USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=16 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 NoAdj : A 60 ASNHD21 : A 60 ASN OD1 : A 102 CACA :(metal ligand) USER MOD NoAdj : A 60 ASNHD22 : A 60 ASN OD1 : A 102 CACA :(metal ligand) USER MOD Set 1.1: A 29 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 52 MET CE :methyl -161:sc= -1.16 (180deg=-2.05) USER MOD Set 2.1: A 26 SER OG : rot -170:sc= -0.059 USER MOD Set 2.2: A 62 GLN : amide:sc= -3.82! C(o=-3.9!,f=-7.1!) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot -63:sc= 1.11 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 -56:sc= 0.29 USER MOD Single : A 8 GLN : amide:sc= -2.3 K(o=-2.3,f=-4.5!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 175:sc= 0.148 (180deg=0.141) USER MOD Single : A 23 ASN : amide:sc= -1.58 K(o=-1.6,f=-0.9) USER MOD Single : A 24 ASN : amide:sc= -9.31! C(o=-9.3!,f=-12!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 73:sc= -0.0754 USER MOD Single : A 36 MET CE :methyl -115:sc= -0.342 (180deg=-2.28!) 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= -0.0164 USER MOD Single : A 49 ASN : amide:sc= -1.07 K(o=-1.1,f=-0.18) USER MOD Single : A 53 ASN : amide:sc= -0.427 X(o=-0.43,f=-0.13) USER MOD Single : A 61 HIS : no HD1:sc= -1.99! C(o=-2!,f=-3.1!) USER MOD Single : A 66 SER OG : rot 180:sc= 0.0942 USER MOD Single : A 72 MET CE :methyl 180:sc= -0.0253 (180deg=-0.0253) USER MOD Single : A 73 SER OG : rot 180:sc= 0.00761 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -22.512 -3.148 -22.804 1.00 0.00 N ATOM 2 CA SER A 1 -22.127 -2.357 -21.599 1.00 0.00 C ATOM 3 C SER A 1 -20.908 -2.987 -20.920 1.00 0.00 C ATOM 4 O SER A 1 -20.954 -3.364 -19.765 1.00 0.00 O ATOM 5 CB SER A 1 -23.345 -2.418 -20.679 1.00 0.00 C ATOM 6 OG SER A 1 -22.959 -2.040 -19.364 1.00 0.00 O ATOM 0 H1 SER A 1 -23.340 -2.711 -23.256 1.00 0.00 H new ATOM 0 H2 SER A 1 -21.719 -3.164 -23.476 1.00 0.00 H new ATOM 0 H3 SER A 1 -22.746 -4.121 -22.520 1.00 0.00 H new ATOM 0 HA SER A 1 -21.856 -1.331 -21.848 1.00 0.00 H new ATOM 0 HB2 SER A 1 -24.126 -1.753 -21.046 1.00 0.00 H new ATOM 0 HB3 SER A 1 -23.761 -3.426 -20.673 1.00 0.00 H new ATOM 0 HG SER A 1 -22.306 -2.683 -19.017 1.00 0.00 H new ATOM 14 N SER A 2 -19.817 -3.104 -21.627 1.00 0.00 N ATOM 15 CA SER A 2 -18.597 -3.710 -21.021 1.00 0.00 C ATOM 16 C SER A 2 -17.353 -2.925 -21.443 1.00 0.00 C ATOM 17 O SER A 2 -16.583 -3.363 -22.275 1.00 0.00 O ATOM 18 CB SER A 2 -18.546 -5.133 -21.573 1.00 0.00 C ATOM 19 OG SER A 2 -19.538 -5.922 -20.930 1.00 0.00 O ATOM 0 H SER A 2 -19.718 -2.806 -22.598 1.00 0.00 H new ATOM 0 HA SER A 2 -18.626 -3.697 -19.931 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.714 -5.124 -22.650 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.559 -5.564 -21.408 1.00 0.00 H new ATOM 0 HG SER A 2 -19.509 -6.836 -21.283 1.00 0.00 H new ATOM 25 N ASN A 3 -17.148 -1.768 -20.875 1.00 0.00 N ATOM 26 CA ASN A 3 -15.953 -0.957 -21.245 1.00 0.00 C ATOM 27 C ASN A 3 -15.033 -0.786 -20.032 1.00 0.00 C ATOM 28 O ASN A 3 -13.936 -1.307 -19.996 1.00 0.00 O ATOM 29 CB ASN A 3 -16.513 0.396 -21.688 1.00 0.00 C ATOM 30 CG ASN A 3 -17.371 0.208 -22.941 1.00 0.00 C ATOM 31 OD1 ASN A 3 -16.859 -0.088 -24.002 1.00 0.00 O ATOM 32 ND2 ASN A 3 -18.663 0.367 -22.861 1.00 0.00 N ATOM 0 H ASN A 3 -17.756 -1.349 -20.171 1.00 0.00 H new ATOM 0 HA ASN A 3 -15.361 -1.429 -22.029 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -17.110 0.834 -20.888 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -15.697 1.089 -21.893 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -19.244 0.243 -23.690 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -19.092 0.616 -21.970 1.00 0.00 H new ATOM 39 N LEU A 4 -15.472 -0.060 -19.041 1.00 0.00 N ATOM 40 CA LEU A 4 -14.621 0.143 -17.833 1.00 0.00 C ATOM 41 C LEU A 4 -15.405 -0.232 -16.567 1.00 0.00 C ATOM 42 O LEU A 4 -15.863 -1.347 -16.426 1.00 0.00 O ATOM 43 CB LEU A 4 -14.271 1.632 -17.851 1.00 0.00 C ATOM 44 CG LEU A 4 -15.552 2.456 -17.979 1.00 0.00 C ATOM 45 CD1 LEU A 4 -15.362 3.808 -17.286 1.00 0.00 C ATOM 46 CD2 LEU A 4 -15.865 2.683 -19.460 1.00 0.00 C ATOM 0 H LEU A 4 -16.381 0.401 -19.015 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.726 -0.480 -17.836 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -13.742 1.903 -16.938 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -13.602 1.849 -18.684 1.00 0.00 H new ATOM 0 HG LEU A 4 -16.377 1.920 -17.510 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -16.276 4.395 -17.377 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -15.138 3.648 -16.231 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -14.537 4.345 -17.755 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -16.778 3.271 -19.553 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -15.040 3.219 -19.928 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -16.000 1.721 -19.955 1.00 0.00 H new ATOM 58 N THR A 5 -15.568 0.683 -15.646 1.00 0.00 N ATOM 59 CA THR A 5 -16.328 0.358 -14.402 1.00 0.00 C ATOM 60 C THR A 5 -15.756 -0.904 -13.750 1.00 0.00 C ATOM 61 O THR A 5 -14.568 -1.152 -13.793 1.00 0.00 O ATOM 62 CB THR A 5 -17.773 0.115 -14.858 1.00 0.00 C ATOM 63 OG1 THR A 5 -17.906 -1.226 -15.310 1.00 0.00 O ATOM 64 CG2 THR A 5 -18.134 1.077 -15.994 1.00 0.00 C ATOM 0 H THR A 5 -15.210 1.636 -15.701 1.00 0.00 H new ATOM 0 HA THR A 5 -16.266 1.159 -13.665 1.00 0.00 H new ATOM 0 HB THR A 5 -18.447 0.288 -14.019 1.00 0.00 H new ATOM 0 HG1 THR A 5 -17.255 -1.397 -16.022 1.00 0.00 H new ATOM 0 HG21 THR A 5 -19.161 0.897 -16.311 1.00 0.00 H new ATOM 0 HG22 THR A 5 -18.037 2.105 -15.645 1.00 0.00 H new ATOM 0 HG23 THR A 5 -17.461 0.915 -16.836 1.00 0.00 H new ATOM 72 N GLU A 6 -16.595 -1.702 -13.147 1.00 0.00 N ATOM 73 CA GLU A 6 -16.103 -2.949 -12.492 1.00 0.00 C ATOM 74 C GLU A 6 -15.061 -3.634 -13.378 1.00 0.00 C ATOM 75 O GLU A 6 -14.161 -4.296 -12.901 1.00 0.00 O ATOM 76 CB GLU A 6 -17.345 -3.827 -12.339 1.00 0.00 C ATOM 77 CG GLU A 6 -17.720 -4.433 -13.693 1.00 0.00 C ATOM 78 CD GLU A 6 -18.921 -5.365 -13.521 1.00 0.00 C ATOM 79 OE1 GLU A 6 -19.957 -4.889 -13.086 1.00 0.00 O ATOM 80 OE2 GLU A 6 -18.785 -6.538 -13.827 1.00 0.00 O ATOM 0 H GLU A 6 -17.601 -1.545 -13.079 1.00 0.00 H new ATOM 0 HA GLU A 6 -15.622 -2.754 -11.534 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -17.155 -4.620 -11.615 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -18.175 -3.235 -11.953 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -17.959 -3.642 -14.404 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -16.874 -4.985 -14.103 1.00 0.00 H new ATOM 87 N GLU A 7 -15.174 -3.469 -14.666 1.00 0.00 N ATOM 88 CA GLU A 7 -14.189 -4.098 -15.588 1.00 0.00 C ATOM 89 C GLU A 7 -12.848 -3.379 -15.464 1.00 0.00 C ATOM 90 O GLU A 7 -11.809 -3.996 -15.328 1.00 0.00 O ATOM 91 CB GLU A 7 -14.775 -3.914 -16.988 1.00 0.00 C ATOM 92 CG GLU A 7 -16.247 -4.329 -16.984 1.00 0.00 C ATOM 93 CD GLU A 7 -16.486 -5.376 -18.075 1.00 0.00 C ATOM 94 OE1 GLU A 7 -16.223 -6.539 -17.819 1.00 0.00 O ATOM 95 OE2 GLU A 7 -16.926 -4.996 -19.148 1.00 0.00 O ATOM 0 H GLU A 7 -15.907 -2.925 -15.120 1.00 0.00 H new ATOM 0 HA GLU A 7 -14.016 -5.151 -15.365 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -14.680 -2.874 -17.299 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -14.219 -4.514 -17.708 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -16.519 -4.735 -16.010 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -16.881 -3.459 -17.155 1.00 0.00 H new ATOM 102 N GLN A 8 -12.865 -2.075 -15.494 1.00 0.00 N ATOM 103 CA GLN A 8 -11.588 -1.320 -15.359 1.00 0.00 C ATOM 104 C GLN A 8 -11.083 -1.449 -13.921 1.00 0.00 C ATOM 105 O GLN A 8 -9.926 -1.727 -13.677 1.00 0.00 O ATOM 106 CB GLN A 8 -11.933 0.136 -15.713 1.00 0.00 C ATOM 107 CG GLN A 8 -12.381 0.906 -14.466 1.00 0.00 C ATOM 108 CD GLN A 8 -12.571 2.383 -14.818 1.00 0.00 C ATOM 109 OE1 GLN A 8 -12.039 2.858 -15.802 1.00 0.00 O ATOM 110 NE2 GLN A 8 -13.310 3.135 -14.049 1.00 0.00 N ATOM 0 H GLN A 8 -13.702 -1.503 -15.605 1.00 0.00 H new ATOM 0 HA GLN A 8 -10.798 -1.694 -16.010 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -11.064 0.624 -16.155 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.724 0.155 -16.462 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -13.313 0.490 -14.084 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.638 0.802 -13.675 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -13.757 2.737 -13.223 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -13.441 4.121 -14.274 1.00 0.00 H new ATOM 119 N ILE A 9 -11.955 -1.265 -12.967 1.00 0.00 N ATOM 120 CA ILE A 9 -11.543 -1.392 -11.544 1.00 0.00 C ATOM 121 C ILE A 9 -10.865 -2.742 -11.320 1.00 0.00 C ATOM 122 O ILE A 9 -9.703 -2.814 -10.986 1.00 0.00 O ATOM 123 CB ILE A 9 -12.845 -1.317 -10.750 1.00 0.00 C ATOM 124 CG1 ILE A 9 -13.499 0.049 -10.969 1.00 0.00 C ATOM 125 CG2 ILE A 9 -12.543 -1.510 -9.265 1.00 0.00 C ATOM 126 CD1 ILE A 9 -15.016 -0.086 -10.823 1.00 0.00 C ATOM 0 H ILE A 9 -12.937 -1.032 -13.114 1.00 0.00 H new ATOM 0 HA ILE A 9 -10.835 -0.619 -11.244 1.00 0.00 H new ATOM 0 HB ILE A 9 -13.525 -2.100 -11.087 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -13.115 0.769 -10.246 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -13.250 0.429 -11.960 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -13.471 -1.457 -8.695 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -12.078 -2.484 -9.112 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -11.864 -0.727 -8.927 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -15.484 0.886 -10.979 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -15.391 -0.792 -11.563 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -15.255 -0.448 -9.823 1.00 0.00 H new ATOM 138 N ALA A 10 -11.585 -3.815 -11.509 1.00 0.00 N ATOM 139 CA ALA A 10 -10.973 -5.160 -11.310 1.00 0.00 C ATOM 140 C ALA A 10 -9.582 -5.195 -11.945 1.00 0.00 C ATOM 141 O ALA A 10 -8.614 -5.608 -11.332 1.00 0.00 O ATOM 142 CB ALA A 10 -11.914 -6.135 -12.020 1.00 0.00 C ATOM 0 H ALA A 10 -12.565 -3.819 -11.791 1.00 0.00 H new ATOM 0 HA ALA A 10 -10.852 -5.412 -10.256 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -11.530 -7.150 -11.918 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -12.906 -6.075 -11.572 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -11.977 -5.875 -13.077 1.00 0.00 H new ATOM 148 N GLU A 11 -9.472 -4.751 -13.167 1.00 0.00 N ATOM 149 CA GLU A 11 -8.144 -4.747 -13.840 1.00 0.00 C ATOM 150 C GLU A 11 -7.180 -3.845 -13.068 1.00 0.00 C ATOM 151 O GLU A 11 -6.026 -4.172 -12.871 1.00 0.00 O ATOM 152 CB GLU A 11 -8.407 -4.183 -15.237 1.00 0.00 C ATOM 153 CG GLU A 11 -7.423 -4.802 -16.233 1.00 0.00 C ATOM 154 CD GLU A 11 -7.200 -3.837 -17.398 1.00 0.00 C ATOM 155 OE1 GLU A 11 -6.894 -2.685 -17.138 1.00 0.00 O ATOM 156 OE2 GLU A 11 -7.339 -4.266 -18.531 1.00 0.00 O ATOM 0 H GLU A 11 -10.244 -4.391 -13.728 1.00 0.00 H new ATOM 0 HA GLU A 11 -7.694 -5.739 -13.885 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.431 -4.399 -15.540 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.298 -3.098 -15.229 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.476 -5.017 -15.739 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.812 -5.751 -16.602 1.00 0.00 H new ATOM 163 N PHE A 12 -7.651 -2.714 -12.621 1.00 0.00 N ATOM 164 CA PHE A 12 -6.772 -1.791 -11.853 1.00 0.00 C ATOM 165 C PHE A 12 -6.340 -2.460 -10.546 1.00 0.00 C ATOM 166 O PHE A 12 -5.173 -2.488 -10.209 1.00 0.00 O ATOM 167 CB PHE A 12 -7.639 -0.562 -11.577 1.00 0.00 C ATOM 168 CG PHE A 12 -7.811 0.224 -12.856 1.00 0.00 C ATOM 169 CD1 PHE A 12 -6.695 0.516 -13.648 1.00 0.00 C ATOM 170 CD2 PHE A 12 -9.082 0.660 -13.251 1.00 0.00 C ATOM 171 CE1 PHE A 12 -6.848 1.244 -14.834 1.00 0.00 C ATOM 172 CE2 PHE A 12 -9.234 1.388 -14.438 1.00 0.00 C ATOM 173 CZ PHE A 12 -8.117 1.680 -15.229 1.00 0.00 C ATOM 0 H PHE A 12 -8.609 -2.389 -12.755 1.00 0.00 H new ATOM 0 HA PHE A 12 -5.862 -1.527 -12.392 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -8.611 -0.868 -11.191 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -7.174 0.061 -10.813 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -5.715 0.179 -13.344 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -9.944 0.435 -12.641 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.986 1.469 -15.444 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -10.214 1.724 -14.743 1.00 0.00 H new ATOM 0 HZ PHE A 12 -8.235 2.242 -16.144 1.00 0.00 H new ATOM 183 N LYS A 13 -7.272 -3.010 -9.817 1.00 0.00 N ATOM 184 CA LYS A 13 -6.916 -3.690 -8.540 1.00 0.00 C ATOM 185 C LYS A 13 -5.671 -4.547 -8.755 1.00 0.00 C ATOM 186 O LYS A 13 -4.680 -4.406 -8.068 1.00 0.00 O ATOM 187 CB LYS A 13 -8.123 -4.565 -8.202 1.00 0.00 C ATOM 188 CG LYS A 13 -9.233 -3.697 -7.607 1.00 0.00 C ATOM 189 CD LYS A 13 -10.300 -4.594 -6.975 1.00 0.00 C ATOM 190 CE LYS A 13 -11.563 -3.773 -6.706 1.00 0.00 C ATOM 191 NZ LYS A 13 -11.498 -3.429 -5.259 1.00 0.00 N ATOM 0 H LYS A 13 -8.265 -3.018 -10.051 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.695 -2.988 -7.735 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.483 -5.069 -9.099 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -7.835 -5.342 -7.494 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -8.819 -3.023 -6.857 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.679 -3.075 -8.384 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -10.530 -5.427 -7.639 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -9.926 -5.022 -6.045 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -11.590 -2.876 -7.324 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -12.462 -4.345 -6.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -12.332 -2.865 -4.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -11.481 -4.303 -4.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -10.636 -2.879 -5.071 1.00 0.00 H new ATOM 205 N GLU A 14 -5.708 -5.428 -9.719 1.00 0.00 N ATOM 206 CA GLU A 14 -4.515 -6.278 -9.983 1.00 0.00 C ATOM 207 C GLU A 14 -3.290 -5.382 -10.169 1.00 0.00 C ATOM 208 O GLU A 14 -2.228 -5.639 -9.636 1.00 0.00 O ATOM 209 CB GLU A 14 -4.837 -7.028 -11.277 1.00 0.00 C ATOM 210 CG GLU A 14 -4.839 -8.534 -11.007 1.00 0.00 C ATOM 211 CD GLU A 14 -6.172 -8.936 -10.373 1.00 0.00 C ATOM 212 OE1 GLU A 14 -6.290 -8.818 -9.164 1.00 0.00 O ATOM 213 OE2 GLU A 14 -7.052 -9.357 -11.106 1.00 0.00 O ATOM 0 H GLU A 14 -6.508 -5.594 -10.330 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.297 -6.967 -9.167 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.809 -6.715 -11.659 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.100 -6.786 -12.043 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.687 -9.081 -11.937 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.015 -8.797 -10.344 1.00 0.00 H new ATOM 220 N ALA A 15 -3.436 -4.318 -10.914 1.00 0.00 N ATOM 221 CA ALA A 15 -2.288 -3.393 -11.126 1.00 0.00 C ATOM 222 C ALA A 15 -1.922 -2.710 -9.807 1.00 0.00 C ATOM 223 O ALA A 15 -0.772 -2.671 -9.418 1.00 0.00 O ATOM 224 CB ALA A 15 -2.786 -2.365 -12.142 1.00 0.00 C ATOM 0 H ALA A 15 -4.301 -4.051 -11.384 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.396 -3.911 -11.480 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.994 -1.646 -12.351 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.068 -2.872 -13.065 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.652 -1.842 -11.736 1.00 0.00 H new ATOM 230 N PHE A 16 -2.890 -2.174 -9.113 1.00 0.00 N ATOM 231 CA PHE A 16 -2.585 -1.502 -7.819 1.00 0.00 C ATOM 232 C PHE A 16 -1.661 -2.388 -6.986 1.00 0.00 C ATOM 233 O PHE A 16 -0.529 -2.043 -6.715 1.00 0.00 O ATOM 234 CB PHE A 16 -3.930 -1.333 -7.113 1.00 0.00 C ATOM 235 CG PHE A 16 -3.682 -0.885 -5.693 1.00 0.00 C ATOM 236 CD1 PHE A 16 -3.386 0.457 -5.423 1.00 0.00 C ATOM 237 CD2 PHE A 16 -3.738 -1.813 -4.644 1.00 0.00 C ATOM 238 CE1 PHE A 16 -3.148 0.872 -4.108 1.00 0.00 C ATOM 239 CE2 PHE A 16 -3.499 -1.397 -3.329 1.00 0.00 C ATOM 240 CZ PHE A 16 -3.205 -0.055 -3.061 1.00 0.00 C ATOM 0 H PHE A 16 -3.873 -2.173 -9.385 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.086 -0.544 -7.963 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.542 -0.600 -7.638 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.481 -2.273 -7.121 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -3.341 1.172 -6.231 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.965 -2.848 -4.850 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.920 1.907 -3.901 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.541 -2.112 -2.521 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.022 0.265 -2.046 1.00 0.00 H new ATOM 250 N ALA A 17 -2.136 -3.536 -6.581 1.00 0.00 N ATOM 251 CA ALA A 17 -1.283 -4.447 -5.771 1.00 0.00 C ATOM 252 C ALA A 17 0.120 -4.506 -6.376 1.00 0.00 C ATOM 253 O ALA A 17 1.111 -4.374 -5.684 1.00 0.00 O ATOM 254 CB ALA A 17 -1.966 -5.813 -5.855 1.00 0.00 C ATOM 0 H ALA A 17 -3.076 -3.880 -6.777 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.177 -4.115 -4.738 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.394 -6.542 -5.280 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.975 -5.741 -5.448 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.016 -6.131 -6.896 1.00 0.00 H new ATOM 260 N LEU A 18 0.214 -4.691 -7.666 1.00 0.00 N ATOM 261 CA LEU A 18 1.555 -4.743 -8.311 1.00 0.00 C ATOM 262 C LEU A 18 2.429 -3.615 -7.759 1.00 0.00 C ATOM 263 O LEU A 18 3.559 -3.827 -7.362 1.00 0.00 O ATOM 264 CB LEU A 18 1.289 -4.538 -9.802 1.00 0.00 C ATOM 265 CG LEU A 18 2.174 -5.486 -10.614 1.00 0.00 C ATOM 266 CD1 LEU A 18 1.619 -6.909 -10.518 1.00 0.00 C ATOM 267 CD2 LEU A 18 2.187 -5.042 -12.077 1.00 0.00 C ATOM 0 H LEU A 18 -0.578 -4.808 -8.298 1.00 0.00 H new ATOM 0 HA LEU A 18 2.076 -5.682 -8.123 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.238 -4.725 -10.024 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.494 -3.504 -10.080 1.00 0.00 H new ATOM 0 HG LEU A 18 3.189 -5.464 -10.218 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.249 -7.585 -11.096 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.608 -7.226 -9.475 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.604 -6.931 -10.914 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.817 -5.717 -12.656 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.172 -5.064 -12.473 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.581 -4.028 -12.146 1.00 0.00 H new ATOM 279 N PHE A 19 1.908 -2.418 -7.720 1.00 0.00 N ATOM 280 CA PHE A 19 2.699 -1.278 -7.179 1.00 0.00 C ATOM 281 C PHE A 19 2.925 -1.477 -5.680 1.00 0.00 C ATOM 282 O PHE A 19 3.983 -1.193 -5.155 1.00 0.00 O ATOM 283 CB PHE A 19 1.837 -0.041 -7.433 1.00 0.00 C ATOM 284 CG PHE A 19 1.512 0.058 -8.905 1.00 0.00 C ATOM 285 CD1 PHE A 19 2.533 -0.058 -9.856 1.00 0.00 C ATOM 286 CD2 PHE A 19 0.191 0.267 -9.319 1.00 0.00 C ATOM 287 CE1 PHE A 19 2.234 0.034 -11.220 1.00 0.00 C ATOM 288 CE2 PHE A 19 -0.110 0.359 -10.684 1.00 0.00 C ATOM 289 CZ PHE A 19 0.912 0.243 -11.634 1.00 0.00 C ATOM 0 H PHE A 19 0.969 -2.182 -8.040 1.00 0.00 H new ATOM 0 HA PHE A 19 3.680 -1.188 -7.646 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.918 -0.101 -6.851 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.364 0.855 -7.106 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.552 -0.219 -9.537 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.597 0.357 -8.585 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.022 -0.056 -11.953 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.129 0.519 -11.003 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.681 0.315 -12.687 1.00 0.00 H new ATOM 299 N ASP A 20 1.934 -1.974 -4.989 1.00 0.00 N ATOM 300 CA ASP A 20 2.081 -2.204 -3.524 1.00 0.00 C ATOM 301 C ASP A 20 2.814 -3.525 -3.272 1.00 0.00 C ATOM 302 O ASP A 20 2.349 -4.584 -3.643 1.00 0.00 O ATOM 303 CB ASP A 20 0.649 -2.275 -2.994 1.00 0.00 C ATOM 304 CG ASP A 20 0.654 -2.078 -1.477 1.00 0.00 C ATOM 305 OD1 ASP A 20 1.732 -2.047 -0.907 1.00 0.00 O ATOM 306 OD2 ASP A 20 -0.420 -1.960 -0.911 1.00 0.00 O ATOM 0 H ASP A 20 1.027 -2.231 -5.378 1.00 0.00 H new ATOM 0 HA ASP A 20 2.659 -1.421 -3.034 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.036 -1.509 -3.469 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.205 -3.238 -3.244 1.00 0.00 H new ATOM 311 N LYS A 21 3.959 -3.471 -2.649 1.00 0.00 N ATOM 312 CA LYS A 21 4.720 -4.726 -2.379 1.00 0.00 C ATOM 313 C LYS A 21 4.309 -5.319 -1.029 1.00 0.00 C ATOM 314 O LYS A 21 4.898 -6.268 -0.552 1.00 0.00 O ATOM 315 CB LYS A 21 6.188 -4.300 -2.355 1.00 0.00 C ATOM 316 CG LYS A 21 6.644 -3.962 -3.775 1.00 0.00 C ATOM 317 CD LYS A 21 6.949 -5.255 -4.534 1.00 0.00 C ATOM 318 CE LYS A 21 5.697 -5.715 -5.283 1.00 0.00 C ATOM 319 NZ LYS A 21 6.153 -5.960 -6.680 1.00 0.00 N ATOM 0 H LYS A 21 4.401 -2.614 -2.315 1.00 0.00 H new ATOM 0 HA LYS A 21 4.530 -5.493 -3.130 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.316 -3.435 -1.705 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.803 -5.101 -1.945 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.868 -3.398 -4.293 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.531 -3.329 -3.743 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.767 -5.093 -5.236 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.275 -6.029 -3.839 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.281 -6.619 -4.839 1.00 0.00 H new ATOM 0 HE3 LYS A 21 4.916 -4.956 -5.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 5.370 -6.359 -7.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.459 -5.063 -7.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.949 -6.629 -6.673 1.00 0.00 H new ATOM 333 N ASP A 22 3.301 -4.767 -0.409 1.00 0.00 N ATOM 334 CA ASP A 22 2.854 -5.303 0.909 1.00 0.00 C ATOM 335 C ASP A 22 1.374 -5.688 0.848 1.00 0.00 C ATOM 336 O ASP A 22 0.859 -6.354 1.725 1.00 0.00 O ATOM 337 CB ASP A 22 3.071 -4.156 1.895 1.00 0.00 C ATOM 338 CG ASP A 22 4.465 -3.561 1.689 1.00 0.00 C ATOM 339 OD1 ASP A 22 5.397 -4.330 1.520 1.00 0.00 O ATOM 340 OD2 ASP A 22 4.578 -2.346 1.706 1.00 0.00 O ATOM 0 H ASP A 22 2.769 -3.970 -0.757 1.00 0.00 H new ATOM 0 HA ASP A 22 3.402 -6.199 1.200 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.311 -3.388 1.749 1.00 0.00 H new ATOM 0 HB3 ASP A 22 2.966 -4.517 2.918 1.00 0.00 H new ATOM 345 N ASN A 23 0.686 -5.275 -0.180 1.00 0.00 N ATOM 346 CA ASN A 23 -0.762 -5.617 -0.300 1.00 0.00 C ATOM 347 C ASN A 23 -1.546 -5.006 0.862 1.00 0.00 C ATOM 348 O ASN A 23 -2.594 -5.493 1.239 1.00 0.00 O ATOM 349 CB ASN A 23 -0.828 -7.144 -0.234 1.00 0.00 C ATOM 350 CG ASN A 23 0.327 -7.752 -1.035 1.00 0.00 C ATOM 351 OD1 ASN A 23 0.839 -8.797 -0.685 1.00 0.00 O ATOM 352 ND2 ASN A 23 0.761 -7.136 -2.101 1.00 0.00 N ATOM 0 H ASN A 23 1.063 -4.714 -0.944 1.00 0.00 H new ATOM 0 HA ASN A 23 -1.195 -5.231 -1.223 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -0.776 -7.474 0.803 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -1.781 -7.493 -0.632 1.00 0.00 H new ATOM 0 HD21 ASN A 23 1.531 -7.532 -2.641 1.00 0.00 H new ATOM 0 HD22 ASN A 23 0.331 -6.259 -2.394 1.00 0.00 H new ATOM 359 N ASN A 24 -1.054 -3.941 1.432 1.00 0.00 N ATOM 360 CA ASN A 24 -1.781 -3.301 2.565 1.00 0.00 C ATOM 361 C ASN A 24 -2.817 -2.310 2.030 1.00 0.00 C ATOM 362 O ASN A 24 -3.214 -1.385 2.710 1.00 0.00 O ATOM 363 CB ASN A 24 -0.705 -2.565 3.368 1.00 0.00 C ATOM 364 CG ASN A 24 0.524 -3.462 3.525 1.00 0.00 C ATOM 365 OD1 ASN A 24 1.629 -2.977 3.667 1.00 0.00 O ATOM 366 ND2 ASN A 24 0.377 -4.760 3.508 1.00 0.00 N ATOM 0 H ASN A 24 -0.181 -3.486 1.163 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.316 -4.029 3.175 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -0.430 -1.639 2.863 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -1.094 -2.289 4.348 1.00 0.00 H new ATOM 0 HD21 ASN A 24 1.190 -5.367 3.614 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -0.551 -5.167 3.389 1.00 0.00 H new ATOM 373 N GLY A 25 -3.252 -2.492 0.812 1.00 0.00 N ATOM 374 CA GLY A 25 -4.253 -1.554 0.233 1.00 0.00 C ATOM 375 C GLY A 25 -3.645 -0.154 0.171 1.00 0.00 C ATOM 376 O GLY A 25 -4.337 0.830 -0.001 1.00 0.00 O ATOM 0 H GLY A 25 -2.957 -3.249 0.195 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.544 -1.883 -0.765 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.157 -1.545 0.842 1.00 0.00 H new ATOM 380 N SER A 26 -2.352 -0.061 0.309 1.00 0.00 N ATOM 381 CA SER A 26 -1.685 1.270 0.262 1.00 0.00 C ATOM 382 C SER A 26 -0.299 1.136 -0.374 1.00 0.00 C ATOM 383 O SER A 26 0.376 0.141 -0.205 1.00 0.00 O ATOM 384 CB SER A 26 -1.570 1.700 1.723 1.00 0.00 C ATOM 385 OG SER A 26 -0.265 2.212 1.960 1.00 0.00 O ATOM 0 H SER A 26 -1.726 -0.853 0.453 1.00 0.00 H new ATOM 0 HA SER A 26 -2.238 1.997 -0.333 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.318 2.459 1.951 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.766 0.853 2.380 1.00 0.00 H new ATOM 0 HG SER A 26 -0.134 2.341 2.923 1.00 0.00 H new ATOM 391 N ILE A 27 0.127 2.127 -1.106 1.00 0.00 N ATOM 392 CA ILE A 27 1.467 2.047 -1.754 1.00 0.00 C ATOM 393 C ILE A 27 2.337 3.233 -1.333 1.00 0.00 C ATOM 394 O ILE A 27 1.880 4.355 -1.262 1.00 0.00 O ATOM 395 CB ILE A 27 1.181 2.098 -3.253 1.00 0.00 C ATOM 396 CG1 ILE A 27 0.622 0.752 -3.708 1.00 0.00 C ATOM 397 CG2 ILE A 27 2.474 2.398 -4.013 1.00 0.00 C ATOM 398 CD1 ILE A 27 -0.433 0.982 -4.790 1.00 0.00 C ATOM 0 H ILE A 27 -0.392 2.987 -1.284 1.00 0.00 H new ATOM 0 HA ILE A 27 2.009 1.145 -1.470 1.00 0.00 H new ATOM 0 HB ILE A 27 0.453 2.883 -3.457 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.425 0.124 -4.094 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.183 0.223 -2.862 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.267 2.434 -5.083 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.872 3.359 -3.688 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.205 1.615 -3.811 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.834 0.023 -5.117 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.240 1.594 -4.387 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.022 1.493 -5.639 1.00 0.00 H new ATOM 410 N SER A 28 3.590 2.991 -1.059 1.00 0.00 N ATOM 411 CA SER A 28 4.494 4.102 -0.647 1.00 0.00 C ATOM 412 C SER A 28 5.406 4.497 -1.812 1.00 0.00 C ATOM 413 O SER A 28 5.168 4.136 -2.948 1.00 0.00 O ATOM 414 CB SER A 28 5.314 3.537 0.510 1.00 0.00 C ATOM 415 OG SER A 28 5.422 4.520 1.532 1.00 0.00 O ATOM 0 H SER A 28 4.027 2.070 -1.103 1.00 0.00 H new ATOM 0 HA SER A 28 3.945 4.997 -0.355 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.839 2.638 0.903 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.305 3.248 0.161 1.00 0.00 H new ATOM 0 HG SER A 28 5.947 4.160 2.278 1.00 0.00 H new ATOM 421 N SER A 29 6.447 5.235 -1.540 1.00 0.00 N ATOM 422 CA SER A 29 7.373 5.651 -2.633 1.00 0.00 C ATOM 423 C SER A 29 7.986 4.422 -3.309 1.00 0.00 C ATOM 424 O SER A 29 7.593 4.035 -4.392 1.00 0.00 O ATOM 425 CB SER A 29 8.455 6.477 -1.940 1.00 0.00 C ATOM 426 OG SER A 29 8.103 7.853 -1.996 1.00 0.00 O ATOM 0 H SER A 29 6.697 5.568 -0.609 1.00 0.00 H new ATOM 0 HA SER A 29 6.862 6.217 -3.412 1.00 0.00 H new ATOM 0 HB2 SER A 29 8.563 6.159 -0.903 1.00 0.00 H new ATOM 0 HB3 SER A 29 9.418 6.316 -2.425 1.00 0.00 H new ATOM 0 HG SER A 29 8.794 8.386 -1.551 1.00 0.00 H new ATOM 432 N SER A 30 8.950 3.806 -2.680 1.00 0.00 N ATOM 433 CA SER A 30 9.591 2.604 -3.288 1.00 0.00 C ATOM 434 C SER A 30 8.525 1.633 -3.802 1.00 0.00 C ATOM 435 O SER A 30 8.630 1.101 -4.889 1.00 0.00 O ATOM 436 CB SER A 30 10.393 1.968 -2.153 1.00 0.00 C ATOM 437 OG SER A 30 11.697 1.650 -2.621 1.00 0.00 O ATOM 0 H SER A 30 9.322 4.083 -1.771 1.00 0.00 H new ATOM 0 HA SER A 30 10.220 2.860 -4.140 1.00 0.00 H new ATOM 0 HB2 SER A 30 10.455 2.653 -1.307 1.00 0.00 H new ATOM 0 HB3 SER A 30 9.892 1.068 -1.798 1.00 0.00 H new ATOM 0 HG SER A 30 12.215 1.243 -1.895 1.00 0.00 H new ATOM 443 N GLU A 31 7.501 1.396 -3.028 1.00 0.00 N ATOM 444 CA GLU A 31 6.432 0.456 -3.473 1.00 0.00 C ATOM 445 C GLU A 31 6.093 0.693 -4.948 1.00 0.00 C ATOM 446 O GLU A 31 6.316 -0.155 -5.789 1.00 0.00 O ATOM 447 CB GLU A 31 5.228 0.779 -2.587 1.00 0.00 C ATOM 448 CG GLU A 31 5.527 0.361 -1.147 1.00 0.00 C ATOM 449 CD GLU A 31 4.247 -0.155 -0.486 1.00 0.00 C ATOM 450 OE1 GLU A 31 3.439 0.665 -0.083 1.00 0.00 O ATOM 451 OE2 GLU A 31 4.095 -1.362 -0.396 1.00 0.00 O ATOM 0 H GLU A 31 7.358 1.812 -2.108 1.00 0.00 H new ATOM 0 HA GLU A 31 6.737 -0.587 -3.384 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.008 1.846 -2.629 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.344 0.257 -2.952 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.293 -0.414 -1.134 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.922 1.208 -0.586 1.00 0.00 H new ATOM 458 N LEU A 32 5.557 1.839 -5.268 1.00 0.00 N ATOM 459 CA LEU A 32 5.206 2.124 -6.690 1.00 0.00 C ATOM 460 C LEU A 32 6.421 1.889 -7.592 1.00 0.00 C ATOM 461 O LEU A 32 6.310 1.329 -8.664 1.00 0.00 O ATOM 462 CB LEU A 32 4.799 3.599 -6.710 1.00 0.00 C ATOM 463 CG LEU A 32 3.958 3.881 -7.957 1.00 0.00 C ATOM 464 CD1 LEU A 32 4.730 3.448 -9.204 1.00 0.00 C ATOM 465 CD2 LEU A 32 2.646 3.097 -7.876 1.00 0.00 C ATOM 0 H LEU A 32 5.347 2.589 -4.609 1.00 0.00 H new ATOM 0 HA LEU A 32 4.409 1.477 -7.057 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.230 3.842 -5.812 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.686 4.232 -6.706 1.00 0.00 H new ATOM 0 HG LEU A 32 3.743 4.948 -8.014 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.130 3.649 -10.091 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.665 4.004 -9.264 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.946 2.381 -9.146 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.047 3.298 -8.764 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.863 2.030 -7.818 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.093 3.404 -6.988 1.00 0.00 H new ATOM 477 N ALA A 33 7.579 2.314 -7.167 1.00 0.00 N ATOM 478 CA ALA A 33 8.799 2.115 -8.001 1.00 0.00 C ATOM 479 C ALA A 33 9.124 0.623 -8.118 1.00 0.00 C ATOM 480 O ALA A 33 9.834 0.201 -9.009 1.00 0.00 O ATOM 481 CB ALA A 33 9.913 2.850 -7.256 1.00 0.00 C ATOM 0 H ALA A 33 7.734 2.790 -6.278 1.00 0.00 H new ATOM 0 HA ALA A 33 8.670 2.491 -9.016 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.847 2.750 -7.808 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.656 3.905 -7.166 1.00 0.00 H new ATOM 0 HB3 ALA A 33 10.031 2.419 -6.262 1.00 0.00 H new ATOM 487 N THR A 34 8.611 -0.179 -7.226 1.00 0.00 N ATOM 488 CA THR A 34 8.892 -1.642 -7.288 1.00 0.00 C ATOM 489 C THR A 34 7.947 -2.321 -8.282 1.00 0.00 C ATOM 490 O THR A 34 7.128 -3.140 -7.916 1.00 0.00 O ATOM 491 CB THR A 34 8.639 -2.156 -5.870 1.00 0.00 C ATOM 492 OG1 THR A 34 9.086 -1.189 -4.931 1.00 0.00 O ATOM 493 CG2 THR A 34 9.397 -3.466 -5.658 1.00 0.00 C ATOM 0 H THR A 34 8.009 0.115 -6.457 1.00 0.00 H new ATOM 0 HA THR A 34 9.908 -1.853 -7.622 1.00 0.00 H new ATOM 0 HB THR A 34 7.572 -2.331 -5.731 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.468 -0.429 -4.925 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.216 -3.832 -4.647 1.00 0.00 H new ATOM 0 HG22 THR A 34 9.052 -4.207 -6.379 1.00 0.00 H new ATOM 0 HG23 THR A 34 10.465 -3.295 -5.796 1.00 0.00 H new ATOM 501 N VAL A 35 8.056 -1.989 -9.540 1.00 0.00 N ATOM 502 CA VAL A 35 7.163 -2.617 -10.557 1.00 0.00 C ATOM 503 C VAL A 35 7.813 -2.551 -11.942 1.00 0.00 C ATOM 504 O VAL A 35 7.818 -3.514 -12.683 1.00 0.00 O ATOM 505 CB VAL A 35 5.880 -1.786 -10.525 1.00 0.00 C ATOM 506 CG1 VAL A 35 5.050 -2.074 -11.777 1.00 0.00 C ATOM 507 CG2 VAL A 35 5.067 -2.156 -9.282 1.00 0.00 C ATOM 0 H VAL A 35 8.724 -1.311 -9.908 1.00 0.00 H new ATOM 0 HA VAL A 35 6.971 -3.669 -10.346 1.00 0.00 H new ATOM 0 HB VAL A 35 6.135 -0.727 -10.495 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.136 -1.481 -11.752 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.627 -1.814 -12.664 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.794 -3.133 -11.808 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.152 -1.565 -9.257 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.814 -3.216 -9.315 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.656 -1.951 -8.388 1.00 0.00 H new ATOM 517 N MET A 36 8.361 -1.421 -12.298 1.00 0.00 N ATOM 518 CA MET A 36 9.009 -1.296 -13.636 1.00 0.00 C ATOM 519 C MET A 36 10.531 -1.230 -13.482 1.00 0.00 C ATOM 520 O MET A 36 11.270 -1.725 -14.310 1.00 0.00 O ATOM 521 CB MET A 36 8.472 0.014 -14.215 1.00 0.00 C ATOM 522 CG MET A 36 7.442 -0.293 -15.304 1.00 0.00 C ATOM 523 SD MET A 36 5.983 0.751 -15.066 1.00 0.00 S ATOM 524 CE MET A 36 4.752 -0.577 -15.067 1.00 0.00 C ATOM 0 H MET A 36 8.388 -0.580 -11.722 1.00 0.00 H new ATOM 0 HA MET A 36 8.791 -2.147 -14.282 1.00 0.00 H new ATOM 0 HB2 MET A 36 8.016 0.612 -13.426 1.00 0.00 H new ATOM 0 HB3 MET A 36 9.290 0.603 -14.629 1.00 0.00 H new ATOM 0 HG2 MET A 36 7.874 -0.114 -16.289 1.00 0.00 H new ATOM 0 HG3 MET A 36 7.160 -1.345 -15.266 1.00 0.00 H new ATOM 0 HE1 MET A 36 4.099 -0.467 -15.933 1.00 0.00 H new ATOM 0 HE2 MET A 36 5.257 -1.542 -15.114 1.00 0.00 H new ATOM 0 HE3 MET A 36 4.158 -0.523 -14.155 1.00 0.00 H new ATOM 534 N ARG A 37 11.005 -0.625 -12.428 1.00 0.00 N ATOM 535 CA ARG A 37 12.479 -0.528 -12.222 1.00 0.00 C ATOM 536 C ARG A 37 13.131 -1.900 -12.419 1.00 0.00 C ATOM 537 O ARG A 37 14.248 -2.005 -12.884 1.00 0.00 O ATOM 538 CB ARG A 37 12.648 -0.058 -10.777 1.00 0.00 C ATOM 539 CG ARG A 37 14.100 -0.256 -10.342 1.00 0.00 C ATOM 540 CD ARG A 37 14.215 -1.538 -9.512 1.00 0.00 C ATOM 541 NE ARG A 37 15.665 -1.665 -9.201 1.00 0.00 N ATOM 542 CZ ARG A 37 16.270 -0.732 -8.518 1.00 0.00 C ATOM 543 NH1 ARG A 37 15.697 -0.219 -7.462 1.00 0.00 N ATOM 544 NH2 ARG A 37 17.449 -0.311 -8.888 1.00 0.00 N ATOM 0 H ARG A 37 10.436 -0.193 -11.700 1.00 0.00 H new ATOM 0 HA ARG A 37 12.951 0.154 -12.930 1.00 0.00 H new ATOM 0 HB2 ARG A 37 12.372 0.993 -10.691 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.981 -0.618 -10.121 1.00 0.00 H new ATOM 0 HG2 ARG A 37 14.748 -0.317 -11.217 1.00 0.00 H new ATOM 0 HG3 ARG A 37 14.435 0.600 -9.757 1.00 0.00 H new ATOM 0 HD2 ARG A 37 13.620 -1.473 -8.601 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.853 -2.403 -10.069 1.00 0.00 H new ATOM 0 HE ARG A 37 16.186 -2.481 -9.522 1.00 0.00 H new ATOM 0 HH11 ARG A 37 14.776 -0.548 -7.171 1.00 0.00 H new ATOM 0 HH12 ARG A 37 16.170 0.510 -6.929 1.00 0.00 H new ATOM 0 HH21 ARG A 37 17.898 -0.711 -9.712 1.00 0.00 H new ATOM 0 HH22 ARG A 37 17.921 0.418 -8.353 1.00 0.00 H new ATOM 558 N SER A 38 12.442 -2.951 -12.070 1.00 0.00 N ATOM 559 CA SER A 38 13.024 -4.314 -12.237 1.00 0.00 C ATOM 560 C SER A 38 13.219 -4.628 -13.723 1.00 0.00 C ATOM 561 O SER A 38 14.305 -4.952 -14.160 1.00 0.00 O ATOM 562 CB SER A 38 11.995 -5.261 -11.619 1.00 0.00 C ATOM 563 OG SER A 38 12.369 -5.550 -10.278 1.00 0.00 O ATOM 0 H SER A 38 11.501 -2.926 -11.676 1.00 0.00 H new ATOM 0 HA SER A 38 14.001 -4.407 -11.763 1.00 0.00 H new ATOM 0 HB2 SER A 38 11.005 -4.806 -11.643 1.00 0.00 H new ATOM 0 HB3 SER A 38 11.937 -6.182 -12.199 1.00 0.00 H new ATOM 0 HG SER A 38 11.710 -6.156 -9.878 1.00 0.00 H new ATOM 569 N LEU A 39 12.175 -4.536 -14.501 1.00 0.00 N ATOM 570 CA LEU A 39 12.304 -4.830 -15.957 1.00 0.00 C ATOM 571 C LEU A 39 11.383 -3.912 -16.765 1.00 0.00 C ATOM 572 O LEU A 39 10.448 -4.358 -17.400 1.00 0.00 O ATOM 573 CB LEU A 39 11.872 -6.289 -16.106 1.00 0.00 C ATOM 574 CG LEU A 39 12.892 -7.038 -16.963 1.00 0.00 C ATOM 575 CD1 LEU A 39 13.054 -6.325 -18.306 1.00 0.00 C ATOM 576 CD2 LEU A 39 14.240 -7.070 -16.239 1.00 0.00 C ATOM 0 H LEU A 39 11.240 -4.270 -14.192 1.00 0.00 H new ATOM 0 HA LEU A 39 13.317 -4.666 -16.324 1.00 0.00 H new ATOM 0 HB2 LEU A 39 11.791 -6.757 -15.125 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.885 -6.342 -16.566 1.00 0.00 H new ATOM 0 HG LEU A 39 12.544 -8.057 -17.132 1.00 0.00 H new ATOM 0 HD11 LEU A 39 13.782 -6.860 -18.916 1.00 0.00 H new ATOM 0 HD12 LEU A 39 12.095 -6.300 -18.823 1.00 0.00 H new ATOM 0 HD13 LEU A 39 13.401 -5.306 -18.137 1.00 0.00 H new ATOM 0 HD21 LEU A 39 14.968 -7.604 -16.849 1.00 0.00 H new ATOM 0 HD22 LEU A 39 14.586 -6.050 -16.070 1.00 0.00 H new ATOM 0 HD23 LEU A 39 14.127 -7.578 -15.281 1.00 0.00 H new ATOM 588 N GLY A 40 11.640 -2.633 -16.749 1.00 0.00 N ATOM 589 CA GLY A 40 10.780 -1.690 -17.517 1.00 0.00 C ATOM 590 C GLY A 40 11.346 -0.273 -17.402 1.00 0.00 C ATOM 591 O GLY A 40 11.437 0.449 -18.375 1.00 0.00 O ATOM 0 H GLY A 40 12.409 -2.200 -16.237 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.736 -1.992 -18.564 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.760 -1.718 -17.134 1.00 0.00 H new ATOM 595 N LEU A 41 11.725 0.131 -16.220 1.00 0.00 N ATOM 596 CA LEU A 41 12.285 1.501 -16.045 1.00 0.00 C ATOM 597 C LEU A 41 12.548 1.777 -14.561 1.00 0.00 C ATOM 598 O LEU A 41 11.664 1.667 -13.734 1.00 0.00 O ATOM 599 CB LEU A 41 11.206 2.441 -16.588 1.00 0.00 C ATOM 600 CG LEU A 41 11.425 3.853 -16.037 1.00 0.00 C ATOM 601 CD1 LEU A 41 12.901 4.232 -16.167 1.00 0.00 C ATOM 602 CD2 LEU A 41 10.572 4.846 -16.831 1.00 0.00 C ATOM 0 H LEU A 41 11.671 -0.428 -15.369 1.00 0.00 H new ATOM 0 HA LEU A 41 13.235 1.632 -16.564 1.00 0.00 H new ATOM 0 HB2 LEU A 41 11.239 2.456 -17.677 1.00 0.00 H new ATOM 0 HB3 LEU A 41 10.218 2.079 -16.304 1.00 0.00 H new ATOM 0 HG LEU A 41 11.136 3.881 -14.986 1.00 0.00 H new ATOM 0 HD11 LEU A 41 13.054 5.237 -15.774 1.00 0.00 H new ATOM 0 HD12 LEU A 41 13.509 3.525 -15.603 1.00 0.00 H new ATOM 0 HD13 LEU A 41 13.193 4.204 -17.217 1.00 0.00 H new ATOM 0 HD21 LEU A 41 10.726 5.852 -16.440 1.00 0.00 H new ATOM 0 HD22 LEU A 41 10.862 4.816 -17.881 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.520 4.578 -16.737 1.00 0.00 H new ATOM 614 N SER A 42 13.753 2.140 -14.220 1.00 0.00 N ATOM 615 CA SER A 42 14.071 2.425 -12.792 1.00 0.00 C ATOM 616 C SER A 42 14.256 3.931 -12.583 1.00 0.00 C ATOM 617 O SER A 42 15.347 4.448 -12.711 1.00 0.00 O ATOM 618 CB SER A 42 15.378 1.682 -12.520 1.00 0.00 C ATOM 619 OG SER A 42 16.456 2.396 -13.112 1.00 0.00 O ATOM 0 H SER A 42 14.532 2.252 -14.869 1.00 0.00 H new ATOM 0 HA SER A 42 13.274 2.106 -12.120 1.00 0.00 H new ATOM 0 HB2 SER A 42 15.538 1.584 -11.446 1.00 0.00 H new ATOM 0 HB3 SER A 42 15.328 0.672 -12.928 1.00 0.00 H new ATOM 0 HG SER A 42 16.559 3.262 -12.666 1.00 0.00 H new ATOM 625 N PRO A 43 13.172 4.585 -12.267 1.00 0.00 N ATOM 626 CA PRO A 43 13.204 6.050 -12.037 1.00 0.00 C ATOM 627 C PRO A 43 13.866 6.365 -10.693 1.00 0.00 C ATOM 628 O PRO A 43 14.596 5.562 -10.147 1.00 0.00 O ATOM 629 CB PRO A 43 11.730 6.441 -12.020 1.00 0.00 C ATOM 630 CG PRO A 43 11.000 5.197 -11.626 1.00 0.00 C ATOM 631 CD PRO A 43 11.825 4.027 -12.096 1.00 0.00 C ATOM 0 HA PRO A 43 13.775 6.590 -12.792 1.00 0.00 H new ATOM 0 HB2 PRO A 43 11.545 7.248 -11.311 1.00 0.00 H new ATOM 0 HB3 PRO A 43 11.405 6.795 -12.998 1.00 0.00 H new ATOM 0 HG2 PRO A 43 10.860 5.159 -10.546 1.00 0.00 H new ATOM 0 HG3 PRO A 43 10.008 5.174 -12.077 1.00 0.00 H new ATOM 0 HD2 PRO A 43 11.819 3.216 -11.367 1.00 0.00 H new ATOM 0 HD3 PRO A 43 11.441 3.618 -13.031 1.00 0.00 H new ATOM 639 N SER A 44 13.618 7.528 -10.156 1.00 0.00 N ATOM 640 CA SER A 44 14.234 7.889 -8.847 1.00 0.00 C ATOM 641 C SER A 44 13.200 8.557 -7.938 1.00 0.00 C ATOM 642 O SER A 44 12.144 8.956 -8.380 1.00 0.00 O ATOM 643 CB SER A 44 15.358 8.865 -9.192 1.00 0.00 C ATOM 644 OG SER A 44 15.697 8.723 -10.566 1.00 0.00 O ATOM 0 H SER A 44 13.017 8.243 -10.566 1.00 0.00 H new ATOM 0 HA SER A 44 14.605 7.015 -8.312 1.00 0.00 H new ATOM 0 HB2 SER A 44 15.043 9.888 -8.987 1.00 0.00 H new ATOM 0 HB3 SER A 44 16.230 8.669 -8.568 1.00 0.00 H new ATOM 0 HG SER A 44 16.417 9.349 -10.792 1.00 0.00 H new ATOM 650 N GLU A 45 13.502 8.671 -6.668 1.00 0.00 N ATOM 651 CA GLU A 45 12.548 9.304 -5.706 1.00 0.00 C ATOM 652 C GLU A 45 11.767 10.436 -6.377 1.00 0.00 C ATOM 653 O GLU A 45 10.552 10.456 -6.356 1.00 0.00 O ATOM 654 CB GLU A 45 13.428 9.855 -4.584 1.00 0.00 C ATOM 655 CG GLU A 45 12.553 10.565 -3.549 1.00 0.00 C ATOM 656 CD GLU A 45 12.763 9.924 -2.177 1.00 0.00 C ATOM 657 OE1 GLU A 45 13.146 8.766 -2.137 1.00 0.00 O ATOM 658 OE2 GLU A 45 12.536 10.601 -1.187 1.00 0.00 O ATOM 0 H GLU A 45 14.377 8.349 -6.253 1.00 0.00 H new ATOM 0 HA GLU A 45 11.808 8.592 -5.340 1.00 0.00 H new ATOM 0 HB2 GLU A 45 13.983 9.044 -4.112 1.00 0.00 H new ATOM 0 HB3 GLU A 45 14.163 10.549 -4.992 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.805 11.625 -3.509 1.00 0.00 H new ATOM 0 HG3 GLU A 45 11.504 10.498 -3.837 1.00 0.00 H new ATOM 665 N ALA A 46 12.447 11.374 -6.980 1.00 0.00 N ATOM 666 CA ALA A 46 11.725 12.490 -7.656 1.00 0.00 C ATOM 667 C ALA A 46 10.545 11.926 -8.449 1.00 0.00 C ATOM 668 O ALA A 46 9.435 12.412 -8.367 1.00 0.00 O ATOM 669 CB ALA A 46 12.754 13.121 -8.594 1.00 0.00 C ATOM 0 H ALA A 46 13.465 11.416 -7.034 1.00 0.00 H new ATOM 0 HA ALA A 46 11.325 13.220 -6.952 1.00 0.00 H new ATOM 0 HB1 ALA A 46 12.296 13.953 -9.129 1.00 0.00 H new ATOM 0 HB2 ALA A 46 13.601 13.485 -8.013 1.00 0.00 H new ATOM 0 HB3 ALA A 46 13.099 12.375 -9.310 1.00 0.00 H new ATOM 675 N GLU A 47 10.779 10.889 -9.205 1.00 0.00 N ATOM 676 CA GLU A 47 9.677 10.271 -9.993 1.00 0.00 C ATOM 677 C GLU A 47 8.860 9.348 -9.081 1.00 0.00 C ATOM 678 O GLU A 47 7.657 9.471 -8.969 1.00 0.00 O ATOM 679 CB GLU A 47 10.388 9.476 -11.096 1.00 0.00 C ATOM 680 CG GLU A 47 9.511 8.309 -11.560 1.00 0.00 C ATOM 681 CD GLU A 47 8.099 8.817 -11.856 1.00 0.00 C ATOM 682 OE1 GLU A 47 7.981 9.800 -12.568 1.00 0.00 O ATOM 683 OE2 GLU A 47 7.159 8.214 -11.366 1.00 0.00 O ATOM 0 H GLU A 47 11.690 10.442 -9.311 1.00 0.00 H new ATOM 0 HA GLU A 47 8.983 11.000 -10.412 1.00 0.00 H new ATOM 0 HB2 GLU A 47 10.611 10.130 -11.939 1.00 0.00 H new ATOM 0 HB3 GLU A 47 11.341 9.099 -10.725 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.939 7.851 -12.452 1.00 0.00 H new ATOM 0 HG3 GLU A 47 9.477 7.537 -10.791 1.00 0.00 H new ATOM 690 N VAL A 48 9.515 8.435 -8.418 1.00 0.00 N ATOM 691 CA VAL A 48 8.793 7.510 -7.498 1.00 0.00 C ATOM 692 C VAL A 48 7.814 8.304 -6.636 1.00 0.00 C ATOM 693 O VAL A 48 6.611 8.176 -6.755 1.00 0.00 O ATOM 694 CB VAL A 48 9.888 6.901 -6.621 1.00 0.00 C ATOM 695 CG1 VAL A 48 9.297 5.798 -5.746 1.00 0.00 C ATOM 696 CG2 VAL A 48 10.983 6.312 -7.506 1.00 0.00 C ATOM 0 H VAL A 48 10.523 8.289 -8.474 1.00 0.00 H new ATOM 0 HA VAL A 48 8.221 6.751 -8.031 1.00 0.00 H new ATOM 0 HB VAL A 48 10.310 7.679 -5.985 1.00 0.00 H new ATOM 0 HG11 VAL A 48 10.082 5.368 -5.123 1.00 0.00 H new ATOM 0 HG12 VAL A 48 8.517 6.217 -5.110 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.869 5.021 -6.380 1.00 0.00 H new ATOM 0 HG21 VAL A 48 11.763 5.878 -6.880 1.00 0.00 H new ATOM 0 HG22 VAL A 48 10.558 5.538 -8.144 1.00 0.00 H new ATOM 0 HG23 VAL A 48 11.412 7.099 -8.127 1.00 0.00 H new ATOM 706 N ASN A 49 8.332 9.129 -5.773 1.00 0.00 N ATOM 707 CA ASN A 49 7.458 9.949 -4.894 1.00 0.00 C ATOM 708 C ASN A 49 6.474 10.761 -5.746 1.00 0.00 C ATOM 709 O ASN A 49 5.284 10.765 -5.503 1.00 0.00 O ATOM 710 CB ASN A 49 8.443 10.855 -4.145 1.00 0.00 C ATOM 711 CG ASN A 49 7.778 12.189 -3.784 1.00 0.00 C ATOM 712 OD1 ASN A 49 7.243 12.341 -2.704 1.00 0.00 O ATOM 713 ND2 ASN A 49 7.791 13.166 -4.649 1.00 0.00 N ATOM 0 H ASN A 49 9.333 9.271 -5.638 1.00 0.00 H new ATOM 0 HA ASN A 49 6.847 9.359 -4.211 1.00 0.00 H new ATOM 0 HB2 ASN A 49 8.788 10.357 -3.239 1.00 0.00 H new ATOM 0 HB3 ASN A 49 9.322 11.036 -4.763 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.352 14.057 -4.418 1.00 0.00 H new ATOM 0 HD22 ASN A 49 8.240 13.038 -5.556 1.00 0.00 H new ATOM 720 N ASP A 50 6.962 11.449 -6.742 1.00 0.00 N ATOM 721 CA ASP A 50 6.052 12.256 -7.606 1.00 0.00 C ATOM 722 C ASP A 50 4.820 11.431 -7.985 1.00 0.00 C ATOM 723 O ASP A 50 3.708 11.920 -7.981 1.00 0.00 O ATOM 724 CB ASP A 50 6.879 12.592 -8.849 1.00 0.00 C ATOM 725 CG ASP A 50 5.951 13.064 -9.969 1.00 0.00 C ATOM 726 OD1 ASP A 50 4.976 13.732 -9.663 1.00 0.00 O ATOM 727 OD2 ASP A 50 6.230 12.751 -11.115 1.00 0.00 O ATOM 0 H ASP A 50 7.949 11.488 -6.995 1.00 0.00 H new ATOM 0 HA ASP A 50 5.692 13.154 -7.104 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.607 13.368 -8.615 1.00 0.00 H new ATOM 0 HB3 ASP A 50 7.440 11.716 -9.173 1.00 0.00 H new ATOM 732 N LEU A 51 5.008 10.181 -8.311 1.00 0.00 N ATOM 733 CA LEU A 51 3.847 9.325 -8.688 1.00 0.00 C ATOM 734 C LEU A 51 2.914 9.147 -7.488 1.00 0.00 C ATOM 735 O LEU A 51 1.759 9.524 -7.526 1.00 0.00 O ATOM 736 CB LEU A 51 4.458 7.985 -9.098 1.00 0.00 C ATOM 737 CG LEU A 51 3.823 7.514 -10.407 1.00 0.00 C ATOM 738 CD1 LEU A 51 4.908 6.948 -11.326 1.00 0.00 C ATOM 739 CD2 LEU A 51 2.791 6.425 -10.109 1.00 0.00 C ATOM 0 H LEU A 51 5.915 9.716 -8.333 1.00 0.00 H new ATOM 0 HA LEU A 51 3.253 9.762 -9.491 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.536 8.087 -9.221 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.295 7.244 -8.315 1.00 0.00 H new ATOM 0 HG LEU A 51 3.334 8.356 -10.897 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.456 6.612 -12.259 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.645 7.722 -11.538 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.397 6.106 -10.836 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.338 6.088 -11.041 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.281 5.583 -9.619 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.018 6.826 -9.454 1.00 0.00 H new ATOM 751 N MET A 52 3.405 8.577 -6.422 1.00 0.00 N ATOM 752 CA MET A 52 2.544 8.377 -5.220 1.00 0.00 C ATOM 753 C MET A 52 1.848 9.689 -4.847 1.00 0.00 C ATOM 754 O MET A 52 0.655 9.727 -4.622 1.00 0.00 O ATOM 755 CB MET A 52 3.505 7.945 -4.112 1.00 0.00 C ATOM 756 CG MET A 52 2.816 8.085 -2.753 1.00 0.00 C ATOM 757 SD MET A 52 3.113 9.745 -2.094 1.00 0.00 S ATOM 758 CE MET A 52 4.843 9.494 -1.623 1.00 0.00 C ATOM 0 H MET A 52 4.364 8.241 -6.330 1.00 0.00 H new ATOM 0 HA MET A 52 1.761 7.638 -5.390 1.00 0.00 H new ATOM 0 HB2 MET A 52 3.816 6.912 -4.269 1.00 0.00 H new ATOM 0 HB3 MET A 52 4.406 8.557 -4.139 1.00 0.00 H new ATOM 0 HG2 MET A 52 1.745 7.909 -2.856 1.00 0.00 H new ATOM 0 HG3 MET A 52 3.197 7.334 -2.061 1.00 0.00 H new ATOM 0 HE1 MET A 52 5.138 10.255 -0.901 1.00 0.00 H new ATOM 0 HE2 MET A 52 4.959 8.506 -1.177 1.00 0.00 H new ATOM 0 HE3 MET A 52 5.476 9.569 -2.508 1.00 0.00 H new ATOM 768 N ASN A 53 2.585 10.764 -4.781 1.00 0.00 N ATOM 769 CA ASN A 53 1.966 12.072 -4.423 1.00 0.00 C ATOM 770 C ASN A 53 0.806 12.386 -5.371 1.00 0.00 C ATOM 771 O ASN A 53 -0.290 12.694 -4.946 1.00 0.00 O ATOM 772 CB ASN A 53 3.086 13.099 -4.589 1.00 0.00 C ATOM 773 CG ASN A 53 3.065 14.075 -3.412 1.00 0.00 C ATOM 774 OD1 ASN A 53 3.191 15.270 -3.595 1.00 0.00 O ATOM 775 ND2 ASN A 53 2.909 13.614 -2.201 1.00 0.00 N ATOM 0 H ASN A 53 3.589 10.793 -4.959 1.00 0.00 H new ATOM 0 HA ASN A 53 1.559 12.072 -3.412 1.00 0.00 H new ATOM 0 HB2 ASN A 53 4.051 12.595 -4.639 1.00 0.00 H new ATOM 0 HB3 ASN A 53 2.960 13.641 -5.526 1.00 0.00 H new ATOM 0 HD21 ASN A 53 2.893 14.256 -1.409 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.803 12.611 -2.047 1.00 0.00 H new ATOM 782 N GLU A 54 1.039 12.311 -6.653 1.00 0.00 N ATOM 783 CA GLU A 54 -0.050 12.606 -7.628 1.00 0.00 C ATOM 784 C GLU A 54 -1.343 11.901 -7.208 1.00 0.00 C ATOM 785 O GLU A 54 -2.348 12.532 -6.945 1.00 0.00 O ATOM 786 CB GLU A 54 0.451 12.054 -8.962 1.00 0.00 C ATOM 787 CG GLU A 54 0.418 13.160 -10.018 1.00 0.00 C ATOM 788 CD GLU A 54 1.719 13.965 -9.957 1.00 0.00 C ATOM 789 OE1 GLU A 54 2.217 14.164 -8.861 1.00 0.00 O ATOM 790 OE2 GLU A 54 2.192 14.368 -11.006 1.00 0.00 O ATOM 0 H GLU A 54 1.936 12.058 -7.068 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.273 13.671 -7.686 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.466 11.673 -8.851 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -0.171 11.217 -9.278 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.293 12.726 -11.010 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.436 13.815 -9.847 1.00 0.00 H new ATOM 797 N ILE A 55 -1.325 10.598 -7.142 1.00 0.00 N ATOM 798 CA ILE A 55 -2.554 9.855 -6.739 1.00 0.00 C ATOM 799 C ILE A 55 -2.851 10.087 -5.255 1.00 0.00 C ATOM 800 O ILE A 55 -3.940 9.831 -4.783 1.00 0.00 O ATOM 801 CB ILE A 55 -2.230 8.384 -6.997 1.00 0.00 C ATOM 802 CG1 ILE A 55 -1.746 8.215 -8.439 1.00 0.00 C ATOM 803 CG2 ILE A 55 -3.487 7.539 -6.780 1.00 0.00 C ATOM 804 CD1 ILE A 55 -0.578 7.228 -8.473 1.00 0.00 C ATOM 0 H ILE A 55 -0.514 10.016 -7.349 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.434 10.182 -7.293 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.449 8.058 -6.310 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.560 7.853 -9.067 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.434 9.178 -8.844 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.256 6.490 -6.964 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.834 7.660 -5.754 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -4.268 7.865 -7.468 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.233 7.108 -9.500 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.238 7.609 -7.859 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.905 6.264 -8.085 1.00 0.00 H new ATOM 816 N ASP A 56 -1.890 10.571 -4.516 1.00 0.00 N ATOM 817 CA ASP A 56 -2.120 10.819 -3.063 1.00 0.00 C ATOM 818 C ASP A 56 -3.262 11.820 -2.874 1.00 0.00 C ATOM 819 O ASP A 56 -3.042 12.992 -2.636 1.00 0.00 O ATOM 820 CB ASP A 56 -0.805 11.401 -2.547 1.00 0.00 C ATOM 821 CG ASP A 56 -0.477 10.793 -1.182 1.00 0.00 C ATOM 822 OD1 ASP A 56 -1.342 10.814 -0.323 1.00 0.00 O ATOM 823 OD2 ASP A 56 0.633 10.314 -1.020 1.00 0.00 O ATOM 0 H ASP A 56 -0.957 10.805 -4.854 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.400 9.912 -2.528 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.001 11.192 -3.253 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.883 12.485 -2.465 1.00 0.00 H new ATOM 828 N VAL A 57 -4.482 11.368 -2.978 1.00 0.00 N ATOM 829 CA VAL A 57 -5.638 12.294 -2.805 1.00 0.00 C ATOM 830 C VAL A 57 -5.564 12.985 -1.440 1.00 0.00 C ATOM 831 O VAL A 57 -5.954 14.126 -1.291 1.00 0.00 O ATOM 832 CB VAL A 57 -6.875 11.399 -2.886 1.00 0.00 C ATOM 833 CG1 VAL A 57 -6.983 10.800 -4.290 1.00 0.00 C ATOM 834 CG2 VAL A 57 -6.756 10.271 -1.861 1.00 0.00 C ATOM 0 H VAL A 57 -4.728 10.398 -3.175 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.653 13.082 -3.558 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.765 11.992 -2.674 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.865 10.162 -4.347 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.068 11.603 -5.022 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.093 10.208 -4.502 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.638 9.633 -1.918 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.865 9.679 -2.073 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -6.680 10.696 -0.860 1.00 0.00 H new ATOM 844 N ASP A 58 -5.067 12.304 -0.445 1.00 0.00 N ATOM 845 CA ASP A 58 -4.969 12.924 0.908 1.00 0.00 C ATOM 846 C ASP A 58 -3.533 13.379 1.180 1.00 0.00 C ATOM 847 O ASP A 58 -3.298 14.305 1.931 1.00 0.00 O ATOM 848 CB ASP A 58 -5.375 11.816 1.881 1.00 0.00 C ATOM 849 CG ASP A 58 -4.525 10.571 1.621 1.00 0.00 C ATOM 850 OD1 ASP A 58 -3.312 10.687 1.660 1.00 0.00 O ATOM 851 OD2 ASP A 58 -5.103 9.522 1.386 1.00 0.00 O ATOM 0 H ASP A 58 -4.724 11.345 -0.509 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.603 13.805 1.005 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.240 12.153 2.909 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.432 11.580 1.759 1.00 0.00 H new ATOM 856 N GLY A 59 -2.571 12.737 0.578 1.00 0.00 N ATOM 857 CA GLY A 59 -1.152 13.136 0.804 1.00 0.00 C ATOM 858 C GLY A 59 -0.619 12.443 2.060 1.00 0.00 C ATOM 859 O GLY A 59 -0.359 13.074 3.065 1.00 0.00 O ATOM 0 H GLY A 59 -2.705 11.953 -0.061 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.545 12.864 -0.059 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.081 14.218 0.915 1.00 0.00 H new ATOM 863 N ASN A 60 -0.451 11.150 2.010 1.00 0.00 N ATOM 864 CA ASN A 60 0.067 10.419 3.202 1.00 0.00 C ATOM 865 C ASN A 60 1.325 9.628 2.831 1.00 0.00 C ATOM 866 O ASN A 60 1.559 8.546 3.331 1.00 0.00 O ATOM 867 CB ASN A 60 -1.063 9.473 3.610 1.00 0.00 C ATOM 868 CG ASN A 60 -1.481 8.626 2.407 1.00 0.00 C ATOM 869 OD1 ASN A 60 -1.607 9.131 1.310 1.00 0.00 O ATOM 870 ND2 ASN A 60 -1.703 7.351 2.568 1.00 0.00 N ATOM 0 H ASN A 60 -0.650 10.568 1.196 1.00 0.00 H new ATOM 0 HA ASN A 60 0.344 11.093 4.012 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.735 8.828 4.425 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.915 10.045 3.979 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.983 6.778 1.772 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.597 6.927 3.490 1.00 0.00 H new ATOM 877 N HIS A 61 2.136 10.162 1.960 1.00 0.00 N ATOM 878 CA HIS A 61 3.381 9.443 1.558 1.00 0.00 C ATOM 879 C HIS A 61 3.031 8.113 0.885 1.00 0.00 C ATOM 880 O HIS A 61 3.879 7.269 0.675 1.00 0.00 O ATOM 881 CB HIS A 61 4.141 9.204 2.863 1.00 0.00 C ATOM 882 CG HIS A 61 4.150 10.470 3.675 1.00 0.00 C ATOM 883 ND1 HIS A 61 3.791 11.696 3.136 1.00 0.00 N ATOM 884 CD2 HIS A 61 4.472 10.716 4.987 1.00 0.00 C ATOM 885 CE1 HIS A 61 3.903 12.615 4.112 1.00 0.00 C ATOM 886 NE2 HIS A 61 4.314 12.072 5.261 1.00 0.00 N ATOM 0 H HIS A 61 1.992 11.065 1.508 1.00 0.00 H new ATOM 0 HA HIS A 61 3.974 10.012 0.842 1.00 0.00 H new ATOM 0 HB2 HIS A 61 3.671 8.400 3.428 1.00 0.00 H new ATOM 0 HB3 HIS A 61 5.162 8.889 2.649 1.00 0.00 H new ATOM 0 HD2 HIS A 61 4.798 9.971 5.698 1.00 0.00 H new ATOM 0 HE1 HIS A 61 3.687 13.665 3.982 1.00 0.00 H new ATOM 0 HE2 HIS A 61 4.477 12.548 6.148 1.00 0.00 H new ATOM 894 N GLN A 62 1.787 7.922 0.541 1.00 0.00 N ATOM 895 CA GLN A 62 1.380 6.649 -0.123 1.00 0.00 C ATOM 896 C GLN A 62 -0.053 6.763 -0.644 1.00 0.00 C ATOM 897 O GLN A 62 -0.768 7.691 -0.322 1.00 0.00 O ATOM 898 CB GLN A 62 1.472 5.579 0.967 1.00 0.00 C ATOM 899 CG GLN A 62 0.874 6.115 2.270 1.00 0.00 C ATOM 900 CD GLN A 62 -0.200 5.151 2.774 1.00 0.00 C ATOM 901 OE1 GLN A 62 -1.122 4.820 2.056 1.00 0.00 O ATOM 902 NE2 GLN A 62 -0.119 4.682 3.990 1.00 0.00 N ATOM 0 H GLN A 62 1.033 8.593 0.691 1.00 0.00 H new ATOM 0 HA GLN A 62 2.013 6.410 -0.978 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.940 4.681 0.654 1.00 0.00 H new ATOM 0 HB3 GLN A 62 2.512 5.294 1.123 1.00 0.00 H new ATOM 0 HG2 GLN A 62 1.656 6.230 3.021 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.443 7.102 2.105 1.00 0.00 H new ATOM 0 HE21 GLN A 62 0.655 4.960 4.593 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -0.830 4.038 4.337 1.00 0.00 H new ATOM 911 N ILE A 63 -0.480 5.832 -1.452 1.00 0.00 N ATOM 912 CA ILE A 63 -1.863 5.901 -1.993 1.00 0.00 C ATOM 913 C ILE A 63 -2.590 4.567 -1.796 1.00 0.00 C ATOM 914 O ILE A 63 -1.980 3.521 -1.706 1.00 0.00 O ATOM 915 CB ILE A 63 -1.692 6.197 -3.486 1.00 0.00 C ATOM 916 CG1 ILE A 63 -1.289 4.918 -4.225 1.00 0.00 C ATOM 917 CG2 ILE A 63 -0.611 7.262 -3.683 1.00 0.00 C ATOM 918 CD1 ILE A 63 -2.547 4.228 -4.760 1.00 0.00 C ATOM 0 H ILE A 63 0.069 5.029 -1.759 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.458 6.661 -1.487 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.637 6.563 -3.886 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.613 5.156 -5.046 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.751 4.250 -3.553 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.493 7.469 -4.747 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.902 8.176 -3.166 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.334 6.901 -3.277 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.266 3.316 -5.287 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.206 3.978 -3.929 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.066 4.898 -5.445 1.00 0.00 H new ATOM 930 N GLU A 64 -3.893 4.600 -1.750 1.00 0.00 N ATOM 931 CA GLU A 64 -4.669 3.340 -1.586 1.00 0.00 C ATOM 932 C GLU A 64 -5.251 2.934 -2.940 1.00 0.00 C ATOM 933 O GLU A 64 -5.185 3.680 -3.896 1.00 0.00 O ATOM 934 CB GLU A 64 -5.786 3.683 -0.598 1.00 0.00 C ATOM 935 CG GLU A 64 -5.197 4.445 0.592 1.00 0.00 C ATOM 936 CD GLU A 64 -6.331 4.958 1.481 1.00 0.00 C ATOM 937 OE1 GLU A 64 -7.478 4.777 1.107 1.00 0.00 O ATOM 938 OE2 GLU A 64 -6.033 5.520 2.521 1.00 0.00 O ATOM 0 H GLU A 64 -4.455 5.448 -1.819 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.061 2.510 -1.225 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.548 4.288 -1.090 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.275 2.771 -0.254 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.538 3.793 1.165 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.591 5.280 0.239 1.00 0.00 H new ATOM 945 N PHE A 65 -5.814 1.763 -3.044 1.00 0.00 N ATOM 946 CA PHE A 65 -6.381 1.345 -4.356 1.00 0.00 C ATOM 947 C PHE A 65 -7.281 2.447 -4.920 1.00 0.00 C ATOM 948 O PHE A 65 -6.917 3.140 -5.848 1.00 0.00 O ATOM 949 CB PHE A 65 -7.200 0.090 -4.078 1.00 0.00 C ATOM 950 CG PHE A 65 -7.948 -0.268 -5.335 1.00 0.00 C ATOM 951 CD1 PHE A 65 -7.237 -0.635 -6.483 1.00 0.00 C ATOM 952 CD2 PHE A 65 -9.345 -0.209 -5.365 1.00 0.00 C ATOM 953 CE1 PHE A 65 -7.923 -0.948 -7.660 1.00 0.00 C ATOM 954 CE2 PHE A 65 -10.032 -0.520 -6.543 1.00 0.00 C ATOM 955 CZ PHE A 65 -9.320 -0.890 -7.689 1.00 0.00 C ATOM 0 H PHE A 65 -5.906 1.085 -2.288 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.596 1.158 -5.089 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.549 -0.730 -3.776 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.896 0.264 -3.257 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.158 -0.676 -6.460 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -9.893 0.076 -4.479 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -7.375 -1.234 -8.546 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -11.111 -0.475 -6.568 1.00 0.00 H new ATOM 0 HZ PHE A 65 -9.850 -1.131 -8.598 1.00 0.00 H new ATOM 965 N SER A 66 -8.457 2.601 -4.368 1.00 0.00 N ATOM 966 CA SER A 66 -9.404 3.650 -4.860 1.00 0.00 C ATOM 967 C SER A 66 -8.644 4.900 -5.320 1.00 0.00 C ATOM 968 O SER A 66 -8.956 5.481 -6.340 1.00 0.00 O ATOM 969 CB SER A 66 -10.287 3.976 -3.658 1.00 0.00 C ATOM 970 OG SER A 66 -10.574 2.779 -2.947 1.00 0.00 O ATOM 0 H SER A 66 -8.806 2.041 -3.590 1.00 0.00 H new ATOM 0 HA SER A 66 -9.982 3.306 -5.718 1.00 0.00 H new ATOM 0 HB2 SER A 66 -9.783 4.689 -3.005 1.00 0.00 H new ATOM 0 HB3 SER A 66 -11.213 4.447 -3.989 1.00 0.00 H new ATOM 0 HG SER A 66 -11.139 2.985 -2.174 1.00 0.00 H new ATOM 976 N GLU A 67 -7.642 5.310 -4.589 1.00 0.00 N ATOM 977 CA GLU A 67 -6.868 6.512 -5.011 1.00 0.00 C ATOM 978 C GLU A 67 -6.154 6.206 -6.327 1.00 0.00 C ATOM 979 O GLU A 67 -6.166 6.994 -7.254 1.00 0.00 O ATOM 980 CB GLU A 67 -5.862 6.755 -3.884 1.00 0.00 C ATOM 981 CG GLU A 67 -6.612 6.935 -2.563 1.00 0.00 C ATOM 982 CD GLU A 67 -5.633 7.377 -1.474 1.00 0.00 C ATOM 983 OE1 GLU A 67 -4.494 6.944 -1.519 1.00 0.00 O ATOM 984 OE2 GLU A 67 -6.040 8.140 -0.612 1.00 0.00 O ATOM 0 H GLU A 67 -7.328 4.868 -3.725 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.494 7.389 -5.175 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.171 5.915 -3.811 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.265 7.641 -4.099 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.402 7.677 -2.680 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.093 6.000 -2.276 1.00 0.00 H new ATOM 991 N PHE A 68 -5.552 5.054 -6.422 1.00 0.00 N ATOM 992 CA PHE A 68 -4.858 4.671 -7.682 1.00 0.00 C ATOM 993 C PHE A 68 -5.858 4.733 -8.839 1.00 0.00 C ATOM 994 O PHE A 68 -5.518 5.087 -9.950 1.00 0.00 O ATOM 995 CB PHE A 68 -4.376 3.236 -7.431 1.00 0.00 C ATOM 996 CG PHE A 68 -4.250 2.478 -8.734 1.00 0.00 C ATOM 997 CD1 PHE A 68 -3.391 2.940 -9.739 1.00 0.00 C ATOM 998 CD2 PHE A 68 -4.984 1.301 -8.928 1.00 0.00 C ATOM 999 CE1 PHE A 68 -3.270 2.226 -10.937 1.00 0.00 C ATOM 1000 CE2 PHE A 68 -4.860 0.587 -10.125 1.00 0.00 C ATOM 1001 CZ PHE A 68 -4.003 1.048 -11.130 1.00 0.00 C ATOM 0 H PHE A 68 -5.511 4.358 -5.677 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.028 5.328 -7.944 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.413 3.255 -6.921 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.076 2.722 -6.772 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -2.823 3.846 -9.590 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.646 0.944 -8.153 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.610 2.584 -11.714 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.426 -0.321 -10.273 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.907 0.496 -12.053 1.00 0.00 H new ATOM 1011 N LEU A 69 -7.094 4.403 -8.575 1.00 0.00 N ATOM 1012 CA LEU A 69 -8.128 4.451 -9.646 1.00 0.00 C ATOM 1013 C LEU A 69 -8.414 5.906 -10.021 1.00 0.00 C ATOM 1014 O LEU A 69 -8.359 6.285 -11.174 1.00 0.00 O ATOM 1015 CB LEU A 69 -9.369 3.805 -9.028 1.00 0.00 C ATOM 1016 CG LEU A 69 -9.392 2.316 -9.373 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -9.713 2.141 -10.857 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -8.023 1.703 -9.073 1.00 0.00 C ATOM 0 H LEU A 69 -7.432 4.102 -7.661 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.813 3.937 -10.554 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.362 3.939 -7.946 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.270 4.290 -9.403 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.154 1.816 -8.775 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.729 1.079 -11.103 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.688 2.578 -11.072 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.951 2.640 -11.455 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.038 0.641 -9.319 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.261 2.203 -9.671 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.793 1.827 -8.015 1.00 0.00 H new ATOM 1030 N ALA A 70 -8.713 6.725 -9.051 1.00 0.00 N ATOM 1031 CA ALA A 70 -8.996 8.157 -9.344 1.00 0.00 C ATOM 1032 C ALA A 70 -7.966 8.696 -10.339 1.00 0.00 C ATOM 1033 O ALA A 70 -8.295 9.413 -11.263 1.00 0.00 O ATOM 1034 CB ALA A 70 -8.867 8.868 -7.997 1.00 0.00 C ATOM 0 H ALA A 70 -8.774 6.464 -8.067 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.980 8.307 -9.788 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -9.062 9.933 -8.127 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.589 8.451 -7.295 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.859 8.729 -7.607 1.00 0.00 H new ATOM 1040 N LEU A 71 -6.720 8.353 -10.158 1.00 0.00 N ATOM 1041 CA LEU A 71 -5.668 8.840 -11.094 1.00 0.00 C ATOM 1042 C LEU A 71 -5.579 7.918 -12.313 1.00 0.00 C ATOM 1043 O LEU A 71 -5.149 8.319 -13.376 1.00 0.00 O ATOM 1044 CB LEU A 71 -4.367 8.793 -10.290 1.00 0.00 C ATOM 1045 CG LEU A 71 -3.437 9.912 -10.758 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -3.284 10.949 -9.644 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -2.066 9.326 -11.098 1.00 0.00 C ATOM 0 H LEU A 71 -6.385 7.756 -9.402 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.879 9.842 -11.467 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.580 8.904 -9.227 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.882 7.825 -10.419 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.860 10.388 -11.643 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.621 11.747 -9.978 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.260 11.367 -9.400 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.862 10.473 -8.759 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.402 10.123 -11.432 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.644 8.850 -10.213 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.173 8.587 -11.892 1.00 0.00 H new ATOM 1059 N MET A 72 -5.984 6.685 -12.169 1.00 0.00 N ATOM 1060 CA MET A 72 -5.921 5.740 -13.321 1.00 0.00 C ATOM 1061 C MET A 72 -6.963 6.123 -14.375 1.00 0.00 C ATOM 1062 O MET A 72 -6.657 6.764 -15.361 1.00 0.00 O ATOM 1063 CB MET A 72 -6.240 4.367 -12.733 1.00 0.00 C ATOM 1064 CG MET A 72 -5.015 3.462 -12.868 1.00 0.00 C ATOM 1065 SD MET A 72 -4.541 3.345 -14.610 1.00 0.00 S ATOM 1066 CE MET A 72 -2.890 2.651 -14.350 1.00 0.00 C ATOM 0 H MET A 72 -6.355 6.291 -11.304 1.00 0.00 H new ATOM 0 HA MET A 72 -4.947 5.756 -13.811 1.00 0.00 H new ATOM 0 HB2 MET A 72 -6.521 4.464 -11.684 1.00 0.00 H new ATOM 0 HB3 MET A 72 -7.091 3.926 -13.251 1.00 0.00 H new ATOM 0 HG2 MET A 72 -4.188 3.861 -12.281 1.00 0.00 H new ATOM 0 HG3 MET A 72 -5.237 2.471 -12.473 1.00 0.00 H new ATOM 0 HE1 MET A 72 -2.405 2.494 -15.314 1.00 0.00 H new ATOM 0 HE2 MET A 72 -2.295 3.342 -13.753 1.00 0.00 H new ATOM 0 HE3 MET A 72 -2.974 1.698 -13.827 1.00 0.00 H new ATOM 1076 N SER A 73 -8.193 5.735 -14.173 1.00 0.00 N ATOM 1077 CA SER A 73 -9.255 6.076 -15.163 1.00 0.00 C ATOM 1078 C SER A 73 -9.145 7.547 -15.570 1.00 0.00 C ATOM 1079 O SER A 73 -8.493 8.336 -14.915 1.00 0.00 O ATOM 1080 CB SER A 73 -10.573 5.818 -14.434 1.00 0.00 C ATOM 1081 OG SER A 73 -10.477 6.310 -13.103 1.00 0.00 O ATOM 0 H SER A 73 -8.508 5.197 -13.366 1.00 0.00 H new ATOM 0 HA SER A 73 -9.173 5.487 -16.077 1.00 0.00 H new ATOM 0 HB2 SER A 73 -11.394 6.309 -14.957 1.00 0.00 H new ATOM 0 HB3 SER A 73 -10.794 4.751 -14.425 1.00 0.00 H new ATOM 0 HG SER A 73 -11.321 6.148 -12.633 1.00 0.00 H new ATOM 1087 N ARG A 74 -9.778 7.923 -16.648 1.00 0.00 N ATOM 1088 CA ARG A 74 -9.709 9.344 -17.096 1.00 0.00 C ATOM 1089 C ARG A 74 -10.822 9.632 -18.109 1.00 0.00 C ATOM 1090 O ARG A 74 -11.542 8.746 -18.525 1.00 0.00 O ATOM 1091 CB ARG A 74 -8.336 9.486 -17.753 1.00 0.00 C ATOM 1092 CG ARG A 74 -8.007 10.969 -17.932 1.00 0.00 C ATOM 1093 CD ARG A 74 -6.488 11.150 -18.000 1.00 0.00 C ATOM 1094 NE ARG A 74 -6.214 12.385 -17.214 1.00 0.00 N ATOM 1095 CZ ARG A 74 -5.893 13.491 -17.829 1.00 0.00 C ATOM 1096 NH1 ARG A 74 -4.807 13.546 -18.551 1.00 0.00 N ATOM 1097 NH2 ARG A 74 -6.659 14.543 -17.721 1.00 0.00 N ATOM 0 H ARG A 74 -10.340 7.309 -17.238 1.00 0.00 H new ATOM 0 HA ARG A 74 -9.840 10.045 -16.271 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -7.575 9.005 -17.138 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -8.330 8.982 -18.719 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -8.470 11.348 -18.843 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -8.416 11.546 -17.103 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -5.968 10.290 -17.578 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -6.148 11.254 -19.030 1.00 0.00 H new ATOM 0 HE ARG A 74 -6.277 12.367 -16.196 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -4.208 12.724 -18.635 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -4.557 14.411 -19.031 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -7.507 14.500 -17.156 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -6.409 15.407 -18.201 1.00 0.00 H new ATOM 1111 N GLN A 75 -10.968 10.866 -18.508 1.00 0.00 N ATOM 1112 CA GLN A 75 -12.033 11.210 -19.493 1.00 0.00 C ATOM 1113 C GLN A 75 -11.813 10.442 -20.799 1.00 0.00 C ATOM 1114 O GLN A 75 -11.253 9.364 -20.810 1.00 0.00 O ATOM 1115 CB GLN A 75 -11.888 12.715 -19.725 1.00 0.00 C ATOM 1116 CG GLN A 75 -10.523 13.005 -20.351 1.00 0.00 C ATOM 1117 CD GLN A 75 -10.230 14.504 -20.262 1.00 0.00 C ATOM 1118 OE1 GLN A 75 -10.479 15.241 -21.195 1.00 0.00 O ATOM 1119 NE2 GLN A 75 -9.705 14.990 -19.169 1.00 0.00 N ATOM 0 H GLN A 75 -10.396 11.651 -18.195 1.00 0.00 H new ATOM 0 HA GLN A 75 -13.028 10.947 -19.134 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -12.683 13.071 -20.380 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -11.988 13.251 -18.781 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -9.747 12.440 -19.835 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -10.512 12.683 -21.392 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -9.496 14.372 -18.385 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -9.504 15.988 -19.099 1.00 0.00 H new ATOM 1128 N LEU A 76 -12.251 10.989 -21.900 1.00 0.00 N ATOM 1129 CA LEU A 76 -12.068 10.288 -23.204 1.00 0.00 C ATOM 1130 C LEU A 76 -11.961 11.308 -24.341 1.00 0.00 C ATOM 1131 O LEU A 76 -12.898 11.521 -25.086 1.00 0.00 O ATOM 1132 CB LEU A 76 -13.319 9.427 -23.371 1.00 0.00 C ATOM 1133 CG LEU A 76 -12.923 8.047 -23.898 1.00 0.00 C ATOM 1134 CD1 LEU A 76 -12.622 7.117 -22.720 1.00 0.00 C ATOM 1135 CD2 LEU A 76 -14.074 7.467 -24.722 1.00 0.00 C ATOM 0 H LEU A 76 -12.727 11.890 -21.954 1.00 0.00 H new ATOM 0 HA LEU A 76 -11.157 9.690 -23.227 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -13.836 9.329 -22.416 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -14.013 9.906 -24.061 1.00 0.00 H new ATOM 0 HG LEU A 76 -12.036 8.139 -24.525 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -12.340 6.133 -23.096 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -11.803 7.529 -22.131 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -13.509 7.025 -22.093 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -13.793 6.483 -25.098 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -14.961 7.376 -24.095 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -14.290 8.128 -25.561 1.00 0.00 H new ATOM 1147 N LYS A 77 -10.828 11.938 -24.482 1.00 0.00 N ATOM 1148 CA LYS A 77 -10.663 12.943 -25.571 1.00 0.00 C ATOM 1149 C LYS A 77 -11.831 13.931 -25.561 1.00 0.00 C ATOM 1150 O LYS A 77 -11.737 14.924 -24.858 1.00 0.00 O ATOM 1151 CB LYS A 77 -10.661 12.127 -26.865 1.00 0.00 C ATOM 1152 CG LYS A 77 -9.376 11.300 -26.945 1.00 0.00 C ATOM 1153 CD LYS A 77 -9.674 9.958 -27.619 1.00 0.00 C ATOM 1154 CE LYS A 77 -9.156 8.819 -26.740 1.00 0.00 C ATOM 1155 NZ LYS A 77 -9.518 7.574 -27.471 1.00 0.00 N ATOM 1156 OXT LYS A 77 -12.802 13.679 -26.257 1.00 0.00 O ATOM 0 H LYS A 77 -10.009 11.801 -23.890 1.00 0.00 H new ATOM 0 HA LYS A 77 -9.751 13.530 -25.457 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.531 11.471 -26.895 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -10.733 12.791 -27.726 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -8.617 11.842 -27.509 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -8.974 11.136 -25.945 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -10.747 9.849 -27.778 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -9.200 9.919 -28.600 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -8.078 8.892 -26.594 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -9.614 8.844 -25.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -9.195 6.747 -26.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -10.550 7.529 -27.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -9.062 7.575 -28.406 1.00 0.00 H new TER 1170 LYS A 77 HETATM 1171 CA CA A 101 2.109 -1.165 1.572 1.00 0.00 CA HETATM 1172 CA CA A 102 -3.326 8.840 -0.445 1.00 0.00 CA