USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 445 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 Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 MET CE :methyl -112:sc= -7.24! (180deg=-11.3!) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -2.17! C(o=-2.2!,f=-4.3!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.524 K(o=-0.52,f=-6.6!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HD1:sc= -0.179 X(o=-0.18,f=-0.47) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=-0.0089) USER MOD Single : A 39 THR OG1 : rot 90:sc= 0.00554 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= -0.149 X(o=-0.15,f=-0.008) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot -130:sc= -3.31! USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -1.32 K(o=-1.3,f=-6.1!) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 47 N ALA A 5 -4.681 -11.000 1.556 1.00 0.00 N ATOM 48 CA ALA A 5 -3.621 -11.538 0.721 1.00 0.00 C ATOM 49 C ALA A 5 -3.569 -10.759 -0.595 1.00 0.00 C ATOM 50 O ALA A 5 -2.491 -10.389 -1.059 1.00 0.00 O ATOM 51 CB ALA A 5 -3.853 -13.035 0.503 1.00 0.00 C ATOM 0 HA ALA A 5 -2.653 -11.425 1.210 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -3.058 -13.439 -0.124 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -3.853 -13.547 1.465 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -4.814 -13.186 0.012 1.00 0.00 H new ATOM 57 N GLU A 6 -4.746 -10.531 -1.158 1.00 0.00 N ATOM 58 CA GLU A 6 -4.848 -9.803 -2.411 1.00 0.00 C ATOM 59 C GLU A 6 -4.273 -8.393 -2.254 1.00 0.00 C ATOM 60 O GLU A 6 -3.600 -7.890 -3.152 1.00 0.00 O ATOM 61 CB GLU A 6 -6.297 -9.752 -2.899 1.00 0.00 C ATOM 62 CG GLU A 6 -6.513 -8.575 -3.854 1.00 0.00 C ATOM 63 CD GLU A 6 -7.473 -8.955 -4.983 1.00 0.00 C ATOM 64 OE1 GLU A 6 -7.047 -9.752 -5.847 1.00 0.00 O ATOM 65 OE2 GLU A 6 -8.612 -8.440 -4.957 1.00 0.00 O ATOM 0 H GLU A 6 -5.638 -10.838 -0.769 1.00 0.00 H new ATOM 0 HA GLU A 6 -4.264 -10.331 -3.164 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -6.548 -10.685 -3.404 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -6.969 -9.661 -2.046 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -6.912 -7.724 -3.303 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -5.557 -8.263 -4.274 1.00 0.00 H new ATOM 70 N LEU A 7 -4.559 -7.797 -1.106 1.00 0.00 N ATOM 71 CA LEU A 7 -4.079 -6.456 -0.819 1.00 0.00 C ATOM 72 C LEU A 7 -2.550 -6.445 -0.872 1.00 0.00 C ATOM 73 O LEU A 7 -1.947 -5.453 -1.279 1.00 0.00 O ATOM 74 CB LEU A 7 -4.652 -5.954 0.507 1.00 0.00 C ATOM 75 CG LEU A 7 -6.159 -6.134 0.697 1.00 0.00 C ATOM 76 CD1 LEU A 7 -6.480 -6.613 2.115 1.00 0.00 C ATOM 77 CD2 LEU A 7 -6.914 -4.851 0.342 1.00 0.00 C ATOM 0 H LEU A 7 -5.117 -8.218 -0.363 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.430 -5.755 -1.576 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.139 -6.469 1.320 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.418 -4.894 0.603 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.499 -6.909 0.010 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.558 -6.733 2.223 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.989 -7.569 2.296 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.122 -5.879 2.837 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.983 -5.006 0.486 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.575 -4.039 0.986 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.722 -4.592 -0.699 1.00 0.00 H new ATOM 88 N LYS A 8 -1.967 -7.558 -0.453 1.00 0.00 N ATOM 89 CA LYS A 8 -0.520 -7.689 -0.448 1.00 0.00 C ATOM 90 C LYS A 8 -0.008 -7.711 -1.889 1.00 0.00 C ATOM 91 O LYS A 8 0.899 -6.957 -2.242 1.00 0.00 O ATOM 92 CB LYS A 8 -0.094 -8.907 0.374 1.00 0.00 C ATOM 93 CG LYS A 8 1.050 -8.554 1.327 1.00 0.00 C ATOM 94 CD LYS A 8 0.847 -9.213 2.694 1.00 0.00 C ATOM 95 CE LYS A 8 -0.303 -8.552 3.456 1.00 0.00 C ATOM 96 NZ LYS A 8 -1.202 -9.577 4.030 1.00 0.00 N ATOM 0 H LYS A 8 -2.471 -8.378 -0.114 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.063 -6.828 0.040 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.945 -9.281 0.944 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.219 -9.709 -0.294 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.998 -8.880 0.899 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.109 -7.472 1.446 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.638 -10.275 2.562 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.765 -9.139 3.277 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.095 -7.922 4.252 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.865 -7.902 2.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.977 -9.111 4.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.596 -10.161 3.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -0.666 -10.181 4.686 1.00 0.00 H new ATOM 106 N GLN A 9 -0.611 -8.582 -2.684 1.00 0.00 N ATOM 107 CA GLN A 9 -0.228 -8.713 -4.080 1.00 0.00 C ATOM 108 C GLN A 9 -0.446 -7.388 -4.816 1.00 0.00 C ATOM 109 O GLN A 9 0.380 -6.985 -5.632 1.00 0.00 O ATOM 110 CB GLN A 9 -0.998 -9.849 -4.756 1.00 0.00 C ATOM 111 CG GLN A 9 -0.055 -10.984 -5.159 1.00 0.00 C ATOM 112 CD GLN A 9 0.179 -10.992 -6.671 1.00 0.00 C ATOM 113 OE1 GLN A 9 -0.438 -11.735 -7.418 1.00 0.00 O ATOM 114 NE2 GLN A 9 1.103 -10.127 -7.080 1.00 0.00 N ATOM 0 H GLN A 9 -1.363 -9.205 -2.388 1.00 0.00 H new ATOM 0 HA GLN A 9 0.832 -8.961 -4.124 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -1.762 -10.229 -4.078 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -1.514 -9.469 -5.638 1.00 0.00 H new ATOM 0 HG2 GLN A 9 0.897 -10.872 -4.641 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -0.477 -11.940 -4.848 1.00 0.00 H new ATOM 0 HE21 GLN A 9 1.582 -9.534 -6.402 1.00 0.00 H new ATOM 0 HE22 GLN A 9 1.332 -10.057 -8.071 1.00 0.00 H new ATOM 121 N MET A 10 -1.563 -6.749 -4.500 1.00 0.00 N ATOM 122 CA MET A 10 -1.900 -5.480 -5.120 1.00 0.00 C ATOM 123 C MET A 10 -0.924 -4.383 -4.690 1.00 0.00 C ATOM 124 O MET A 10 -0.430 -3.624 -5.523 1.00 0.00 O ATOM 125 CB MET A 10 -3.323 -5.081 -4.726 1.00 0.00 C ATOM 126 CG MET A 10 -4.350 -6.029 -5.346 1.00 0.00 C ATOM 127 SD MET A 10 -5.965 -5.722 -4.650 1.00 0.00 S ATOM 128 CE MET A 10 -6.007 -3.940 -4.741 1.00 0.00 C ATOM 0 H MET A 10 -2.246 -7.087 -3.822 1.00 0.00 H new ATOM 0 HA MET A 10 -1.832 -5.596 -6.202 1.00 0.00 H new ATOM 0 HB2 MET A 10 -3.420 -5.093 -3.640 1.00 0.00 H new ATOM 0 HB3 MET A 10 -3.522 -4.060 -5.052 1.00 0.00 H new ATOM 0 HG2 MET A 10 -4.379 -5.890 -6.427 1.00 0.00 H new ATOM 0 HG3 MET A 10 -4.058 -7.063 -5.165 1.00 0.00 H new ATOM 0 HE1 MET A 10 -5.982 -3.524 -3.734 1.00 0.00 H new ATOM 0 HE2 MET A 10 -5.143 -3.584 -5.302 1.00 0.00 H new ATOM 0 HE3 MET A 10 -6.921 -3.623 -5.243 1.00 0.00 H new ATOM 136 N VAL A 11 -0.675 -4.333 -3.389 1.00 0.00 N ATOM 137 CA VAL A 11 0.232 -3.341 -2.838 1.00 0.00 C ATOM 138 C VAL A 11 1.591 -3.459 -3.531 1.00 0.00 C ATOM 139 O VAL A 11 2.268 -2.457 -3.754 1.00 0.00 O ATOM 140 CB VAL A 11 0.321 -3.500 -1.319 1.00 0.00 C ATOM 141 CG1 VAL A 11 1.702 -3.092 -0.805 1.00 0.00 C ATOM 142 CG2 VAL A 11 -0.782 -2.703 -0.620 1.00 0.00 C ATOM 0 H VAL A 11 -1.086 -4.964 -2.701 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.143 -2.335 -3.025 1.00 0.00 H new ATOM 0 HB VAL A 11 0.174 -4.554 -1.083 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.738 -3.215 0.277 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.463 -3.721 -1.267 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.891 -2.049 -1.058 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.697 -2.833 0.459 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -0.680 -1.646 -0.868 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.756 -3.061 -0.953 1.00 0.00 H new ATOM 152 N MET A 12 1.950 -4.693 -3.854 1.00 0.00 N ATOM 153 CA MET A 12 3.217 -4.955 -4.517 1.00 0.00 C ATOM 154 C MET A 12 3.255 -4.304 -5.900 1.00 0.00 C ATOM 155 O MET A 12 4.303 -4.266 -6.543 1.00 0.00 O ATOM 156 CB MET A 12 3.416 -6.466 -4.657 1.00 0.00 C ATOM 157 CG MET A 12 3.848 -7.088 -3.328 1.00 0.00 C ATOM 158 SD MET A 12 5.548 -7.622 -3.428 1.00 0.00 S ATOM 159 CE MET A 12 5.399 -9.265 -2.747 1.00 0.00 C ATOM 0 H MET A 12 1.386 -5.522 -3.669 1.00 0.00 H new ATOM 0 HA MET A 12 4.018 -4.529 -3.913 1.00 0.00 H new ATOM 0 HB2 MET A 12 2.489 -6.929 -4.995 1.00 0.00 H new ATOM 0 HB3 MET A 12 4.169 -6.668 -5.419 1.00 0.00 H new ATOM 0 HG2 MET A 12 3.733 -6.362 -2.523 1.00 0.00 H new ATOM 0 HG3 MET A 12 3.206 -7.935 -3.088 1.00 0.00 H new ATOM 0 HE1 MET A 12 6.378 -9.745 -2.736 1.00 0.00 H new ATOM 0 HE2 MET A 12 5.014 -9.203 -1.729 1.00 0.00 H new ATOM 0 HE3 MET A 12 4.714 -9.852 -3.359 1.00 0.00 H new ATOM 167 N SER A 13 2.100 -3.807 -6.318 1.00 0.00 N ATOM 168 CA SER A 13 1.989 -3.159 -7.614 1.00 0.00 C ATOM 169 C SER A 13 2.066 -1.640 -7.447 1.00 0.00 C ATOM 170 O SER A 13 2.811 -0.970 -8.163 1.00 0.00 O ATOM 171 CB SER A 13 0.687 -3.550 -8.316 1.00 0.00 C ATOM 172 OG SER A 13 0.843 -3.620 -9.730 1.00 0.00 O ATOM 0 H SER A 13 1.233 -3.840 -5.782 1.00 0.00 H new ATOM 0 HA SER A 13 2.820 -3.493 -8.236 1.00 0.00 H new ATOM 0 HB2 SER A 13 0.349 -4.516 -7.940 1.00 0.00 H new ATOM 0 HB3 SER A 13 -0.088 -2.824 -8.072 1.00 0.00 H new ATOM 0 HG SER A 13 -0.010 -3.874 -10.141 1.00 0.00 H new ATOM 177 N LEU A 14 1.288 -1.140 -6.500 1.00 0.00 N ATOM 178 CA LEU A 14 1.259 0.288 -6.229 1.00 0.00 C ATOM 179 C LEU A 14 2.678 0.851 -6.335 1.00 0.00 C ATOM 180 O LEU A 14 3.654 0.120 -6.175 1.00 0.00 O ATOM 181 CB LEU A 14 0.585 0.566 -4.884 1.00 0.00 C ATOM 182 CG LEU A 14 -0.937 0.416 -4.854 1.00 0.00 C ATOM 183 CD1 LEU A 14 -1.626 1.767 -5.056 1.00 0.00 C ATOM 184 CD2 LEU A 14 -1.407 -0.625 -5.872 1.00 0.00 C ATOM 0 H LEU A 14 0.672 -1.698 -5.909 1.00 0.00 H new ATOM 0 HA LEU A 14 0.654 0.805 -6.974 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.011 -0.107 -4.140 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.836 1.581 -4.577 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.224 0.053 -3.867 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.707 1.631 -5.030 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.327 2.450 -4.261 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.335 2.183 -6.021 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.493 -0.711 -5.829 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.107 -0.316 -6.873 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.957 -1.590 -5.640 1.00 0.00 H new ATOM 195 N ARG A 15 2.747 2.146 -6.604 1.00 0.00 N ATOM 196 CA ARG A 15 4.030 2.816 -6.733 1.00 0.00 C ATOM 197 C ARG A 15 4.416 3.482 -5.410 1.00 0.00 C ATOM 198 O ARG A 15 3.598 3.575 -4.495 1.00 0.00 O ATOM 199 CB ARG A 15 3.990 3.875 -7.836 1.00 0.00 C ATOM 200 CG ARG A 15 4.588 3.334 -9.137 1.00 0.00 C ATOM 201 CD ARG A 15 6.115 3.266 -9.052 1.00 0.00 C ATOM 202 NE ARG A 15 6.706 3.465 -10.394 1.00 0.00 N ATOM 203 CZ ARG A 15 8.001 3.272 -10.680 1.00 0.00 C ATOM 204 NH1 ARG A 15 8.847 2.873 -9.721 1.00 0.00 N ATOM 205 NH2 ARG A 15 8.448 3.477 -11.926 1.00 0.00 N ATOM 0 H ARG A 15 1.935 2.749 -6.736 1.00 0.00 H new ATOM 0 HA ARG A 15 4.773 2.063 -6.995 1.00 0.00 H new ATOM 0 HB2 ARG A 15 2.960 4.188 -8.007 1.00 0.00 H new ATOM 0 HB3 ARG A 15 4.543 4.759 -7.517 1.00 0.00 H new ATOM 0 HG2 ARG A 15 4.187 2.341 -9.341 1.00 0.00 H new ATOM 0 HG3 ARG A 15 4.295 3.973 -9.970 1.00 0.00 H new ATOM 0 HD2 ARG A 15 6.484 4.029 -8.366 1.00 0.00 H new ATOM 0 HD3 ARG A 15 6.422 2.301 -8.650 1.00 0.00 H new ATOM 0 HE ARG A 15 6.090 3.768 -11.148 1.00 0.00 H new ATOM 0 HH11 ARG A 15 8.506 2.716 -8.773 1.00 0.00 H new ATOM 0 HH12 ARG A 15 9.833 2.726 -9.939 1.00 0.00 H new ATOM 0 HH21 ARG A 15 7.803 3.780 -12.656 1.00 0.00 H new ATOM 0 HH22 ARG A 15 9.433 3.330 -12.145 1.00 0.00 H new ATOM 216 N VAL A 16 5.662 3.929 -5.351 1.00 0.00 N ATOM 217 CA VAL A 16 6.166 4.584 -4.155 1.00 0.00 C ATOM 218 C VAL A 16 5.220 5.720 -3.765 1.00 0.00 C ATOM 219 O VAL A 16 4.854 5.855 -2.597 1.00 0.00 O ATOM 220 CB VAL A 16 7.604 5.055 -4.384 1.00 0.00 C ATOM 221 CG1 VAL A 16 8.030 6.057 -3.309 1.00 0.00 C ATOM 222 CG2 VAL A 16 8.567 3.868 -4.442 1.00 0.00 C ATOM 0 H VAL A 16 6.337 3.851 -6.111 1.00 0.00 H new ATOM 0 HA VAL A 16 6.196 3.885 -3.319 1.00 0.00 H new ATOM 0 HB VAL A 16 7.641 5.563 -5.348 1.00 0.00 H new ATOM 0 HG11 VAL A 16 9.056 6.376 -3.495 1.00 0.00 H new ATOM 0 HG12 VAL A 16 7.370 6.924 -3.337 1.00 0.00 H new ATOM 0 HG13 VAL A 16 7.969 5.586 -2.328 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.582 4.230 -4.606 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.525 3.319 -3.501 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.281 3.207 -5.261 1.00 0.00 H new ATOM 232 N SER A 17 4.849 6.510 -4.762 1.00 0.00 N ATOM 233 CA SER A 17 3.952 7.631 -4.537 1.00 0.00 C ATOM 234 C SER A 17 2.648 7.138 -3.908 1.00 0.00 C ATOM 235 O SER A 17 2.126 7.760 -2.983 1.00 0.00 O ATOM 236 CB SER A 17 3.664 8.377 -5.840 1.00 0.00 C ATOM 237 OG SER A 17 4.140 9.721 -5.803 1.00 0.00 O ATOM 0 H SER A 17 5.154 6.396 -5.729 1.00 0.00 H new ATOM 0 HA SER A 17 4.438 8.326 -3.853 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.132 7.849 -6.671 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.590 8.378 -6.028 1.00 0.00 H new ATOM 0 HG SER A 17 3.938 10.163 -6.654 1.00 0.00 H new ATOM 242 N GLU A 18 2.157 6.025 -4.435 1.00 0.00 N ATOM 243 CA GLU A 18 0.924 5.442 -3.937 1.00 0.00 C ATOM 244 C GLU A 18 1.138 4.861 -2.538 1.00 0.00 C ATOM 245 O GLU A 18 0.301 5.037 -1.653 1.00 0.00 O ATOM 246 CB GLU A 18 0.393 4.376 -4.899 1.00 0.00 C ATOM 247 CG GLU A 18 0.245 4.940 -6.313 1.00 0.00 C ATOM 248 CD GLU A 18 -0.769 6.085 -6.344 1.00 0.00 C ATOM 249 OE1 GLU A 18 -0.432 7.157 -5.797 1.00 0.00 O ATOM 250 OE2 GLU A 18 -1.859 5.861 -6.915 1.00 0.00 O ATOM 0 H GLU A 18 2.592 5.512 -5.202 1.00 0.00 H new ATOM 0 HA GLU A 18 0.174 6.230 -3.871 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.071 3.523 -4.913 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.571 4.011 -4.546 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.212 5.296 -6.669 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.073 4.149 -6.992 1.00 0.00 H new ATOM 255 N LEU A 19 2.263 4.177 -2.381 1.00 0.00 N ATOM 256 CA LEU A 19 2.597 3.569 -1.106 1.00 0.00 C ATOM 257 C LEU A 19 2.801 4.666 -0.059 1.00 0.00 C ATOM 258 O LEU A 19 2.456 4.488 1.108 1.00 0.00 O ATOM 259 CB LEU A 19 3.798 2.633 -1.257 1.00 0.00 C ATOM 260 CG LEU A 19 3.560 1.363 -2.077 1.00 0.00 C ATOM 261 CD1 LEU A 19 4.529 1.283 -3.258 1.00 0.00 C ATOM 262 CD2 LEU A 19 3.631 0.117 -1.192 1.00 0.00 C ATOM 0 H LEU A 19 2.954 4.031 -3.117 1.00 0.00 H new ATOM 0 HA LEU A 19 1.776 2.943 -0.756 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.613 3.191 -1.717 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.134 2.341 -0.262 1.00 0.00 H new ATOM 0 HG LEU A 19 2.552 1.407 -2.490 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.338 0.371 -3.824 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.386 2.148 -3.905 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.554 1.272 -2.888 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.458 -0.771 -1.800 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.616 0.055 -0.730 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.869 0.179 -0.415 1.00 0.00 H new ATOM 273 N GLN A 20 3.360 5.778 -0.515 1.00 0.00 N ATOM 274 CA GLN A 20 3.614 6.904 0.367 1.00 0.00 C ATOM 275 C GLN A 20 2.310 7.375 1.014 1.00 0.00 C ATOM 276 O GLN A 20 2.299 7.768 2.179 1.00 0.00 O ATOM 277 CB GLN A 20 4.296 8.047 -0.386 1.00 0.00 C ATOM 278 CG GLN A 20 5.798 7.791 -0.527 1.00 0.00 C ATOM 279 CD GLN A 20 6.592 9.091 -0.388 1.00 0.00 C ATOM 280 OE1 GLN A 20 6.043 10.174 -0.269 1.00 0.00 O ATOM 281 NE2 GLN A 20 7.912 8.925 -0.406 1.00 0.00 N ATOM 0 H GLN A 20 3.644 5.923 -1.484 1.00 0.00 H new ATOM 0 HA GLN A 20 4.292 6.577 1.156 1.00 0.00 H new ATOM 0 HB2 GLN A 20 3.848 8.155 -1.374 1.00 0.00 H new ATOM 0 HB3 GLN A 20 4.131 8.985 0.143 1.00 0.00 H new ATOM 0 HG2 GLN A 20 6.122 7.080 0.233 1.00 0.00 H new ATOM 0 HG3 GLN A 20 6.004 7.337 -1.496 1.00 0.00 H new ATOM 0 HE21 GLN A 20 8.307 7.990 -0.509 1.00 0.00 H new ATOM 0 HE22 GLN A 20 8.529 9.732 -0.317 1.00 0.00 H new ATOM 288 N VAL A 21 1.244 7.321 0.230 1.00 0.00 N ATOM 289 CA VAL A 21 -0.062 7.737 0.712 1.00 0.00 C ATOM 290 C VAL A 21 -0.543 6.754 1.781 1.00 0.00 C ATOM 291 O VAL A 21 -1.138 7.160 2.779 1.00 0.00 O ATOM 292 CB VAL A 21 -1.035 7.868 -0.461 1.00 0.00 C ATOM 293 CG1 VAL A 21 -2.036 6.710 -0.476 1.00 0.00 C ATOM 294 CG2 VAL A 21 -1.758 9.216 -0.426 1.00 0.00 C ATOM 0 H VAL A 21 1.258 6.995 -0.736 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.002 8.720 1.178 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.455 7.822 -1.383 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.716 6.828 -1.320 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.499 5.766 -0.572 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.607 6.710 0.453 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -2.444 9.283 -1.271 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -2.319 9.304 0.504 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.027 10.022 -0.487 1.00 0.00 H new ATOM 304 N LEU A 22 -0.267 5.482 1.537 1.00 0.00 N ATOM 305 CA LEU A 22 -0.664 4.438 2.467 1.00 0.00 C ATOM 306 C LEU A 22 -0.039 4.715 3.835 1.00 0.00 C ATOM 307 O LEU A 22 -0.719 4.650 4.858 1.00 0.00 O ATOM 308 CB LEU A 22 -0.322 3.058 1.902 1.00 0.00 C ATOM 309 CG LEU A 22 -0.724 2.811 0.447 1.00 0.00 C ATOM 310 CD1 LEU A 22 -0.344 1.395 0.006 1.00 0.00 C ATOM 311 CD2 LEU A 22 -2.212 3.097 0.233 1.00 0.00 C ATOM 0 H LEU A 22 0.227 5.150 0.709 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.745 4.441 2.604 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.754 2.907 1.992 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.803 2.303 2.524 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.168 3.505 -0.183 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.641 1.245 -1.032 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.734 1.262 0.098 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.854 0.668 0.638 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.471 2.914 -0.810 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.804 2.444 0.875 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.422 4.137 0.482 1.00 0.00 H new ATOM 322 N LEU A 23 1.251 5.018 3.811 1.00 0.00 N ATOM 323 CA LEU A 23 1.976 5.306 5.037 1.00 0.00 C ATOM 324 C LEU A 23 1.619 6.713 5.518 1.00 0.00 C ATOM 325 O LEU A 23 1.304 6.910 6.691 1.00 0.00 O ATOM 326 CB LEU A 23 3.477 5.088 4.835 1.00 0.00 C ATOM 327 CG LEU A 23 3.872 3.879 3.983 1.00 0.00 C ATOM 328 CD1 LEU A 23 5.377 3.867 3.711 1.00 0.00 C ATOM 329 CD2 LEU A 23 3.395 2.576 4.628 1.00 0.00 C ATOM 0 H LEU A 23 1.813 5.070 2.961 1.00 0.00 H new ATOM 0 HA LEU A 23 1.679 4.615 5.826 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.895 5.983 4.375 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.944 4.985 5.815 1.00 0.00 H new ATOM 0 HG LEU A 23 3.372 3.963 3.018 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.630 2.998 3.104 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.658 4.776 3.179 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.917 3.819 4.656 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.688 1.732 4.003 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.847 2.471 5.614 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.310 2.595 4.726 1.00 0.00 H new ATOM 340 N GLY A 24 1.677 7.655 4.588 1.00 0.00 N ATOM 341 CA GLY A 24 1.363 9.038 4.904 1.00 0.00 C ATOM 342 C GLY A 24 -0.035 9.158 5.513 1.00 0.00 C ATOM 343 O GLY A 24 -0.221 9.840 6.520 1.00 0.00 O ATOM 0 H GLY A 24 1.937 7.488 3.616 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.102 9.432 5.601 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.423 9.644 4.000 1.00 0.00 H new ATOM 347 N TYR A 25 -0.982 8.484 4.877 1.00 0.00 N ATOM 348 CA TYR A 25 -2.358 8.506 5.346 1.00 0.00 C ATOM 349 C TYR A 25 -2.509 7.713 6.644 1.00 0.00 C ATOM 350 O TYR A 25 -3.360 8.029 7.474 1.00 0.00 O ATOM 351 CB TYR A 25 -3.186 7.829 4.250 1.00 0.00 C ATOM 352 CG TYR A 25 -4.696 7.876 4.495 1.00 0.00 C ATOM 353 CD1 TYR A 25 -5.301 9.061 4.862 1.00 0.00 C ATOM 354 CD2 TYR A 25 -5.453 6.731 4.348 1.00 0.00 C ATOM 355 CE1 TYR A 25 -6.721 9.104 5.092 1.00 0.00 C ATOM 356 CE2 TYR A 25 -6.875 6.774 4.577 1.00 0.00 C ATOM 357 CZ TYR A 25 -7.438 7.958 4.938 1.00 0.00 C ATOM 358 OH TYR A 25 -8.780 7.999 5.155 1.00 0.00 O ATOM 0 H TYR A 25 -0.824 7.920 4.042 1.00 0.00 H new ATOM 0 HA TYR A 25 -2.680 9.528 5.544 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -2.968 8.308 3.295 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.874 6.788 4.163 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -4.708 9.957 4.977 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -4.980 5.803 4.062 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -7.206 10.025 5.380 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -7.480 5.886 4.465 1.00 0.00 H new ATOM 0 HH TYR A 25 -9.163 7.109 5.007 1.00 0.00 H new ATOM 367 N ALA A 26 -1.668 6.697 6.781 1.00 0.00 N ATOM 368 CA ALA A 26 -1.698 5.856 7.966 1.00 0.00 C ATOM 369 C ALA A 26 -0.782 6.456 9.035 1.00 0.00 C ATOM 370 O ALA A 26 -0.573 5.855 10.088 1.00 0.00 O ATOM 371 CB ALA A 26 -1.296 4.429 7.589 1.00 0.00 C ATOM 0 H ALA A 26 -0.963 6.438 6.091 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.705 5.813 8.381 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.318 3.798 8.477 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.994 4.038 6.849 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.289 4.433 7.172 1.00 0.00 H new ATOM 377 N GLY A 27 -0.259 7.634 8.727 1.00 0.00 N ATOM 378 CA GLY A 27 0.629 8.323 9.647 1.00 0.00 C ATOM 379 C GLY A 27 2.075 7.857 9.466 1.00 0.00 C ATOM 380 O GLY A 27 2.996 8.672 9.454 1.00 0.00 O ATOM 0 H GLY A 27 -0.434 8.129 7.852 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.566 9.399 9.482 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.310 8.139 10.673 1.00 0.00 H new ATOM 384 N ARG A 28 2.229 6.548 9.330 1.00 0.00 N ATOM 385 CA ARG A 28 3.547 5.964 9.149 1.00 0.00 C ATOM 386 C ARG A 28 4.388 6.831 8.208 1.00 0.00 C ATOM 387 O ARG A 28 3.905 7.272 7.167 1.00 0.00 O ATOM 388 CB ARG A 28 3.448 4.550 8.574 1.00 0.00 C ATOM 389 CG ARG A 28 2.946 3.563 9.630 1.00 0.00 C ATOM 390 CD ARG A 28 3.976 3.381 10.746 1.00 0.00 C ATOM 391 NE ARG A 28 3.622 4.232 11.904 1.00 0.00 N ATOM 392 CZ ARG A 28 4.347 4.309 13.028 1.00 0.00 C ATOM 393 NH1 ARG A 28 5.470 3.588 13.153 1.00 0.00 N ATOM 394 NH2 ARG A 28 3.949 5.109 14.029 1.00 0.00 N ATOM 0 H ARG A 28 1.462 5.875 9.342 1.00 0.00 H new ATOM 0 HA ARG A 28 4.025 5.915 10.128 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.772 4.548 7.719 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.425 4.233 8.209 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.008 3.923 10.052 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.737 2.601 9.163 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.014 2.335 11.051 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.969 3.643 10.382 1.00 0.00 H new ATOM 0 HE ARG A 28 2.773 4.795 11.843 1.00 0.00 H new ATOM 0 HH11 ARG A 28 5.773 2.980 12.392 1.00 0.00 H new ATOM 0 HH12 ARG A 28 6.021 3.647 14.009 1.00 0.00 H new ATOM 0 HH21 ARG A 28 3.095 5.658 13.934 1.00 0.00 H new ATOM 0 HH22 ARG A 28 4.501 5.168 14.885 1.00 0.00 H new ATOM 405 N ASN A 29 5.630 7.051 8.612 1.00 0.00 N ATOM 406 CA ASN A 29 6.542 7.857 7.820 1.00 0.00 C ATOM 407 C ASN A 29 6.940 7.082 6.561 1.00 0.00 C ATOM 408 O ASN A 29 7.052 5.858 6.592 1.00 0.00 O ATOM 409 CB ASN A 29 7.818 8.175 8.601 1.00 0.00 C ATOM 410 CG ASN A 29 8.639 9.258 7.896 1.00 0.00 C ATOM 411 OD1 ASN A 29 8.268 9.774 6.854 1.00 0.00 O ATOM 412 ND2 ASN A 29 9.771 9.571 8.520 1.00 0.00 N ATOM 0 H ASN A 29 6.026 6.685 9.478 1.00 0.00 H new ATOM 0 HA ASN A 29 6.034 8.787 7.565 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.560 8.507 9.607 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.418 7.271 8.708 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.389 10.282 8.129 1.00 0.00 H new ATOM 0 HD22 ASN A 29 10.021 9.100 9.389 1.00 0.00 H new ATOM 418 N LYS A 30 7.141 7.828 5.484 1.00 0.00 N ATOM 419 CA LYS A 30 7.523 7.226 4.218 1.00 0.00 C ATOM 420 C LYS A 30 8.837 7.848 3.740 1.00 0.00 C ATOM 421 O LYS A 30 8.881 9.028 3.395 1.00 0.00 O ATOM 422 CB LYS A 30 6.383 7.343 3.204 1.00 0.00 C ATOM 423 CG LYS A 30 5.985 8.804 2.992 1.00 0.00 C ATOM 424 CD LYS A 30 4.620 9.097 3.620 1.00 0.00 C ATOM 425 CE LYS A 30 3.942 10.283 2.931 1.00 0.00 C ATOM 426 NZ LYS A 30 3.834 11.430 3.860 1.00 0.00 N ATOM 0 H LYS A 30 7.046 8.843 5.462 1.00 0.00 H new ATOM 0 HA LYS A 30 7.701 6.158 4.341 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.690 6.905 2.254 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.521 6.775 3.554 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.739 9.457 3.431 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.954 9.025 1.925 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.984 8.215 3.543 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.743 9.310 4.682 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.513 10.574 2.049 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.950 9.992 2.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 3.372 12.226 3.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.270 11.154 4.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.785 11.717 4.169 1.00 0.00 H new ATOM 436 N HIS A 31 9.876 7.025 3.734 1.00 0.00 N ATOM 437 CA HIS A 31 11.187 7.479 3.302 1.00 0.00 C ATOM 438 C HIS A 31 12.082 6.270 3.021 1.00 0.00 C ATOM 439 O HIS A 31 12.226 5.390 3.867 1.00 0.00 O ATOM 440 CB HIS A 31 11.795 8.439 4.328 1.00 0.00 C ATOM 441 CG HIS A 31 12.486 7.749 5.479 1.00 0.00 C ATOM 442 ND1 HIS A 31 11.837 6.868 6.326 1.00 0.00 N ATOM 443 CD2 HIS A 31 13.776 7.821 5.916 1.00 0.00 C ATOM 444 CE1 HIS A 31 12.706 6.435 7.227 1.00 0.00 C ATOM 445 NE2 HIS A 31 13.908 7.027 6.971 1.00 0.00 N ATOM 0 H HIS A 31 9.836 6.047 4.021 1.00 0.00 H new ATOM 0 HA HIS A 31 11.092 8.042 2.374 1.00 0.00 H new ATOM 0 HB2 HIS A 31 12.511 9.088 3.824 1.00 0.00 H new ATOM 0 HB3 HIS A 31 11.007 9.080 4.722 1.00 0.00 H new ATOM 0 HD2 HIS A 31 14.558 8.423 5.477 1.00 0.00 H new ATOM 0 HE1 HIS A 31 12.499 5.736 8.024 1.00 0.00 H new ATOM 0 HE2 HIS A 31 14.766 6.883 7.503 1.00 0.00 H new ATOM 452 N GLY A 32 12.659 6.267 1.828 1.00 0.00 N ATOM 453 CA GLY A 32 13.534 5.181 1.423 1.00 0.00 C ATOM 454 C GLY A 32 13.165 4.669 0.029 1.00 0.00 C ATOM 455 O GLY A 32 12.440 5.334 -0.709 1.00 0.00 O ATOM 0 H GLY A 32 12.537 7.000 1.129 1.00 0.00 H new ATOM 0 HA2 GLY A 32 14.569 5.523 1.426 1.00 0.00 H new ATOM 0 HA3 GLY A 32 13.465 4.366 2.143 1.00 0.00 H new ATOM 459 N ARG A 33 13.682 3.492 -0.290 1.00 0.00 N ATOM 460 CA ARG A 33 13.416 2.883 -1.582 1.00 0.00 C ATOM 461 C ARG A 33 12.066 2.162 -1.563 1.00 0.00 C ATOM 462 O ARG A 33 11.507 1.915 -0.495 1.00 0.00 O ATOM 463 CB ARG A 33 14.514 1.886 -1.959 1.00 0.00 C ATOM 464 CG ARG A 33 15.502 2.505 -2.949 1.00 0.00 C ATOM 465 CD ARG A 33 16.904 1.921 -2.762 1.00 0.00 C ATOM 466 NE ARG A 33 17.089 0.755 -3.654 1.00 0.00 N ATOM 467 CZ ARG A 33 17.112 0.828 -4.991 1.00 0.00 C ATOM 468 NH1 ARG A 33 16.962 2.011 -5.600 1.00 0.00 N ATOM 469 NH2 ARG A 33 17.285 -0.284 -5.720 1.00 0.00 N ATOM 0 H ARG A 33 14.284 2.944 0.324 1.00 0.00 H new ATOM 0 HA ARG A 33 13.395 3.680 -2.325 1.00 0.00 H new ATOM 0 HB2 ARG A 33 15.045 1.568 -1.062 1.00 0.00 H new ATOM 0 HB3 ARG A 33 14.065 0.994 -2.397 1.00 0.00 H new ATOM 0 HG2 ARG A 33 15.162 2.324 -3.969 1.00 0.00 H new ATOM 0 HG3 ARG A 33 15.533 3.586 -2.810 1.00 0.00 H new ATOM 0 HD2 ARG A 33 17.655 2.680 -2.981 1.00 0.00 H new ATOM 0 HD3 ARG A 33 17.047 1.621 -1.724 1.00 0.00 H new ATOM 0 HE ARG A 33 17.206 -0.162 -3.223 1.00 0.00 H new ATOM 0 HH11 ARG A 33 16.830 2.857 -5.046 1.00 0.00 H new ATOM 0 HH12 ARG A 33 16.980 2.066 -6.618 1.00 0.00 H new ATOM 0 HH21 ARG A 33 17.399 -1.185 -5.256 1.00 0.00 H new ATOM 0 HH22 ARG A 33 17.303 -0.229 -6.738 1.00 0.00 H new ATOM 480 N LYS A 34 11.584 1.843 -2.755 1.00 0.00 N ATOM 481 CA LYS A 34 10.311 1.155 -2.886 1.00 0.00 C ATOM 482 C LYS A 34 10.352 -0.145 -2.081 1.00 0.00 C ATOM 483 O LYS A 34 9.356 -0.538 -1.477 1.00 0.00 O ATOM 484 CB LYS A 34 9.962 0.954 -4.363 1.00 0.00 C ATOM 485 CG LYS A 34 8.609 0.255 -4.516 1.00 0.00 C ATOM 486 CD LYS A 34 8.578 -0.610 -5.777 1.00 0.00 C ATOM 487 CE LYS A 34 9.187 -1.989 -5.510 1.00 0.00 C ATOM 488 NZ LYS A 34 9.020 -2.866 -6.690 1.00 0.00 N ATOM 0 H LYS A 34 12.052 2.048 -3.638 1.00 0.00 H new ATOM 0 HA LYS A 34 9.506 1.761 -2.470 1.00 0.00 H new ATOM 0 HB2 LYS A 34 9.936 1.919 -4.869 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.738 0.361 -4.847 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.415 -0.365 -3.641 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.814 1.000 -4.562 1.00 0.00 H new ATOM 0 HD2 LYS A 34 7.550 -0.723 -6.120 1.00 0.00 H new ATOM 0 HD3 LYS A 34 9.128 -0.114 -6.577 1.00 0.00 H new ATOM 0 HE2 LYS A 34 10.246 -1.886 -5.273 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.709 -2.442 -4.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.438 -3.797 -6.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 8.007 -2.979 -6.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 9.497 -2.439 -7.510 1.00 0.00 H new ATOM 498 N HIS A 35 11.517 -0.776 -2.098 1.00 0.00 N ATOM 499 CA HIS A 35 11.702 -2.025 -1.376 1.00 0.00 C ATOM 500 C HIS A 35 11.391 -1.810 0.106 1.00 0.00 C ATOM 501 O HIS A 35 10.724 -2.634 0.729 1.00 0.00 O ATOM 502 CB HIS A 35 13.105 -2.586 -1.613 1.00 0.00 C ATOM 503 CG HIS A 35 13.186 -4.092 -1.527 1.00 0.00 C ATOM 504 ND1 HIS A 35 13.627 -4.881 -2.575 1.00 0.00 N ATOM 505 CD2 HIS A 35 12.879 -4.943 -0.507 1.00 0.00 C ATOM 506 CE1 HIS A 35 13.583 -6.149 -2.192 1.00 0.00 C ATOM 507 NE2 HIS A 35 13.118 -6.185 -0.910 1.00 0.00 N ATOM 0 H HIS A 35 12.342 -0.447 -2.600 1.00 0.00 H new ATOM 0 HA HIS A 35 11.006 -2.775 -1.753 1.00 0.00 H new ATOM 0 HB2 HIS A 35 13.451 -2.269 -2.597 1.00 0.00 H new ATOM 0 HB3 HIS A 35 13.787 -2.153 -0.881 1.00 0.00 H new ATOM 0 HD2 HIS A 35 12.505 -4.655 0.464 1.00 0.00 H new ATOM 0 HE1 HIS A 35 13.865 -7.003 -2.789 1.00 0.00 H new ATOM 0 HE2 HIS A 35 12.977 -7.028 -0.353 1.00 0.00 H new ATOM 514 N GLU A 36 11.891 -0.701 0.628 1.00 0.00 N ATOM 515 CA GLU A 36 11.676 -0.368 2.027 1.00 0.00 C ATOM 516 C GLU A 36 10.194 -0.091 2.284 1.00 0.00 C ATOM 517 O GLU A 36 9.629 -0.573 3.265 1.00 0.00 O ATOM 518 CB GLU A 36 12.537 0.825 2.446 1.00 0.00 C ATOM 519 CG GLU A 36 14.006 0.418 2.587 1.00 0.00 C ATOM 520 CD GLU A 36 14.501 0.642 4.017 1.00 0.00 C ATOM 521 OE1 GLU A 36 13.683 0.435 4.939 1.00 0.00 O ATOM 522 OE2 GLU A 36 15.685 1.014 4.156 1.00 0.00 O ATOM 0 H GLU A 36 12.445 -0.020 0.108 1.00 0.00 H new ATOM 0 HA GLU A 36 11.977 -1.222 2.634 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.446 1.621 1.707 1.00 0.00 H new ATOM 0 HB3 GLU A 36 12.174 1.225 3.393 1.00 0.00 H new ATOM 0 HG2 GLU A 36 14.124 -0.632 2.318 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.616 0.996 1.892 1.00 0.00 H new ATOM 527 N LEU A 37 9.604 0.685 1.386 1.00 0.00 N ATOM 528 CA LEU A 37 8.198 1.030 1.503 1.00 0.00 C ATOM 529 C LEU A 37 7.350 -0.228 1.316 1.00 0.00 C ATOM 530 O LEU A 37 6.314 -0.385 1.962 1.00 0.00 O ATOM 531 CB LEU A 37 7.842 2.162 0.535 1.00 0.00 C ATOM 532 CG LEU A 37 8.669 3.443 0.668 1.00 0.00 C ATOM 533 CD1 LEU A 37 8.694 4.217 -0.651 1.00 0.00 C ATOM 534 CD2 LEU A 37 8.165 4.302 1.828 1.00 0.00 C ATOM 0 H LEU A 37 10.075 1.084 0.574 1.00 0.00 H new ATOM 0 HA LEU A 37 7.982 1.414 2.500 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.948 1.789 -0.484 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.791 2.415 0.674 1.00 0.00 H new ATOM 0 HG LEU A 37 9.698 3.165 0.898 1.00 0.00 H new ATOM 0 HD11 LEU A 37 9.288 5.123 -0.530 1.00 0.00 H new ATOM 0 HD12 LEU A 37 9.135 3.595 -1.430 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.676 4.486 -0.935 1.00 0.00 H new ATOM 0 HD21 LEU A 37 8.770 5.206 1.901 1.00 0.00 H new ATOM 0 HD22 LEU A 37 7.124 4.575 1.653 1.00 0.00 H new ATOM 0 HD23 LEU A 37 8.241 3.739 2.758 1.00 0.00 H new ATOM 545 N LEU A 38 7.819 -1.093 0.429 1.00 0.00 N ATOM 546 CA LEU A 38 7.117 -2.334 0.149 1.00 0.00 C ATOM 547 C LEU A 38 7.104 -3.203 1.408 1.00 0.00 C ATOM 548 O LEU A 38 6.049 -3.672 1.833 1.00 0.00 O ATOM 549 CB LEU A 38 7.721 -3.028 -1.072 1.00 0.00 C ATOM 550 CG LEU A 38 6.924 -2.912 -2.374 1.00 0.00 C ATOM 551 CD1 LEU A 38 5.710 -3.843 -2.358 1.00 0.00 C ATOM 552 CD2 LEU A 38 6.527 -1.459 -2.646 1.00 0.00 C ATOM 0 H LEU A 38 8.677 -0.959 -0.106 1.00 0.00 H new ATOM 0 HA LEU A 38 6.078 -2.133 -0.110 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.717 -2.619 -1.242 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.846 -4.085 -0.839 1.00 0.00 H new ATOM 0 HG LEU A 38 7.565 -3.231 -3.196 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.161 -3.741 -3.294 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.044 -4.874 -2.243 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.059 -3.578 -1.525 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.962 -1.404 -3.577 1.00 0.00 H new ATOM 0 HD22 LEU A 38 5.911 -1.090 -1.825 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.425 -0.846 -2.730 1.00 0.00 H new ATOM 563 N THR A 39 8.290 -3.393 1.968 1.00 0.00 N ATOM 564 CA THR A 39 8.429 -4.199 3.170 1.00 0.00 C ATOM 565 C THR A 39 7.577 -3.620 4.301 1.00 0.00 C ATOM 566 O THR A 39 6.926 -4.362 5.035 1.00 0.00 O ATOM 567 CB THR A 39 9.917 -4.283 3.512 1.00 0.00 C ATOM 568 OG1 THR A 39 10.437 -5.223 2.575 1.00 0.00 O ATOM 569 CG2 THR A 39 10.169 -4.937 4.872 1.00 0.00 C ATOM 0 H THR A 39 9.163 -3.003 1.612 1.00 0.00 H new ATOM 0 HA THR A 39 8.059 -5.212 3.013 1.00 0.00 H new ATOM 0 HB THR A 39 10.347 -3.282 3.504 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.724 -4.753 1.765 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.241 -4.972 5.066 1.00 0.00 H new ATOM 0 HG22 THR A 39 9.678 -4.355 5.652 1.00 0.00 H new ATOM 0 HG23 THR A 39 9.768 -5.951 4.868 1.00 0.00 H new ATOM 577 N LYS A 40 7.609 -2.300 4.407 1.00 0.00 N ATOM 578 CA LYS A 40 6.847 -1.614 5.436 1.00 0.00 C ATOM 579 C LYS A 40 5.357 -1.688 5.099 1.00 0.00 C ATOM 580 O LYS A 40 4.531 -1.947 5.972 1.00 0.00 O ATOM 581 CB LYS A 40 7.365 -0.186 5.623 1.00 0.00 C ATOM 582 CG LYS A 40 6.235 0.834 5.456 1.00 0.00 C ATOM 583 CD LYS A 40 6.661 2.213 5.963 1.00 0.00 C ATOM 584 CE LYS A 40 7.889 2.720 5.204 1.00 0.00 C ATOM 585 NZ LYS A 40 8.994 3.014 6.143 1.00 0.00 N ATOM 0 H LYS A 40 8.151 -1.687 3.797 1.00 0.00 H new ATOM 0 HA LYS A 40 6.980 -2.107 6.399 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.809 -0.083 6.613 1.00 0.00 H new ATOM 0 HB3 LYS A 40 8.153 0.017 4.898 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.953 0.900 4.405 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.354 0.498 6.002 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.839 2.918 5.844 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.884 2.160 7.029 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.210 1.972 4.479 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.632 3.619 4.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.819 3.357 5.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.690 3.743 6.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.250 2.148 6.660 1.00 0.00 H new ATOM 595 N ALA A 41 5.059 -1.457 3.829 1.00 0.00 N ATOM 596 CA ALA A 41 3.683 -1.495 3.364 1.00 0.00 C ATOM 597 C ALA A 41 3.067 -2.849 3.720 1.00 0.00 C ATOM 598 O ALA A 41 1.882 -2.931 4.040 1.00 0.00 O ATOM 599 CB ALA A 41 3.642 -1.213 1.861 1.00 0.00 C ATOM 0 H ALA A 41 5.747 -1.243 3.107 1.00 0.00 H new ATOM 0 HA ALA A 41 3.091 -0.723 3.856 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.609 -1.242 1.513 1.00 0.00 H new ATOM 0 HB2 ALA A 41 4.064 -0.227 1.664 1.00 0.00 H new ATOM 0 HB3 ALA A 41 4.224 -1.969 1.333 1.00 0.00 H new ATOM 605 N LEU A 42 3.899 -3.879 3.651 1.00 0.00 N ATOM 606 CA LEU A 42 3.450 -5.225 3.962 1.00 0.00 C ATOM 607 C LEU A 42 3.330 -5.381 5.478 1.00 0.00 C ATOM 608 O LEU A 42 2.330 -5.898 5.976 1.00 0.00 O ATOM 609 CB LEU A 42 4.368 -6.260 3.308 1.00 0.00 C ATOM 610 CG LEU A 42 4.424 -6.236 1.779 1.00 0.00 C ATOM 611 CD1 LEU A 42 4.528 -7.654 1.213 1.00 0.00 C ATOM 612 CD2 LEU A 42 3.232 -5.473 1.199 1.00 0.00 C ATOM 0 H LEU A 42 4.881 -3.808 3.384 1.00 0.00 H new ATOM 0 HA LEU A 42 2.459 -5.402 3.544 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.378 -6.114 3.691 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.047 -7.252 3.625 1.00 0.00 H new ATOM 0 HG LEU A 42 5.325 -5.702 1.478 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.566 -7.609 0.125 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.434 -8.130 1.589 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.658 -8.234 1.522 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.296 -5.471 0.111 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.305 -5.957 1.507 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.244 -4.446 1.565 1.00 0.00 H new ATOM 623 N HIS A 43 4.363 -4.925 6.172 1.00 0.00 N ATOM 624 CA HIS A 43 4.385 -5.008 7.623 1.00 0.00 C ATOM 625 C HIS A 43 3.239 -4.175 8.202 1.00 0.00 C ATOM 626 O HIS A 43 2.733 -4.477 9.282 1.00 0.00 O ATOM 627 CB HIS A 43 5.753 -4.593 8.169 1.00 0.00 C ATOM 628 CG HIS A 43 6.822 -5.649 8.013 1.00 0.00 C ATOM 629 ND1 HIS A 43 8.170 -5.379 8.168 1.00 0.00 N ATOM 630 CD2 HIS A 43 6.726 -6.976 7.716 1.00 0.00 C ATOM 631 CE1 HIS A 43 8.846 -6.501 7.970 1.00 0.00 C ATOM 632 NE2 HIS A 43 7.950 -7.490 7.690 1.00 0.00 N ATOM 0 H HIS A 43 5.190 -4.497 5.757 1.00 0.00 H new ATOM 0 HA HIS A 43 4.231 -6.041 7.935 1.00 0.00 H new ATOM 0 HB2 HIS A 43 6.076 -3.685 7.659 1.00 0.00 H new ATOM 0 HB3 HIS A 43 5.652 -4.346 9.226 1.00 0.00 H new ATOM 0 HD2 HIS A 43 5.810 -7.517 7.533 1.00 0.00 H new ATOM 0 HE1 HIS A 43 9.919 -6.613 8.021 1.00 0.00 H new ATOM 0 HE2 HIS A 43 8.182 -8.464 7.493 1.00 0.00 H new ATOM 639 N LEU A 44 2.863 -3.145 7.458 1.00 0.00 N ATOM 640 CA LEU A 44 1.787 -2.268 7.884 1.00 0.00 C ATOM 641 C LEU A 44 0.522 -3.097 8.119 1.00 0.00 C ATOM 642 O LEU A 44 -0.214 -2.856 9.075 1.00 0.00 O ATOM 643 CB LEU A 44 1.597 -1.127 6.882 1.00 0.00 C ATOM 644 CG LEU A 44 1.861 0.283 7.414 1.00 0.00 C ATOM 645 CD1 LEU A 44 1.231 1.340 6.504 1.00 0.00 C ATOM 646 CD2 LEU A 44 1.389 0.420 8.863 1.00 0.00 C ATOM 0 H LEU A 44 3.285 -2.899 6.563 1.00 0.00 H new ATOM 0 HA LEU A 44 2.037 -1.791 8.832 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.256 -1.303 6.032 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.575 -1.167 6.506 1.00 0.00 H new ATOM 0 HG LEU A 44 2.938 0.454 7.408 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.434 2.333 6.905 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.656 1.259 5.504 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.154 1.182 6.454 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.588 1.432 9.217 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.319 0.221 8.917 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.923 -0.295 9.489 1.00 0.00 H new ATOM 657 N LEU A 45 0.308 -4.056 7.231 1.00 0.00 N ATOM 658 CA LEU A 45 -0.854 -4.922 7.329 1.00 0.00 C ATOM 659 C LEU A 45 -0.739 -5.782 8.589 1.00 0.00 C ATOM 660 O LEU A 45 -1.731 -6.016 9.278 1.00 0.00 O ATOM 661 CB LEU A 45 -1.029 -5.734 6.044 1.00 0.00 C ATOM 662 CG LEU A 45 -1.385 -4.934 4.789 1.00 0.00 C ATOM 663 CD1 LEU A 45 -0.296 -5.071 3.724 1.00 0.00 C ATOM 664 CD2 LEU A 45 -2.762 -5.335 4.257 1.00 0.00 C ATOM 0 H LEU A 45 0.920 -4.253 6.439 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.763 -4.329 7.429 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.105 -6.279 5.853 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.809 -6.477 6.211 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.439 -3.879 5.059 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.574 -4.493 2.843 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.649 -4.698 4.120 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.185 -6.120 3.450 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.991 -4.752 3.365 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.761 -6.396 4.007 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.517 -5.143 5.020 1.00 0.00 H new ATOM 675 N LYS A 46 0.480 -6.229 8.852 1.00 0.00 N ATOM 676 CA LYS A 46 0.738 -7.059 10.016 1.00 0.00 C ATOM 677 C LYS A 46 0.753 -6.181 11.269 1.00 0.00 C ATOM 678 O LYS A 46 0.493 -6.661 12.372 1.00 0.00 O ATOM 679 CB LYS A 46 2.018 -7.874 9.821 1.00 0.00 C ATOM 680 CG LYS A 46 1.975 -9.168 10.637 1.00 0.00 C ATOM 681 CD LYS A 46 2.072 -10.393 9.727 1.00 0.00 C ATOM 682 CE LYS A 46 3.532 -10.733 9.419 1.00 0.00 C ATOM 683 NZ LYS A 46 3.846 -10.441 8.003 1.00 0.00 N ATOM 0 H LYS A 46 1.300 -6.032 8.279 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.060 -7.790 10.147 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.145 -8.110 8.765 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.881 -7.279 10.121 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.796 -9.177 11.354 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.049 -9.209 11.211 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.590 -11.245 10.206 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.535 -10.203 8.798 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.190 -10.157 10.070 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.718 -11.786 9.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 4.841 -10.678 7.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 3.230 -11.009 7.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 3.688 -9.431 7.814 1.00 0.00 H new ATOM 693 N ALA A 47 1.061 -4.909 11.058 1.00 0.00 N ATOM 694 CA ALA A 47 1.113 -3.959 12.157 1.00 0.00 C ATOM 695 C ALA A 47 -0.284 -3.383 12.394 1.00 0.00 C ATOM 696 O ALA A 47 -0.442 -2.414 13.135 1.00 0.00 O ATOM 697 CB ALA A 47 2.147 -2.875 11.846 1.00 0.00 C ATOM 0 H ALA A 47 1.277 -4.514 10.143 1.00 0.00 H new ATOM 0 HA ALA A 47 1.426 -4.453 13.077 1.00 0.00 H new ATOM 0 HB1 ALA A 47 2.186 -2.162 12.670 1.00 0.00 H new ATOM 0 HB2 ALA A 47 3.127 -3.334 11.716 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.865 -2.355 10.930 1.00 0.00 H new ATOM 703 N GLY A 48 -1.263 -4.003 11.751 1.00 0.00 N ATOM 704 CA GLY A 48 -2.641 -3.564 11.883 1.00 0.00 C ATOM 705 C GLY A 48 -2.876 -2.259 11.118 1.00 0.00 C ATOM 706 O GLY A 48 -2.314 -1.222 11.465 1.00 0.00 O ATOM 0 H GLY A 48 -1.128 -4.806 11.137 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.310 -4.337 11.505 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.882 -3.421 12.936 1.00 0.00 H new ATOM 710 N CYS A 49 -3.708 -2.354 10.091 1.00 0.00 N ATOM 711 CA CYS A 49 -4.024 -1.194 9.275 1.00 0.00 C ATOM 712 C CYS A 49 -5.536 -1.167 9.044 1.00 0.00 C ATOM 713 O CYS A 49 -6.091 -2.082 8.440 1.00 0.00 O ATOM 714 CB CYS A 49 -3.246 -1.201 7.957 1.00 0.00 C ATOM 715 SG CYS A 49 -1.877 0.012 8.033 1.00 0.00 S ATOM 0 H CYS A 49 -4.173 -3.216 9.806 1.00 0.00 H new ATOM 0 HA CYS A 49 -3.720 -0.286 9.796 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -2.850 -2.198 7.764 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -3.913 -0.958 7.130 1.00 0.00 H new ATOM 0 HG CYS A 49 -1.909 0.769 6.977 1.00 0.00 H new ATOM 720 N SER A 50 -6.159 -0.107 9.537 1.00 0.00 N ATOM 721 CA SER A 50 -7.595 0.051 9.393 1.00 0.00 C ATOM 722 C SER A 50 -8.016 -0.271 7.957 1.00 0.00 C ATOM 723 O SER A 50 -7.169 -0.410 7.076 1.00 0.00 O ATOM 724 CB SER A 50 -8.034 1.468 9.769 1.00 0.00 C ATOM 725 OG SER A 50 -8.651 1.513 11.053 1.00 0.00 O ATOM 0 H SER A 50 -5.695 0.651 10.037 1.00 0.00 H new ATOM 0 HA SER A 50 -8.085 -0.645 10.074 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.168 2.130 9.759 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.730 1.843 9.019 1.00 0.00 H new ATOM 0 HG SER A 50 -8.915 2.434 11.257 1.00 0.00 H new ATOM 730 N PRO A 51 -9.357 -0.383 7.762 1.00 0.00 N ATOM 731 CA PRO A 51 -9.899 -0.686 6.448 1.00 0.00 C ATOM 732 C PRO A 51 -9.833 0.538 5.533 1.00 0.00 C ATOM 733 O PRO A 51 -10.119 0.441 4.340 1.00 0.00 O ATOM 734 CB PRO A 51 -11.321 -1.156 6.709 1.00 0.00 C ATOM 735 CG PRO A 51 -11.676 -0.661 8.102 1.00 0.00 C ATOM 736 CD PRO A 51 -10.389 -0.225 8.783 1.00 0.00 C ATOM 0 HA PRO A 51 -9.329 -1.453 5.924 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -12.008 -0.753 5.965 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.390 -2.242 6.651 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -12.378 0.171 8.044 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -12.163 -1.450 8.675 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -10.452 0.808 9.125 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -10.177 -0.838 9.659 1.00 0.00 H new ATOM 741 N ALA A 52 -9.455 1.661 6.125 1.00 0.00 N ATOM 742 CA ALA A 52 -9.348 2.902 5.377 1.00 0.00 C ATOM 743 C ALA A 52 -8.141 2.825 4.440 1.00 0.00 C ATOM 744 O ALA A 52 -8.197 3.305 3.309 1.00 0.00 O ATOM 745 CB ALA A 52 -9.256 4.079 6.351 1.00 0.00 C ATOM 0 H ALA A 52 -9.219 1.738 7.114 1.00 0.00 H new ATOM 0 HA ALA A 52 -10.234 3.057 4.761 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -9.176 5.010 5.790 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -10.150 4.107 6.974 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -8.377 3.960 6.984 1.00 0.00 H new ATOM 751 N VAL A 53 -7.078 2.218 4.946 1.00 0.00 N ATOM 752 CA VAL A 53 -5.859 2.072 4.167 1.00 0.00 C ATOM 753 C VAL A 53 -6.000 0.874 3.225 1.00 0.00 C ATOM 754 O VAL A 53 -5.593 0.940 2.067 1.00 0.00 O ATOM 755 CB VAL A 53 -4.652 1.957 5.101 1.00 0.00 C ATOM 756 CG1 VAL A 53 -3.342 2.064 4.319 1.00 0.00 C ATOM 757 CG2 VAL A 53 -4.716 3.011 6.209 1.00 0.00 C ATOM 0 H VAL A 53 -7.035 1.822 5.885 1.00 0.00 H new ATOM 0 HA VAL A 53 -5.694 2.954 3.549 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.683 0.974 5.570 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -2.500 1.979 5.006 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.291 1.262 3.582 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -3.300 3.027 3.810 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.847 2.908 6.859 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -4.721 4.006 5.765 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.625 2.870 6.793 1.00 0.00 H new ATOM 767 N GLN A 54 -6.580 -0.191 3.758 1.00 0.00 N ATOM 768 CA GLN A 54 -6.780 -1.402 2.979 1.00 0.00 C ATOM 769 C GLN A 54 -7.649 -1.107 1.755 1.00 0.00 C ATOM 770 O GLN A 54 -7.408 -1.643 0.674 1.00 0.00 O ATOM 771 CB GLN A 54 -7.398 -2.509 3.837 1.00 0.00 C ATOM 772 CG GLN A 54 -6.437 -2.942 4.946 1.00 0.00 C ATOM 773 CD GLN A 54 -6.623 -4.424 5.284 1.00 0.00 C ATOM 774 OE1 GLN A 54 -5.732 -5.240 5.122 1.00 0.00 O ATOM 775 NE2 GLN A 54 -7.828 -4.722 5.762 1.00 0.00 N ATOM 0 H GLN A 54 -6.918 -0.241 4.719 1.00 0.00 H new ATOM 0 HA GLN A 54 -5.808 -1.755 2.634 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -8.331 -2.156 4.276 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -7.645 -3.365 3.210 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.409 -2.763 4.632 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -6.608 -2.338 5.837 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -8.528 -3.989 5.872 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -8.052 -5.684 6.018 1.00 0.00 H new ATOM 782 N MET A 55 -8.643 -0.256 1.965 1.00 0.00 N ATOM 783 CA MET A 55 -9.549 0.116 0.892 1.00 0.00 C ATOM 784 C MET A 55 -8.865 1.056 -0.103 1.00 0.00 C ATOM 785 O MET A 55 -9.079 0.953 -1.309 1.00 0.00 O ATOM 786 CB MET A 55 -10.782 0.805 1.481 1.00 0.00 C ATOM 787 CG MET A 55 -11.411 1.763 0.466 1.00 0.00 C ATOM 788 SD MET A 55 -11.957 0.857 -0.971 1.00 0.00 S ATOM 789 CE MET A 55 -13.613 1.503 -1.133 1.00 0.00 C ATOM 0 H MET A 55 -8.841 0.186 2.863 1.00 0.00 H new ATOM 0 HA MET A 55 -9.846 -0.789 0.362 1.00 0.00 H new ATOM 0 HB2 MET A 55 -11.514 0.055 1.781 1.00 0.00 H new ATOM 0 HB3 MET A 55 -10.502 1.354 2.380 1.00 0.00 H new ATOM 0 HG2 MET A 55 -12.254 2.284 0.920 1.00 0.00 H new ATOM 0 HG3 MET A 55 -10.686 2.523 0.173 1.00 0.00 H new ATOM 0 HE1 MET A 55 -14.102 1.040 -1.990 1.00 0.00 H new ATOM 0 HE2 MET A 55 -14.180 1.282 -0.228 1.00 0.00 H new ATOM 0 HE3 MET A 55 -13.570 2.582 -1.280 1.00 0.00 H new ATOM 797 N LYS A 56 -8.054 1.952 0.441 1.00 0.00 N ATOM 798 CA LYS A 56 -7.337 2.910 -0.383 1.00 0.00 C ATOM 799 C LYS A 56 -6.404 2.159 -1.335 1.00 0.00 C ATOM 800 O LYS A 56 -6.090 2.651 -2.418 1.00 0.00 O ATOM 801 CB LYS A 56 -6.622 3.940 0.493 1.00 0.00 C ATOM 802 CG LYS A 56 -6.157 5.139 -0.339 1.00 0.00 C ATOM 803 CD LYS A 56 -7.342 6.016 -0.746 1.00 0.00 C ATOM 804 CE LYS A 56 -7.381 7.303 0.080 1.00 0.00 C ATOM 805 NZ LYS A 56 -8.776 7.768 0.251 1.00 0.00 N ATOM 0 H LYS A 56 -7.878 2.034 1.442 1.00 0.00 H new ATOM 0 HA LYS A 56 -8.033 3.478 -1.000 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -7.292 4.279 1.283 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -5.764 3.476 0.980 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -5.443 5.730 0.235 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.637 4.788 -1.230 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -7.270 6.262 -1.805 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -8.272 5.464 -0.609 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.927 7.130 1.056 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.792 8.076 -0.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -8.784 8.642 0.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -9.197 7.953 -0.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -9.328 7.036 0.741 1.00 0.00 H new ATOM 815 N ILE A 57 -5.987 0.981 -0.896 1.00 0.00 N ATOM 816 CA ILE A 57 -5.096 0.157 -1.696 1.00 0.00 C ATOM 817 C ILE A 57 -5.782 -0.193 -3.018 1.00 0.00 C ATOM 818 O ILE A 57 -5.154 -0.159 -4.075 1.00 0.00 O ATOM 819 CB ILE A 57 -4.636 -1.066 -0.899 1.00 0.00 C ATOM 820 CG1 ILE A 57 -3.625 -0.669 0.178 1.00 0.00 C ATOM 821 CG2 ILE A 57 -4.090 -2.153 -1.827 1.00 0.00 C ATOM 822 CD1 ILE A 57 -3.326 -1.846 1.110 1.00 0.00 C ATOM 0 H ILE A 57 -6.249 0.577 0.003 1.00 0.00 H new ATOM 0 HA ILE A 57 -4.188 0.707 -1.943 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.502 -1.486 -0.388 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.702 -0.329 -0.292 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.015 0.168 0.757 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.770 -3.010 -1.235 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -4.870 -2.463 -2.523 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.240 -1.761 -2.386 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -2.605 -1.537 1.866 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -4.247 -2.168 1.597 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.914 -2.673 0.531 1.00 0.00 H new ATOM 833 N LYS A 58 -7.061 -0.522 -2.915 1.00 0.00 N ATOM 834 CA LYS A 58 -7.838 -0.879 -4.089 1.00 0.00 C ATOM 835 C LYS A 58 -8.064 0.370 -4.945 1.00 0.00 C ATOM 836 O LYS A 58 -8.038 0.298 -6.173 1.00 0.00 O ATOM 837 CB LYS A 58 -9.132 -1.587 -3.682 1.00 0.00 C ATOM 838 CG LYS A 58 -8.866 -3.050 -3.322 1.00 0.00 C ATOM 839 CD LYS A 58 -9.785 -3.512 -2.188 1.00 0.00 C ATOM 840 CE LYS A 58 -9.643 -5.016 -1.947 1.00 0.00 C ATOM 841 NZ LYS A 58 -10.684 -5.761 -2.691 1.00 0.00 N ATOM 0 H LYS A 58 -7.579 -0.549 -2.036 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.291 -1.594 -4.704 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -9.579 -1.074 -2.830 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.852 -1.535 -4.499 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.021 -3.678 -4.199 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -7.825 -3.171 -3.023 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -9.543 -2.969 -1.274 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -10.820 -3.275 -2.434 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -8.654 -5.349 -2.262 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -9.727 -5.229 -0.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -10.573 -6.780 -2.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -11.625 -5.455 -2.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -10.586 -5.572 -3.709 1.00 0.00 H new ATOM 851 N GLU A 59 -8.280 1.484 -4.262 1.00 0.00 N ATOM 852 CA GLU A 59 -8.510 2.746 -4.944 1.00 0.00 C ATOM 853 C GLU A 59 -7.266 3.157 -5.735 1.00 0.00 C ATOM 854 O GLU A 59 -7.358 3.481 -6.917 1.00 0.00 O ATOM 855 CB GLU A 59 -8.914 3.839 -3.952 1.00 0.00 C ATOM 856 CG GLU A 59 -10.124 3.405 -3.121 1.00 0.00 C ATOM 857 CD GLU A 59 -11.130 2.634 -3.977 1.00 0.00 C ATOM 858 OE1 GLU A 59 -11.829 3.302 -4.769 1.00 0.00 O ATOM 859 OE2 GLU A 59 -11.177 1.396 -3.820 1.00 0.00 O ATOM 0 H GLU A 59 -8.301 1.539 -3.244 1.00 0.00 H new ATOM 0 HA GLU A 59 -9.334 2.613 -5.644 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -8.076 4.063 -3.292 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -9.149 4.756 -4.492 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.794 2.781 -2.291 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -10.606 4.282 -2.689 1.00 0.00 H new ATOM 864 N LEU A 60 -6.133 3.129 -5.049 1.00 0.00 N ATOM 865 CA LEU A 60 -4.872 3.495 -5.673 1.00 0.00 C ATOM 866 C LEU A 60 -4.538 2.480 -6.769 1.00 0.00 C ATOM 867 O LEU A 60 -4.030 2.849 -7.827 1.00 0.00 O ATOM 868 CB LEU A 60 -3.775 3.643 -4.617 1.00 0.00 C ATOM 869 CG LEU A 60 -3.980 4.757 -3.589 1.00 0.00 C ATOM 870 CD1 LEU A 60 -3.478 4.329 -2.209 1.00 0.00 C ATOM 871 CD2 LEU A 60 -3.331 6.062 -4.056 1.00 0.00 C ATOM 0 H LEU A 60 -6.061 2.859 -4.068 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.953 4.470 -6.154 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -3.681 2.697 -4.084 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.828 3.817 -5.128 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.050 4.945 -3.498 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.636 5.139 -1.497 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.026 3.446 -1.880 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.414 4.097 -2.265 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.492 6.837 -3.307 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.261 5.907 -4.194 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.777 6.373 -5.001 1.00 0.00 H new ATOM 882 N TYR A 61 -4.835 1.222 -6.478 1.00 0.00 N ATOM 883 CA TYR A 61 -4.573 0.152 -7.425 1.00 0.00 C ATOM 884 C TYR A 61 -5.473 0.277 -8.656 1.00 0.00 C ATOM 885 O TYR A 61 -5.026 0.060 -9.781 1.00 0.00 O ATOM 886 CB TYR A 61 -4.905 -1.150 -6.693 1.00 0.00 C ATOM 887 CG TYR A 61 -4.673 -2.409 -7.529 1.00 0.00 C ATOM 888 CD1 TYR A 61 -5.647 -2.846 -8.406 1.00 0.00 C ATOM 889 CD2 TYR A 61 -3.490 -3.111 -7.408 1.00 0.00 C ATOM 890 CE1 TYR A 61 -5.428 -4.031 -9.192 1.00 0.00 C ATOM 891 CE2 TYR A 61 -3.272 -4.297 -8.194 1.00 0.00 C ATOM 892 CZ TYR A 61 -4.251 -4.699 -9.048 1.00 0.00 C ATOM 893 OH TYR A 61 -4.045 -5.819 -9.792 1.00 0.00 O ATOM 0 H TYR A 61 -5.255 0.920 -5.599 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.539 0.186 -7.767 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -4.300 -1.211 -5.788 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.948 -1.122 -6.378 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -6.573 -2.298 -8.502 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -2.728 -2.770 -6.723 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -6.181 -4.383 -9.881 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -2.351 -4.855 -8.107 1.00 0.00 H new ATOM 0 HH TYR A 61 -3.162 -6.191 -9.586 1.00 0.00 H new ATOM 902 N ARG A 62 -6.726 0.624 -8.401 1.00 0.00 N ATOM 903 CA ARG A 62 -7.693 0.780 -9.474 1.00 0.00 C ATOM 904 C ARG A 62 -7.336 1.991 -10.338 1.00 0.00 C ATOM 905 O ARG A 62 -7.201 1.871 -11.555 1.00 0.00 O ATOM 906 CB ARG A 62 -9.108 0.958 -8.918 1.00 0.00 C ATOM 907 CG ARG A 62 -9.751 -0.397 -8.613 1.00 0.00 C ATOM 908 CD ARG A 62 -11.200 -0.438 -9.101 1.00 0.00 C ATOM 909 NE ARG A 62 -11.244 -0.281 -10.571 1.00 0.00 N ATOM 910 CZ ARG A 62 -12.376 -0.190 -11.283 1.00 0.00 C ATOM 911 NH1 ARG A 62 -13.563 -0.238 -10.664 1.00 0.00 N ATOM 912 NH2 ARG A 62 -12.320 -0.050 -12.615 1.00 0.00 N ATOM 0 H ARG A 62 -7.094 0.802 -7.466 1.00 0.00 H new ATOM 0 HA ARG A 62 -7.664 -0.125 -10.081 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -9.073 1.561 -8.010 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -9.720 1.501 -9.638 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -9.179 -1.191 -9.093 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -9.719 -0.585 -7.540 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -11.662 -1.382 -8.814 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -11.775 0.356 -8.625 1.00 0.00 H new ATOM 0 HE ARG A 62 -10.358 -0.239 -11.074 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -13.606 -0.344 -9.650 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -14.424 -0.169 -11.206 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -11.416 -0.013 -13.086 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -13.181 0.019 -13.157 1.00 0.00 H new ATOM 923 N ARG A 63 -7.194 3.130 -9.676 1.00 0.00 N ATOM 924 CA ARG A 63 -6.856 4.361 -10.368 1.00 0.00 C ATOM 925 C ARG A 63 -5.773 4.100 -11.417 1.00 0.00 C ATOM 926 O ARG A 63 -5.798 4.686 -12.500 1.00 0.00 O ATOM 927 CB ARG A 63 -6.360 5.426 -9.389 1.00 0.00 C ATOM 928 CG ARG A 63 -7.528 6.061 -8.632 1.00 0.00 C ATOM 929 CD ARG A 63 -7.028 6.894 -7.449 1.00 0.00 C ATOM 930 NE ARG A 63 -8.166 7.286 -6.588 1.00 0.00 N ATOM 931 CZ ARG A 63 -9.055 8.237 -6.905 1.00 0.00 C ATOM 932 NH1 ARG A 63 -8.942 8.900 -8.064 1.00 0.00 N ATOM 933 NH2 ARG A 63 -10.056 8.526 -6.063 1.00 0.00 N ATOM 0 H ARG A 63 -7.307 3.226 -8.667 1.00 0.00 H new ATOM 0 HA ARG A 63 -7.760 4.725 -10.856 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.664 4.978 -8.680 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -5.812 6.196 -9.931 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -8.104 6.693 -9.308 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -8.200 5.282 -8.274 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -6.304 6.320 -6.870 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -6.513 7.783 -7.812 1.00 0.00 H new ATOM 0 HE ARG A 63 -8.281 6.802 -5.698 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -8.179 8.681 -8.705 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -9.619 9.624 -8.305 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -10.142 8.022 -5.180 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -10.733 9.250 -6.305 1.00 0.00 H new ATOM 944 N ARG A 64 -4.850 3.220 -11.062 1.00 0.00 N ATOM 945 CA ARG A 64 -3.761 2.873 -11.959 1.00 0.00 C ATOM 946 C ARG A 64 -4.094 1.595 -12.730 1.00 0.00 C ATOM 947 O ARG A 64 -3.246 0.716 -12.879 1.00 0.00 O ATOM 948 CB ARG A 64 -2.455 2.669 -11.188 1.00 0.00 C ATOM 949 CG ARG A 64 -1.925 3.999 -10.646 1.00 0.00 C ATOM 950 CD ARG A 64 -0.527 3.828 -10.050 1.00 0.00 C ATOM 951 NE ARG A 64 0.378 4.876 -10.574 1.00 0.00 N ATOM 952 CZ ARG A 64 1.054 4.775 -11.727 1.00 0.00 C ATOM 953 NH1 ARG A 64 0.931 3.676 -12.482 1.00 0.00 N ATOM 954 NH2 ARG A 64 1.852 5.776 -12.124 1.00 0.00 N ATOM 0 H ARG A 64 -4.833 2.736 -10.164 1.00 0.00 H new ATOM 0 HA ARG A 64 -3.632 3.700 -12.658 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -2.620 1.976 -10.363 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.710 2.215 -11.841 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -1.895 4.737 -11.448 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -2.605 4.383 -9.885 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -0.576 3.889 -8.963 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -0.136 2.841 -10.297 1.00 0.00 H new ATOM 0 HE ARG A 64 0.494 5.727 -10.024 1.00 0.00 H new ATOM 0 HH11 ARG A 64 0.323 2.915 -12.180 1.00 0.00 H new ATOM 0 HH12 ARG A 64 1.446 3.600 -13.359 1.00 0.00 H new ATOM 0 HH21 ARG A 64 1.944 6.613 -11.549 1.00 0.00 H new ATOM 0 HH22 ARG A 64 2.367 5.700 -13.001 1.00 0.00 H new ATOM 965 N PHE A 65 -5.332 1.531 -13.201 1.00 0.00 N ATOM 966 CA PHE A 65 -5.788 0.375 -13.953 1.00 0.00 C ATOM 967 C PHE A 65 -5.074 0.284 -15.304 1.00 0.00 C ATOM 968 O PHE A 65 -4.908 1.289 -15.991 1.00 0.00 O ATOM 969 CB PHE A 65 -7.287 0.560 -14.193 1.00 0.00 C ATOM 970 CG PHE A 65 -7.643 1.846 -14.942 1.00 0.00 C ATOM 971 CD1 PHE A 65 -7.441 1.929 -16.284 1.00 0.00 C ATOM 972 CD2 PHE A 65 -8.163 2.906 -14.265 1.00 0.00 C ATOM 973 CE1 PHE A 65 -7.771 3.123 -16.978 1.00 0.00 C ATOM 974 CE2 PHE A 65 -8.493 4.098 -14.960 1.00 0.00 C ATOM 975 CZ PHE A 65 -8.290 4.182 -16.303 1.00 0.00 C ATOM 0 H PHE A 65 -6.033 2.262 -13.076 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.575 -0.538 -13.397 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -7.662 -0.293 -14.758 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.802 0.557 -13.232 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -7.030 1.087 -16.822 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -8.324 2.840 -13.199 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -7.609 3.190 -18.044 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -8.906 4.939 -14.423 1.00 0.00 H new ATOM 0 HZ PHE A 65 -8.541 5.090 -16.832 1.00 0.00 H new