 126 CD1 ILE A 9 -11.188 -6.027 -9.658 1.00 0.00 C ATOM 0 H ILE A 9 -8.764 -8.408 -10.977 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.156 -7.007 -9.071 1.00 0.00 H new ATOM 0 HB ILE A 9 -9.933 -8.311 -8.913 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.095 -5.516 -9.834 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -9.603 -6.809 -10.902 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -10.410 -6.524 -7.262 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -9.065 -7.554 -6.717 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -8.733 -5.946 -7.403 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -11.501 -5.292 -10.399 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -11.811 -6.917 -9.744 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -11.296 -5.604 -8.659 1.00 0.00 H new ATOM 138 N ALA A 10 -7.761 -10.125 -8.290 1.00 0.00 N ATOM 139 CA ALA A 10 -7.336 -11.186 -7.332 1.00 0.00 C ATOM 140 C ALA A 10 -5.808 -11.232 -7.249 1.00 0.00 C ATOM 141 O ALA A 10 -5.232 -11.132 -6.182 1.00 0.00 O ATOM 142 CB ALA A 10 -7.882 -12.488 -7.918 1.00 0.00 C ATOM 0 H ALA A 10 -8.353 -10.444 -9.057 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.706 -11.009 -6.322 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.611 -13.321 -7.269 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.968 -12.426 -7.994 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.457 -12.647 -8.909 1.00 0.00 H new ATOM 148 N GLU A 11 -5.148 -11.378 -8.365 1.00 0.00 N ATOM 149 CA GLU A 11 -3.659 -11.425 -8.349 1.00 0.00 C ATOM 150 C GLU A 11 -3.104 -10.167 -7.676 1.00 0.00 C ATOM 151 O GLU A 11 -2.084 -10.203 -7.016 1.00 0.00 O ATOM 152 CB GLU A 11 -3.247 -11.472 -9.821 1.00 0.00 C ATOM 153 CG GLU A 11 -3.090 -12.929 -10.261 1.00 0.00 C ATOM 154 CD GLU A 11 -2.088 -13.634 -9.345 1.00 0.00 C ATOM 155 OE1 GLU A 11 -0.908 -13.600 -9.654 1.00 0.00 O ATOM 156 OE2 GLU A 11 -2.517 -14.195 -8.351 1.00 0.00 O ATOM 0 H GLU A 11 -5.575 -11.467 -9.287 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.276 -12.281 -7.793 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.997 -10.974 -10.436 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.310 -10.935 -9.965 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.054 -13.437 -10.223 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.747 -12.973 -11.295 1.00 0.00 H new ATOM 163 N PHE A 12 -3.770 -9.056 -7.836 1.00 0.00 N ATOM 164 CA PHE A 12 -3.283 -7.797 -7.203 1.00 0.00 C ATOM 165 C PHE A 12 -3.335 -7.928 -5.679 1.00 0.00 C ATOM 166 O PHE A 12 -2.420 -7.538 -4.980 1.00 0.00 O ATOM 167 CB PHE A 12 -4.247 -6.713 -7.682 1.00 0.00 C ATOM 168 CG PHE A 12 -3.853 -6.263 -9.068 1.00 0.00 C ATOM 169 CD1 PHE A 12 -3.697 -7.205 -10.093 1.00 0.00 C ATOM 170 CD2 PHE A 12 -3.645 -4.903 -9.330 1.00 0.00 C ATOM 171 CE1 PHE A 12 -3.332 -6.786 -11.378 1.00 0.00 C ATOM 172 CE2 PHE A 12 -3.280 -4.485 -10.616 1.00 0.00 C ATOM 173 CZ PHE A 12 -3.125 -5.427 -11.640 1.00 0.00 C ATOM 0 H PHE A 12 -4.630 -8.965 -8.377 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.252 -7.568 -7.471 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -5.267 -7.097 -7.689 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.229 -5.867 -6.995 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -3.858 -8.254 -9.892 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.766 -4.176 -8.540 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.210 -7.512 -12.168 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.118 -3.436 -10.818 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.846 -5.105 -12.632 1.00 0.00 H new ATOM 183 N LYS A 13 -4.398 -8.480 -5.158 1.00 0.00 N ATOM 184 CA LYS A 13 -4.505 -8.639 -3.680 1.00 0.00 C ATOM 185 C LYS A 13 -3.335 -9.477 -3.160 1.00 0.00 C ATOM 186 O LYS A 13 -2.640 -9.089 -2.242 1.00 0.00 O ATOM 187 CB LYS A 13 -5.830 -9.366 -3.454 1.00 0.00 C ATOM 188 CG LYS A 13 -5.912 -9.840 -2.001 1.00 0.00 C ATOM 189 CD LYS A 13 -6.027 -8.627 -1.075 1.00 0.00 C ATOM 190 CE LYS A 13 -7.503 -8.280 -0.868 1.00 0.00 C ATOM 191 NZ LYS A 13 -7.975 -9.220 0.187 1.00 0.00 N ATOM 0 H LYS A 13 -5.195 -8.827 -5.691 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.473 -7.684 -3.155 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.664 -8.701 -3.678 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.910 -10.217 -4.130 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.773 -10.495 -1.869 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.027 -10.423 -1.747 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.555 -8.842 -0.116 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -5.499 -7.776 -1.506 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.625 -7.243 -0.556 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.071 -8.404 -1.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -8.967 -9.475 0.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -7.389 -10.079 0.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.899 -8.763 1.118 1.00 0.00 H new ATOM 205 N GLU A 14 -3.109 -10.623 -3.744 1.00 0.00 N ATOM 206 CA GLU A 14 -1.980 -11.479 -3.285 1.00 0.00 C ATOM 207 C GLU A 14 -0.683 -10.668 -3.271 1.00 0.00 C ATOM 208 O GLU A 14 0.135 -10.798 -2.383 1.00 0.00 O ATOM 209 CB GLU A 14 -1.896 -12.609 -4.311 1.00 0.00 C ATOM 210 CG GLU A 14 -2.379 -13.915 -3.675 1.00 0.00 C ATOM 211 CD GLU A 14 -2.755 -14.910 -4.775 1.00 0.00 C ATOM 212 OE1 GLU A 14 -3.842 -14.786 -5.313 1.00 0.00 O ATOM 213 OE2 GLU A 14 -1.949 -15.781 -5.059 1.00 0.00 O ATOM 0 H GLU A 14 -3.656 -11.002 -4.517 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.131 -11.860 -2.275 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.506 -12.369 -5.182 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.870 -12.721 -4.661 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -1.597 -14.335 -3.042 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.239 -13.723 -3.034 1.00 0.00 H new ATOM 220 N ALA A 15 -0.492 -9.827 -4.251 1.00 0.00 N ATOM 221 CA ALA A 15 0.749 -9.001 -4.295 1.00 0.00 C ATOM 222 C ALA A 15 0.707 -7.935 -3.197 1.00 0.00 C ATOM 223 O ALA A 15 1.439 -7.998 -2.231 1.00 0.00 O ATOM 224 CB ALA A 15 0.739 -8.346 -5.677 1.00 0.00 C ATOM 0 H ALA A 15 -1.141 -9.676 -5.023 1.00 0.00 H new ATOM 0 HA ALA A 15 1.649 -9.594 -4.132 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.623 -7.719 -5.789 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.743 -9.119 -6.446 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.156 -7.733 -5.783 1.00 0.00 H new ATOM 230 N PHE A 16 -0.148 -6.959 -3.339 1.00 0.00 N ATOM 231 CA PHE A 16 -0.244 -5.890 -2.305 1.00 0.00 C ATOM 232 C PHE A 16 -0.167 -6.496 -0.901 1.00 0.00 C ATOM 233 O PHE A 16 0.595 -6.054 -0.064 1.00 0.00 O ATOM 234 CB PHE A 16 -1.610 -5.246 -2.538 1.00 0.00 C ATOM 235 CG PHE A 16 -1.797 -4.093 -1.581 1.00 0.00 C ATOM 236 CD1 PHE A 16 -1.321 -2.819 -1.915 1.00 0.00 C ATOM 237 CD2 PHE A 16 -2.451 -4.298 -0.360 1.00 0.00 C ATOM 238 CE1 PHE A 16 -1.498 -1.751 -1.028 1.00 0.00 C ATOM 239 CE2 PHE A 16 -2.629 -3.229 0.527 1.00 0.00 C ATOM 240 CZ PHE A 16 -2.152 -1.956 0.193 1.00 0.00 C ATOM 0 H PHE A 16 -0.786 -6.856 -4.128 1.00 0.00 H new ATOM 0 HA PHE A 16 0.569 -5.168 -2.379 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.686 -4.894 -3.567 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.400 -5.983 -2.394 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.817 -2.661 -2.857 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.818 -5.280 -0.102 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.130 -0.769 -1.285 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.134 -3.387 1.468 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.288 -1.132 0.877 1.00 0.00 H new ATOM 250 N ALA A 17 -0.950 -7.506 -0.638 1.00 0.00 N ATOM 251 CA ALA A 17 -0.923 -8.139 0.713 1.00 0.00 C ATOM 252 C ALA A 17 0.407 -8.864 0.938 1.00 0.00 C ATOM 253 O ALA A 17 0.870 -8.996 2.053 1.00 0.00 O ATOM 254 CB ALA A 17 -2.082 -9.137 0.704 1.00 0.00 C ATOM 0 H ALA A 17 -1.607 -7.921 -1.299 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.020 -7.405 1.513 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.131 -9.647 1.666 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.018 -8.607 0.527 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.925 -9.870 -0.087 1.00 0.00 H new ATOM 260 N LEU A 18 1.023 -9.338 -0.111 1.00 0.00 N ATOM 261 CA LEU A 18 2.322 -10.055 0.050 1.00 0.00 C ATOM 262 C LEU A 18 3.317 -9.184 0.823 1.00 0.00 C ATOM 263 O LEU A 18 4.272 -9.675 1.391 1.00 0.00 O ATOM 264 CB LEU A 18 2.818 -10.304 -1.374 1.00 0.00 C ATOM 265 CG LEU A 18 3.118 -11.792 -1.558 1.00 0.00 C ATOM 266 CD1 LEU A 18 3.182 -12.120 -3.050 1.00 0.00 C ATOM 267 CD2 LEU A 18 4.461 -12.124 -0.906 1.00 0.00 C ATOM 0 H LEU A 18 0.685 -9.261 -1.070 1.00 0.00 H new ATOM 0 HA LEU A 18 2.213 -10.983 0.611 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.065 -9.982 -2.094 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.715 -9.715 -1.566 1.00 0.00 H new ATOM 0 HG LEU A 18 2.330 -12.382 -1.091 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.396 -13.181 -3.180 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.226 -11.883 -3.516 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.970 -11.531 -3.519 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.676 -13.185 -1.036 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.249 -11.534 -1.374 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.417 -11.891 0.158 1.00 0.00 H new ATOM 279 N PHE A 19 3.102 -7.897 0.850 1.00 0.00 N ATOM 280 CA PHE A 19 4.040 -7.002 1.589 1.00 0.00 C ATOM 281 C PHE A 19 3.281 -6.211 2.658 1.00 0.00 C ATOM 282 O PHE A 19 3.775 -5.235 3.189 1.00 0.00 O ATOM 283 CB PHE A 19 4.612 -6.059 0.530 1.00 0.00 C ATOM 284 CG PHE A 19 5.007 -6.851 -0.694 1.00 0.00 C ATOM 285 CD1 PHE A 19 4.049 -7.154 -1.668 1.00 0.00 C ATOM 286 CD2 PHE A 19 6.330 -7.280 -0.855 1.00 0.00 C ATOM 287 CE1 PHE A 19 4.413 -7.887 -2.803 1.00 0.00 C ATOM 288 CE2 PHE A 19 6.694 -8.013 -1.990 1.00 0.00 C ATOM 289 CZ PHE A 19 5.735 -8.317 -2.965 1.00 0.00 C ATOM 0 H PHE A 19 2.320 -7.427 0.394 1.00 0.00 H new ATOM 0 HA PHE A 19 4.824 -7.560 2.101 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.873 -5.304 0.264 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.478 -5.531 0.929 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.029 -6.822 -1.544 1.00 0.00 H new ATOM 0 HD2 PHE A 19 7.069 -7.045 -0.103 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.673 -8.121 -3.554 1.00 0.00 H new ATOM 0 HE2 PHE A 19 7.714 -8.344 -2.114 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.016 -8.883 -3.841 1.00 0.00 H new ATOM 299 N ASP A 20 2.085 -6.624 2.978 1.00 0.00 N ATOM 300 CA ASP A 20 1.297 -5.895 4.012 1.00 0.00 C ATOM 301 C ASP A 20 1.710 -6.354 5.414 1.00 0.00 C ATOM 302 O ASP A 20 1.216 -7.338 5.925 1.00 0.00 O ATOM 303 CB ASP A 20 -0.160 -6.267 3.734 1.00 0.00 C ATOM 304 CG ASP A 20 -1.081 -5.400 4.594 1.00 0.00 C ATOM 305 OD1 ASP A 20 -0.606 -4.858 5.577 1.00 0.00 O ATOM 306 OD2 ASP A 20 -2.248 -5.292 4.252 1.00 0.00 O ATOM 0 H ASP A 20 1.620 -7.434 2.568 1.00 0.00 H new ATOM 0 HA ASP A 20 1.458 -4.818 3.971 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.388 -6.122 2.678 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.326 -7.322 3.954 1.00 0.00 H new ATOM 311 N LYS A 21 2.614 -5.648 6.036 1.00 0.00 N ATOM 312 CA LYS A 21 3.058 -6.045 7.404 1.00 0.00 C ATOM 313 C LYS A 21 1.844 -6.266 8.310 1.00 0.00 C ATOM 314 O LYS A 21 1.620 -7.351 8.810 1.00 0.00 O ATOM 315 CB LYS A 21 3.895 -4.868 7.906 1.00 0.00 C ATOM 316 CG LYS A 21 5.040 -5.391 8.776 1.00 0.00 C ATOM 317 CD LYS A 21 6.297 -4.558 8.522 1.00 0.00 C ATOM 318 CE LYS A 21 7.329 -5.406 7.774 1.00 0.00 C ATOM 319 NZ LYS A 21 7.824 -4.528 6.677 1.00 0.00 N ATOM 0 H LYS A 21 3.064 -4.815 5.658 1.00 0.00 H new ATOM 0 HA LYS A 21 3.625 -6.976 7.401 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.293 -4.305 7.062 1.00 0.00 H new ATOM 0 HB3 LYS A 21 3.271 -4.183 8.480 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.763 -5.339 9.829 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.234 -6.439 8.549 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.047 -3.672 7.939 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.713 -4.210 9.468 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.142 -5.711 8.433 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.880 -6.317 7.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.537 -5.039 6.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 7.029 -4.259 6.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.252 -3.672 7.084 1.00 0.00 H new ATOM 333 N ASP A 22 1.059 -5.246 8.526 1.00 0.00 N ATOM 334 CA ASP A 22 -0.138 -5.399 9.401 1.00 0.00 C ATOM 335 C ASP A 22 -1.031 -6.530 8.882 1.00 0.00 C ATOM 336 O ASP A 22 -1.874 -7.043 9.591 1.00 0.00 O ATOM 337 CB ASP A 22 -0.867 -4.058 9.313 1.00 0.00 C ATOM 338 CG ASP A 22 -0.393 -3.143 10.444 1.00 0.00 C ATOM 339 OD1 ASP A 22 -0.572 -3.514 11.593 1.00 0.00 O ATOM 340 OD2 ASP A 22 0.141 -2.089 10.143 1.00 0.00 O ATOM 0 H ASP A 22 1.195 -4.314 8.135 1.00 0.00 H new ATOM 0 HA ASP A 22 0.130 -5.651 10.427 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.674 -3.590 8.348 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.944 -4.212 9.383 1.00 0.00 H new ATOM 345 N ASN A 23 -0.851 -6.923 7.651 1.00 0.00 N ATOM 346 CA ASN A 23 -1.690 -8.020 7.088 1.00 0.00 C ATOM 347 C ASN A 23 -3.175 -7.663 7.203 1.00 0.00 C ATOM 348 O ASN A 23 -4.029 -8.526 7.250 1.00 0.00 O ATOM 349 CB ASN A 23 -1.365 -9.245 7.943 1.00 0.00 C ATOM 350 CG ASN A 23 -0.119 -9.938 7.389 1.00 0.00 C ATOM 351 OD1 ASN A 23 0.882 -10.050 8.070 1.00 0.00 O ATOM 352 ND2 ASN A 23 -0.136 -10.412 6.174 1.00 0.00 N ATOM 0 H ASN A 23 -0.160 -6.533 7.010 1.00 0.00 H new ATOM 0 HA ASN A 23 -1.487 -8.195 6.031 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -1.198 -8.946 8.978 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -2.208 -9.936 7.943 1.00 0.00 H new ATOM 0 HD21 ASN A 23 0.690 -10.876 5.796 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -0.975 -10.319 5.602 1.00 0.00 H new ATOM 359 N ASN A 24 -3.488 -6.398 7.249 1.00 0.00 N ATOM 360 CA ASN A 24 -4.917 -5.986 7.361 1.00 0.00 C ATOM 361 C ASN A 24 -5.421 -5.454 6.017 1.00 0.00 C ATOM 362 O ASN A 24 -6.604 -5.258 5.820 1.00 0.00 O ATOM 363 CB ASN A 24 -4.930 -4.879 8.416 1.00 0.00 C ATOM 364 CG ASN A 24 -3.870 -3.831 8.072 1.00 0.00 C ATOM 365 OD1 ASN A 24 -3.170 -3.959 7.087 1.00 0.00 O ATOM 366 ND2 ASN A 24 -3.720 -2.792 8.848 1.00 0.00 N ATOM 0 H ASN A 24 -2.817 -5.631 7.214 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.566 -6.818 7.636 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -5.915 -4.414 8.458 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -4.733 -5.300 9.402 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -3.016 -2.088 8.627 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -4.307 -2.684 9.675 1.00 0.00 H new ATOM 373 N GLY A 25 -4.533 -5.219 5.090 1.00 0.00 N ATOM 374 CA GLY A 25 -4.961 -4.701 3.761 1.00 0.00 C ATOM 375 C GLY A 25 -4.297 -3.349 3.500 1.00 0.00 C ATOM 376 O GLY A 25 -4.751 -2.570 2.686 1.00 0.00 O ATOM 0 H GLY A 25 -3.529 -5.364 5.196 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.688 -5.409 2.978 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.046 -4.597 3.732 1.00 0.00 H new ATOM 380 N SER A 26 -3.222 -3.063 4.183 1.00 0.00 N ATOM 381 CA SER A 26 -2.529 -1.759 3.971 1.00 0.00 C ATOM 382 C SER A 26 -1.012 -1.966 3.938 1.00 0.00 C ATOM 383 O SER A 26 -0.454 -2.678 4.749 1.00 0.00 O ATOM 384 CB SER A 26 -2.927 -0.900 5.170 1.00 0.00 C ATOM 385 OG SER A 26 -2.865 -1.686 6.353 1.00 0.00 O ATOM 0 H SER A 26 -2.794 -3.675 4.878 1.00 0.00 H new ATOM 0 HA SER A 26 -2.806 -1.292 3.026 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.260 -0.042 5.254 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.935 -0.508 5.033 1.00 0.00 H new ATOM 0 HG SER A 26 -3.114 -2.611 6.145 1.00 0.00 H new ATOM 391 N ILE A 27 -0.341 -1.349 3.005 1.00 0.00 N ATOM 392 CA ILE A 27 1.139 -1.510 2.919 1.00 0.00 C ATOM 393 C ILE A 27 1.820 -0.140 2.870 1.00 0.00 C ATOM 394 O ILE A 27 1.192 0.867 2.607 1.00 0.00 O ATOM 395 CB ILE A 27 1.379 -2.274 1.615 1.00 0.00 C ATOM 396 CG1 ILE A 27 1.147 -1.337 0.426 1.00 0.00 C ATOM 397 CG2 ILE A 27 0.411 -3.455 1.528 1.00 0.00 C ATOM 398 CD1 ILE A 27 1.380 -2.100 -0.880 1.00 0.00 C ATOM 0 H ILE A 27 -0.753 -0.740 2.298 1.00 0.00 H new ATOM 0 HA ILE A 27 1.547 -2.036 3.782 1.00 0.00 H new ATOM 0 HB ILE A 27 2.404 -2.643 1.594 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.131 -0.943 0.453 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.822 -0.483 0.486 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.583 -3.998 0.599 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.574 -4.122 2.374 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.615 -3.087 1.549 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.215 -1.433 -1.726 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.404 -2.472 -0.906 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.687 -2.939 -0.940 1.00 0.00 H new ATOM 410 N SER A 28 3.099 -0.095 3.117 1.00 0.00 N ATOM 411 CA SER A 28 3.819 1.210 3.078 1.00 0.00 C ATOM 412 C SER A 28 4.222 1.541 1.639 1.00 0.00 C ATOM 413 O SER A 28 4.432 0.663 0.827 1.00 0.00 O ATOM 414 CB SER A 28 5.058 1.007 3.950 1.00 0.00 C ATOM 415 OG SER A 28 5.254 2.158 4.761 1.00 0.00 O ATOM 0 H SER A 28 3.677 -0.904 3.344 1.00 0.00 H new ATOM 0 HA SER A 28 3.203 2.035 3.436 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.936 0.123 4.576 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.934 0.835 3.324 1.00 0.00 H new ATOM 0 HG SER A 28 6.047 2.031 5.323 1.00 0.00 H new ATOM 421 N SER A 29 4.331 2.801 1.316 1.00 0.00 N ATOM 422 CA SER A 29 4.720 3.181 -0.073 1.00 0.00 C ATOM 423 C SER A 29 5.875 2.302 -0.558 1.00 0.00 C ATOM 424 O SER A 29 5.827 1.736 -1.633 1.00 0.00 O ATOM 425 CB SER A 29 5.160 4.641 0.025 1.00 0.00 C ATOM 426 OG SER A 29 6.579 4.699 0.104 1.00 0.00 O ATOM 0 H SER A 29 4.168 3.582 1.951 1.00 0.00 H new ATOM 0 HA SER A 29 3.903 3.049 -0.782 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.809 5.198 -0.844 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.716 5.109 0.904 1.00 0.00 H new ATOM 0 HG SER A 29 6.865 5.634 0.165 1.00 0.00 H new ATOM 432 N SER A 30 6.912 2.182 0.224 1.00 0.00 N ATOM 433 CA SER A 30 8.068 1.338 -0.196 1.00 0.00 C ATOM 434 C SER A 30 7.580 -0.043 -0.640 1.00 0.00 C ATOM 435 O SER A 30 8.149 -0.661 -1.518 1.00 0.00 O ATOM 436 CB SER A 30 8.947 1.222 1.049 1.00 0.00 C ATOM 437 OG SER A 30 10.312 1.193 0.657 1.00 0.00 O ATOM 0 H SER A 30 7.010 2.631 1.135 1.00 0.00 H new ATOM 0 HA SER A 30 8.610 1.769 -1.038 1.00 0.00 H new ATOM 0 HB2 SER A 30 8.766 2.065 1.716 1.00 0.00 H new ATOM 0 HB3 SER A 30 8.696 0.317 1.603 1.00 0.00 H new ATOM 0 HG SER A 30 10.879 1.120 1.453 1.00 0.00 H new ATOM 443 N GLU A 31 6.530 -0.532 -0.039 1.00 0.00 N ATOM 444 CA GLU A 31 6.005 -1.874 -0.427 1.00 0.00 C ATOM 445 C GLU A 31 5.153 -1.763 -1.694 1.00 0.00 C ATOM 446 O GLU A 31 5.129 -2.657 -2.517 1.00 0.00 O ATOM 447 CB GLU A 31 5.148 -2.321 0.759 1.00 0.00 C ATOM 448 CG GLU A 31 5.902 -2.055 2.063 1.00 0.00 C ATOM 449 CD GLU A 31 5.776 -3.272 2.982 1.00 0.00 C ATOM 450 OE1 GLU A 31 6.483 -4.239 2.752 1.00 0.00 O ATOM 451 OE2 GLU A 31 4.975 -3.214 3.901 1.00 0.00 O ATOM 0 H GLU A 31 6.013 -0.062 0.703 1.00 0.00 H new ATOM 0 HA GLU A 31 6.804 -2.584 -0.644 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.200 -1.784 0.759 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.913 -3.382 0.672 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.952 -1.851 1.853 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.498 -1.171 2.555 1.00 0.00 H new ATOM 458 N LEU A 32 4.453 -0.673 -1.859 1.00 0.00 N ATOM 459 CA LEU A 32 3.605 -0.509 -3.074 1.00 0.00 C ATOM 460 C LEU A 32 4.467 -0.600 -4.335 1.00 0.00 C ATOM 461 O LEU A 32 4.014 -1.030 -5.378 1.00 0.00 O ATOM 462 CB LEU A 32 2.986 0.882 -2.943 1.00 0.00 C ATOM 463 CG LEU A 32 2.321 1.270 -4.264 1.00 0.00 C ATOM 464 CD1 LEU A 32 1.388 0.145 -4.717 1.00 0.00 C ATOM 465 CD2 LEU A 32 1.512 2.554 -4.069 1.00 0.00 C ATOM 0 H LEU A 32 4.432 0.110 -1.206 1.00 0.00 H new ATOM 0 HA LEU A 32 2.844 -1.285 -3.154 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.252 0.891 -2.138 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.754 1.610 -2.682 1.00 0.00 H new ATOM 0 HG LEU A 32 3.088 1.433 -5.022 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.914 0.422 -5.659 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.963 -0.771 -4.856 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.621 -0.019 -3.960 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.037 2.832 -5.010 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.746 2.390 -3.311 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.175 3.357 -3.747 1.00 0.00 H new ATOM 477 N ALA A 33 5.706 -0.201 -4.250 1.00 0.00 N ATOM 478 CA ALA A 33 6.593 -0.270 -5.446 1.00 0.00 C ATOM 479 C ALA A 33 6.825 -1.731 -5.839 1.00 0.00 C ATOM 480 O ALA A 33 6.694 -2.105 -6.988 1.00 0.00 O ATOM 481 CB ALA A 33 7.904 0.383 -5.008 1.00 0.00 C ATOM 0 H ALA A 33 6.142 0.169 -3.406 1.00 0.00 H new ATOM 0 HA ALA A 33 6.162 0.231 -6.313 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.611 0.371 -5.837 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.715 1.414 -4.708 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.322 -0.169 -4.166 1.00 0.00 H new ATOM 487 N THR A 34 7.162 -2.562 -4.891 1.00 0.00 N ATOM 488 CA THR A 34 7.394 -3.998 -5.211 1.00 0.00 C ATOM 489 C THR A 34 6.132 -4.604 -5.830 1.00 0.00 C ATOM 490 O THR A 34 6.137 -5.058 -6.957 1.00 0.00 O ATOM 491 CB THR A 34 7.707 -4.663 -3.870 1.00 0.00 C ATOM 492 OG1 THR A 34 8.980 -4.229 -3.414 1.00 0.00 O ATOM 493 CG2 THR A 34 7.712 -6.181 -4.044 1.00 0.00 C ATOM 0 H THR A 34 7.286 -2.309 -3.911 1.00 0.00 H new ATOM 0 HA THR A 34 8.203 -4.137 -5.928 1.00 0.00 H new ATOM 0 HB THR A 34 6.948 -4.387 -3.138 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.181 -4.653 -2.554 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.935 -6.656 -3.089 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.733 -6.510 -4.393 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.471 -6.461 -4.774 1.00 0.00 H new ATOM 501 N VAL A 35 5.047 -4.608 -5.102 1.00 0.00 N ATOM 502 CA VAL A 35 3.784 -5.178 -5.653 1.00 0.00 C ATOM 503 C VAL A 35 3.565 -4.665 -7.079 1.00 0.00 C ATOM 504 O VAL A 35 3.067 -5.368 -7.937 1.00 0.00 O ATOM 505 CB VAL A 35 2.680 -4.666 -4.728 1.00 0.00 C ATOM 506 CG1 VAL A 35 2.918 -5.185 -3.310 1.00 0.00 C ATOM 507 CG2 VAL A 35 2.692 -3.137 -4.716 1.00 0.00 C ATOM 0 H VAL A 35 4.981 -4.242 -4.152 1.00 0.00 H new ATOM 0 HA VAL A 35 3.803 -6.267 -5.698 1.00 0.00 H new ATOM 0 HB VAL A 35 1.714 -5.021 -5.088 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.130 -4.819 -2.652 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.909 -6.275 -3.315 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.884 -4.831 -2.951 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.905 -2.772 -4.056 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.659 -2.784 -4.357 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.521 -2.764 -5.726 1.00 0.00 H new ATOM 517 N MET A 36 3.935 -3.439 -7.333 1.00 0.00 N ATOM 518 CA MET A 36 3.753 -2.864 -8.696 1.00 0.00 C ATOM 519 C MET A 36 4.498 -3.704 -9.738 1.00 0.00 C ATOM 520 O MET A 36 3.905 -4.245 -10.651 1.00 0.00 O ATOM 521 CB MET A 36 4.352 -1.459 -8.610 1.00 0.00 C ATOM 522 CG MET A 36 3.941 -0.649 -9.840 1.00 0.00 C ATOM 523 SD MET A 36 2.136 -0.543 -9.916 1.00 0.00 S ATOM 524 CE MET A 36 1.943 0.878 -8.813 1.00 0.00 C ATOM 0 H MET A 36 4.357 -2.808 -6.652 1.00 0.00 H new ATOM 0 HA MET A 36 2.706 -2.848 -9.000 1.00 0.00 H new ATOM 0 HB2 MET A 36 4.008 -0.961 -7.703 1.00 0.00 H new ATOM 0 HB3 MET A 36 5.439 -1.519 -8.548 1.00 0.00 H new ATOM 0 HG2 MET A 36 4.373 0.351 -9.792 1.00 0.00 H new ATOM 0 HG3 MET A 36 4.327 -1.120 -10.744 1.00 0.00 H new ATOM 0 HE1 MET A 36 1.207 1.565 -9.231 1.00 0.00 H new ATOM 0 HE2 MET A 36 1.606 0.536 -7.835 1.00 0.00 H new ATOM 0 HE3 MET A 36 2.900 1.390 -8.708 1.00 0.00 H new ATOM 534 N ARG A 37 5.792 -3.818 -9.611 1.00 0.00 N ATOM 535 CA ARG A 37 6.570 -4.622 -10.600 1.00 0.00 C ATOM 536 C ARG A 37 6.278 -6.116 -10.424 1.00 0.00 C ATOM 537 O ARG A 37 6.528 -6.915 -11.305 1.00 0.00 O ATOM 538 CB ARG A 37 8.036 -4.323 -10.285 1.00 0.00 C ATOM 539 CG ARG A 37 8.721 -3.752 -11.528 1.00 0.00 C ATOM 540 CD ARG A 37 9.719 -4.774 -12.076 1.00 0.00 C ATOM 541 NE ARG A 37 8.878 -5.867 -12.638 1.00 0.00 N ATOM 542 CZ ARG A 37 9.383 -6.695 -13.512 1.00 0.00 C ATOM 543 NH1 ARG A 37 10.075 -6.237 -14.520 1.00 0.00 N ATOM 544 NH2 ARG A 37 9.196 -7.980 -13.380 1.00 0.00 N ATOM 0 H ARG A 37 6.344 -3.391 -8.867 1.00 0.00 H new ATOM 0 HA ARG A 37 6.311 -4.370 -11.628 1.00 0.00 H new ATOM 0 HB2 ARG A 37 8.104 -3.613 -9.461 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.543 -5.233 -9.964 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.977 -3.511 -12.288 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.235 -2.824 -11.279 1.00 0.00 H new ATOM 0 HD2 ARG A 37 10.356 -4.332 -12.842 1.00 0.00 H new ATOM 0 HD3 ARG A 37 10.376 -5.146 -11.290 1.00 0.00 H new ATOM 0 HE ARG A 37 7.908 -5.969 -12.340 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.221 -5.233 -14.624 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.470 -6.883 -15.203 1.00 0.00 H new ATOM 0 HH21 ARG A 37 8.655 -8.338 -12.593 1.00 0.00 H new ATOM 0 HH22 ARG A 37 9.591 -8.626 -14.064 1.00 0.00 H new ATOM 558 N SER A 38 5.756 -6.501 -9.291 1.00 0.00 N ATOM 559 CA SER A 38 5.456 -7.942 -9.057 1.00 0.00 C ATOM 560 C SER A 38 4.278 -8.397 -9.924 1.00 0.00 C ATOM 561 O SER A 38 4.203 -9.538 -10.333 1.00 0.00 O ATOM 562 CB SER A 38 5.097 -8.036 -7.576 1.00 0.00 C ATOM 563 OG SER A 38 6.242 -8.446 -6.840 1.00 0.00 O ATOM 0 H SER A 38 5.524 -5.879 -8.517 1.00 0.00 H new ATOM 0 HA SER A 38 6.300 -8.581 -9.317 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.744 -7.070 -7.214 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.284 -8.747 -7.432 1.00 0.00 H new ATOM 0 HG SER A 38 6.015 -8.506 -5.888 1.00 0.00 H new ATOM 569 N LEU A 39 3.357 -7.517 -10.207 1.00 0.00 N ATOM 570 CA LEU A 39 2.188 -7.913 -11.046 1.00 0.00 C ATOM 571 C LEU A 39 2.644 -8.238 -12.470 1.00 0.00 C ATOM 572 O LEU A 39 2.076 -9.081 -13.136 1.00 0.00 O ATOM 573 CB LEU A 39 1.257 -6.698 -11.043 1.00 0.00 C ATOM 574 CG LEU A 39 0.414 -6.693 -9.766 1.00 0.00 C ATOM 575 CD1 LEU A 39 -0.639 -5.587 -9.854 1.00 0.00 C ATOM 576 CD2 LEU A 39 -0.285 -8.045 -9.607 1.00 0.00 C ATOM 0 H LEU A 39 3.362 -6.546 -9.896 1.00 0.00 H new ATOM 0 HA LEU A 39 1.691 -8.803 -10.661 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.842 -5.780 -11.107 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.608 -6.724 -11.918 1.00 0.00 H new ATOM 0 HG LEU A 39 1.061 -6.515 -8.907 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.240 -5.583 -8.944 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.145 -4.622 -9.966 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.284 -5.766 -10.714 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.885 -8.040 -8.697 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.931 -8.224 -10.466 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.462 -8.836 -9.544 1.00 0.00 H new ATOM 588 N GLY A 40 3.667 -7.580 -12.945 1.00 0.00 N ATOM 589 CA GLY A 40 4.155 -7.859 -14.325 1.00 0.00 C ATOM 590 C GLY A 40 4.348 -6.543 -15.081 1.00 0.00 C ATOM 591 O GLY A 40 4.121 -6.463 -16.272 1.00 0.00 O ATOM 0 H GLY A 40 4.185 -6.863 -12.438 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.096 -8.407 -14.284 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.441 -8.491 -14.853 1.00 0.00 H new ATOM 595 N LEU A 41 4.766 -5.511 -14.402 1.00 0.00 N ATOM 596 CA LEU A 41 4.973 -4.202 -15.086 1.00 0.00 C ATOM 597 C LEU A 41 6.309 -3.589 -14.660 1.00 0.00 C ATOM 598 O LEU A 41 7.148 -4.248 -14.077 1.00 0.00 O ATOM 599 CB LEU A 41 3.808 -3.317 -14.635 1.00 0.00 C ATOM 600 CG LEU A 41 3.549 -3.524 -13.142 1.00 0.00 C ATOM 601 CD1 LEU A 41 3.192 -2.184 -12.495 1.00 0.00 C ATOM 602 CD2 LEU A 41 2.386 -4.501 -12.960 1.00 0.00 C ATOM 0 H LEU A 41 4.973 -5.517 -13.403 1.00 0.00 H new ATOM 0 HA LEU A 41 5.001 -4.308 -16.170 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.037 -2.270 -14.832 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.912 -3.560 -15.206 1.00 0.00 H new ATOM 0 HG LEU A 41 4.444 -3.929 -12.670 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.007 -2.331 -11.431 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.018 -1.485 -12.627 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.296 -1.780 -12.966 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.199 -4.650 -11.897 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.492 -4.094 -13.432 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.637 -5.456 -13.422 1.00 0.00 H new ATOM 614 N SER A 42 6.515 -2.333 -14.947 1.00 0.00 N ATOM 615 CA SER A 42 7.798 -1.680 -14.557 1.00 0.00 C ATOM 616 C SER A 42 7.777 -0.198 -14.944 1.00 0.00 C ATOM 617 O SER A 42 8.244 0.174 -16.002 1.00 0.00 O ATOM 618 CB SER A 42 8.875 -2.424 -15.344 1.00 0.00 C ATOM 619 OG SER A 42 9.758 -3.069 -14.437 1.00 0.00 O ATOM 0 H SER A 42 5.852 -1.731 -15.434 1.00 0.00 H new ATOM 0 HA SER A 42 7.974 -1.724 -13.482 1.00 0.00 H new ATOM 0 HB2 SER A 42 8.416 -3.158 -16.006 1.00 0.00 H new ATOM 0 HB3 SER A 42 9.428 -1.727 -15.974 1.00 0.00 H new ATOM 0 HG SER A 42 10.603 -3.271 -14.891 1.00 0.00 H new ATOM 625 N PRO A 43 7.233 0.598 -14.066 1.00 0.00 N ATOM 626 CA PRO A 43 7.147 2.059 -14.310 1.00 0.00 C ATOM 627 C PRO A 43 8.531 2.701 -14.190 1.00 0.00 C ATOM 628 O PRO A 43 9.544 2.040 -14.298 1.00 0.00 O ATOM 629 CB PRO A 43 6.216 2.552 -13.204 1.00 0.00 C ATOM 630 CG PRO A 43 6.341 1.537 -12.114 1.00 0.00 C ATOM 631 CD PRO A 43 6.652 0.217 -12.774 1.00 0.00 C ATOM 0 HA PRO A 43 6.783 2.309 -15.307 1.00 0.00 H new ATOM 0 HB2 PRO A 43 6.507 3.543 -12.856 1.00 0.00 H new ATOM 0 HB3 PRO A 43 5.188 2.627 -13.558 1.00 0.00 H new ATOM 0 HG2 PRO A 43 7.131 1.815 -11.417 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.417 1.473 -11.539 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.350 -0.372 -12.180 1.00 0.00 H new ATOM 0 HD3 PRO A 43 5.754 -0.387 -12.902 1.00 0.00 H new ATOM 639 N SER A 44 8.583 3.987 -13.967 1.00 0.00 N ATOM 640 CA SER A 44 9.905 4.667 -13.843 1.00 0.00 C ATOM 641 C SER A 44 9.821 5.806 -12.824 1.00 0.00 C ATOM 642 O SER A 44 8.810 6.003 -12.181 1.00 0.00 O ATOM 643 CB SER A 44 10.201 5.216 -15.237 1.00 0.00 C ATOM 644 OG SER A 44 11.208 6.215 -15.143 1.00 0.00 O ATOM 0 H SER A 44 7.770 4.595 -13.866 1.00 0.00 H new ATOM 0 HA SER A 44 10.686 3.990 -13.498 1.00 0.00 H new ATOM 0 HB2 SER A 44 10.530 4.412 -15.895 1.00 0.00 H new ATOM 0 HB3 SER A 44 9.296 5.636 -15.675 1.00 0.00 H new ATOM 0 HG SER A 44 11.402 6.569 -16.036 1.00 0.00 H new ATOM 650 N GLU A 45 10.877 6.558 -12.672 1.00 0.00 N ATOM 651 CA GLU A 45 10.858 7.684 -11.696 1.00 0.00 C ATOM 652 C GLU A 45 9.653 8.590 -11.961 1.00 0.00 C ATOM 653 O GLU A 45 8.825 8.806 -11.099 1.00 0.00 O ATOM 654 CB GLU A 45 12.163 8.442 -11.938 1.00 0.00 C ATOM 655 CG GLU A 45 12.363 9.482 -10.835 1.00 0.00 C ATOM 656 CD GLU A 45 13.558 10.372 -11.181 1.00 0.00 C ATOM 657 OE1 GLU A 45 14.346 9.971 -12.022 1.00 0.00 O ATOM 658 OE2 GLU A 45 13.666 11.438 -10.600 1.00 0.00 O ATOM 0 H GLU A 45 11.753 6.441 -13.182 1.00 0.00 H new ATOM 0 HA GLU A 45 10.775 7.337 -10.666 1.00 0.00 H new ATOM 0 HB2 GLU A 45 13.002 7.747 -11.953 1.00 0.00 H new ATOM 0 HB3 GLU A 45 12.137 8.930 -12.912 1.00 0.00 H new ATOM 0 HG2 GLU A 45 11.464 10.089 -10.726 1.00 0.00 H new ATOM 0 HG3 GLU A 45 12.531 8.986 -9.879 1.00 0.00 H new ATOM 665 N ALA A 46 9.547 9.121 -13.148 1.00 0.00 N ATOM 666 CA ALA A 46 8.394 10.011 -13.466 1.00 0.00 C ATOM 667 C ALA A 46 7.095 9.393 -12.943 1.00 0.00 C ATOM 668 O ALA A 46 6.294 10.050 -12.309 1.00 0.00 O ATOM 669 CB ALA A 46 8.371 10.101 -14.992 1.00 0.00 C ATOM 0 H ALA A 46 10.208 8.977 -13.911 1.00 0.00 H new ATOM 0 HA ALA A 46 8.488 10.994 -13.004 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.547 10.741 -15.306 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.312 10.521 -15.346 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.237 9.105 -15.413 1.00 0.00 H new ATOM 675 N GLU A 47 6.883 8.132 -13.202 1.00 0.00 N ATOM 676 CA GLU A 47 5.637 7.471 -12.717 1.00 0.00 C ATOM 677 C GLU A 47 5.591 7.496 -11.187 1.00 0.00 C ATOM 678 O GLU A 47 4.538 7.595 -10.589 1.00 0.00 O ATOM 679 CB GLU A 47 5.727 6.032 -13.229 1.00 0.00 C ATOM 680 CG GLU A 47 4.320 5.445 -13.351 1.00 0.00 C ATOM 681 CD GLU A 47 3.855 4.940 -11.984 1.00 0.00 C ATOM 682 OE1 GLU A 47 4.681 4.871 -11.088 1.00 0.00 O ATOM 683 OE2 GLU A 47 2.682 4.632 -11.855 1.00 0.00 O ATOM 0 H GLU A 47 7.517 7.531 -13.728 1.00 0.00 H new ATOM 0 HA GLU A 47 4.736 7.972 -13.071 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.227 6.010 -14.197 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.326 5.429 -12.547 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.630 6.202 -13.724 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.317 4.628 -14.072 1.00 0.00 H new ATOM 690 N VAL A 48 6.727 7.407 -10.550 1.00 0.00 N ATOM 691 CA VAL A 48 6.750 7.427 -9.060 1.00 0.00 C ATOM 692 C VAL A 48 6.483 8.845 -8.547 1.00 0.00 C ATOM 693 O VAL A 48 5.729 9.048 -7.617 1.00 0.00 O ATOM 694 CB VAL A 48 8.161 6.977 -8.677 1.00 0.00 C ATOM 695 CG1 VAL A 48 8.192 6.596 -7.196 1.00 0.00 C ATOM 696 CG2 VAL A 48 8.557 5.764 -9.522 1.00 0.00 C ATOM 0 H VAL A 48 7.640 7.321 -10.997 1.00 0.00 H new ATOM 0 HA VAL A 48 5.985 6.782 -8.627 1.00 0.00 H new ATOM 0 HB VAL A 48 8.862 7.792 -8.858 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.198 6.275 -6.924 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.910 7.459 -6.592 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.490 5.782 -7.015 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.562 5.443 -9.249 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.855 4.950 -9.342 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.536 6.034 -10.578 1.00 0.00 H new ATOM 706 N ASN A 49 7.095 9.828 -9.151 1.00 0.00 N ATOM 707 CA ASN A 49 6.877 11.232 -8.699 1.00 0.00 C ATOM 708 C ASN A 49 5.380 11.553 -8.676 1.00 0.00 C ATOM 709 O ASN A 49 4.871 12.117 -7.728 1.00 0.00 O ATOM 710 CB ASN A 49 7.595 12.096 -9.736 1.00 0.00 C ATOM 711 CG ASN A 49 8.143 13.355 -9.061 1.00 0.00 C ATOM 712 OD1 ASN A 49 9.325 13.626 -9.123 1.00 0.00 O ATOM 713 ND2 ASN A 49 7.326 14.141 -8.413 1.00 0.00 N ATOM 0 H ASN A 49 7.736 9.719 -9.937 1.00 0.00 H new ATOM 0 HA ASN A 49 7.254 11.406 -7.691 1.00 0.00 H new ATOM 0 HB2 ASN A 49 8.408 11.533 -10.194 1.00 0.00 H new ATOM 0 HB3 ASN A 49 6.907 12.370 -10.536 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.681 14.983 -7.959 1.00 0.00 H new ATOM 0 HD22 ASN A 49 6.333 13.913 -8.361 1.00 0.00 H new ATOM 720 N ASP A 50 4.672 11.197 -9.713 1.00 0.00 N ATOM 721 CA ASP A 50 3.208 11.482 -9.747 1.00 0.00 C ATOM 722 C ASP A 50 2.466 10.556 -8.780 1.00 0.00 C ATOM 723 O ASP A 50 1.581 10.975 -8.060 1.00 0.00 O ATOM 724 CB ASP A 50 2.784 11.202 -11.189 1.00 0.00 C ATOM 725 CG ASP A 50 1.755 12.245 -11.631 1.00 0.00 C ATOM 726 OD1 ASP A 50 1.232 12.934 -10.771 1.00 0.00 O ATOM 727 OD2 ASP A 50 1.508 12.336 -12.823 1.00 0.00 O ATOM 0 H ASP A 50 5.042 10.722 -10.536 1.00 0.00 H new ATOM 0 HA ASP A 50 2.979 12.504 -9.446 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.653 11.231 -11.847 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.359 10.201 -11.266 1.00 0.00 H new ATOM 732 N LEU A 51 2.822 9.301 -8.756 1.00 0.00 N ATOM 733 CA LEU A 51 2.137 8.349 -7.835 1.00 0.00 C ATOM 734 C LEU A 51 2.234 8.849 -6.392 1.00 0.00 C ATOM 735 O LEU A 51 1.241 8.988 -5.704 1.00 0.00 O ATOM 736 CB LEU A 51 2.892 7.029 -7.997 1.00 0.00 C ATOM 737 CG LEU A 51 2.446 6.048 -6.912 1.00 0.00 C ATOM 738 CD1 LEU A 51 1.043 5.531 -7.236 1.00 0.00 C ATOM 739 CD2 LEU A 51 3.422 4.871 -6.857 1.00 0.00 C ATOM 0 H LEU A 51 3.557 8.893 -9.334 1.00 0.00 H new ATOM 0 HA LEU A 51 1.077 8.243 -8.064 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.701 6.607 -8.984 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.966 7.201 -7.927 1.00 0.00 H new ATOM 0 HG LEU A 51 2.432 6.555 -5.947 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.725 4.832 -6.463 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.347 6.369 -7.276 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.056 5.024 -8.201 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.105 4.171 -6.084 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.435 4.364 -7.822 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.422 5.238 -6.626 1.00 0.00 H new ATOM 751 N MET A 52 3.422 9.122 -5.926 1.00 0.00 N ATOM 752 CA MET A 52 3.581 9.613 -4.527 1.00 0.00 C ATOM 753 C MET A 52 2.842 10.942 -4.346 1.00 0.00 C ATOM 754 O MET A 52 2.069 11.112 -3.425 1.00 0.00 O ATOM 755 CB MET A 52 5.086 9.808 -4.345 1.00 0.00 C ATOM 756 CG MET A 52 5.683 8.572 -3.668 1.00 0.00 C ATOM 757 SD MET A 52 5.225 7.092 -4.603 1.00 0.00 S ATOM 758 CE MET A 52 5.233 5.934 -3.214 1.00 0.00 C ATOM 0 H MET A 52 4.290 9.026 -6.453 1.00 0.00 H new ATOM 0 HA MET A 52 3.168 8.918 -3.796 1.00 0.00 H new ATOM 0 HB2 MET A 52 5.562 9.972 -5.312 1.00 0.00 H new ATOM 0 HB3 MET A 52 5.278 10.695 -3.741 1.00 0.00 H new ATOM 0 HG2 MET A 52 6.768 8.661 -3.616 1.00 0.00 H new ATOM 0 HG3 MET A 52 5.320 8.495 -2.643 1.00 0.00 H new ATOM 0 HE1 MET A 52 5.538 4.948 -3.564 1.00 0.00 H new ATOM 0 HE2 MET A 52 5.933 6.282 -2.454 1.00 0.00 H new ATOM 0 HE3 MET A 52 4.233 5.873 -2.785 1.00 0.00 H new ATOM 768 N ASN A 53 3.073 11.883 -5.220 1.00 0.00 N ATOM 769 CA ASN A 53 2.383 13.200 -5.097 1.00 0.00 C ATOM 770 C ASN A 53 0.865 13.006 -5.117 1.00 0.00 C ATOM 771 O ASN A 53 0.111 13.886 -4.752 1.00 0.00 O ATOM 772 CB ASN A 53 2.838 14.001 -6.318 1.00 0.00 C ATOM 773 CG ASN A 53 4.001 14.914 -5.924 1.00 0.00 C ATOM 774 OD1 ASN A 53 5.059 14.444 -5.554 1.00 0.00 O ATOM 775 ND2 ASN A 53 3.850 16.208 -5.991 1.00 0.00 N ATOM 0 H ASN A 53 3.709 11.798 -6.013 1.00 0.00 H new ATOM 0 HA ASN A 53 2.625 13.708 -4.163 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.146 13.325 -7.116 1.00 0.00 H new ATOM 0 HB3 ASN A 53 2.010 14.595 -6.706 1.00 0.00 H new ATOM 0 HD21 ASN A 53 4.620 16.825 -5.733 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.962 16.602 -6.302 1.00 0.00 H new ATOM 782 N GLU A 54 0.409 11.858 -5.542 1.00 0.00 N ATOM 783 CA GLU A 54 -1.060 11.609 -5.586 1.00 0.00 C ATOM 784 C GLU A 54 -1.470 10.664 -4.453 1.00 0.00 C ATOM 785 O GLU A 54 -2.582 10.176 -4.411 1.00 0.00 O ATOM 786 CB GLU A 54 -1.311 10.957 -6.945 1.00 0.00 C ATOM 787 CG GLU A 54 -2.618 11.489 -7.534 1.00 0.00 C ATOM 788 CD GLU A 54 -2.758 11.016 -8.982 1.00 0.00 C ATOM 789 OE1 GLU A 54 -2.649 9.822 -9.207 1.00 0.00 O ATOM 790 OE2 GLU A 54 -2.969 11.856 -9.841 1.00 0.00 O ATOM 0 H GLU A 54 0.990 11.083 -5.860 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.638 12.525 -5.461 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.482 11.170 -7.621 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.363 9.874 -6.836 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.464 11.139 -6.943 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.630 12.578 -7.494 1.00 0.00 H new ATOM 797 N ILE A 55 -0.582 10.402 -3.533 1.00 0.00 N ATOM 798 CA ILE A 55 -0.923 9.489 -2.405 1.00 0.00 C ATOM 799 C ILE A 55 -0.088 9.837 -1.170 1.00 0.00 C ATOM 800 O ILE A 55 -0.579 9.846 -0.058 1.00 0.00 O ATOM 801 CB ILE A 55 -0.576 8.089 -2.909 1.00 0.00 C ATOM 802 CG1 ILE A 55 -1.061 7.049 -1.897 1.00 0.00 C ATOM 803 CG2 ILE A 55 0.939 7.967 -3.077 1.00 0.00 C ATOM 804 CD1 ILE A 55 -0.502 5.674 -2.268 1.00 0.00 C ATOM 0 H ILE A 55 0.365 10.781 -3.514 1.00 0.00 H new ATOM 0 HA ILE A 55 -1.970 9.569 -2.112 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.063 7.918 -3.869 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.738 7.325 -0.893 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.151 7.019 -1.885 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.186 6.968 -3.437 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.286 8.708 -3.797 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.426 8.138 -2.117 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.848 4.934 -1.547 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.847 5.398 -3.265 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.587 5.709 -2.258 1.00 0.00 H new ATOM 816 N ASP A 56 1.171 10.126 -1.356 1.00 0.00 N ATOM 817 CA ASP A 56 2.036 10.473 -0.191 1.00 0.00 C ATOM 818 C ASP A 56 1.401 11.606 0.620 1.00 0.00 C ATOM 819 O ASP A 56 0.985 12.611 0.079 1.00 0.00 O ATOM 820 CB ASP A 56 3.361 10.928 -0.804 1.00 0.00 C ATOM 821 CG ASP A 56 4.365 11.225 0.312 1.00 0.00 C ATOM 822 OD1 ASP A 56 4.841 10.281 0.920 1.00 0.00 O ATOM 823 OD2 ASP A 56 4.639 12.392 0.540 1.00 0.00 O ATOM 0 H ASP A 56 1.638 10.137 -2.263 1.00 0.00 H new ATOM 0 HA ASP A 56 2.170 9.632 0.490 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.753 10.154 -1.464 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.205 11.818 -1.414 1.00 0.00 H new ATOM 828 N VAL A 57 1.326 11.452 1.913 1.00 0.00 N ATOM 829 CA VAL A 57 0.718 12.521 2.758 1.00 0.00 C ATOM 830 C VAL A 57 1.813 13.311 3.480 1.00 0.00 C ATOM 831 O VAL A 57 1.685 14.496 3.714 1.00 0.00 O ATOM 832 CB VAL A 57 -0.160 11.779 3.765 1.00 0.00 C ATOM 833 CG1 VAL A 57 -0.943 12.791 4.603 1.00 0.00 C ATOM 834 CG2 VAL A 57 -1.139 10.873 3.014 1.00 0.00 C ATOM 0 H VAL A 57 1.659 10.633 2.422 1.00 0.00 H new ATOM 0 HA VAL A 57 0.146 13.237 2.169 1.00 0.00 H new ATOM 0 HB VAL A 57 0.468 11.175 4.420 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.569 12.262 5.321 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.247 13.438 5.136 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.572 13.395 3.949 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.766 10.343 3.730 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.767 11.478 2.360 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.582 10.152 2.416 1.00 0.00 H new ATOM 844 N ASP A 58 2.889 12.663 3.833 1.00 0.00 N ATOM 845 CA ASP A 58 3.991 13.378 4.540 1.00 0.00 C ATOM 846 C ASP A 58 5.211 12.463 4.678 1.00 0.00 C ATOM 847 O ASP A 58 5.608 12.101 5.768 1.00 0.00 O ATOM 848 CB ASP A 58 3.422 13.723 5.916 1.00 0.00 C ATOM 849 CG ASP A 58 4.179 14.916 6.499 1.00 0.00 C ATOM 850 OD1 ASP A 58 5.296 15.151 6.068 1.00 0.00 O ATOM 851 OD2 ASP A 58 3.631 15.576 7.366 1.00 0.00 O ATOM 0 H ASP A 58 3.053 11.671 3.663 1.00 0.00 H new ATOM 0 HA ASP A 58 4.319 14.267 4.001 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.361 13.958 5.833 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.508 12.864 6.582 1.00 0.00 H new ATOM 856 N GLY A 59 5.809 12.086 3.580 1.00 0.00 N ATOM 857 CA GLY A 59 7.001 11.196 3.650 1.00 0.00 C ATOM 858 C GLY A 59 6.549 9.734 3.644 1.00 0.00 C ATOM 859 O GLY A 59 6.637 9.051 2.643 1.00 0.00 O ATOM 0 H GLY A 59 5.523 12.356 2.639 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.661 11.387 2.804 1.00 0.00 H new ATOM 0 HA3 GLY A 59 7.573 11.407 4.554 1.00 0.00 H new ATOM 863 N ASN A 60 6.067 9.249 4.754 1.00 0.00 N ATOM 864 CA ASN A 60 5.608 7.831 4.812 1.00 0.00 C ATOM 865 C ASN A 60 4.099 7.772 5.056 1.00 0.00 C ATOM 866 O ASN A 60 3.473 8.763 5.375 1.00 0.00 O ATOM 867 CB ASN A 60 6.367 7.217 5.989 1.00 0.00 C ATOM 868 CG ASN A 60 6.421 5.696 5.824 1.00 0.00 C ATOM 869 OD1 ASN A 60 6.878 5.199 4.814 1.00 0.00 O ATOM 870 ND2 ASN A 60 5.971 4.933 6.782 1.00 0.00 N ATOM 0 H ASN A 60 5.971 9.772 5.624 1.00 0.00 H new ATOM 0 HA ASN A 60 5.799 7.297 3.881 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.377 7.624 6.037 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.875 7.474 6.927 1.00 0.00 H new ATOM 0 HD21 ASN A 60 6.003 3.918 6.683 1.00 0.00 H new ATOM 0 HD22 ASN A 60 5.588 5.351 7.630 1.00 0.00 H new ATOM 877 N HIS A 61 3.508 6.617 4.909 1.00 0.00 N ATOM 878 CA HIS A 61 2.038 6.496 5.133 1.00 0.00 C ATOM 879 C HIS A 61 1.594 5.041 4.957 1.00 0.00 C ATOM 880 O HIS A 61 2.370 4.186 4.581 1.00 0.00 O ATOM 881 CB HIS A 61 1.400 7.385 4.065 1.00 0.00 C ATOM 882 CG HIS A 61 1.552 6.737 2.715 1.00 0.00 C ATOM 883 ND1 HIS A 61 2.452 5.709 2.486 1.00 0.00 N ATOM 884 CD2 HIS A 61 0.926 6.963 1.514 1.00 0.00 C ATOM 885 CE1 HIS A 61 2.344 5.356 1.192 1.00 0.00 C ATOM 886 NE2 HIS A 61 1.428 6.089 0.553 1.00 0.00 N ATOM 0 H HIS A 61 3.979 5.752 4.644 1.00 0.00 H new ATOM 0 HA HIS A 61 1.747 6.796 6.140 1.00 0.00 H new ATOM 0 HB2 HIS A 61 0.345 7.540 4.289 1.00 0.00 H new ATOM 0 HB3 HIS A 61 1.873 8.367 4.064 1.00 0.00 H new ATOM 0 HD1 HIS A 61 3.082 5.295 3.173 1.00 0.00 H new ATOM 0 HD2 HIS A 61 0.161 7.705 1.341 1.00 0.00 H new ATOM 0 HE1 HIS A 61 2.927 4.575 0.727 1.00 0.00 H new ATOM 894 N GLN A 62 0.349 4.756 5.223 1.00 0.00 N ATOM 895 CA GLN A 62 -0.145 3.357 5.069 1.00 0.00 C ATOM 896 C GLN A 62 -1.068 3.255 3.851 1.00 0.00 C ATOM 897 O GLN A 62 -2.205 3.680 3.885 1.00 0.00 O ATOM 898 CB GLN A 62 -0.920 3.066 6.355 1.00 0.00 C ATOM 899 CG GLN A 62 0.039 2.521 7.416 1.00 0.00 C ATOM 900 CD GLN A 62 -0.576 2.707 8.804 1.00 0.00 C ATOM 901 OE1 GLN A 62 -1.781 2.778 8.943 1.00 0.00 O ATOM 902 NE2 GLN A 62 0.205 2.789 9.845 1.00 0.00 N ATOM 0 H GLN A 62 -0.348 5.430 5.540 1.00 0.00 H new ATOM 0 HA GLN A 62 0.667 2.646 4.914 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.401 3.975 6.716 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -1.712 2.343 6.159 1.00 0.00 H new ATOM 0 HG2 GLN A 62 0.238 1.465 7.233 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.996 3.040 7.358 1.00 0.00 H new ATOM 0 HE21 GLN A 62 1.217 2.730 9.730 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -0.196 2.913 10.775 1.00 0.00 H new ATOM 911 N ILE A 63 -0.585 2.697 2.776 1.00 0.00 N ATOM 912 CA ILE A 63 -1.432 2.570 1.556 1.00 0.00 C ATOM 913 C ILE A 63 -2.535 1.533 1.781 1.00 0.00 C ATOM 914 O ILE A 63 -2.474 0.734 2.695 1.00 0.00 O ATOM 915 CB ILE A 63 -0.476 2.104 0.458 1.00 0.00 C ATOM 916 CG1 ILE A 63 0.589 3.176 0.224 1.00 0.00 C ATOM 917 CG2 ILE A 63 -1.258 1.871 -0.836 1.00 0.00 C ATOM 918 CD1 ILE A 63 1.570 2.695 -0.846 1.00 0.00 C ATOM 0 H ILE A 63 0.360 2.323 2.689 1.00 0.00 H new ATOM 0 HA ILE A 63 -1.926 3.507 1.298 1.00 0.00 H new ATOM 0 HB ILE A 63 0.003 1.174 0.764 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.119 4.108 -0.091 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.120 3.385 1.152 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.576 1.539 -1.619 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.018 1.108 -0.669 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.738 2.800 -1.143 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.329 3.459 -1.013 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.049 1.774 -0.513 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.032 2.509 -1.775 1.00 0.00 H new ATOM 930 N GLU A 64 -3.544 1.538 0.954 1.00 0.00 N ATOM 931 CA GLU A 64 -4.649 0.552 1.117 1.00 0.00 C ATOM 932 C GLU A 64 -4.894 -0.185 -0.202 1.00 0.00 C ATOM 933 O GLU A 64 -4.990 0.418 -1.252 1.00 0.00 O ATOM 934 CB GLU A 64 -5.872 1.386 1.502 1.00 0.00 C ATOM 935 CG GLU A 64 -5.802 1.739 2.989 1.00 0.00 C ATOM 936 CD GLU A 64 -7.137 2.336 3.436 1.00 0.00 C ATOM 937 OE1 GLU A 64 -7.854 2.836 2.585 1.00 0.00 O ATOM 938 OE2 GLU A 64 -7.420 2.285 4.622 1.00 0.00 O ATOM 0 H GLU A 64 -3.651 2.183 0.171 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.422 -0.205 1.868 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.908 2.296 0.903 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.785 0.830 1.292 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.576 0.848 3.575 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.996 2.451 3.167 1.00 0.00 H new ATOM 945 N PHE A 65 -4.991 -1.486 -0.158 1.00 0.00 N ATOM 946 CA PHE A 65 -5.225 -2.260 -1.411 1.00 0.00 C ATOM 947 C PHE A 65 -6.273 -1.559 -2.280 1.00 0.00 C ATOM 948 O PHE A 65 -6.116 -1.435 -3.479 1.00 0.00 O ATOM 949 CB PHE A 65 -5.737 -3.622 -0.947 1.00 0.00 C ATOM 950 CG PHE A 65 -5.836 -4.551 -2.134 1.00 0.00 C ATOM 951 CD1 PHE A 65 -4.750 -4.686 -3.007 1.00 0.00 C ATOM 952 CD2 PHE A 65 -7.012 -5.274 -2.360 1.00 0.00 C ATOM 953 CE1 PHE A 65 -4.841 -5.545 -4.108 1.00 0.00 C ATOM 954 CE2 PHE A 65 -7.104 -6.133 -3.462 1.00 0.00 C ATOM 955 CZ PHE A 65 -6.018 -6.269 -4.335 1.00 0.00 C ATOM 0 H PHE A 65 -4.918 -2.046 0.691 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.322 -2.349 -2.015 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.064 -4.040 -0.199 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.713 -3.514 -0.473 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.843 -4.128 -2.831 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -7.849 -5.170 -1.685 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.004 -5.650 -4.782 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -8.012 -6.690 -3.638 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.088 -6.933 -5.184 1.00 0.00 H new ATOM 965 N SER A 66 -7.341 -1.102 -1.688 1.00 0.00 N ATOM 966 CA SER A 66 -8.396 -0.410 -2.483 1.00 0.00 C ATOM 967 C SER A 66 -7.800 0.796 -3.213 1.00 0.00 C ATOM 968 O SER A 66 -7.502 0.737 -4.389 1.00 0.00 O ATOM 969 CB SER A 66 -9.434 0.041 -1.458 1.00 0.00 C ATOM 970 OG SER A 66 -8.836 0.074 -0.168 1.00 0.00 O ATOM 0 H SER A 66 -7.530 -1.177 -0.688 1.00 0.00 H new ATOM 0 HA SER A 66 -8.832 -1.058 -3.244 1.00 0.00 H new ATOM 0 HB2 SER A 66 -9.816 1.028 -1.720 1.00 0.00 H new ATOM 0 HB3 SER A 66 -10.284 -0.641 -1.460 1.00 0.00 H new ATOM 0 HG SER A 66 -9.499 0.365 0.493 1.00 0.00 H new ATOM 976 N GLU A 67 -7.623 1.890 -2.524 1.00 0.00 N ATOM 977 CA GLU A 67 -7.044 3.098 -3.178 1.00 0.00 C ATOM 978 C GLU A 67 -5.867 2.701 -4.075 1.00 0.00 C ATOM 979 O GLU A 67 -5.671 3.252 -5.139 1.00 0.00 O ATOM 980 CB GLU A 67 -6.569 3.983 -2.025 1.00 0.00 C ATOM 981 CG GLU A 67 -5.610 5.050 -2.558 1.00 0.00 C ATOM 982 CD GLU A 67 -4.171 4.659 -2.217 1.00 0.00 C ATOM 983 OE1 GLU A 67 -3.996 3.826 -1.343 1.00 0.00 O ATOM 984 OE2 GLU A 67 -3.269 5.198 -2.836 1.00 0.00 O ATOM 0 H GLU A 67 -7.854 2.000 -1.537 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.766 3.611 -3.813 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.423 4.457 -1.541 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.070 3.376 -1.269 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.725 5.151 -3.637 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.848 6.019 -2.120 1.00 0.00 H new ATOM 991 N PHE A 68 -5.083 1.748 -3.650 1.00 0.00 N ATOM 992 CA PHE A 68 -3.921 1.315 -4.477 1.00 0.00 C ATOM 993 C PHE A 68 -4.380 0.972 -5.897 1.00 0.00 C ATOM 994 O PHE A 68 -3.989 1.605 -6.857 1.00 0.00 O ATOM 995 CB PHE A 68 -3.377 0.072 -3.771 1.00 0.00 C ATOM 996 CG PHE A 68 -2.447 -0.674 -4.699 1.00 0.00 C ATOM 997 CD1 PHE A 68 -1.740 0.020 -5.690 1.00 0.00 C ATOM 998 CD2 PHE A 68 -2.294 -2.059 -4.570 1.00 0.00 C ATOM 999 CE1 PHE A 68 -0.880 -0.672 -6.549 1.00 0.00 C ATOM 1000 CE2 PHE A 68 -1.432 -2.751 -5.430 1.00 0.00 C ATOM 1001 CZ PHE A 68 -0.726 -2.057 -6.420 1.00 0.00 C ATOM 0 H PHE A 68 -5.197 1.251 -2.767 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.165 2.095 -4.570 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.847 0.360 -2.863 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.200 -0.575 -3.467 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.859 1.089 -5.790 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.840 -2.594 -3.807 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.334 -0.137 -7.312 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -1.312 -3.820 -5.330 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.062 -2.591 -7.084 1.00 0.00 H new ATOM 1011 N LEU A 69 -5.209 -0.026 -6.036 1.00 0.00 N ATOM 1012 CA LEU A 69 -5.694 -0.408 -7.394 1.00 0.00 C ATOM 1013 C LEU A 69 -6.684 0.636 -7.916 1.00 0.00 C ATOM 1014 O LEU A 69 -6.611 1.060 -9.053 1.00 0.00 O ATOM 1015 CB LEU A 69 -6.389 -1.757 -7.199 1.00 0.00 C ATOM 1016 CG LEU A 69 -5.392 -2.888 -7.457 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -4.089 -2.607 -6.705 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -5.986 -4.210 -6.966 1.00 0.00 C ATOM 0 H LEU A 69 -5.571 -0.593 -5.270 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.884 -0.467 -8.121 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.785 -1.831 -6.186 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.236 -1.843 -7.879 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.187 -2.952 -8.526 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.380 -3.414 -6.891 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.665 -1.665 -7.052 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.293 -2.541 -5.636 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.277 -5.018 -7.149 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.191 -4.142 -5.898 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.913 -4.413 -7.501 1.00 0.00 H new ATOM 1030 N ALA A 70 -7.607 1.054 -7.094 1.00 0.00 N ATOM 1031 CA ALA A 70 -8.600 2.072 -7.545 1.00 0.00 C ATOM 1032 C ALA A 70 -7.900 3.173 -8.345 1.00 0.00 C ATOM 1033 O ALA A 70 -8.484 3.789 -9.215 1.00 0.00 O ATOM 1034 CB ALA A 70 -9.196 2.641 -6.257 1.00 0.00 C ATOM 0 H ALA A 70 -7.717 0.736 -6.131 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.365 1.645 -8.194 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -9.939 3.400 -6.504 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.671 1.840 -5.691 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -8.404 3.090 -5.657 1.00 0.00 H new ATOM 1040 N LEU A 71 -6.653 3.427 -8.058 1.00 0.00 N ATOM 1041 CA LEU A 71 -5.917 4.489 -8.803 1.00 0.00 C ATOM 1042 C LEU A 71 -4.965 3.857 -9.822 1.00 0.00 C ATOM 1043 O LEU A 71 -4.671 4.433 -10.852 1.00 0.00 O ATOM 1044 CB LEU A 71 -5.131 5.250 -7.735 1.00 0.00 C ATOM 1045 CG LEU A 71 -6.041 6.285 -7.072 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -7.296 5.593 -6.536 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -5.295 6.952 -5.914 1.00 0.00 C ATOM 0 H LEU A 71 -6.111 2.946 -7.340 1.00 0.00 H new ATOM 0 HA LEU A 71 -6.588 5.144 -9.359 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.747 4.556 -6.987 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.269 5.743 -8.185 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.326 7.040 -7.805 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.945 6.331 -6.063 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.828 5.116 -7.359 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.010 4.838 -5.803 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.943 7.690 -5.441 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.010 6.197 -5.182 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.400 7.445 -6.294 1.00 0.00 H new ATOM 1059 N MET A 72 -4.481 2.677 -9.544 1.00 0.00 N ATOM 1060 CA MET A 72 -3.549 2.011 -10.499 1.00 0.00 C ATOM 1061 C MET A 72 -4.296 1.603 -11.771 1.00 0.00 C ATOM 1062 O MET A 72 -3.699 1.334 -12.794 1.00 0.00 O ATOM 1063 CB MET A 72 -3.040 0.774 -9.756 1.00 0.00 C ATOM 1064 CG MET A 72 -1.516 0.835 -9.646 1.00 0.00 C ATOM 1065 SD MET A 72 -0.794 0.907 -11.304 1.00 0.00 S ATOM 1066 CE MET A 72 -0.912 -0.859 -11.679 1.00 0.00 C ATOM 0 H MET A 72 -4.690 2.146 -8.699 1.00 0.00 H new ATOM 0 HA MET A 72 -2.735 2.667 -10.807 1.00 0.00 H new ATOM 0 HB2 MET A 72 -3.485 0.725 -8.762 1.00 0.00 H new ATOM 0 HB3 MET A 72 -3.341 -0.130 -10.285 1.00 0.00 H new ATOM 0 HG2 MET A 72 -1.217 1.710 -9.069 1.00 0.00 H new ATOM 0 HG3 MET A 72 -1.144 -0.040 -9.113 1.00 0.00 H new ATOM 0 HE1 MET A 72 -0.388 -1.069 -12.612 1.00 0.00 H new ATOM 0 HE2 MET A 72 -0.459 -1.434 -10.871 1.00 0.00 H new ATOM 0 HE3 MET A 72 -1.960 -1.140 -11.781 1.00 0.00 H new ATOM 1076 N SER A 73 -5.600 1.557 -11.716 1.00 0.00 N ATOM 1077 CA SER A 73 -6.383 1.167 -12.922 1.00 0.00 C ATOM 1078 C SER A 73 -6.032 2.079 -14.101 1.00 0.00 C ATOM 1079 O SER A 73 -6.294 1.762 -15.244 1.00 0.00 O ATOM 1080 CB SER A 73 -7.846 1.351 -12.521 1.00 0.00 C ATOM 1081 OG SER A 73 -7.931 2.335 -11.500 1.00 0.00 O ATOM 0 H SER A 73 -6.156 1.773 -10.888 1.00 0.00 H new ATOM 0 HA SER A 73 -6.171 0.145 -13.238 1.00 0.00 H new ATOM 0 HB2 SER A 73 -8.437 1.655 -13.385 1.00 0.00 H new ATOM 0 HB3 SER A 73 -8.260 0.407 -12.168 1.00 0.00 H new ATOM 0 HG SER A 73 -8.521 2.015 -10.786 1.00 0.00 H new ATOM 1087 N ARG A 74 -5.439 3.210 -13.831 1.00 0.00 N ATOM 1088 CA ARG A 74 -5.070 4.141 -14.936 1.00 0.00 C ATOM 1089 C ARG A 74 -4.268 3.398 -16.007 1.00 0.00 C ATOM 1090 O ARG A 74 -4.747 3.154 -17.097 1.00 0.00 O ATOM 1091 CB ARG A 74 -4.211 5.220 -14.274 1.00 0.00 C ATOM 1092 CG ARG A 74 -5.117 6.291 -13.663 1.00 0.00 C ATOM 1093 CD ARG A 74 -4.326 7.589 -13.486 1.00 0.00 C ATOM 1094 NE ARG A 74 -3.747 7.872 -14.828 1.00 0.00 N ATOM 1095 CZ ARG A 74 -4.384 8.646 -15.664 1.00 0.00 C ATOM 1096 NH1 ARG A 74 -4.981 9.722 -15.231 1.00 0.00 N ATOM 1097 NH2 ARG A 74 -4.424 8.344 -16.933 1.00 0.00 N ATOM 0 H ARG A 74 -5.194 3.530 -12.894 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.945 4.563 -15.431 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.583 4.776 -13.502 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.543 5.670 -15.009 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -5.979 6.463 -14.307 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -5.500 5.952 -12.701 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -4.971 8.403 -13.155 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -3.545 7.476 -12.735 1.00 0.00 H new ATOM 0 HE ARG A 74 -2.852 7.461 -15.094 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -4.950 9.958 -14.239 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -5.479 10.327 -15.884 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -3.957 7.503 -17.272 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -4.922 8.949 -17.586 1.00 0.00 H new ATOM 1111 N GLN A 75 -3.051 3.038 -15.708 1.00 0.00 N ATOM 1112 CA GLN A 75 -2.219 2.312 -16.711 1.00 0.00 C ATOM 1113 C GLN A 75 -1.586 1.071 -16.074 1.00 0.00 C ATOM 1114 O GLN A 75 -0.560 1.148 -15.429 1.00 0.00 O ATOM 1115 CB GLN A 75 -1.139 3.310 -17.129 1.00 0.00 C ATOM 1116 CG GLN A 75 -1.715 4.285 -18.157 1.00 0.00 C ATOM 1117 CD GLN A 75 -2.029 3.533 -19.452 1.00 0.00 C ATOM 1118 OE1 GLN A 75 -3.105 3.667 -20.000 1.00 0.00 O ATOM 1119 NE2 GLN A 75 -1.128 2.743 -19.969 1.00 0.00 N ATOM 0 H GLN A 75 -2.595 3.215 -14.813 1.00 0.00 H new ATOM 0 HA GLN A 75 -2.806 1.968 -17.562 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -0.777 3.856 -16.258 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -0.285 2.782 -17.552 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -2.620 4.751 -17.766 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -1.003 5.087 -18.353 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -0.224 2.630 -19.509 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -1.327 2.238 -20.833 1.00 0.00 H new ATOM 1128 N LEU A 76 -2.191 -0.072 -16.250 1.00 0.00 N ATOM 1129 CA LEU A 76 -1.624 -1.315 -15.654 1.00 0.00 C ATOM 1130 C LEU A 76 -0.169 -1.498 -16.098 1.00 0.00 C ATOM 1131 O LEU A 76 0.643 -2.048 -15.382 1.00 0.00 O ATOM 1132 CB LEU A 76 -2.496 -2.448 -16.197 1.00 0.00 C ATOM 1133 CG LEU A 76 -2.522 -3.599 -15.191 1.00 0.00 C ATOM 1134 CD1 LEU A 76 -3.200 -3.134 -13.900 1.00 0.00 C ATOM 1135 CD2 LEU A 76 -3.305 -4.774 -15.782 1.00 0.00 C ATOM 0 H LEU A 76 -3.053 -0.199 -16.780 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.623 -1.288 -14.564 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.508 -2.087 -16.379 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.105 -2.796 -17.153 1.00 0.00 H new ATOM 0 HG LEU A 76 -1.501 -3.914 -14.973 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.219 -3.955 -13.183 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.644 -2.296 -13.479 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.221 -2.820 -14.118 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.324 -5.595 -15.066 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.325 -4.458 -16.000 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.824 -5.106 -16.702 1.00 0.00 H new ATOM 1147 N LYS A 77 0.164 -1.038 -17.273 1.00 0.00 N ATOM 1148 CA LYS A 77 1.566 -1.186 -17.760 1.00 0.00 C ATOM 1149 C LYS A 77 1.728 -0.502 -19.121 1.00 0.00 C ATOM 1150 O LYS A 77 2.675 0.251 -19.273 1.00 0.00 O ATOM 1151 CB LYS A 77 1.784 -2.694 -17.890 1.00 0.00 C ATOM 1152 CG LYS A 77 3.185 -2.962 -18.442 1.00 0.00 C ATOM 1153 CD LYS A 77 3.079 -3.771 -19.736 1.00 0.00 C ATOM 1154 CE LYS A 77 3.975 -3.145 -20.806 1.00 0.00 C ATOM 1155 NZ LYS A 77 5.047 -4.150 -21.046 1.00 0.00 N ATOM 1156 OXT LYS A 77 0.900 -0.742 -19.985 1.00 0.00 O ATOM 0 H LYS A 77 -0.472 -0.567 -17.916 1.00 0.00 H new ATOM 0 HA LYS A 77 2.288 -0.726 -17.085 1.00 0.00 H new ATOM 0 HB2 LYS A 77 1.667 -3.174 -16.918 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.032 -3.125 -18.551 1.00 0.00 H new ATOM 0 HG2 LYS A 77 3.699 -2.020 -18.631 1.00 0.00 H new ATOM 0 HG3 LYS A 77 3.778 -3.507 -17.708 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.377 -4.804 -19.557 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.045 -3.792 -20.080 1.00 0.00 H new ATOM 0 HE2 LYS A 77 3.415 -2.939 -21.718 1.00 0.00 H new ATOM 0 HE3 LYS A 77 4.392 -2.197 -20.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 5.703 -3.792 -21.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 5.567 -4.321 -20.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 4.621 -5.040 -21.375 1.00 0.00 H new TER 1170 LYS A 77