USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 623 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 24 GLN : amide:sc= -2.14 K(o=-2.1,f=-8.8!) USER MOD Set 1.2: A 87 GLN : amide:sc= 0 K(o=-2.1,f=-3.4!) USER MOD Set 2.1: A 44 LYS NZ :NH3+ 177:sc= -0.0547 (180deg=-0.00718) USER MOD Set 2.2: A 54 MET CE :methyl -148:sc= -0.445 (180deg=-1.91!) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.0061) USER MOD Single : A 16 HIS : no HD1:sc= -0.27 X(o=-0.27,f=-0.019) USER MOD Single : A 18 ASN : amide:sc= -0.768 K(o=-0.77,f=-5.3!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= -0.151 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= -3.18! K(o=-3.2!,f=-0.65) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.238 USER MOD Single : A 40 SER OG : rot 61:sc= 0.569 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 175:sc= -4.39! (180deg=-4.59!) USER MOD Single : A 46 TYR OH : rot 30:sc= -0.664 USER MOD Single : A 47 SER OG : rot -165:sc= -0.779 USER MOD Single : A 50 GLN : amide:sc= -0.164 X(o=-0.16,f=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -1.67 X(o=-1.7,f=-1.3) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.908 USER MOD Single : A 74 GLN : amide:sc= -2.78 K(o=-2.8,f=-5.9!) USER MOD Single : A 77 MET CE :methyl 175:sc= 0 (180deg=-0.0341) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.796 K(o=-0.8,f=-4.8!) USER MOD Single : A 89 GLN : amide:sc= -0.0015 X(o=-0.0015,f=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.0579 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 14 -21.383 0.062 1.159 1.00 0.00 N ATOM 2 CA ASN A 14 -19.997 0.033 1.703 1.00 0.00 C ATOM 3 C ASN A 14 -19.208 -1.147 1.142 1.00 0.00 C ATOM 4 O ASN A 14 -19.773 -2.208 0.867 1.00 0.00 O ATOM 5 CB ASN A 14 -20.063 -0.058 3.234 1.00 0.00 C ATOM 6 CG ASN A 14 -19.608 1.223 3.911 1.00 0.00 C ATOM 7 OD1 ASN A 14 -20.097 2.309 3.600 1.00 0.00 O ATOM 8 ND2 ASN A 14 -18.667 1.104 4.844 1.00 0.00 N ATOM 0 HA ASN A 14 -19.483 0.947 1.406 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -21.085 -0.283 3.538 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -19.440 -0.886 3.573 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -18.325 1.932 5.331 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -18.288 0.185 5.072 1.00 0.00 H new ATOM 17 N ASP A 15 -17.900 -0.951 0.977 1.00 0.00 N ATOM 18 CA ASP A 15 -17.022 -1.994 0.450 1.00 0.00 C ATOM 19 C ASP A 15 -15.603 -1.839 0.994 1.00 0.00 C ATOM 20 O ASP A 15 -15.125 -0.722 1.200 1.00 0.00 O ATOM 21 CB ASP A 15 -17.002 -1.950 -1.082 1.00 0.00 C ATOM 22 CG ASP A 15 -18.095 -2.800 -1.704 1.00 0.00 C ATOM 23 OD1 ASP A 15 -17.960 -4.042 -1.695 1.00 0.00 O ATOM 24 OD2 ASP A 15 -19.085 -2.223 -2.202 1.00 0.00 O ATOM 0 H ASP A 15 -17.425 -0.077 1.202 1.00 0.00 H new ATOM 0 HA ASP A 15 -17.412 -2.959 0.773 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -17.116 -0.918 -1.414 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -16.031 -2.294 -1.439 1.00 0.00 H new ATOM 29 N HIS A 16 -14.933 -2.969 1.220 1.00 0.00 N ATOM 30 CA HIS A 16 -13.566 -2.967 1.734 1.00 0.00 C ATOM 31 C HIS A 16 -12.642 -3.750 0.804 1.00 0.00 C ATOM 32 O HIS A 16 -12.816 -4.955 0.619 1.00 0.00 O ATOM 33 CB HIS A 16 -13.527 -3.571 3.141 1.00 0.00 C ATOM 34 CG HIS A 16 -13.740 -2.572 4.238 1.00 0.00 C ATOM 35 ND1 HIS A 16 -14.435 -2.861 5.394 1.00 0.00 N ATOM 36 CD2 HIS A 16 -13.338 -1.283 4.357 1.00 0.00 C ATOM 37 CE1 HIS A 16 -14.450 -1.795 6.175 1.00 0.00 C ATOM 38 NE2 HIS A 16 -13.792 -0.825 5.570 1.00 0.00 N ATOM 0 H HIS A 16 -15.317 -3.899 1.054 1.00 0.00 H new ATOM 0 HA HIS A 16 -13.219 -1.935 1.782 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -14.291 -4.345 3.215 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -12.564 -4.059 3.290 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -12.767 -0.721 3.633 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -14.921 -1.729 7.145 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -13.644 0.113 5.942 1.00 0.00 H new ATOM 47 N ILE A 17 -11.662 -3.060 0.220 1.00 0.00 N ATOM 48 CA ILE A 17 -10.713 -3.696 -0.694 1.00 0.00 C ATOM 49 C ILE A 17 -9.535 -4.306 0.070 1.00 0.00 C ATOM 50 O ILE A 17 -8.771 -3.595 0.726 1.00 0.00 O ATOM 51 CB ILE A 17 -10.186 -2.704 -1.762 1.00 0.00 C ATOM 52 CG1 ILE A 17 -9.423 -1.548 -1.103 1.00 0.00 C ATOM 53 CG2 ILE A 17 -11.338 -2.177 -2.612 1.00 0.00 C ATOM 54 CD1 ILE A 17 -9.109 -0.406 -2.046 1.00 0.00 C ATOM 0 H ILE A 17 -11.505 -2.062 0.363 1.00 0.00 H new ATOM 0 HA ILE A 17 -11.255 -4.491 -1.205 1.00 0.00 H new ATOM 0 HB ILE A 17 -9.493 -3.236 -2.413 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -10.011 -1.166 -0.268 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.491 -1.931 -0.688 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -10.952 -1.482 -3.357 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -11.831 -3.010 -3.114 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -12.056 -1.662 -1.973 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -8.569 0.373 -1.507 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -8.494 -0.772 -2.868 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -10.038 0.004 -2.442 1.00 0.00 H new ATOM 66 N ASN A 18 -9.397 -5.630 -0.017 1.00 0.00 N ATOM 67 CA ASN A 18 -8.316 -6.338 0.671 1.00 0.00 C ATOM 68 C ASN A 18 -7.071 -6.444 -0.215 1.00 0.00 C ATOM 69 O ASN A 18 -6.928 -7.375 -1.010 1.00 0.00 O ATOM 70 CB ASN A 18 -8.786 -7.728 1.133 1.00 0.00 C ATOM 71 CG ASN A 18 -9.209 -8.646 -0.005 1.00 0.00 C ATOM 72 OD1 ASN A 18 -9.446 -8.206 -1.125 1.00 0.00 O ATOM 73 ND2 ASN A 18 -9.308 -9.935 0.285 1.00 0.00 N ATOM 0 H ASN A 18 -10.019 -6.233 -0.556 1.00 0.00 H new ATOM 0 HA ASN A 18 -8.043 -5.760 1.554 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -7.981 -8.206 1.692 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -9.624 -7.608 1.820 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -9.590 -10.600 -0.436 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -9.102 -10.263 1.229 1.00 0.00 H new ATOM 80 N LEU A 19 -6.172 -5.470 -0.072 1.00 0.00 N ATOM 81 CA LEU A 19 -4.939 -5.434 -0.853 1.00 0.00 C ATOM 82 C LEU A 19 -3.786 -6.109 -0.108 1.00 0.00 C ATOM 83 O LEU A 19 -3.492 -5.773 1.042 1.00 0.00 O ATOM 84 CB LEU A 19 -4.578 -3.985 -1.189 1.00 0.00 C ATOM 85 CG LEU A 19 -5.169 -3.458 -2.500 1.00 0.00 C ATOM 86 CD1 LEU A 19 -6.692 -3.528 -2.474 1.00 0.00 C ATOM 87 CD2 LEU A 19 -4.700 -2.034 -2.757 1.00 0.00 C ATOM 0 H LEU A 19 -6.277 -4.693 0.581 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.106 -5.988 -1.777 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.913 -3.344 -0.373 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.492 -3.899 -1.237 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.816 -4.090 -3.315 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.090 -3.149 -3.415 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.006 -4.563 -2.338 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.070 -2.923 -1.650 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.128 -1.673 -3.692 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.023 -1.391 -1.938 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.612 -2.016 -2.825 1.00 0.00 H new ATOM 99 N LYS A 20 -3.141 -7.063 -0.777 1.00 0.00 N ATOM 100 CA LYS A 20 -2.017 -7.798 -0.195 1.00 0.00 C ATOM 101 C LYS A 20 -0.713 -7.024 -0.372 1.00 0.00 C ATOM 102 O LYS A 20 -0.381 -6.607 -1.483 1.00 0.00 O ATOM 103 CB LYS A 20 -1.892 -9.179 -0.851 1.00 0.00 C ATOM 104 CG LYS A 20 -3.171 -10.002 -0.805 1.00 0.00 C ATOM 105 CD LYS A 20 -3.317 -10.742 0.515 1.00 0.00 C ATOM 106 CE LYS A 20 -4.038 -12.069 0.332 1.00 0.00 C ATOM 107 NZ LYS A 20 -3.093 -13.221 0.325 1.00 0.00 N ATOM 0 H LYS A 20 -3.378 -7.347 -1.727 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.207 -7.921 0.871 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.592 -9.050 -1.891 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.096 -9.735 -0.356 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.030 -9.348 -0.952 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.172 -10.719 -1.626 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.331 -10.918 0.946 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.868 -10.122 1.222 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.764 -12.201 1.134 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.596 -12.052 -0.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.625 -14.106 0.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.415 -13.109 -0.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.578 -13.253 1.228 1.00 0.00 H new ATOM 121 N VAL A 21 0.025 -6.832 0.721 1.00 0.00 N ATOM 122 CA VAL A 21 1.293 -6.103 0.670 1.00 0.00 C ATOM 123 C VAL A 21 2.481 -7.038 0.891 1.00 0.00 C ATOM 124 O VAL A 21 2.649 -7.600 1.976 1.00 0.00 O ATOM 125 CB VAL A 21 1.345 -4.968 1.717 1.00 0.00 C ATOM 126 CG1 VAL A 21 2.587 -4.108 1.516 1.00 0.00 C ATOM 127 CG2 VAL A 21 0.087 -4.112 1.655 1.00 0.00 C ATOM 0 H VAL A 21 -0.231 -7.169 1.649 1.00 0.00 H new ATOM 0 HA VAL A 21 1.357 -5.666 -0.327 1.00 0.00 H new ATOM 0 HB VAL A 21 1.397 -5.424 2.706 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.605 -3.315 2.263 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.479 -4.726 1.622 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.567 -3.667 0.519 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.148 -3.320 2.402 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.003 -3.669 0.663 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.786 -4.733 1.856 1.00 0.00 H new ATOM 137 N ALA A 22 3.305 -7.192 -0.145 1.00 0.00 N ATOM 138 CA ALA A 22 4.485 -8.048 -0.073 1.00 0.00 C ATOM 139 C ALA A 22 5.755 -7.216 0.091 1.00 0.00 C ATOM 140 O ALA A 22 6.068 -6.374 -0.751 1.00 0.00 O ATOM 141 CB ALA A 22 4.582 -8.917 -1.318 1.00 0.00 C ATOM 0 H ALA A 22 3.175 -6.733 -1.046 1.00 0.00 H new ATOM 0 HA ALA A 22 4.385 -8.692 0.801 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.466 -9.551 -1.251 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.693 -9.542 -1.395 1.00 0.00 H new ATOM 0 HB3 ALA A 22 4.657 -8.281 -2.200 1.00 0.00 H new ATOM 147 N GLY A 23 6.481 -7.457 1.181 1.00 0.00 N ATOM 148 CA GLY A 23 7.709 -6.724 1.440 1.00 0.00 C ATOM 149 C GLY A 23 8.890 -7.265 0.656 1.00 0.00 C ATOM 150 O GLY A 23 9.000 -8.474 0.444 1.00 0.00 O ATOM 0 H GLY A 23 6.239 -8.149 1.891 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.561 -5.674 1.188 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.935 -6.767 2.505 1.00 0.00 H new ATOM 154 N GLN A 24 9.779 -6.366 0.230 1.00 0.00 N ATOM 155 CA GLN A 24 10.968 -6.755 -0.532 1.00 0.00 C ATOM 156 C GLN A 24 11.795 -7.809 0.213 1.00 0.00 C ATOM 157 O GLN A 24 12.412 -8.674 -0.411 1.00 0.00 O ATOM 158 CB GLN A 24 11.833 -5.526 -0.847 1.00 0.00 C ATOM 159 CG GLN A 24 12.630 -4.995 0.339 1.00 0.00 C ATOM 160 CD GLN A 24 11.758 -4.344 1.400 1.00 0.00 C ATOM 161 OE1 GLN A 24 10.730 -3.745 1.095 1.00 0.00 O ATOM 162 NE2 GLN A 24 12.170 -4.458 2.655 1.00 0.00 N ATOM 0 H GLN A 24 9.699 -5.363 0.400 1.00 0.00 H new ATOM 0 HA GLN A 24 10.628 -7.197 -1.468 1.00 0.00 H new ATOM 0 HB2 GLN A 24 12.525 -5.780 -1.650 1.00 0.00 H new ATOM 0 HB3 GLN A 24 11.189 -4.730 -1.222 1.00 0.00 H new ATOM 0 HG2 GLN A 24 13.189 -5.815 0.790 1.00 0.00 H new ATOM 0 HG3 GLN A 24 13.361 -4.269 -0.018 1.00 0.00 H new ATOM 0 HE21 GLN A 24 13.030 -4.964 2.865 1.00 0.00 H new ATOM 0 HE22 GLN A 24 11.627 -4.040 3.410 1.00 0.00 H new ATOM 171 N ASP A 25 11.800 -7.735 1.547 1.00 0.00 N ATOM 172 CA ASP A 25 12.547 -8.689 2.367 1.00 0.00 C ATOM 173 C ASP A 25 11.909 -10.083 2.325 1.00 0.00 C ATOM 174 O ASP A 25 12.588 -11.089 2.535 1.00 0.00 O ATOM 175 CB ASP A 25 12.625 -8.198 3.820 1.00 0.00 C ATOM 176 CG ASP A 25 13.990 -8.425 4.447 1.00 0.00 C ATOM 177 OD1 ASP A 25 14.623 -9.459 4.145 1.00 0.00 O ATOM 178 OD2 ASP A 25 14.426 -7.568 5.245 1.00 0.00 O ATOM 0 H ASP A 25 11.296 -7.026 2.080 1.00 0.00 H new ATOM 0 HA ASP A 25 13.554 -8.761 1.955 1.00 0.00 H new ATOM 0 HB2 ASP A 25 12.388 -7.135 3.852 1.00 0.00 H new ATOM 0 HB3 ASP A 25 11.868 -8.711 4.413 1.00 0.00 H new ATOM 183 N GLY A 26 10.600 -10.134 2.061 1.00 0.00 N ATOM 184 CA GLY A 26 9.893 -11.405 2.007 1.00 0.00 C ATOM 185 C GLY A 26 8.634 -11.426 2.870 1.00 0.00 C ATOM 186 O GLY A 26 7.882 -12.402 2.847 1.00 0.00 O ATOM 0 H GLY A 26 10.018 -9.315 1.884 1.00 0.00 H new ATOM 0 HA2 GLY A 26 9.622 -11.620 0.973 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.563 -12.201 2.332 1.00 0.00 H new ATOM 190 N SER A 27 8.407 -10.352 3.635 1.00 0.00 N ATOM 191 CA SER A 27 7.237 -10.254 4.510 1.00 0.00 C ATOM 192 C SER A 27 5.939 -10.174 3.705 1.00 0.00 C ATOM 193 O SER A 27 5.934 -9.729 2.556 1.00 0.00 O ATOM 194 CB SER A 27 7.362 -9.027 5.418 1.00 0.00 C ATOM 195 OG SER A 27 7.561 -7.843 4.661 1.00 0.00 O ATOM 0 H SER A 27 9.021 -9.538 3.664 1.00 0.00 H new ATOM 0 HA SER A 27 7.200 -11.157 5.120 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.461 -8.927 6.024 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.195 -9.165 6.107 1.00 0.00 H new ATOM 0 HG SER A 27 7.636 -7.076 5.267 1.00 0.00 H new ATOM 201 N VAL A 28 4.838 -10.607 4.321 1.00 0.00 N ATOM 202 CA VAL A 28 3.531 -10.586 3.669 1.00 0.00 C ATOM 203 C VAL A 28 2.433 -10.188 4.658 1.00 0.00 C ATOM 204 O VAL A 28 2.077 -10.963 5.548 1.00 0.00 O ATOM 205 CB VAL A 28 3.183 -11.960 3.053 1.00 0.00 C ATOM 206 CG1 VAL A 28 1.920 -11.865 2.209 1.00 0.00 C ATOM 207 CG2 VAL A 28 4.346 -12.492 2.226 1.00 0.00 C ATOM 0 H VAL A 28 4.827 -10.977 5.272 1.00 0.00 H new ATOM 0 HA VAL A 28 3.586 -9.846 2.871 1.00 0.00 H new ATOM 0 HB VAL A 28 2.998 -12.661 3.867 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.692 -12.843 1.784 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.089 -11.538 2.834 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.074 -11.146 1.404 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.078 -13.460 1.802 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.570 -11.793 1.420 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.224 -12.605 2.863 1.00 0.00 H new ATOM 217 N VAL A 29 1.901 -8.976 4.495 1.00 0.00 N ATOM 218 CA VAL A 29 0.844 -8.474 5.373 1.00 0.00 C ATOM 219 C VAL A 29 -0.406 -8.098 4.574 1.00 0.00 C ATOM 220 O VAL A 29 -0.309 -7.634 3.436 1.00 0.00 O ATOM 221 CB VAL A 29 1.315 -7.243 6.182 1.00 0.00 C ATOM 222 CG1 VAL A 29 0.281 -6.862 7.232 1.00 0.00 C ATOM 223 CG2 VAL A 29 2.668 -7.502 6.833 1.00 0.00 C ATOM 0 H VAL A 29 2.185 -8.324 3.763 1.00 0.00 H new ATOM 0 HA VAL A 29 0.601 -9.281 6.065 1.00 0.00 H new ATOM 0 HB VAL A 29 1.427 -6.409 5.490 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.632 -5.994 7.790 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.663 -6.622 6.743 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.133 -7.697 7.916 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.976 -6.621 7.396 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.590 -8.354 7.508 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.408 -7.717 6.062 1.00 0.00 H new ATOM 233 N GLN A 30 -1.577 -8.302 5.179 1.00 0.00 N ATOM 234 CA GLN A 30 -2.849 -7.987 4.528 1.00 0.00 C ATOM 235 C GLN A 30 -3.456 -6.701 5.092 1.00 0.00 C ATOM 236 O GLN A 30 -3.274 -6.383 6.269 1.00 0.00 O ATOM 237 CB GLN A 30 -3.838 -9.143 4.705 1.00 0.00 C ATOM 238 CG GLN A 30 -3.406 -10.434 4.024 1.00 0.00 C ATOM 239 CD GLN A 30 -3.588 -11.652 4.911 1.00 0.00 C ATOM 240 OE1 GLN A 30 -2.920 -11.792 5.936 1.00 0.00 O ATOM 241 NE2 GLN A 30 -4.495 -12.542 4.522 1.00 0.00 N ATOM 0 H GLN A 30 -1.671 -8.684 6.120 1.00 0.00 H new ATOM 0 HA GLN A 30 -2.651 -7.839 3.466 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -3.973 -9.333 5.770 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -4.808 -8.842 4.309 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -3.982 -10.567 3.108 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -2.358 -10.354 3.734 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -5.027 -12.387 3.666 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -4.659 -13.380 5.080 1.00 0.00 H new ATOM 250 N PHE A 31 -4.184 -5.969 4.245 1.00 0.00 N ATOM 251 CA PHE A 31 -4.825 -4.721 4.657 1.00 0.00 C ATOM 252 C PHE A 31 -6.124 -4.489 3.885 1.00 0.00 C ATOM 253 O PHE A 31 -6.267 -4.933 2.745 1.00 0.00 O ATOM 254 CB PHE A 31 -3.874 -3.539 4.446 1.00 0.00 C ATOM 255 CG PHE A 31 -3.169 -3.109 5.702 1.00 0.00 C ATOM 256 CD1 PHE A 31 -3.834 -2.368 6.667 1.00 0.00 C ATOM 257 CD2 PHE A 31 -1.843 -3.447 5.919 1.00 0.00 C ATOM 258 CE1 PHE A 31 -3.189 -1.973 7.824 1.00 0.00 C ATOM 259 CE2 PHE A 31 -1.193 -3.055 7.074 1.00 0.00 C ATOM 260 CZ PHE A 31 -1.867 -2.317 8.027 1.00 0.00 C ATOM 0 H PHE A 31 -4.343 -6.221 3.269 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.065 -4.801 5.717 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.131 -3.809 3.696 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -4.438 -2.695 4.047 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -4.868 -2.096 6.513 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.311 -4.024 5.177 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -3.718 -1.396 8.568 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.159 -3.325 7.231 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.361 -2.009 8.930 1.00 0.00 H new ATOM 270 N LYS A 32 -7.068 -3.788 4.517 1.00 0.00 N ATOM 271 CA LYS A 32 -8.357 -3.493 3.892 1.00 0.00 C ATOM 272 C LYS A 32 -8.762 -2.038 4.127 1.00 0.00 C ATOM 273 O LYS A 32 -8.653 -1.527 5.244 1.00 0.00 O ATOM 274 CB LYS A 32 -9.443 -4.432 4.430 1.00 0.00 C ATOM 275 CG LYS A 32 -9.597 -4.398 5.944 1.00 0.00 C ATOM 276 CD LYS A 32 -10.036 -5.748 6.491 1.00 0.00 C ATOM 277 CE LYS A 32 -11.552 -5.888 6.494 1.00 0.00 C ATOM 278 NZ LYS A 32 -12.169 -5.313 7.723 1.00 0.00 N ATOM 0 H LYS A 32 -6.963 -3.415 5.460 1.00 0.00 H new ATOM 0 HA LYS A 32 -8.251 -3.652 2.819 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.396 -4.168 3.972 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.213 -5.452 4.121 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -8.650 -4.110 6.401 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -10.328 -3.638 6.219 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -9.598 -6.544 5.889 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.657 -5.870 7.506 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -11.963 -5.389 5.616 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.818 -6.942 6.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -13.201 -5.431 7.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.798 -5.805 8.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -11.939 -4.301 7.786 1.00 0.00 H new ATOM 292 N ILE A 33 -9.229 -1.377 3.065 1.00 0.00 N ATOM 293 CA ILE A 33 -9.655 0.022 3.147 1.00 0.00 C ATOM 294 C ILE A 33 -10.839 0.299 2.220 1.00 0.00 C ATOM 295 O ILE A 33 -11.291 -0.587 1.493 1.00 0.00 O ATOM 296 CB ILE A 33 -8.502 0.989 2.787 1.00 0.00 C ATOM 297 CG1 ILE A 33 -7.910 0.640 1.417 1.00 0.00 C ATOM 298 CG2 ILE A 33 -7.424 0.956 3.860 1.00 0.00 C ATOM 299 CD1 ILE A 33 -7.389 1.841 0.655 1.00 0.00 C ATOM 0 H ILE A 33 -9.322 -1.789 2.137 1.00 0.00 H new ATOM 0 HA ILE A 33 -9.957 0.194 4.180 1.00 0.00 H new ATOM 0 HB ILE A 33 -8.906 2.000 2.736 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -7.097 -0.073 1.553 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -8.673 0.143 0.817 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -6.621 1.642 3.590 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -7.853 1.257 4.816 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -7.025 -0.055 3.944 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -6.986 1.516 -0.304 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -8.203 2.546 0.486 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -6.603 2.326 1.234 1.00 0.00 H new ATOM 311 N LYS A 34 -11.333 1.538 2.246 1.00 0.00 N ATOM 312 CA LYS A 34 -12.458 1.935 1.399 1.00 0.00 C ATOM 313 C LYS A 34 -11.970 2.327 0.005 1.00 0.00 C ATOM 314 O LYS A 34 -10.935 2.983 -0.135 1.00 0.00 O ATOM 315 CB LYS A 34 -13.233 3.100 2.032 1.00 0.00 C ATOM 316 CG LYS A 34 -12.357 4.271 2.461 1.00 0.00 C ATOM 317 CD LYS A 34 -13.065 5.603 2.258 1.00 0.00 C ATOM 318 CE LYS A 34 -12.758 6.582 3.383 1.00 0.00 C ATOM 319 NZ LYS A 34 -13.551 6.291 4.611 1.00 0.00 N ATOM 0 H LYS A 34 -10.972 2.282 2.843 1.00 0.00 H new ATOM 0 HA LYS A 34 -13.129 1.080 1.308 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -13.976 3.458 1.319 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -13.778 2.730 2.901 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -12.086 4.158 3.511 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -11.429 4.261 1.890 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -12.759 6.036 1.306 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -14.141 5.438 2.203 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.695 6.540 3.620 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -12.970 7.597 3.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -13.311 6.981 5.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -14.566 6.357 4.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -13.331 5.332 4.947 1.00 0.00 H new ATOM 333 N ARG A 35 -12.720 1.924 -1.022 1.00 0.00 N ATOM 334 CA ARG A 35 -12.361 2.234 -2.408 1.00 0.00 C ATOM 335 C ARG A 35 -12.820 3.645 -2.795 1.00 0.00 C ATOM 336 O ARG A 35 -13.535 3.829 -3.784 1.00 0.00 O ATOM 337 CB ARG A 35 -12.960 1.191 -3.367 1.00 0.00 C ATOM 338 CG ARG A 35 -14.464 1.009 -3.223 1.00 0.00 C ATOM 339 CD ARG A 35 -15.178 1.185 -4.555 1.00 0.00 C ATOM 340 NE ARG A 35 -15.548 -0.097 -5.161 1.00 0.00 N ATOM 341 CZ ARG A 35 -15.890 -0.244 -6.444 1.00 0.00 C ATOM 342 NH1 ARG A 35 -15.913 0.805 -7.261 1.00 0.00 N ATOM 343 NH2 ARG A 35 -16.213 -1.445 -6.912 1.00 0.00 N ATOM 0 H ARG A 35 -13.579 1.383 -0.921 1.00 0.00 H new ATOM 0 HA ARG A 35 -11.275 2.198 -2.490 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -12.737 1.485 -4.393 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -12.470 0.232 -3.196 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -14.675 0.017 -2.825 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -14.851 1.730 -2.503 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -16.075 1.787 -4.407 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -14.534 1.736 -5.240 1.00 0.00 H new ATOM 0 HE ARG A 35 -15.544 -0.927 -4.568 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -15.668 1.731 -6.909 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -16.175 0.684 -8.239 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -16.200 -2.255 -6.292 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -16.474 -1.557 -7.892 1.00 0.00 H new ATOM 357 N HIS A 36 -12.402 4.639 -2.008 1.00 0.00 N ATOM 358 CA HIS A 36 -12.765 6.032 -2.265 1.00 0.00 C ATOM 359 C HIS A 36 -11.786 6.998 -1.582 1.00 0.00 C ATOM 360 O HIS A 36 -12.175 8.088 -1.155 1.00 0.00 O ATOM 361 CB HIS A 36 -14.199 6.298 -1.782 1.00 0.00 C ATOM 362 CG HIS A 36 -15.087 6.913 -2.822 1.00 0.00 C ATOM 363 ND1 HIS A 36 -16.042 7.866 -2.529 1.00 0.00 N ATOM 364 CD2 HIS A 36 -15.166 6.706 -4.158 1.00 0.00 C ATOM 365 CE1 HIS A 36 -16.669 8.215 -3.640 1.00 0.00 C ATOM 366 NE2 HIS A 36 -16.156 7.527 -4.642 1.00 0.00 N ATOM 0 H HIS A 36 -11.812 4.504 -1.187 1.00 0.00 H new ATOM 0 HA HIS A 36 -12.710 6.205 -3.340 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -14.641 5.358 -1.451 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -14.163 6.956 -0.914 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -14.562 6.022 -4.736 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -17.466 8.940 -3.714 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -16.447 7.594 -5.617 1.00 0.00 H new ATOM 375 N THR A 37 -10.515 6.595 -1.483 1.00 0.00 N ATOM 376 CA THR A 37 -9.486 7.428 -0.853 1.00 0.00 C ATOM 377 C THR A 37 -8.102 7.132 -1.437 1.00 0.00 C ATOM 378 O THR A 37 -7.869 6.053 -1.983 1.00 0.00 O ATOM 379 CB THR A 37 -9.462 7.206 0.666 1.00 0.00 C ATOM 380 OG1 THR A 37 -9.907 5.900 1.000 1.00 0.00 O ATOM 381 CG2 THR A 37 -10.320 8.195 1.427 1.00 0.00 C ATOM 0 H THR A 37 -10.175 5.698 -1.831 1.00 0.00 H new ATOM 0 HA THR A 37 -9.736 8.469 -1.058 1.00 0.00 H new ATOM 0 HB THR A 37 -8.422 7.348 0.958 1.00 0.00 H new ATOM 0 HG1 THR A 37 -9.880 5.784 1.973 1.00 0.00 H new ATOM 0 HG21 THR A 37 -10.259 7.983 2.495 1.00 0.00 H new ATOM 0 HG22 THR A 37 -9.964 9.207 1.237 1.00 0.00 H new ATOM 0 HG23 THR A 37 -11.355 8.107 1.098 1.00 0.00 H new ATOM 389 N PRO A 38 -7.161 8.096 -1.325 1.00 0.00 N ATOM 390 CA PRO A 38 -5.790 7.941 -1.842 1.00 0.00 C ATOM 391 C PRO A 38 -5.062 6.740 -1.238 1.00 0.00 C ATOM 392 O PRO A 38 -5.481 6.197 -0.212 1.00 0.00 O ATOM 393 CB PRO A 38 -5.093 9.244 -1.426 1.00 0.00 C ATOM 394 CG PRO A 38 -6.195 10.219 -1.195 1.00 0.00 C ATOM 395 CD PRO A 38 -7.358 9.414 -0.690 1.00 0.00 C ATOM 0 HA PRO A 38 -5.790 7.763 -2.917 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -4.498 9.102 -0.524 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.414 9.594 -2.204 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.900 10.977 -0.469 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.453 10.742 -2.116 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -7.354 9.341 0.398 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -8.310 9.860 -0.976 1.00 0.00 H new ATOM 403 N LEU A 39 -3.963 6.334 -1.879 1.00 0.00 N ATOM 404 CA LEU A 39 -3.168 5.198 -1.406 1.00 0.00 C ATOM 405 C LEU A 39 -2.578 5.459 -0.017 1.00 0.00 C ATOM 406 O LEU A 39 -2.264 4.516 0.712 1.00 0.00 O ATOM 407 CB LEU A 39 -2.047 4.877 -2.399 1.00 0.00 C ATOM 408 CG LEU A 39 -2.405 3.842 -3.468 1.00 0.00 C ATOM 409 CD1 LEU A 39 -1.429 3.918 -4.632 1.00 0.00 C ATOM 410 CD2 LEU A 39 -2.417 2.440 -2.873 1.00 0.00 C ATOM 0 H LEU A 39 -3.604 6.775 -2.726 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.837 4.341 -1.331 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.746 5.800 -2.895 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.181 4.518 -1.843 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.404 4.066 -3.841 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.699 3.175 -5.382 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.469 4.913 -5.076 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.419 3.721 -4.273 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.674 1.718 -3.648 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.431 2.207 -2.472 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.155 2.391 -2.073 1.00 0.00 H new ATOM 422 N SER A 40 -2.432 6.737 0.346 1.00 0.00 N ATOM 423 CA SER A 40 -1.887 7.114 1.651 1.00 0.00 C ATOM 424 C SER A 40 -2.640 6.422 2.790 1.00 0.00 C ATOM 425 O SER A 40 -2.054 6.113 3.826 1.00 0.00 O ATOM 426 CB SER A 40 -1.947 8.632 1.837 1.00 0.00 C ATOM 427 OG SER A 40 -0.739 9.245 1.422 1.00 0.00 O ATOM 0 H SER A 40 -2.684 7.528 -0.247 1.00 0.00 H new ATOM 0 HA SER A 40 -0.847 6.789 1.681 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.780 9.039 1.264 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.136 8.866 2.885 1.00 0.00 H new ATOM 0 HG SER A 40 -0.590 9.063 0.471 1.00 0.00 H new ATOM 433 N LYS A 41 -3.938 6.180 2.591 1.00 0.00 N ATOM 434 CA LYS A 41 -4.761 5.519 3.604 1.00 0.00 C ATOM 435 C LYS A 41 -4.175 4.157 3.978 1.00 0.00 C ATOM 436 O LYS A 41 -3.940 3.876 5.154 1.00 0.00 O ATOM 437 CB LYS A 41 -6.200 5.354 3.102 1.00 0.00 C ATOM 438 CG LYS A 41 -7.150 6.425 3.616 1.00 0.00 C ATOM 439 CD LYS A 41 -8.220 5.836 4.524 1.00 0.00 C ATOM 440 CE LYS A 41 -7.631 5.343 5.839 1.00 0.00 C ATOM 441 NZ LYS A 41 -7.480 6.442 6.836 1.00 0.00 N ATOM 0 H LYS A 41 -4.440 6.432 1.739 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.769 6.147 4.495 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -6.200 5.372 2.012 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.572 4.375 3.404 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.586 7.182 4.161 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.624 6.927 2.772 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -8.982 6.589 4.726 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.716 5.010 4.014 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.272 4.565 6.253 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -6.658 4.889 5.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.076 6.060 7.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -6.848 7.174 6.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.411 6.860 7.036 1.00 0.00 H new ATOM 455 N LEU A 42 -3.932 3.321 2.969 1.00 0.00 N ATOM 456 CA LEU A 42 -3.362 1.994 3.193 1.00 0.00 C ATOM 457 C LEU A 42 -1.867 2.088 3.508 1.00 0.00 C ATOM 458 O LEU A 42 -1.346 1.316 4.314 1.00 0.00 O ATOM 459 CB LEU A 42 -3.585 1.105 1.965 1.00 0.00 C ATOM 460 CG LEU A 42 -3.569 -0.403 2.241 1.00 0.00 C ATOM 461 CD1 LEU A 42 -4.750 -1.087 1.564 1.00 0.00 C ATOM 462 CD2 LEU A 42 -2.255 -1.018 1.777 1.00 0.00 C ATOM 0 H LEU A 42 -4.121 3.539 1.991 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.867 1.549 4.050 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.543 1.366 1.516 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.815 1.332 1.227 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.658 -0.555 3.317 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.720 -2.156 1.773 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.681 -0.669 1.947 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.696 -0.926 0.487 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.262 -2.089 1.981 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.134 -0.854 0.706 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.427 -0.552 2.311 1.00 0.00 H new ATOM 474 N MET A 43 -1.185 3.039 2.865 1.00 0.00 N ATOM 475 CA MET A 43 0.250 3.235 3.072 1.00 0.00 C ATOM 476 C MET A 43 0.556 3.623 4.518 1.00 0.00 C ATOM 477 O MET A 43 1.398 3.002 5.167 1.00 0.00 O ATOM 478 CB MET A 43 0.790 4.306 2.116 1.00 0.00 C ATOM 479 CG MET A 43 1.683 3.749 1.018 1.00 0.00 C ATOM 480 SD MET A 43 3.422 4.169 1.248 1.00 0.00 S ATOM 481 CE MET A 43 3.670 3.689 2.955 1.00 0.00 C ATOM 0 H MET A 43 -1.605 3.685 2.197 1.00 0.00 H new ATOM 0 HA MET A 43 0.746 2.288 2.862 1.00 0.00 H new ATOM 0 HB2 MET A 43 -0.050 4.830 1.659 1.00 0.00 H new ATOM 0 HB3 MET A 43 1.351 5.043 2.690 1.00 0.00 H new ATOM 0 HG2 MET A 43 1.577 2.665 0.986 1.00 0.00 H new ATOM 0 HG3 MET A 43 1.346 4.131 0.054 1.00 0.00 H new ATOM 0 HE1 MET A 43 4.722 3.806 3.217 1.00 0.00 H new ATOM 0 HE2 MET A 43 3.062 4.321 3.603 1.00 0.00 H new ATOM 0 HE3 MET A 43 3.377 2.647 3.086 1.00 0.00 H new ATOM 491 N LYS A 44 -0.132 4.649 5.017 1.00 0.00 N ATOM 492 CA LYS A 44 0.070 5.113 6.388 1.00 0.00 C ATOM 493 C LYS A 44 -0.245 4.003 7.387 1.00 0.00 C ATOM 494 O LYS A 44 0.578 3.679 8.244 1.00 0.00 O ATOM 495 CB LYS A 44 -0.804 6.335 6.678 1.00 0.00 C ATOM 496 CG LYS A 44 -0.127 7.658 6.366 1.00 0.00 C ATOM 497 CD LYS A 44 -1.147 8.762 6.121 1.00 0.00 C ATOM 498 CE LYS A 44 -0.509 9.978 5.466 1.00 0.00 C ATOM 499 NZ LYS A 44 0.519 10.609 6.342 1.00 0.00 N ATOM 0 H LYS A 44 -0.833 5.174 4.493 1.00 0.00 H new ATOM 0 HA LYS A 44 1.118 5.395 6.496 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.722 6.261 6.095 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.092 6.323 7.729 1.00 0.00 H new ATOM 0 HG2 LYS A 44 0.524 7.939 7.194 1.00 0.00 H new ATOM 0 HG3 LYS A 44 0.507 7.545 5.487 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.948 8.384 5.486 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.602 9.054 7.067 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -0.050 9.682 4.523 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.282 10.709 5.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 0.965 11.402 5.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 0.067 10.960 7.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 1.244 9.905 6.589 1.00 0.00 H new ATOM 513 N ALA A 45 -1.438 3.418 7.264 1.00 0.00 N ATOM 514 CA ALA A 45 -1.861 2.336 8.152 1.00 0.00 C ATOM 515 C ALA A 45 -0.846 1.193 8.155 1.00 0.00 C ATOM 516 O ALA A 45 -0.632 0.549 9.183 1.00 0.00 O ATOM 517 CB ALA A 45 -3.236 1.823 7.746 1.00 0.00 C ATOM 0 H ALA A 45 -2.127 3.676 6.558 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.919 2.736 9.164 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.537 1.018 8.417 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.960 2.635 7.807 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -3.197 1.448 6.723 1.00 0.00 H new ATOM 523 N TYR A 46 -0.221 0.951 7.002 1.00 0.00 N ATOM 524 CA TYR A 46 0.775 -0.109 6.873 1.00 0.00 C ATOM 525 C TYR A 46 2.066 0.259 7.606 1.00 0.00 C ATOM 526 O TYR A 46 2.541 -0.496 8.455 1.00 0.00 O ATOM 527 CB TYR A 46 1.073 -0.383 5.395 1.00 0.00 C ATOM 528 CG TYR A 46 2.107 -1.465 5.171 1.00 0.00 C ATOM 529 CD1 TYR A 46 1.749 -2.808 5.175 1.00 0.00 C ATOM 530 CD2 TYR A 46 3.444 -1.144 4.959 1.00 0.00 C ATOM 531 CE1 TYR A 46 2.690 -3.798 4.975 1.00 0.00 C ATOM 532 CE2 TYR A 46 4.391 -2.130 4.756 1.00 0.00 C ATOM 533 CZ TYR A 46 4.009 -3.456 4.766 1.00 0.00 C ATOM 534 OH TYR A 46 4.949 -4.442 4.568 1.00 0.00 O ATOM 0 H TYR A 46 -0.388 1.476 6.144 1.00 0.00 H new ATOM 0 HA TYR A 46 0.367 -1.012 7.328 1.00 0.00 H new ATOM 0 HB2 TYR A 46 0.148 -0.668 4.894 1.00 0.00 H new ATOM 0 HB3 TYR A 46 1.418 0.539 4.927 1.00 0.00 H new ATOM 0 HD1 TYR A 46 0.717 -3.082 5.337 1.00 0.00 H new ATOM 0 HD2 TYR A 46 3.747 -0.107 4.953 1.00 0.00 H new ATOM 0 HE1 TYR A 46 2.394 -4.837 4.982 1.00 0.00 H new ATOM 0 HE2 TYR A 46 5.425 -1.864 4.590 1.00 0.00 H new ATOM 0 HH TYR A 46 4.526 -5.216 4.141 1.00 0.00 H new ATOM 544 N SER A 47 2.625 1.423 7.272 1.00 0.00 N ATOM 545 CA SER A 47 3.862 1.895 7.897 1.00 0.00 C ATOM 546 C SER A 47 3.699 2.024 9.413 1.00 0.00 C ATOM 547 O SER A 47 4.628 1.737 10.171 1.00 0.00 O ATOM 548 CB SER A 47 4.283 3.243 7.298 1.00 0.00 C ATOM 549 OG SER A 47 5.666 3.253 6.985 1.00 0.00 O ATOM 0 H SER A 47 2.241 2.057 6.572 1.00 0.00 H new ATOM 0 HA SER A 47 4.640 1.158 7.698 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.702 3.442 6.398 1.00 0.00 H new ATOM 0 HB3 SER A 47 4.061 4.043 8.004 1.00 0.00 H new ATOM 0 HG SER A 47 5.961 4.176 6.837 1.00 0.00 H new ATOM 555 N GLU A 48 2.514 2.457 9.845 1.00 0.00 N ATOM 556 CA GLU A 48 2.226 2.625 11.267 1.00 0.00 C ATOM 557 C GLU A 48 2.077 1.272 11.966 1.00 0.00 C ATOM 558 O GLU A 48 2.688 1.036 13.009 1.00 0.00 O ATOM 559 CB GLU A 48 0.954 3.460 11.459 1.00 0.00 C ATOM 560 CG GLU A 48 1.223 4.869 11.965 1.00 0.00 C ATOM 561 CD GLU A 48 0.403 5.917 11.237 1.00 0.00 C ATOM 562 OE1 GLU A 48 0.743 6.241 10.079 1.00 0.00 O ATOM 563 OE2 GLU A 48 -0.580 6.416 11.825 1.00 0.00 O ATOM 0 H GLU A 48 1.738 2.698 9.228 1.00 0.00 H new ATOM 0 HA GLU A 48 3.068 3.150 11.719 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.421 3.519 10.510 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.297 2.949 12.163 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.002 4.916 13.031 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.283 5.097 11.849 1.00 0.00 H new ATOM 570 N ARG A 49 1.261 0.389 11.389 1.00 0.00 N ATOM 571 CA ARG A 49 1.032 -0.939 11.962 1.00 0.00 C ATOM 572 C ARG A 49 2.331 -1.738 12.066 1.00 0.00 C ATOM 573 O ARG A 49 2.634 -2.304 13.116 1.00 0.00 O ATOM 574 CB ARG A 49 0.017 -1.717 11.121 1.00 0.00 C ATOM 575 CG ARG A 49 -1.416 -1.588 11.613 1.00 0.00 C ATOM 576 CD ARG A 49 -2.147 -2.922 11.565 1.00 0.00 C ATOM 577 NE ARG A 49 -1.572 -3.901 12.490 1.00 0.00 N ATOM 578 CZ ARG A 49 -1.818 -5.212 12.439 1.00 0.00 C ATOM 579 NH1 ARG A 49 -2.633 -5.711 11.514 1.00 0.00 N ATOM 580 NH2 ARG A 49 -1.247 -6.029 13.317 1.00 0.00 N ATOM 0 H ARG A 49 0.748 0.569 10.526 1.00 0.00 H new ATOM 0 HA ARG A 49 0.637 -0.796 12.968 1.00 0.00 H new ATOM 0 HB2 ARG A 49 0.070 -1.368 10.090 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.296 -2.771 11.115 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.418 -1.208 12.635 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.947 -0.859 11.001 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.198 -2.768 11.809 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.110 -3.318 10.550 1.00 0.00 H new ATOM 0 HE ARG A 49 -0.945 -3.560 13.218 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.076 -5.091 10.836 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.815 -6.714 11.482 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -0.621 -5.655 14.030 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -1.435 -7.031 13.278 1.00 0.00 H new ATOM 594 N GLN A 50 3.088 -1.790 10.971 1.00 0.00 N ATOM 595 CA GLN A 50 4.347 -2.532 10.944 1.00 0.00 C ATOM 596 C GLN A 50 5.377 -1.914 11.888 1.00 0.00 C ATOM 597 O GLN A 50 5.719 -2.503 12.915 1.00 0.00 O ATOM 598 CB GLN A 50 4.908 -2.586 9.518 1.00 0.00 C ATOM 599 CG GLN A 50 4.426 -3.784 8.715 1.00 0.00 C ATOM 600 CD GLN A 50 5.161 -5.060 9.078 1.00 0.00 C ATOM 601 OE1 GLN A 50 6.185 -5.390 8.481 1.00 0.00 O ATOM 602 NE2 GLN A 50 4.639 -5.787 10.060 1.00 0.00 N ATOM 0 H GLN A 50 2.852 -1.328 10.093 1.00 0.00 H new ATOM 0 HA GLN A 50 4.140 -3.547 11.284 1.00 0.00 H new ATOM 0 HB2 GLN A 50 4.629 -1.672 8.993 1.00 0.00 H new ATOM 0 HB3 GLN A 50 5.997 -2.607 9.566 1.00 0.00 H new ATOM 0 HG2 GLN A 50 3.358 -3.924 8.882 1.00 0.00 H new ATOM 0 HG3 GLN A 50 4.558 -3.582 7.652 1.00 0.00 H new ATOM 0 HE21 GLN A 50 3.788 -5.476 10.528 1.00 0.00 H new ATOM 0 HE22 GLN A 50 5.089 -6.656 10.346 1.00 0.00 H new ATOM 611 N GLY A 51 5.872 -0.729 11.532 1.00 0.00 N ATOM 612 CA GLY A 51 6.861 -0.054 12.354 1.00 0.00 C ATOM 613 C GLY A 51 7.947 0.594 11.520 1.00 0.00 C ATOM 614 O GLY A 51 9.135 0.467 11.825 1.00 0.00 O ATOM 0 H GLY A 51 5.604 -0.225 10.687 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.369 0.705 12.962 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.311 -0.770 13.041 1.00 0.00 H new ATOM 618 N LEU A 52 7.535 1.290 10.463 1.00 0.00 N ATOM 619 CA LEU A 52 8.467 1.967 9.573 1.00 0.00 C ATOM 620 C LEU A 52 8.277 3.482 9.657 1.00 0.00 C ATOM 621 O LEU A 52 7.751 3.994 10.648 1.00 0.00 O ATOM 622 CB LEU A 52 8.275 1.478 8.128 1.00 0.00 C ATOM 623 CG LEU A 52 8.048 -0.029 7.964 1.00 0.00 C ATOM 624 CD1 LEU A 52 7.729 -0.364 6.515 1.00 0.00 C ATOM 625 CD2 LEU A 52 9.267 -0.810 8.438 1.00 0.00 C ATOM 0 H LEU A 52 6.555 1.399 10.203 1.00 0.00 H new ATOM 0 HA LEU A 52 9.484 1.730 9.886 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.425 2.005 7.695 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.154 1.760 7.548 1.00 0.00 H new ATOM 0 HG LEU A 52 7.196 -0.318 8.580 1.00 0.00 H new ATOM 0 HD11 LEU A 52 7.571 -1.438 6.416 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.827 0.165 6.209 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.561 -0.060 5.880 1.00 0.00 H new ATOM 0 HD21 LEU A 52 9.086 -1.878 8.313 1.00 0.00 H new ATOM 0 HD22 LEU A 52 10.137 -0.518 7.850 1.00 0.00 H new ATOM 0 HD23 LEU A 52 9.451 -0.594 9.490 1.00 0.00 H new ATOM 637 N SER A 53 8.705 4.194 8.618 1.00 0.00 N ATOM 638 CA SER A 53 8.581 5.650 8.581 1.00 0.00 C ATOM 639 C SER A 53 7.861 6.107 7.316 1.00 0.00 C ATOM 640 O SER A 53 7.860 5.408 6.303 1.00 0.00 O ATOM 641 CB SER A 53 9.963 6.306 8.654 1.00 0.00 C ATOM 642 OG SER A 53 10.673 5.881 9.804 1.00 0.00 O ATOM 0 H SER A 53 9.141 3.787 7.790 1.00 0.00 H new ATOM 0 HA SER A 53 7.992 5.957 9.445 1.00 0.00 H new ATOM 0 HB2 SER A 53 10.534 6.058 7.759 1.00 0.00 H new ATOM 0 HB3 SER A 53 9.853 7.390 8.672 1.00 0.00 H new ATOM 0 HG SER A 53 11.552 6.314 9.824 1.00 0.00 H new ATOM 648 N MET A 54 7.257 7.293 7.379 1.00 0.00 N ATOM 649 CA MET A 54 6.541 7.849 6.234 1.00 0.00 C ATOM 650 C MET A 54 7.448 8.766 5.406 1.00 0.00 C ATOM 651 O MET A 54 6.974 9.704 4.762 1.00 0.00 O ATOM 652 CB MET A 54 5.304 8.618 6.708 1.00 0.00 C ATOM 653 CG MET A 54 4.200 8.695 5.665 1.00 0.00 C ATOM 654 SD MET A 54 3.769 10.391 5.222 1.00 0.00 S ATOM 655 CE MET A 54 3.623 11.148 6.839 1.00 0.00 C ATOM 0 H MET A 54 7.250 7.885 8.209 1.00 0.00 H new ATOM 0 HA MET A 54 6.226 7.022 5.598 1.00 0.00 H new ATOM 0 HB2 MET A 54 4.912 8.141 7.606 1.00 0.00 H new ATOM 0 HB3 MET A 54 5.600 9.629 6.988 1.00 0.00 H new ATOM 0 HG2 MET A 54 4.515 8.160 4.769 1.00 0.00 H new ATOM 0 HG3 MET A 54 3.313 8.187 6.044 1.00 0.00 H new ATOM 0 HE1 MET A 54 2.867 11.932 6.807 1.00 0.00 H new ATOM 0 HE2 MET A 54 3.332 10.393 7.569 1.00 0.00 H new ATOM 0 HE3 MET A 54 4.582 11.580 7.126 1.00 0.00 H new ATOM 665 N ARG A 55 8.753 8.489 5.425 1.00 0.00 N ATOM 666 CA ARG A 55 9.727 9.285 4.677 1.00 0.00 C ATOM 667 C ARG A 55 10.644 8.405 3.818 1.00 0.00 C ATOM 668 O ARG A 55 11.552 8.915 3.160 1.00 0.00 O ATOM 669 CB ARG A 55 10.573 10.127 5.639 1.00 0.00 C ATOM 670 CG ARG A 55 11.054 9.361 6.863 1.00 0.00 C ATOM 671 CD ARG A 55 11.799 10.265 7.832 1.00 0.00 C ATOM 672 NE ARG A 55 11.352 10.071 9.211 1.00 0.00 N ATOM 673 CZ ARG A 55 10.221 10.579 9.708 1.00 0.00 C ATOM 674 NH1 ARG A 55 9.413 11.307 8.940 1.00 0.00 N ATOM 675 NH2 ARG A 55 9.896 10.350 10.976 1.00 0.00 N ATOM 0 H ARG A 55 9.160 7.717 5.952 1.00 0.00 H new ATOM 0 HA ARG A 55 9.168 9.941 4.009 1.00 0.00 H new ATOM 0 HB2 ARG A 55 11.438 10.516 5.102 1.00 0.00 H new ATOM 0 HB3 ARG A 55 9.988 10.986 5.966 1.00 0.00 H new ATOM 0 HG2 ARG A 55 10.201 8.909 7.369 1.00 0.00 H new ATOM 0 HG3 ARG A 55 11.707 8.546 6.550 1.00 0.00 H new ATOM 0 HD2 ARG A 55 12.869 10.066 7.765 1.00 0.00 H new ATOM 0 HD3 ARG A 55 11.650 11.306 7.545 1.00 0.00 H new ATOM 0 HE ARG A 55 11.940 9.514 9.831 1.00 0.00 H new ATOM 0 HH11 ARG A 55 9.656 11.480 7.965 1.00 0.00 H new ATOM 0 HH12 ARG A 55 8.551 11.691 9.327 1.00 0.00 H new ATOM 0 HH21 ARG A 55 10.509 9.788 11.566 1.00 0.00 H new ATOM 0 HH22 ARG A 55 9.033 10.736 11.359 1.00 0.00 H new ATOM 689 N GLN A 56 10.398 7.090 3.812 1.00 0.00 N ATOM 690 CA GLN A 56 11.195 6.160 3.024 1.00 0.00 C ATOM 691 C GLN A 56 10.401 4.889 2.764 1.00 0.00 C ATOM 692 O GLN A 56 10.628 3.857 3.397 1.00 0.00 O ATOM 693 CB GLN A 56 12.493 5.809 3.761 1.00 0.00 C ATOM 694 CG GLN A 56 13.561 6.888 3.686 1.00 0.00 C ATOM 695 CD GLN A 56 13.649 7.726 4.951 1.00 0.00 C ATOM 696 OE1 GLN A 56 13.707 8.953 4.889 1.00 0.00 O ATOM 697 NE2 GLN A 56 13.663 7.069 6.107 1.00 0.00 N ATOM 0 H GLN A 56 9.649 6.651 4.348 1.00 0.00 H new ATOM 0 HA GLN A 56 11.443 6.635 2.075 1.00 0.00 H new ATOM 0 HB2 GLN A 56 12.262 5.614 4.808 1.00 0.00 H new ATOM 0 HB3 GLN A 56 12.895 4.885 3.346 1.00 0.00 H new ATOM 0 HG2 GLN A 56 14.528 6.422 3.498 1.00 0.00 H new ATOM 0 HG3 GLN A 56 13.351 7.541 2.838 1.00 0.00 H new ATOM 0 HE21 GLN A 56 13.613 6.050 6.115 1.00 0.00 H new ATOM 0 HE22 GLN A 56 13.724 7.584 6.985 1.00 0.00 H new ATOM 706 N ILE A 57 9.479 4.977 1.818 1.00 0.00 N ATOM 707 CA ILE A 57 8.638 3.843 1.446 1.00 0.00 C ATOM 708 C ILE A 57 8.334 3.862 -0.051 1.00 0.00 C ATOM 709 O ILE A 57 8.353 4.919 -0.685 1.00 0.00 O ATOM 710 CB ILE A 57 7.299 3.830 2.221 1.00 0.00 C ATOM 711 CG1 ILE A 57 7.505 4.179 3.701 1.00 0.00 C ATOM 712 CG2 ILE A 57 6.623 2.474 2.086 1.00 0.00 C ATOM 713 CD1 ILE A 57 8.208 3.097 4.498 1.00 0.00 C ATOM 0 H ILE A 57 9.291 5.828 1.288 1.00 0.00 H new ATOM 0 HA ILE A 57 9.200 2.945 1.704 1.00 0.00 H new ATOM 0 HB ILE A 57 6.653 4.592 1.785 1.00 0.00 H new ATOM 0 HG12 ILE A 57 8.084 5.100 3.769 1.00 0.00 H new ATOM 0 HG13 ILE A 57 6.534 4.378 4.155 1.00 0.00 H new ATOM 0 HG21 ILE A 57 5.682 2.480 2.636 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.426 2.269 1.034 1.00 0.00 H new ATOM 0 HG23 ILE A 57 7.275 1.700 2.491 1.00 0.00 H new ATOM 0 HD11 ILE A 57 8.316 3.420 5.534 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.621 2.180 4.463 1.00 0.00 H new ATOM 0 HD13 ILE A 57 9.194 2.913 4.071 1.00 0.00 H new ATOM 725 N ARG A 58 8.046 2.686 -0.604 1.00 0.00 N ATOM 726 CA ARG A 58 7.731 2.554 -2.023 1.00 0.00 C ATOM 727 C ARG A 58 6.625 1.524 -2.237 1.00 0.00 C ATOM 728 O ARG A 58 6.568 0.511 -1.539 1.00 0.00 O ATOM 729 CB ARG A 58 8.975 2.136 -2.815 1.00 0.00 C ATOM 730 CG ARG A 58 10.091 3.169 -2.806 1.00 0.00 C ATOM 731 CD ARG A 58 10.211 3.876 -4.147 1.00 0.00 C ATOM 732 NE ARG A 58 11.370 3.413 -4.911 1.00 0.00 N ATOM 733 CZ ARG A 58 12.637 3.707 -4.606 1.00 0.00 C ATOM 734 NH1 ARG A 58 12.918 4.468 -3.550 1.00 0.00 N ATOM 735 NH2 ARG A 58 13.628 3.240 -5.360 1.00 0.00 N ATOM 0 H ARG A 58 8.025 1.807 -0.087 1.00 0.00 H new ATOM 0 HA ARG A 58 7.388 3.525 -2.380 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.356 1.201 -2.405 1.00 0.00 H new ATOM 0 HB3 ARG A 58 8.686 1.938 -3.847 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.902 3.903 -2.023 1.00 0.00 H new ATOM 0 HG3 ARG A 58 11.036 2.682 -2.565 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.304 3.708 -4.728 1.00 0.00 H new ATOM 0 HD3 ARG A 58 10.291 4.951 -3.984 1.00 0.00 H new ATOM 0 HE ARG A 58 11.200 2.828 -5.729 1.00 0.00 H new ATOM 0 HH11 ARG A 58 12.163 4.831 -2.968 1.00 0.00 H new ATOM 0 HH12 ARG A 58 13.888 4.688 -3.324 1.00 0.00 H new ATOM 0 HH21 ARG A 58 13.421 2.657 -6.171 1.00 0.00 H new ATOM 0 HH22 ARG A 58 14.595 3.464 -5.127 1.00 0.00 H new ATOM 749 N PHE A 59 5.755 1.787 -3.210 1.00 0.00 N ATOM 750 CA PHE A 59 4.655 0.879 -3.527 1.00 0.00 C ATOM 751 C PHE A 59 4.788 0.360 -4.957 1.00 0.00 C ATOM 752 O PHE A 59 4.974 1.142 -5.892 1.00 0.00 O ATOM 753 CB PHE A 59 3.308 1.588 -3.347 1.00 0.00 C ATOM 754 CG PHE A 59 2.520 1.113 -2.154 1.00 0.00 C ATOM 755 CD1 PHE A 59 3.140 0.900 -0.930 1.00 0.00 C ATOM 756 CD2 PHE A 59 1.156 0.882 -2.257 1.00 0.00 C ATOM 757 CE1 PHE A 59 2.415 0.465 0.163 1.00 0.00 C ATOM 758 CE2 PHE A 59 0.427 0.447 -1.166 1.00 0.00 C ATOM 759 CZ PHE A 59 1.057 0.239 0.045 1.00 0.00 C ATOM 0 H PHE A 59 5.791 2.623 -3.793 1.00 0.00 H new ATOM 0 HA PHE A 59 4.699 0.032 -2.842 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.483 2.660 -3.251 1.00 0.00 H new ATOM 0 HB3 PHE A 59 2.709 1.442 -4.246 1.00 0.00 H new ATOM 0 HD1 PHE A 59 4.201 1.076 -0.831 1.00 0.00 H new ATOM 0 HD2 PHE A 59 0.657 1.044 -3.201 1.00 0.00 H new ATOM 0 HE1 PHE A 59 2.910 0.302 1.109 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -0.634 0.270 -1.261 1.00 0.00 H new ATOM 0 HZ PHE A 59 0.489 -0.100 0.899 1.00 0.00 H new ATOM 769 N ARG A 60 4.701 -0.960 -5.122 1.00 0.00 N ATOM 770 CA ARG A 60 4.822 -1.576 -6.443 1.00 0.00 C ATOM 771 C ARG A 60 3.599 -2.435 -6.768 1.00 0.00 C ATOM 772 O ARG A 60 3.492 -3.573 -6.310 1.00 0.00 O ATOM 773 CB ARG A 60 6.095 -2.427 -6.520 1.00 0.00 C ATOM 774 CG ARG A 60 7.354 -1.681 -6.107 1.00 0.00 C ATOM 775 CD ARG A 60 8.555 -2.108 -6.934 1.00 0.00 C ATOM 776 NE ARG A 60 9.817 -1.702 -6.316 1.00 0.00 N ATOM 777 CZ ARG A 60 10.250 -0.440 -6.257 1.00 0.00 C ATOM 778 NH1 ARG A 60 9.531 0.548 -6.789 1.00 0.00 N ATOM 779 NH2 ARG A 60 11.409 -0.165 -5.667 1.00 0.00 N ATOM 0 H ARG A 60 4.548 -1.621 -4.360 1.00 0.00 H new ATOM 0 HA ARG A 60 4.882 -0.775 -7.180 1.00 0.00 H new ATOM 0 HB2 ARG A 60 5.976 -3.302 -5.881 1.00 0.00 H new ATOM 0 HB3 ARG A 60 6.217 -2.791 -7.540 1.00 0.00 H new ATOM 0 HG2 ARG A 60 7.196 -0.609 -6.221 1.00 0.00 H new ATOM 0 HG3 ARG A 60 7.555 -1.863 -5.051 1.00 0.00 H new ATOM 0 HD2 ARG A 60 8.544 -3.191 -7.058 1.00 0.00 H new ATOM 0 HD3 ARG A 60 8.483 -1.672 -7.931 1.00 0.00 H new ATOM 0 HE ARG A 60 10.403 -2.428 -5.904 1.00 0.00 H new ATOM 0 HH11 ARG A 60 8.642 0.343 -7.246 1.00 0.00 H new ATOM 0 HH12 ARG A 60 9.869 1.509 -6.739 1.00 0.00 H new ATOM 0 HH21 ARG A 60 11.965 -0.917 -5.261 1.00 0.00 H new ATOM 0 HH22 ARG A 60 11.742 0.798 -5.621 1.00 0.00 H new ATOM 793 N PHE A 61 2.680 -1.887 -7.563 1.00 0.00 N ATOM 794 CA PHE A 61 1.469 -2.610 -7.950 1.00 0.00 C ATOM 795 C PHE A 61 1.701 -3.403 -9.234 1.00 0.00 C ATOM 796 O PHE A 61 1.835 -2.824 -10.314 1.00 0.00 O ATOM 797 CB PHE A 61 0.299 -1.639 -8.137 1.00 0.00 C ATOM 798 CG PHE A 61 -0.992 -2.310 -8.528 1.00 0.00 C ATOM 799 CD1 PHE A 61 -1.531 -3.323 -7.748 1.00 0.00 C ATOM 800 CD2 PHE A 61 -1.664 -1.930 -9.680 1.00 0.00 C ATOM 801 CE1 PHE A 61 -2.716 -3.938 -8.106 1.00 0.00 C ATOM 802 CE2 PHE A 61 -2.850 -2.543 -10.042 1.00 0.00 C ATOM 803 CZ PHE A 61 -3.375 -3.550 -9.256 1.00 0.00 C ATOM 0 H PHE A 61 2.751 -0.946 -7.951 1.00 0.00 H new ATOM 0 HA PHE A 61 1.221 -3.308 -7.150 1.00 0.00 H new ATOM 0 HB2 PHE A 61 0.145 -1.088 -7.209 1.00 0.00 H new ATOM 0 HB3 PHE A 61 0.564 -0.909 -8.901 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -1.018 -3.635 -6.850 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -1.257 -1.146 -10.302 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -3.126 -4.722 -7.487 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -3.365 -2.234 -10.939 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.298 -4.033 -9.540 1.00 0.00 H new ATOM 813 N ASP A 62 1.752 -4.730 -9.105 1.00 0.00 N ATOM 814 CA ASP A 62 1.973 -5.615 -10.250 1.00 0.00 C ATOM 815 C ASP A 62 3.276 -5.266 -10.974 1.00 0.00 C ATOM 816 O ASP A 62 3.356 -5.333 -12.203 1.00 0.00 O ATOM 817 CB ASP A 62 0.788 -5.536 -11.221 1.00 0.00 C ATOM 818 CG ASP A 62 0.466 -6.876 -11.858 1.00 0.00 C ATOM 819 OD1 ASP A 62 0.254 -7.854 -11.110 1.00 0.00 O ATOM 820 OD2 ASP A 62 0.423 -6.946 -13.104 1.00 0.00 O ATOM 0 H ASP A 62 1.643 -5.217 -8.215 1.00 0.00 H new ATOM 0 HA ASP A 62 2.056 -6.636 -9.876 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -0.090 -5.171 -10.688 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.011 -4.810 -12.003 1.00 0.00 H new ATOM 825 N GLY A 63 4.296 -4.890 -10.201 1.00 0.00 N ATOM 826 CA GLY A 63 5.581 -4.533 -10.779 1.00 0.00 C ATOM 827 C GLY A 63 5.602 -3.122 -11.353 1.00 0.00 C ATOM 828 O GLY A 63 6.390 -2.830 -12.255 1.00 0.00 O ATOM 0 H GLY A 63 4.253 -4.827 -9.184 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.354 -4.621 -10.015 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.829 -5.244 -11.567 1.00 0.00 H new ATOM 832 N GLN A 64 4.739 -2.246 -10.833 1.00 0.00 N ATOM 833 CA GLN A 64 4.669 -0.864 -11.303 1.00 0.00 C ATOM 834 C GLN A 64 4.927 0.115 -10.156 1.00 0.00 C ATOM 835 O GLN A 64 4.253 0.062 -9.126 1.00 0.00 O ATOM 836 CB GLN A 64 3.301 -0.588 -11.934 1.00 0.00 C ATOM 837 CG GLN A 64 3.379 -0.128 -13.381 1.00 0.00 C ATOM 838 CD GLN A 64 2.599 1.148 -13.629 1.00 0.00 C ATOM 839 OE1 GLN A 64 3.127 2.250 -13.483 1.00 0.00 O ATOM 840 NE2 GLN A 64 1.333 1.005 -14.007 1.00 0.00 N ATOM 0 H GLN A 64 4.080 -2.471 -10.087 1.00 0.00 H new ATOM 0 HA GLN A 64 5.443 -0.720 -12.057 1.00 0.00 H new ATOM 0 HB2 GLN A 64 2.697 -1.494 -11.882 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.786 0.173 -11.347 1.00 0.00 H new ATOM 0 HG2 GLN A 64 4.423 0.030 -13.653 1.00 0.00 H new ATOM 0 HG3 GLN A 64 2.996 -0.916 -14.030 1.00 0.00 H new ATOM 0 HE21 GLN A 64 0.936 0.072 -14.116 1.00 0.00 H new ATOM 0 HE22 GLN A 64 0.759 1.828 -14.188 1.00 0.00 H new ATOM 849 N PRO A 65 5.913 1.024 -10.319 1.00 0.00 N ATOM 850 CA PRO A 65 6.263 2.015 -9.291 1.00 0.00 C ATOM 851 C PRO A 65 5.178 3.073 -9.097 1.00 0.00 C ATOM 852 O PRO A 65 4.740 3.710 -10.059 1.00 0.00 O ATOM 853 CB PRO A 65 7.543 2.659 -9.834 1.00 0.00 C ATOM 854 CG PRO A 65 7.472 2.463 -11.308 1.00 0.00 C ATOM 855 CD PRO A 65 6.768 1.151 -11.517 1.00 0.00 C ATOM 0 HA PRO A 65 6.382 1.551 -8.312 1.00 0.00 H new ATOM 0 HB2 PRO A 65 7.593 3.717 -9.578 1.00 0.00 H new ATOM 0 HB3 PRO A 65 8.432 2.187 -9.415 1.00 0.00 H new ATOM 0 HG2 PRO A 65 6.928 3.278 -11.784 1.00 0.00 H new ATOM 0 HG3 PRO A 65 8.469 2.445 -11.748 1.00 0.00 H new ATOM 0 HD2 PRO A 65 6.177 1.154 -12.433 1.00 0.00 H new ATOM 0 HD3 PRO A 65 7.474 0.325 -11.596 1.00 0.00 H new ATOM 863 N ILE A 66 4.752 3.255 -7.847 1.00 0.00 N ATOM 864 CA ILE A 66 3.718 4.237 -7.517 1.00 0.00 C ATOM 865 C ILE A 66 3.954 4.853 -6.136 1.00 0.00 C ATOM 866 O ILE A 66 4.689 4.300 -5.314 1.00 0.00 O ATOM 867 CB ILE A 66 2.304 3.612 -7.551 1.00 0.00 C ATOM 868 CG1 ILE A 66 2.262 2.320 -6.727 1.00 0.00 C ATOM 869 CG2 ILE A 66 1.872 3.347 -8.987 1.00 0.00 C ATOM 870 CD1 ILE A 66 0.924 2.064 -6.067 1.00 0.00 C ATOM 0 H ILE A 66 5.107 2.735 -7.045 1.00 0.00 H new ATOM 0 HA ILE A 66 3.780 5.017 -8.276 1.00 0.00 H new ATOM 0 HB ILE A 66 1.606 4.321 -7.107 1.00 0.00 H new ATOM 0 HG12 ILE A 66 2.505 1.478 -7.375 1.00 0.00 H new ATOM 0 HG13 ILE A 66 3.034 2.364 -5.959 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.875 2.907 -8.992 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.857 4.285 -9.542 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.574 2.659 -9.457 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.969 1.133 -5.502 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.688 2.887 -5.393 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.150 1.987 -6.831 1.00 0.00 H new ATOM 882 N ASN A 67 3.323 6.002 -5.892 1.00 0.00 N ATOM 883 CA ASN A 67 3.452 6.702 -4.613 1.00 0.00 C ATOM 884 C ASN A 67 2.164 6.590 -3.795 1.00 0.00 C ATOM 885 O ASN A 67 1.155 6.072 -4.279 1.00 0.00 O ATOM 886 CB ASN A 67 3.791 8.180 -4.846 1.00 0.00 C ATOM 887 CG ASN A 67 5.269 8.409 -5.116 1.00 0.00 C ATOM 888 OD1 ASN A 67 5.874 7.727 -5.943 1.00 0.00 O ATOM 889 ND2 ASN A 67 5.858 9.376 -4.419 1.00 0.00 N ATOM 0 H ASN A 67 2.716 6.469 -6.565 1.00 0.00 H new ATOM 0 HA ASN A 67 4.261 6.232 -4.053 1.00 0.00 H new ATOM 0 HB2 ASN A 67 3.210 8.553 -5.690 1.00 0.00 H new ATOM 0 HB3 ASN A 67 3.492 8.759 -3.972 1.00 0.00 H new ATOM 0 HD21 ASN A 67 6.848 9.576 -4.560 1.00 0.00 H new ATOM 0 HD22 ASN A 67 5.320 9.918 -3.743 1.00 0.00 H new ATOM 896 N GLU A 68 2.202 7.087 -2.556 1.00 0.00 N ATOM 897 CA GLU A 68 1.033 7.049 -1.673 1.00 0.00 C ATOM 898 C GLU A 68 0.051 8.187 -1.984 1.00 0.00 C ATOM 899 O GLU A 68 -0.983 8.315 -1.325 1.00 0.00 O ATOM 900 CB GLU A 68 1.460 7.110 -0.198 1.00 0.00 C ATOM 901 CG GLU A 68 2.439 8.232 0.124 1.00 0.00 C ATOM 902 CD GLU A 68 3.872 7.744 0.240 1.00 0.00 C ATOM 903 OE1 GLU A 68 4.543 7.618 -0.807 1.00 0.00 O ATOM 904 OE2 GLU A 68 4.321 7.487 1.377 1.00 0.00 O ATOM 0 H GLU A 68 3.028 7.520 -2.142 1.00 0.00 H new ATOM 0 HA GLU A 68 0.522 6.103 -1.854 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.571 7.230 0.421 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.913 6.158 0.077 1.00 0.00 H new ATOM 0 HG2 GLU A 68 2.381 8.994 -0.653 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.145 8.708 1.059 1.00 0.00 H new ATOM 911 N THR A 69 0.368 9.009 -2.990 1.00 0.00 N ATOM 912 CA THR A 69 -0.502 10.122 -3.372 1.00 0.00 C ATOM 913 C THR A 69 -1.491 9.724 -4.474 1.00 0.00 C ATOM 914 O THR A 69 -2.285 10.553 -4.925 1.00 0.00 O ATOM 915 CB THR A 69 0.333 11.319 -3.839 1.00 0.00 C ATOM 916 OG1 THR A 69 1.281 10.928 -4.822 1.00 0.00 O ATOM 917 CG2 THR A 69 1.081 12.004 -2.713 1.00 0.00 C ATOM 0 H THR A 69 1.216 8.924 -3.550 1.00 0.00 H new ATOM 0 HA THR A 69 -1.076 10.399 -2.488 1.00 0.00 H new ATOM 0 HB THR A 69 -0.386 12.025 -4.254 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.800 11.710 -5.105 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.652 12.842 -3.112 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.369 12.370 -1.973 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.761 11.294 -2.243 1.00 0.00 H new ATOM 925 N ASP A 70 -1.445 8.462 -4.911 1.00 0.00 N ATOM 926 CA ASP A 70 -2.343 7.986 -5.961 1.00 0.00 C ATOM 927 C ASP A 70 -3.801 8.017 -5.502 1.00 0.00 C ATOM 928 O ASP A 70 -4.090 8.296 -4.338 1.00 0.00 O ATOM 929 CB ASP A 70 -1.957 6.570 -6.394 1.00 0.00 C ATOM 930 CG ASP A 70 -2.220 6.317 -7.869 1.00 0.00 C ATOM 931 OD1 ASP A 70 -1.914 7.206 -8.693 1.00 0.00 O ATOM 932 OD2 ASP A 70 -2.728 5.227 -8.200 1.00 0.00 O ATOM 0 H ASP A 70 -0.799 7.757 -4.555 1.00 0.00 H new ATOM 0 HA ASP A 70 -2.242 8.657 -6.814 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -0.900 6.405 -6.184 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -2.516 5.847 -5.800 1.00 0.00 H new ATOM 937 N THR A 71 -4.715 7.727 -6.430 1.00 0.00 N ATOM 938 CA THR A 71 -6.149 7.725 -6.136 1.00 0.00 C ATOM 939 C THR A 71 -6.950 7.075 -7.269 1.00 0.00 C ATOM 940 O THR A 71 -7.691 6.122 -7.032 1.00 0.00 O ATOM 941 CB THR A 71 -6.666 9.152 -5.884 1.00 0.00 C ATOM 942 OG1 THR A 71 -5.670 10.126 -6.165 1.00 0.00 O ATOM 943 CG2 THR A 71 -7.134 9.370 -4.462 1.00 0.00 C ATOM 0 H THR A 71 -4.486 7.490 -7.395 1.00 0.00 H new ATOM 0 HA THR A 71 -6.290 7.136 -5.230 1.00 0.00 H new ATOM 0 HB THR A 71 -7.514 9.266 -6.559 1.00 0.00 H new ATOM 0 HG1 THR A 71 -6.031 11.021 -5.996 1.00 0.00 H new ATOM 0 HG21 THR A 71 -7.486 10.395 -4.348 1.00 0.00 H new ATOM 0 HG22 THR A 71 -7.947 8.680 -4.237 1.00 0.00 H new ATOM 0 HG23 THR A 71 -6.306 9.193 -3.775 1.00 0.00 H new ATOM 951 N PRO A 72 -6.823 7.578 -8.522 1.00 0.00 N ATOM 952 CA PRO A 72 -7.553 7.025 -9.671 1.00 0.00 C ATOM 953 C PRO A 72 -7.429 5.505 -9.776 1.00 0.00 C ATOM 954 O PRO A 72 -8.421 4.814 -10.008 1.00 0.00 O ATOM 955 CB PRO A 72 -6.892 7.702 -10.872 1.00 0.00 C ATOM 956 CG PRO A 72 -6.388 8.995 -10.338 1.00 0.00 C ATOM 957 CD PRO A 72 -5.970 8.721 -8.918 1.00 0.00 C ATOM 0 HA PRO A 72 -8.624 7.211 -9.594 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -6.081 7.095 -11.273 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.605 7.858 -11.682 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.548 9.361 -10.929 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -7.162 9.762 -10.376 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.911 8.473 -8.852 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -6.135 9.587 -8.277 1.00 0.00 H new ATOM 965 N ALA A 73 -6.212 4.991 -9.593 1.00 0.00 N ATOM 966 CA ALA A 73 -5.972 3.551 -9.658 1.00 0.00 C ATOM 967 C ALA A 73 -6.563 2.847 -8.438 1.00 0.00 C ATOM 968 O ALA A 73 -7.163 1.778 -8.558 1.00 0.00 O ATOM 969 CB ALA A 73 -4.481 3.264 -9.769 1.00 0.00 C ATOM 0 H ALA A 73 -5.381 5.549 -9.399 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.467 3.163 -10.548 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -4.320 2.187 -9.816 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -4.087 3.730 -10.672 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.967 3.670 -8.898 1.00 0.00 H new ATOM 975 N GLN A 74 -6.395 3.459 -7.264 1.00 0.00 N ATOM 976 CA GLN A 74 -6.918 2.899 -6.021 1.00 0.00 C ATOM 977 C GLN A 74 -8.446 2.825 -6.054 1.00 0.00 C ATOM 978 O GLN A 74 -9.039 1.868 -5.557 1.00 0.00 O ATOM 979 CB GLN A 74 -6.468 3.741 -4.822 1.00 0.00 C ATOM 980 CG GLN A 74 -6.880 3.153 -3.479 1.00 0.00 C ATOM 981 CD GLN A 74 -5.782 2.336 -2.826 1.00 0.00 C ATOM 982 OE1 GLN A 74 -5.283 2.689 -1.759 1.00 0.00 O ATOM 983 NE2 GLN A 74 -5.403 1.232 -3.462 1.00 0.00 N ATOM 0 H GLN A 74 -5.900 4.344 -7.150 1.00 0.00 H new ATOM 0 HA GLN A 74 -6.522 1.889 -5.918 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -5.383 3.844 -4.847 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -6.886 4.743 -4.915 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -7.171 3.962 -2.809 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -7.759 2.524 -3.619 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -5.844 0.976 -4.346 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -4.672 0.641 -3.066 1.00 0.00 H new ATOM 992 N LEU A 75 -9.075 3.842 -6.644 1.00 0.00 N ATOM 993 CA LEU A 75 -10.530 3.895 -6.746 1.00 0.00 C ATOM 994 C LEU A 75 -11.025 2.997 -7.876 1.00 0.00 C ATOM 995 O LEU A 75 -12.104 2.408 -7.786 1.00 0.00 O ATOM 996 CB LEU A 75 -10.989 5.336 -6.980 1.00 0.00 C ATOM 997 CG LEU A 75 -12.225 5.760 -6.184 1.00 0.00 C ATOM 998 CD1 LEU A 75 -12.074 7.189 -5.682 1.00 0.00 C ATOM 999 CD2 LEU A 75 -13.482 5.614 -7.032 1.00 0.00 C ATOM 0 H LEU A 75 -8.596 4.641 -7.059 1.00 0.00 H new ATOM 0 HA LEU A 75 -10.954 3.534 -5.809 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -10.167 6.008 -6.731 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -11.197 5.467 -8.042 1.00 0.00 H new ATOM 0 HG LEU A 75 -12.320 5.104 -5.318 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -12.963 7.472 -5.118 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -11.198 7.257 -5.037 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -11.953 7.862 -6.531 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -14.351 5.920 -6.450 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -13.399 6.244 -7.918 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -13.597 4.574 -7.336 1.00 0.00 H new ATOM 1011 N GLU A 76 -10.226 2.893 -8.939 1.00 0.00 N ATOM 1012 CA GLU A 76 -10.577 2.063 -10.088 1.00 0.00 C ATOM 1013 C GLU A 76 -10.538 0.571 -9.729 1.00 0.00 C ATOM 1014 O GLU A 76 -11.162 -0.251 -10.404 1.00 0.00 O ATOM 1015 CB GLU A 76 -9.634 2.351 -11.262 1.00 0.00 C ATOM 1016 CG GLU A 76 -10.092 1.747 -12.584 1.00 0.00 C ATOM 1017 CD GLU A 76 -9.901 2.682 -13.766 1.00 0.00 C ATOM 1018 OE1 GLU A 76 -8.857 3.368 -13.825 1.00 0.00 O ATOM 1019 OE2 GLU A 76 -10.795 2.724 -14.636 1.00 0.00 O ATOM 0 H GLU A 76 -9.331 3.374 -9.026 1.00 0.00 H new ATOM 0 HA GLU A 76 -11.596 2.313 -10.383 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -9.537 3.430 -11.381 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.643 1.966 -11.022 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -9.540 0.825 -12.765 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -11.146 1.478 -12.508 1.00 0.00 H new ATOM 1026 N MET A 77 -9.806 0.228 -8.662 1.00 0.00 N ATOM 1027 CA MET A 77 -9.692 -1.162 -8.215 1.00 0.00 C ATOM 1028 C MET A 77 -11.061 -1.723 -7.811 1.00 0.00 C ATOM 1029 O MET A 77 -12.066 -1.008 -7.849 1.00 0.00 O ATOM 1030 CB MET A 77 -8.707 -1.266 -7.045 1.00 0.00 C ATOM 1031 CG MET A 77 -7.323 -1.745 -7.461 1.00 0.00 C ATOM 1032 SD MET A 77 -6.122 -1.668 -6.118 1.00 0.00 S ATOM 1033 CE MET A 77 -4.874 -0.608 -6.846 1.00 0.00 C ATOM 0 H MET A 77 -9.285 0.895 -8.093 1.00 0.00 H new ATOM 0 HA MET A 77 -9.314 -1.756 -9.047 1.00 0.00 H new ATOM 0 HB2 MET A 77 -8.617 -0.290 -6.567 1.00 0.00 H new ATOM 0 HB3 MET A 77 -9.111 -1.950 -6.299 1.00 0.00 H new ATOM 0 HG2 MET A 77 -7.392 -2.771 -7.822 1.00 0.00 H new ATOM 0 HG3 MET A 77 -6.969 -1.138 -8.294 1.00 0.00 H new ATOM 0 HE1 MET A 77 -4.104 -0.391 -6.106 1.00 0.00 H new ATOM 0 HE2 MET A 77 -4.424 -1.111 -7.702 1.00 0.00 H new ATOM 0 HE3 MET A 77 -5.334 0.324 -7.174 1.00 0.00 H new ATOM 1043 N GLU A 78 -11.102 -3.004 -7.431 1.00 0.00 N ATOM 1044 CA GLU A 78 -12.359 -3.640 -7.040 1.00 0.00 C ATOM 1045 C GLU A 78 -12.342 -4.068 -5.573 1.00 0.00 C ATOM 1046 O GLU A 78 -13.135 -3.575 -4.768 1.00 0.00 O ATOM 1047 CB GLU A 78 -12.641 -4.854 -7.934 1.00 0.00 C ATOM 1048 CG GLU A 78 -14.107 -5.007 -8.310 1.00 0.00 C ATOM 1049 CD GLU A 78 -14.450 -6.411 -8.771 1.00 0.00 C ATOM 1050 OE1 GLU A 78 -14.215 -7.367 -8.000 1.00 0.00 O ATOM 1051 OE2 GLU A 78 -14.957 -6.555 -9.902 1.00 0.00 O ATOM 0 H GLU A 78 -10.286 -3.614 -7.387 1.00 0.00 H new ATOM 0 HA GLU A 78 -13.153 -2.904 -7.167 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -12.048 -4.769 -8.845 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -12.310 -5.757 -7.421 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -14.727 -4.749 -7.451 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -14.350 -4.299 -9.102 1.00 0.00 H new ATOM 1058 N ASP A 79 -11.445 -4.997 -5.238 1.00 0.00 N ATOM 1059 CA ASP A 79 -11.333 -5.505 -3.871 1.00 0.00 C ATOM 1060 C ASP A 79 -10.095 -6.383 -3.709 1.00 0.00 C ATOM 1061 O ASP A 79 -9.268 -6.150 -2.827 1.00 0.00 O ATOM 1062 CB ASP A 79 -12.583 -6.319 -3.512 1.00 0.00 C ATOM 1063 CG ASP A 79 -12.754 -6.522 -2.016 1.00 0.00 C ATOM 1064 OD1 ASP A 79 -11.752 -6.832 -1.336 1.00 0.00 O ATOM 1065 OD2 ASP A 79 -13.894 -6.379 -1.524 1.00 0.00 O ATOM 0 H ASP A 79 -10.785 -5.413 -5.896 1.00 0.00 H new ATOM 0 HA ASP A 79 -11.243 -4.650 -3.201 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -13.464 -5.813 -3.907 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -12.528 -7.292 -4.001 1.00 0.00 H new ATOM 1070 N GLU A 80 -9.987 -7.396 -4.566 1.00 0.00 N ATOM 1071 CA GLU A 80 -8.865 -8.330 -4.526 1.00 0.00 C ATOM 1072 C GLU A 80 -7.688 -7.811 -5.341 1.00 0.00 C ATOM 1073 O GLU A 80 -7.737 -7.784 -6.573 1.00 0.00 O ATOM 1074 CB GLU A 80 -9.306 -9.695 -5.051 1.00 0.00 C ATOM 1075 CG GLU A 80 -9.593 -10.702 -3.952 1.00 0.00 C ATOM 1076 CD GLU A 80 -9.012 -12.068 -4.253 1.00 0.00 C ATOM 1077 OE1 GLU A 80 -9.463 -12.702 -5.231 1.00 0.00 O ATOM 1078 OE2 GLU A 80 -8.104 -12.504 -3.515 1.00 0.00 O ATOM 0 H GLU A 80 -10.667 -7.591 -5.300 1.00 0.00 H new ATOM 0 HA GLU A 80 -8.540 -8.429 -3.490 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -10.201 -9.569 -5.661 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -8.529 -10.093 -5.704 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -9.183 -10.335 -3.011 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -10.671 -10.791 -3.817 1.00 0.00 H new ATOM 1085 N ASP A 81 -6.631 -7.398 -4.643 1.00 0.00 N ATOM 1086 CA ASP A 81 -5.436 -6.870 -5.299 1.00 0.00 C ATOM 1087 C ASP A 81 -4.185 -7.119 -4.454 1.00 0.00 C ATOM 1088 O ASP A 81 -4.280 -7.433 -3.266 1.00 0.00 O ATOM 1089 CB ASP A 81 -5.609 -5.371 -5.562 1.00 0.00 C ATOM 1090 CG ASP A 81 -6.542 -5.093 -6.726 1.00 0.00 C ATOM 1091 OD1 ASP A 81 -6.077 -5.142 -7.884 1.00 0.00 O ATOM 1092 OD2 ASP A 81 -7.739 -4.830 -6.479 1.00 0.00 O ATOM 0 H ASP A 81 -6.578 -7.419 -3.625 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.307 -7.390 -6.248 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -5.998 -4.890 -4.665 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -4.635 -4.926 -5.766 1.00 0.00 H new ATOM 1097 N THR A 82 -3.012 -6.982 -5.073 1.00 0.00 N ATOM 1098 CA THR A 82 -1.747 -7.198 -4.371 1.00 0.00 C ATOM 1099 C THR A 82 -0.664 -6.231 -4.856 1.00 0.00 C ATOM 1100 O THR A 82 -0.666 -5.806 -6.014 1.00 0.00 O ATOM 1101 CB THR A 82 -1.286 -8.650 -4.542 1.00 0.00 C ATOM 1102 OG1 THR A 82 -0.033 -8.863 -3.912 1.00 0.00 O ATOM 1103 CG2 THR A 82 -1.152 -9.072 -5.989 1.00 0.00 C ATOM 0 H THR A 82 -2.912 -6.724 -6.055 1.00 0.00 H new ATOM 0 HA THR A 82 -1.914 -7.002 -3.312 1.00 0.00 H new ATOM 0 HB THR A 82 -2.066 -9.252 -4.076 1.00 0.00 H new ATOM 0 HG1 THR A 82 0.240 -9.797 -4.033 1.00 0.00 H new ATOM 0 HG21 THR A 82 -0.822 -10.110 -6.036 1.00 0.00 H new ATOM 0 HG22 THR A 82 -2.117 -8.974 -6.487 1.00 0.00 H new ATOM 0 HG23 THR A 82 -0.420 -8.436 -6.487 1.00 0.00 H new ATOM 1111 N ILE A 83 0.253 -5.885 -3.949 1.00 0.00 N ATOM 1112 CA ILE A 83 1.346 -4.959 -4.254 1.00 0.00 C ATOM 1113 C ILE A 83 2.662 -5.408 -3.612 1.00 0.00 C ATOM 1114 O ILE A 83 2.698 -6.380 -2.855 1.00 0.00 O ATOM 1115 CB ILE A 83 1.019 -3.532 -3.760 1.00 0.00 C ATOM 1116 CG1 ILE A 83 0.593 -3.556 -2.288 1.00 0.00 C ATOM 1117 CG2 ILE A 83 -0.070 -2.906 -4.617 1.00 0.00 C ATOM 1118 CD1 ILE A 83 1.397 -2.626 -1.408 1.00 0.00 C ATOM 0 H ILE A 83 0.259 -6.235 -2.991 1.00 0.00 H new ATOM 0 HA ILE A 83 1.459 -4.957 -5.338 1.00 0.00 H new ATOM 0 HB ILE A 83 1.920 -2.925 -3.849 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -0.461 -3.286 -2.219 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.687 -4.573 -1.908 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.287 -1.901 -4.254 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.267 -2.853 -5.652 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -0.972 -3.515 -4.560 1.00 0.00 H new ATOM 0 HD11 ILE A 83 1.039 -2.697 -0.381 1.00 0.00 H new ATOM 0 HD12 ILE A 83 2.449 -2.908 -1.446 1.00 0.00 H new ATOM 0 HD13 ILE A 83 1.283 -1.601 -1.762 1.00 0.00 H new ATOM 1130 N ASP A 84 3.740 -4.683 -3.917 1.00 0.00 N ATOM 1131 CA ASP A 84 5.058 -4.986 -3.375 1.00 0.00 C ATOM 1132 C ASP A 84 5.667 -3.745 -2.733 1.00 0.00 C ATOM 1133 O ASP A 84 6.154 -2.851 -3.428 1.00 0.00 O ATOM 1134 CB ASP A 84 5.980 -5.507 -4.481 1.00 0.00 C ATOM 1135 CG ASP A 84 6.270 -6.988 -4.345 1.00 0.00 C ATOM 1136 OD1 ASP A 84 5.342 -7.797 -4.557 1.00 0.00 O ATOM 1137 OD2 ASP A 84 7.425 -7.340 -4.028 1.00 0.00 O ATOM 0 H ASP A 84 3.721 -3.877 -4.542 1.00 0.00 H new ATOM 0 HA ASP A 84 4.948 -5.758 -2.613 1.00 0.00 H new ATOM 0 HB2 ASP A 84 5.521 -5.318 -5.451 1.00 0.00 H new ATOM 0 HB3 ASP A 84 6.918 -4.953 -4.458 1.00 0.00 H new ATOM 1142 N VAL A 85 5.632 -3.688 -1.405 1.00 0.00 N ATOM 1143 CA VAL A 85 6.178 -2.549 -0.680 1.00 0.00 C ATOM 1144 C VAL A 85 7.697 -2.648 -0.560 1.00 0.00 C ATOM 1145 O VAL A 85 8.230 -3.620 -0.021 1.00 0.00 O ATOM 1146 CB VAL A 85 5.550 -2.409 0.724 1.00 0.00 C ATOM 1147 CG1 VAL A 85 5.876 -3.613 1.596 1.00 0.00 C ATOM 1148 CG2 VAL A 85 6.012 -1.119 1.387 1.00 0.00 C ATOM 0 H VAL A 85 5.232 -4.415 -0.812 1.00 0.00 H new ATOM 0 HA VAL A 85 5.927 -1.659 -1.257 1.00 0.00 H new ATOM 0 HB VAL A 85 4.467 -2.369 0.608 1.00 0.00 H new ATOM 0 HG11 VAL A 85 5.420 -3.485 2.578 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.485 -4.517 1.129 1.00 0.00 H new ATOM 0 HG13 VAL A 85 6.957 -3.700 1.706 1.00 0.00 H new ATOM 0 HG21 VAL A 85 5.560 -1.036 2.375 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.098 -1.128 1.484 1.00 0.00 H new ATOM 0 HG23 VAL A 85 5.709 -0.268 0.777 1.00 0.00 H new ATOM 1158 N PHE A 86 8.383 -1.633 -1.076 1.00 0.00 N ATOM 1159 CA PHE A 86 9.842 -1.585 -1.042 1.00 0.00 C ATOM 1160 C PHE A 86 10.326 -0.420 -0.183 1.00 0.00 C ATOM 1161 O PHE A 86 9.721 0.651 -0.181 1.00 0.00 O ATOM 1162 CB PHE A 86 10.388 -1.448 -2.465 1.00 0.00 C ATOM 1163 CG PHE A 86 10.723 -2.763 -3.113 1.00 0.00 C ATOM 1164 CD1 PHE A 86 9.784 -3.782 -3.180 1.00 0.00 C ATOM 1165 CD2 PHE A 86 11.979 -2.980 -3.654 1.00 0.00 C ATOM 1166 CE1 PHE A 86 10.093 -4.990 -3.774 1.00 0.00 C ATOM 1167 CE2 PHE A 86 12.294 -4.186 -4.250 1.00 0.00 C ATOM 1168 CZ PHE A 86 11.350 -5.193 -4.309 1.00 0.00 C ATOM 0 H PHE A 86 7.949 -0.827 -1.526 1.00 0.00 H new ATOM 0 HA PHE A 86 10.210 -2.512 -0.601 1.00 0.00 H new ATOM 0 HB2 PHE A 86 9.652 -0.928 -3.078 1.00 0.00 H new ATOM 0 HB3 PHE A 86 11.282 -0.825 -2.443 1.00 0.00 H new ATOM 0 HD1 PHE A 86 8.800 -3.629 -2.763 1.00 0.00 H new ATOM 0 HD2 PHE A 86 12.721 -2.197 -3.610 1.00 0.00 H new ATOM 0 HE1 PHE A 86 9.353 -5.775 -3.820 1.00 0.00 H new ATOM 0 HE2 PHE A 86 13.277 -4.341 -4.669 1.00 0.00 H new ATOM 0 HZ PHE A 86 11.595 -6.137 -4.773 1.00 0.00 H new ATOM 1178 N GLN A 87 11.419 -0.633 0.547 1.00 0.00 N ATOM 1179 CA GLN A 87 11.978 0.407 1.409 1.00 0.00 C ATOM 1180 C GLN A 87 13.499 0.471 1.284 1.00 0.00 C ATOM 1181 O GLN A 87 14.183 -0.549 1.386 1.00 0.00 O ATOM 1182 CB GLN A 87 11.583 0.163 2.870 1.00 0.00 C ATOM 1183 CG GLN A 87 11.716 -1.287 3.306 1.00 0.00 C ATOM 1184 CD GLN A 87 10.942 -1.594 4.574 1.00 0.00 C ATOM 1185 OE1 GLN A 87 11.351 -1.215 5.671 1.00 0.00 O ATOM 1186 NE2 GLN A 87 9.818 -2.286 4.429 1.00 0.00 N ATOM 0 H GLN A 87 11.934 -1.513 0.559 1.00 0.00 H new ATOM 0 HA GLN A 87 11.568 1.363 1.084 1.00 0.00 H new ATOM 0 HB2 GLN A 87 12.205 0.785 3.514 1.00 0.00 H new ATOM 0 HB3 GLN A 87 10.552 0.484 3.017 1.00 0.00 H new ATOM 0 HG2 GLN A 87 11.363 -1.936 2.505 1.00 0.00 H new ATOM 0 HG3 GLN A 87 12.769 -1.519 3.464 1.00 0.00 H new ATOM 0 HE21 GLN A 87 9.516 -2.580 3.500 1.00 0.00 H new ATOM 0 HE22 GLN A 87 9.256 -2.523 5.247 1.00 0.00 H new ATOM 1195 N GLN A 88 14.019 1.681 1.064 1.00 0.00 N ATOM 1196 CA GLN A 88 15.461 1.893 0.925 1.00 0.00 C ATOM 1197 C GLN A 88 15.794 3.385 0.844 1.00 0.00 C ATOM 1198 O GLN A 88 14.899 4.227 0.746 1.00 0.00 O ATOM 1199 CB GLN A 88 15.993 1.176 -0.322 1.00 0.00 C ATOM 1200 CG GLN A 88 15.221 1.499 -1.594 1.00 0.00 C ATOM 1201 CD GLN A 88 14.292 0.376 -2.015 1.00 0.00 C ATOM 1202 OE1 GLN A 88 13.072 0.541 -2.043 1.00 0.00 O ATOM 1203 NE2 GLN A 88 14.866 -0.775 -2.347 1.00 0.00 N ATOM 0 H GLN A 88 13.461 2.530 0.978 1.00 0.00 H new ATOM 0 HA GLN A 88 15.943 1.477 1.810 1.00 0.00 H new ATOM 0 HB2 GLN A 88 17.040 1.445 -0.465 1.00 0.00 H new ATOM 0 HB3 GLN A 88 15.961 0.100 -0.152 1.00 0.00 H new ATOM 0 HG2 GLN A 88 14.639 2.408 -1.440 1.00 0.00 H new ATOM 0 HG3 GLN A 88 15.926 1.704 -2.400 1.00 0.00 H new ATOM 0 HE21 GLN A 88 15.881 -0.868 -2.310 1.00 0.00 H new ATOM 0 HE22 GLN A 88 14.292 -1.566 -2.639 1.00 0.00 H new ATOM 1212 N GLN A 89 17.090 3.700 0.882 1.00 0.00 N ATOM 1213 CA GLN A 89 17.553 5.085 0.807 1.00 0.00 C ATOM 1214 C GLN A 89 19.066 5.144 0.607 1.00 0.00 C ATOM 1215 O GLN A 89 19.554 5.802 -0.313 1.00 0.00 O ATOM 1216 CB GLN A 89 17.166 5.854 2.074 1.00 0.00 C ATOM 1217 CG GLN A 89 16.572 7.227 1.793 1.00 0.00 C ATOM 1218 CD GLN A 89 17.106 8.302 2.722 1.00 0.00 C ATOM 1219 OE1 GLN A 89 17.769 9.242 2.284 1.00 0.00 O ATOM 1220 NE2 GLN A 89 16.821 8.169 4.013 1.00 0.00 N ATOM 0 H GLN A 89 17.839 3.012 0.965 1.00 0.00 H new ATOM 0 HA GLN A 89 17.069 5.552 -0.051 1.00 0.00 H new ATOM 0 HB2 GLN A 89 16.446 5.265 2.642 1.00 0.00 H new ATOM 0 HB3 GLN A 89 18.049 5.970 2.703 1.00 0.00 H new ATOM 0 HG2 GLN A 89 16.786 7.506 0.761 1.00 0.00 H new ATOM 0 HG3 GLN A 89 15.488 7.175 1.891 1.00 0.00 H new ATOM 0 HE21 GLN A 89 16.268 7.374 4.334 1.00 0.00 H new ATOM 0 HE22 GLN A 89 17.155 8.862 4.683 1.00 0.00 H new ATOM 1229 N THR A 90 19.802 4.449 1.475 1.00 0.00 N ATOM 1230 CA THR A 90 21.261 4.416 1.399 1.00 0.00 C ATOM 1231 C THR A 90 21.729 3.346 0.410 1.00 0.00 C ATOM 1232 O THR A 90 22.360 2.358 0.795 1.00 0.00 O ATOM 1233 CB THR A 90 21.858 4.157 2.788 1.00 0.00 C ATOM 1234 OG1 THR A 90 21.070 3.224 3.510 1.00 0.00 O ATOM 1235 CG2 THR A 90 21.973 5.409 3.632 1.00 0.00 C ATOM 0 H THR A 90 19.410 3.900 2.240 1.00 0.00 H new ATOM 0 HA THR A 90 21.609 5.385 1.042 1.00 0.00 H new ATOM 0 HB THR A 90 22.859 3.768 2.603 1.00 0.00 H new ATOM 0 HG1 THR A 90 21.469 3.072 4.392 1.00 0.00 H new ATOM 0 HG21 THR A 90 22.402 5.156 4.601 1.00 0.00 H new ATOM 0 HG22 THR A 90 22.616 6.130 3.127 1.00 0.00 H new ATOM 0 HG23 THR A 90 20.984 5.843 3.776 1.00 0.00 H new ATOM 1243 N GLY A 91 21.410 3.553 -0.868 1.00 0.00 N ATOM 1244 CA GLY A 91 21.797 2.607 -1.900 1.00 0.00 C ATOM 1245 C GLY A 91 20.624 2.179 -2.763 1.00 0.00 C ATOM 1246 O GLY A 91 19.554 1.847 -2.246 1.00 0.00 O ATOM 0 H GLY A 91 20.889 4.362 -1.206 1.00 0.00 H new ATOM 0 HA2 GLY A 91 22.564 3.056 -2.531 1.00 0.00 H new ATOM 0 HA3 GLY A 91 22.242 1.728 -1.434 1.00 0.00 H new ATOM 1250 N GLY A 92 20.824 2.188 -4.081 1.00 0.00 N ATOM 1251 CA GLY A 92 19.768 1.796 -5.000 1.00 0.00 C ATOM 1252 C GLY A 92 20.144 2.016 -6.453 1.00 0.00 C ATOM 1253 O GLY A 92 19.842 1.135 -7.283 1.00 0.00 O ATOM 0 H GLY A 92 21.700 2.460 -4.528 1.00 0.00 H new ATOM 0 HA2 GLY A 92 19.530 0.743 -4.846 1.00 0.00 H new ATOM 0 HA3 GLY A 92 18.865 2.363 -4.773 1.00 0.00 H new TER 1257 GLY A 92