USER MOD reduce.3.24.130724 H: found=0, std=0, add=738, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 741 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 36 MET CE :methyl -155:sc= 0 (180deg=-0.538) USER MOD Set 1.2: A 42 ASN : amide:sc= -1.86! C(o=-1.9!,f=-8.9!) USER MOD Set 2.1: A 8 GLN :FLIP amide:sc= -0.45 F(o=-2.2,f=-0.79) USER MOD Set 2.2: A 72 MET CE :methyl 166:sc= -0.338 (180deg=-0.983) USER MOD Single : A 1 ALA N :NH3+ -173:sc= 0.5 (180deg=0.272!) USER MOD Single : A 3 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -147:sc= 0.691 (180deg=0.182) USER MOD Single : A 26 THR OG1 : rot 81:sc= -1.08 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.286 USER MOD Single : A 30 LYS NZ :NH3+ -161:sc= -0.0913 (180deg=-0.557) USER MOD Single : A 34 THR OG1 : rot 84:sc= 1.29 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc=-0.00873 K(o=-0.0087,f=-0.52) USER MOD Single : A 44 THR OG1 : rot 150:sc= -0.495 USER MOD Single : A 49 GLN : amide:sc= -0.183 K(o=-0.18,f=-3.4!) USER MOD Single : A 51 MET CE :methyl 180:sc= -0.328 (180deg=-0.328) USER MOD Single : A 53 ASN : amide:sc= -1.81 K(o=-1.8,f=-3.7!) USER MOD Single : A 60 ASN : amide:sc= -0.0823 K(o=-0.082,f=-1.5!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 94:sc= 1.26 USER MOD Single : A 71 MET CE :methyl 161:sc= -1.1 (180deg=-1.66!) USER MOD Single : A 75 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0422) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00129) USER MOD Single : B 46 THR OG1 : rot 180:sc= 0 USER MOD Single : B 51 SER OG : rot -31:sc= 0.264 USER MOD Single : B 53 GLN : amide:sc= -1.74 X(o=-1.7,f=-1.8) USER MOD Single : B 61 GLN : amide:sc= -0.242 K(o=-0.24,f=-0.95) USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 65 MET CE :methyl -133:sc= -0.19 (180deg=-1.25) USER MOD Single : B 67 SER OG : rot 180:sc= 0.00737 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -4.746 -12.001 -11.567 1.00 0.00 N ATOM 2 CA ALA A 1 -4.211 -11.788 -10.192 1.00 0.00 C ATOM 3 C ALA A 1 -5.183 -12.392 -9.190 1.00 0.00 C ATOM 4 O ALA A 1 -4.931 -12.405 -7.985 1.00 0.00 O ATOM 5 CB ALA A 1 -4.073 -10.286 -9.933 1.00 0.00 C ATOM 0 H1 ALA A 1 -4.037 -11.700 -12.266 1.00 0.00 H new ATOM 0 H2 ALA A 1 -4.960 -13.009 -11.704 1.00 0.00 H new ATOM 0 H3 ALA A 1 -5.614 -11.443 -11.692 1.00 0.00 H new ATOM 0 HA ALA A 1 -3.235 -12.263 -10.091 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -3.682 -10.124 -8.928 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -3.389 -9.852 -10.663 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -5.049 -9.810 -10.023 1.00 0.00 H new ATOM 13 N ASP A 2 -6.303 -12.870 -9.707 1.00 0.00 N ATOM 14 CA ASP A 2 -7.341 -13.458 -8.874 1.00 0.00 C ATOM 15 C ASP A 2 -6.817 -14.711 -8.167 1.00 0.00 C ATOM 16 O ASP A 2 -7.114 -14.937 -6.996 1.00 0.00 O ATOM 17 CB ASP A 2 -8.544 -13.812 -9.768 1.00 0.00 C ATOM 18 CG ASP A 2 -9.456 -12.596 -9.963 1.00 0.00 C ATOM 19 OD1 ASP A 2 -9.208 -11.578 -9.338 1.00 0.00 O ATOM 20 OD2 ASP A 2 -10.385 -12.701 -10.747 1.00 0.00 O ATOM 0 H ASP A 2 -6.518 -12.862 -10.704 1.00 0.00 H new ATOM 0 HA ASP A 2 -7.645 -12.744 -8.108 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -8.191 -14.166 -10.737 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -9.110 -14.628 -9.317 1.00 0.00 H new ATOM 25 N GLN A 3 -6.040 -15.519 -8.885 1.00 0.00 N ATOM 26 CA GLN A 3 -5.482 -16.744 -8.310 1.00 0.00 C ATOM 27 C GLN A 3 -4.212 -16.436 -7.515 1.00 0.00 C ATOM 28 O GLN A 3 -3.351 -15.685 -7.974 1.00 0.00 O ATOM 29 CB GLN A 3 -5.167 -17.742 -9.427 1.00 0.00 C ATOM 30 CG GLN A 3 -6.472 -18.207 -10.079 1.00 0.00 C ATOM 31 CD GLN A 3 -6.168 -19.143 -11.246 1.00 0.00 C ATOM 32 OE1 GLN A 3 -5.008 -19.484 -11.482 1.00 0.00 O ATOM 33 NE2 GLN A 3 -7.148 -19.582 -11.992 1.00 0.00 N ATOM 0 H GLN A 3 -5.783 -15.351 -9.858 1.00 0.00 H new ATOM 0 HA GLN A 3 -6.218 -17.178 -7.633 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -4.521 -17.278 -10.172 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -4.625 -18.597 -9.023 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -7.093 -18.719 -9.344 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -7.039 -17.345 -10.431 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -8.107 -19.297 -11.793 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -6.953 -20.209 -12.773 1.00 0.00 H new ATOM 42 N LEU A 4 -4.108 -17.011 -6.317 1.00 0.00 N ATOM 43 CA LEU A 4 -2.945 -16.781 -5.460 1.00 0.00 C ATOM 44 C LEU A 4 -1.726 -17.542 -5.983 1.00 0.00 C ATOM 45 O LEU A 4 -1.865 -18.508 -6.736 1.00 0.00 O ATOM 46 CB LEU A 4 -3.263 -17.218 -4.017 1.00 0.00 C ATOM 47 CG LEU A 4 -2.352 -16.473 -3.014 1.00 0.00 C ATOM 48 CD1 LEU A 4 -2.940 -15.089 -2.685 1.00 0.00 C ATOM 49 CD2 LEU A 4 -2.225 -17.290 -1.721 1.00 0.00 C ATOM 0 H LEU A 4 -4.810 -17.635 -5.920 1.00 0.00 H new ATOM 0 HA LEU A 4 -2.713 -15.716 -5.470 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -4.309 -17.012 -3.790 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -3.121 -18.294 -3.917 1.00 0.00 H new ATOM 0 HG LEU A 4 -1.368 -16.346 -3.465 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -2.288 -14.576 -1.978 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -3.019 -14.500 -3.599 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -3.930 -15.210 -2.245 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -1.582 -16.761 -1.018 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -3.212 -17.427 -1.279 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -1.791 -18.264 -1.947 1.00 0.00 H new ATOM 61 N THR A 5 -0.534 -17.103 -5.574 1.00 0.00 N ATOM 62 CA THR A 5 0.702 -17.750 -5.997 1.00 0.00 C ATOM 63 C THR A 5 1.898 -17.153 -5.245 1.00 0.00 C ATOM 64 O THR A 5 1.757 -16.175 -4.511 1.00 0.00 O ATOM 65 CB THR A 5 0.888 -17.581 -7.514 1.00 0.00 C ATOM 66 OG1 THR A 5 1.746 -18.604 -7.997 1.00 0.00 O ATOM 67 CG2 THR A 5 1.505 -16.214 -7.825 1.00 0.00 C ATOM 0 H THR A 5 -0.402 -16.305 -4.953 1.00 0.00 H new ATOM 0 HA THR A 5 0.642 -18.813 -5.765 1.00 0.00 H new ATOM 0 HB THR A 5 -0.085 -17.649 -8.001 1.00 0.00 H new ATOM 0 HG1 THR A 5 1.866 -18.501 -8.964 1.00 0.00 H new ATOM 0 HG21 THR A 5 1.631 -16.108 -8.903 1.00 0.00 H new ATOM 0 HG22 THR A 5 0.848 -15.426 -7.457 1.00 0.00 H new ATOM 0 HG23 THR A 5 2.476 -16.134 -7.337 1.00 0.00 H new ATOM 75 N GLU A 6 3.071 -17.748 -5.435 1.00 0.00 N ATOM 76 CA GLU A 6 4.276 -17.264 -4.773 1.00 0.00 C ATOM 77 C GLU A 6 4.429 -15.761 -4.995 1.00 0.00 C ATOM 78 O GLU A 6 4.563 -14.993 -4.049 1.00 0.00 O ATOM 79 CB GLU A 6 5.498 -18.007 -5.336 1.00 0.00 C ATOM 80 CG GLU A 6 6.753 -17.659 -4.531 1.00 0.00 C ATOM 81 CD GLU A 6 6.667 -18.278 -3.140 1.00 0.00 C ATOM 82 OE1 GLU A 6 5.910 -19.222 -2.979 1.00 0.00 O ATOM 83 OE2 GLU A 6 7.361 -17.801 -2.257 1.00 0.00 O ATOM 0 H GLU A 6 3.212 -18.559 -6.037 1.00 0.00 H new ATOM 0 HA GLU A 6 4.200 -17.451 -3.702 1.00 0.00 H new ATOM 0 HB2 GLU A 6 5.324 -19.083 -5.303 1.00 0.00 H new ATOM 0 HB3 GLU A 6 5.644 -17.739 -6.382 1.00 0.00 H new ATOM 0 HG2 GLU A 6 7.640 -18.026 -5.047 1.00 0.00 H new ATOM 0 HG3 GLU A 6 6.856 -16.577 -4.451 1.00 0.00 H new ATOM 90 N GLU A 7 4.429 -15.349 -6.249 1.00 0.00 N ATOM 91 CA GLU A 7 4.581 -13.944 -6.566 1.00 0.00 C ATOM 92 C GLU A 7 3.698 -13.103 -5.640 1.00 0.00 C ATOM 93 O GLU A 7 4.182 -12.184 -4.983 1.00 0.00 O ATOM 94 CB GLU A 7 4.186 -13.722 -8.030 1.00 0.00 C ATOM 95 CG GLU A 7 4.161 -12.237 -8.373 1.00 0.00 C ATOM 96 CD GLU A 7 5.558 -11.636 -8.255 1.00 0.00 C ATOM 97 OE1 GLU A 7 6.512 -12.394 -8.293 1.00 0.00 O ATOM 98 OE2 GLU A 7 5.652 -10.426 -8.137 1.00 0.00 O ATOM 0 H GLU A 7 4.326 -15.962 -7.058 1.00 0.00 H new ATOM 0 HA GLU A 7 5.617 -13.640 -6.421 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.891 -14.237 -8.682 1.00 0.00 H new ATOM 0 HB3 GLU A 7 3.204 -14.158 -8.215 1.00 0.00 H new ATOM 0 HG2 GLU A 7 3.784 -12.098 -9.386 1.00 0.00 H new ATOM 0 HG3 GLU A 7 3.477 -11.715 -7.704 1.00 0.00 H new ATOM 105 N GLN A 8 2.401 -13.389 -5.635 1.00 0.00 N ATOM 106 CA GLN A 8 1.448 -12.618 -4.845 1.00 0.00 C ATOM 107 C GLN A 8 1.933 -12.353 -3.420 1.00 0.00 C ATOM 108 O GLN A 8 2.047 -11.197 -3.011 1.00 0.00 O ATOM 109 CB GLN A 8 0.128 -13.387 -4.795 1.00 0.00 C ATOM 110 CG GLN A 8 -1.026 -12.435 -4.460 1.00 0.00 C ATOM 111 CD GLN A 8 -1.319 -11.519 -5.644 1.00 0.00 C ATOM 112 OE1 GLN A 8 -1.429 -10.231 -5.449 1.00 0.00 O flip ATOM 113 NE2 GLN A 8 -1.452 -11.989 -6.775 1.00 0.00 N flip ATOM 0 H GLN A 8 1.985 -14.151 -6.170 1.00 0.00 H new ATOM 0 HA GLN A 8 1.327 -11.646 -5.324 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -0.056 -13.870 -5.754 1.00 0.00 H new ATOM 0 HB3 GLN A 8 0.187 -14.177 -4.046 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -1.917 -13.009 -4.206 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -0.771 -11.838 -3.584 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -1.365 -12.995 -6.923 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -1.649 -11.373 -7.564 1.00 0.00 H new ATOM 122 N ILE A 9 2.190 -13.408 -2.654 1.00 0.00 N ATOM 123 CA ILE A 9 2.624 -13.209 -1.278 1.00 0.00 C ATOM 124 C ILE A 9 3.890 -12.353 -1.237 1.00 0.00 C ATOM 125 O ILE A 9 3.967 -11.382 -0.484 1.00 0.00 O ATOM 126 CB ILE A 9 2.845 -14.563 -0.591 1.00 0.00 C ATOM 127 CG1 ILE A 9 3.656 -15.478 -1.503 1.00 0.00 C ATOM 128 CG2 ILE A 9 1.494 -15.219 -0.308 1.00 0.00 C ATOM 129 CD1 ILE A 9 3.920 -16.802 -0.808 1.00 0.00 C ATOM 0 H ILE A 9 2.109 -14.380 -2.951 1.00 0.00 H new ATOM 0 HA ILE A 9 1.843 -12.677 -0.734 1.00 0.00 H new ATOM 0 HB ILE A 9 3.384 -14.404 0.343 1.00 0.00 H new ATOM 0 HG12 ILE A 9 3.116 -15.648 -2.434 1.00 0.00 H new ATOM 0 HG13 ILE A 9 4.600 -15.000 -1.765 1.00 0.00 H new ATOM 0 HG21 ILE A 9 1.652 -16.181 0.180 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.906 -14.573 0.344 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.960 -15.371 -1.246 1.00 0.00 H new ATOM 0 HD11 ILE A 9 4.500 -17.449 -1.466 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.479 -16.625 0.111 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.971 -17.283 -0.569 1.00 0.00 H new ATOM 141 N ALA A 10 4.875 -12.706 -2.044 1.00 0.00 N ATOM 142 CA ALA A 10 6.116 -11.954 -2.079 1.00 0.00 C ATOM 143 C ALA A 10 5.830 -10.502 -2.443 1.00 0.00 C ATOM 144 O ALA A 10 6.472 -9.584 -1.939 1.00 0.00 O ATOM 145 CB ALA A 10 7.056 -12.570 -3.118 1.00 0.00 C ATOM 0 H ALA A 10 4.840 -13.503 -2.680 1.00 0.00 H new ATOM 0 HA ALA A 10 6.587 -11.989 -1.097 1.00 0.00 H new ATOM 0 HB1 ALA A 10 7.988 -12.006 -3.145 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.266 -13.605 -2.850 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.584 -12.538 -4.100 1.00 0.00 H new ATOM 151 N GLU A 11 4.860 -10.312 -3.327 1.00 0.00 N ATOM 152 CA GLU A 11 4.484 -8.979 -3.774 1.00 0.00 C ATOM 153 C GLU A 11 3.965 -8.138 -2.609 1.00 0.00 C ATOM 154 O GLU A 11 4.345 -6.977 -2.455 1.00 0.00 O ATOM 155 CB GLU A 11 3.399 -9.095 -4.848 1.00 0.00 C ATOM 156 CG GLU A 11 3.292 -7.784 -5.621 1.00 0.00 C ATOM 157 CD GLU A 11 4.475 -7.643 -6.573 1.00 0.00 C ATOM 158 OE1 GLU A 11 5.239 -8.589 -6.685 1.00 0.00 O ATOM 159 OE2 GLU A 11 4.599 -6.592 -7.178 1.00 0.00 O ATOM 0 H GLU A 11 4.319 -11.066 -3.749 1.00 0.00 H new ATOM 0 HA GLU A 11 5.365 -8.487 -4.185 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.636 -9.911 -5.530 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.441 -9.334 -4.386 1.00 0.00 H new ATOM 0 HG2 GLU A 11 2.358 -7.758 -6.182 1.00 0.00 H new ATOM 0 HG3 GLU A 11 3.271 -6.944 -4.927 1.00 0.00 H new ATOM 166 N PHE A 12 3.098 -8.727 -1.789 1.00 0.00 N ATOM 167 CA PHE A 12 2.545 -8.019 -0.645 1.00 0.00 C ATOM 168 C PHE A 12 3.660 -7.625 0.330 1.00 0.00 C ATOM 169 O PHE A 12 3.684 -6.504 0.835 1.00 0.00 O ATOM 170 CB PHE A 12 1.462 -8.907 0.037 1.00 0.00 C ATOM 171 CG PHE A 12 1.826 -9.219 1.475 1.00 0.00 C ATOM 172 CD1 PHE A 12 1.781 -8.208 2.436 1.00 0.00 C ATOM 173 CD2 PHE A 12 2.224 -10.511 1.836 1.00 0.00 C ATOM 174 CE1 PHE A 12 2.129 -8.484 3.758 1.00 0.00 C ATOM 175 CE2 PHE A 12 2.576 -10.790 3.158 1.00 0.00 C ATOM 176 CZ PHE A 12 2.529 -9.778 4.122 1.00 0.00 C ATOM 0 H PHE A 12 2.767 -9.686 -1.897 1.00 0.00 H new ATOM 0 HA PHE A 12 2.069 -7.096 -0.977 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.499 -8.397 0.007 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.348 -9.837 -0.521 1.00 0.00 H new ATOM 0 HD1 PHE A 12 1.476 -7.211 2.156 1.00 0.00 H new ATOM 0 HD2 PHE A 12 2.259 -11.293 1.092 1.00 0.00 H new ATOM 0 HE1 PHE A 12 2.090 -7.701 4.501 1.00 0.00 H new ATOM 0 HE2 PHE A 12 2.884 -11.787 3.436 1.00 0.00 H new ATOM 0 HZ PHE A 12 2.800 -9.993 5.145 1.00 0.00 H new ATOM 186 N LYS A 13 4.570 -8.557 0.591 1.00 0.00 N ATOM 187 CA LYS A 13 5.666 -8.300 1.508 1.00 0.00 C ATOM 188 C LYS A 13 6.533 -7.158 0.985 1.00 0.00 C ATOM 189 O LYS A 13 6.868 -6.233 1.725 1.00 0.00 O ATOM 190 CB LYS A 13 6.496 -9.575 1.670 1.00 0.00 C ATOM 191 CG LYS A 13 7.619 -9.357 2.695 1.00 0.00 C ATOM 192 CD LYS A 13 8.793 -8.544 2.076 1.00 0.00 C ATOM 193 CE LYS A 13 10.122 -9.076 2.589 1.00 0.00 C ATOM 194 NZ LYS A 13 11.220 -8.188 2.113 1.00 0.00 N ATOM 0 H LYS A 13 4.568 -9.491 0.181 1.00 0.00 H new ATOM 0 HA LYS A 13 5.268 -8.007 2.479 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.855 -10.395 1.993 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.923 -9.863 0.709 1.00 0.00 H new ATOM 0 HG2 LYS A 13 7.225 -8.829 3.564 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.986 -10.321 3.047 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.760 -8.612 0.989 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.691 -7.489 2.332 1.00 0.00 H new ATOM 0 HE2 LYS A 13 10.116 -9.115 3.678 1.00 0.00 H new ATOM 0 HE3 LYS A 13 10.281 -10.094 2.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 12.132 -8.547 2.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 11.228 -8.172 1.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 11.067 -7.224 2.472 1.00 0.00 H new ATOM 208 N GLU A 14 6.879 -7.216 -0.297 1.00 0.00 N ATOM 209 CA GLU A 14 7.695 -6.169 -0.896 1.00 0.00 C ATOM 210 C GLU A 14 7.029 -4.810 -0.726 1.00 0.00 C ATOM 211 O GLU A 14 7.627 -3.882 -0.182 1.00 0.00 O ATOM 212 CB GLU A 14 7.894 -6.452 -2.385 1.00 0.00 C ATOM 213 CG GLU A 14 8.864 -7.623 -2.566 1.00 0.00 C ATOM 214 CD GLU A 14 8.967 -7.991 -4.045 1.00 0.00 C ATOM 215 OE1 GLU A 14 8.297 -7.357 -4.842 1.00 0.00 O ATOM 216 OE2 GLU A 14 9.713 -8.905 -4.357 1.00 0.00 O ATOM 0 H GLU A 14 6.611 -7.967 -0.933 1.00 0.00 H new ATOM 0 HA GLU A 14 8.662 -6.156 -0.393 1.00 0.00 H new ATOM 0 HB2 GLU A 14 6.937 -6.686 -2.851 1.00 0.00 H new ATOM 0 HB3 GLU A 14 8.284 -5.565 -2.884 1.00 0.00 H new ATOM 0 HG2 GLU A 14 9.847 -7.355 -2.180 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.520 -8.483 -1.992 1.00 0.00 H new ATOM 223 N ALA A 15 5.791 -4.695 -1.192 1.00 0.00 N ATOM 224 CA ALA A 15 5.062 -3.438 -1.086 1.00 0.00 C ATOM 225 C ALA A 15 4.993 -2.984 0.368 1.00 0.00 C ATOM 226 O ALA A 15 5.218 -1.811 0.679 1.00 0.00 O ATOM 227 CB ALA A 15 3.651 -3.616 -1.652 1.00 0.00 C ATOM 0 H ALA A 15 5.275 -5.450 -1.643 1.00 0.00 H new ATOM 0 HA ALA A 15 5.586 -2.673 -1.660 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.106 -2.676 -1.573 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.714 -3.912 -2.699 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.127 -4.388 -1.088 1.00 0.00 H new ATOM 233 N PHE A 16 4.697 -3.923 1.257 1.00 0.00 N ATOM 234 CA PHE A 16 4.616 -3.614 2.677 1.00 0.00 C ATOM 235 C PHE A 16 5.935 -3.026 3.182 1.00 0.00 C ATOM 236 O PHE A 16 5.954 -1.984 3.837 1.00 0.00 O ATOM 237 CB PHE A 16 4.262 -4.911 3.442 1.00 0.00 C ATOM 238 CG PHE A 16 4.949 -4.952 4.793 1.00 0.00 C ATOM 239 CD1 PHE A 16 4.528 -4.114 5.832 1.00 0.00 C ATOM 240 CD2 PHE A 16 6.038 -5.814 4.984 1.00 0.00 C ATOM 241 CE1 PHE A 16 5.196 -4.144 7.061 1.00 0.00 C ATOM 242 CE2 PHE A 16 6.705 -5.838 6.206 1.00 0.00 C ATOM 243 CZ PHE A 16 6.285 -5.005 7.243 1.00 0.00 C ATOM 0 H PHE A 16 4.510 -4.898 1.022 1.00 0.00 H new ATOM 0 HA PHE A 16 3.842 -2.865 2.847 1.00 0.00 H new ATOM 0 HB2 PHE A 16 3.182 -4.974 3.577 1.00 0.00 H new ATOM 0 HB3 PHE A 16 4.560 -5.778 2.852 1.00 0.00 H new ATOM 0 HD1 PHE A 16 3.691 -3.447 5.686 1.00 0.00 H new ATOM 0 HD2 PHE A 16 6.360 -6.461 4.181 1.00 0.00 H new ATOM 0 HE1 PHE A 16 4.872 -3.504 7.868 1.00 0.00 H new ATOM 0 HE2 PHE A 16 7.546 -6.500 6.351 1.00 0.00 H new ATOM 0 HZ PHE A 16 6.802 -5.024 8.191 1.00 0.00 H new ATOM 253 N SER A 17 7.025 -3.711 2.884 1.00 0.00 N ATOM 254 CA SER A 17 8.339 -3.268 3.320 1.00 0.00 C ATOM 255 C SER A 17 8.631 -1.859 2.823 1.00 0.00 C ATOM 256 O SER A 17 9.274 -1.070 3.515 1.00 0.00 O ATOM 257 CB SER A 17 9.411 -4.222 2.792 1.00 0.00 C ATOM 258 OG SER A 17 10.685 -3.599 2.899 1.00 0.00 O ATOM 0 H SER A 17 7.027 -4.575 2.342 1.00 0.00 H new ATOM 0 HA SER A 17 8.351 -3.264 4.410 1.00 0.00 H new ATOM 0 HB2 SER A 17 9.399 -5.152 3.360 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.205 -4.480 1.753 1.00 0.00 H new ATOM 0 HG SER A 17 11.376 -4.207 2.563 1.00 0.00 H new ATOM 264 N LEU A 18 8.168 -1.543 1.618 1.00 0.00 N ATOM 265 CA LEU A 18 8.407 -0.214 1.056 1.00 0.00 C ATOM 266 C LEU A 18 7.688 0.868 1.856 1.00 0.00 C ATOM 267 O LEU A 18 8.252 1.930 2.119 1.00 0.00 O ATOM 268 CB LEU A 18 7.942 -0.160 -0.405 1.00 0.00 C ATOM 269 CG LEU A 18 8.848 -1.038 -1.285 1.00 0.00 C ATOM 270 CD1 LEU A 18 8.268 -1.095 -2.703 1.00 0.00 C ATOM 271 CD2 LEU A 18 10.282 -0.463 -1.333 1.00 0.00 C ATOM 0 H LEU A 18 7.635 -2.174 1.020 1.00 0.00 H new ATOM 0 HA LEU A 18 9.480 -0.026 1.106 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.910 -0.502 -0.478 1.00 0.00 H new ATOM 0 HB3 LEU A 18 7.963 0.869 -0.763 1.00 0.00 H new ATOM 0 HG LEU A 18 8.892 -2.041 -0.860 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.906 -1.716 -3.332 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.266 -1.522 -2.669 1.00 0.00 H new ATOM 0 HD13 LEU A 18 8.220 -0.088 -3.117 1.00 0.00 H new ATOM 0 HD21 LEU A 18 10.908 -1.098 -1.960 1.00 0.00 H new ATOM 0 HD22 LEU A 18 10.256 0.545 -1.748 1.00 0.00 H new ATOM 0 HD23 LEU A 18 10.695 -0.430 -0.325 1.00 0.00 H new ATOM 283 N PHE A 19 6.440 0.605 2.226 1.00 0.00 N ATOM 284 CA PHE A 19 5.664 1.587 2.977 1.00 0.00 C ATOM 285 C PHE A 19 6.204 1.771 4.391 1.00 0.00 C ATOM 286 O PHE A 19 6.423 2.894 4.827 1.00 0.00 O ATOM 287 CB PHE A 19 4.207 1.153 3.044 1.00 0.00 C ATOM 288 CG PHE A 19 3.613 1.136 1.654 1.00 0.00 C ATOM 289 CD1 PHE A 19 3.508 2.322 0.914 1.00 0.00 C ATOM 290 CD2 PHE A 19 3.167 -0.070 1.104 1.00 0.00 C ATOM 291 CE1 PHE A 19 2.959 2.296 -0.373 1.00 0.00 C ATOM 292 CE2 PHE A 19 2.622 -0.096 -0.174 1.00 0.00 C ATOM 293 CZ PHE A 19 2.516 1.085 -0.919 1.00 0.00 C ATOM 0 H PHE A 19 5.949 -0.266 2.023 1.00 0.00 H new ATOM 0 HA PHE A 19 5.746 2.541 2.456 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.133 0.162 3.493 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.644 1.835 3.682 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.850 3.255 1.337 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.246 -0.984 1.674 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.877 3.209 -0.944 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.279 -1.030 -0.594 1.00 0.00 H new ATOM 0 HZ PHE A 19 2.093 1.062 -1.913 1.00 0.00 H new ATOM 303 N ASP A 20 6.406 0.674 5.110 1.00 0.00 N ATOM 304 CA ASP A 20 6.912 0.764 6.476 1.00 0.00 C ATOM 305 C ASP A 20 8.284 1.443 6.501 1.00 0.00 C ATOM 306 O ASP A 20 9.312 0.776 6.609 1.00 0.00 O ATOM 307 CB ASP A 20 7.027 -0.640 7.075 1.00 0.00 C ATOM 308 CG ASP A 20 7.175 -0.561 8.592 1.00 0.00 C ATOM 309 OD1 ASP A 20 6.840 0.470 9.149 1.00 0.00 O ATOM 310 OD2 ASP A 20 7.619 -1.537 9.172 1.00 0.00 O ATOM 0 H ASP A 20 6.231 -0.275 4.778 1.00 0.00 H new ATOM 0 HA ASP A 20 6.216 1.361 7.065 1.00 0.00 H new ATOM 0 HB2 ASP A 20 6.143 -1.225 6.819 1.00 0.00 H new ATOM 0 HB3 ASP A 20 7.886 -1.156 6.646 1.00 0.00 H new ATOM 315 N LYS A 21 8.291 2.774 6.391 1.00 0.00 N ATOM 316 CA LYS A 21 9.557 3.512 6.396 1.00 0.00 C ATOM 317 C LYS A 21 10.258 3.354 7.738 1.00 0.00 C ATOM 318 O LYS A 21 11.431 2.984 7.794 1.00 0.00 O ATOM 319 CB LYS A 21 9.321 5.004 6.115 1.00 0.00 C ATOM 320 CG LYS A 21 8.250 5.200 5.033 1.00 0.00 C ATOM 321 CD LYS A 21 8.555 4.360 3.781 1.00 0.00 C ATOM 322 CE LYS A 21 9.892 4.799 3.174 1.00 0.00 C ATOM 323 NZ LYS A 21 10.000 4.280 1.783 1.00 0.00 N ATOM 0 H LYS A 21 7.455 3.352 6.299 1.00 0.00 H new ATOM 0 HA LYS A 21 10.188 3.100 5.608 1.00 0.00 H new ATOM 0 HB2 LYS A 21 9.012 5.505 7.032 1.00 0.00 H new ATOM 0 HB3 LYS A 21 10.254 5.469 5.796 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.274 4.922 5.431 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.194 6.254 4.761 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.594 3.302 4.042 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.756 4.479 3.049 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.964 5.887 3.174 1.00 0.00 H new ATOM 0 HE3 LYS A 21 10.718 4.425 3.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 10.995 4.065 1.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.431 3.415 1.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.650 4.998 1.117 1.00 0.00 H new ATOM 337 N ASP A 22 9.546 3.655 8.816 1.00 0.00 N ATOM 338 CA ASP A 22 10.133 3.558 10.143 1.00 0.00 C ATOM 339 C ASP A 22 10.544 2.121 10.425 1.00 0.00 C ATOM 340 O ASP A 22 11.349 1.860 11.319 1.00 0.00 O ATOM 341 CB ASP A 22 9.117 4.026 11.186 1.00 0.00 C ATOM 342 CG ASP A 22 7.935 3.062 11.221 1.00 0.00 C ATOM 343 OD1 ASP A 22 7.913 2.158 10.403 1.00 0.00 O ATOM 344 OD2 ASP A 22 7.066 3.245 12.058 1.00 0.00 O ATOM 0 H ASP A 22 8.574 3.964 8.798 1.00 0.00 H new ATOM 0 HA ASP A 22 11.018 4.193 10.193 1.00 0.00 H new ATOM 0 HB2 ASP A 22 9.587 4.076 12.168 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.772 5.032 10.946 1.00 0.00 H new ATOM 349 N GLY A 23 10.004 1.195 9.637 1.00 0.00 N ATOM 350 CA GLY A 23 10.338 -0.213 9.788 1.00 0.00 C ATOM 351 C GLY A 23 9.920 -0.755 11.151 1.00 0.00 C ATOM 352 O GLY A 23 10.662 -1.515 11.771 1.00 0.00 O ATOM 0 H GLY A 23 9.337 1.395 8.892 1.00 0.00 H new ATOM 0 HA2 GLY A 23 9.848 -0.788 9.003 1.00 0.00 H new ATOM 0 HA3 GLY A 23 11.412 -0.347 9.658 1.00 0.00 H new ATOM 356 N ASP A 24 8.731 -0.369 11.619 1.00 0.00 N ATOM 357 CA ASP A 24 8.248 -0.844 12.920 1.00 0.00 C ATOM 358 C ASP A 24 7.396 -2.107 12.760 1.00 0.00 C ATOM 359 O ASP A 24 6.977 -2.709 13.748 1.00 0.00 O ATOM 360 CB ASP A 24 7.438 0.256 13.618 1.00 0.00 C ATOM 361 CG ASP A 24 6.059 0.398 12.983 1.00 0.00 C ATOM 362 OD1 ASP A 24 5.912 0.015 11.835 1.00 0.00 O ATOM 363 OD2 ASP A 24 5.171 0.888 13.659 1.00 0.00 O ATOM 0 H ASP A 24 8.094 0.259 11.129 1.00 0.00 H new ATOM 0 HA ASP A 24 9.113 -1.092 13.535 1.00 0.00 H new ATOM 0 HB2 ASP A 24 7.333 0.020 14.677 1.00 0.00 H new ATOM 0 HB3 ASP A 24 7.972 1.204 13.554 1.00 0.00 H new ATOM 368 N GLY A 25 7.144 -2.499 11.510 1.00 0.00 N ATOM 369 CA GLY A 25 6.342 -3.693 11.221 1.00 0.00 C ATOM 370 C GLY A 25 4.910 -3.318 10.846 1.00 0.00 C ATOM 371 O GLY A 25 4.080 -4.189 10.589 1.00 0.00 O ATOM 0 H GLY A 25 7.482 -2.009 10.682 1.00 0.00 H new ATOM 0 HA2 GLY A 25 6.800 -4.253 10.406 1.00 0.00 H new ATOM 0 HA3 GLY A 25 6.333 -4.348 12.092 1.00 0.00 H new ATOM 375 N THR A 26 4.628 -2.017 10.820 1.00 0.00 N ATOM 376 CA THR A 26 3.294 -1.527 10.476 1.00 0.00 C ATOM 377 C THR A 26 3.403 -0.287 9.599 1.00 0.00 C ATOM 378 O THR A 26 4.441 0.375 9.574 1.00 0.00 O ATOM 379 CB THR A 26 2.520 -1.189 11.759 1.00 0.00 C ATOM 380 OG1 THR A 26 3.402 -0.581 12.692 1.00 0.00 O ATOM 381 CG2 THR A 26 1.924 -2.462 12.365 1.00 0.00 C ATOM 0 H THR A 26 5.304 -1.284 11.033 1.00 0.00 H new ATOM 0 HA THR A 26 2.761 -2.303 9.927 1.00 0.00 H new ATOM 0 HB THR A 26 1.709 -0.501 11.519 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.515 0.366 12.466 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.377 -2.211 13.274 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.244 -2.922 11.648 1.00 0.00 H new ATOM 0 HG23 THR A 26 2.726 -3.161 12.605 1.00 0.00 H new ATOM 389 N ILE A 27 2.318 0.033 8.891 1.00 0.00 N ATOM 390 CA ILE A 27 2.294 1.210 8.026 1.00 0.00 C ATOM 391 C ILE A 27 1.418 2.280 8.659 1.00 0.00 C ATOM 392 O ILE A 27 0.395 1.967 9.265 1.00 0.00 O ATOM 393 CB ILE A 27 1.765 0.848 6.642 1.00 0.00 C ATOM 394 CG1 ILE A 27 2.733 -0.127 5.971 1.00 0.00 C ATOM 395 CG2 ILE A 27 1.641 2.119 5.795 1.00 0.00 C ATOM 396 CD1 ILE A 27 2.072 -0.726 4.722 1.00 0.00 C ATOM 0 H ILE A 27 1.451 -0.504 8.900 1.00 0.00 H new ATOM 0 HA ILE A 27 3.309 1.590 7.913 1.00 0.00 H new ATOM 0 HB ILE A 27 0.785 0.380 6.734 1.00 0.00 H new ATOM 0 HG12 ILE A 27 3.653 0.389 5.697 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.007 -0.920 6.666 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.263 1.861 4.806 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.952 2.812 6.278 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.620 2.589 5.698 1.00 0.00 H new ATOM 0 HD11 ILE A 27 2.762 -1.421 4.243 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.164 -1.256 5.010 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.820 0.073 4.025 1.00 0.00 H new ATOM 408 N THR A 28 1.830 3.541 8.534 1.00 0.00 N ATOM 409 CA THR A 28 1.078 4.655 9.121 1.00 0.00 C ATOM 410 C THR A 28 0.742 5.702 8.065 1.00 0.00 C ATOM 411 O THR A 28 1.311 5.711 6.974 1.00 0.00 O ATOM 412 CB THR A 28 1.904 5.299 10.237 1.00 0.00 C ATOM 413 OG1 THR A 28 2.160 4.333 11.248 1.00 0.00 O ATOM 414 CG2 THR A 28 1.135 6.476 10.841 1.00 0.00 C ATOM 0 H THR A 28 2.675 3.818 8.035 1.00 0.00 H new ATOM 0 HA THR A 28 0.145 4.265 9.529 1.00 0.00 H new ATOM 0 HB THR A 28 2.846 5.661 9.825 1.00 0.00 H new ATOM 0 HG1 THR A 28 2.690 4.741 11.964 1.00 0.00 H new ATOM 0 HG21 THR A 28 1.729 6.930 11.635 1.00 0.00 H new ATOM 0 HG22 THR A 28 0.937 7.217 10.067 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.190 6.121 11.253 1.00 0.00 H new ATOM 422 N THR A 29 -0.203 6.571 8.402 1.00 0.00 N ATOM 423 CA THR A 29 -0.640 7.615 7.486 1.00 0.00 C ATOM 424 C THR A 29 0.546 8.455 7.027 1.00 0.00 C ATOM 425 O THR A 29 0.689 8.756 5.842 1.00 0.00 O ATOM 426 CB THR A 29 -1.649 8.530 8.187 1.00 0.00 C ATOM 427 OG1 THR A 29 -0.986 9.267 9.204 1.00 0.00 O ATOM 428 CG2 THR A 29 -2.776 7.701 8.813 1.00 0.00 C ATOM 0 H THR A 29 -0.681 6.573 9.303 1.00 0.00 H new ATOM 0 HA THR A 29 -1.102 7.140 6.621 1.00 0.00 H new ATOM 0 HB THR A 29 -2.079 9.212 7.453 1.00 0.00 H new ATOM 0 HG1 THR A 29 -1.628 9.855 9.654 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.485 8.365 9.307 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.289 7.138 8.034 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.356 7.010 9.544 1.00 0.00 H new ATOM 436 N LYS A 30 1.391 8.829 7.979 1.00 0.00 N ATOM 437 CA LYS A 30 2.567 9.637 7.678 1.00 0.00 C ATOM 438 C LYS A 30 3.556 8.856 6.819 1.00 0.00 C ATOM 439 O LYS A 30 4.125 9.394 5.869 1.00 0.00 O ATOM 440 CB LYS A 30 3.236 10.085 8.978 1.00 0.00 C ATOM 441 CG LYS A 30 2.321 11.079 9.701 1.00 0.00 C ATOM 442 CD LYS A 30 2.967 11.507 11.020 1.00 0.00 C ATOM 443 CE LYS A 30 2.014 12.432 11.782 1.00 0.00 C ATOM 444 NZ LYS A 30 1.703 13.626 10.947 1.00 0.00 N ATOM 0 H LYS A 30 1.285 8.587 8.964 1.00 0.00 H new ATOM 0 HA LYS A 30 2.249 10.516 7.117 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.432 9.223 9.616 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.199 10.549 8.764 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.145 11.951 9.071 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.350 10.622 9.892 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.199 10.630 11.624 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.909 12.019 10.826 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.096 11.900 12.030 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.467 12.742 12.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 1.337 14.388 11.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.568 13.950 10.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 0.987 13.375 10.236 1.00 0.00 H new ATOM 458 N GLU A 31 3.753 7.583 7.151 1.00 0.00 N ATOM 459 CA GLU A 31 4.673 6.744 6.390 1.00 0.00 C ATOM 460 C GLU A 31 4.249 6.696 4.926 1.00 0.00 C ATOM 461 O GLU A 31 5.007 7.081 4.032 1.00 0.00 O ATOM 462 CB GLU A 31 4.689 5.328 6.977 1.00 0.00 C ATOM 463 CG GLU A 31 5.447 5.336 8.308 1.00 0.00 C ATOM 464 CD GLU A 31 5.411 3.953 8.943 1.00 0.00 C ATOM 465 OE1 GLU A 31 5.080 3.016 8.244 1.00 0.00 O ATOM 466 OE2 GLU A 31 5.702 3.853 10.124 1.00 0.00 O ATOM 0 H GLU A 31 3.294 7.114 7.932 1.00 0.00 H new ATOM 0 HA GLU A 31 5.675 7.168 6.452 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.669 4.974 7.129 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.165 4.639 6.279 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.480 5.642 8.144 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.002 6.066 8.984 1.00 0.00 H new ATOM 473 N LEU A 32 3.027 6.235 4.687 1.00 0.00 N ATOM 474 CA LEU A 32 2.504 6.155 3.328 1.00 0.00 C ATOM 475 C LEU A 32 2.415 7.535 2.699 1.00 0.00 C ATOM 476 O LEU A 32 2.849 7.740 1.568 1.00 0.00 O ATOM 477 CB LEU A 32 1.117 5.515 3.371 1.00 0.00 C ATOM 478 CG LEU A 32 0.404 5.588 2.012 1.00 0.00 C ATOM 479 CD1 LEU A 32 1.173 4.765 0.984 1.00 0.00 C ATOM 480 CD2 LEU A 32 -1.008 5.019 2.164 1.00 0.00 C ATOM 0 H LEU A 32 2.384 5.913 5.410 1.00 0.00 H new ATOM 0 HA LEU A 32 3.179 5.550 2.722 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.209 4.473 3.676 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.510 6.016 4.125 1.00 0.00 H new ATOM 0 HG LEU A 32 0.355 6.624 1.677 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.665 4.819 0.021 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.184 5.161 0.884 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.221 3.726 1.312 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.524 5.066 1.205 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.949 3.982 2.494 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.558 5.604 2.901 1.00 0.00 H new ATOM 492 N GLY A 33 1.842 8.478 3.435 1.00 0.00 N ATOM 493 CA GLY A 33 1.692 9.832 2.921 1.00 0.00 C ATOM 494 C GLY A 33 3.006 10.316 2.334 1.00 0.00 C ATOM 495 O GLY A 33 3.037 10.896 1.249 1.00 0.00 O ATOM 0 H GLY A 33 1.478 8.334 4.377 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.914 9.856 2.158 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.374 10.500 3.722 1.00 0.00 H new ATOM 499 N THR A 34 4.094 10.071 3.056 1.00 0.00 N ATOM 500 CA THR A 34 5.406 10.487 2.589 1.00 0.00 C ATOM 501 C THR A 34 5.721 9.811 1.263 1.00 0.00 C ATOM 502 O THR A 34 6.160 10.465 0.316 1.00 0.00 O ATOM 503 CB THR A 34 6.470 10.123 3.625 1.00 0.00 C ATOM 504 OG1 THR A 34 6.194 10.801 4.841 1.00 0.00 O ATOM 505 CG2 THR A 34 7.851 10.538 3.112 1.00 0.00 C ATOM 0 H THR A 34 4.092 9.592 3.956 1.00 0.00 H new ATOM 0 HA THR A 34 5.406 11.568 2.447 1.00 0.00 H new ATOM 0 HB THR A 34 6.457 9.046 3.795 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.535 10.292 5.357 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.608 10.277 3.852 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.063 10.018 2.178 1.00 0.00 H new ATOM 0 HG23 THR A 34 7.867 11.614 2.940 1.00 0.00 H new ATOM 513 N VAL A 35 5.494 8.499 1.190 1.00 0.00 N ATOM 514 CA VAL A 35 5.757 7.752 -0.030 1.00 0.00 C ATOM 515 C VAL A 35 4.917 8.288 -1.181 1.00 0.00 C ATOM 516 O VAL A 35 5.399 8.426 -2.301 1.00 0.00 O ATOM 517 CB VAL A 35 5.418 6.272 0.194 1.00 0.00 C ATOM 518 CG1 VAL A 35 5.710 5.474 -1.082 1.00 0.00 C ATOM 519 CG2 VAL A 35 6.259 5.722 1.346 1.00 0.00 C ATOM 0 H VAL A 35 5.130 7.938 1.960 1.00 0.00 H new ATOM 0 HA VAL A 35 6.812 7.861 -0.283 1.00 0.00 H new ATOM 0 HB VAL A 35 4.360 6.180 0.441 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.468 4.424 -0.918 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.104 5.862 -1.901 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.766 5.567 -1.336 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.017 4.671 1.504 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.317 5.818 1.102 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.043 6.284 2.255 1.00 0.00 H new ATOM 529 N MET A 36 3.662 8.603 -0.895 1.00 0.00 N ATOM 530 CA MET A 36 2.774 9.135 -1.926 1.00 0.00 C ATOM 531 C MET A 36 3.255 10.503 -2.421 1.00 0.00 C ATOM 532 O MET A 36 3.171 10.806 -3.611 1.00 0.00 O ATOM 533 CB MET A 36 1.348 9.246 -1.384 1.00 0.00 C ATOM 534 CG MET A 36 0.832 7.845 -1.045 1.00 0.00 C ATOM 535 SD MET A 36 -0.876 7.951 -0.452 1.00 0.00 S ATOM 536 CE MET A 36 -1.682 7.759 -2.061 1.00 0.00 C ATOM 0 H MET A 36 3.238 8.503 0.027 1.00 0.00 H new ATOM 0 HA MET A 36 2.786 8.446 -2.771 1.00 0.00 H new ATOM 0 HB2 MET A 36 1.331 9.878 -0.496 1.00 0.00 H new ATOM 0 HB3 MET A 36 0.700 9.717 -2.123 1.00 0.00 H new ATOM 0 HG2 MET A 36 0.882 7.205 -1.926 1.00 0.00 H new ATOM 0 HG3 MET A 36 1.464 7.389 -0.283 1.00 0.00 H new ATOM 0 HE1 MET A 36 -2.670 8.218 -2.030 1.00 0.00 H new ATOM 0 HE2 MET A 36 -1.080 8.244 -2.830 1.00 0.00 H new ATOM 0 HE3 MET A 36 -1.782 6.699 -2.294 1.00 0.00 H new ATOM 546 N ARG A 37 3.752 11.329 -1.501 1.00 0.00 N ATOM 547 CA ARG A 37 4.229 12.664 -1.870 1.00 0.00 C ATOM 548 C ARG A 37 5.562 12.584 -2.619 1.00 0.00 C ATOM 549 O ARG A 37 5.721 13.178 -3.686 1.00 0.00 O ATOM 550 CB ARG A 37 4.380 13.532 -0.630 1.00 0.00 C ATOM 551 CG ARG A 37 4.705 14.963 -1.066 1.00 0.00 C ATOM 552 CD ARG A 37 4.615 15.872 0.145 1.00 0.00 C ATOM 553 NE ARG A 37 4.905 17.253 -0.228 1.00 0.00 N ATOM 554 CZ ARG A 37 6.154 17.697 -0.311 1.00 0.00 C ATOM 555 NH1 ARG A 37 7.151 16.898 -0.036 1.00 0.00 N ATOM 556 NH2 ARG A 37 6.387 18.931 -0.669 1.00 0.00 N ATOM 0 H ARG A 37 3.835 11.104 -0.510 1.00 0.00 H new ATOM 0 HA ARG A 37 3.490 13.115 -2.533 1.00 0.00 H new ATOM 0 HB2 ARG A 37 3.461 13.516 -0.044 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.173 13.143 0.009 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.704 15.008 -1.499 1.00 0.00 H new ATOM 0 HG3 ARG A 37 4.008 15.291 -1.837 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.618 15.809 0.581 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.318 15.540 0.909 1.00 0.00 H new ATOM 0 HE ARG A 37 4.134 17.889 -0.429 1.00 0.00 H new ATOM 0 HH11 ARG A 37 6.970 15.934 0.242 1.00 0.00 H new ATOM 0 HH12 ARG A 37 8.110 17.239 -0.100 1.00 0.00 H new ATOM 0 HH21 ARG A 37 5.609 19.555 -0.885 1.00 0.00 H new ATOM 0 HH22 ARG A 37 7.347 19.271 -0.732 1.00 0.00 H new ATOM 570 N SER A 38 6.519 11.859 -2.045 1.00 0.00 N ATOM 571 CA SER A 38 7.839 11.724 -2.658 1.00 0.00 C ATOM 572 C SER A 38 7.722 11.245 -4.101 1.00 0.00 C ATOM 573 O SER A 38 8.538 11.600 -4.951 1.00 0.00 O ATOM 574 CB SER A 38 8.691 10.739 -1.855 1.00 0.00 C ATOM 575 OG SER A 38 10.061 10.918 -2.194 1.00 0.00 O ATOM 0 H SER A 38 6.407 11.359 -1.163 1.00 0.00 H new ATOM 0 HA SER A 38 8.318 12.703 -2.656 1.00 0.00 H new ATOM 0 HB2 SER A 38 8.545 10.900 -0.787 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.382 9.716 -2.068 1.00 0.00 H new ATOM 0 HG SER A 38 10.610 10.289 -1.680 1.00 0.00 H new ATOM 581 N LEU A 39 6.705 10.436 -4.367 1.00 0.00 N ATOM 582 CA LEU A 39 6.488 9.910 -5.711 1.00 0.00 C ATOM 583 C LEU A 39 5.931 10.984 -6.644 1.00 0.00 C ATOM 584 O LEU A 39 6.016 10.855 -7.864 1.00 0.00 O ATOM 585 CB LEU A 39 5.533 8.721 -5.644 1.00 0.00 C ATOM 586 CG LEU A 39 6.232 7.533 -4.963 1.00 0.00 C ATOM 587 CD1 LEU A 39 5.177 6.505 -4.544 1.00 0.00 C ATOM 588 CD2 LEU A 39 7.235 6.868 -5.929 1.00 0.00 C ATOM 0 H LEU A 39 6.020 10.130 -3.676 1.00 0.00 H new ATOM 0 HA LEU A 39 7.447 9.586 -6.115 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.635 8.994 -5.089 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.214 8.441 -6.648 1.00 0.00 H new ATOM 0 HG LEU A 39 6.774 7.895 -4.089 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.665 5.659 -4.060 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.476 6.966 -3.848 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.638 6.157 -5.425 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.720 6.029 -5.429 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.706 6.508 -6.812 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.988 7.596 -6.229 1.00 0.00 H new ATOM 600 N GLY A 40 5.394 12.057 -6.066 1.00 0.00 N ATOM 601 CA GLY A 40 4.861 13.163 -6.861 1.00 0.00 C ATOM 602 C GLY A 40 3.394 12.957 -7.200 1.00 0.00 C ATOM 603 O GLY A 40 2.865 13.590 -8.112 1.00 0.00 O ATOM 0 H GLY A 40 5.316 12.184 -5.057 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.980 14.097 -6.311 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.437 13.260 -7.781 1.00 0.00 H new ATOM 607 N GLN A 41 2.738 12.071 -6.460 1.00 0.00 N ATOM 608 CA GLN A 41 1.322 11.784 -6.686 1.00 0.00 C ATOM 609 C GLN A 41 0.448 12.494 -5.655 1.00 0.00 C ATOM 610 O GLN A 41 0.957 13.111 -4.716 1.00 0.00 O ATOM 611 CB GLN A 41 1.088 10.277 -6.628 1.00 0.00 C ATOM 612 CG GLN A 41 1.627 9.624 -7.905 1.00 0.00 C ATOM 613 CD GLN A 41 1.418 8.115 -7.858 1.00 0.00 C ATOM 614 OE1 GLN A 41 1.710 7.477 -6.845 1.00 0.00 O ATOM 615 NE2 GLN A 41 0.928 7.501 -8.903 1.00 0.00 N ATOM 0 H GLN A 41 3.161 11.539 -5.699 1.00 0.00 H new ATOM 0 HA GLN A 41 1.046 12.155 -7.673 1.00 0.00 H new ATOM 0 HB2 GLN A 41 1.584 9.855 -5.754 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.024 10.068 -6.522 1.00 0.00 H new ATOM 0 HG2 GLN A 41 1.121 10.041 -8.776 1.00 0.00 H new ATOM 0 HG3 GLN A 41 2.688 9.847 -8.016 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.687 8.032 -9.740 1.00 0.00 H new ATOM 0 HE22 GLN A 41 0.786 6.491 -8.881 1.00 0.00 H new ATOM 624 N ASN A 42 -0.872 12.419 -5.853 1.00 0.00 N ATOM 625 CA ASN A 42 -1.828 13.075 -4.961 1.00 0.00 C ATOM 626 C ASN A 42 -1.351 13.028 -3.499 1.00 0.00 C ATOM 627 O ASN A 42 -1.475 11.995 -2.841 1.00 0.00 O ATOM 628 CB ASN A 42 -3.184 12.377 -5.075 1.00 0.00 C ATOM 629 CG ASN A 42 -3.070 10.922 -4.636 1.00 0.00 C ATOM 630 OD1 ASN A 42 -3.339 10.597 -3.480 1.00 0.00 O ATOM 631 ND2 ASN A 42 -2.686 10.019 -5.500 1.00 0.00 N ATOM 0 H ASN A 42 -1.301 11.909 -6.625 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.914 14.120 -5.258 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -3.919 12.893 -4.458 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -3.540 12.426 -6.104 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -2.609 9.042 -5.217 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -2.464 10.291 -6.458 1.00 0.00 H new ATOM 638 N PRO A 43 -0.795 14.108 -2.979 1.00 0.00 N ATOM 639 CA PRO A 43 -0.289 14.148 -1.577 1.00 0.00 C ATOM 640 C PRO A 43 -1.418 14.304 -0.561 1.00 0.00 C ATOM 641 O PRO A 43 -1.183 14.688 0.585 1.00 0.00 O ATOM 642 CB PRO A 43 0.660 15.357 -1.562 1.00 0.00 C ATOM 643 CG PRO A 43 0.164 16.272 -2.645 1.00 0.00 C ATOM 644 CD PRO A 43 -0.595 15.402 -3.661 1.00 0.00 C ATOM 0 HA PRO A 43 0.207 13.221 -1.292 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.647 15.854 -0.592 1.00 0.00 H new ATOM 0 HB3 PRO A 43 1.689 15.050 -1.749 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -0.490 17.040 -2.231 1.00 0.00 H new ATOM 0 HG3 PRO A 43 0.996 16.787 -3.125 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -1.548 15.855 -3.935 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -0.023 15.279 -4.581 1.00 0.00 H new ATOM 652 N THR A 44 -2.638 14.011 -0.995 1.00 0.00 N ATOM 653 CA THR A 44 -3.803 14.123 -0.124 1.00 0.00 C ATOM 654 C THR A 44 -3.671 13.201 1.090 1.00 0.00 C ATOM 655 O THR A 44 -4.377 12.203 1.215 1.00 0.00 O ATOM 656 CB THR A 44 -5.078 13.782 -0.907 1.00 0.00 C ATOM 657 OG1 THR A 44 -6.170 13.687 -0.005 1.00 0.00 O ATOM 658 CG2 THR A 44 -4.910 12.451 -1.653 1.00 0.00 C ATOM 0 H THR A 44 -2.847 13.695 -1.942 1.00 0.00 H new ATOM 0 HA THR A 44 -3.865 15.151 0.234 1.00 0.00 H new ATOM 0 HB THR A 44 -5.267 14.569 -1.637 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.996 13.947 -0.463 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.823 12.224 -2.203 1.00 0.00 H new ATOM 0 HG22 THR A 44 -4.076 12.528 -2.351 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.711 11.655 -0.936 1.00 0.00 H new ATOM 666 N GLU A 45 -2.771 13.564 1.995 1.00 0.00 N ATOM 667 CA GLU A 45 -2.553 12.792 3.211 1.00 0.00 C ATOM 668 C GLU A 45 -3.821 12.764 4.061 1.00 0.00 C ATOM 669 O GLU A 45 -3.944 11.975 4.993 1.00 0.00 O ATOM 670 CB GLU A 45 -1.391 13.405 4.005 1.00 0.00 C ATOM 671 CG GLU A 45 -1.239 12.690 5.349 1.00 0.00 C ATOM 672 CD GLU A 45 0.049 13.133 6.036 1.00 0.00 C ATOM 673 OE1 GLU A 45 0.893 13.700 5.362 1.00 0.00 O ATOM 674 OE2 GLU A 45 0.172 12.900 7.228 1.00 0.00 O ATOM 0 H GLU A 45 -2.179 14.390 1.909 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.302 11.766 2.942 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.466 13.323 3.434 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -1.572 14.468 4.168 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.095 12.912 5.986 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.226 11.611 5.196 1.00 0.00 H new ATOM 681 N ALA A 46 -4.778 13.605 3.702 1.00 0.00 N ATOM 682 CA ALA A 46 -6.047 13.653 4.422 1.00 0.00 C ATOM 683 C ALA A 46 -6.947 12.492 4.007 1.00 0.00 C ATOM 684 O ALA A 46 -7.587 11.851 4.845 1.00 0.00 O ATOM 685 CB ALA A 46 -6.748 14.981 4.142 1.00 0.00 C ATOM 0 H ALA A 46 -4.705 14.260 2.923 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.845 13.568 5.490 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -7.695 15.013 4.681 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.114 15.804 4.472 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.936 15.075 3.072 1.00 0.00 H new ATOM 691 N GLU A 47 -6.989 12.230 2.707 1.00 0.00 N ATOM 692 CA GLU A 47 -7.811 11.152 2.174 1.00 0.00 C ATOM 693 C GLU A 47 -7.387 9.829 2.797 1.00 0.00 C ATOM 694 O GLU A 47 -8.226 9.031 3.213 1.00 0.00 O ATOM 695 CB GLU A 47 -7.644 11.092 0.650 1.00 0.00 C ATOM 696 CG GLU A 47 -8.593 10.055 0.040 1.00 0.00 C ATOM 697 CD GLU A 47 -10.034 10.541 0.132 1.00 0.00 C ATOM 698 OE1 GLU A 47 -10.230 11.682 0.515 1.00 0.00 O ATOM 699 OE2 GLU A 47 -10.921 9.765 -0.183 1.00 0.00 O ATOM 0 H GLU A 47 -6.464 12.749 2.003 1.00 0.00 H new ATOM 0 HA GLU A 47 -8.858 11.337 2.414 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -7.844 12.073 0.219 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.613 10.839 0.402 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.328 9.877 -1.002 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.488 9.104 0.562 1.00 0.00 H new ATOM 706 N LEU A 48 -6.076 9.606 2.859 1.00 0.00 N ATOM 707 CA LEU A 48 -5.553 8.377 3.440 1.00 0.00 C ATOM 708 C LEU A 48 -5.914 8.305 4.921 1.00 0.00 C ATOM 709 O LEU A 48 -6.467 7.310 5.385 1.00 0.00 O ATOM 710 CB LEU A 48 -4.028 8.336 3.278 1.00 0.00 C ATOM 711 CG LEU A 48 -3.658 7.926 1.843 1.00 0.00 C ATOM 712 CD1 LEU A 48 -4.036 6.453 1.575 1.00 0.00 C ATOM 713 CD2 LEU A 48 -4.389 8.839 0.850 1.00 0.00 C ATOM 0 H LEU A 48 -5.366 10.253 2.518 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.994 7.524 2.924 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.604 9.314 3.505 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.598 7.630 3.988 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.580 8.029 1.717 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.764 6.188 0.553 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.501 5.808 2.272 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.110 6.323 1.710 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.129 8.551 -0.169 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.465 8.742 0.991 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.093 9.874 1.021 1.00 0.00 H new ATOM 725 N GLN A 49 -5.585 9.362 5.659 1.00 0.00 N ATOM 726 CA GLN A 49 -5.870 9.389 7.093 1.00 0.00 C ATOM 727 C GLN A 49 -7.304 8.945 7.361 1.00 0.00 C ATOM 728 O GLN A 49 -7.577 8.237 8.332 1.00 0.00 O ATOM 729 CB GLN A 49 -5.659 10.806 7.643 1.00 0.00 C ATOM 730 CG GLN A 49 -4.166 11.079 7.824 1.00 0.00 C ATOM 731 CD GLN A 49 -3.939 12.556 8.123 1.00 0.00 C ATOM 732 OE1 GLN A 49 -4.672 13.412 7.626 1.00 0.00 O ATOM 733 NE2 GLN A 49 -2.961 12.908 8.914 1.00 0.00 N ATOM 0 H GLN A 49 -5.128 10.199 5.297 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.189 8.701 7.593 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -6.091 11.538 6.961 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -6.175 10.916 8.597 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.773 10.470 8.638 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.624 10.794 6.922 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.356 12.197 9.324 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.803 13.894 9.122 1.00 0.00 H new ATOM 742 N ASP A 50 -8.211 9.358 6.489 1.00 0.00 N ATOM 743 CA ASP A 50 -9.613 8.996 6.632 1.00 0.00 C ATOM 744 C ASP A 50 -9.852 7.540 6.230 1.00 0.00 C ATOM 745 O ASP A 50 -10.614 6.826 6.883 1.00 0.00 O ATOM 746 CB ASP A 50 -10.474 9.920 5.770 1.00 0.00 C ATOM 747 CG ASP A 50 -11.943 9.792 6.164 1.00 0.00 C ATOM 748 OD1 ASP A 50 -12.205 9.373 7.280 1.00 0.00 O ATOM 749 OD2 ASP A 50 -12.784 10.120 5.344 1.00 0.00 O ATOM 0 H ASP A 50 -8.003 9.941 5.679 1.00 0.00 H new ATOM 0 HA ASP A 50 -9.890 9.108 7.680 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.146 10.952 5.891 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.349 9.668 4.717 1.00 0.00 H new ATOM 754 N MET A 51 -9.204 7.107 5.148 1.00 0.00 N ATOM 755 CA MET A 51 -9.367 5.735 4.671 1.00 0.00 C ATOM 756 C MET A 51 -8.783 4.734 5.664 1.00 0.00 C ATOM 757 O MET A 51 -9.404 3.716 5.961 1.00 0.00 O ATOM 758 CB MET A 51 -8.675 5.573 3.315 1.00 0.00 C ATOM 759 CG MET A 51 -9.510 6.248 2.223 1.00 0.00 C ATOM 760 SD MET A 51 -11.038 5.312 1.961 1.00 0.00 S ATOM 761 CE MET A 51 -11.941 6.600 1.066 1.00 0.00 C ATOM 0 H MET A 51 -8.569 7.679 4.592 1.00 0.00 H new ATOM 0 HA MET A 51 -10.434 5.536 4.568 1.00 0.00 H new ATOM 0 HB2 MET A 51 -7.679 6.015 3.349 1.00 0.00 H new ATOM 0 HB3 MET A 51 -8.547 4.515 3.086 1.00 0.00 H new ATOM 0 HG2 MET A 51 -9.744 7.273 2.511 1.00 0.00 H new ATOM 0 HG3 MET A 51 -8.940 6.300 1.295 1.00 0.00 H new ATOM 0 HE1 MET A 51 -12.932 6.232 0.800 1.00 0.00 H new ATOM 0 HE2 MET A 51 -12.039 7.482 1.699 1.00 0.00 H new ATOM 0 HE3 MET A 51 -11.396 6.863 0.159 1.00 0.00 H new ATOM 771 N ILE A 52 -7.591 5.034 6.177 1.00 0.00 N ATOM 772 CA ILE A 52 -6.939 4.150 7.136 1.00 0.00 C ATOM 773 C ILE A 52 -7.782 4.060 8.405 1.00 0.00 C ATOM 774 O ILE A 52 -7.971 2.979 8.963 1.00 0.00 O ATOM 775 CB ILE A 52 -5.518 4.663 7.458 1.00 0.00 C ATOM 776 CG1 ILE A 52 -4.575 4.306 6.296 1.00 0.00 C ATOM 777 CG2 ILE A 52 -5.004 4.012 8.752 1.00 0.00 C ATOM 778 CD1 ILE A 52 -3.205 4.971 6.485 1.00 0.00 C ATOM 0 H ILE A 52 -7.062 5.875 5.946 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.849 3.154 6.703 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.548 5.744 7.591 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.455 3.224 6.238 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.014 4.629 5.352 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.002 4.380 8.971 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.671 4.264 9.576 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.974 2.930 8.628 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -2.554 4.705 5.652 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.328 6.054 6.519 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.759 4.627 7.418 1.00 0.00 H new ATOM 790 N ASN A 53 -8.285 5.203 8.849 1.00 0.00 N ATOM 791 CA ASN A 53 -9.107 5.252 10.049 1.00 0.00 C ATOM 792 C ASN A 53 -10.270 4.264 9.950 1.00 0.00 C ATOM 793 O ASN A 53 -10.867 3.898 10.962 1.00 0.00 O ATOM 794 CB ASN A 53 -9.648 6.673 10.245 1.00 0.00 C ATOM 795 CG ASN A 53 -8.553 7.581 10.802 1.00 0.00 C ATOM 796 OD1 ASN A 53 -7.547 7.095 11.321 1.00 0.00 O ATOM 797 ND2 ASN A 53 -8.689 8.877 10.723 1.00 0.00 N ATOM 0 H ASN A 53 -8.139 6.106 8.398 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.491 4.974 10.904 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -10.009 7.067 9.295 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -10.498 6.656 10.927 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -7.961 9.490 11.091 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.523 9.277 10.293 1.00 0.00 H new ATOM 804 N GLU A 54 -10.597 3.845 8.728 1.00 0.00 N ATOM 805 CA GLU A 54 -11.702 2.904 8.515 1.00 0.00 C ATOM 806 C GLU A 54 -11.212 1.455 8.496 1.00 0.00 C ATOM 807 O GLU A 54 -11.643 0.639 9.310 1.00 0.00 O ATOM 808 CB GLU A 54 -12.405 3.224 7.190 1.00 0.00 C ATOM 809 CG GLU A 54 -13.099 4.588 7.280 1.00 0.00 C ATOM 810 CD GLU A 54 -14.235 4.536 8.298 1.00 0.00 C ATOM 811 OE1 GLU A 54 -14.706 3.445 8.577 1.00 0.00 O ATOM 812 OE2 GLU A 54 -14.617 5.588 8.782 1.00 0.00 O ATOM 0 H GLU A 54 -10.119 4.138 7.876 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.400 3.014 9.345 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.680 3.229 6.376 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -13.136 2.449 6.961 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -12.378 5.353 7.568 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -13.490 4.870 6.302 1.00 0.00 H new ATOM 819 N VAL A 55 -10.326 1.133 7.555 1.00 0.00 N ATOM 820 CA VAL A 55 -9.810 -0.231 7.435 1.00 0.00 C ATOM 821 C VAL A 55 -9.017 -0.651 8.674 1.00 0.00 C ATOM 822 O VAL A 55 -8.850 -1.842 8.932 1.00 0.00 O ATOM 823 CB VAL A 55 -8.927 -0.362 6.186 1.00 0.00 C ATOM 824 CG1 VAL A 55 -9.805 -0.278 4.933 1.00 0.00 C ATOM 825 CG2 VAL A 55 -7.889 0.769 6.161 1.00 0.00 C ATOM 0 H VAL A 55 -9.953 1.790 6.870 1.00 0.00 H new ATOM 0 HA VAL A 55 -10.670 -0.895 7.344 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.410 -1.322 6.208 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.181 -0.371 4.044 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -10.538 -1.085 4.947 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -10.322 0.681 4.915 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.265 0.671 5.272 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -8.400 1.732 6.141 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.264 0.709 7.052 1.00 0.00 H new ATOM 835 N ASP A 56 -8.525 0.321 9.438 1.00 0.00 N ATOM 836 CA ASP A 56 -7.750 0.009 10.640 1.00 0.00 C ATOM 837 C ASP A 56 -8.507 -0.979 11.529 1.00 0.00 C ATOM 838 O ASP A 56 -9.526 -0.638 12.127 1.00 0.00 O ATOM 839 CB ASP A 56 -7.457 1.292 11.420 1.00 0.00 C ATOM 840 CG ASP A 56 -8.757 2.027 11.730 1.00 0.00 C ATOM 841 OD1 ASP A 56 -9.792 1.577 11.267 1.00 0.00 O ATOM 842 OD2 ASP A 56 -8.699 3.033 12.417 1.00 0.00 O ATOM 0 H ASP A 56 -8.645 1.317 9.252 1.00 0.00 H new ATOM 0 HA ASP A 56 -6.809 -0.449 10.335 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -6.936 1.052 12.347 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -6.796 1.936 10.840 1.00 0.00 H new ATOM 847 N ALA A 57 -8.002 -2.213 11.591 1.00 0.00 N ATOM 848 CA ALA A 57 -8.638 -3.261 12.389 1.00 0.00 C ATOM 849 C ALA A 57 -8.589 -2.954 13.887 1.00 0.00 C ATOM 850 O ALA A 57 -9.608 -3.024 14.574 1.00 0.00 O ATOM 851 CB ALA A 57 -7.944 -4.598 12.122 1.00 0.00 C ATOM 0 H ALA A 57 -7.158 -2.509 11.100 1.00 0.00 H new ATOM 0 HA ALA A 57 -9.686 -3.310 12.094 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.418 -5.379 12.717 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -8.028 -4.846 11.064 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.891 -4.522 12.395 1.00 0.00 H new ATOM 857 N ASP A 58 -7.401 -2.629 14.394 1.00 0.00 N ATOM 858 CA ASP A 58 -7.241 -2.331 15.819 1.00 0.00 C ATOM 859 C ASP A 58 -7.643 -0.894 16.136 1.00 0.00 C ATOM 860 O ASP A 58 -7.887 -0.552 17.293 1.00 0.00 O ATOM 861 CB ASP A 58 -5.786 -2.550 16.243 1.00 0.00 C ATOM 862 CG ASP A 58 -5.438 -4.036 16.188 1.00 0.00 C ATOM 863 OD1 ASP A 58 -6.331 -4.843 16.388 1.00 0.00 O ATOM 864 OD2 ASP A 58 -4.284 -4.345 15.940 1.00 0.00 O ATOM 0 H ASP A 58 -6.542 -2.565 13.847 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.895 -3.005 16.372 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.120 -1.989 15.587 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.633 -2.170 17.253 1.00 0.00 H new ATOM 869 N GLY A 59 -7.690 -0.050 15.111 1.00 0.00 N ATOM 870 CA GLY A 59 -8.041 1.352 15.309 1.00 0.00 C ATOM 871 C GLY A 59 -6.827 2.125 15.816 1.00 0.00 C ATOM 872 O GLY A 59 -6.955 3.204 16.396 1.00 0.00 O ATOM 0 H GLY A 59 -7.492 -0.308 14.144 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.392 1.784 14.372 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.859 1.433 16.024 1.00 0.00 H new ATOM 876 N ASN A 60 -5.651 1.547 15.596 1.00 0.00 N ATOM 877 CA ASN A 60 -4.398 2.151 16.026 1.00 0.00 C ATOM 878 C ASN A 60 -3.954 3.214 15.032 1.00 0.00 C ATOM 879 O ASN A 60 -3.018 3.971 15.291 1.00 0.00 O ATOM 880 CB ASN A 60 -3.328 1.062 16.130 1.00 0.00 C ATOM 881 CG ASN A 60 -2.110 1.579 16.887 1.00 0.00 C ATOM 882 OD1 ASN A 60 -2.241 2.421 17.776 1.00 0.00 O ATOM 883 ND2 ASN A 60 -0.927 1.111 16.587 1.00 0.00 N ATOM 0 H ASN A 60 -5.541 0.653 15.118 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.542 2.623 16.998 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.737 0.190 16.640 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.033 0.738 15.132 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.104 1.443 17.091 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -0.826 0.414 15.849 1.00 0.00 H new ATOM 890 N GLY A 61 -4.635 3.261 13.892 1.00 0.00 N ATOM 891 CA GLY A 61 -4.310 4.228 12.854 1.00 0.00 C ATOM 892 C GLY A 61 -3.192 3.709 11.956 1.00 0.00 C ATOM 893 O GLY A 61 -2.534 4.483 11.259 1.00 0.00 O ATOM 0 H GLY A 61 -5.413 2.642 13.665 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.196 4.435 12.255 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.007 5.170 13.311 1.00 0.00 H new ATOM 897 N THR A 62 -2.983 2.391 11.971 1.00 0.00 N ATOM 898 CA THR A 62 -1.944 1.774 11.150 1.00 0.00 C ATOM 899 C THR A 62 -2.491 0.557 10.413 1.00 0.00 C ATOM 900 O THR A 62 -3.473 -0.050 10.841 1.00 0.00 O ATOM 901 CB THR A 62 -0.782 1.342 12.041 1.00 0.00 C ATOM 902 OG1 THR A 62 -1.187 0.245 12.849 1.00 0.00 O ATOM 903 CG2 THR A 62 -0.360 2.508 12.937 1.00 0.00 C ATOM 0 H THR A 62 -3.517 1.735 12.540 1.00 0.00 H new ATOM 0 HA THR A 62 -1.602 2.504 10.417 1.00 0.00 H new ATOM 0 HB THR A 62 0.060 1.043 11.417 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.441 -0.034 13.420 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.470 2.197 13.572 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.047 3.348 12.317 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.201 2.810 13.561 1.00 0.00 H new ATOM 911 N ILE A 63 -1.842 0.197 9.303 1.00 0.00 N ATOM 912 CA ILE A 63 -2.262 -0.963 8.509 1.00 0.00 C ATOM 913 C ILE A 63 -1.281 -2.114 8.695 1.00 0.00 C ATOM 914 O ILE A 63 -0.081 -1.970 8.451 1.00 0.00 O ATOM 915 CB ILE A 63 -2.325 -0.589 7.026 1.00 0.00 C ATOM 916 CG1 ILE A 63 -3.158 0.688 6.847 1.00 0.00 C ATOM 917 CG2 ILE A 63 -2.960 -1.731 6.229 1.00 0.00 C ATOM 918 CD1 ILE A 63 -4.508 0.540 7.550 1.00 0.00 C ATOM 0 H ILE A 63 -1.028 0.688 8.934 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.250 -1.274 8.849 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.313 -0.414 6.660 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.619 1.543 7.255 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.312 0.885 5.786 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.002 -1.459 5.174 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.361 -2.634 6.347 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.969 -1.914 6.597 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -5.090 1.452 7.416 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.051 -0.303 7.122 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.347 0.365 8.614 1.00 0.00 H new ATOM 930 N ASP A 64 -1.801 -3.249 9.149 1.00 0.00 N ATOM 931 CA ASP A 64 -0.971 -4.423 9.392 1.00 0.00 C ATOM 932 C ASP A 64 -0.714 -5.200 8.098 1.00 0.00 C ATOM 933 O ASP A 64 -1.313 -4.920 7.060 1.00 0.00 O ATOM 934 CB ASP A 64 -1.662 -5.334 10.408 1.00 0.00 C ATOM 935 CG ASP A 64 -2.144 -4.513 11.600 1.00 0.00 C ATOM 936 OD1 ASP A 64 -1.356 -3.740 12.118 1.00 0.00 O ATOM 937 OD2 ASP A 64 -3.295 -4.669 11.975 1.00 0.00 O ATOM 0 H ASP A 64 -2.791 -3.381 9.356 1.00 0.00 H new ATOM 0 HA ASP A 64 -0.011 -4.088 9.783 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -2.506 -5.841 9.940 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.972 -6.108 10.744 1.00 0.00 H new ATOM 942 N PHE A 65 0.183 -6.179 8.184 1.00 0.00 N ATOM 943 CA PHE A 65 0.537 -7.015 7.037 1.00 0.00 C ATOM 944 C PHE A 65 -0.702 -7.641 6.364 1.00 0.00 C ATOM 945 O PHE A 65 -0.857 -7.529 5.146 1.00 0.00 O ATOM 946 CB PHE A 65 1.523 -8.128 7.476 1.00 0.00 C ATOM 947 CG PHE A 65 2.297 -7.678 8.692 1.00 0.00 C ATOM 948 CD1 PHE A 65 1.751 -7.826 9.975 1.00 0.00 C ATOM 949 CD2 PHE A 65 3.563 -7.110 8.532 1.00 0.00 C ATOM 950 CE1 PHE A 65 2.476 -7.404 11.095 1.00 0.00 C ATOM 951 CE2 PHE A 65 4.288 -6.688 9.651 1.00 0.00 C ATOM 952 CZ PHE A 65 3.745 -6.835 10.933 1.00 0.00 C ATOM 0 H PHE A 65 0.682 -6.415 9.042 1.00 0.00 H new ATOM 0 HA PHE A 65 1.015 -6.370 6.300 1.00 0.00 H new ATOM 0 HB2 PHE A 65 0.975 -9.043 7.701 1.00 0.00 H new ATOM 0 HB3 PHE A 65 2.210 -8.359 6.662 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.772 -8.265 10.099 1.00 0.00 H new ATOM 0 HD2 PHE A 65 3.982 -6.997 7.543 1.00 0.00 H new ATOM 0 HE1 PHE A 65 2.057 -7.517 12.084 1.00 0.00 H new ATOM 0 HE2 PHE A 65 5.267 -6.249 9.526 1.00 0.00 H new ATOM 0 HZ PHE A 65 4.305 -6.509 11.797 1.00 0.00 H new ATOM 962 N PRO A 66 -1.570 -8.320 7.099 1.00 0.00 N ATOM 963 CA PRO A 66 -2.774 -8.985 6.500 1.00 0.00 C ATOM 964 C PRO A 66 -3.699 -8.018 5.758 1.00 0.00 C ATOM 965 O PRO A 66 -4.121 -8.290 4.634 1.00 0.00 O ATOM 966 CB PRO A 66 -3.494 -9.613 7.717 1.00 0.00 C ATOM 967 CG PRO A 66 -2.960 -8.886 8.907 1.00 0.00 C ATOM 968 CD PRO A 66 -1.529 -8.533 8.563 1.00 0.00 C ATOM 0 HA PRO A 66 -2.484 -9.711 5.740 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.575 -9.497 7.638 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.292 -10.682 7.785 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -3.545 -7.990 9.114 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.006 -9.510 9.800 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -1.198 -7.638 9.090 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.841 -9.334 8.833 1.00 0.00 H new ATOM 976 N GLU A 67 -4.028 -6.906 6.402 1.00 0.00 N ATOM 977 CA GLU A 67 -4.930 -5.929 5.802 1.00 0.00 C ATOM 978 C GLU A 67 -4.449 -5.511 4.422 1.00 0.00 C ATOM 979 O GLU A 67 -5.206 -5.549 3.452 1.00 0.00 O ATOM 980 CB GLU A 67 -5.014 -4.696 6.696 1.00 0.00 C ATOM 981 CG GLU A 67 -5.719 -5.061 7.999 1.00 0.00 C ATOM 982 CD GLU A 67 -5.724 -3.861 8.939 1.00 0.00 C ATOM 983 OE1 GLU A 67 -5.196 -2.831 8.555 1.00 0.00 O ATOM 984 OE2 GLU A 67 -6.251 -3.992 10.032 1.00 0.00 O ATOM 0 H GLU A 67 -3.688 -6.658 7.331 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.912 -6.391 5.702 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.014 -4.316 6.905 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.557 -3.900 6.186 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.742 -5.377 7.793 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.214 -5.903 8.473 1.00 0.00 H new ATOM 991 N PHE A 68 -3.192 -5.106 4.339 1.00 0.00 N ATOM 992 CA PHE A 68 -2.630 -4.677 3.066 1.00 0.00 C ATOM 993 C PHE A 68 -2.730 -5.800 2.034 1.00 0.00 C ATOM 994 O PHE A 68 -3.180 -5.592 0.902 1.00 0.00 O ATOM 995 CB PHE A 68 -1.168 -4.284 3.256 1.00 0.00 C ATOM 996 CG PHE A 68 -0.602 -3.823 1.936 1.00 0.00 C ATOM 997 CD1 PHE A 68 -0.120 -4.761 1.019 1.00 0.00 C ATOM 998 CD2 PHE A 68 -0.566 -2.458 1.630 1.00 0.00 C ATOM 999 CE1 PHE A 68 0.402 -4.336 -0.207 1.00 0.00 C ATOM 1000 CE2 PHE A 68 -0.043 -2.032 0.403 1.00 0.00 C ATOM 1001 CZ PHE A 68 0.442 -2.971 -0.516 1.00 0.00 C ATOM 0 H PHE A 68 -2.547 -5.065 5.128 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.195 -3.817 2.706 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.086 -3.489 3.998 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -0.597 -5.132 3.634 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.151 -5.814 1.257 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -0.941 -1.735 2.339 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.774 -5.061 -0.916 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.014 -0.979 0.165 1.00 0.00 H new ATOM 0 HZ PHE A 68 0.846 -2.643 -1.462 1.00 0.00 H new ATOM 1011 N LEU A 69 -2.322 -6.993 2.448 1.00 0.00 N ATOM 1012 CA LEU A 69 -2.365 -8.161 1.578 1.00 0.00 C ATOM 1013 C LEU A 69 -3.791 -8.432 1.111 1.00 0.00 C ATOM 1014 O LEU A 69 -4.005 -9.016 0.050 1.00 0.00 O ATOM 1015 CB LEU A 69 -1.793 -9.380 2.326 1.00 0.00 C ATOM 1016 CG LEU A 69 -2.085 -10.697 1.549 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -0.887 -11.652 1.666 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -3.332 -11.394 2.127 1.00 0.00 C ATOM 0 H LEU A 69 -1.957 -7.177 3.382 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.757 -7.970 0.694 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.717 -9.260 2.455 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.229 -9.437 3.323 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.259 -10.446 0.503 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.100 -12.571 1.120 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.001 -11.177 1.246 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.710 -11.887 2.716 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.524 -12.313 1.574 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.162 -11.631 3.177 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.193 -10.731 2.039 1.00 0.00 H new ATOM 1030 N THR A 70 -4.766 -8.021 1.913 1.00 0.00 N ATOM 1031 CA THR A 70 -6.170 -8.233 1.571 1.00 0.00 C ATOM 1032 C THR A 70 -6.719 -7.109 0.687 1.00 0.00 C ATOM 1033 O THR A 70 -7.079 -7.335 -0.468 1.00 0.00 O ATOM 1034 CB THR A 70 -6.988 -8.324 2.853 1.00 0.00 C ATOM 1035 OG1 THR A 70 -6.359 -9.234 3.746 1.00 0.00 O ATOM 1036 CG2 THR A 70 -8.400 -8.812 2.529 1.00 0.00 C ATOM 0 H THR A 70 -4.613 -7.541 2.800 1.00 0.00 H new ATOM 0 HA THR A 70 -6.245 -9.162 1.006 1.00 0.00 H new ATOM 0 HB THR A 70 -7.049 -7.340 3.318 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.768 -8.741 4.353 1.00 0.00 H new ATOM 0 HG21 THR A 70 -8.983 -8.876 3.448 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.879 -8.112 1.844 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.347 -9.796 2.064 1.00 0.00 H new ATOM 1044 N MET A 71 -6.805 -5.904 1.251 1.00 0.00 N ATOM 1045 CA MET A 71 -7.339 -4.756 0.519 1.00 0.00 C ATOM 1046 C MET A 71 -6.710 -4.618 -0.862 1.00 0.00 C ATOM 1047 O MET A 71 -7.270 -3.960 -1.738 1.00 0.00 O ATOM 1048 CB MET A 71 -7.152 -3.454 1.329 1.00 0.00 C ATOM 1049 CG MET A 71 -5.744 -2.868 1.132 1.00 0.00 C ATOM 1050 SD MET A 71 -5.571 -1.372 2.139 1.00 0.00 S ATOM 1051 CE MET A 71 -5.697 -2.155 3.762 1.00 0.00 C ATOM 0 H MET A 71 -6.514 -5.698 2.207 1.00 0.00 H new ATOM 0 HA MET A 71 -8.405 -4.932 0.378 1.00 0.00 H new ATOM 0 HB2 MET A 71 -7.899 -2.722 1.021 1.00 0.00 H new ATOM 0 HB3 MET A 71 -7.319 -3.655 2.387 1.00 0.00 H new ATOM 0 HG2 MET A 71 -4.989 -3.601 1.417 1.00 0.00 H new ATOM 0 HG3 MET A 71 -5.579 -2.633 0.080 1.00 0.00 H new ATOM 0 HE1 MET A 71 -5.288 -1.488 4.521 1.00 0.00 H new ATOM 0 HE2 MET A 71 -6.744 -2.361 3.986 1.00 0.00 H new ATOM 0 HE3 MET A 71 -5.136 -3.089 3.760 1.00 0.00 H new ATOM 1061 N MET A 72 -5.555 -5.247 -1.067 1.00 0.00 N ATOM 1062 CA MET A 72 -4.892 -5.180 -2.369 1.00 0.00 C ATOM 1063 C MET A 72 -5.403 -6.284 -3.301 1.00 0.00 C ATOM 1064 O MET A 72 -5.325 -6.167 -4.523 1.00 0.00 O ATOM 1065 CB MET A 72 -3.368 -5.269 -2.178 1.00 0.00 C ATOM 1066 CG MET A 72 -2.911 -6.728 -2.052 1.00 0.00 C ATOM 1067 SD MET A 72 -1.156 -6.778 -1.616 1.00 0.00 S ATOM 1068 CE MET A 72 -0.778 -8.367 -2.396 1.00 0.00 C ATOM 0 H MET A 72 -5.065 -5.800 -0.363 1.00 0.00 H new ATOM 0 HA MET A 72 -5.128 -4.226 -2.839 1.00 0.00 H new ATOM 0 HB2 MET A 72 -2.865 -4.799 -3.023 1.00 0.00 H new ATOM 0 HB3 MET A 72 -3.077 -4.715 -1.285 1.00 0.00 H new ATOM 0 HG2 MET A 72 -3.500 -7.240 -1.291 1.00 0.00 H new ATOM 0 HG3 MET A 72 -3.078 -7.254 -2.992 1.00 0.00 H new ATOM 0 HE1 MET A 72 0.303 -8.488 -2.469 1.00 0.00 H new ATOM 0 HE2 MET A 72 -1.194 -9.175 -1.795 1.00 0.00 H new ATOM 0 HE3 MET A 72 -1.215 -8.395 -3.394 1.00 0.00 H new ATOM 1078 N ALA A 73 -5.897 -7.369 -2.705 1.00 0.00 N ATOM 1079 CA ALA A 73 -6.393 -8.516 -3.470 1.00 0.00 C ATOM 1080 C ALA A 73 -7.889 -8.408 -3.750 1.00 0.00 C ATOM 1081 O ALA A 73 -8.499 -9.352 -4.256 1.00 0.00 O ATOM 1082 CB ALA A 73 -6.127 -9.791 -2.677 1.00 0.00 C ATOM 0 H ALA A 73 -5.965 -7.479 -1.693 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.872 -8.535 -4.427 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -6.493 -10.651 -3.238 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -5.056 -9.897 -2.507 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.643 -9.737 -1.718 1.00 0.00 H new ATOM 1088 N ARG A 74 -8.479 -7.272 -3.412 1.00 0.00 N ATOM 1089 CA ARG A 74 -9.907 -7.078 -3.631 1.00 0.00 C ATOM 1090 C ARG A 74 -10.262 -7.259 -5.102 1.00 0.00 C ATOM 1091 O ARG A 74 -11.055 -8.134 -5.450 1.00 0.00 O ATOM 1092 CB ARG A 74 -10.297 -5.676 -3.157 1.00 0.00 C ATOM 1093 CG ARG A 74 -10.388 -5.665 -1.629 1.00 0.00 C ATOM 1094 CD ARG A 74 -10.483 -4.224 -1.136 1.00 0.00 C ATOM 1095 NE ARG A 74 -10.665 -4.187 0.311 1.00 0.00 N ATOM 1096 CZ ARG A 74 -11.836 -4.481 0.866 1.00 0.00 C ATOM 1097 NH1 ARG A 74 -12.855 -4.792 0.112 1.00 0.00 N ATOM 1098 NH2 ARG A 74 -11.969 -4.455 2.165 1.00 0.00 N ATOM 0 H ARG A 74 -7.999 -6.477 -2.989 1.00 0.00 H new ATOM 0 HA ARG A 74 -10.460 -7.825 -3.062 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -9.559 -4.948 -3.494 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -11.253 -5.386 -3.592 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -11.260 -6.231 -1.302 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -9.513 -6.151 -1.198 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -9.578 -3.681 -1.408 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -11.317 -3.721 -1.626 1.00 0.00 H new ATOM 0 HE ARG A 74 -9.879 -3.931 0.908 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -12.752 -4.809 -0.903 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -13.754 -5.018 0.537 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -11.174 -4.209 2.754 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -12.868 -4.681 2.590 1.00 0.00 H new ATOM 1112 N LYS A 75 -9.675 -6.434 -5.971 1.00 0.00 N ATOM 1113 CA LYS A 75 -9.947 -6.520 -7.410 1.00 0.00 C ATOM 1114 C LYS A 75 -8.635 -6.518 -8.196 1.00 0.00 C ATOM 1115 O LYS A 75 -7.639 -7.096 -7.759 1.00 0.00 O ATOM 1116 CB LYS A 75 -10.831 -5.331 -7.853 1.00 0.00 C ATOM 1117 CG LYS A 75 -11.739 -5.744 -9.023 1.00 0.00 C ATOM 1118 CD LYS A 75 -12.690 -4.598 -9.367 1.00 0.00 C ATOM 1119 CE LYS A 75 -13.549 -4.995 -10.571 1.00 0.00 C ATOM 1120 NZ LYS A 75 -14.605 -5.949 -10.133 1.00 0.00 N ATOM 0 H LYS A 75 -9.013 -5.704 -5.708 1.00 0.00 H new ATOM 0 HA LYS A 75 -10.477 -7.451 -7.613 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.439 -4.990 -7.015 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -10.201 -4.493 -8.152 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -11.134 -6.001 -9.893 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -12.309 -6.635 -8.757 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -13.326 -4.369 -8.512 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -12.123 -3.695 -9.593 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -14.005 -4.110 -11.014 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -12.927 -5.452 -11.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -15.270 -6.114 -10.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -14.166 -6.850 -9.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -15.118 -5.550 -9.321 1.00 0.00 H new ATOM 1134 N MET A 76 -8.648 -5.872 -9.359 1.00 0.00 N ATOM 1135 CA MET A 76 -7.464 -5.804 -10.202 1.00 0.00 C ATOM 1136 C MET A 76 -7.142 -7.189 -10.763 1.00 0.00 C ATOM 1137 O MET A 76 -6.141 -7.808 -10.398 1.00 0.00 O ATOM 1138 CB MET A 76 -6.277 -5.253 -9.386 1.00 0.00 C ATOM 1139 CG MET A 76 -5.318 -4.481 -10.301 1.00 0.00 C ATOM 1140 SD MET A 76 -4.917 -5.493 -11.749 1.00 0.00 S ATOM 1141 CE MET A 76 -4.774 -4.142 -12.946 1.00 0.00 C ATOM 0 H MET A 76 -9.464 -5.390 -9.736 1.00 0.00 H new ATOM 0 HA MET A 76 -7.652 -5.132 -11.039 1.00 0.00 H new ATOM 0 HB2 MET A 76 -6.643 -4.598 -8.595 1.00 0.00 H new ATOM 0 HB3 MET A 76 -5.748 -6.073 -8.901 1.00 0.00 H new ATOM 0 HG2 MET A 76 -5.775 -3.543 -10.615 1.00 0.00 H new ATOM 0 HG3 MET A 76 -4.407 -4.226 -9.759 1.00 0.00 H new ATOM 0 HE1 MET A 76 -4.526 -4.549 -13.926 1.00 0.00 H new ATOM 0 HE2 MET A 76 -5.721 -3.606 -13.004 1.00 0.00 H new ATOM 0 HE3 MET A 76 -3.988 -3.457 -12.629 1.00 0.00 H new ATOM 1151 N LYS A 77 -8.005 -7.667 -11.657 1.00 0.00 N ATOM 1152 CA LYS A 77 -7.817 -8.979 -12.268 1.00 0.00 C ATOM 1153 C LYS A 77 -7.408 -10.009 -11.216 1.00 0.00 C ATOM 1154 O LYS A 77 -7.530 -9.708 -10.041 1.00 0.00 O ATOM 1155 CB LYS A 77 -6.744 -8.895 -13.369 1.00 0.00 C ATOM 1156 CG LYS A 77 -7.336 -8.281 -14.654 1.00 0.00 C ATOM 1157 CD LYS A 77 -7.999 -9.375 -15.507 1.00 0.00 C ATOM 1158 CE LYS A 77 -8.794 -8.737 -16.651 1.00 0.00 C ATOM 1159 NZ LYS A 77 -7.856 -8.201 -17.676 1.00 0.00 N ATOM 1160 OXT LYS A 77 -6.984 -11.085 -11.603 1.00 0.00 O ATOM 0 H LYS A 77 -8.837 -7.168 -11.972 1.00 0.00 H new ATOM 0 HA LYS A 77 -8.761 -9.295 -12.711 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -5.906 -8.290 -13.023 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -6.353 -9.890 -13.581 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -8.069 -7.516 -14.396 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -6.550 -7.789 -15.227 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -7.239 -10.044 -15.910 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -8.660 -9.981 -14.887 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -9.457 -9.475 -17.102 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -9.424 -7.935 -16.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -8.399 -7.784 -18.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -7.252 -7.472 -17.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -7.261 -8.973 -18.040 1.00 0.00 H new TER 1174 LYS A 77 ATOM 1175 N GLY B 45 -17.514 8.715 -3.482 1.00 0.00 N ATOM 1176 CA GLY B 45 -17.787 7.267 -3.711 1.00 0.00 C ATOM 1177 C GLY B 45 -16.481 6.482 -3.620 1.00 0.00 C ATOM 1178 O GLY B 45 -15.839 6.451 -2.569 1.00 0.00 O ATOM 0 HA2 GLY B 45 -18.497 6.899 -2.971 1.00 0.00 H new ATOM 0 HA3 GLY B 45 -18.243 7.122 -4.690 1.00 0.00 H new ATOM 1184 N THR B 46 -16.091 5.849 -4.725 1.00 0.00 N ATOM 1185 CA THR B 46 -14.857 5.068 -4.748 1.00 0.00 C ATOM 1186 C THR B 46 -13.651 5.980 -4.956 1.00 0.00 C ATOM 1187 O THR B 46 -13.797 7.148 -5.319 1.00 0.00 O ATOM 1188 CB THR B 46 -14.903 4.026 -5.871 1.00 0.00 C ATOM 1189 OG1 THR B 46 -14.940 4.686 -7.129 1.00 0.00 O ATOM 1190 CG2 THR B 46 -16.147 3.150 -5.715 1.00 0.00 C ATOM 0 H THR B 46 -16.605 5.861 -5.606 1.00 0.00 H new ATOM 0 HA THR B 46 -14.762 4.559 -3.789 1.00 0.00 H new ATOM 0 HB THR B 46 -14.014 3.398 -5.816 1.00 0.00 H new ATOM 0 HG1 THR B 46 -14.968 4.020 -7.847 1.00 0.00 H new ATOM 0 HG21 THR B 46 -16.175 2.411 -6.516 1.00 0.00 H new ATOM 0 HG22 THR B 46 -16.115 2.640 -4.752 1.00 0.00 H new ATOM 0 HG23 THR B 46 -17.040 3.773 -5.766 1.00 0.00 H new ATOM 1198 N GLY B 47 -12.459 5.436 -4.724 1.00 0.00 N ATOM 1199 CA GLY B 47 -11.224 6.199 -4.884 1.00 0.00 C ATOM 1200 C GLY B 47 -10.130 5.633 -3.984 1.00 0.00 C ATOM 1201 O GLY B 47 -8.938 5.809 -4.244 1.00 0.00 O ATOM 0 H GLY B 47 -12.322 4.471 -4.425 1.00 0.00 H new ATOM 0 HA2 GLY B 47 -10.901 6.167 -5.925 1.00 0.00 H new ATOM 0 HA3 GLY B 47 -11.401 7.246 -4.638 1.00 0.00 H new ATOM 1205 N ALA B 48 -10.551 4.962 -2.919 1.00 0.00 N ATOM 1206 CA ALA B 48 -9.620 4.374 -1.961 1.00 0.00 C ATOM 1207 C ALA B 48 -8.749 3.292 -2.606 1.00 0.00 C ATOM 1208 O ALA B 48 -7.531 3.271 -2.418 1.00 0.00 O ATOM 1209 CB ALA B 48 -10.411 3.772 -0.797 1.00 0.00 C ATOM 0 H ALA B 48 -11.535 4.811 -2.696 1.00 0.00 H new ATOM 0 HA ALA B 48 -8.958 5.162 -1.603 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -9.721 3.331 -0.078 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -10.993 4.554 -0.309 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -11.083 3.001 -1.174 1.00 0.00 H new ATOM 1215 N ALA B 49 -9.377 2.390 -3.357 1.00 0.00 N ATOM 1216 CA ALA B 49 -8.639 1.306 -4.007 1.00 0.00 C ATOM 1217 C ALA B 49 -7.678 1.853 -5.056 1.00 0.00 C ATOM 1218 O ALA B 49 -6.554 1.366 -5.196 1.00 0.00 O ATOM 1219 CB ALA B 49 -9.617 0.332 -4.665 1.00 0.00 C ATOM 0 H ALA B 49 -10.382 2.386 -3.530 1.00 0.00 H new ATOM 0 HA ALA B 49 -8.060 0.784 -3.246 1.00 0.00 H new ATOM 0 HB1 ALA B 49 -9.061 -0.472 -5.147 1.00 0.00 H new ATOM 0 HB2 ALA B 49 -10.278 -0.088 -3.907 1.00 0.00 H new ATOM 0 HB3 ALA B 49 -10.210 0.861 -5.411 1.00 0.00 H new ATOM 1225 N LEU B 50 -8.125 2.864 -5.790 1.00 0.00 N ATOM 1226 CA LEU B 50 -7.297 3.472 -6.825 1.00 0.00 C ATOM 1227 C LEU B 50 -6.052 4.098 -6.209 1.00 0.00 C ATOM 1228 O LEU B 50 -4.948 3.961 -6.735 1.00 0.00 O ATOM 1229 CB LEU B 50 -8.107 4.543 -7.564 1.00 0.00 C ATOM 1230 CG LEU B 50 -7.240 5.259 -8.611 1.00 0.00 C ATOM 1231 CD1 LEU B 50 -6.639 4.239 -9.592 1.00 0.00 C ATOM 1232 CD2 LEU B 50 -8.113 6.258 -9.377 1.00 0.00 C ATOM 0 H LEU B 50 -9.051 3.279 -5.689 1.00 0.00 H new ATOM 0 HA LEU B 50 -6.986 2.700 -7.529 1.00 0.00 H new ATOM 0 HB2 LEU B 50 -8.967 4.083 -8.051 1.00 0.00 H new ATOM 0 HB3 LEU B 50 -8.495 5.269 -6.850 1.00 0.00 H new ATOM 0 HG LEU B 50 -6.425 5.782 -8.110 1.00 0.00 H new ATOM 0 HD11 LEU B 50 -6.027 4.760 -10.329 1.00 0.00 H new ATOM 0 HD12 LEU B 50 -6.021 3.528 -9.044 1.00 0.00 H new ATOM 0 HD13 LEU B 50 -7.443 3.706 -10.100 1.00 0.00 H new ATOM 0 HD21 LEU B 50 -7.508 6.773 -10.123 1.00 0.00 H new ATOM 0 HD22 LEU B 50 -8.925 5.726 -9.872 1.00 0.00 H new ATOM 0 HD23 LEU B 50 -8.528 6.987 -8.681 1.00 0.00 H new ATOM 1244 N SER B 51 -6.244 4.790 -5.092 1.00 0.00 N ATOM 1245 CA SER B 51 -5.136 5.440 -4.406 1.00 0.00 C ATOM 1246 C SER B 51 -4.118 4.403 -3.951 1.00 0.00 C ATOM 1247 O SER B 51 -2.910 4.601 -4.081 1.00 0.00 O ATOM 1248 CB SER B 51 -5.662 6.203 -3.192 1.00 0.00 C ATOM 1249 OG SER B 51 -6.307 5.294 -2.310 1.00 0.00 O ATOM 0 H SER B 51 -7.152 4.915 -4.645 1.00 0.00 H new ATOM 0 HA SER B 51 -4.653 6.134 -5.094 1.00 0.00 H new ATOM 0 HB2 SER B 51 -4.841 6.705 -2.679 1.00 0.00 H new ATOM 0 HB3 SER B 51 -6.360 6.977 -3.509 1.00 0.00 H new ATOM 0 HG SER B 51 -6.702 4.561 -2.827 1.00 0.00 H new ATOM 1255 N TRP B 52 -4.622 3.298 -3.417 1.00 0.00 N ATOM 1256 CA TRP B 52 -3.757 2.226 -2.941 1.00 0.00 C ATOM 1257 C TRP B 52 -2.976 1.615 -4.108 1.00 0.00 C ATOM 1258 O TRP B 52 -1.765 1.420 -4.019 1.00 0.00 O ATOM 1259 CB TRP B 52 -4.618 1.145 -2.248 1.00 0.00 C ATOM 1260 CG TRP B 52 -4.700 1.398 -0.772 1.00 0.00 C ATOM 1261 CD1 TRP B 52 -5.842 1.598 -0.074 1.00 0.00 C ATOM 1262 CD2 TRP B 52 -3.613 1.476 0.194 1.00 0.00 C ATOM 1263 NE1 TRP B 52 -5.525 1.785 1.260 1.00 0.00 N ATOM 1264 CE2 TRP B 52 -4.162 1.719 1.476 1.00 0.00 C ATOM 1265 CE3 TRP B 52 -2.216 1.358 0.082 1.00 0.00 C ATOM 1266 CZ2 TRP B 52 -3.353 1.839 2.608 1.00 0.00 C ATOM 1267 CZ3 TRP B 52 -1.397 1.479 1.216 1.00 0.00 C ATOM 1268 CH2 TRP B 52 -1.962 1.717 2.477 1.00 0.00 C ATOM 0 H TRP B 52 -5.620 3.121 -3.303 1.00 0.00 H new ATOM 0 HA TRP B 52 -3.041 2.631 -2.226 1.00 0.00 H new ATOM 0 HB2 TRP B 52 -5.620 1.141 -2.677 1.00 0.00 H new ATOM 0 HB3 TRP B 52 -4.189 0.160 -2.430 1.00 0.00 H new ATOM 0 HD1 TRP B 52 -6.838 1.610 -0.490 1.00 0.00 H new ATOM 0 HE1 TRP B 52 -6.213 1.951 1.994 1.00 0.00 H new ATOM 0 HE3 TRP B 52 -1.770 1.173 -0.884 1.00 0.00 H new ATOM 0 HZ2 TRP B 52 -3.795 2.024 3.576 1.00 0.00 H new ATOM 0 HZ3 TRP B 52 -0.325 1.388 1.116 1.00 0.00 H new ATOM 0 HH2 TRP B 52 -1.327 1.806 3.346 1.00 0.00 H new ATOM 1279 N GLN B 53 -3.679 1.307 -5.192 1.00 0.00 N ATOM 1280 CA GLN B 53 -3.042 0.710 -6.362 1.00 0.00 C ATOM 1281 C GLN B 53 -2.079 1.687 -7.034 1.00 0.00 C ATOM 1282 O GLN B 53 -0.999 1.297 -7.478 1.00 0.00 O ATOM 1283 CB GLN B 53 -4.111 0.270 -7.367 1.00 0.00 C ATOM 1284 CG GLN B 53 -4.901 -0.912 -6.797 1.00 0.00 C ATOM 1285 CD GLN B 53 -4.018 -2.155 -6.728 1.00 0.00 C ATOM 1286 OE1 GLN B 53 -3.289 -2.347 -5.754 1.00 0.00 O ATOM 1287 NE2 GLN B 53 -4.039 -3.016 -7.711 1.00 0.00 N ATOM 0 H GLN B 53 -4.683 1.459 -5.286 1.00 0.00 H new ATOM 0 HA GLN B 53 -2.470 -0.155 -6.027 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -4.784 1.100 -7.583 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -3.643 -0.014 -8.310 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -5.271 -0.665 -5.802 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -5.772 -1.111 -7.421 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -4.643 -2.855 -8.517 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -3.451 -3.849 -7.672 1.00 0.00 H new ATOM 1296 N ALA B 54 -2.475 2.954 -7.117 1.00 0.00 N ATOM 1297 CA ALA B 54 -1.634 3.964 -7.752 1.00 0.00 C ATOM 1298 C ALA B 54 -0.312 4.128 -7.005 1.00 0.00 C ATOM 1299 O ALA B 54 0.745 4.260 -7.624 1.00 0.00 O ATOM 1300 CB ALA B 54 -2.369 5.307 -7.787 1.00 0.00 C ATOM 0 H ALA B 54 -3.363 3.303 -6.757 1.00 0.00 H new ATOM 0 HA ALA B 54 -1.419 3.634 -8.768 1.00 0.00 H new ATOM 0 HB1 ALA B 54 -1.736 6.056 -8.262 1.00 0.00 H new ATOM 0 HB2 ALA B 54 -3.294 5.201 -8.354 1.00 0.00 H new ATOM 0 HB3 ALA B 54 -2.602 5.621 -6.769 1.00 0.00 H new ATOM 1306 N ALA B 55 -0.375 4.122 -5.678 1.00 0.00 N ATOM 1307 CA ALA B 55 0.828 4.275 -4.866 1.00 0.00 C ATOM 1308 C ALA B 55 1.759 3.078 -5.048 1.00 0.00 C ATOM 1309 O ALA B 55 2.977 3.235 -5.141 1.00 0.00 O ATOM 1310 CB ALA B 55 0.445 4.406 -3.392 1.00 0.00 C ATOM 0 H ALA B 55 -1.238 4.014 -5.145 1.00 0.00 H new ATOM 0 HA ALA B 55 1.350 5.175 -5.190 1.00 0.00 H new ATOM 0 HB1 ALA B 55 1.347 4.520 -2.790 1.00 0.00 H new ATOM 0 HB2 ALA B 55 -0.193 5.279 -3.258 1.00 0.00 H new ATOM 0 HB3 ALA B 55 -0.092 3.512 -3.075 1.00 0.00 H new ATOM 1316 N ILE B 56 1.176 1.885 -5.096 1.00 0.00 N ATOM 1317 CA ILE B 56 1.957 0.665 -5.269 1.00 0.00 C ATOM 1318 C ILE B 56 2.655 0.661 -6.625 1.00 0.00 C ATOM 1319 O ILE B 56 3.826 0.299 -6.732 1.00 0.00 O ATOM 1320 CB ILE B 56 1.034 -0.555 -5.152 1.00 0.00 C ATOM 1321 CG1 ILE B 56 0.536 -0.678 -3.709 1.00 0.00 C ATOM 1322 CG2 ILE B 56 1.793 -1.829 -5.537 1.00 0.00 C ATOM 1323 CD1 ILE B 56 -0.608 -1.692 -3.645 1.00 0.00 C ATOM 0 H ILE B 56 0.170 1.737 -5.018 1.00 0.00 H new ATOM 0 HA ILE B 56 2.719 0.622 -4.490 1.00 0.00 H new ATOM 0 HB ILE B 56 0.187 -0.427 -5.826 1.00 0.00 H new ATOM 0 HG12 ILE B 56 1.351 -0.993 -3.058 1.00 0.00 H new ATOM 0 HG13 ILE B 56 0.196 0.292 -3.347 1.00 0.00 H new ATOM 0 HG21 ILE B 56 1.128 -2.689 -5.450 1.00 0.00 H new ATOM 0 HG22 ILE B 56 2.146 -1.746 -6.565 1.00 0.00 H new ATOM 0 HG23 ILE B 56 2.645 -1.960 -4.870 1.00 0.00 H new ATOM 0 HD11 ILE B 56 -0.961 -1.778 -2.617 1.00 0.00 H new ATOM 0 HD12 ILE B 56 -1.426 -1.358 -4.283 1.00 0.00 H new ATOM 0 HD13 ILE B 56 -0.253 -2.663 -3.989 1.00 0.00 H new ATOM 1335 N ASP B 57 1.921 1.055 -7.660 1.00 0.00 N ATOM 1336 CA ASP B 57 2.471 1.085 -9.009 1.00 0.00 C ATOM 1337 C ASP B 57 3.633 2.073 -9.090 1.00 0.00 C ATOM 1338 O ASP B 57 4.684 1.763 -9.653 1.00 0.00 O ATOM 1339 CB ASP B 57 1.370 1.489 -9.999 1.00 0.00 C ATOM 1340 CG ASP B 57 0.472 0.292 -10.320 1.00 0.00 C ATOM 1341 OD1 ASP B 57 0.781 -0.800 -9.872 1.00 0.00 O ATOM 1342 OD2 ASP B 57 -0.520 0.489 -11.004 1.00 0.00 O ATOM 0 H ASP B 57 0.949 1.356 -7.591 1.00 0.00 H new ATOM 0 HA ASP B 57 2.844 0.093 -9.263 1.00 0.00 H new ATOM 0 HB2 ASP B 57 0.772 2.297 -9.577 1.00 0.00 H new ATOM 0 HB3 ASP B 57 1.819 1.870 -10.916 1.00 0.00 H new ATOM 1347 N ALA B 58 3.440 3.259 -8.523 1.00 0.00 N ATOM 1348 CA ALA B 58 4.482 4.278 -8.536 1.00 0.00 C ATOM 1349 C ALA B 58 5.654 3.856 -7.652 1.00 0.00 C ATOM 1350 O ALA B 58 6.816 4.091 -7.987 1.00 0.00 O ATOM 1351 CB ALA B 58 3.912 5.615 -8.052 1.00 0.00 C ATOM 0 H ALA B 58 2.579 3.537 -8.052 1.00 0.00 H new ATOM 0 HA ALA B 58 4.844 4.394 -9.558 1.00 0.00 H new ATOM 0 HB1 ALA B 58 4.697 6.371 -8.065 1.00 0.00 H new ATOM 0 HB2 ALA B 58 3.100 5.924 -8.710 1.00 0.00 H new ATOM 0 HB3 ALA B 58 3.533 5.503 -7.036 1.00 0.00 H new ATOM 1357 N ALA B 59 5.339 3.227 -6.522 1.00 0.00 N ATOM 1358 CA ALA B 59 6.372 2.771 -5.600 1.00 0.00 C ATOM 1359 C ALA B 59 7.305 1.789 -6.299 1.00 0.00 C ATOM 1360 O ALA B 59 8.530 1.920 -6.234 1.00 0.00 O ATOM 1361 CB ALA B 59 5.726 2.090 -4.391 1.00 0.00 C ATOM 0 H ALA B 59 4.384 3.023 -6.226 1.00 0.00 H new ATOM 0 HA ALA B 59 6.948 3.634 -5.265 1.00 0.00 H new ATOM 0 HB1 ALA B 59 6.503 1.751 -3.706 1.00 0.00 H new ATOM 0 HB2 ALA B 59 5.075 2.798 -3.879 1.00 0.00 H new ATOM 0 HB3 ALA B 59 5.140 1.234 -4.726 1.00 0.00 H new ATOM 1367 N ARG B 60 6.714 0.813 -6.975 1.00 0.00 N ATOM 1368 CA ARG B 60 7.493 -0.184 -7.691 1.00 0.00 C ATOM 1369 C ARG B 60 8.263 0.460 -8.838 1.00 0.00 C ATOM 1370 O ARG B 60 9.392 0.072 -9.136 1.00 0.00 O ATOM 1371 CB ARG B 60 6.578 -1.279 -8.236 1.00 0.00 C ATOM 1372 CG ARG B 60 6.059 -2.135 -7.079 1.00 0.00 C ATOM 1373 CD ARG B 60 5.276 -3.313 -7.647 1.00 0.00 C ATOM 1374 NE ARG B 60 4.054 -2.836 -8.282 1.00 0.00 N ATOM 1375 CZ ARG B 60 3.296 -3.638 -9.023 1.00 0.00 C ATOM 1376 NH1 ARG B 60 3.663 -4.873 -9.248 1.00 0.00 N ATOM 1377 NH2 ARG B 60 2.185 -3.185 -9.540 1.00 0.00 N ATOM 0 H ARG B 60 5.703 0.692 -7.042 1.00 0.00 H new ATOM 0 HA ARG B 60 8.205 -0.626 -6.994 1.00 0.00 H new ATOM 0 HB2 ARG B 60 5.742 -0.834 -8.776 1.00 0.00 H new ATOM 0 HB3 ARG B 60 7.122 -1.901 -8.947 1.00 0.00 H new ATOM 0 HG2 ARG B 60 6.891 -2.493 -6.473 1.00 0.00 H new ATOM 0 HG3 ARG B 60 5.422 -1.539 -6.426 1.00 0.00 H new ATOM 0 HD2 ARG B 60 5.887 -3.851 -8.372 1.00 0.00 H new ATOM 0 HD3 ARG B 60 5.032 -4.016 -6.851 1.00 0.00 H new ATOM 0 HE ARG B 60 3.774 -1.864 -8.155 1.00 0.00 H new ATOM 0 HH11 ARG B 60 4.535 -5.226 -8.854 1.00 0.00 H new ATOM 0 HH12 ARG B 60 3.077 -5.483 -9.817 1.00 0.00 H new ATOM 0 HH21 ARG B 60 1.902 -2.219 -9.374 1.00 0.00 H new ATOM 0 HH22 ARG B 60 1.601 -3.797 -10.109 1.00 0.00 H new ATOM 1391 N GLN B 61 7.646 1.445 -9.483 1.00 0.00 N ATOM 1392 CA GLN B 61 8.294 2.128 -10.594 1.00 0.00 C ATOM 1393 C GLN B 61 9.637 2.687 -10.137 1.00 0.00 C ATOM 1394 O GLN B 61 10.653 2.531 -10.817 1.00 0.00 O ATOM 1395 CB GLN B 61 7.398 3.268 -11.095 1.00 0.00 C ATOM 1396 CG GLN B 61 8.004 3.901 -12.352 1.00 0.00 C ATOM 1397 CD GLN B 61 7.999 2.894 -13.498 1.00 0.00 C ATOM 1398 OE1 GLN B 61 7.037 2.142 -13.661 1.00 0.00 O ATOM 1399 NE2 GLN B 61 9.023 2.836 -14.309 1.00 0.00 N ATOM 0 H GLN B 61 6.710 1.784 -9.259 1.00 0.00 H new ATOM 0 HA GLN B 61 8.458 1.420 -11.407 1.00 0.00 H new ATOM 0 HB2 GLN B 61 6.401 2.887 -11.315 1.00 0.00 H new ATOM 0 HB3 GLN B 61 7.287 4.022 -10.316 1.00 0.00 H new ATOM 0 HG2 GLN B 61 7.435 4.787 -12.633 1.00 0.00 H new ATOM 0 HG3 GLN B 61 9.024 4.228 -12.149 1.00 0.00 H new ATOM 0 HE21 GLN B 61 9.818 3.460 -14.172 1.00 0.00 H new ATOM 0 HE22 GLN B 61 9.027 2.167 -15.079 1.00 0.00 H new ATOM 1408 N ALA B 62 9.635 3.324 -8.971 1.00 0.00 N ATOM 1409 CA ALA B 62 10.860 3.888 -8.420 1.00 0.00 C ATOM 1410 C ALA B 62 11.836 2.773 -8.059 1.00 0.00 C ATOM 1411 O ALA B 62 13.047 2.915 -8.228 1.00 0.00 O ATOM 1412 CB ALA B 62 10.543 4.719 -7.175 1.00 0.00 C ATOM 0 H ALA B 62 8.805 3.462 -8.394 1.00 0.00 H new ATOM 0 HA ALA B 62 11.317 4.531 -9.172 1.00 0.00 H new ATOM 0 HB1 ALA B 62 11.466 5.136 -6.771 1.00 0.00 H new ATOM 0 HB2 ALA B 62 9.865 5.530 -7.442 1.00 0.00 H new ATOM 0 HB3 ALA B 62 10.072 4.084 -6.424 1.00 0.00 H new ATOM 1418 N LYS B 63 11.298 1.663 -7.557 1.00 0.00 N ATOM 1419 CA LYS B 63 12.132 0.531 -7.173 1.00 0.00 C ATOM 1420 C LYS B 63 12.893 -0.011 -8.378 1.00 0.00 C ATOM 1421 O LYS B 63 14.094 -0.268 -8.303 1.00 0.00 O ATOM 1422 CB LYS B 63 11.253 -0.577 -6.572 1.00 0.00 C ATOM 1423 CG LYS B 63 12.089 -1.812 -6.198 1.00 0.00 C ATOM 1424 CD LYS B 63 13.137 -1.438 -5.142 1.00 0.00 C ATOM 1425 CE LYS B 63 13.666 -2.699 -4.463 1.00 0.00 C ATOM 1426 NZ LYS B 63 14.764 -2.326 -3.528 1.00 0.00 N ATOM 0 H LYS B 63 10.298 1.526 -7.409 1.00 0.00 H new ATOM 0 HA LYS B 63 12.855 0.867 -6.430 1.00 0.00 H new ATOM 0 HB2 LYS B 63 10.743 -0.199 -5.686 1.00 0.00 H new ATOM 0 HB3 LYS B 63 10.481 -0.861 -7.288 1.00 0.00 H new ATOM 0 HG2 LYS B 63 11.439 -2.598 -5.814 1.00 0.00 H new ATOM 0 HG3 LYS B 63 12.581 -2.210 -7.085 1.00 0.00 H new ATOM 0 HD2 LYS B 63 13.958 -0.895 -5.609 1.00 0.00 H new ATOM 0 HD3 LYS B 63 12.696 -0.773 -4.400 1.00 0.00 H new ATOM 0 HE2 LYS B 63 12.864 -3.198 -3.920 1.00 0.00 H new ATOM 0 HE3 LYS B 63 14.032 -3.403 -5.210 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 15.129 -3.181 -3.062 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 15.531 -1.867 -4.059 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 14.400 -1.669 -2.809 1.00 0.00 H new ATOM 1440 N LEU B 64 12.181 -0.194 -9.483 1.00 0.00 N ATOM 1441 CA LEU B 64 12.792 -0.720 -10.696 1.00 0.00 C ATOM 1442 C LEU B 64 13.861 0.233 -11.221 1.00 0.00 C ATOM 1443 O LEU B 64 14.939 -0.198 -11.633 1.00 0.00 O ATOM 1444 CB LEU B 64 11.709 -0.927 -11.761 1.00 0.00 C ATOM 1445 CG LEU B 64 10.761 -2.060 -11.332 1.00 0.00 C ATOM 1446 CD1 LEU B 64 9.515 -2.038 -12.222 1.00 0.00 C ATOM 1447 CD2 LEU B 64 11.457 -3.432 -11.462 1.00 0.00 C ATOM 0 H LEU B 64 11.185 0.013 -9.564 1.00 0.00 H new ATOM 0 HA LEU B 64 13.268 -1.673 -10.465 1.00 0.00 H new ATOM 0 HB2 LEU B 64 11.146 -0.005 -11.903 1.00 0.00 H new ATOM 0 HB3 LEU B 64 12.170 -1.170 -12.718 1.00 0.00 H new ATOM 0 HG LEU B 64 10.481 -1.908 -10.290 1.00 0.00 H new ATOM 0 HD11 LEU B 64 8.840 -2.839 -11.922 1.00 0.00 H new ATOM 0 HD12 LEU B 64 9.009 -1.078 -12.116 1.00 0.00 H new ATOM 0 HD13 LEU B 64 9.808 -2.181 -13.262 1.00 0.00 H new ATOM 0 HD21 LEU B 64 10.769 -4.219 -11.154 1.00 0.00 H new ATOM 0 HD22 LEU B 64 11.752 -3.593 -12.499 1.00 0.00 H new ATOM 0 HD23 LEU B 64 12.342 -3.453 -10.825 1.00 0.00 H new ATOM 1459 N MET B 65 13.560 1.527 -11.208 1.00 0.00 N ATOM 1460 CA MET B 65 14.507 2.529 -11.688 1.00 0.00 C ATOM 1461 C MET B 65 15.723 2.619 -10.766 1.00 0.00 C ATOM 1462 O MET B 65 16.850 2.799 -11.229 1.00 0.00 O ATOM 1463 CB MET B 65 13.817 3.891 -11.778 1.00 0.00 C ATOM 1464 CG MET B 65 12.723 3.848 -12.852 1.00 0.00 C ATOM 1465 SD MET B 65 13.467 3.610 -14.488 1.00 0.00 S ATOM 1466 CE MET B 65 14.313 5.207 -14.604 1.00 0.00 C ATOM 0 H MET B 65 12.674 1.906 -10.873 1.00 0.00 H new ATOM 0 HA MET B 65 14.852 2.231 -12.678 1.00 0.00 H new ATOM 0 HB2 MET B 65 13.383 4.153 -10.813 1.00 0.00 H new ATOM 0 HB3 MET B 65 14.547 4.664 -12.020 1.00 0.00 H new ATOM 0 HG2 MET B 65 12.025 3.038 -12.640 1.00 0.00 H new ATOM 0 HG3 MET B 65 12.150 4.775 -12.836 1.00 0.00 H new ATOM 0 HE1 MET B 65 14.119 5.651 -15.580 1.00 0.00 H new ATOM 0 HE2 MET B 65 13.944 5.872 -13.823 1.00 0.00 H new ATOM 0 HE3 MET B 65 15.386 5.060 -14.479 1.00 0.00 H new ATOM 1476 N GLY B 66 15.491 2.484 -9.462 1.00 0.00 N ATOM 1477 CA GLY B 66 16.580 2.543 -8.490 1.00 0.00 C ATOM 1478 C GLY B 66 16.959 3.983 -8.147 1.00 0.00 C ATOM 1479 O GLY B 66 18.068 4.246 -7.677 1.00 0.00 O ATOM 0 H GLY B 66 14.567 2.334 -9.057 1.00 0.00 H new ATOM 0 HA2 GLY B 66 16.284 2.019 -7.581 1.00 0.00 H new ATOM 0 HA3 GLY B 66 17.451 2.023 -8.889 1.00 0.00 H new ATOM 1483 N SER B 67 16.039 4.916 -8.380 1.00 0.00 N ATOM 1484 CA SER B 67 16.305 6.321 -8.086 1.00 0.00 C ATOM 1485 C SER B 67 16.256 6.576 -6.580 1.00 0.00 C ATOM 1486 O SER B 67 15.697 5.782 -5.824 1.00 0.00 O ATOM 1487 CB SER B 67 15.275 7.209 -8.785 1.00 0.00 C ATOM 1488 OG SER B 67 13.968 6.746 -8.474 1.00 0.00 O ATOM 0 H SER B 67 15.114 4.728 -8.767 1.00 0.00 H new ATOM 0 HA SER B 67 17.302 6.562 -8.453 1.00 0.00 H new ATOM 0 HB2 SER B 67 15.393 8.244 -8.464 1.00 0.00 H new ATOM 0 HB3 SER B 67 15.433 7.190 -9.863 1.00 0.00 H new ATOM 0 HG SER B 67 13.305 7.314 -8.919 1.00 0.00 H new ATOM 1494 N ALA B 68 16.844 7.691 -6.154 1.00 0.00 N ATOM 1495 CA ALA B 68 16.862 8.045 -4.738 1.00 0.00 C ATOM 1496 C ALA B 68 17.524 6.945 -3.916 1.00 0.00 C ATOM 1497 O ALA B 68 18.732 6.998 -3.756 1.00 0.00 O ATOM 1498 CB ALA B 68 15.435 8.271 -4.236 1.00 0.00 C ATOM 1499 OXT ALA B 68 16.813 6.067 -3.455 1.00 0.00 O ATOM 0 H ALA B 68 17.311 8.361 -6.765 1.00 0.00 H new ATOM 0 HA ALA B 68 17.437 8.964 -4.622 1.00 0.00 H new ATOM 0 HB1 ALA B 68 15.459 8.535 -3.179 1.00 0.00 H new ATOM 0 HB2 ALA B 68 14.974 9.081 -4.802 1.00 0.00 H new ATOM 0 HB3 ALA B 68 14.854 7.359 -4.370 1.00 0.00 H new TER 1505 ALA B 68 HETATM 1506 CA CA A 101 4.251 2.148 11.572 1.00 0.00 CA HETATM 1507 CA CA A 102 -4.659 -2.209 12.490 1.00 0.00 CA