USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 449 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 40 SER OG : rot 150:sc= -0.516 USER MOD Set 1.2: A 43 THR OG1 : rot 117:sc= 1.14 USER MOD Set 2.1: A 28 TYR OH : rot 130:sc= -0.0906 USER MOD Set 2.2: A 36 LYS NZ :NH3+ -106:sc= 0.807 (180deg=0.563) USER MOD Set 2.3: A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.892 X(o=-0.89,f=-0.93) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.117 K(o=-0.12,f=-0.83!) USER MOD Single : A 31 HIS : no HD1:sc= -0.0825 X(o=-0.082,f=0.0073) USER MOD Single : A 34 SER OG : rot 30:sc= -4.14! USER MOD Single : A 38 HIS : no HD1:sc= -0.988 K(o=-0.99,f=-1.7) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HD1:sc= -1.35 K(o=-1.3,f=-2.9!) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.709 K(o=-0.71,f=-2.1!) USER MOD Single : A 51 MET CE :methyl 175:sc= -0.0732 (180deg=-0.143) USER MOD Single : A 52 MET CE :methyl 146:sc= -6.18! (180deg=-9.02!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.0895 X(o=-0.089,f=-0.47) USER MOD Single : A 58 HIS : no HD1:sc= -0.531 X(o=-0.53,f=-0.27) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.0641 K(o=-0.064,f=-0.72) USER MOD Single : A 66 CYS SG : rot -170:sc= -0.0788 USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 15 6.874 -2.039 -8.454 1.00 0.00 N ATOM 2 CA LEU A 15 6.159 -3.165 -9.030 1.00 0.00 C ATOM 3 C LEU A 15 5.396 -3.899 -7.925 1.00 0.00 C ATOM 4 O LEU A 15 4.167 -3.936 -7.933 1.00 0.00 O ATOM 5 CB LEU A 15 7.116 -4.064 -9.816 1.00 0.00 C ATOM 6 CG LEU A 15 7.464 -3.595 -11.231 1.00 0.00 C ATOM 7 CD1 LEU A 15 8.663 -4.368 -11.784 1.00 0.00 C ATOM 8 CD2 LEU A 15 6.249 -3.685 -12.154 1.00 0.00 C ATOM 0 HA LEU A 15 5.420 -2.816 -9.752 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.041 -4.161 -9.248 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.677 -5.059 -9.882 1.00 0.00 H new ATOM 0 HG LEU A 15 7.752 -2.545 -11.182 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.890 -4.016 -12.790 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.528 -4.208 -11.140 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.427 -5.432 -11.816 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.525 -3.346 -13.153 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.906 -4.718 -12.204 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.449 -3.055 -11.765 1.00 0.00 H new ATOM 19 N ARG A 16 6.158 -4.464 -7.000 1.00 0.00 N ATOM 20 CA ARG A 16 5.570 -5.195 -5.890 1.00 0.00 C ATOM 21 C ARG A 16 4.693 -4.265 -5.048 1.00 0.00 C ATOM 22 O ARG A 16 3.517 -4.549 -4.823 1.00 0.00 O ATOM 23 CB ARG A 16 6.651 -5.810 -5.000 1.00 0.00 C ATOM 24 CG ARG A 16 6.788 -7.312 -5.262 1.00 0.00 C ATOM 25 CD ARG A 16 7.288 -7.577 -6.684 1.00 0.00 C ATOM 26 NE ARG A 16 7.242 -9.028 -6.974 1.00 0.00 N ATOM 27 CZ ARG A 16 7.530 -9.567 -8.177 1.00 0.00 C ATOM 28 NH1 ARG A 16 7.886 -8.780 -9.214 1.00 0.00 N ATOM 29 NH2 ARG A 16 7.455 -10.877 -8.325 1.00 0.00 N ATOM 0 H ARG A 16 7.177 -4.430 -6.996 1.00 0.00 H new ATOM 0 HA ARG A 16 4.961 -5.997 -6.307 1.00 0.00 H new ATOM 0 HB2 ARG A 16 7.605 -5.316 -5.186 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.404 -5.641 -3.952 1.00 0.00 H new ATOM 0 HG2 ARG A 16 7.480 -7.749 -4.542 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.825 -7.800 -5.115 1.00 0.00 H new ATOM 0 HD2 ARG A 16 6.673 -7.035 -7.402 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.308 -7.208 -6.795 1.00 0.00 H new ATOM 0 HE ARG A 16 6.976 -9.659 -6.218 1.00 0.00 H new ATOM 0 HH11 ARG A 16 7.939 -7.769 -9.092 1.00 0.00 H new ATOM 0 HH12 ARG A 16 8.102 -9.197 -10.120 1.00 0.00 H new ATOM 0 HH21 ARG A 16 7.183 -11.465 -7.537 1.00 0.00 H new ATOM 0 HH22 ARG A 16 7.669 -11.301 -9.227 1.00 0.00 H new ATOM 39 N GLU A 17 5.300 -3.175 -4.603 1.00 0.00 N ATOM 40 CA GLU A 17 4.590 -2.202 -3.790 1.00 0.00 C ATOM 41 C GLU A 17 3.734 -1.294 -4.675 1.00 0.00 C ATOM 42 O GLU A 17 2.677 -0.828 -4.254 1.00 0.00 O ATOM 43 CB GLU A 17 5.564 -1.381 -2.943 1.00 0.00 C ATOM 44 CG GLU A 17 6.478 -2.291 -2.120 1.00 0.00 C ATOM 45 CD GLU A 17 7.691 -2.736 -2.939 1.00 0.00 C ATOM 46 OE1 GLU A 17 8.046 -3.924 -2.926 1.00 0.00 O ATOM 47 OE2 GLU A 17 8.272 -1.798 -3.607 1.00 0.00 O ATOM 0 H GLU A 17 6.276 -2.944 -4.790 1.00 0.00 H new ATOM 0 HA GLU A 17 3.930 -2.739 -3.109 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.167 -0.744 -3.591 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.006 -0.722 -2.277 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.812 -1.764 -1.226 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.920 -3.166 -1.785 1.00 0.00 H new ATOM 53 N ARG A 18 4.223 -1.070 -5.887 1.00 0.00 N ATOM 54 CA ARG A 18 3.516 -0.226 -6.835 1.00 0.00 C ATOM 55 C ARG A 18 2.074 -0.711 -7.004 1.00 0.00 C ATOM 56 O ARG A 18 1.168 0.091 -7.222 1.00 0.00 O ATOM 57 CB ARG A 18 4.211 -0.229 -8.198 1.00 0.00 C ATOM 58 CG ARG A 18 5.186 0.945 -8.319 1.00 0.00 C ATOM 59 CD ARG A 18 5.359 1.366 -9.780 1.00 0.00 C ATOM 60 NE ARG A 18 6.725 1.891 -9.997 1.00 0.00 N ATOM 61 CZ ARG A 18 7.217 2.246 -11.203 1.00 0.00 C ATOM 62 NH1 ARG A 18 6.455 2.137 -12.312 1.00 0.00 N ATOM 63 NH2 ARG A 18 8.453 2.702 -11.281 1.00 0.00 N ATOM 0 H ARG A 18 5.100 -1.459 -6.233 1.00 0.00 H new ATOM 0 HA ARG A 18 3.517 0.790 -6.441 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.748 -1.168 -8.334 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.465 -0.170 -8.991 1.00 0.00 H new ATOM 0 HG2 ARG A 18 4.819 1.789 -7.735 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.153 0.664 -7.901 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.179 0.514 -10.436 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.623 2.127 -10.037 1.00 0.00 H new ATOM 0 HE ARG A 18 7.333 1.991 -9.184 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.500 1.784 -12.242 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.834 2.407 -13.220 1.00 0.00 H new ATOM 0 HH21 ARG A 18 9.021 2.782 -10.438 1.00 0.00 H new ATOM 0 HH22 ARG A 18 8.840 2.975 -12.185 1.00 0.00 H new ATOM 73 N GLN A 19 1.908 -2.021 -6.897 1.00 0.00 N ATOM 74 CA GLN A 19 0.592 -2.621 -7.035 1.00 0.00 C ATOM 75 C GLN A 19 -0.123 -2.652 -5.682 1.00 0.00 C ATOM 76 O GLN A 19 -1.339 -2.488 -5.615 1.00 0.00 O ATOM 77 CB GLN A 19 0.690 -4.026 -7.635 1.00 0.00 C ATOM 78 CG GLN A 19 0.773 -5.086 -6.536 1.00 0.00 C ATOM 79 CD GLN A 19 0.872 -6.491 -7.136 1.00 0.00 C ATOM 80 OE1 GLN A 19 1.021 -6.673 -8.333 1.00 0.00 O ATOM 81 NE2 GLN A 19 0.782 -7.470 -6.239 1.00 0.00 N ATOM 0 H GLN A 19 2.662 -2.683 -6.716 1.00 0.00 H new ATOM 0 HA GLN A 19 0.006 -2.008 -7.720 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -0.178 -4.218 -8.265 1.00 0.00 H new ATOM 0 HB3 GLN A 19 1.569 -4.091 -8.276 1.00 0.00 H new ATOM 0 HG2 GLN A 19 1.641 -4.894 -5.905 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -0.107 -5.021 -5.896 1.00 0.00 H new ATOM 0 HE21 GLN A 19 0.658 -7.247 -5.251 1.00 0.00 H new ATOM 0 HE22 GLN A 19 0.837 -8.443 -6.539 1.00 0.00 H new ATOM 88 N VAL A 20 0.664 -2.864 -4.637 1.00 0.00 N ATOM 89 CA VAL A 20 0.122 -2.917 -3.290 1.00 0.00 C ATOM 90 C VAL A 20 -0.289 -1.510 -2.854 1.00 0.00 C ATOM 91 O VAL A 20 -1.363 -1.322 -2.284 1.00 0.00 O ATOM 92 CB VAL A 20 1.137 -3.563 -2.344 1.00 0.00 C ATOM 93 CG1 VAL A 20 0.555 -3.716 -0.938 1.00 0.00 C ATOM 94 CG2 VAL A 20 1.614 -4.911 -2.890 1.00 0.00 C ATOM 0 H VAL A 20 1.673 -3.001 -4.696 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.772 -3.540 -3.262 1.00 0.00 H new ATOM 0 HB VAL A 20 2.002 -2.903 -2.278 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.296 -4.177 -0.286 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.287 -2.735 -0.546 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.334 -4.345 -0.979 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.334 -5.349 -2.199 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.762 -5.582 -2.999 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.086 -4.764 -3.861 1.00 0.00 H new ATOM 104 N LEU A 21 0.585 -0.556 -3.141 1.00 0.00 N ATOM 105 CA LEU A 21 0.326 0.827 -2.785 1.00 0.00 C ATOM 106 C LEU A 21 -0.950 1.300 -3.487 1.00 0.00 C ATOM 107 O LEU A 21 -1.930 1.652 -2.830 1.00 0.00 O ATOM 108 CB LEU A 21 1.549 1.697 -3.083 1.00 0.00 C ATOM 109 CG LEU A 21 1.853 2.799 -2.067 1.00 0.00 C ATOM 110 CD1 LEU A 21 2.565 3.979 -2.733 1.00 0.00 C ATOM 111 CD2 LEU A 21 0.584 3.235 -1.333 1.00 0.00 C ATOM 0 H LEU A 21 1.473 -0.715 -3.616 1.00 0.00 H new ATOM 0 HA LEU A 21 0.154 0.917 -1.712 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.422 1.048 -3.157 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.411 2.160 -4.060 1.00 0.00 H new ATOM 0 HG LEU A 21 2.534 2.394 -1.318 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.769 4.748 -1.988 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.504 3.638 -3.169 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.930 4.392 -3.516 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.829 4.019 -0.617 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.141 3.615 -2.053 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.158 2.382 -0.805 1.00 0.00 H new ATOM 122 N LYS A 22 -0.896 1.291 -4.810 1.00 0.00 N ATOM 123 CA LYS A 22 -2.036 1.714 -5.608 1.00 0.00 C ATOM 124 C LYS A 22 -3.308 1.076 -5.050 1.00 0.00 C ATOM 125 O LYS A 22 -4.368 1.701 -5.040 1.00 0.00 O ATOM 126 CB LYS A 22 -1.795 1.411 -7.088 1.00 0.00 C ATOM 127 CG LYS A 22 -1.351 2.668 -7.839 1.00 0.00 C ATOM 128 CD LYS A 22 -0.543 2.305 -9.087 1.00 0.00 C ATOM 129 CE LYS A 22 0.301 3.491 -9.557 1.00 0.00 C ATOM 130 NZ LYS A 22 1.621 3.487 -8.887 1.00 0.00 N ATOM 0 H LYS A 22 -0.082 0.998 -5.350 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.166 2.794 -5.544 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.034 0.637 -7.185 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.708 1.019 -7.536 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -2.225 3.253 -8.125 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.749 3.295 -7.181 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.105 1.456 -8.871 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.218 1.996 -9.885 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.435 3.444 -10.638 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.220 4.424 -9.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.181 4.299 -9.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.488 3.554 -7.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.123 2.605 -9.114 1.00 0.00 H new ATOM 139 N LEU A 23 -3.163 -0.162 -4.598 1.00 0.00 N ATOM 140 CA LEU A 23 -4.289 -0.891 -4.039 1.00 0.00 C ATOM 141 C LEU A 23 -4.581 -0.368 -2.631 1.00 0.00 C ATOM 142 O LEU A 23 -5.694 0.072 -2.347 1.00 0.00 O ATOM 143 CB LEU A 23 -4.030 -2.398 -4.094 1.00 0.00 C ATOM 144 CG LEU A 23 -5.021 -3.277 -3.326 1.00 0.00 C ATOM 145 CD1 LEU A 23 -5.224 -4.619 -4.031 1.00 0.00 C ATOM 146 CD2 LEU A 23 -4.581 -3.455 -1.871 1.00 0.00 C ATOM 0 H LEU A 23 -2.283 -0.678 -4.608 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.186 -0.722 -4.634 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.032 -2.709 -5.139 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.029 -2.589 -3.707 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.987 -2.772 -3.312 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.932 -5.224 -3.465 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.614 -4.448 -5.034 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.271 -5.143 -4.097 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.302 -4.083 -1.347 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.599 -3.928 -1.843 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.528 -2.481 -1.385 1.00 0.00 H new ATOM 157 N ILE A 24 -3.563 -0.435 -1.786 1.00 0.00 N ATOM 158 CA ILE A 24 -3.698 0.026 -0.414 1.00 0.00 C ATOM 159 C ILE A 24 -4.433 1.367 -0.402 1.00 0.00 C ATOM 160 O ILE A 24 -5.248 1.625 0.483 1.00 0.00 O ATOM 161 CB ILE A 24 -2.331 0.067 0.273 1.00 0.00 C ATOM 162 CG1 ILE A 24 -2.409 -0.519 1.683 1.00 0.00 C ATOM 163 CG2 ILE A 24 -1.760 1.487 0.272 1.00 0.00 C ATOM 164 CD1 ILE A 24 -1.017 -0.632 2.309 1.00 0.00 C ATOM 0 H ILE A 24 -2.641 -0.801 -2.024 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.300 -0.673 0.166 1.00 0.00 H new ATOM 0 HB ILE A 24 -1.643 -0.557 -0.297 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.042 0.111 2.308 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.876 -1.503 1.646 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -0.788 1.489 0.766 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.645 1.832 -0.755 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -2.439 2.153 0.805 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -1.102 -1.052 3.311 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.394 -1.282 1.695 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -0.563 0.357 2.367 1.00 0.00 H new ATOM 175 N ASP A 25 -4.120 2.187 -1.395 1.00 0.00 N ATOM 176 CA ASP A 25 -4.741 3.495 -1.508 1.00 0.00 C ATOM 177 C ASP A 25 -6.255 3.325 -1.655 1.00 0.00 C ATOM 178 O ASP A 25 -7.027 3.955 -0.932 1.00 0.00 O ATOM 179 CB ASP A 25 -4.228 4.244 -2.740 1.00 0.00 C ATOM 180 CG ASP A 25 -2.706 4.355 -2.842 1.00 0.00 C ATOM 181 OD1 ASP A 25 -1.993 4.303 -1.827 1.00 0.00 O ATOM 182 OD2 ASP A 25 -2.248 4.504 -4.038 1.00 0.00 O ATOM 0 H ASP A 25 -3.445 1.970 -2.128 1.00 0.00 H new ATOM 0 HA ASP A 25 -4.494 4.064 -0.611 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -4.601 3.743 -3.633 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.651 5.249 -2.738 1.00 0.00 H new ATOM 187 N GLU A 26 -6.634 2.472 -2.596 1.00 0.00 N ATOM 188 CA GLU A 26 -8.041 2.212 -2.846 1.00 0.00 C ATOM 189 C GLU A 26 -8.774 1.942 -1.529 1.00 0.00 C ATOM 190 O GLU A 26 -9.988 2.122 -1.443 1.00 0.00 O ATOM 191 CB GLU A 26 -8.218 1.045 -3.820 1.00 0.00 C ATOM 192 CG GLU A 26 -9.699 0.794 -4.111 1.00 0.00 C ATOM 193 CD GLU A 26 -10.269 1.879 -5.029 1.00 0.00 C ATOM 194 OE1 GLU A 26 -9.574 2.345 -5.944 1.00 0.00 O ATOM 195 OE2 GLU A 26 -11.480 2.232 -4.767 1.00 0.00 O ATOM 0 H GLU A 26 -5.991 1.953 -3.194 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.477 3.098 -3.307 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.692 1.260 -4.750 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.768 0.145 -3.400 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -9.821 -0.183 -4.578 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.259 0.773 -3.176 1.00 0.00 H new ATOM 201 N GLY A 27 -8.005 1.515 -0.538 1.00 0.00 N ATOM 202 CA GLY A 27 -8.566 1.219 0.769 1.00 0.00 C ATOM 203 C GLY A 27 -8.529 -0.284 1.054 1.00 0.00 C ATOM 204 O GLY A 27 -9.448 -1.013 0.685 1.00 0.00 O ATOM 0 H GLY A 27 -6.999 1.367 -0.614 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.007 1.752 1.538 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -9.595 1.577 0.817 1.00 0.00 H new ATOM 208 N TYR A 28 -7.455 -0.703 1.708 1.00 0.00 N ATOM 209 CA TYR A 28 -7.284 -2.106 2.046 1.00 0.00 C ATOM 210 C TYR A 28 -6.181 -2.287 3.092 1.00 0.00 C ATOM 211 O TYR A 28 -5.111 -2.808 2.785 1.00 0.00 O ATOM 212 CB TYR A 28 -6.864 -2.804 0.753 1.00 0.00 C ATOM 213 CG TYR A 28 -7.947 -2.816 -0.329 1.00 0.00 C ATOM 214 CD1 TYR A 28 -9.165 -3.414 -0.079 1.00 0.00 C ATOM 215 CD2 TYR A 28 -7.705 -2.228 -1.553 1.00 0.00 C ATOM 216 CE1 TYR A 28 -10.183 -3.423 -1.096 1.00 0.00 C ATOM 217 CE2 TYR A 28 -8.723 -2.239 -2.571 1.00 0.00 C ATOM 218 CZ TYR A 28 -9.913 -2.836 -2.292 1.00 0.00 C ATOM 219 OH TYR A 28 -10.874 -2.846 -3.254 1.00 0.00 O ATOM 0 H TYR A 28 -6.695 -0.095 2.013 1.00 0.00 H new ATOM 0 HA TYR A 28 -8.205 -2.516 2.461 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -5.976 -2.311 0.358 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -6.582 -3.832 0.982 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -9.354 -3.875 0.879 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -6.752 -1.759 -1.748 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -11.141 -3.886 -0.913 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -8.546 -1.784 -3.534 1.00 0.00 H new ATOM 0 HH TYR A 28 -10.994 -1.939 -3.606 1.00 0.00 H new ATOM 228 N THR A 29 -6.482 -1.849 4.304 1.00 0.00 N ATOM 229 CA THR A 29 -5.529 -1.955 5.397 1.00 0.00 C ATOM 230 C THR A 29 -4.549 -3.100 5.137 1.00 0.00 C ATOM 231 O THR A 29 -3.489 -2.892 4.547 1.00 0.00 O ATOM 232 CB THR A 29 -6.318 -2.115 6.699 1.00 0.00 C ATOM 233 OG1 THR A 29 -6.887 -0.827 6.920 1.00 0.00 O ATOM 234 CG2 THR A 29 -5.411 -2.335 7.911 1.00 0.00 C ATOM 0 H THR A 29 -7.372 -1.419 4.555 1.00 0.00 H new ATOM 0 HA THR A 29 -4.918 -1.056 5.479 1.00 0.00 H new ATOM 0 HB THR A 29 -7.007 -2.955 6.605 1.00 0.00 H new ATOM 0 HG1 THR A 29 -7.417 -0.841 7.744 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.021 -2.442 8.808 1.00 0.00 H new ATOM 0 HG22 THR A 29 -4.820 -3.239 7.764 1.00 0.00 H new ATOM 0 HG23 THR A 29 -4.744 -1.481 8.026 1.00 0.00 H new ATOM 242 N ASN A 30 -4.934 -4.283 5.593 1.00 0.00 N ATOM 243 CA ASN A 30 -4.102 -5.460 5.416 1.00 0.00 C ATOM 244 C ASN A 30 -4.973 -6.634 4.969 1.00 0.00 C ATOM 245 O ASN A 30 -4.643 -7.328 4.008 1.00 0.00 O ATOM 246 CB ASN A 30 -3.417 -5.852 6.728 1.00 0.00 C ATOM 247 CG ASN A 30 -2.001 -5.280 6.799 1.00 0.00 C ATOM 248 OD1 ASN A 30 -1.599 -4.444 6.005 1.00 0.00 O ATOM 249 ND2 ASN A 30 -1.267 -5.773 7.793 1.00 0.00 N ATOM 0 H ASN A 30 -5.812 -4.451 6.085 1.00 0.00 H new ATOM 0 HA ASN A 30 -3.344 -5.227 4.668 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -4.003 -5.487 7.572 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -3.379 -6.938 6.812 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -0.308 -5.453 7.926 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -1.664 -6.471 8.422 1.00 0.00 H new ATOM 255 N HIS A 31 -6.070 -6.823 5.687 1.00 0.00 N ATOM 256 CA HIS A 31 -6.993 -7.902 5.376 1.00 0.00 C ATOM 257 C HIS A 31 -7.525 -7.727 3.952 1.00 0.00 C ATOM 258 O HIS A 31 -7.954 -8.694 3.324 1.00 0.00 O ATOM 259 CB HIS A 31 -8.108 -7.981 6.420 1.00 0.00 C ATOM 260 CG HIS A 31 -8.639 -9.377 6.648 1.00 0.00 C ATOM 261 ND1 HIS A 31 -8.883 -9.889 7.909 1.00 0.00 N ATOM 262 CD2 HIS A 31 -8.970 -10.359 5.762 1.00 0.00 C ATOM 263 CE1 HIS A 31 -9.341 -11.126 7.777 1.00 0.00 C ATOM 264 NE2 HIS A 31 -9.393 -11.415 6.446 1.00 0.00 N ATOM 0 H HIS A 31 -6.341 -6.247 6.484 1.00 0.00 H new ATOM 0 HA HIS A 31 -6.469 -8.857 5.416 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -7.735 -7.586 7.365 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -8.930 -7.337 6.108 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -8.900 -10.289 4.687 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -9.623 -11.788 8.582 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -9.706 -12.298 6.042 1.00 0.00 H new ATOM 271 N GLY A 32 -7.478 -6.489 3.485 1.00 0.00 N ATOM 272 CA GLY A 32 -7.951 -6.176 2.147 1.00 0.00 C ATOM 273 C GLY A 32 -6.901 -6.542 1.096 1.00 0.00 C ATOM 274 O GLY A 32 -7.197 -7.258 0.141 1.00 0.00 O ATOM 0 H GLY A 32 -7.120 -5.690 4.009 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -8.875 -6.719 1.948 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.184 -5.113 2.079 1.00 0.00 H new ATOM 278 N ILE A 33 -5.696 -6.033 1.307 1.00 0.00 N ATOM 279 CA ILE A 33 -4.600 -6.298 0.390 1.00 0.00 C ATOM 280 C ILE A 33 -4.474 -7.807 0.174 1.00 0.00 C ATOM 281 O ILE A 33 -4.361 -8.268 -0.960 1.00 0.00 O ATOM 282 CB ILE A 33 -3.313 -5.639 0.888 1.00 0.00 C ATOM 283 CG1 ILE A 33 -3.442 -4.114 0.886 1.00 0.00 C ATOM 284 CG2 ILE A 33 -2.105 -6.112 0.078 1.00 0.00 C ATOM 285 CD1 ILE A 33 -2.351 -3.473 0.027 1.00 0.00 C ATOM 0 H ILE A 33 -5.454 -5.438 2.100 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.803 -5.852 -0.584 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.149 -5.948 1.920 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.423 -3.829 0.506 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.374 -3.738 1.907 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.203 -5.628 0.453 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.003 -7.193 0.174 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.246 -5.853 -0.971 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.465 -2.389 0.043 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.372 -3.740 0.424 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.437 -3.832 -0.998 1.00 0.00 H new ATOM 296 N SER A 34 -4.500 -8.536 1.280 1.00 0.00 N ATOM 297 CA SER A 34 -4.391 -9.984 1.227 1.00 0.00 C ATOM 298 C SER A 34 -5.566 -10.568 0.441 1.00 0.00 C ATOM 299 O SER A 34 -5.401 -11.534 -0.303 1.00 0.00 O ATOM 300 CB SER A 34 -4.342 -10.585 2.633 1.00 0.00 C ATOM 301 OG SER A 34 -3.030 -10.537 3.188 1.00 0.00 O ATOM 0 H SER A 34 -4.595 -8.150 2.219 1.00 0.00 H new ATOM 0 HA SER A 34 -3.460 -10.239 0.720 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.031 -10.045 3.283 1.00 0.00 H new ATOM 0 HB3 SER A 34 -4.683 -11.620 2.597 1.00 0.00 H new ATOM 0 HG SER A 34 -2.550 -9.762 2.828 1.00 0.00 H new ATOM 306 N GLU A 35 -6.727 -9.959 0.631 1.00 0.00 N ATOM 307 CA GLU A 35 -7.929 -10.407 -0.050 1.00 0.00 C ATOM 308 C GLU A 35 -7.737 -10.333 -1.567 1.00 0.00 C ATOM 309 O GLU A 35 -8.244 -11.179 -2.301 1.00 0.00 O ATOM 310 CB GLU A 35 -9.146 -9.591 0.389 1.00 0.00 C ATOM 311 CG GLU A 35 -10.133 -10.456 1.176 1.00 0.00 C ATOM 312 CD GLU A 35 -10.975 -11.319 0.233 1.00 0.00 C ATOM 313 OE1 GLU A 35 -11.999 -10.852 -0.286 1.00 0.00 O ATOM 314 OE2 GLU A 35 -10.531 -12.516 0.048 1.00 0.00 O ATOM 0 H GLU A 35 -6.861 -9.158 1.248 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.113 -11.446 0.224 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.822 -8.751 1.004 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.642 -9.172 -0.486 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.589 -11.095 1.871 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -10.786 -9.819 1.773 1.00 0.00 H new ATOM 320 N LYS A 36 -7.006 -9.311 -1.989 1.00 0.00 N ATOM 321 CA LYS A 36 -6.741 -9.116 -3.405 1.00 0.00 C ATOM 322 C LYS A 36 -5.436 -9.822 -3.778 1.00 0.00 C ATOM 323 O LYS A 36 -5.362 -10.497 -4.803 1.00 0.00 O ATOM 324 CB LYS A 36 -6.757 -7.626 -3.752 1.00 0.00 C ATOM 325 CG LYS A 36 -7.885 -6.903 -3.013 1.00 0.00 C ATOM 326 CD LYS A 36 -8.102 -5.500 -3.584 1.00 0.00 C ATOM 327 CE LYS A 36 -9.563 -5.292 -3.990 1.00 0.00 C ATOM 328 NZ LYS A 36 -9.676 -4.190 -4.972 1.00 0.00 N ATOM 0 H LYS A 36 -6.589 -8.610 -1.376 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.530 -9.568 -4.006 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.799 -7.177 -3.489 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.883 -7.501 -4.827 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -8.806 -7.480 -3.095 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.645 -6.835 -1.952 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.817 -4.754 -2.842 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.456 -5.352 -4.449 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.962 -6.211 -4.419 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.163 -5.065 -3.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.078 -3.351 -4.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.733 -3.960 -5.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.296 -4.484 -5.753 1.00 0.00 H new ATOM 337 N LEU A 37 -4.439 -9.639 -2.925 1.00 0.00 N ATOM 338 CA LEU A 37 -3.140 -10.250 -3.153 1.00 0.00 C ATOM 339 C LEU A 37 -3.120 -11.646 -2.527 1.00 0.00 C ATOM 340 O LEU A 37 -2.058 -12.165 -2.187 1.00 0.00 O ATOM 341 CB LEU A 37 -2.022 -9.335 -2.647 1.00 0.00 C ATOM 342 CG LEU A 37 -1.426 -8.373 -3.676 1.00 0.00 C ATOM 343 CD1 LEU A 37 -2.519 -7.772 -4.563 1.00 0.00 C ATOM 344 CD2 LEU A 37 -0.583 -7.295 -2.995 1.00 0.00 C ATOM 0 H LEU A 37 -4.504 -9.077 -2.076 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.961 -10.376 -4.221 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.408 -8.750 -1.813 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.219 -9.959 -2.254 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.759 -8.939 -4.326 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.068 -7.092 -5.286 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.039 -8.571 -5.092 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.230 -7.225 -3.944 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.171 -6.625 -3.749 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.207 -6.726 -2.306 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.231 -7.764 -2.443 1.00 0.00 H new ATOM 355 N HIS A 38 -4.310 -12.217 -2.396 1.00 0.00 N ATOM 356 CA HIS A 38 -4.443 -13.543 -1.818 1.00 0.00 C ATOM 357 C HIS A 38 -3.871 -13.546 -0.399 1.00 0.00 C ATOM 358 O HIS A 38 -2.982 -12.755 -0.082 1.00 0.00 O ATOM 359 CB HIS A 38 -3.795 -14.596 -2.719 1.00 0.00 C ATOM 360 CG HIS A 38 -3.954 -16.013 -2.221 1.00 0.00 C ATOM 361 ND1 HIS A 38 -5.188 -16.577 -1.943 1.00 0.00 N ATOM 362 CD2 HIS A 38 -3.024 -16.973 -1.953 1.00 0.00 C ATOM 363 CE1 HIS A 38 -4.996 -17.820 -1.528 1.00 0.00 C ATOM 364 NE2 HIS A 38 -3.653 -18.063 -1.535 1.00 0.00 N ATOM 0 H HIS A 38 -5.189 -11.785 -2.680 1.00 0.00 H new ATOM 0 HA HIS A 38 -5.498 -13.807 -1.748 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -4.228 -14.522 -3.717 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -2.732 -14.373 -2.815 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -1.955 -16.864 -2.063 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -5.766 -18.518 -1.236 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -3.207 -18.939 -1.263 1.00 0.00 H new ATOM 371 N ILE A 39 -4.404 -14.442 0.419 1.00 0.00 N ATOM 372 CA ILE A 39 -3.957 -14.556 1.798 1.00 0.00 C ATOM 373 C ILE A 39 -2.439 -14.378 1.853 1.00 0.00 C ATOM 374 O ILE A 39 -1.693 -15.214 1.343 1.00 0.00 O ATOM 375 CB ILE A 39 -4.446 -15.869 2.411 1.00 0.00 C ATOM 376 CG1 ILE A 39 -4.363 -15.826 3.938 1.00 0.00 C ATOM 377 CG2 ILE A 39 -3.685 -17.063 1.829 1.00 0.00 C ATOM 378 CD1 ILE A 39 -5.739 -16.053 4.569 1.00 0.00 C ATOM 0 H ILE A 39 -5.141 -15.096 0.154 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.393 -13.765 2.408 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.496 -15.998 2.149 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.668 -16.588 4.290 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.967 -14.862 4.257 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.052 -17.984 2.282 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.839 -17.102 0.751 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -2.621 -16.954 2.040 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.652 -16.018 5.655 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -6.425 -15.275 4.235 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.121 -17.028 4.267 1.00 0.00 H new ATOM 389 N SER A 40 -2.026 -13.286 2.478 1.00 0.00 N ATOM 390 CA SER A 40 -0.610 -12.987 2.606 1.00 0.00 C ATOM 391 C SER A 40 -0.419 -11.662 3.345 1.00 0.00 C ATOM 392 O SER A 40 0.350 -10.806 2.906 1.00 0.00 O ATOM 393 CB SER A 40 0.069 -12.934 1.236 1.00 0.00 C ATOM 394 OG SER A 40 1.359 -13.539 1.255 1.00 0.00 O ATOM 0 H SER A 40 -2.647 -12.597 2.902 1.00 0.00 H new ATOM 0 HA SER A 40 -0.143 -13.787 3.181 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.558 -13.440 0.501 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.160 -11.896 0.917 1.00 0.00 H new ATOM 0 HG SER A 40 1.555 -13.918 0.373 1.00 0.00 H new ATOM 399 N ILE A 41 -1.131 -11.531 4.455 1.00 0.00 N ATOM 400 CA ILE A 41 -1.049 -10.323 5.259 1.00 0.00 C ATOM 401 C ILE A 41 0.410 -10.063 5.634 1.00 0.00 C ATOM 402 O ILE A 41 0.837 -8.912 5.724 1.00 0.00 O ATOM 403 CB ILE A 41 -1.987 -10.418 6.465 1.00 0.00 C ATOM 404 CG1 ILE A 41 -3.451 -10.339 6.028 1.00 0.00 C ATOM 405 CG2 ILE A 41 -1.642 -9.358 7.511 1.00 0.00 C ATOM 406 CD1 ILE A 41 -4.329 -9.789 7.154 1.00 0.00 C ATOM 0 H ILE A 41 -1.767 -12.241 4.817 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.389 -9.460 4.686 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.844 -11.391 6.934 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.538 -9.701 5.149 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.802 -11.330 5.739 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.323 -9.447 8.357 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -0.617 -9.504 7.853 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.739 -8.366 7.070 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.365 -9.743 6.818 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.258 -10.443 8.023 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.990 -8.789 7.424 1.00 0.00 H new ATOM 417 N LYS A 42 1.137 -11.151 5.844 1.00 0.00 N ATOM 418 CA LYS A 42 2.540 -11.054 6.207 1.00 0.00 C ATOM 419 C LYS A 42 3.336 -10.514 5.016 1.00 0.00 C ATOM 420 O LYS A 42 4.164 -9.618 5.175 1.00 0.00 O ATOM 421 CB LYS A 42 3.053 -12.399 6.729 1.00 0.00 C ATOM 422 CG LYS A 42 3.897 -12.211 7.991 1.00 0.00 C ATOM 423 CD LYS A 42 5.163 -13.070 7.936 1.00 0.00 C ATOM 424 CE LYS A 42 6.361 -12.319 8.518 1.00 0.00 C ATOM 425 NZ LYS A 42 7.279 -13.258 9.202 1.00 0.00 N ATOM 0 H LYS A 42 0.780 -12.104 5.770 1.00 0.00 H new ATOM 0 HA LYS A 42 2.672 -10.347 7.026 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.210 -13.055 6.945 1.00 0.00 H new ATOM 0 HB3 LYS A 42 3.648 -12.889 5.959 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.170 -11.161 8.098 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.309 -12.478 8.869 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.004 -13.994 8.492 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.372 -13.351 6.904 1.00 0.00 H new ATOM 0 HE2 LYS A 42 6.892 -11.797 7.722 1.00 0.00 H new ATOM 0 HE3 LYS A 42 6.016 -11.561 9.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 8.087 -12.732 9.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 6.773 -13.737 9.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 7.622 -13.966 8.521 1.00 0.00 H new ATOM 434 N THR A 43 3.055 -11.079 3.853 1.00 0.00 N ATOM 435 CA THR A 43 3.734 -10.665 2.636 1.00 0.00 C ATOM 436 C THR A 43 3.658 -9.146 2.475 1.00 0.00 C ATOM 437 O THR A 43 4.612 -8.519 2.014 1.00 0.00 O ATOM 438 CB THR A 43 3.115 -11.432 1.465 1.00 0.00 C ATOM 439 OG1 THR A 43 3.746 -12.709 1.514 1.00 0.00 O ATOM 440 CG2 THR A 43 3.532 -10.863 0.107 1.00 0.00 C ATOM 0 H THR A 43 2.366 -11.821 3.726 1.00 0.00 H new ATOM 0 HA THR A 43 4.797 -10.904 2.674 1.00 0.00 H new ATOM 0 HB THR A 43 2.029 -11.410 1.550 1.00 0.00 H new ATOM 0 HG1 THR A 43 3.074 -13.399 1.693 1.00 0.00 H new ATOM 0 HG21 THR A 43 3.066 -11.443 -0.689 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.212 -9.824 0.034 1.00 0.00 H new ATOM 0 HG23 THR A 43 4.616 -10.916 0.008 1.00 0.00 H new ATOM 448 N VAL A 44 2.516 -8.598 2.862 1.00 0.00 N ATOM 449 CA VAL A 44 2.304 -7.163 2.767 1.00 0.00 C ATOM 450 C VAL A 44 3.234 -6.448 3.749 1.00 0.00 C ATOM 451 O VAL A 44 3.765 -5.382 3.441 1.00 0.00 O ATOM 452 CB VAL A 44 0.827 -6.837 2.994 1.00 0.00 C ATOM 453 CG1 VAL A 44 0.631 -5.342 3.261 1.00 0.00 C ATOM 454 CG2 VAL A 44 -0.026 -7.298 1.812 1.00 0.00 C ATOM 0 H VAL A 44 1.727 -9.121 3.242 1.00 0.00 H new ATOM 0 HA VAL A 44 2.552 -6.805 1.768 1.00 0.00 H new ATOM 0 HB VAL A 44 0.496 -7.383 3.878 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.428 -5.136 3.419 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.193 -5.054 4.149 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.988 -4.770 2.405 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.071 -7.054 2.000 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.307 -6.794 0.905 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.078 -8.376 1.687 1.00 0.00 H new ATOM 464 N GLU A 45 3.401 -7.063 4.910 1.00 0.00 N ATOM 465 CA GLU A 45 4.257 -6.498 5.939 1.00 0.00 C ATOM 466 C GLU A 45 5.609 -6.097 5.345 1.00 0.00 C ATOM 467 O GLU A 45 6.110 -5.007 5.612 1.00 0.00 O ATOM 468 CB GLU A 45 4.438 -7.477 7.101 1.00 0.00 C ATOM 469 CG GLU A 45 5.023 -6.773 8.327 1.00 0.00 C ATOM 470 CD GLU A 45 4.848 -7.625 9.584 1.00 0.00 C ATOM 471 OE1 GLU A 45 4.569 -8.830 9.484 1.00 0.00 O ATOM 472 OE2 GLU A 45 5.011 -6.995 10.699 1.00 0.00 O ATOM 0 H GLU A 45 2.958 -7.947 5.161 1.00 0.00 H new ATOM 0 HA GLU A 45 3.775 -5.603 6.333 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.477 -7.923 7.358 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.096 -8.291 6.796 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.082 -6.572 8.164 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.533 -5.809 8.466 1.00 0.00 H new ATOM 478 N THR A 46 6.161 -7.003 4.550 1.00 0.00 N ATOM 479 CA THR A 46 7.445 -6.757 3.915 1.00 0.00 C ATOM 480 C THR A 46 7.327 -5.624 2.894 1.00 0.00 C ATOM 481 O THR A 46 8.186 -4.746 2.835 1.00 0.00 O ATOM 482 CB THR A 46 7.931 -8.074 3.308 1.00 0.00 C ATOM 483 OG1 THR A 46 7.917 -8.987 4.402 1.00 0.00 O ATOM 484 CG2 THR A 46 9.401 -8.018 2.887 1.00 0.00 C ATOM 0 H THR A 46 5.743 -7.907 4.332 1.00 0.00 H new ATOM 0 HA THR A 46 8.187 -6.422 4.640 1.00 0.00 H new ATOM 0 HB THR A 46 7.316 -8.324 2.444 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.217 -9.868 4.096 1.00 0.00 H new ATOM 0 HG21 THR A 46 9.695 -8.978 2.463 1.00 0.00 H new ATOM 0 HG22 THR A 46 9.536 -7.235 2.141 1.00 0.00 H new ATOM 0 HG23 THR A 46 10.021 -7.801 3.757 1.00 0.00 H new ATOM 492 N HIS A 47 6.257 -5.682 2.115 1.00 0.00 N ATOM 493 CA HIS A 47 6.016 -4.671 1.100 1.00 0.00 C ATOM 494 C HIS A 47 5.955 -3.289 1.754 1.00 0.00 C ATOM 495 O HIS A 47 6.502 -2.323 1.225 1.00 0.00 O ATOM 496 CB HIS A 47 4.760 -5.001 0.291 1.00 0.00 C ATOM 497 CG HIS A 47 4.903 -6.210 -0.602 1.00 0.00 C ATOM 498 ND1 HIS A 47 3.821 -6.839 -1.191 1.00 0.00 N ATOM 499 CD2 HIS A 47 6.011 -6.898 -0.998 1.00 0.00 C ATOM 500 CE1 HIS A 47 4.268 -7.858 -1.908 1.00 0.00 C ATOM 501 NE2 HIS A 47 5.627 -7.894 -1.787 1.00 0.00 N ATOM 0 H HIS A 47 5.548 -6.413 2.166 1.00 0.00 H new ATOM 0 HA HIS A 47 6.843 -4.661 0.389 1.00 0.00 H new ATOM 0 HB2 HIS A 47 3.931 -5.166 0.979 1.00 0.00 H new ATOM 0 HB3 HIS A 47 4.498 -4.139 -0.322 1.00 0.00 H new ATOM 0 HD2 HIS A 47 7.029 -6.671 -0.717 1.00 0.00 H new ATOM 0 HE1 HIS A 47 3.664 -8.541 -2.487 1.00 0.00 H new ATOM 0 HE2 HIS A 47 6.245 -8.574 -2.230 1.00 0.00 H new ATOM 508 N ARG A 48 5.284 -3.240 2.895 1.00 0.00 N ATOM 509 CA ARG A 48 5.144 -1.993 3.628 1.00 0.00 C ATOM 510 C ARG A 48 6.514 -1.352 3.851 1.00 0.00 C ATOM 511 O ARG A 48 6.707 -0.172 3.558 1.00 0.00 O ATOM 512 CB ARG A 48 4.470 -2.223 4.982 1.00 0.00 C ATOM 513 CG ARG A 48 2.999 -2.605 4.806 1.00 0.00 C ATOM 514 CD ARG A 48 2.230 -2.450 6.119 1.00 0.00 C ATOM 515 NE ARG A 48 2.758 -3.393 7.130 1.00 0.00 N ATOM 516 CZ ARG A 48 2.096 -3.750 8.251 1.00 0.00 C ATOM 517 NH1 ARG A 48 0.873 -3.244 8.515 1.00 0.00 N ATOM 518 NH2 ARG A 48 2.664 -4.602 9.085 1.00 0.00 N ATOM 0 H ARG A 48 4.831 -4.044 3.330 1.00 0.00 H new ATOM 0 HA ARG A 48 4.520 -1.327 3.033 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.992 -3.013 5.522 1.00 0.00 H new ATOM 0 HB3 ARG A 48 4.545 -1.320 5.587 1.00 0.00 H new ATOM 0 HG2 ARG A 48 2.546 -1.977 4.039 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.927 -3.635 4.458 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.319 -1.426 6.483 1.00 0.00 H new ATOM 0 HD3 ARG A 48 1.169 -2.638 5.953 1.00 0.00 H new ATOM 0 HE ARG A 48 3.680 -3.799 6.970 1.00 0.00 H new ATOM 0 HH11 ARG A 48 0.442 -2.587 7.865 1.00 0.00 H new ATOM 0 HH12 ARG A 48 0.380 -3.519 9.364 1.00 0.00 H new ATOM 0 HH21 ARG A 48 3.589 -4.979 8.877 1.00 0.00 H new ATOM 0 HH22 ARG A 48 2.178 -4.883 9.937 1.00 0.00 H new ATOM 528 N MET A 49 7.432 -2.156 4.366 1.00 0.00 N ATOM 529 CA MET A 49 8.780 -1.681 4.632 1.00 0.00 C ATOM 530 C MET A 49 9.369 -0.989 3.400 1.00 0.00 C ATOM 531 O MET A 49 10.086 0.003 3.525 1.00 0.00 O ATOM 532 CB MET A 49 9.668 -2.862 5.029 1.00 0.00 C ATOM 533 CG MET A 49 9.951 -2.853 6.532 1.00 0.00 C ATOM 534 SD MET A 49 11.576 -3.518 6.852 1.00 0.00 S ATOM 535 CE MET A 49 11.405 -3.940 8.578 1.00 0.00 C ATOM 0 H MET A 49 7.269 -3.134 4.606 1.00 0.00 H new ATOM 0 HA MET A 49 8.738 -0.958 5.446 1.00 0.00 H new ATOM 0 HB2 MET A 49 9.181 -3.797 4.752 1.00 0.00 H new ATOM 0 HB3 MET A 49 10.607 -2.817 4.478 1.00 0.00 H new ATOM 0 HG2 MET A 49 9.883 -1.835 6.917 1.00 0.00 H new ATOM 0 HG3 MET A 49 9.198 -3.443 7.056 1.00 0.00 H new ATOM 0 HE1 MET A 49 12.338 -4.372 8.941 1.00 0.00 H new ATOM 0 HE2 MET A 49 11.174 -3.042 9.151 1.00 0.00 H new ATOM 0 HE3 MET A 49 10.599 -4.664 8.697 1.00 0.00 H new ATOM 543 N ASN A 50 9.045 -1.540 2.241 1.00 0.00 N ATOM 544 CA ASN A 50 9.533 -0.988 0.986 1.00 0.00 C ATOM 545 C ASN A 50 8.917 0.394 0.769 1.00 0.00 C ATOM 546 O ASN A 50 9.622 1.350 0.450 1.00 0.00 O ATOM 547 CB ASN A 50 9.140 -1.874 -0.195 1.00 0.00 C ATOM 548 CG ASN A 50 10.345 -2.655 -0.723 1.00 0.00 C ATOM 549 OD1 ASN A 50 11.485 -2.233 -0.616 1.00 0.00 O ATOM 550 ND2 ASN A 50 10.032 -3.813 -1.297 1.00 0.00 N ATOM 0 H ASN A 50 8.451 -2.363 2.142 1.00 0.00 H new ATOM 0 HA ASN A 50 10.620 -0.928 1.043 1.00 0.00 H new ATOM 0 HB2 ASN A 50 8.359 -2.569 0.112 1.00 0.00 H new ATOM 0 HB3 ASN A 50 8.724 -1.259 -0.993 1.00 0.00 H new ATOM 0 HD21 ASN A 50 10.767 -4.407 -1.681 1.00 0.00 H new ATOM 0 HD22 ASN A 50 9.057 -4.107 -1.354 1.00 0.00 H new ATOM 556 N MET A 51 7.605 0.458 0.949 1.00 0.00 N ATOM 557 CA MET A 51 6.886 1.708 0.775 1.00 0.00 C ATOM 558 C MET A 51 7.333 2.745 1.806 1.00 0.00 C ATOM 559 O MET A 51 7.743 3.848 1.444 1.00 0.00 O ATOM 560 CB MET A 51 5.383 1.455 0.923 1.00 0.00 C ATOM 561 CG MET A 51 4.834 0.693 -0.284 1.00 0.00 C ATOM 562 SD MET A 51 4.339 -0.949 0.205 1.00 0.00 S ATOM 563 CE MET A 51 2.778 -0.582 0.992 1.00 0.00 C ATOM 0 H MET A 51 7.022 -0.336 1.214 1.00 0.00 H new ATOM 0 HA MET A 51 7.103 2.096 -0.220 1.00 0.00 H new ATOM 0 HB2 MET A 51 5.194 0.886 1.833 1.00 0.00 H new ATOM 0 HB3 MET A 51 4.859 2.405 1.027 1.00 0.00 H new ATOM 0 HG2 MET A 51 3.983 1.228 -0.706 1.00 0.00 H new ATOM 0 HG3 MET A 51 5.593 0.636 -1.064 1.00 0.00 H new ATOM 0 HE1 MET A 51 2.288 -1.512 1.279 1.00 0.00 H new ATOM 0 HE2 MET A 51 2.952 0.026 1.880 1.00 0.00 H new ATOM 0 HE3 MET A 51 2.140 -0.035 0.298 1.00 0.00 H new ATOM 571 N MET A 52 7.241 2.357 3.069 1.00 0.00 N ATOM 572 CA MET A 52 7.631 3.241 4.154 1.00 0.00 C ATOM 573 C MET A 52 9.032 3.809 3.921 1.00 0.00 C ATOM 574 O MET A 52 9.351 4.898 4.396 1.00 0.00 O ATOM 575 CB MET A 52 7.606 2.469 5.475 1.00 0.00 C ATOM 576 CG MET A 52 6.199 1.953 5.781 1.00 0.00 C ATOM 577 SD MET A 52 5.031 3.303 5.742 1.00 0.00 S ATOM 578 CE MET A 52 4.317 3.047 4.125 1.00 0.00 C ATOM 0 H MET A 52 6.902 1.442 3.366 1.00 0.00 H new ATOM 0 HA MET A 52 6.925 4.071 4.194 1.00 0.00 H new ATOM 0 HB2 MET A 52 8.301 1.631 5.424 1.00 0.00 H new ATOM 0 HB3 MET A 52 7.944 3.115 6.285 1.00 0.00 H new ATOM 0 HG2 MET A 52 5.915 1.194 5.052 1.00 0.00 H new ATOM 0 HG3 MET A 52 6.183 1.476 6.761 1.00 0.00 H new ATOM 0 HE1 MET A 52 3.264 3.330 4.143 1.00 0.00 H new ATOM 0 HE2 MET A 52 4.845 3.659 3.393 1.00 0.00 H new ATOM 0 HE3 MET A 52 4.406 1.996 3.850 1.00 0.00 H new ATOM 586 N ARG A 53 9.832 3.045 3.191 1.00 0.00 N ATOM 587 CA ARG A 53 11.192 3.459 2.890 1.00 0.00 C ATOM 588 C ARG A 53 11.230 4.238 1.574 1.00 0.00 C ATOM 589 O ARG A 53 11.972 5.212 1.445 1.00 0.00 O ATOM 590 CB ARG A 53 12.126 2.251 2.786 1.00 0.00 C ATOM 591 CG ARG A 53 13.587 2.673 2.945 1.00 0.00 C ATOM 592 CD ARG A 53 14.511 1.452 2.966 1.00 0.00 C ATOM 593 NE ARG A 53 14.871 1.067 1.583 1.00 0.00 N ATOM 594 CZ ARG A 53 15.925 1.571 0.907 1.00 0.00 C ATOM 595 NH1 ARG A 53 16.733 2.487 1.483 1.00 0.00 N ATOM 596 NH2 ARG A 53 16.155 1.154 -0.324 1.00 0.00 N ATOM 0 H ARG A 53 9.564 2.142 2.799 1.00 0.00 H new ATOM 0 HA ARG A 53 11.532 4.098 3.705 1.00 0.00 H new ATOM 0 HB2 ARG A 53 11.869 1.521 3.553 1.00 0.00 H new ATOM 0 HB3 ARG A 53 11.988 1.762 1.822 1.00 0.00 H new ATOM 0 HG2 ARG A 53 13.870 3.334 2.125 1.00 0.00 H new ATOM 0 HG3 ARG A 53 13.707 3.241 3.868 1.00 0.00 H new ATOM 0 HD2 ARG A 53 15.412 1.677 3.536 1.00 0.00 H new ATOM 0 HD3 ARG A 53 14.017 0.620 3.467 1.00 0.00 H new ATOM 0 HE ARG A 53 14.286 0.378 1.111 1.00 0.00 H new ATOM 0 HH11 ARG A 53 16.549 2.803 2.435 1.00 0.00 H new ATOM 0 HH12 ARG A 53 17.528 2.863 0.966 1.00 0.00 H new ATOM 0 HH21 ARG A 53 15.540 0.461 -0.751 1.00 0.00 H new ATOM 0 HH22 ARG A 53 16.947 1.525 -0.848 1.00 0.00 H new ATOM 606 N LYS A 54 10.422 3.782 0.630 1.00 0.00 N ATOM 607 CA LYS A 54 10.353 4.424 -0.673 1.00 0.00 C ATOM 608 C LYS A 54 9.655 5.777 -0.532 1.00 0.00 C ATOM 609 O LYS A 54 10.230 6.815 -0.861 1.00 0.00 O ATOM 610 CB LYS A 54 9.696 3.495 -1.695 1.00 0.00 C ATOM 611 CG LYS A 54 10.738 2.617 -2.388 1.00 0.00 C ATOM 612 CD LYS A 54 11.461 3.391 -3.493 1.00 0.00 C ATOM 613 CE LYS A 54 10.984 2.944 -4.876 1.00 0.00 C ATOM 614 NZ LYS A 54 12.138 2.581 -5.728 1.00 0.00 N ATOM 0 H LYS A 54 9.808 2.975 0.740 1.00 0.00 H new ATOM 0 HA LYS A 54 11.355 4.620 -1.055 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.958 2.866 -1.198 1.00 0.00 H new ATOM 0 HB3 LYS A 54 9.162 4.086 -2.438 1.00 0.00 H new ATOM 0 HG2 LYS A 54 11.462 2.260 -1.656 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.253 1.738 -2.812 1.00 0.00 H new ATOM 0 HD2 LYS A 54 11.283 4.459 -3.370 1.00 0.00 H new ATOM 0 HD3 LYS A 54 12.536 3.235 -3.407 1.00 0.00 H new ATOM 0 HE2 LYS A 54 10.314 2.090 -4.778 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.414 3.745 -5.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.798 2.280 -6.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 12.763 3.405 -5.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 12.666 1.802 -5.284 1.00 0.00 H new ATOM 623 N LEU A 55 8.424 5.725 -0.044 1.00 0.00 N ATOM 624 CA LEU A 55 7.641 6.934 0.145 1.00 0.00 C ATOM 625 C LEU A 55 8.217 7.733 1.315 1.00 0.00 C ATOM 626 O LEU A 55 8.025 8.945 1.397 1.00 0.00 O ATOM 627 CB LEU A 55 6.158 6.593 0.304 1.00 0.00 C ATOM 628 CG LEU A 55 5.539 5.753 -0.817 1.00 0.00 C ATOM 629 CD1 LEU A 55 5.105 4.382 -0.296 1.00 0.00 C ATOM 630 CD2 LEU A 55 4.388 6.501 -1.491 1.00 0.00 C ATOM 0 H LEU A 55 7.950 4.863 0.226 1.00 0.00 H new ATOM 0 HA LEU A 55 7.705 7.570 -0.738 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.027 6.060 1.246 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.598 7.525 0.385 1.00 0.00 H new ATOM 0 HG LEU A 55 6.301 5.583 -1.578 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.669 3.805 -1.111 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.971 3.853 0.101 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.365 4.511 0.494 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.966 5.882 -2.283 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.616 6.722 -0.754 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.760 7.433 -1.917 1.00 0.00 H new ATOM 641 N GLN A 56 8.912 7.023 2.191 1.00 0.00 N ATOM 642 CA GLN A 56 9.516 7.650 3.353 1.00 0.00 C ATOM 643 C GLN A 56 8.433 8.193 4.287 1.00 0.00 C ATOM 644 O GLN A 56 8.639 9.201 4.962 1.00 0.00 O ATOM 645 CB GLN A 56 10.486 8.756 2.936 1.00 0.00 C ATOM 646 CG GLN A 56 11.780 8.167 2.370 1.00 0.00 C ATOM 647 CD GLN A 56 13.002 8.933 2.884 1.00 0.00 C ATOM 648 OE1 GLN A 56 13.114 9.261 4.053 1.00 0.00 O ATOM 649 NE2 GLN A 56 13.907 9.198 1.946 1.00 0.00 N ATOM 0 H GLN A 56 9.070 6.018 2.119 1.00 0.00 H new ATOM 0 HA GLN A 56 10.088 6.895 3.893 1.00 0.00 H new ATOM 0 HB2 GLN A 56 10.015 9.394 2.188 1.00 0.00 H new ATOM 0 HB3 GLN A 56 10.715 9.387 3.795 1.00 0.00 H new ATOM 0 HG2 GLN A 56 11.860 7.117 2.652 1.00 0.00 H new ATOM 0 HG3 GLN A 56 11.755 8.204 1.281 1.00 0.00 H new ATOM 0 HE21 GLN A 56 13.750 8.894 0.985 1.00 0.00 H new ATOM 0 HE22 GLN A 56 14.758 9.705 2.187 1.00 0.00 H new ATOM 656 N VAL A 57 7.303 7.501 4.297 1.00 0.00 N ATOM 657 CA VAL A 57 6.187 7.902 5.137 1.00 0.00 C ATOM 658 C VAL A 57 6.337 7.260 6.518 1.00 0.00 C ATOM 659 O VAL A 57 7.454 7.025 6.978 1.00 0.00 O ATOM 660 CB VAL A 57 4.865 7.549 4.453 1.00 0.00 C ATOM 661 CG1 VAL A 57 4.825 8.088 3.023 1.00 0.00 C ATOM 662 CG2 VAL A 57 4.623 6.038 4.477 1.00 0.00 C ATOM 0 H VAL A 57 7.136 6.665 3.737 1.00 0.00 H new ATOM 0 HA VAL A 57 6.185 8.983 5.280 1.00 0.00 H new ATOM 0 HB VAL A 57 4.061 8.027 5.012 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.874 7.823 2.561 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.930 9.173 3.040 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.642 7.653 2.447 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.677 5.813 3.985 1.00 0.00 H new ATOM 0 HG22 VAL A 57 5.434 5.531 3.954 1.00 0.00 H new ATOM 0 HG23 VAL A 57 4.586 5.692 5.510 1.00 0.00 H new ATOM 672 N HIS A 58 5.198 6.994 7.139 1.00 0.00 N ATOM 673 CA HIS A 58 5.188 6.384 8.457 1.00 0.00 C ATOM 674 C HIS A 58 4.736 4.926 8.344 1.00 0.00 C ATOM 675 O HIS A 58 5.559 4.012 8.389 1.00 0.00 O ATOM 676 CB HIS A 58 4.330 7.198 9.426 1.00 0.00 C ATOM 677 CG HIS A 58 5.037 7.573 10.706 1.00 0.00 C ATOM 678 ND1 HIS A 58 4.457 8.371 11.678 1.00 0.00 N ATOM 679 CD2 HIS A 58 6.280 7.252 11.164 1.00 0.00 C ATOM 680 CE1 HIS A 58 5.323 8.518 12.671 1.00 0.00 C ATOM 681 NE2 HIS A 58 6.452 7.823 12.350 1.00 0.00 N ATOM 0 H HIS A 58 4.274 7.190 6.753 1.00 0.00 H new ATOM 0 HA HIS A 58 6.197 6.384 8.870 1.00 0.00 H new ATOM 0 HB2 HIS A 58 3.999 8.108 8.926 1.00 0.00 H new ATOM 0 HB3 HIS A 58 3.435 6.626 9.671 1.00 0.00 H new ATOM 0 HD2 HIS A 58 7.003 6.637 10.649 1.00 0.00 H new ATOM 0 HE1 HIS A 58 5.163 9.087 13.575 1.00 0.00 H new ATOM 0 HE2 HIS A 58 7.291 7.753 12.927 1.00 0.00 H new ATOM 688 N LYS A 59 3.431 4.754 8.201 1.00 0.00 N ATOM 689 CA LYS A 59 2.859 3.424 8.082 1.00 0.00 C ATOM 690 C LYS A 59 1.879 3.398 6.908 1.00 0.00 C ATOM 691 O LYS A 59 1.907 4.279 6.051 1.00 0.00 O ATOM 692 CB LYS A 59 2.240 2.986 9.410 1.00 0.00 C ATOM 693 CG LYS A 59 2.651 1.555 9.762 1.00 0.00 C ATOM 694 CD LYS A 59 3.518 1.529 11.023 1.00 0.00 C ATOM 695 CE LYS A 59 2.656 1.367 12.277 1.00 0.00 C ATOM 696 NZ LYS A 59 2.550 -0.060 12.654 1.00 0.00 N ATOM 0 H LYS A 59 2.752 5.515 8.165 1.00 0.00 H new ATOM 0 HA LYS A 59 3.637 2.693 7.864 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.555 3.664 10.203 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.154 3.051 9.348 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.761 0.944 9.915 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.200 1.115 8.929 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.233 0.709 10.960 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.096 2.451 11.091 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.090 1.935 13.100 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.662 1.776 12.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.962 -0.151 13.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.115 -0.594 11.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.499 -0.440 12.846 1.00 0.00 H new ATOM 705 N VAL A 60 1.034 2.377 6.906 1.00 0.00 N ATOM 706 CA VAL A 60 0.047 2.225 5.850 1.00 0.00 C ATOM 707 C VAL A 60 -0.932 3.399 5.901 1.00 0.00 C ATOM 708 O VAL A 60 -1.401 3.866 4.862 1.00 0.00 O ATOM 709 CB VAL A 60 -0.646 0.865 5.974 1.00 0.00 C ATOM 710 CG1 VAL A 60 -1.814 0.754 4.993 1.00 0.00 C ATOM 711 CG2 VAL A 60 0.352 -0.277 5.773 1.00 0.00 C ATOM 0 H VAL A 60 1.012 1.647 7.618 1.00 0.00 H new ATOM 0 HA VAL A 60 0.528 2.244 4.872 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.049 0.783 6.983 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.289 -0.221 5.101 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.542 1.538 5.204 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.445 0.866 3.974 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.165 -1.232 5.866 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.798 -0.200 4.781 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.135 -0.213 6.529 1.00 0.00 H new ATOM 721 N THR A 61 -1.210 3.846 7.116 1.00 0.00 N ATOM 722 CA THR A 61 -2.123 4.958 7.313 1.00 0.00 C ATOM 723 C THR A 61 -1.586 6.218 6.631 1.00 0.00 C ATOM 724 O THR A 61 -2.266 6.813 5.796 1.00 0.00 O ATOM 725 CB THR A 61 -2.342 5.130 8.819 1.00 0.00 C ATOM 726 OG1 THR A 61 -3.186 4.038 9.173 1.00 0.00 O ATOM 727 CG2 THR A 61 -3.175 6.370 9.152 1.00 0.00 C ATOM 0 H THR A 61 -0.819 3.458 7.974 1.00 0.00 H new ATOM 0 HA THR A 61 -3.089 4.762 6.849 1.00 0.00 H new ATOM 0 HB THR A 61 -1.377 5.197 9.321 1.00 0.00 H new ATOM 0 HG1 THR A 61 -3.377 4.071 10.134 1.00 0.00 H new ATOM 0 HG21 THR A 61 -3.300 6.445 10.232 1.00 0.00 H new ATOM 0 HG22 THR A 61 -2.666 7.260 8.783 1.00 0.00 H new ATOM 0 HG23 THR A 61 -4.153 6.289 8.678 1.00 0.00 H new ATOM 735 N GLU A 62 -0.372 6.587 7.012 1.00 0.00 N ATOM 736 CA GLU A 62 0.264 7.765 6.446 1.00 0.00 C ATOM 737 C GLU A 62 0.432 7.603 4.934 1.00 0.00 C ATOM 738 O GLU A 62 0.355 8.579 4.190 1.00 0.00 O ATOM 739 CB GLU A 62 1.609 8.039 7.121 1.00 0.00 C ATOM 740 CG GLU A 62 2.042 9.490 6.912 1.00 0.00 C ATOM 741 CD GLU A 62 1.194 10.442 7.759 1.00 0.00 C ATOM 742 OE1 GLU A 62 0.116 10.868 7.320 1.00 0.00 O ATOM 743 OE2 GLU A 62 1.691 10.736 8.912 1.00 0.00 O ATOM 0 H GLU A 62 0.188 6.091 7.706 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.380 8.625 6.630 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.534 7.828 8.188 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.366 7.368 6.716 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.094 9.601 7.176 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.948 9.753 5.858 1.00 0.00 H new ATOM 749 N LEU A 63 0.657 6.363 4.525 1.00 0.00 N ATOM 750 CA LEU A 63 0.836 6.060 3.115 1.00 0.00 C ATOM 751 C LEU A 63 -0.430 6.451 2.350 1.00 0.00 C ATOM 752 O LEU A 63 -0.354 7.076 1.293 1.00 0.00 O ATOM 753 CB LEU A 63 1.241 4.598 2.928 1.00 0.00 C ATOM 754 CG LEU A 63 2.252 4.320 1.813 1.00 0.00 C ATOM 755 CD1 LEU A 63 2.356 2.819 1.527 1.00 0.00 C ATOM 756 CD2 LEU A 63 1.913 5.120 0.554 1.00 0.00 C ATOM 0 H LEU A 63 0.719 5.556 5.146 1.00 0.00 H new ATOM 0 HA LEU A 63 1.655 6.648 2.700 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.657 4.234 3.867 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.342 4.015 2.730 1.00 0.00 H new ATOM 0 HG LEU A 63 3.233 4.652 2.152 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.081 2.650 0.731 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.679 2.298 2.429 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.382 2.439 1.218 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.647 4.904 -0.223 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.920 4.841 0.202 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.931 6.185 0.784 1.00 0.00 H new ATOM 767 N LEU A 64 -1.567 6.063 2.912 1.00 0.00 N ATOM 768 CA LEU A 64 -2.847 6.364 2.295 1.00 0.00 C ATOM 769 C LEU A 64 -2.952 7.872 2.059 1.00 0.00 C ATOM 770 O LEU A 64 -3.446 8.307 1.019 1.00 0.00 O ATOM 771 CB LEU A 64 -3.991 5.791 3.133 1.00 0.00 C ATOM 772 CG LEU A 64 -4.058 4.265 3.223 1.00 0.00 C ATOM 773 CD1 LEU A 64 -4.721 3.822 4.529 1.00 0.00 C ATOM 774 CD2 LEU A 64 -4.757 3.674 1.996 1.00 0.00 C ATOM 0 H LEU A 64 -1.627 5.543 3.788 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.924 5.883 1.320 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.911 6.191 4.144 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.933 6.152 2.721 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.039 3.878 3.231 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.756 2.733 4.568 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.145 4.197 5.375 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.735 4.220 4.576 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.791 2.588 2.085 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.772 4.065 1.932 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.206 3.947 1.096 1.00 0.00 H new ATOM 785 N ASN A 65 -2.481 8.627 3.039 1.00 0.00 N ATOM 786 CA ASN A 65 -2.515 10.076 2.951 1.00 0.00 C ATOM 787 C ASN A 65 -1.545 10.541 1.863 1.00 0.00 C ATOM 788 O ASN A 65 -1.660 11.657 1.359 1.00 0.00 O ATOM 789 CB ASN A 65 -2.088 10.720 4.272 1.00 0.00 C ATOM 790 CG ASN A 65 -3.293 11.296 5.015 1.00 0.00 C ATOM 791 OD1 ASN A 65 -4.417 10.840 4.880 1.00 0.00 O ATOM 792 ND2 ASN A 65 -2.999 12.323 5.810 1.00 0.00 N ATOM 0 H ASN A 65 -2.073 8.262 3.900 1.00 0.00 H new ATOM 0 HA ASN A 65 -3.537 10.374 2.719 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -1.590 9.979 4.898 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.364 11.511 4.078 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -3.735 12.776 6.351 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -2.037 12.656 5.878 1.00 0.00 H new ATOM 798 N CYS A 66 -0.611 9.660 1.534 1.00 0.00 N ATOM 799 CA CYS A 66 0.378 9.966 0.514 1.00 0.00 C ATOM 800 C CYS A 66 -0.299 9.880 -0.854 1.00 0.00 C ATOM 801 O CYS A 66 -0.263 10.834 -1.630 1.00 0.00 O ATOM 802 CB CYS A 66 1.592 9.040 0.610 1.00 0.00 C ATOM 803 SG CYS A 66 3.123 10.030 0.772 1.00 0.00 S ATOM 0 H CYS A 66 -0.518 8.736 1.955 1.00 0.00 H new ATOM 0 HA CYS A 66 0.760 10.976 0.665 1.00 0.00 H new ATOM 0 HB2 CYS A 66 1.486 8.376 1.468 1.00 0.00 H new ATOM 0 HB3 CYS A 66 1.649 8.409 -0.277 1.00 0.00 H new ATOM 0 HG CYS A 66 4.158 9.254 0.643 1.00 0.00 H new ATOM 808 N ALA A 67 -0.902 8.727 -1.110 1.00 0.00 N ATOM 809 CA ALA A 67 -1.586 8.504 -2.371 1.00 0.00 C ATOM 810 C ALA A 67 -2.736 9.504 -2.507 1.00 0.00 C ATOM 811 O ALA A 67 -2.913 10.115 -3.560 1.00 0.00 O ATOM 812 CB ALA A 67 -2.064 7.053 -2.444 1.00 0.00 C ATOM 0 H ALA A 67 -0.930 7.938 -0.464 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.907 8.666 -3.209 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.577 6.886 -3.391 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -1.207 6.384 -2.373 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.749 6.854 -1.620 1.00 0.00 H new ATOM 818 N ARG A 68 -3.489 9.640 -1.425 1.00 0.00 N ATOM 819 CA ARG A 68 -4.617 10.555 -1.410 1.00 0.00 C ATOM 820 C ARG A 68 -4.179 11.947 -1.870 1.00 0.00 C ATOM 821 O ARG A 68 -4.976 12.702 -2.424 1.00 0.00 O ATOM 822 CB ARG A 68 -5.225 10.656 -0.009 1.00 0.00 C ATOM 823 CG ARG A 68 -6.727 10.943 -0.083 1.00 0.00 C ATOM 824 CD ARG A 68 -7.378 10.814 1.296 1.00 0.00 C ATOM 825 NE ARG A 68 -8.625 10.023 1.194 1.00 0.00 N ATOM 826 CZ ARG A 68 -9.404 9.700 2.248 1.00 0.00 C ATOM 827 NH1 ARG A 68 -9.070 10.098 3.494 1.00 0.00 N ATOM 828 NH2 ARG A 68 -10.498 8.990 2.041 1.00 0.00 N ATOM 0 H ARG A 68 -3.340 9.132 -0.553 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.370 10.164 -2.094 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.055 9.726 0.533 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -4.727 11.447 0.551 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -6.890 11.947 -0.474 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -7.200 10.250 -0.779 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.688 10.333 1.990 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -7.597 11.803 1.698 1.00 0.00 H new ATOM 0 HE ARG A 68 -8.914 9.702 0.270 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -8.224 10.647 3.644 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -9.664 9.850 4.285 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -10.743 8.694 1.096 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -11.098 8.737 2.826 1.00 0.00 H new ATOM 838 N ARG A 69 -2.912 12.245 -1.622 1.00 0.00 N ATOM 839 CA ARG A 69 -2.357 13.533 -2.003 1.00 0.00 C ATOM 840 C ARG A 69 -1.847 13.485 -3.445 1.00 0.00 C ATOM 841 O ARG A 69 -1.979 14.457 -4.187 1.00 0.00 O ATOM 842 CB ARG A 69 -1.208 13.935 -1.077 1.00 0.00 C ATOM 843 CG ARG A 69 -1.379 15.373 -0.584 1.00 0.00 C ATOM 844 CD ARG A 69 -0.616 16.353 -1.477 1.00 0.00 C ATOM 845 NE ARG A 69 0.087 17.354 -0.645 1.00 0.00 N ATOM 846 CZ ARG A 69 0.918 18.297 -1.136 1.00 0.00 C ATOM 847 NH1 ARG A 69 1.160 18.375 -2.463 1.00 0.00 N ATOM 848 NH2 ARG A 69 1.494 19.142 -0.301 1.00 0.00 N ATOM 0 H ARG A 69 -2.254 11.616 -1.162 1.00 0.00 H new ATOM 0 HA ARG A 69 -3.152 14.274 -1.918 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -1.169 13.257 -0.225 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -0.259 13.838 -1.605 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -2.437 15.634 -0.573 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -1.020 15.455 0.442 1.00 0.00 H new ATOM 0 HD2 ARG A 69 0.102 15.812 -2.094 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -1.307 16.853 -2.156 1.00 0.00 H new ATOM 0 HE ARG A 69 -0.066 17.330 0.363 1.00 0.00 H new ATOM 0 HH11 ARG A 69 0.713 17.718 -3.102 1.00 0.00 H new ATOM 0 HH12 ARG A 69 1.790 19.091 -2.825 1.00 0.00 H new ATOM 0 HH21 ARG A 69 1.308 19.076 0.700 1.00 0.00 H new ATOM 0 HH22 ARG A 69 2.125 19.860 -0.657 1.00 0.00 H new ATOM 858 N MET A 70 -1.276 12.343 -3.799 1.00 0.00 N ATOM 859 CA MET A 70 -0.744 12.156 -5.139 1.00 0.00 C ATOM 860 C MET A 70 -1.871 12.104 -6.172 1.00 0.00 C ATOM 861 O MET A 70 -1.712 12.584 -7.294 1.00 0.00 O ATOM 862 CB MET A 70 0.059 10.854 -5.192 1.00 0.00 C ATOM 863 CG MET A 70 1.528 11.130 -5.516 1.00 0.00 C ATOM 864 SD MET A 70 2.425 9.592 -5.642 1.00 0.00 S ATOM 865 CE MET A 70 4.025 10.116 -5.050 1.00 0.00 C ATOM 0 H MET A 70 -1.170 11.538 -3.182 1.00 0.00 H new ATOM 0 HA MET A 70 -0.098 13.001 -5.376 1.00 0.00 H new ATOM 0 HB2 MET A 70 -0.015 10.337 -4.235 1.00 0.00 H new ATOM 0 HB3 MET A 70 -0.365 10.191 -5.946 1.00 0.00 H new ATOM 0 HG2 MET A 70 1.605 11.683 -6.452 1.00 0.00 H new ATOM 0 HG3 MET A 70 1.969 11.755 -4.740 1.00 0.00 H new ATOM 0 HE1 MET A 70 4.713 9.270 -5.063 1.00 0.00 H new ATOM 0 HE2 MET A 70 4.410 10.907 -5.694 1.00 0.00 H new ATOM 0 HE3 MET A 70 3.931 10.491 -4.031 1.00 0.00 H new ATOM 873 N ARG A 71 -2.985 11.517 -5.758 1.00 0.00 N ATOM 874 CA ARG A 71 -4.137 11.396 -6.634 1.00 0.00 C ATOM 875 C ARG A 71 -3.791 10.536 -7.851 1.00 0.00 C ATOM 876 O ARG A 71 -3.996 10.954 -8.990 1.00 0.00 O ATOM 877 CB ARG A 71 -4.615 12.769 -7.108 1.00 0.00 C ATOM 878 CG ARG A 71 -4.874 13.699 -5.921 1.00 0.00 C ATOM 879 CD ARG A 71 -5.797 14.853 -6.319 1.00 0.00 C ATOM 880 NE ARG A 71 -5.522 16.036 -5.473 1.00 0.00 N ATOM 881 CZ ARG A 71 -5.969 17.280 -5.745 1.00 0.00 C ATOM 882 NH1 ARG A 71 -6.719 17.515 -6.842 1.00 0.00 N ATOM 883 NH2 ARG A 71 -5.662 18.265 -4.921 1.00 0.00 N ATOM 0 H ARG A 71 -3.114 11.120 -4.827 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.937 10.922 -6.065 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -3.866 13.212 -7.765 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.528 12.658 -7.694 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -5.323 13.135 -5.104 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -3.928 14.096 -5.552 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -5.647 15.104 -7.369 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -6.839 14.551 -6.209 1.00 0.00 H new ATOM 0 HE ARG A 71 -4.960 15.903 -4.632 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -6.953 16.749 -7.474 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -7.052 18.459 -7.039 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -5.095 18.080 -4.094 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -5.992 19.211 -5.112 1.00 0.00 H new ATOM 893 N LEU A 72 -3.270 9.350 -7.571 1.00 0.00 N ATOM 894 CA LEU A 72 -2.894 8.428 -8.628 1.00 0.00 C ATOM 895 C LEU A 72 -3.466 7.043 -8.319 1.00 0.00 C ATOM 896 O LEU A 72 -2.759 6.041 -8.412 1.00 0.00 O ATOM 897 CB LEU A 72 -1.377 8.436 -8.830 1.00 0.00 C ATOM 898 CG LEU A 72 -0.775 9.744 -9.348 1.00 0.00 C ATOM 899 CD1 LEU A 72 0.719 9.825 -9.029 1.00 0.00 C ATOM 900 CD2 LEU A 72 -1.054 9.920 -10.841 1.00 0.00 C ATOM 0 H LEU A 72 -3.100 9.007 -6.626 1.00 0.00 H new ATOM 0 HA LEU A 72 -3.321 8.744 -9.580 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.903 8.193 -7.879 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.119 7.639 -9.528 1.00 0.00 H new ATOM 0 HG LEU A 72 -1.258 10.572 -8.830 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.122 10.764 -9.408 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.864 9.778 -7.950 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.238 8.991 -9.502 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.616 10.857 -11.185 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.615 9.090 -11.394 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -2.131 9.939 -11.010 1.00 0.00 H new ATOM 911 N ILE A 73 -4.741 7.033 -7.961 1.00 0.00 N ATOM 912 CA ILE A 73 -5.417 5.786 -7.637 1.00 0.00 C ATOM 913 C ILE A 73 -5.581 4.956 -8.912 1.00 0.00 C ATOM 914 O ILE A 73 -5.268 3.766 -8.926 1.00 0.00 O ATOM 915 CB ILE A 73 -6.734 6.064 -6.911 1.00 0.00 C ATOM 916 CG1 ILE A 73 -6.516 6.995 -5.717 1.00 0.00 C ATOM 917 CG2 ILE A 73 -7.421 4.759 -6.503 1.00 0.00 C ATOM 918 CD1 ILE A 73 -6.131 6.202 -4.466 1.00 0.00 C ATOM 0 H ILE A 73 -5.324 7.867 -7.888 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.817 5.195 -6.945 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.403 6.578 -7.601 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.732 7.715 -5.951 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.425 7.565 -5.525 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -8.355 4.985 -5.989 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.631 4.165 -7.392 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -6.767 4.196 -5.837 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -5.982 6.888 -3.632 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.928 5.500 -4.221 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.208 5.652 -4.653 1.00 0.00 H new ATOM 929 N GLU A 74 -6.070 5.615 -9.952 1.00 0.00 N ATOM 930 CA GLU A 74 -6.280 4.952 -11.227 1.00 0.00 C ATOM 931 C GLU A 74 -7.359 3.876 -11.095 1.00 0.00 C ATOM 932 O GLU A 74 -7.111 2.705 -11.386 1.00 0.00 O ATOM 933 CB GLU A 74 -4.972 4.358 -11.756 1.00 0.00 C ATOM 934 CG GLU A 74 -4.367 5.246 -12.846 1.00 0.00 C ATOM 935 CD GLU A 74 -4.578 4.634 -14.232 1.00 0.00 C ATOM 936 OE1 GLU A 74 -5.671 4.127 -14.527 1.00 0.00 O ATOM 937 OE2 GLU A 74 -3.557 4.700 -15.018 1.00 0.00 O ATOM 0 H GLU A 74 -6.327 6.602 -9.937 1.00 0.00 H new ATOM 0 HA GLU A 74 -6.623 5.693 -11.949 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -4.262 4.247 -10.937 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -5.157 3.361 -12.155 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -4.823 6.235 -12.808 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.301 5.379 -12.662 1.00 0.00 H new ATOM 943 N TYR A 75 -8.530 4.309 -10.658 1.00 0.00 N ATOM 944 CA TYR A 75 -9.648 3.397 -10.484 1.00 0.00 C ATOM 945 C TYR A 75 -10.940 3.998 -11.041 1.00 0.00 C ATOM 946 O TYR A 75 -11.306 3.737 -12.185 1.00 0.00 O ATOM 947 CB TYR A 75 -9.800 3.198 -8.975 1.00 0.00 C ATOM 948 CG TYR A 75 -9.444 1.791 -8.492 1.00 0.00 C ATOM 949 CD1 TYR A 75 -8.133 1.474 -8.197 1.00 0.00 C ATOM 950 CD2 TYR A 75 -10.433 0.839 -8.351 1.00 0.00 C ATOM 951 CE1 TYR A 75 -7.797 0.149 -7.743 1.00 0.00 C ATOM 952 CE2 TYR A 75 -10.096 -0.486 -7.896 1.00 0.00 C ATOM 953 CZ TYR A 75 -8.796 -0.764 -7.615 1.00 0.00 C ATOM 954 OH TYR A 75 -8.479 -2.016 -7.185 1.00 0.00 O ATOM 0 H TYR A 75 -8.731 5.280 -10.419 1.00 0.00 H new ATOM 0 HA TYR A 75 -9.465 2.461 -11.012 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -9.166 3.919 -8.459 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -10.829 3.418 -8.692 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -7.359 2.220 -8.307 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -11.459 1.087 -8.581 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -6.776 -0.113 -7.510 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -10.859 -1.241 -7.781 1.00 0.00 H new ATOM 0 HH TYR A 75 -9.292 -2.562 -7.140 1.00 0.00 H new TER 963 TYR A 75