USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=13 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 19 GLN : amide:sc= -1.45 K(o=-7.4,f=-6.8) USER MOD Set 1.2: A 36 LYS NZ :NH3+ -128:sc= -5.92! (180deg=-11.6!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -5.49! C(o=-5.5!,f=-3.4!) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=-0.0029) USER MOD Single : A 34 SER OG : rot -69:sc= 1.25 USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 40 SER OG : rot 180:sc= -0.502 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HD1:sc= -7.11! C(o=-7.1!,f=-4.7!) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.0922 K(o=-0.092,f=-1.8!) USER MOD Single : A 51 MET CE :methyl 163:sc= -5.93! (180deg=-6.69!) USER MOD Single : A 52 MET CE :methyl 152:sc= -8.9! (180deg=-12.6!) USER MOD Single : A 54 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00378) USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=0) 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= -0.256 X(o=-0.26,f=-0.24) USER MOD Single : A 66 CYS SG : rot -150:sc= 0 USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 15 9.826 -3.779 -6.279 1.00 0.00 N ATOM 2 CA LEU A 15 8.982 -4.763 -6.933 1.00 0.00 C ATOM 3 C LEU A 15 7.785 -5.080 -6.033 1.00 0.00 C ATOM 4 O LEU A 15 6.639 -4.860 -6.419 1.00 0.00 O ATOM 5 CB LEU A 15 9.799 -5.996 -7.324 1.00 0.00 C ATOM 6 CG LEU A 15 10.412 -5.976 -8.727 1.00 0.00 C ATOM 7 CD1 LEU A 15 11.897 -5.611 -8.672 1.00 0.00 C ATOM 8 CD2 LEU A 15 10.175 -7.305 -9.447 1.00 0.00 C ATOM 0 HA LEU A 15 8.585 -4.363 -7.866 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.604 -6.119 -6.599 1.00 0.00 H new ATOM 0 HB3 LEU A 15 9.158 -6.874 -7.241 1.00 0.00 H new ATOM 0 HG LEU A 15 9.912 -5.201 -9.307 1.00 0.00 H new ATOM 0 HD11 LEU A 15 12.308 -5.604 -9.682 1.00 0.00 H new ATOM 0 HD12 LEU A 15 12.013 -4.623 -8.226 1.00 0.00 H new ATOM 0 HD13 LEU A 15 12.430 -6.346 -8.069 1.00 0.00 H new ATOM 0 HD21 LEU A 15 10.620 -7.265 -10.441 1.00 0.00 H new ATOM 0 HD22 LEU A 15 10.632 -8.114 -8.877 1.00 0.00 H new ATOM 0 HD23 LEU A 15 9.104 -7.484 -9.536 1.00 0.00 H new ATOM 19 N ARG A 16 8.094 -5.593 -4.852 1.00 0.00 N ATOM 20 CA ARG A 16 7.058 -5.942 -3.893 1.00 0.00 C ATOM 21 C ARG A 16 6.303 -4.689 -3.447 1.00 0.00 C ATOM 22 O ARG A 16 5.074 -4.651 -3.489 1.00 0.00 O ATOM 23 CB ARG A 16 7.654 -6.635 -2.666 1.00 0.00 C ATOM 24 CG ARG A 16 7.057 -8.032 -2.480 1.00 0.00 C ATOM 25 CD ARG A 16 7.645 -9.018 -3.491 1.00 0.00 C ATOM 26 NE ARG A 16 6.556 -9.710 -4.215 1.00 0.00 N ATOM 27 CZ ARG A 16 6.729 -10.825 -4.956 1.00 0.00 C ATOM 28 NH1 ARG A 16 7.952 -11.385 -5.075 1.00 0.00 N ATOM 29 NH2 ARG A 16 5.686 -11.360 -5.561 1.00 0.00 N ATOM 0 H ARG A 16 9.047 -5.776 -4.536 1.00 0.00 H new ATOM 0 HA ARG A 16 6.369 -6.629 -4.385 1.00 0.00 H new ATOM 0 HB2 ARG A 16 8.736 -6.710 -2.776 1.00 0.00 H new ATOM 0 HB3 ARG A 16 7.465 -6.034 -1.777 1.00 0.00 H new ATOM 0 HG2 ARG A 16 7.254 -8.384 -1.467 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.974 -7.987 -2.597 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.284 -8.489 -4.198 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.272 -9.747 -2.978 1.00 0.00 H new ATOM 0 HE ARG A 16 5.616 -9.320 -4.150 1.00 0.00 H new ATOM 0 HH11 ARG A 16 8.753 -10.965 -4.603 1.00 0.00 H new ATOM 0 HH12 ARG A 16 8.075 -12.228 -5.637 1.00 0.00 H new ATOM 0 HH21 ARG A 16 4.765 -10.931 -5.465 1.00 0.00 H new ATOM 0 HH22 ARG A 16 5.800 -12.202 -6.125 1.00 0.00 H new ATOM 39 N GLU A 17 7.069 -3.692 -3.030 1.00 0.00 N ATOM 40 CA GLU A 17 6.489 -2.441 -2.576 1.00 0.00 C ATOM 41 C GLU A 17 5.688 -1.787 -3.703 1.00 0.00 C ATOM 42 O GLU A 17 4.535 -1.402 -3.509 1.00 0.00 O ATOM 43 CB GLU A 17 7.569 -1.492 -2.051 1.00 0.00 C ATOM 44 CG GLU A 17 8.359 -2.139 -0.912 1.00 0.00 C ATOM 45 CD GLU A 17 9.671 -2.735 -1.424 1.00 0.00 C ATOM 46 OE1 GLU A 17 10.423 -2.059 -2.142 1.00 0.00 O ATOM 47 OE2 GLU A 17 9.900 -3.949 -1.050 1.00 0.00 O ATOM 0 H GLU A 17 8.088 -3.726 -2.997 1.00 0.00 H new ATOM 0 HA GLU A 17 5.810 -2.658 -1.751 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.246 -1.222 -2.861 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.108 -0.569 -1.700 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.569 -1.396 -0.142 1.00 0.00 H new ATOM 0 HG3 GLU A 17 7.758 -2.920 -0.446 1.00 0.00 H new ATOM 53 N ARG A 18 6.329 -1.682 -4.858 1.00 0.00 N ATOM 54 CA ARG A 18 5.691 -1.083 -6.017 1.00 0.00 C ATOM 55 C ARG A 18 4.466 -1.902 -6.432 1.00 0.00 C ATOM 56 O ARG A 18 3.491 -1.353 -6.942 1.00 0.00 O ATOM 57 CB ARG A 18 6.660 -0.995 -7.197 1.00 0.00 C ATOM 58 CG ARG A 18 6.948 0.462 -7.562 1.00 0.00 C ATOM 59 CD ARG A 18 7.848 0.551 -8.797 1.00 0.00 C ATOM 60 NE ARG A 18 7.959 1.957 -9.243 1.00 0.00 N ATOM 61 CZ ARG A 18 8.567 2.345 -10.385 1.00 0.00 C ATOM 62 NH1 ARG A 18 9.126 1.431 -11.206 1.00 0.00 N ATOM 63 NH2 ARG A 18 8.608 3.629 -10.685 1.00 0.00 N ATOM 0 H ARG A 18 7.285 -2.002 -5.016 1.00 0.00 H new ATOM 0 HA ARG A 18 5.382 -0.075 -5.740 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.592 -1.502 -6.946 1.00 0.00 H new ATOM 0 HB3 ARG A 18 6.238 -1.513 -8.058 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.011 0.985 -7.752 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.428 0.963 -6.721 1.00 0.00 H new ATOM 0 HD2 ARG A 18 8.837 0.155 -8.566 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.439 -0.062 -9.600 1.00 0.00 H new ATOM 0 HE ARG A 18 7.550 2.680 -8.650 1.00 0.00 H new ATOM 0 HH11 ARG A 18 9.091 0.440 -10.966 1.00 0.00 H new ATOM 0 HH12 ARG A 18 9.584 1.731 -12.067 1.00 0.00 H new ATOM 0 HH21 ARG A 18 8.184 4.313 -10.058 1.00 0.00 H new ATOM 0 HH22 ARG A 18 9.064 3.938 -11.544 1.00 0.00 H new ATOM 73 N GLN A 19 4.559 -3.203 -6.199 1.00 0.00 N ATOM 74 CA GLN A 19 3.471 -4.104 -6.542 1.00 0.00 C ATOM 75 C GLN A 19 2.298 -3.910 -5.578 1.00 0.00 C ATOM 76 O GLN A 19 1.176 -3.640 -6.006 1.00 0.00 O ATOM 77 CB GLN A 19 3.943 -5.558 -6.544 1.00 0.00 C ATOM 78 CG GLN A 19 2.775 -6.516 -6.300 1.00 0.00 C ATOM 79 CD GLN A 19 1.704 -6.361 -7.383 1.00 0.00 C ATOM 80 OE1 GLN A 19 1.990 -6.242 -8.563 1.00 0.00 O ATOM 81 NE2 GLN A 19 0.459 -6.368 -6.916 1.00 0.00 N ATOM 0 H GLN A 19 5.370 -3.655 -5.777 1.00 0.00 H new ATOM 0 HA GLN A 19 3.132 -3.865 -7.550 1.00 0.00 H new ATOM 0 HB2 GLN A 19 4.414 -5.790 -7.499 1.00 0.00 H new ATOM 0 HB3 GLN A 19 4.700 -5.699 -5.773 1.00 0.00 H new ATOM 0 HG2 GLN A 19 3.139 -7.543 -6.288 1.00 0.00 H new ATOM 0 HG3 GLN A 19 2.338 -6.321 -5.321 1.00 0.00 H new ATOM 0 HE21 GLN A 19 0.290 -6.472 -5.915 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -0.327 -6.270 -7.558 1.00 0.00 H new ATOM 88 N VAL A 20 2.596 -4.057 -4.296 1.00 0.00 N ATOM 89 CA VAL A 20 1.581 -3.903 -3.268 1.00 0.00 C ATOM 90 C VAL A 20 1.103 -2.449 -3.244 1.00 0.00 C ATOM 91 O VAL A 20 -0.088 -2.185 -3.079 1.00 0.00 O ATOM 92 CB VAL A 20 2.125 -4.375 -1.918 1.00 0.00 C ATOM 93 CG1 VAL A 20 1.011 -4.444 -0.872 1.00 0.00 C ATOM 94 CG2 VAL A 20 2.832 -5.725 -2.056 1.00 0.00 C ATOM 0 H VAL A 20 3.527 -4.281 -3.945 1.00 0.00 H new ATOM 0 HA VAL A 20 0.716 -4.527 -3.490 1.00 0.00 H new ATOM 0 HB VAL A 20 2.859 -3.645 -1.577 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.424 -4.782 0.078 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.570 -3.455 -0.745 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.244 -5.144 -1.203 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.210 -6.039 -1.083 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.127 -6.468 -2.429 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.663 -5.631 -2.755 1.00 0.00 H new ATOM 104 N LEU A 21 2.056 -1.543 -3.411 1.00 0.00 N ATOM 105 CA LEU A 21 1.747 -0.124 -3.412 1.00 0.00 C ATOM 106 C LEU A 21 0.737 0.175 -4.520 1.00 0.00 C ATOM 107 O LEU A 21 -0.113 1.051 -4.371 1.00 0.00 O ATOM 108 CB LEU A 21 3.031 0.704 -3.509 1.00 0.00 C ATOM 109 CG LEU A 21 2.851 2.222 -3.511 1.00 0.00 C ATOM 110 CD1 LEU A 21 1.974 2.672 -2.341 1.00 0.00 C ATOM 111 CD2 LEU A 21 4.205 2.934 -3.519 1.00 0.00 C ATOM 0 H LEU A 21 3.042 -1.765 -3.547 1.00 0.00 H new ATOM 0 HA LEU A 21 1.280 0.164 -2.470 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.677 0.436 -2.673 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.555 0.419 -4.421 1.00 0.00 H new ATOM 0 HG LEU A 21 2.333 2.503 -4.428 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.862 3.756 -2.366 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.993 2.204 -2.421 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.441 2.377 -1.401 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.049 4.013 -3.520 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.771 2.650 -2.631 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.762 2.647 -4.411 1.00 0.00 H new ATOM 122 N LYS A 22 0.865 -0.570 -5.609 1.00 0.00 N ATOM 123 CA LYS A 22 -0.026 -0.396 -6.743 1.00 0.00 C ATOM 124 C LYS A 22 -1.462 -0.692 -6.308 1.00 0.00 C ATOM 125 O LYS A 22 -2.369 0.101 -6.563 1.00 0.00 O ATOM 126 CB LYS A 22 0.443 -1.242 -7.928 1.00 0.00 C ATOM 127 CG LYS A 22 1.150 -0.378 -8.974 1.00 0.00 C ATOM 128 CD LYS A 22 1.052 -1.008 -10.364 1.00 0.00 C ATOM 129 CE LYS A 22 -0.098 -0.393 -11.164 1.00 0.00 C ATOM 130 NZ LYS A 22 -0.297 -1.126 -12.436 1.00 0.00 N ATOM 0 H LYS A 22 1.572 -1.295 -5.729 1.00 0.00 H new ATOM 0 HA LYS A 22 -0.003 0.637 -7.089 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.120 -2.021 -7.578 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.412 -1.743 -8.383 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.705 0.617 -8.990 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.198 -0.254 -8.700 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.990 -0.864 -10.900 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.900 -2.083 -10.270 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.014 -0.421 -10.574 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.116 0.656 -11.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.081 -0.695 -12.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.573 -1.078 -13.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.522 -2.121 -12.232 1.00 0.00 H new ATOM 139 N LEU A 23 -1.628 -1.834 -5.658 1.00 0.00 N ATOM 140 CA LEU A 23 -2.939 -2.243 -5.184 1.00 0.00 C ATOM 141 C LEU A 23 -3.341 -1.374 -3.991 1.00 0.00 C ATOM 142 O LEU A 23 -4.429 -0.800 -3.974 1.00 0.00 O ATOM 143 CB LEU A 23 -2.956 -3.744 -4.884 1.00 0.00 C ATOM 144 CG LEU A 23 -3.302 -4.137 -3.448 1.00 0.00 C ATOM 145 CD1 LEU A 23 -4.069 -5.460 -3.410 1.00 0.00 C ATOM 146 CD2 LEU A 23 -2.047 -4.178 -2.571 1.00 0.00 C ATOM 0 H LEU A 23 -0.875 -2.490 -5.448 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.689 -2.087 -5.959 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.673 -4.220 -5.553 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.975 -4.154 -5.125 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.959 -3.371 -3.035 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.302 -5.716 -2.376 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.995 -5.360 -3.977 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.457 -6.248 -3.849 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.322 -4.460 -1.555 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.346 -4.909 -2.973 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.579 -3.194 -2.560 1.00 0.00 H new ATOM 157 N ILE A 24 -2.439 -1.303 -3.021 1.00 0.00 N ATOM 158 CA ILE A 24 -2.686 -0.513 -1.826 1.00 0.00 C ATOM 159 C ILE A 24 -3.151 0.886 -2.234 1.00 0.00 C ATOM 160 O ILE A 24 -3.949 1.508 -1.535 1.00 0.00 O ATOM 161 CB ILE A 24 -1.454 -0.514 -0.920 1.00 0.00 C ATOM 162 CG1 ILE A 24 -1.853 -0.668 0.548 1.00 0.00 C ATOM 163 CG2 ILE A 24 -0.602 0.735 -1.155 1.00 0.00 C ATOM 164 CD1 ILE A 24 -0.668 -1.143 1.392 1.00 0.00 C ATOM 0 H ILE A 24 -1.537 -1.779 -3.039 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.487 -0.955 -1.234 1.00 0.00 H new ATOM 0 HB ILE A 24 -0.840 -1.377 -1.178 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.218 0.285 0.931 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.673 -1.381 0.633 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.268 0.711 -0.499 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.273 0.761 -2.194 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.194 1.625 -0.940 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -0.979 -1.244 2.432 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.321 -2.108 1.022 1.00 0.00 H new ATOM 0 HD13 ILE A 24 0.141 -0.416 1.325 1.00 0.00 H new ATOM 175 N ASP A 25 -2.630 1.343 -3.363 1.00 0.00 N ATOM 176 CA ASP A 25 -2.982 2.657 -3.873 1.00 0.00 C ATOM 177 C ASP A 25 -4.467 2.678 -4.240 1.00 0.00 C ATOM 178 O ASP A 25 -5.182 3.619 -3.899 1.00 0.00 O ATOM 179 CB ASP A 25 -2.179 2.995 -5.130 1.00 0.00 C ATOM 180 CG ASP A 25 -2.580 4.297 -5.824 1.00 0.00 C ATOM 181 OD1 ASP A 25 -3.320 5.120 -5.262 1.00 0.00 O ATOM 182 OD2 ASP A 25 -2.096 4.456 -7.009 1.00 0.00 O ATOM 0 H ASP A 25 -1.966 0.826 -3.939 1.00 0.00 H new ATOM 0 HA ASP A 25 -2.760 3.389 -3.096 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.124 3.053 -4.864 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.284 2.175 -5.841 1.00 0.00 H new ATOM 187 N GLU A 26 -4.886 1.628 -4.931 1.00 0.00 N ATOM 188 CA GLU A 26 -6.274 1.513 -5.349 1.00 0.00 C ATOM 189 C GLU A 26 -7.197 1.515 -4.128 1.00 0.00 C ATOM 190 O GLU A 26 -8.107 2.336 -4.036 1.00 0.00 O ATOM 191 CB GLU A 26 -6.488 0.258 -6.198 1.00 0.00 C ATOM 192 CG GLU A 26 -6.720 0.623 -7.665 1.00 0.00 C ATOM 193 CD GLU A 26 -5.397 0.929 -8.370 1.00 0.00 C ATOM 194 OE1 GLU A 26 -4.981 2.097 -8.426 1.00 0.00 O ATOM 195 OE2 GLU A 26 -4.795 -0.097 -8.868 1.00 0.00 O ATOM 0 H GLU A 26 -4.290 0.850 -5.212 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.521 2.376 -5.968 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.619 -0.394 -6.115 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.344 -0.301 -5.819 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.225 -0.199 -8.172 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.379 1.489 -7.728 1.00 0.00 H new ATOM 201 N GLY A 27 -6.930 0.584 -3.223 1.00 0.00 N ATOM 202 CA GLY A 27 -7.726 0.468 -2.013 1.00 0.00 C ATOM 203 C GLY A 27 -7.932 -1.000 -1.630 1.00 0.00 C ATOM 204 O GLY A 27 -8.469 -1.780 -2.414 1.00 0.00 O ATOM 0 H GLY A 27 -6.174 -0.096 -3.304 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.232 0.995 -1.197 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.693 0.948 -2.162 1.00 0.00 H new ATOM 208 N TYR A 28 -7.490 -1.330 -0.426 1.00 0.00 N ATOM 209 CA TYR A 28 -7.620 -2.691 0.070 1.00 0.00 C ATOM 210 C TYR A 28 -7.509 -2.730 1.596 1.00 0.00 C ATOM 211 O TYR A 28 -8.243 -3.465 2.256 1.00 0.00 O ATOM 212 CB TYR A 28 -6.452 -3.472 -0.534 1.00 0.00 C ATOM 213 CG TYR A 28 -6.546 -3.656 -2.051 1.00 0.00 C ATOM 214 CD1 TYR A 28 -6.137 -2.644 -2.896 1.00 0.00 C ATOM 215 CD2 TYR A 28 -7.039 -4.835 -2.574 1.00 0.00 C ATOM 216 CE1 TYR A 28 -6.224 -2.818 -4.322 1.00 0.00 C ATOM 217 CE2 TYR A 28 -7.126 -5.008 -4.000 1.00 0.00 C ATOM 218 CZ TYR A 28 -6.715 -3.991 -4.804 1.00 0.00 C ATOM 219 OH TYR A 28 -6.799 -4.156 -6.152 1.00 0.00 O ATOM 0 H TYR A 28 -7.042 -0.680 0.220 1.00 0.00 H new ATOM 0 HA TYR A 28 -8.589 -3.109 -0.203 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -5.522 -2.955 -0.298 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -6.401 -4.453 -0.062 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -5.752 -1.722 -2.487 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -7.359 -5.627 -1.913 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -5.906 -2.035 -4.994 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -7.509 -5.925 -4.422 1.00 0.00 H new ATOM 0 HH TYR A 28 -7.167 -5.042 -6.351 1.00 0.00 H new ATOM 228 N THR A 29 -6.587 -1.931 2.112 1.00 0.00 N ATOM 229 CA THR A 29 -6.371 -1.865 3.547 1.00 0.00 C ATOM 230 C THR A 29 -5.445 -2.997 3.998 1.00 0.00 C ATOM 231 O THR A 29 -4.420 -2.748 4.633 1.00 0.00 O ATOM 232 CB THR A 29 -7.738 -1.890 4.232 1.00 0.00 C ATOM 233 OG1 THR A 29 -7.646 -0.875 5.229 1.00 0.00 O ATOM 234 CG2 THR A 29 -7.971 -3.176 5.030 1.00 0.00 C ATOM 0 H THR A 29 -5.980 -1.323 1.561 1.00 0.00 H new ATOM 0 HA THR A 29 -5.867 -0.941 3.830 1.00 0.00 H new ATOM 0 HB THR A 29 -8.521 -1.782 3.482 1.00 0.00 H new ATOM 0 HG1 THR A 29 -8.492 -0.822 5.721 1.00 0.00 H new ATOM 0 HG21 THR A 29 -8.956 -3.142 5.496 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.916 -4.035 4.361 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.207 -3.268 5.802 1.00 0.00 H new ATOM 242 N ASN A 30 -5.837 -4.213 3.654 1.00 0.00 N ATOM 243 CA ASN A 30 -5.054 -5.383 4.017 1.00 0.00 C ATOM 244 C ASN A 30 -5.810 -6.647 3.596 1.00 0.00 C ATOM 245 O ASN A 30 -5.265 -7.490 2.885 1.00 0.00 O ATOM 246 CB ASN A 30 -4.829 -5.448 5.527 1.00 0.00 C ATOM 247 CG ASN A 30 -3.370 -5.144 5.878 1.00 0.00 C ATOM 248 OD1 ASN A 30 -3.065 -4.263 6.665 1.00 0.00 O ATOM 249 ND2 ASN A 30 -2.490 -5.918 5.250 1.00 0.00 N ATOM 0 H ASN A 30 -6.687 -4.415 3.127 1.00 0.00 H new ATOM 0 HA ASN A 30 -4.090 -5.314 3.512 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -5.483 -4.734 6.027 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -5.097 -6.438 5.896 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -1.491 -5.792 5.415 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -2.814 -6.637 4.603 1.00 0.00 H new ATOM 255 N HIS A 31 -7.050 -6.735 4.053 1.00 0.00 N ATOM 256 CA HIS A 31 -7.884 -7.881 3.733 1.00 0.00 C ATOM 257 C HIS A 31 -7.934 -8.073 2.217 1.00 0.00 C ATOM 258 O HIS A 31 -7.761 -9.187 1.723 1.00 0.00 O ATOM 259 CB HIS A 31 -9.273 -7.733 4.358 1.00 0.00 C ATOM 260 CG HIS A 31 -9.607 -8.798 5.374 1.00 0.00 C ATOM 261 ND1 HIS A 31 -9.600 -8.562 6.737 1.00 0.00 N ATOM 262 CD2 HIS A 31 -9.959 -10.106 5.211 1.00 0.00 C ATOM 263 CE1 HIS A 31 -9.932 -9.685 7.358 1.00 0.00 C ATOM 264 NE2 HIS A 31 -10.154 -10.640 6.410 1.00 0.00 N ATOM 0 H HIS A 31 -7.497 -6.032 4.642 1.00 0.00 H new ATOM 0 HA HIS A 31 -7.449 -8.783 4.164 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -9.343 -6.756 4.835 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -10.021 -7.755 3.565 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -10.062 -10.620 4.266 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -10.013 -9.820 8.427 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -10.425 -11.606 6.593 1.00 0.00 H new ATOM 271 N GLY A 32 -8.167 -6.972 1.520 1.00 0.00 N ATOM 272 CA GLY A 32 -8.241 -7.005 0.070 1.00 0.00 C ATOM 273 C GLY A 32 -6.944 -7.549 -0.534 1.00 0.00 C ATOM 274 O GLY A 32 -6.975 -8.441 -1.380 1.00 0.00 O ATOM 0 H GLY A 32 -8.307 -6.050 1.933 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -9.080 -7.628 -0.241 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.431 -6.001 -0.311 1.00 0.00 H new ATOM 278 N ILE A 33 -5.835 -6.988 -0.074 1.00 0.00 N ATOM 279 CA ILE A 33 -4.530 -7.406 -0.557 1.00 0.00 C ATOM 280 C ILE A 33 -4.405 -8.925 -0.427 1.00 0.00 C ATOM 281 O ILE A 33 -3.761 -9.572 -1.250 1.00 0.00 O ATOM 282 CB ILE A 33 -3.421 -6.633 0.161 1.00 0.00 C ATOM 283 CG1 ILE A 33 -3.621 -5.124 0.016 1.00 0.00 C ATOM 284 CG2 ILE A 33 -2.040 -7.078 -0.327 1.00 0.00 C ATOM 285 CD1 ILE A 33 -2.437 -4.354 0.602 1.00 0.00 C ATOM 0 H ILE A 33 -5.813 -6.248 0.628 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.420 -7.167 -1.615 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.477 -6.863 1.225 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.739 -4.869 -1.037 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -4.539 -4.825 0.521 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.269 -6.514 0.198 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.910 -8.142 -0.129 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.956 -6.895 -1.398 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.606 -3.283 0.485 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.336 -4.592 1.661 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.524 -4.637 0.078 1.00 0.00 H new ATOM 296 N SER A 34 -5.031 -9.450 0.616 1.00 0.00 N ATOM 297 CA SER A 34 -4.998 -10.883 0.865 1.00 0.00 C ATOM 298 C SER A 34 -5.882 -11.611 -0.148 1.00 0.00 C ATOM 299 O SER A 34 -5.696 -12.800 -0.398 1.00 0.00 O ATOM 300 CB SER A 34 -5.450 -11.203 2.291 1.00 0.00 C ATOM 301 OG SER A 34 -6.812 -11.619 2.338 1.00 0.00 O ATOM 0 H SER A 34 -5.564 -8.910 1.298 1.00 0.00 H new ATOM 0 HA SER A 34 -3.970 -11.227 0.752 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.817 -11.988 2.705 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.318 -10.322 2.920 1.00 0.00 H new ATOM 0 HG SER A 34 -7.393 -10.861 2.120 1.00 0.00 H new ATOM 306 N GLU A 35 -6.824 -10.865 -0.707 1.00 0.00 N ATOM 307 CA GLU A 35 -7.737 -11.425 -1.689 1.00 0.00 C ATOM 308 C GLU A 35 -7.148 -11.297 -3.096 1.00 0.00 C ATOM 309 O GLU A 35 -7.427 -12.120 -3.966 1.00 0.00 O ATOM 310 CB GLU A 35 -9.110 -10.755 -1.606 1.00 0.00 C ATOM 311 CG GLU A 35 -10.086 -11.602 -0.787 1.00 0.00 C ATOM 312 CD GLU A 35 -11.317 -10.787 -0.385 1.00 0.00 C ATOM 313 OE1 GLU A 35 -11.216 -9.892 0.465 1.00 0.00 O ATOM 314 OE2 GLU A 35 -12.407 -11.112 -0.993 1.00 0.00 O ATOM 0 H GLU A 35 -6.975 -9.878 -0.499 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.872 -12.484 -1.468 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.010 -9.769 -1.153 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.507 -10.606 -2.610 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -10.395 -12.471 -1.368 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.586 -11.977 0.106 1.00 0.00 H new ATOM 320 N LYS A 36 -6.346 -10.258 -3.273 1.00 0.00 N ATOM 321 CA LYS A 36 -5.715 -10.011 -4.560 1.00 0.00 C ATOM 322 C LYS A 36 -4.347 -10.696 -4.591 1.00 0.00 C ATOM 323 O LYS A 36 -4.052 -11.459 -5.510 1.00 0.00 O ATOM 324 CB LYS A 36 -5.659 -8.511 -4.850 1.00 0.00 C ATOM 325 CG LYS A 36 -5.041 -8.239 -6.222 1.00 0.00 C ATOM 326 CD LYS A 36 -4.057 -7.070 -6.159 1.00 0.00 C ATOM 327 CE LYS A 36 -3.015 -7.169 -7.276 1.00 0.00 C ATOM 328 NZ LYS A 36 -2.243 -8.425 -7.155 1.00 0.00 N ATOM 0 H LYS A 36 -6.118 -9.578 -2.548 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.308 -10.445 -5.365 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.664 -8.092 -4.811 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.075 -8.010 -4.078 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -4.527 -9.132 -6.577 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.829 -8.017 -6.942 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.599 -6.128 -6.245 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.557 -7.062 -5.190 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.509 -7.131 -8.247 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.340 -6.314 -7.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -1.226 -8.210 -7.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.487 -8.898 -6.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -2.473 -9.052 -7.952 1.00 0.00 H new ATOM 337 N LEU A 37 -3.548 -10.397 -3.577 1.00 0.00 N ATOM 338 CA LEU A 37 -2.218 -10.974 -3.479 1.00 0.00 C ATOM 339 C LEU A 37 -2.314 -12.358 -2.832 1.00 0.00 C ATOM 340 O LEU A 37 -1.339 -13.107 -2.813 1.00 0.00 O ATOM 341 CB LEU A 37 -1.274 -10.018 -2.748 1.00 0.00 C ATOM 342 CG LEU A 37 -0.208 -9.337 -3.610 1.00 0.00 C ATOM 343 CD1 LEU A 37 -0.818 -8.784 -4.900 1.00 0.00 C ATOM 344 CD2 LEU A 37 0.533 -8.259 -2.819 1.00 0.00 C ATOM 0 H LEU A 37 -3.796 -9.763 -2.817 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.788 -11.114 -4.471 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.873 -9.244 -2.268 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.772 -10.571 -1.954 1.00 0.00 H new ATOM 0 HG LEU A 37 0.529 -10.087 -3.897 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.040 -8.305 -5.494 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.261 -9.599 -5.472 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.588 -8.053 -4.654 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.284 -7.792 -3.456 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.176 -7.504 -2.481 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.020 -8.712 -1.955 1.00 0.00 H new ATOM 355 N HIS A 38 -3.499 -12.654 -2.318 1.00 0.00 N ATOM 356 CA HIS A 38 -3.734 -13.934 -1.672 1.00 0.00 C ATOM 357 C HIS A 38 -3.398 -13.828 -0.182 1.00 0.00 C ATOM 358 O HIS A 38 -2.611 -12.973 0.220 1.00 0.00 O ATOM 359 CB HIS A 38 -2.958 -15.049 -2.377 1.00 0.00 C ATOM 360 CG HIS A 38 -3.648 -16.392 -2.342 1.00 0.00 C ATOM 361 ND1 HIS A 38 -3.312 -17.385 -1.438 1.00 0.00 N ATOM 362 CD2 HIS A 38 -4.657 -16.896 -3.109 1.00 0.00 C ATOM 363 CE1 HIS A 38 -4.089 -18.434 -1.662 1.00 0.00 C ATOM 364 NE2 HIS A 38 -4.922 -18.129 -2.696 1.00 0.00 N ATOM 0 H HIS A 38 -4.306 -12.030 -2.336 1.00 0.00 H new ATOM 0 HA HIS A 38 -4.789 -14.197 -1.753 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -2.794 -14.763 -3.416 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -1.976 -15.144 -1.913 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -5.156 -16.379 -3.916 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -4.066 -19.368 -1.120 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -5.633 -18.747 -3.088 1.00 0.00 H new ATOM 371 N ILE A 39 -4.012 -14.709 0.594 1.00 0.00 N ATOM 372 CA ILE A 39 -3.787 -14.724 2.029 1.00 0.00 C ATOM 373 C ILE A 39 -2.315 -14.420 2.314 1.00 0.00 C ATOM 374 O ILE A 39 -1.454 -15.278 2.131 1.00 0.00 O ATOM 375 CB ILE A 39 -4.270 -16.044 2.633 1.00 0.00 C ATOM 376 CG1 ILE A 39 -3.357 -17.202 2.222 1.00 0.00 C ATOM 377 CG2 ILE A 39 -5.732 -16.311 2.270 1.00 0.00 C ATOM 378 CD1 ILE A 39 -2.288 -17.462 3.284 1.00 0.00 C ATOM 0 H ILE A 39 -4.664 -15.417 0.256 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.374 -13.944 2.514 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.218 -15.962 3.719 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.952 -18.103 2.072 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.880 -16.973 1.269 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -6.050 -17.255 2.712 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -6.355 -15.503 2.653 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -5.834 -16.365 1.186 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.653 -18.289 2.967 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.679 -16.567 3.414 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.768 -17.715 4.229 1.00 0.00 H new ATOM 389 N SER A 40 -2.073 -13.195 2.759 1.00 0.00 N ATOM 390 CA SER A 40 -0.719 -12.767 3.071 1.00 0.00 C ATOM 391 C SER A 40 -0.738 -11.344 3.633 1.00 0.00 C ATOM 392 O SER A 40 0.054 -10.499 3.217 1.00 0.00 O ATOM 393 CB SER A 40 0.180 -12.839 1.835 1.00 0.00 C ATOM 394 OG SER A 40 1.475 -13.343 2.147 1.00 0.00 O ATOM 0 H SER A 40 -2.791 -12.486 2.911 1.00 0.00 H new ATOM 0 HA SER A 40 -0.310 -13.442 3.823 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.286 -13.477 1.084 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.273 -11.846 1.396 1.00 0.00 H new ATOM 0 HG SER A 40 2.019 -13.375 1.332 1.00 0.00 H new ATOM 399 N ILE A 41 -1.650 -11.123 4.568 1.00 0.00 N ATOM 400 CA ILE A 41 -1.781 -9.817 5.192 1.00 0.00 C ATOM 401 C ILE A 41 -0.513 -9.509 5.991 1.00 0.00 C ATOM 402 O ILE A 41 -0.074 -8.360 6.046 1.00 0.00 O ATOM 403 CB ILE A 41 -3.064 -9.745 6.020 1.00 0.00 C ATOM 404 CG1 ILE A 41 -4.301 -9.876 5.130 1.00 0.00 C ATOM 405 CG2 ILE A 41 -3.099 -8.472 6.868 1.00 0.00 C ATOM 406 CD1 ILE A 41 -5.531 -9.267 5.806 1.00 0.00 C ATOM 0 H ILE A 41 -2.306 -11.826 4.909 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.876 -9.040 4.434 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.073 -10.590 6.708 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.122 -9.378 4.177 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.486 -10.928 4.911 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.022 -8.446 7.447 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.245 -8.463 7.546 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.055 -7.599 6.216 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -6.396 -9.374 5.152 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -5.722 -9.783 6.747 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.352 -8.210 6.002 1.00 0.00 H new ATOM 417 N LYS A 42 0.039 -10.553 6.592 1.00 0.00 N ATOM 418 CA LYS A 42 1.246 -10.408 7.386 1.00 0.00 C ATOM 419 C LYS A 42 2.375 -9.880 6.498 1.00 0.00 C ATOM 420 O LYS A 42 3.147 -9.020 6.917 1.00 0.00 O ATOM 421 CB LYS A 42 1.583 -11.722 8.094 1.00 0.00 C ATOM 422 CG LYS A 42 1.923 -11.481 9.566 1.00 0.00 C ATOM 423 CD LYS A 42 2.620 -12.699 10.174 1.00 0.00 C ATOM 424 CE LYS A 42 3.452 -12.301 11.395 1.00 0.00 C ATOM 425 NZ LYS A 42 3.689 -13.475 12.266 1.00 0.00 N ATOM 0 H LYS A 42 -0.328 -11.503 6.545 1.00 0.00 H new ATOM 0 HA LYS A 42 1.095 -9.676 8.179 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.738 -12.406 8.020 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.426 -12.201 7.596 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.567 -10.606 9.656 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.011 -11.264 10.123 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.876 -13.442 10.463 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.263 -13.165 9.427 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.405 -11.882 11.072 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.935 -11.523 11.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.255 -13.187 13.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.777 -13.858 12.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.201 -14.206 11.732 1.00 0.00 H new ATOM 434 N THR A 43 2.435 -10.418 5.289 1.00 0.00 N ATOM 435 CA THR A 43 3.456 -10.012 4.339 1.00 0.00 C ATOM 436 C THR A 43 3.328 -8.520 4.023 1.00 0.00 C ATOM 437 O THR A 43 4.332 -7.823 3.893 1.00 0.00 O ATOM 438 CB THR A 43 3.335 -10.907 3.103 1.00 0.00 C ATOM 439 OG1 THR A 43 4.685 -11.148 2.715 1.00 0.00 O ATOM 440 CG2 THR A 43 2.729 -10.173 1.905 1.00 0.00 C ATOM 0 H THR A 43 1.793 -11.132 4.945 1.00 0.00 H new ATOM 0 HA THR A 43 4.456 -10.140 4.755 1.00 0.00 H new ATOM 0 HB THR A 43 2.723 -11.776 3.344 1.00 0.00 H new ATOM 0 HG1 THR A 43 4.700 -11.722 1.921 1.00 0.00 H new ATOM 0 HG21 THR A 43 2.666 -10.853 1.056 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.730 -9.820 2.162 1.00 0.00 H new ATOM 0 HG23 THR A 43 3.359 -9.323 1.643 1.00 0.00 H new ATOM 448 N VAL A 44 2.085 -8.077 3.909 1.00 0.00 N ATOM 449 CA VAL A 44 1.813 -6.681 3.612 1.00 0.00 C ATOM 450 C VAL A 44 2.511 -5.797 4.647 1.00 0.00 C ATOM 451 O VAL A 44 3.072 -4.757 4.305 1.00 0.00 O ATOM 452 CB VAL A 44 0.303 -6.444 3.546 1.00 0.00 C ATOM 453 CG1 VAL A 44 -0.016 -4.949 3.486 1.00 0.00 C ATOM 454 CG2 VAL A 44 -0.316 -7.185 2.358 1.00 0.00 C ATOM 0 H VAL A 44 1.255 -8.660 4.017 1.00 0.00 H new ATOM 0 HA VAL A 44 2.214 -6.415 2.634 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.139 -6.844 4.459 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.096 -4.809 3.440 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.376 -4.457 4.376 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.445 -4.514 2.599 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.390 -7.000 2.333 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.135 -6.828 1.432 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.134 -8.255 2.462 1.00 0.00 H new ATOM 464 N GLU A 45 2.454 -6.244 5.894 1.00 0.00 N ATOM 465 CA GLU A 45 3.074 -5.507 6.983 1.00 0.00 C ATOM 466 C GLU A 45 4.563 -5.299 6.702 1.00 0.00 C ATOM 467 O GLU A 45 5.062 -4.178 6.779 1.00 0.00 O ATOM 468 CB GLU A 45 2.861 -6.221 8.319 1.00 0.00 C ATOM 469 CG GLU A 45 2.875 -5.226 9.481 1.00 0.00 C ATOM 470 CD GLU A 45 3.723 -5.750 10.641 1.00 0.00 C ATOM 471 OE1 GLU A 45 3.359 -6.756 11.270 1.00 0.00 O ATOM 472 OE2 GLU A 45 4.795 -5.075 10.884 1.00 0.00 O ATOM 0 H GLU A 45 1.988 -7.107 6.174 1.00 0.00 H new ATOM 0 HA GLU A 45 2.598 -4.529 7.052 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.910 -6.754 8.303 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.642 -6.967 8.465 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.270 -4.269 9.140 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.856 -5.046 9.823 1.00 0.00 H new ATOM 478 N THR A 46 5.232 -6.398 6.383 1.00 0.00 N ATOM 479 CA THR A 46 6.656 -6.350 6.091 1.00 0.00 C ATOM 480 C THR A 46 6.923 -5.435 4.896 1.00 0.00 C ATOM 481 O THR A 46 7.979 -4.808 4.815 1.00 0.00 O ATOM 482 CB THR A 46 7.142 -7.785 5.880 1.00 0.00 C ATOM 483 OG1 THR A 46 7.163 -8.342 7.191 1.00 0.00 O ATOM 484 CG2 THR A 46 8.602 -7.846 5.425 1.00 0.00 C ATOM 0 H THR A 46 4.815 -7.327 6.320 1.00 0.00 H new ATOM 0 HA THR A 46 7.218 -5.920 6.920 1.00 0.00 H new ATOM 0 HB THR A 46 6.510 -8.278 5.141 1.00 0.00 H new ATOM 0 HG1 THR A 46 7.465 -9.273 7.146 1.00 0.00 H new ATOM 0 HG21 THR A 46 8.898 -8.886 5.290 1.00 0.00 H new ATOM 0 HG22 THR A 46 8.712 -7.312 4.481 1.00 0.00 H new ATOM 0 HG23 THR A 46 9.238 -7.383 6.180 1.00 0.00 H new ATOM 492 N HIS A 47 5.950 -5.387 3.998 1.00 0.00 N ATOM 493 CA HIS A 47 6.069 -4.557 2.811 1.00 0.00 C ATOM 494 C HIS A 47 5.948 -3.082 3.200 1.00 0.00 C ATOM 495 O HIS A 47 6.650 -2.234 2.654 1.00 0.00 O ATOM 496 CB HIS A 47 5.046 -4.976 1.752 1.00 0.00 C ATOM 497 CG HIS A 47 5.302 -6.339 1.157 1.00 0.00 C ATOM 498 ND1 HIS A 47 6.478 -7.038 1.362 1.00 0.00 N ATOM 499 CD2 HIS A 47 4.522 -7.125 0.360 1.00 0.00 C ATOM 500 CE1 HIS A 47 6.399 -8.191 0.714 1.00 0.00 C ATOM 501 NE2 HIS A 47 5.185 -8.242 0.091 1.00 0.00 N ATOM 0 H HIS A 47 5.076 -5.909 4.068 1.00 0.00 H new ATOM 0 HA HIS A 47 7.052 -4.698 2.361 1.00 0.00 H new ATOM 0 HB2 HIS A 47 4.052 -4.967 2.198 1.00 0.00 H new ATOM 0 HB3 HIS A 47 5.043 -4.236 0.952 1.00 0.00 H new ATOM 0 HD2 HIS A 47 3.531 -6.879 0.007 1.00 0.00 H new ATOM 0 HE1 HIS A 47 7.161 -8.956 0.684 1.00 0.00 H new ATOM 0 HE2 HIS A 47 4.844 -9.011 -0.486 1.00 0.00 H new ATOM 508 N ARG A 48 5.053 -2.824 4.141 1.00 0.00 N ATOM 509 CA ARG A 48 4.833 -1.466 4.611 1.00 0.00 C ATOM 510 C ARG A 48 6.163 -0.812 4.989 1.00 0.00 C ATOM 511 O ARG A 48 6.435 0.322 4.597 1.00 0.00 O ATOM 512 CB ARG A 48 3.900 -1.447 5.824 1.00 0.00 C ATOM 513 CG ARG A 48 3.867 -0.060 6.468 1.00 0.00 C ATOM 514 CD ARG A 48 2.432 0.455 6.593 1.00 0.00 C ATOM 515 NE ARG A 48 1.760 0.400 5.274 1.00 0.00 N ATOM 516 CZ ARG A 48 1.879 1.350 4.323 1.00 0.00 C ATOM 517 NH1 ARG A 48 2.647 2.439 4.538 1.00 0.00 N ATOM 518 NH2 ARG A 48 1.234 1.198 3.182 1.00 0.00 N ATOM 0 H ARG A 48 4.472 -3.531 4.591 1.00 0.00 H new ATOM 0 HA ARG A 48 4.367 -0.906 3.800 1.00 0.00 H new ATOM 0 HB2 ARG A 48 2.894 -1.734 5.518 1.00 0.00 H new ATOM 0 HB3 ARG A 48 4.233 -2.184 6.555 1.00 0.00 H new ATOM 0 HG2 ARG A 48 4.329 -0.103 7.455 1.00 0.00 H new ATOM 0 HG3 ARG A 48 4.456 0.636 5.870 1.00 0.00 H new ATOM 0 HD2 ARG A 48 1.882 -0.147 7.316 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.435 1.479 6.967 1.00 0.00 H new ATOM 0 HE ARG A 48 1.170 -0.407 5.072 1.00 0.00 H new ATOM 0 HH11 ARG A 48 3.142 2.547 5.423 1.00 0.00 H new ATOM 0 HH12 ARG A 48 2.733 3.153 3.815 1.00 0.00 H new ATOM 0 HH21 ARG A 48 0.656 0.372 3.029 1.00 0.00 H new ATOM 0 HH22 ARG A 48 1.313 1.907 2.453 1.00 0.00 H new ATOM 528 N MET A 49 6.956 -1.555 5.748 1.00 0.00 N ATOM 529 CA MET A 49 8.252 -1.061 6.183 1.00 0.00 C ATOM 530 C MET A 49 9.172 -0.808 4.989 1.00 0.00 C ATOM 531 O MET A 49 9.890 0.191 4.953 1.00 0.00 O ATOM 532 CB MET A 49 8.899 -2.084 7.120 1.00 0.00 C ATOM 533 CG MET A 49 8.962 -1.554 8.552 1.00 0.00 C ATOM 534 SD MET A 49 9.099 -2.913 9.702 1.00 0.00 S ATOM 535 CE MET A 49 8.418 -2.149 11.166 1.00 0.00 C ATOM 0 H MET A 49 6.726 -2.494 6.073 1.00 0.00 H new ATOM 0 HA MET A 49 8.103 -0.117 6.708 1.00 0.00 H new ATOM 0 HB2 MET A 49 8.330 -3.014 7.097 1.00 0.00 H new ATOM 0 HB3 MET A 49 9.905 -2.317 6.770 1.00 0.00 H new ATOM 0 HG2 MET A 49 9.815 -0.885 8.664 1.00 0.00 H new ATOM 0 HG3 MET A 49 8.068 -0.970 8.772 1.00 0.00 H new ATOM 0 HE1 MET A 49 8.428 -2.865 11.988 1.00 0.00 H new ATOM 0 HE2 MET A 49 9.017 -1.279 11.435 1.00 0.00 H new ATOM 0 HE3 MET A 49 7.392 -1.836 10.970 1.00 0.00 H new ATOM 543 N ASN A 50 9.123 -1.730 4.037 1.00 0.00 N ATOM 544 CA ASN A 50 9.944 -1.619 2.843 1.00 0.00 C ATOM 545 C ASN A 50 9.493 -0.404 2.032 1.00 0.00 C ATOM 546 O ASN A 50 10.321 0.349 1.521 1.00 0.00 O ATOM 547 CB ASN A 50 9.800 -2.859 1.959 1.00 0.00 C ATOM 548 CG ASN A 50 10.675 -4.003 2.474 1.00 0.00 C ATOM 549 OD1 ASN A 50 11.678 -3.801 3.140 1.00 0.00 O ATOM 550 ND2 ASN A 50 10.244 -5.213 2.127 1.00 0.00 N ATOM 0 H ASN A 50 8.527 -2.557 4.069 1.00 0.00 H new ATOM 0 HA ASN A 50 10.983 -1.518 3.155 1.00 0.00 H new ATOM 0 HB2 ASN A 50 8.757 -3.175 1.937 1.00 0.00 H new ATOM 0 HB3 ASN A 50 10.081 -2.614 0.935 1.00 0.00 H new ATOM 0 HD21 ASN A 50 10.761 -6.042 2.420 1.00 0.00 H new ATOM 0 HD22 ASN A 50 9.396 -5.312 1.568 1.00 0.00 H new ATOM 556 N MET A 51 8.180 -0.250 1.936 1.00 0.00 N ATOM 557 CA MET A 51 7.609 0.861 1.194 1.00 0.00 C ATOM 558 C MET A 51 8.020 2.200 1.809 1.00 0.00 C ATOM 559 O MET A 51 8.591 3.052 1.128 1.00 0.00 O ATOM 560 CB MET A 51 6.083 0.745 1.196 1.00 0.00 C ATOM 561 CG MET A 51 5.622 -0.438 0.342 1.00 0.00 C ATOM 562 SD MET A 51 4.403 -1.393 1.230 1.00 0.00 S ATOM 563 CE MET A 51 2.983 -0.325 1.051 1.00 0.00 C ATOM 0 H MET A 51 7.496 -0.876 2.360 1.00 0.00 H new ATOM 0 HA MET A 51 7.984 0.822 0.171 1.00 0.00 H new ATOM 0 HB2 MET A 51 5.725 0.621 2.218 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.644 1.667 0.814 1.00 0.00 H new ATOM 0 HG2 MET A 51 5.201 -0.077 -0.596 1.00 0.00 H new ATOM 0 HG3 MET A 51 6.475 -1.068 0.088 1.00 0.00 H new ATOM 0 HE1 MET A 51 2.075 -0.886 1.274 1.00 0.00 H new ATOM 0 HE2 MET A 51 3.070 0.514 1.741 1.00 0.00 H new ATOM 0 HE3 MET A 51 2.936 0.050 0.028 1.00 0.00 H new ATOM 571 N MET A 52 7.714 2.346 3.090 1.00 0.00 N ATOM 572 CA MET A 52 8.045 3.567 3.804 1.00 0.00 C ATOM 573 C MET A 52 9.556 3.802 3.818 1.00 0.00 C ATOM 574 O MET A 52 10.015 4.894 4.149 1.00 0.00 O ATOM 575 CB MET A 52 7.530 3.474 5.241 1.00 0.00 C ATOM 576 CG MET A 52 6.007 3.322 5.270 1.00 0.00 C ATOM 577 SD MET A 52 5.244 4.657 4.368 1.00 0.00 S ATOM 578 CE MET A 52 5.003 3.867 2.785 1.00 0.00 C ATOM 0 H MET A 52 7.240 1.639 3.652 1.00 0.00 H new ATOM 0 HA MET A 52 7.571 4.404 3.292 1.00 0.00 H new ATOM 0 HB2 MET A 52 7.993 2.624 5.743 1.00 0.00 H new ATOM 0 HB3 MET A 52 7.820 4.368 5.794 1.00 0.00 H new ATOM 0 HG2 MET A 52 5.720 2.366 4.832 1.00 0.00 H new ATOM 0 HG3 MET A 52 5.653 3.320 6.301 1.00 0.00 H new ATOM 0 HE1 MET A 52 4.146 4.315 2.281 1.00 0.00 H new ATOM 0 HE2 MET A 52 5.895 4.000 2.172 1.00 0.00 H new ATOM 0 HE3 MET A 52 4.821 2.803 2.934 1.00 0.00 H new ATOM 586 N ARG A 53 10.288 2.760 3.453 1.00 0.00 N ATOM 587 CA ARG A 53 11.738 2.840 3.418 1.00 0.00 C ATOM 588 C ARG A 53 12.197 3.665 2.213 1.00 0.00 C ATOM 589 O ARG A 53 13.032 4.558 2.350 1.00 0.00 O ATOM 590 CB ARG A 53 12.365 1.446 3.339 1.00 0.00 C ATOM 591 CG ARG A 53 13.423 1.257 4.430 1.00 0.00 C ATOM 592 CD ARG A 53 13.703 -0.228 4.671 1.00 0.00 C ATOM 593 NE ARG A 53 14.709 -0.384 5.745 1.00 0.00 N ATOM 594 CZ ARG A 53 15.110 -1.574 6.240 1.00 0.00 C ATOM 595 NH1 ARG A 53 14.592 -2.725 5.757 1.00 0.00 N ATOM 596 NH2 ARG A 53 16.014 -1.597 7.199 1.00 0.00 N ATOM 0 H ARG A 53 9.904 1.856 3.179 1.00 0.00 H new ATOM 0 HA ARG A 53 12.064 3.323 4.339 1.00 0.00 H new ATOM 0 HB2 ARG A 53 11.589 0.688 3.445 1.00 0.00 H new ATOM 0 HB3 ARG A 53 12.819 1.303 2.358 1.00 0.00 H new ATOM 0 HG2 ARG A 53 14.344 1.762 4.140 1.00 0.00 H new ATOM 0 HG3 ARG A 53 13.083 1.722 5.356 1.00 0.00 H new ATOM 0 HD2 ARG A 53 12.781 -0.740 4.947 1.00 0.00 H new ATOM 0 HD3 ARG A 53 14.063 -0.693 3.753 1.00 0.00 H new ATOM 0 HE ARG A 53 15.126 0.461 6.136 1.00 0.00 H new ATOM 0 HH11 ARG A 53 13.894 -2.698 5.014 1.00 0.00 H new ATOM 0 HH12 ARG A 53 14.899 -3.621 6.135 1.00 0.00 H new ATOM 0 HH21 ARG A 53 16.400 -0.723 7.557 1.00 0.00 H new ATOM 0 HH22 ARG A 53 16.327 -2.488 7.583 1.00 0.00 H new ATOM 606 N LYS A 54 11.630 3.338 1.062 1.00 0.00 N ATOM 607 CA LYS A 54 11.970 4.039 -0.165 1.00 0.00 C ATOM 608 C LYS A 54 11.027 5.230 -0.345 1.00 0.00 C ATOM 609 O LYS A 54 11.468 6.334 -0.663 1.00 0.00 O ATOM 610 CB LYS A 54 11.971 3.072 -1.350 1.00 0.00 C ATOM 611 CG LYS A 54 13.242 2.219 -1.361 1.00 0.00 C ATOM 612 CD LYS A 54 14.458 3.054 -1.771 1.00 0.00 C ATOM 613 CE LYS A 54 15.086 2.512 -3.057 1.00 0.00 C ATOM 614 NZ LYS A 54 14.188 2.747 -4.210 1.00 0.00 N ATOM 0 H LYS A 54 10.937 2.597 0.952 1.00 0.00 H new ATOM 0 HA LYS A 54 12.982 4.439 -0.108 1.00 0.00 H new ATOM 0 HB2 LYS A 54 11.095 2.425 -1.297 1.00 0.00 H new ATOM 0 HB3 LYS A 54 11.897 3.633 -2.282 1.00 0.00 H new ATOM 0 HG2 LYS A 54 13.406 1.792 -0.372 1.00 0.00 H new ATOM 0 HG3 LYS A 54 13.119 1.385 -2.052 1.00 0.00 H new ATOM 0 HD2 LYS A 54 14.159 4.092 -1.917 1.00 0.00 H new ATOM 0 HD3 LYS A 54 15.197 3.045 -0.969 1.00 0.00 H new ATOM 0 HE2 LYS A 54 16.047 2.996 -3.232 1.00 0.00 H new ATOM 0 HE3 LYS A 54 15.281 1.445 -2.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 14.643 2.404 -5.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 13.294 2.237 -4.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 13.996 3.765 -4.298 1.00 0.00 H new ATOM 623 N LEU A 55 9.745 4.966 -0.134 1.00 0.00 N ATOM 624 CA LEU A 55 8.737 6.004 -0.269 1.00 0.00 C ATOM 625 C LEU A 55 8.990 7.095 0.773 1.00 0.00 C ATOM 626 O LEU A 55 9.208 8.254 0.422 1.00 0.00 O ATOM 627 CB LEU A 55 7.333 5.399 -0.196 1.00 0.00 C ATOM 628 CG LEU A 55 6.892 4.580 -1.412 1.00 0.00 C ATOM 629 CD1 LEU A 55 6.279 3.247 -0.982 1.00 0.00 C ATOM 630 CD2 LEU A 55 5.943 5.388 -2.301 1.00 0.00 C ATOM 0 H LEU A 55 9.382 4.050 0.129 1.00 0.00 H new ATOM 0 HA LEU A 55 8.806 6.477 -1.249 1.00 0.00 H new ATOM 0 HB2 LEU A 55 7.279 4.761 0.686 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.617 6.208 -0.048 1.00 0.00 H new ATOM 0 HG LEU A 55 7.775 4.350 -2.008 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.974 2.685 -1.865 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.016 2.671 -0.422 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.409 3.433 -0.352 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.644 4.784 -3.158 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.059 5.668 -1.729 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.449 6.288 -2.650 1.00 0.00 H new ATOM 641 N GLN A 56 8.954 6.686 2.032 1.00 0.00 N ATOM 642 CA GLN A 56 9.177 7.615 3.127 1.00 0.00 C ATOM 643 C GLN A 56 7.881 8.351 3.470 1.00 0.00 C ATOM 644 O GLN A 56 7.901 9.547 3.760 1.00 0.00 O ATOM 645 CB GLN A 56 10.297 8.601 2.791 1.00 0.00 C ATOM 646 CG GLN A 56 11.466 7.890 2.107 1.00 0.00 C ATOM 647 CD GLN A 56 12.774 8.655 2.320 1.00 0.00 C ATOM 648 OE1 GLN A 56 12.789 9.842 2.599 1.00 0.00 O ATOM 649 NE2 GLN A 56 13.867 7.910 2.174 1.00 0.00 N ATOM 0 H GLN A 56 8.774 5.724 2.319 1.00 0.00 H new ATOM 0 HA GLN A 56 9.491 7.046 4.002 1.00 0.00 H new ATOM 0 HB2 GLN A 56 9.912 9.386 2.139 1.00 0.00 H new ATOM 0 HB3 GLN A 56 10.645 9.086 3.703 1.00 0.00 H new ATOM 0 HG2 GLN A 56 11.563 6.879 2.503 1.00 0.00 H new ATOM 0 HG3 GLN A 56 11.265 7.796 1.040 1.00 0.00 H new ATOM 0 HE21 GLN A 56 13.782 6.921 1.940 1.00 0.00 H new ATOM 0 HE22 GLN A 56 14.789 8.328 2.297 1.00 0.00 H new ATOM 656 N VAL A 57 6.785 7.610 3.425 1.00 0.00 N ATOM 657 CA VAL A 57 5.482 8.178 3.727 1.00 0.00 C ATOM 658 C VAL A 57 5.173 7.974 5.212 1.00 0.00 C ATOM 659 O VAL A 57 6.060 8.087 6.055 1.00 0.00 O ATOM 660 CB VAL A 57 4.421 7.574 2.807 1.00 0.00 C ATOM 661 CG1 VAL A 57 3.249 8.538 2.612 1.00 0.00 C ATOM 662 CG2 VAL A 57 5.027 7.171 1.460 1.00 0.00 C ATOM 0 H VAL A 57 6.772 6.619 3.184 1.00 0.00 H new ATOM 0 HA VAL A 57 5.481 9.252 3.539 1.00 0.00 H new ATOM 0 HB VAL A 57 4.038 6.673 3.286 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.509 8.083 1.953 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.791 8.754 3.577 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.610 9.465 2.166 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.251 6.744 0.825 1.00 0.00 H new ATOM 0 HG22 VAL A 57 5.451 8.050 0.974 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.812 6.432 1.621 1.00 0.00 H new ATOM 672 N HIS A 58 3.912 7.675 5.485 1.00 0.00 N ATOM 673 CA HIS A 58 3.475 7.453 6.852 1.00 0.00 C ATOM 674 C HIS A 58 3.002 6.008 7.012 1.00 0.00 C ATOM 675 O HIS A 58 3.675 5.197 7.647 1.00 0.00 O ATOM 676 CB HIS A 58 2.407 8.474 7.254 1.00 0.00 C ATOM 677 CG HIS A 58 2.647 9.116 8.599 1.00 0.00 C ATOM 678 ND1 HIS A 58 1.876 8.832 9.714 1.00 0.00 N ATOM 679 CD2 HIS A 58 3.578 10.028 8.999 1.00 0.00 C ATOM 680 CE1 HIS A 58 2.331 9.547 10.731 1.00 0.00 C ATOM 681 NE2 HIS A 58 3.385 10.289 10.286 1.00 0.00 N ATOM 0 H HIS A 58 3.179 7.581 4.782 1.00 0.00 H new ATOM 0 HA HIS A 58 4.313 7.602 7.533 1.00 0.00 H new ATOM 0 HB2 HIS A 58 2.360 9.254 6.494 1.00 0.00 H new ATOM 0 HB3 HIS A 58 1.435 7.982 7.266 1.00 0.00 H new ATOM 0 HD2 HIS A 58 4.343 10.464 8.374 1.00 0.00 H new ATOM 0 HE1 HIS A 58 1.937 9.543 11.736 1.00 0.00 H new ATOM 0 HE2 HIS A 58 3.935 10.938 10.849 1.00 0.00 H new ATOM 688 N LYS A 59 1.847 5.727 6.425 1.00 0.00 N ATOM 689 CA LYS A 59 1.276 4.393 6.494 1.00 0.00 C ATOM 690 C LYS A 59 0.541 4.089 5.187 1.00 0.00 C ATOM 691 O LYS A 59 0.901 4.612 4.132 1.00 0.00 O ATOM 692 CB LYS A 59 0.400 4.249 7.740 1.00 0.00 C ATOM 693 CG LYS A 59 0.632 2.898 8.420 1.00 0.00 C ATOM 694 CD LYS A 59 -0.211 2.771 9.689 1.00 0.00 C ATOM 695 CE LYS A 59 -0.024 1.398 10.338 1.00 0.00 C ATOM 696 NZ LYS A 59 1.053 1.447 11.353 1.00 0.00 N ATOM 0 H LYS A 59 1.291 6.402 5.899 1.00 0.00 H new ATOM 0 HA LYS A 59 2.063 3.647 6.598 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.621 5.055 8.440 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.650 4.346 7.464 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.381 2.092 7.730 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.688 2.788 8.668 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.069 3.552 10.396 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.263 2.922 9.447 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.957 1.079 10.804 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.220 0.659 9.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.167 0.507 11.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.945 1.730 10.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.805 2.138 12.090 1.00 0.00 H new ATOM 705 N VAL A 60 -0.475 3.245 5.299 1.00 0.00 N ATOM 706 CA VAL A 60 -1.263 2.866 4.138 1.00 0.00 C ATOM 707 C VAL A 60 -2.120 4.054 3.700 1.00 0.00 C ATOM 708 O VAL A 60 -2.324 4.271 2.504 1.00 0.00 O ATOM 709 CB VAL A 60 -2.089 1.617 4.453 1.00 0.00 C ATOM 710 CG1 VAL A 60 -2.837 1.127 3.212 1.00 0.00 C ATOM 711 CG2 VAL A 60 -1.208 0.510 5.035 1.00 0.00 C ATOM 0 H VAL A 60 -0.770 2.814 6.175 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.613 2.608 3.302 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.830 1.886 5.206 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.416 0.238 3.463 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.508 1.910 2.859 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.120 0.883 2.428 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.819 -0.366 5.250 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.434 0.245 4.315 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.742 0.862 5.955 1.00 0.00 H new ATOM 721 N THR A 61 -2.600 4.795 4.688 1.00 0.00 N ATOM 722 CA THR A 61 -3.431 5.956 4.417 1.00 0.00 C ATOM 723 C THR A 61 -2.627 7.026 3.678 1.00 0.00 C ATOM 724 O THR A 61 -2.996 7.437 2.580 1.00 0.00 O ATOM 725 CB THR A 61 -4.010 6.442 5.748 1.00 0.00 C ATOM 726 OG1 THR A 61 -4.988 5.459 6.080 1.00 0.00 O ATOM 727 CG2 THR A 61 -4.815 7.734 5.599 1.00 0.00 C ATOM 0 H THR A 61 -2.429 4.614 5.677 1.00 0.00 H new ATOM 0 HA THR A 61 -4.261 5.704 3.757 1.00 0.00 H new ATOM 0 HB THR A 61 -3.200 6.599 6.461 1.00 0.00 H new ATOM 0 HG1 THR A 61 -5.413 5.694 6.931 1.00 0.00 H new ATOM 0 HG21 THR A 61 -5.203 8.035 6.572 1.00 0.00 H new ATOM 0 HG22 THR A 61 -4.171 8.521 5.206 1.00 0.00 H new ATOM 0 HG23 THR A 61 -5.645 7.568 4.913 1.00 0.00 H new ATOM 735 N GLU A 62 -1.543 7.450 4.311 1.00 0.00 N ATOM 736 CA GLU A 62 -0.683 8.466 3.727 1.00 0.00 C ATOM 737 C GLU A 62 -0.102 7.970 2.401 1.00 0.00 C ATOM 738 O GLU A 62 -0.123 8.687 1.403 1.00 0.00 O ATOM 739 CB GLU A 62 0.429 8.868 4.697 1.00 0.00 C ATOM 740 CG GLU A 62 0.410 10.374 4.959 1.00 0.00 C ATOM 741 CD GLU A 62 1.161 11.131 3.860 1.00 0.00 C ATOM 742 OE1 GLU A 62 2.299 11.569 4.077 1.00 0.00 O ATOM 743 OE2 GLU A 62 0.519 11.254 2.749 1.00 0.00 O ATOM 0 H GLU A 62 -1.240 7.108 5.223 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.284 9.353 3.529 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.308 8.330 5.637 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.397 8.579 4.287 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.621 10.725 5.008 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.865 10.584 5.927 1.00 0.00 H new ATOM 749 N LEU A 63 0.406 6.746 2.436 1.00 0.00 N ATOM 750 CA LEU A 63 0.993 6.147 1.250 1.00 0.00 C ATOM 751 C LEU A 63 -0.034 6.160 0.115 1.00 0.00 C ATOM 752 O LEU A 63 0.319 6.365 -1.045 1.00 0.00 O ATOM 753 CB LEU A 63 1.539 4.753 1.568 1.00 0.00 C ATOM 754 CG LEU A 63 2.192 4.006 0.403 1.00 0.00 C ATOM 755 CD1 LEU A 63 3.206 4.896 -0.319 1.00 0.00 C ATOM 756 CD2 LEU A 63 2.816 2.692 0.876 1.00 0.00 C ATOM 0 H LEU A 63 0.423 6.154 3.266 1.00 0.00 H new ATOM 0 HA LEU A 63 1.849 6.731 0.913 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.271 4.846 2.370 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.721 4.143 1.952 1.00 0.00 H new ATOM 0 HG LEU A 63 1.416 3.752 -0.319 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.656 4.341 -1.143 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.701 5.780 -0.710 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.984 5.202 0.380 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.273 2.181 0.029 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.577 2.901 1.628 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.043 2.057 1.309 1.00 0.00 H new ATOM 767 N LEU A 64 -1.286 5.938 0.490 1.00 0.00 N ATOM 768 CA LEU A 64 -2.365 5.922 -0.482 1.00 0.00 C ATOM 769 C LEU A 64 -2.438 7.281 -1.179 1.00 0.00 C ATOM 770 O LEU A 64 -2.718 7.355 -2.375 1.00 0.00 O ATOM 771 CB LEU A 64 -3.678 5.502 0.183 1.00 0.00 C ATOM 772 CG LEU A 64 -3.969 4.000 0.203 1.00 0.00 C ATOM 773 CD1 LEU A 64 -2.689 3.191 -0.023 1.00 0.00 C ATOM 774 CD2 LEU A 64 -4.683 3.596 1.495 1.00 0.00 C ATOM 0 H LEU A 64 -1.576 5.768 1.453 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.171 5.177 -1.254 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.674 5.865 1.211 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.499 6.004 -0.329 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.644 3.772 -0.622 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.923 2.127 -0.004 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.260 3.451 -0.991 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.971 3.418 0.765 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.878 2.524 1.483 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.053 3.841 2.350 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.627 4.135 1.573 1.00 0.00 H new ATOM 785 N ASN A 65 -2.181 8.324 -0.404 1.00 0.00 N ATOM 786 CA ASN A 65 -2.214 9.677 -0.932 1.00 0.00 C ATOM 787 C ASN A 65 -0.954 9.925 -1.765 1.00 0.00 C ATOM 788 O ASN A 65 -0.887 10.891 -2.524 1.00 0.00 O ATOM 789 CB ASN A 65 -2.245 10.710 0.197 1.00 0.00 C ATOM 790 CG ASN A 65 -2.183 12.133 -0.359 1.00 0.00 C ATOM 791 OD1 ASN A 65 -3.002 12.548 -1.163 1.00 0.00 O ATOM 792 ND2 ASN A 65 -1.170 12.854 0.111 1.00 0.00 N ATOM 0 H ASN A 65 -1.949 8.259 0.587 1.00 0.00 H new ATOM 0 HA ASN A 65 -3.114 9.780 -1.539 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -3.155 10.585 0.784 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.405 10.542 0.871 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -1.042 13.817 -0.200 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -0.521 12.444 0.783 1.00 0.00 H new ATOM 798 N CYS A 66 0.014 9.037 -1.593 1.00 0.00 N ATOM 799 CA CYS A 66 1.269 9.148 -2.318 1.00 0.00 C ATOM 800 C CYS A 66 1.068 8.558 -3.715 1.00 0.00 C ATOM 801 O CYS A 66 1.289 9.235 -4.718 1.00 0.00 O ATOM 802 CB CYS A 66 2.417 8.468 -1.570 1.00 0.00 C ATOM 803 SG CYS A 66 3.543 9.731 -0.872 1.00 0.00 S ATOM 0 H CYS A 66 -0.045 8.237 -0.962 1.00 0.00 H new ATOM 0 HA CYS A 66 1.552 10.197 -2.404 1.00 0.00 H new ATOM 0 HB2 CYS A 66 2.021 7.841 -0.771 1.00 0.00 H new ATOM 0 HB3 CYS A 66 2.966 7.813 -2.247 1.00 0.00 H new ATOM 0 HG CYS A 66 4.750 9.252 -0.815 1.00 0.00 H new ATOM 808 N ALA A 67 0.654 7.299 -3.737 1.00 0.00 N ATOM 809 CA ALA A 67 0.423 6.609 -4.995 1.00 0.00 C ATOM 810 C ALA A 67 -0.751 7.265 -5.722 1.00 0.00 C ATOM 811 O ALA A 67 -0.635 7.633 -6.891 1.00 0.00 O ATOM 812 CB ALA A 67 0.183 5.121 -4.726 1.00 0.00 C ATOM 0 H ALA A 67 0.473 6.739 -2.904 1.00 0.00 H new ATOM 0 HA ALA A 67 1.297 6.687 -5.641 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.010 4.604 -5.670 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.057 4.695 -4.234 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -0.689 5.004 -4.083 1.00 0.00 H new ATOM 818 N ARG A 68 -1.856 7.393 -5.002 1.00 0.00 N ATOM 819 CA ARG A 68 -3.051 7.999 -5.565 1.00 0.00 C ATOM 820 C ARG A 68 -2.775 9.453 -5.956 1.00 0.00 C ATOM 821 O ARG A 68 -2.970 9.838 -7.108 1.00 0.00 O ATOM 822 CB ARG A 68 -4.212 7.958 -4.569 1.00 0.00 C ATOM 823 CG ARG A 68 -5.513 8.426 -5.224 1.00 0.00 C ATOM 824 CD ARG A 68 -6.034 7.384 -6.216 1.00 0.00 C ATOM 825 NE ARG A 68 -6.742 6.306 -5.492 1.00 0.00 N ATOM 826 CZ ARG A 68 -7.526 5.382 -6.089 1.00 0.00 C ATOM 827 NH1 ARG A 68 -7.708 5.398 -7.427 1.00 0.00 N ATOM 828 NH2 ARG A 68 -8.111 4.462 -5.345 1.00 0.00 N ATOM 0 H ARG A 68 -1.949 7.087 -4.033 1.00 0.00 H new ATOM 0 HA ARG A 68 -3.327 7.426 -6.451 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -4.336 6.943 -4.191 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -3.983 8.592 -3.712 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -6.265 8.610 -4.457 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -5.345 9.372 -5.739 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.707 7.856 -6.932 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.204 6.966 -6.787 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.631 6.257 -4.479 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -7.252 6.112 -7.995 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -8.302 4.696 -7.869 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.968 4.456 -4.335 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -8.706 3.757 -5.780 1.00 0.00 H new ATOM 838 N ARG A 69 -2.326 10.221 -4.974 1.00 0.00 N ATOM 839 CA ARG A 69 -2.021 11.624 -5.200 1.00 0.00 C ATOM 840 C ARG A 69 -3.262 12.361 -5.709 1.00 0.00 C ATOM 841 O ARG A 69 -3.202 13.067 -6.714 1.00 0.00 O ATOM 842 CB ARG A 69 -0.891 11.784 -6.218 1.00 0.00 C ATOM 843 CG ARG A 69 0.466 11.890 -5.517 1.00 0.00 C ATOM 844 CD ARG A 69 1.100 13.262 -5.754 1.00 0.00 C ATOM 845 NE ARG A 69 1.583 13.825 -4.473 1.00 0.00 N ATOM 846 CZ ARG A 69 1.723 15.145 -4.232 1.00 0.00 C ATOM 847 NH1 ARG A 69 1.419 16.052 -5.184 1.00 0.00 N ATOM 848 NH2 ARG A 69 2.164 15.537 -3.049 1.00 0.00 N ATOM 0 H ARG A 69 -2.166 9.898 -4.020 1.00 0.00 H new ATOM 0 HA ARG A 69 -1.703 12.052 -4.249 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -0.887 10.933 -6.899 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -1.063 12.675 -6.822 1.00 0.00 H new ATOM 0 HG2 ARG A 69 0.341 11.723 -4.447 1.00 0.00 H new ATOM 0 HG3 ARG A 69 1.132 11.109 -5.885 1.00 0.00 H new ATOM 0 HD2 ARG A 69 1.928 13.172 -6.457 1.00 0.00 H new ATOM 0 HD3 ARG A 69 0.371 13.936 -6.205 1.00 0.00 H new ATOM 0 HE ARG A 69 1.825 13.174 -3.726 1.00 0.00 H new ATOM 0 HH11 ARG A 69 1.080 15.742 -6.095 1.00 0.00 H new ATOM 0 HH12 ARG A 69 1.528 17.048 -4.993 1.00 0.00 H new ATOM 0 HH21 ARG A 69 2.393 14.845 -2.335 1.00 0.00 H new ATOM 0 HH22 ARG A 69 2.276 16.531 -2.850 1.00 0.00 H new ATOM 858 N MET A 70 -4.359 12.173 -4.990 1.00 0.00 N ATOM 859 CA MET A 70 -5.612 12.812 -5.355 1.00 0.00 C ATOM 860 C MET A 70 -5.923 13.983 -4.421 1.00 0.00 C ATOM 861 O MET A 70 -5.886 15.139 -4.837 1.00 0.00 O ATOM 862 CB MET A 70 -6.746 11.788 -5.285 1.00 0.00 C ATOM 863 CG MET A 70 -7.341 11.531 -6.671 1.00 0.00 C ATOM 864 SD MET A 70 -6.100 10.835 -7.747 1.00 0.00 S ATOM 865 CE MET A 70 -6.240 11.943 -9.140 1.00 0.00 C ATOM 0 H MET A 70 -4.406 11.587 -4.156 1.00 0.00 H new ATOM 0 HA MET A 70 -5.520 13.197 -6.371 1.00 0.00 H new ATOM 0 HB2 MET A 70 -6.371 10.853 -4.868 1.00 0.00 H new ATOM 0 HB3 MET A 70 -7.525 12.148 -4.612 1.00 0.00 H new ATOM 0 HG2 MET A 70 -8.189 10.850 -6.592 1.00 0.00 H new ATOM 0 HG3 MET A 70 -7.719 12.463 -7.092 1.00 0.00 H new ATOM 0 HE1 MET A 70 -5.528 11.649 -9.912 1.00 0.00 H new ATOM 0 HE2 MET A 70 -7.252 11.896 -9.542 1.00 0.00 H new ATOM 0 HE3 MET A 70 -6.025 12.962 -8.818 1.00 0.00 H new ATOM 873 N ARG A 71 -6.222 13.642 -3.175 1.00 0.00 N ATOM 874 CA ARG A 71 -6.540 14.652 -2.179 1.00 0.00 C ATOM 875 C ARG A 71 -6.143 14.164 -0.785 1.00 0.00 C ATOM 876 O ARG A 71 -5.316 14.784 -0.119 1.00 0.00 O ATOM 877 CB ARG A 71 -8.032 14.986 -2.191 1.00 0.00 C ATOM 878 CG ARG A 71 -8.270 16.447 -1.800 1.00 0.00 C ATOM 879 CD ARG A 71 -9.422 16.567 -0.801 1.00 0.00 C ATOM 880 NE ARG A 71 -8.893 16.595 0.581 1.00 0.00 N ATOM 881 CZ ARG A 71 -9.659 16.500 1.688 1.00 0.00 C ATOM 882 NH1 ARG A 71 -10.999 16.367 1.583 1.00 0.00 N ATOM 883 NH2 ARG A 71 -9.081 16.537 2.874 1.00 0.00 N ATOM 0 H ARG A 71 -6.251 12.681 -2.833 1.00 0.00 H new ATOM 0 HA ARG A 71 -5.977 15.552 -2.426 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -8.442 14.800 -3.184 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -8.561 14.330 -1.500 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.362 16.863 -1.364 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.494 17.034 -2.691 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.993 17.474 -0.999 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -10.107 15.727 -0.920 1.00 0.00 H new ATOM 0 HE ARG A 71 -7.885 16.692 0.705 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -11.438 16.338 0.663 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -11.572 16.296 2.424 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -8.068 16.636 2.945 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -9.647 16.466 3.720 1.00 0.00 H new ATOM 893 N LEU A 72 -6.752 13.057 -0.385 1.00 0.00 N ATOM 894 CA LEU A 72 -6.473 12.479 0.919 1.00 0.00 C ATOM 895 C LEU A 72 -6.620 10.958 0.839 1.00 0.00 C ATOM 896 O LEU A 72 -5.628 10.233 0.856 1.00 0.00 O ATOM 897 CB LEU A 72 -7.351 13.127 1.990 1.00 0.00 C ATOM 898 CG LEU A 72 -6.647 13.506 3.295 1.00 0.00 C ATOM 899 CD1 LEU A 72 -5.765 12.361 3.796 1.00 0.00 C ATOM 900 CD2 LEU A 72 -5.859 14.808 3.133 1.00 0.00 C ATOM 0 H LEU A 72 -7.437 12.545 -0.941 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.445 12.685 1.216 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.800 14.026 1.568 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.167 12.443 2.226 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.408 13.681 4.055 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.277 12.657 4.724 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.380 11.479 3.975 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.009 12.129 3.046 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.368 15.056 4.074 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.107 14.684 2.353 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.540 15.613 2.856 1.00 0.00 H new ATOM 911 N ILE A 73 -7.869 10.520 0.754 1.00 0.00 N ATOM 912 CA ILE A 73 -8.159 9.099 0.672 1.00 0.00 C ATOM 913 C ILE A 73 -9.607 8.903 0.220 1.00 0.00 C ATOM 914 O ILE A 73 -10.331 8.081 0.780 1.00 0.00 O ATOM 915 CB ILE A 73 -7.830 8.407 1.997 1.00 0.00 C ATOM 916 CG1 ILE A 73 -7.955 6.888 1.869 1.00 0.00 C ATOM 917 CG2 ILE A 73 -8.694 8.959 3.133 1.00 0.00 C ATOM 918 CD1 ILE A 73 -7.053 6.177 2.879 1.00 0.00 C ATOM 0 H ILE A 73 -8.690 11.125 0.740 1.00 0.00 H new ATOM 0 HA ILE A 73 -7.524 8.624 -0.076 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.791 8.624 2.247 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -8.991 6.590 2.029 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.687 6.581 0.858 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -8.440 8.450 4.063 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -8.512 10.028 3.242 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -9.746 8.792 2.904 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -7.161 5.098 2.767 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.015 6.458 2.701 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -7.339 6.467 3.890 1.00 0.00 H new ATOM 929 N GLU A 74 -9.988 9.675 -0.788 1.00 0.00 N ATOM 930 CA GLU A 74 -11.337 9.598 -1.321 1.00 0.00 C ATOM 931 C GLU A 74 -11.301 9.508 -2.847 1.00 0.00 C ATOM 932 O GLU A 74 -12.090 10.159 -3.530 1.00 0.00 O ATOM 933 CB GLU A 74 -12.178 10.792 -0.861 1.00 0.00 C ATOM 934 CG GLU A 74 -13.387 10.329 -0.046 1.00 0.00 C ATOM 935 CD GLU A 74 -14.360 11.485 0.195 1.00 0.00 C ATOM 936 OE1 GLU A 74 -14.489 12.375 -0.659 1.00 0.00 O ATOM 937 OE2 GLU A 74 -14.997 11.438 1.316 1.00 0.00 O ATOM 0 H GLU A 74 -9.385 10.357 -1.249 1.00 0.00 H new ATOM 0 HA GLU A 74 -11.808 8.694 -0.935 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.565 11.463 -0.260 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -12.515 11.360 -1.728 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -13.898 9.523 -0.572 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -13.053 9.925 0.910 1.00 0.00 H new ATOM 943 N TYR A 75 -10.374 8.698 -3.338 1.00 0.00 N ATOM 944 CA TYR A 75 -10.225 8.514 -4.772 1.00 0.00 C ATOM 945 C TYR A 75 -11.589 8.418 -5.458 1.00 0.00 C ATOM 946 O TYR A 75 -11.806 9.028 -6.504 1.00 0.00 O ATOM 947 CB TYR A 75 -9.480 7.189 -4.953 1.00 0.00 C ATOM 948 CG TYR A 75 -10.272 5.964 -4.490 1.00 0.00 C ATOM 949 CD1 TYR A 75 -11.369 5.538 -5.209 1.00 0.00 C ATOM 950 CD2 TYR A 75 -9.887 5.284 -3.351 1.00 0.00 C ATOM 951 CE1 TYR A 75 -12.114 4.385 -4.775 1.00 0.00 C ATOM 952 CE2 TYR A 75 -10.632 4.131 -2.915 1.00 0.00 C ATOM 953 CZ TYR A 75 -11.709 3.739 -3.648 1.00 0.00 C ATOM 954 OH TYR A 75 -12.411 2.650 -3.237 1.00 0.00 O ATOM 0 H TYR A 75 -9.719 8.162 -2.769 1.00 0.00 H new ATOM 0 HA TYR A 75 -9.692 9.356 -5.213 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -9.225 7.068 -6.006 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -8.541 7.233 -4.400 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -11.670 6.070 -6.099 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -9.028 5.617 -2.788 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -12.974 4.041 -5.331 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -10.342 3.590 -2.026 1.00 0.00 H new ATOM 0 HH TYR A 75 -12.007 2.290 -2.420 1.00 0.00 H new TER 963 TYR A 75