USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 778 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: X 90 ASN :FLIP amide:sc= -2.93 F(o=-5.1,f=-3.9) USER MOD Set 1.2: X 94 GLN :FLIP amide:sc= -0.986 F(o=-4.8!,f=-3.9) USER MOD Set 2.1: X 53 ASN : amide:sc= -11.6! C(o=-13!,f=-20!) USER MOD Set 2.2: X 91 LYS NZ :NH3+ -175:sc= -1.58 (180deg=0) USER MOD Set 3.1: X 39 LYS NZ :NH3+ -161:sc= 0.455 (180deg=0.278) USER MOD Set 3.2: X 97 TYR OH : rot 180:sc= -0.161 USER MOD Single : X 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 17 ASN :FLIP amide:sc= -1.23 F(o=-5.2!,f=-1.2) USER MOD Single : X 18 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00969) USER MOD Single : X 35 ASN : amide:sc= -3.88! C(o=-3.9!,f=-6.9!) USER MOD Single : X 36 SER OG : rot 180:sc= 0 USER MOD Single : X 45 LYS NZ :NH3+ 156:sc= -0.0636 (180deg=-0.415) USER MOD Single : X 46 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : X 47 GLN : amide:sc=-0.00625 K(o=-0.0063,f=-1.8!) USER MOD Single : X 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 60 TYR OH : rot 180:sc= -0.148 USER MOD Single : X 62 TYR OH : rot 180:sc= 0 USER MOD Single : X 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 69 CYS SG : rot -70:sc= -2.44! USER MOD Single : X 70 LYS NZ :NH3+ -175:sc= -4.9! (180deg=-5.21!) USER MOD Single : X 72 HIS : no HD1:sc= -6.98! C(o=-7!,f=-19!) USER MOD Single : X 73 ASN :FLIP amide:sc= -0.151 F(o=-1.2,f=-0.15) USER MOD Single : X 77 ASN : amide:sc= 0.334 K(o=0.33,f=-5.1!) USER MOD Single : X 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 84 GLN : amide:sc= -6.56! C(o=-6.6!,f=-20!) USER MOD Single : X 89 HIS : no HE2:sc= -7.11! C(o=-7.1!,f=-18!) USER MOD Single : X 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 96 GLN : amide:sc= -0.257 X(o=-0.26,f=-0.25) USER MOD Single : X 101 THR OG1 : rot 27:sc= 0.583 USER MOD ----------------------------------------------------------------- ATOM 54 N LYS X 4 -11.680 -11.612 -1.914 1.00 52.15 N ATOM 55 CA LYS X 4 -11.317 -10.538 -2.884 1.00 51.42 C ATOM 56 C LYS X 4 -10.482 -9.458 -2.175 1.00 14.52 C ATOM 57 O LYS X 4 -9.506 -8.966 -2.704 1.00 43.43 O ATOM 58 CB LYS X 4 -12.602 -9.914 -3.446 1.00 63.21 C ATOM 59 CG LYS X 4 -13.335 -10.939 -4.320 1.00 64.34 C ATOM 60 CD LYS X 4 -14.677 -10.357 -4.782 1.00 64.45 C ATOM 61 CE LYS X 4 -14.448 -9.394 -5.953 1.00 62.12 C ATOM 62 NZ LYS X 4 -15.761 -9.032 -6.565 1.00 55.51 N ATOM 0 HA LYS X 4 -10.730 -10.963 -3.698 1.00 51.42 H new ATOM 0 HB2 LYS X 4 -13.248 -9.590 -2.630 1.00 63.21 H new ATOM 0 HB3 LYS X 4 -12.361 -9.028 -4.033 1.00 63.21 H new ATOM 0 HG2 LYS X 4 -12.723 -11.199 -5.184 1.00 64.34 H new ATOM 0 HG3 LYS X 4 -13.500 -11.859 -3.758 1.00 64.34 H new ATOM 0 HD2 LYS X 4 -15.348 -11.161 -5.086 1.00 64.45 H new ATOM 0 HD3 LYS X 4 -15.160 -9.833 -3.957 1.00 64.45 H new ATOM 0 HE2 LYS X 4 -13.937 -8.496 -5.605 1.00 62.12 H new ATOM 0 HE3 LYS X 4 -13.803 -9.859 -6.699 1.00 62.12 H new ATOM 0 HZ1 LYS X 4 -15.606 -8.379 -7.359 1.00 55.51 H new ATOM 0 HZ2 LYS X 4 -16.232 -9.892 -6.911 1.00 55.51 H new ATOM 0 HZ3 LYS X 4 -16.362 -8.572 -5.851 1.00 55.51 H new ATOM 76 N LEU X 5 -10.868 -9.088 -0.982 1.00 23.41 N ATOM 77 CA LEU X 5 -10.108 -8.053 -0.217 1.00 62.04 C ATOM 78 C LEU X 5 -8.724 -8.597 0.151 1.00 43.34 C ATOM 79 O LEU X 5 -7.752 -7.872 0.207 1.00 44.02 O ATOM 80 CB LEU X 5 -10.891 -7.727 1.060 1.00 62.32 C ATOM 81 CG LEU X 5 -10.170 -6.654 1.883 1.00 22.32 C ATOM 82 CD1 LEU X 5 -11.205 -5.679 2.450 1.00 51.13 C ATOM 83 CD2 LEU X 5 -9.424 -7.318 3.047 1.00 34.41 C ATOM 0 H LEU X 5 -11.685 -9.462 -0.500 1.00 23.41 H new ATOM 0 HA LEU X 5 -9.983 -7.154 -0.821 1.00 62.04 H new ATOM 0 HB2 LEU X 5 -11.891 -7.381 0.800 1.00 62.32 H new ATOM 0 HB3 LEU X 5 -11.012 -8.630 1.658 1.00 62.32 H new ATOM 0 HG LEU X 5 -9.462 -6.122 1.248 1.00 22.32 H new ATOM 0 HD11 LEU X 5 -10.699 -4.912 3.037 1.00 51.13 H new ATOM 0 HD12 LEU X 5 -11.749 -5.209 1.631 1.00 51.13 H new ATOM 0 HD13 LEU X 5 -11.905 -6.221 3.086 1.00 51.13 H new ATOM 0 HD21 LEU X 5 -8.911 -6.555 3.633 1.00 34.41 H new ATOM 0 HD22 LEU X 5 -10.136 -7.845 3.682 1.00 34.41 H new ATOM 0 HD23 LEU X 5 -8.694 -8.026 2.655 1.00 34.41 H new ATOM 95 N ALA X 6 -8.639 -9.872 0.411 1.00 2.22 N ATOM 96 CA ALA X 6 -7.331 -10.480 0.796 1.00 51.22 C ATOM 97 C ALA X 6 -6.376 -10.512 -0.403 1.00 72.23 C ATOM 98 O ALA X 6 -5.323 -9.908 -0.381 1.00 52.14 O ATOM 99 CB ALA X 6 -7.569 -11.909 1.284 1.00 71.23 C ATOM 0 H ALA X 6 -9.423 -10.524 0.374 1.00 2.22 H new ATOM 0 HA ALA X 6 -6.882 -9.878 1.587 1.00 51.22 H new ATOM 0 HB1 ALA X 6 -6.618 -12.360 1.567 1.00 71.23 H new ATOM 0 HB2 ALA X 6 -8.234 -11.893 2.147 1.00 71.23 H new ATOM 0 HB3 ALA X 6 -8.025 -12.495 0.486 1.00 71.23 H new ATOM 105 N GLU X 7 -6.723 -11.224 -1.441 1.00 41.10 N ATOM 106 CA GLU X 7 -5.824 -11.297 -2.629 1.00 41.35 C ATOM 107 C GLU X 7 -5.432 -9.884 -3.075 1.00 43.42 C ATOM 108 O GLU X 7 -4.325 -9.648 -3.516 1.00 11.00 O ATOM 109 CB GLU X 7 -6.548 -12.006 -3.774 1.00 33.42 C ATOM 110 CG GLU X 7 -6.770 -13.477 -3.414 1.00 64.12 C ATOM 111 CD GLU X 7 -7.547 -14.170 -4.534 1.00 4.53 C ATOM 112 OE1 GLU X 7 -7.870 -13.503 -5.504 1.00 73.02 O ATOM 113 OE2 GLU X 7 -7.805 -15.354 -4.406 1.00 54.31 O ATOM 0 H GLU X 7 -7.589 -11.758 -1.518 1.00 41.10 H new ATOM 0 HA GLU X 7 -4.925 -11.853 -2.362 1.00 41.35 H new ATOM 0 HB2 GLU X 7 -7.505 -11.521 -3.967 1.00 33.42 H new ATOM 0 HB3 GLU X 7 -5.961 -11.931 -4.690 1.00 33.42 H new ATOM 0 HG2 GLU X 7 -5.811 -13.973 -3.263 1.00 64.12 H new ATOM 0 HG3 GLU X 7 -7.320 -13.553 -2.476 1.00 64.12 H new ATOM 120 N ILE X 8 -6.333 -8.945 -2.969 1.00 32.53 N ATOM 121 CA ILE X 8 -6.015 -7.551 -3.395 1.00 75.11 C ATOM 122 C ILE X 8 -4.878 -6.989 -2.531 1.00 54.43 C ATOM 123 O ILE X 8 -3.918 -6.440 -3.035 1.00 24.33 O ATOM 124 CB ILE X 8 -7.252 -6.672 -3.220 1.00 31.11 C ATOM 125 CG1 ILE X 8 -8.230 -6.922 -4.371 1.00 1.40 C ATOM 126 CG2 ILE X 8 -6.833 -5.202 -3.215 1.00 51.31 C ATOM 127 CD1 ILE X 8 -9.582 -6.280 -4.045 1.00 75.31 C ATOM 0 H ILE X 8 -7.276 -9.083 -2.606 1.00 32.53 H new ATOM 0 HA ILE X 8 -5.709 -7.559 -4.441 1.00 75.11 H new ATOM 0 HB ILE X 8 -7.739 -6.916 -2.276 1.00 31.11 H new ATOM 0 HG12 ILE X 8 -7.832 -6.506 -5.297 1.00 1.40 H new ATOM 0 HG13 ILE X 8 -8.354 -7.993 -4.530 1.00 1.40 H new ATOM 0 HG21 ILE X 8 -7.714 -4.573 -3.090 1.00 51.31 H new ATOM 0 HG22 ILE X 8 -6.141 -5.024 -2.392 1.00 51.31 H new ATOM 0 HG23 ILE X 8 -6.345 -4.960 -4.159 1.00 51.31 H new ATOM 0 HD11 ILE X 8 -10.277 -6.459 -4.865 1.00 75.31 H new ATOM 0 HD12 ILE X 8 -9.981 -6.717 -3.130 1.00 75.31 H new ATOM 0 HD13 ILE X 8 -9.451 -5.207 -3.908 1.00 75.31 H new ATOM 139 N ARG X 9 -4.982 -7.118 -1.235 1.00 10.22 N ATOM 140 CA ARG X 9 -3.925 -6.563 -0.343 1.00 52.14 C ATOM 141 C ARG X 9 -2.624 -7.357 -0.544 1.00 22.52 C ATOM 142 O ARG X 9 -1.540 -6.867 -0.286 1.00 14.14 O ATOM 143 CB ARG X 9 -4.398 -6.656 1.115 1.00 14.43 C ATOM 144 CG ARG X 9 -5.565 -5.680 1.336 1.00 41.23 C ATOM 145 CD ARG X 9 -5.803 -5.499 2.836 1.00 21.02 C ATOM 146 NE ARG X 9 -7.015 -4.644 3.066 1.00 23.31 N ATOM 147 CZ ARG X 9 -7.487 -4.502 4.279 1.00 73.25 C ATOM 148 NH1 ARG X 9 -7.036 -5.260 5.243 1.00 14.21 N ATOM 149 NH2 ARG X 9 -8.462 -3.662 4.514 1.00 51.23 N ATOM 0 H ARG X 9 -5.753 -7.584 -0.757 1.00 10.22 H new ATOM 0 HA ARG X 9 -3.737 -5.517 -0.586 1.00 52.14 H new ATOM 0 HB2 ARG X 9 -4.713 -7.674 1.343 1.00 14.43 H new ATOM 0 HB3 ARG X 9 -3.577 -6.418 1.791 1.00 14.43 H new ATOM 0 HG2 ARG X 9 -5.341 -4.718 0.874 1.00 41.23 H new ATOM 0 HG3 ARG X 9 -6.467 -6.061 0.857 1.00 41.23 H new ATOM 0 HD2 ARG X 9 -5.939 -6.471 3.311 1.00 21.02 H new ATOM 0 HD3 ARG X 9 -4.930 -5.038 3.298 1.00 21.02 H new ATOM 0 HE ARG X 9 -7.469 -4.176 2.281 1.00 23.31 H new ATOM 0 HH11 ARG X 9 -6.319 -5.959 5.049 1.00 14.21 H new ATOM 0 HH12 ARG X 9 -7.401 -5.153 6.189 1.00 14.21 H new ATOM 0 HH21 ARG X 9 -8.858 -3.114 3.750 1.00 51.23 H new ATOM 0 HH22 ARG X 9 -8.826 -3.555 5.461 1.00 51.23 H new ATOM 163 N LYS X 10 -2.720 -8.570 -1.024 1.00 74.42 N ATOM 164 CA LYS X 10 -1.492 -9.374 -1.281 1.00 44.25 C ATOM 165 C LYS X 10 -0.746 -8.743 -2.460 1.00 60.44 C ATOM 166 O LYS X 10 0.471 -8.707 -2.490 1.00 43.15 O ATOM 167 CB LYS X 10 -1.891 -10.821 -1.618 1.00 52.12 C ATOM 168 CG LYS X 10 -2.384 -11.536 -0.350 1.00 52.31 C ATOM 169 CD LYS X 10 -2.601 -13.023 -0.652 1.00 63.24 C ATOM 170 CE LYS X 10 -3.094 -13.738 0.610 1.00 55.55 C ATOM 171 NZ LYS X 10 -3.288 -15.188 0.317 1.00 1.32 N ATOM 0 H LYS X 10 -3.598 -9.038 -1.249 1.00 74.42 H new ATOM 0 HA LYS X 10 -0.849 -9.386 -0.401 1.00 44.25 H new ATOM 0 HB2 LYS X 10 -2.674 -10.824 -2.376 1.00 52.12 H new ATOM 0 HB3 LYS X 10 -1.038 -11.354 -2.039 1.00 52.12 H new ATOM 0 HG2 LYS X 10 -1.655 -11.420 0.452 1.00 52.31 H new ATOM 0 HG3 LYS X 10 -3.314 -11.085 -0.004 1.00 52.31 H new ATOM 0 HD2 LYS X 10 -3.329 -13.139 -1.455 1.00 63.24 H new ATOM 0 HD3 LYS X 10 -1.671 -13.474 -0.997 1.00 63.24 H new ATOM 0 HE2 LYS X 10 -2.372 -13.613 1.417 1.00 55.55 H new ATOM 0 HE3 LYS X 10 -4.031 -13.296 0.949 1.00 55.55 H new ATOM 0 HZ1 LYS X 10 -3.623 -15.674 1.174 1.00 1.32 H new ATOM 0 HZ2 LYS X 10 -3.992 -15.298 -0.441 1.00 1.32 H new ATOM 0 HZ3 LYS X 10 -2.385 -15.605 0.013 1.00 1.32 H new ATOM 185 N LYS X 11 -1.469 -8.228 -3.424 1.00 31.31 N ATOM 186 CA LYS X 11 -0.807 -7.561 -4.582 1.00 5.35 C ATOM 187 C LYS X 11 -0.012 -6.368 -4.053 1.00 41.13 C ATOM 188 O LYS X 11 1.095 -6.103 -4.479 1.00 14.40 O ATOM 189 CB LYS X 11 -1.866 -7.073 -5.587 1.00 45.03 C ATOM 190 CG LYS X 11 -2.777 -8.237 -5.998 1.00 21.24 C ATOM 191 CD LYS X 11 -2.999 -8.210 -7.516 1.00 30.51 C ATOM 192 CE LYS X 11 -3.823 -6.976 -7.894 1.00 11.34 C ATOM 193 NZ LYS X 11 -3.685 -6.714 -9.358 1.00 34.04 N ATOM 0 H LYS X 11 -2.488 -8.242 -3.457 1.00 31.31 H new ATOM 0 HA LYS X 11 -0.146 -8.264 -5.090 1.00 5.35 H new ATOM 0 HB2 LYS X 11 -2.461 -6.275 -5.142 1.00 45.03 H new ATOM 0 HB3 LYS X 11 -1.378 -6.654 -6.467 1.00 45.03 H new ATOM 0 HG2 LYS X 11 -2.327 -9.185 -5.704 1.00 21.24 H new ATOM 0 HG3 LYS X 11 -3.733 -8.164 -5.480 1.00 21.24 H new ATOM 0 HD2 LYS X 11 -2.040 -8.191 -8.033 1.00 30.51 H new ATOM 0 HD3 LYS X 11 -3.515 -9.116 -7.834 1.00 30.51 H new ATOM 0 HE2 LYS X 11 -4.871 -7.133 -7.639 1.00 11.34 H new ATOM 0 HE3 LYS X 11 -3.483 -6.110 -7.325 1.00 11.34 H new ATOM 0 HZ1 LYS X 11 -4.245 -5.876 -9.615 1.00 34.04 H new ATOM 0 HZ2 LYS X 11 -2.685 -6.546 -9.588 1.00 34.04 H new ATOM 0 HZ3 LYS X 11 -4.030 -7.537 -9.892 1.00 34.04 H new ATOM 207 N ILE X 12 -0.570 -5.652 -3.109 1.00 43.21 N ATOM 208 CA ILE X 12 0.155 -4.492 -2.518 1.00 73.24 C ATOM 209 C ILE X 12 1.466 -4.995 -1.919 1.00 14.44 C ATOM 210 O ILE X 12 2.481 -4.328 -1.955 1.00 50.33 O ATOM 211 CB ILE X 12 -0.703 -3.858 -1.416 1.00 33.34 C ATOM 212 CG1 ILE X 12 -1.660 -2.822 -2.020 1.00 32.35 C ATOM 213 CG2 ILE X 12 0.202 -3.169 -0.393 1.00 70.11 C ATOM 214 CD1 ILE X 12 -2.649 -3.514 -2.957 1.00 24.34 C ATOM 0 H ILE X 12 -1.499 -5.823 -2.723 1.00 43.21 H new ATOM 0 HA ILE X 12 0.356 -3.745 -3.286 1.00 73.24 H new ATOM 0 HB ILE X 12 -1.283 -4.641 -0.928 1.00 33.34 H new ATOM 0 HG12 ILE X 12 -2.199 -2.305 -1.226 1.00 32.35 H new ATOM 0 HG13 ILE X 12 -1.095 -2.067 -2.566 1.00 32.35 H new ATOM 0 HG21 ILE X 12 -0.410 -2.719 0.389 1.00 70.11 H new ATOM 0 HG22 ILE X 12 0.875 -3.903 0.050 1.00 70.11 H new ATOM 0 HG23 ILE X 12 0.786 -2.393 -0.888 1.00 70.11 H new ATOM 0 HD11 ILE X 12 -3.326 -2.773 -3.383 1.00 24.34 H new ATOM 0 HD12 ILE X 12 -2.103 -4.011 -3.759 1.00 24.34 H new ATOM 0 HD13 ILE X 12 -3.224 -4.252 -2.398 1.00 24.34 H new ATOM 226 N ASP X 13 1.448 -6.182 -1.374 1.00 63.41 N ATOM 227 CA ASP X 13 2.682 -6.759 -0.774 1.00 21.14 C ATOM 228 C ASP X 13 3.768 -6.835 -1.850 1.00 62.13 C ATOM 229 O ASP X 13 4.915 -6.512 -1.614 1.00 30.12 O ATOM 230 CB ASP X 13 2.376 -8.166 -0.243 1.00 60.11 C ATOM 231 CG ASP X 13 3.494 -8.625 0.696 1.00 41.41 C ATOM 232 OD1 ASP X 13 3.678 -7.990 1.721 1.00 24.30 O ATOM 233 OD2 ASP X 13 4.145 -9.604 0.373 1.00 21.15 O ATOM 0 H ASP X 13 0.624 -6.780 -1.319 1.00 63.41 H new ATOM 0 HA ASP X 13 3.027 -6.133 0.049 1.00 21.14 H new ATOM 0 HB2 ASP X 13 1.423 -8.165 0.286 1.00 60.11 H new ATOM 0 HB3 ASP X 13 2.278 -8.864 -1.074 1.00 60.11 H new ATOM 238 N GLU X 14 3.408 -7.249 -3.035 1.00 22.41 N ATOM 239 CA GLU X 14 4.408 -7.324 -4.138 1.00 31.43 C ATOM 240 C GLU X 14 4.918 -5.914 -4.439 1.00 42.01 C ATOM 241 O GLU X 14 6.051 -5.721 -4.835 1.00 74.03 O ATOM 242 CB GLU X 14 3.745 -7.905 -5.392 1.00 74.51 C ATOM 243 CG GLU X 14 3.397 -9.380 -5.164 1.00 71.42 C ATOM 244 CD GLU X 14 2.670 -9.926 -6.396 1.00 4.10 C ATOM 245 OE1 GLU X 14 2.466 -9.163 -7.326 1.00 4.10 O ATOM 246 OE2 GLU X 14 2.330 -11.097 -6.388 1.00 40.13 O ATOM 0 H GLU X 14 2.463 -7.539 -3.287 1.00 22.41 H new ATOM 0 HA GLU X 14 5.239 -7.964 -3.841 1.00 31.43 H new ATOM 0 HB2 GLU X 14 2.842 -7.342 -5.630 1.00 74.51 H new ATOM 0 HB3 GLU X 14 4.415 -7.809 -6.246 1.00 74.51 H new ATOM 0 HG2 GLU X 14 4.304 -9.955 -4.979 1.00 71.42 H new ATOM 0 HG3 GLU X 14 2.767 -9.484 -4.280 1.00 71.42 H new ATOM 253 N ILE X 15 4.083 -4.924 -4.250 1.00 42.15 N ATOM 254 CA ILE X 15 4.510 -3.517 -4.512 1.00 70.32 C ATOM 255 C ILE X 15 5.267 -2.983 -3.291 1.00 52.54 C ATOM 256 O ILE X 15 6.196 -2.208 -3.413 1.00 64.24 O ATOM 257 CB ILE X 15 3.278 -2.636 -4.756 1.00 11.41 C ATOM 258 CG1 ILE X 15 2.753 -2.851 -6.179 1.00 53.34 C ATOM 259 CG2 ILE X 15 3.663 -1.169 -4.576 1.00 32.34 C ATOM 260 CD1 ILE X 15 1.871 -4.104 -6.215 1.00 64.11 C ATOM 0 H ILE X 15 3.122 -5.030 -3.925 1.00 42.15 H new ATOM 0 HA ILE X 15 5.154 -3.496 -5.391 1.00 70.32 H new ATOM 0 HB ILE X 15 2.499 -2.905 -4.043 1.00 11.41 H new ATOM 0 HG12 ILE X 15 2.181 -1.981 -6.502 1.00 53.34 H new ATOM 0 HG13 ILE X 15 3.587 -2.960 -6.873 1.00 53.34 H new ATOM 0 HG21 ILE X 15 2.790 -0.540 -4.749 1.00 32.34 H new ATOM 0 HG22 ILE X 15 4.029 -1.011 -3.562 1.00 32.34 H new ATOM 0 HG23 ILE X 15 4.445 -0.908 -5.289 1.00 32.34 H new ATOM 0 HD11 ILE X 15 1.497 -4.257 -7.227 1.00 64.11 H new ATOM 0 HD12 ILE X 15 2.457 -4.971 -5.910 1.00 64.11 H new ATOM 0 HD13 ILE X 15 1.030 -3.977 -5.533 1.00 64.11 H new ATOM 272 N ASP X 16 4.872 -3.395 -2.118 1.00 1.41 N ATOM 273 CA ASP X 16 5.551 -2.918 -0.881 1.00 14.24 C ATOM 274 C ASP X 16 7.042 -3.260 -0.952 1.00 21.12 C ATOM 275 O ASP X 16 7.894 -2.414 -0.764 1.00 55.21 O ATOM 276 CB ASP X 16 4.910 -3.600 0.333 1.00 11.34 C ATOM 277 CG ASP X 16 3.497 -3.053 0.554 1.00 20.42 C ATOM 278 OD1 ASP X 16 3.144 -2.093 -0.112 1.00 52.11 O ATOM 279 OD2 ASP X 16 2.795 -3.604 1.382 1.00 21.51 O ATOM 0 H ASP X 16 4.102 -4.046 -1.963 1.00 1.41 H new ATOM 0 HA ASP X 16 5.442 -1.837 -0.788 1.00 14.24 H new ATOM 0 HB2 ASP X 16 4.871 -4.678 0.177 1.00 11.34 H new ATOM 0 HB3 ASP X 16 5.519 -3.428 1.221 1.00 11.34 H new ATOM 284 N ASN X 17 7.364 -4.496 -1.214 1.00 11.55 N ATOM 285 CA ASN X 17 8.797 -4.892 -1.330 1.00 31.14 C ATOM 286 C ASN X 17 9.452 -4.121 -2.478 1.00 52.35 C ATOM 287 O ASN X 17 10.610 -3.761 -2.419 1.00 32.13 O ATOM 288 CB ASN X 17 8.885 -6.390 -1.617 1.00 44.11 C ATOM 289 CG ASN X 17 8.659 -7.175 -0.323 1.00 61.33 C ATOM 290 OD1 ASN X 17 9.204 -6.749 0.787 1.00 45.44 O flip ATOM 291 ND2 ASN X 17 7.975 -8.182 -0.315 1.00 64.33 N flip ATOM 0 H ASN X 17 6.694 -5.253 -1.353 1.00 11.55 H new ATOM 0 HA ASN X 17 9.312 -4.663 -0.397 1.00 31.14 H new ATOM 0 HB2 ASN X 17 8.140 -6.672 -2.360 1.00 44.11 H new ATOM 0 HB3 ASN X 17 9.861 -6.633 -2.036 1.00 44.11 H new ATOM 0 HD21 ASN X 17 7.549 -8.516 -1.179 1.00 64.33 H new ATOM 0 HD22 ASN X 17 7.828 -8.692 0.556 1.00 64.33 H new ATOM 298 N LYS X 18 8.716 -3.885 -3.532 1.00 1.21 N ATOM 299 CA LYS X 18 9.286 -3.165 -4.715 1.00 54.12 C ATOM 300 C LYS X 18 9.753 -1.761 -4.309 1.00 65.11 C ATOM 301 O LYS X 18 10.821 -1.323 -4.684 1.00 30.41 O ATOM 302 CB LYS X 18 8.203 -3.056 -5.798 1.00 42.22 C ATOM 303 CG LYS X 18 8.788 -2.454 -7.080 1.00 44.32 C ATOM 304 CD LYS X 18 7.686 -2.375 -8.146 1.00 51.33 C ATOM 305 CE LYS X 18 8.276 -1.878 -9.471 1.00 41.30 C ATOM 306 NZ LYS X 18 8.524 -0.409 -9.386 1.00 22.15 N ATOM 0 H LYS X 18 7.739 -4.161 -3.627 1.00 1.21 H new ATOM 0 HA LYS X 18 10.143 -3.719 -5.098 1.00 54.12 H new ATOM 0 HB2 LYS X 18 7.789 -4.042 -6.008 1.00 42.22 H new ATOM 0 HB3 LYS X 18 7.382 -2.435 -5.439 1.00 42.22 H new ATOM 0 HG2 LYS X 18 9.189 -1.461 -6.880 1.00 44.32 H new ATOM 0 HG3 LYS X 18 9.616 -3.066 -7.439 1.00 44.32 H new ATOM 0 HD2 LYS X 18 7.232 -3.356 -8.285 1.00 51.33 H new ATOM 0 HD3 LYS X 18 6.895 -1.702 -7.815 1.00 51.33 H new ATOM 0 HE2 LYS X 18 9.207 -2.403 -9.686 1.00 41.30 H new ATOM 0 HE3 LYS X 18 7.591 -2.095 -10.290 1.00 41.30 H new ATOM 0 HZ1 LYS X 18 8.860 -0.060 -10.306 1.00 22.15 H new ATOM 0 HZ2 LYS X 18 7.641 0.078 -9.133 1.00 22.15 H new ATOM 0 HZ3 LYS X 18 9.244 -0.220 -8.660 1.00 22.15 H new ATOM 320 N ILE X 19 8.962 -1.045 -3.553 1.00 64.10 N ATOM 321 CA ILE X 19 9.361 0.338 -3.156 1.00 23.24 C ATOM 322 C ILE X 19 10.490 0.284 -2.121 1.00 73.11 C ATOM 323 O ILE X 19 11.285 1.196 -2.012 1.00 40.50 O ATOM 324 CB ILE X 19 8.151 1.065 -2.567 1.00 73.31 C ATOM 325 CG1 ILE X 19 8.587 2.437 -2.036 1.00 71.33 C ATOM 326 CG2 ILE X 19 7.550 0.233 -1.432 1.00 73.03 C ATOM 327 CD1 ILE X 19 8.822 2.367 -0.526 1.00 44.32 C ATOM 0 H ILE X 19 8.060 -1.357 -3.194 1.00 64.10 H new ATOM 0 HA ILE X 19 9.717 0.876 -4.035 1.00 23.24 H new ATOM 0 HB ILE X 19 7.398 1.203 -3.343 1.00 73.31 H new ATOM 0 HG12 ILE X 19 9.499 2.757 -2.539 1.00 71.33 H new ATOM 0 HG13 ILE X 19 7.822 3.181 -2.259 1.00 71.33 H new ATOM 0 HG21 ILE X 19 6.688 0.755 -1.015 1.00 73.03 H new ATOM 0 HG22 ILE X 19 7.235 -0.736 -1.819 1.00 73.03 H new ATOM 0 HG23 ILE X 19 8.298 0.087 -0.652 1.00 73.03 H new ATOM 0 HD11 ILE X 19 9.131 3.346 -0.160 1.00 44.32 H new ATOM 0 HD12 ILE X 19 7.900 2.068 -0.028 1.00 44.32 H new ATOM 0 HD13 ILE X 19 9.603 1.637 -0.313 1.00 44.32 H new ATOM 339 N LEU X 20 10.576 -0.779 -1.368 1.00 24.32 N ATOM 340 CA LEU X 20 11.662 -0.882 -0.351 1.00 24.32 C ATOM 341 C LEU X 20 12.998 -1.105 -1.071 1.00 3.21 C ATOM 342 O LEU X 20 14.051 -0.766 -0.566 1.00 52.12 O ATOM 343 CB LEU X 20 11.393 -2.071 0.579 1.00 61.32 C ATOM 344 CG LEU X 20 10.214 -1.768 1.511 1.00 52.11 C ATOM 345 CD1 LEU X 20 9.854 -3.035 2.288 1.00 42.33 C ATOM 346 CD2 LEU X 20 10.599 -0.665 2.503 1.00 1.53 C ATOM 0 H LEU X 20 9.944 -1.578 -1.412 1.00 24.32 H new ATOM 0 HA LEU X 20 11.697 0.036 0.236 1.00 24.32 H new ATOM 0 HB2 LEU X 20 11.177 -2.961 -0.012 1.00 61.32 H new ATOM 0 HB3 LEU X 20 12.284 -2.288 1.169 1.00 61.32 H new ATOM 0 HG LEU X 20 9.363 -1.436 0.917 1.00 52.11 H new ATOM 0 HD11 LEU X 20 9.016 -2.828 2.954 1.00 42.33 H new ATOM 0 HD12 LEU X 20 9.576 -3.824 1.589 1.00 42.33 H new ATOM 0 HD13 LEU X 20 10.713 -3.358 2.876 1.00 42.33 H new ATOM 0 HD21 LEU X 20 9.755 -0.457 3.161 1.00 1.53 H new ATOM 0 HD22 LEU X 20 11.451 -0.992 3.098 1.00 1.53 H new ATOM 0 HD23 LEU X 20 10.865 0.240 1.956 1.00 1.53 H new ATOM 561 N ALA X 32 0.758 4.432 -8.610 1.00 11.53 N ATOM 562 CA ALA X 32 -0.550 4.129 -9.259 1.00 65.33 C ATOM 563 C ALA X 32 -1.001 2.714 -8.883 1.00 53.52 C ATOM 564 O ALA X 32 -2.140 2.490 -8.521 1.00 50.42 O ATOM 565 CB ALA X 32 -0.392 4.225 -10.778 1.00 32.50 C ATOM 0 HA ALA X 32 -1.298 4.846 -8.919 1.00 65.33 H new ATOM 0 HB1 ALA X 32 -1.346 4.004 -11.258 1.00 32.50 H new ATOM 0 HB2 ALA X 32 -0.075 5.232 -11.048 1.00 32.50 H new ATOM 0 HB3 ALA X 32 0.357 3.507 -11.112 1.00 32.50 H new ATOM 571 N GLU X 33 -0.117 1.756 -8.964 1.00 12.14 N ATOM 572 CA GLU X 33 -0.498 0.354 -8.625 1.00 34.15 C ATOM 573 C GLU X 33 -1.221 0.337 -7.274 1.00 20.35 C ATOM 574 O GLU X 33 -2.326 -0.154 -7.158 1.00 1.03 O ATOM 575 CB GLU X 33 0.765 -0.509 -8.544 1.00 61.15 C ATOM 576 CG GLU X 33 1.441 -0.576 -9.916 1.00 23.50 C ATOM 577 CD GLU X 33 2.261 0.694 -10.149 1.00 42.02 C ATOM 578 OE1 GLU X 33 2.203 1.574 -9.305 1.00 62.24 O ATOM 579 OE2 GLU X 33 2.930 0.768 -11.166 1.00 2.42 O ATOM 0 H GLU X 33 0.854 1.884 -9.251 1.00 12.14 H new ATOM 0 HA GLU X 33 -1.160 -0.043 -9.395 1.00 34.15 H new ATOM 0 HB2 GLU X 33 1.454 -0.092 -7.810 1.00 61.15 H new ATOM 0 HB3 GLU X 33 0.509 -1.513 -8.206 1.00 61.15 H new ATOM 0 HG2 GLU X 33 2.086 -1.453 -9.972 1.00 23.50 H new ATOM 0 HG3 GLU X 33 0.689 -0.684 -10.698 1.00 23.50 H new ATOM 586 N ARG X 34 -0.608 0.872 -6.251 1.00 72.02 N ATOM 587 CA ARG X 34 -1.263 0.884 -4.908 1.00 40.04 C ATOM 588 C ARG X 34 -2.586 1.631 -5.002 1.00 13.35 C ATOM 589 O ARG X 34 -3.586 1.219 -4.450 1.00 44.33 O ATOM 590 CB ARG X 34 -0.342 1.590 -3.896 1.00 64.13 C ATOM 591 CG ARG X 34 -0.727 1.219 -2.454 1.00 70.43 C ATOM 592 CD ARG X 34 0.041 2.100 -1.490 1.00 31.35 C ATOM 593 NE ARG X 34 0.206 1.439 -0.142 1.00 20.42 N ATOM 594 CZ ARG X 34 -0.863 1.168 0.534 1.00 54.30 C ATOM 595 NH1 ARG X 34 -2.023 1.508 0.046 1.00 52.41 N ATOM 596 NH2 ARG X 34 -0.789 0.546 1.679 1.00 45.20 N ATOM 0 H ARG X 34 0.317 1.301 -6.286 1.00 72.02 H new ATOM 0 HA ARG X 34 -1.445 -0.139 -4.578 1.00 40.04 H new ATOM 0 HB2 ARG X 34 0.694 1.310 -4.084 1.00 64.13 H new ATOM 0 HB3 ARG X 34 -0.409 2.670 -4.028 1.00 64.13 H new ATOM 0 HG2 ARG X 34 -1.799 1.347 -2.307 1.00 70.43 H new ATOM 0 HG3 ARG X 34 -0.503 0.169 -2.264 1.00 70.43 H new ATOM 0 HD2 ARG X 34 1.022 2.327 -1.907 1.00 31.35 H new ATOM 0 HD3 ARG X 34 -0.481 3.049 -1.369 1.00 31.35 H new ATOM 0 HE ARG X 34 1.131 1.213 0.224 1.00 20.42 H new ATOM 0 HH11 ARG X 34 -2.078 1.980 -0.856 1.00 52.41 H new ATOM 0 HH12 ARG X 34 -2.876 1.302 0.566 1.00 52.41 H new ATOM 0 HH21 ARG X 34 0.119 0.268 2.050 1.00 45.20 H new ATOM 0 HH22 ARG X 34 -1.639 0.338 2.202 1.00 45.20 H new ATOM 610 N ASN X 35 -2.603 2.733 -5.702 1.00 61.23 N ATOM 611 CA ASN X 35 -3.866 3.499 -5.843 1.00 0.11 C ATOM 612 C ASN X 35 -4.902 2.635 -6.575 1.00 14.32 C ATOM 613 O ASN X 35 -6.063 2.590 -6.211 1.00 55.04 O ATOM 614 CB ASN X 35 -3.605 4.778 -6.643 1.00 42.43 C ATOM 615 CG ASN X 35 -4.930 5.490 -6.907 1.00 15.21 C ATOM 616 OD1 ASN X 35 -5.873 4.889 -7.389 1.00 72.22 O ATOM 617 ND2 ASN X 35 -5.042 6.755 -6.618 1.00 2.04 N ATOM 0 H ASN X 35 -1.796 3.133 -6.181 1.00 61.23 H new ATOM 0 HA ASN X 35 -4.244 3.765 -4.856 1.00 0.11 H new ATOM 0 HB2 ASN X 35 -2.931 5.434 -6.092 1.00 42.43 H new ATOM 0 HB3 ASN X 35 -3.115 4.537 -7.586 1.00 42.43 H new ATOM 0 HD21 ASN X 35 -5.920 7.243 -6.795 1.00 2.04 H new ATOM 0 HD22 ASN X 35 -4.252 7.258 -6.214 1.00 2.04 H new ATOM 624 N SER X 36 -4.491 1.938 -7.599 1.00 55.10 N ATOM 625 CA SER X 36 -5.448 1.077 -8.353 1.00 1.15 C ATOM 626 C SER X 36 -6.307 0.294 -7.356 1.00 53.53 C ATOM 627 O SER X 36 -7.441 0.639 -7.091 1.00 51.50 O ATOM 628 CB SER X 36 -4.664 0.098 -9.223 1.00 73.03 C ATOM 629 OG SER X 36 -5.568 -0.643 -10.032 1.00 70.44 O ATOM 0 H SER X 36 -3.532 1.927 -7.947 1.00 55.10 H new ATOM 0 HA SER X 36 -6.087 1.696 -8.983 1.00 1.15 H new ATOM 0 HB2 SER X 36 -3.956 0.639 -9.851 1.00 73.03 H new ATOM 0 HB3 SER X 36 -4.082 -0.578 -8.596 1.00 73.03 H new ATOM 0 HG SER X 36 -5.066 -1.271 -10.593 1.00 70.44 H new ATOM 635 N LEU X 37 -5.769 -0.761 -6.800 1.00 22.01 N ATOM 636 CA LEU X 37 -6.544 -1.562 -5.805 1.00 1.22 C ATOM 637 C LEU X 37 -7.379 -0.617 -4.930 1.00 10.02 C ATOM 638 O LEU X 37 -8.545 -0.848 -4.680 1.00 14.53 O ATOM 639 CB LEU X 37 -5.587 -2.333 -4.890 1.00 40.04 C ATOM 640 CG LEU X 37 -4.855 -3.453 -5.647 1.00 2.42 C ATOM 641 CD1 LEU X 37 -5.853 -4.391 -6.327 1.00 53.04 C ATOM 642 CD2 LEU X 37 -3.927 -2.843 -6.699 1.00 2.43 C ATOM 0 H LEU X 37 -4.827 -1.102 -6.992 1.00 22.01 H new ATOM 0 HA LEU X 37 -7.187 -2.258 -6.343 1.00 1.22 H new ATOM 0 HB2 LEU X 37 -4.857 -1.645 -4.464 1.00 40.04 H new ATOM 0 HB3 LEU X 37 -6.145 -2.761 -4.057 1.00 40.04 H new ATOM 0 HG LEU X 37 -4.270 -4.029 -4.930 1.00 2.42 H new ATOM 0 HD11 LEU X 37 -5.312 -5.176 -6.856 1.00 53.04 H new ATOM 0 HD12 LEU X 37 -6.500 -4.841 -5.574 1.00 53.04 H new ATOM 0 HD13 LEU X 37 -6.459 -3.826 -7.036 1.00 53.04 H new ATOM 0 HD21 LEU X 37 -3.410 -3.640 -7.234 1.00 2.43 H new ATOM 0 HD22 LEU X 37 -4.514 -2.254 -7.404 1.00 2.43 H new ATOM 0 HD23 LEU X 37 -3.195 -2.200 -6.210 1.00 2.43 H new ATOM 654 N ALA X 38 -6.774 0.435 -4.443 1.00 52.33 N ATOM 655 CA ALA X 38 -7.503 1.388 -3.551 1.00 55.24 C ATOM 656 C ALA X 38 -8.924 1.633 -4.066 1.00 43.21 C ATOM 657 O ALA X 38 -9.879 1.609 -3.315 1.00 2.41 O ATOM 658 CB ALA X 38 -6.751 2.719 -3.512 1.00 2.34 C ATOM 0 H ALA X 38 -5.800 0.677 -4.626 1.00 52.33 H new ATOM 0 HA ALA X 38 -7.559 0.955 -2.552 1.00 55.24 H new ATOM 0 HB1 ALA X 38 -7.280 3.417 -2.862 1.00 2.34 H new ATOM 0 HB2 ALA X 38 -5.744 2.557 -3.127 1.00 2.34 H new ATOM 0 HB3 ALA X 38 -6.693 3.133 -4.518 1.00 2.34 H new ATOM 664 N LYS X 39 -9.069 1.886 -5.336 1.00 51.35 N ATOM 665 CA LYS X 39 -10.429 2.105 -5.907 1.00 14.11 C ATOM 666 C LYS X 39 -11.258 0.818 -5.803 1.00 15.30 C ATOM 667 O LYS X 39 -12.365 0.822 -5.302 1.00 51.01 O ATOM 668 CB LYS X 39 -10.293 2.509 -7.377 1.00 14.03 C ATOM 669 CG LYS X 39 -11.685 2.669 -7.998 1.00 21.04 C ATOM 670 CD LYS X 39 -12.230 1.298 -8.404 1.00 32.12 C ATOM 671 CE LYS X 39 -12.833 1.374 -9.809 1.00 71.54 C ATOM 672 NZ LYS X 39 -13.562 0.110 -10.113 1.00 22.11 N ATOM 0 H LYS X 39 -8.303 1.951 -6.006 1.00 51.35 H new ATOM 0 HA LYS X 39 -10.933 2.894 -5.349 1.00 14.11 H new ATOM 0 HB2 LYS X 39 -9.738 3.444 -7.458 1.00 14.03 H new ATOM 0 HB3 LYS X 39 -9.726 1.754 -7.921 1.00 14.03 H new ATOM 0 HG2 LYS X 39 -12.360 3.142 -7.285 1.00 21.04 H new ATOM 0 HG3 LYS X 39 -11.632 3.322 -8.869 1.00 21.04 H new ATOM 0 HD2 LYS X 39 -11.430 0.558 -8.381 1.00 32.12 H new ATOM 0 HD3 LYS X 39 -12.987 0.972 -7.691 1.00 32.12 H new ATOM 0 HE2 LYS X 39 -13.513 2.223 -9.878 1.00 71.54 H new ATOM 0 HE3 LYS X 39 -12.045 1.537 -10.545 1.00 71.54 H new ATOM 0 HZ1 LYS X 39 -13.690 0.022 -11.141 1.00 22.11 H new ATOM 0 HZ2 LYS X 39 -13.013 -0.700 -9.761 1.00 22.11 H new ATOM 0 HZ3 LYS X 39 -14.493 0.126 -9.649 1.00 22.11 H new ATOM 686 N ASP X 40 -10.733 -0.278 -6.271 1.00 34.42 N ATOM 687 CA ASP X 40 -11.488 -1.558 -6.196 1.00 32.52 C ATOM 688 C ASP X 40 -11.746 -1.914 -4.728 1.00 14.00 C ATOM 689 O ASP X 40 -12.808 -2.388 -4.372 1.00 34.33 O ATOM 690 CB ASP X 40 -10.661 -2.664 -6.860 1.00 53.03 C ATOM 691 CG ASP X 40 -10.715 -2.500 -8.381 1.00 55.24 C ATOM 692 OD1 ASP X 40 -11.486 -1.676 -8.842 1.00 35.04 O ATOM 693 OD2 ASP X 40 -9.985 -3.204 -9.059 1.00 2.04 O ATOM 0 H ASP X 40 -9.811 -0.343 -6.703 1.00 34.42 H new ATOM 0 HA ASP X 40 -12.443 -1.456 -6.711 1.00 32.52 H new ATOM 0 HB2 ASP X 40 -9.628 -2.617 -6.515 1.00 53.03 H new ATOM 0 HB3 ASP X 40 -11.048 -3.642 -6.575 1.00 53.03 H new ATOM 698 N VAL X 41 -10.785 -1.688 -3.875 1.00 65.22 N ATOM 699 CA VAL X 41 -10.972 -2.014 -2.434 1.00 12.21 C ATOM 700 C VAL X 41 -12.129 -1.181 -1.885 1.00 5.34 C ATOM 701 O VAL X 41 -13.005 -1.684 -1.206 1.00 13.04 O ATOM 702 CB VAL X 41 -9.690 -1.680 -1.666 1.00 0.52 C ATOM 703 CG1 VAL X 41 -9.929 -1.860 -0.166 1.00 52.23 C ATOM 704 CG2 VAL X 41 -8.562 -2.614 -2.117 1.00 21.13 C ATOM 0 H VAL X 41 -9.877 -1.291 -4.115 1.00 65.22 H new ATOM 0 HA VAL X 41 -11.194 -3.075 -2.319 1.00 12.21 H new ATOM 0 HB VAL X 41 -9.409 -0.647 -1.868 1.00 0.52 H new ATOM 0 HG11 VAL X 41 -9.016 -1.622 0.379 1.00 52.23 H new ATOM 0 HG12 VAL X 41 -10.729 -1.194 0.158 1.00 52.23 H new ATOM 0 HG13 VAL X 41 -10.213 -2.893 0.036 1.00 52.23 H new ATOM 0 HG21 VAL X 41 -7.651 -2.375 -1.569 1.00 21.13 H new ATOM 0 HG22 VAL X 41 -8.844 -3.648 -1.918 1.00 21.13 H new ATOM 0 HG23 VAL X 41 -8.388 -2.485 -3.185 1.00 21.13 H new ATOM 714 N ALA X 42 -12.139 0.089 -2.179 1.00 4.32 N ATOM 715 CA ALA X 42 -13.227 0.970 -1.665 1.00 54.02 C ATOM 716 C ALA X 42 -14.577 0.312 -1.955 1.00 54.21 C ATOM 717 O ALA X 42 -15.441 0.239 -1.103 1.00 22.44 O ATOM 718 CB ALA X 42 -13.150 2.327 -2.366 1.00 4.44 C ATOM 0 H ALA X 42 -11.439 0.557 -2.755 1.00 4.32 H new ATOM 0 HA ALA X 42 -13.116 1.115 -0.590 1.00 54.02 H new ATOM 0 HB1 ALA X 42 -13.944 2.975 -1.993 1.00 4.44 H new ATOM 0 HB2 ALA X 42 -12.182 2.786 -2.164 1.00 4.44 H new ATOM 0 HB3 ALA X 42 -13.269 2.189 -3.441 1.00 4.44 H new ATOM 724 N GLU X 43 -14.757 -0.177 -3.152 1.00 64.53 N ATOM 725 CA GLU X 43 -16.040 -0.847 -3.506 1.00 1.42 C ATOM 726 C GLU X 43 -16.333 -1.942 -2.480 1.00 44.31 C ATOM 727 O GLU X 43 -17.327 -1.907 -1.782 1.00 32.33 O ATOM 728 CB GLU X 43 -15.915 -1.474 -4.900 1.00 2.31 C ATOM 729 CG GLU X 43 -17.242 -2.123 -5.303 1.00 34.32 C ATOM 730 CD GLU X 43 -17.127 -2.701 -6.712 1.00 53.12 C ATOM 731 OE1 GLU X 43 -16.013 -2.814 -7.194 1.00 2.21 O ATOM 732 OE2 GLU X 43 -18.153 -3.024 -7.287 1.00 10.31 O ATOM 0 H GLU X 43 -14.067 -0.141 -3.903 1.00 64.53 H new ATOM 0 HA GLU X 43 -16.850 -0.118 -3.506 1.00 1.42 H new ATOM 0 HB2 GLU X 43 -15.638 -0.711 -5.627 1.00 2.31 H new ATOM 0 HB3 GLU X 43 -15.120 -2.220 -4.902 1.00 2.31 H new ATOM 0 HG2 GLU X 43 -17.501 -2.911 -4.596 1.00 34.32 H new ATOM 0 HG3 GLU X 43 -18.044 -1.386 -5.267 1.00 34.32 H new ATOM 739 N ILE X 44 -15.467 -2.919 -2.385 1.00 4.10 N ATOM 740 CA ILE X 44 -15.688 -4.029 -1.411 1.00 0.14 C ATOM 741 C ILE X 44 -16.034 -3.440 -0.039 1.00 12.34 C ATOM 742 O ILE X 44 -16.846 -3.975 0.690 1.00 74.11 O ATOM 743 CB ILE X 44 -14.414 -4.863 -1.281 1.00 71.42 C ATOM 744 CG1 ILE X 44 -13.889 -5.259 -2.669 1.00 72.02 C ATOM 745 CG2 ILE X 44 -14.707 -6.123 -0.466 1.00 51.55 C ATOM 746 CD1 ILE X 44 -14.999 -5.920 -3.488 1.00 60.31 C ATOM 0 H ILE X 44 -14.615 -2.995 -2.941 1.00 4.10 H new ATOM 0 HA ILE X 44 -16.505 -4.658 -1.765 1.00 0.14 H new ATOM 0 HB ILE X 44 -13.655 -4.267 -0.775 1.00 71.42 H new ATOM 0 HG12 ILE X 44 -13.519 -4.376 -3.191 1.00 72.02 H new ATOM 0 HG13 ILE X 44 -13.047 -5.944 -2.565 1.00 72.02 H new ATOM 0 HG21 ILE X 44 -13.797 -6.717 -0.374 1.00 51.55 H new ATOM 0 HG22 ILE X 44 -15.058 -5.841 0.527 1.00 51.55 H new ATOM 0 HG23 ILE X 44 -15.475 -6.711 -0.969 1.00 51.55 H new ATOM 0 HD11 ILE X 44 -14.612 -6.195 -4.469 1.00 60.31 H new ATOM 0 HD12 ILE X 44 -15.349 -6.814 -2.972 1.00 60.31 H new ATOM 0 HD13 ILE X 44 -15.828 -5.222 -3.607 1.00 60.31 H new ATOM 758 N LYS X 45 -15.419 -2.342 0.317 1.00 1.40 N ATOM 759 CA LYS X 45 -15.682 -1.734 1.657 1.00 21.12 C ATOM 760 C LYS X 45 -17.168 -1.376 1.762 1.00 34.31 C ATOM 761 O LYS X 45 -17.814 -1.633 2.759 1.00 34.40 O ATOM 762 CB LYS X 45 -14.838 -0.462 1.824 1.00 33.24 C ATOM 763 CG LYS X 45 -13.348 -0.823 1.852 1.00 10.51 C ATOM 764 CD LYS X 45 -12.962 -1.304 3.257 1.00 23.05 C ATOM 765 CE LYS X 45 -11.441 -1.223 3.435 1.00 51.11 C ATOM 766 NZ LYS X 45 -11.016 0.207 3.480 1.00 55.14 N ATOM 0 H LYS X 45 -14.746 -1.840 -0.262 1.00 1.40 H new ATOM 0 HA LYS X 45 -15.416 -2.446 2.438 1.00 21.12 H new ATOM 0 HB2 LYS X 45 -15.038 0.228 1.004 1.00 33.24 H new ATOM 0 HB3 LYS X 45 -15.114 0.050 2.746 1.00 33.24 H new ATOM 0 HG2 LYS X 45 -13.138 -1.602 1.119 1.00 10.51 H new ATOM 0 HG3 LYS X 45 -12.748 0.044 1.576 1.00 10.51 H new ATOM 0 HD2 LYS X 45 -13.458 -0.692 4.010 1.00 23.05 H new ATOM 0 HD3 LYS X 45 -13.301 -2.329 3.406 1.00 23.05 H new ATOM 0 HE2 LYS X 45 -11.145 -1.730 4.354 1.00 51.11 H new ATOM 0 HE3 LYS X 45 -10.941 -1.735 2.613 1.00 51.11 H new ATOM 0 HZ1 LYS X 45 -10.111 0.285 3.987 1.00 55.14 H new ATOM 0 HZ2 LYS X 45 -10.901 0.566 2.511 1.00 55.14 H new ATOM 0 HZ3 LYS X 45 -11.739 0.769 3.974 1.00 55.14 H new ATOM 780 N ASN X 46 -17.714 -0.788 0.732 1.00 43.54 N ATOM 781 CA ASN X 46 -19.154 -0.413 0.752 1.00 12.52 C ATOM 782 C ASN X 46 -19.993 -1.682 0.901 1.00 21.15 C ATOM 783 O ASN X 46 -20.980 -1.710 1.612 1.00 23.45 O ATOM 784 CB ASN X 46 -19.498 0.291 -0.562 1.00 15.12 C ATOM 785 CG ASN X 46 -20.961 0.736 -0.552 1.00 62.51 C ATOM 786 OD1 ASN X 46 -21.469 1.183 0.458 1.00 15.43 O ATOM 787 ND2 ASN X 46 -21.664 0.639 -1.648 1.00 0.30 N ATOM 0 H ASN X 46 -17.219 -0.550 -0.128 1.00 43.54 H new ATOM 0 HA ASN X 46 -19.363 0.257 1.586 1.00 12.52 H new ATOM 0 HB2 ASN X 46 -18.848 1.155 -0.702 1.00 15.12 H new ATOM 0 HB3 ASN X 46 -19.320 -0.381 -1.401 1.00 15.12 H new ATOM 0 HD21 ASN X 46 -22.639 0.938 -1.657 1.00 0.30 H new ATOM 0 HD22 ASN X 46 -21.238 0.264 -2.496 1.00 0.30 H new ATOM 794 N GLN X 47 -19.598 -2.737 0.243 1.00 12.45 N ATOM 795 CA GLN X 47 -20.377 -4.004 0.326 1.00 32.30 C ATOM 796 C GLN X 47 -20.079 -4.684 1.669 1.00 53.32 C ATOM 797 O GLN X 47 -20.763 -5.604 2.075 1.00 11.43 O ATOM 798 CB GLN X 47 -19.985 -4.923 -0.837 1.00 4.42 C ATOM 799 CG GLN X 47 -19.105 -6.064 -0.324 1.00 51.23 C ATOM 800 CD GLN X 47 -18.558 -6.866 -1.510 1.00 11.44 C ATOM 801 OE1 GLN X 47 -18.656 -6.439 -2.643 1.00 32.55 O ATOM 802 NE2 GLN X 47 -17.983 -8.018 -1.293 1.00 52.11 N ATOM 0 H GLN X 47 -18.768 -2.776 -0.349 1.00 12.45 H new ATOM 0 HA GLN X 47 -21.444 -3.793 0.259 1.00 32.30 H new ATOM 0 HB2 GLN X 47 -20.880 -5.327 -1.311 1.00 4.42 H new ATOM 0 HB3 GLN X 47 -19.451 -4.354 -1.598 1.00 4.42 H new ATOM 0 HG2 GLN X 47 -18.282 -5.664 0.268 1.00 51.23 H new ATOM 0 HG3 GLN X 47 -19.682 -6.715 0.333 1.00 51.23 H new ATOM 0 HE21 GLN X 47 -17.901 -8.376 -0.341 1.00 52.11 H new ATOM 0 HE22 GLN X 47 -17.616 -8.560 -2.075 1.00 52.11 H new ATOM 811 N LEU X 48 -19.075 -4.220 2.370 1.00 23.41 N ATOM 812 CA LEU X 48 -18.748 -4.815 3.701 1.00 23.21 C ATOM 813 C LEU X 48 -19.455 -4.003 4.791 1.00 23.21 C ATOM 814 O LEU X 48 -19.424 -4.344 5.957 1.00 42.10 O ATOM 815 CB LEU X 48 -17.233 -4.765 3.946 1.00 54.43 C ATOM 816 CG LEU X 48 -16.520 -5.831 3.107 1.00 21.10 C ATOM 817 CD1 LEU X 48 -15.020 -5.530 3.081 1.00 62.21 C ATOM 818 CD2 LEU X 48 -16.742 -7.215 3.725 1.00 63.20 C ATOM 0 H LEU X 48 -18.468 -3.454 2.078 1.00 23.41 H new ATOM 0 HA LEU X 48 -19.079 -5.853 3.722 1.00 23.21 H new ATOM 0 HB2 LEU X 48 -16.850 -3.777 3.692 1.00 54.43 H new ATOM 0 HB3 LEU X 48 -17.024 -4.926 5.004 1.00 54.43 H new ATOM 0 HG LEU X 48 -16.922 -5.819 2.094 1.00 21.10 H new ATOM 0 HD11 LEU X 48 -14.508 -6.285 2.485 1.00 62.21 H new ATOM 0 HD12 LEU X 48 -14.854 -4.547 2.641 1.00 62.21 H new ATOM 0 HD13 LEU X 48 -14.629 -5.543 4.098 1.00 62.21 H new ATOM 0 HD21 LEU X 48 -16.233 -7.968 3.124 1.00 63.20 H new ATOM 0 HD22 LEU X 48 -16.342 -7.229 4.739 1.00 63.20 H new ATOM 0 HD23 LEU X 48 -17.809 -7.434 3.753 1.00 63.20 H new ATOM 830 N GLY X 49 -20.096 -2.929 4.413 1.00 31.51 N ATOM 831 CA GLY X 49 -20.829 -2.090 5.409 1.00 52.23 C ATOM 832 C GLY X 49 -19.893 -1.652 6.544 1.00 24.13 C ATOM 833 O GLY X 49 -20.182 -1.861 7.706 1.00 73.55 O ATOM 0 H GLY X 49 -20.144 -2.594 3.451 1.00 31.51 H new ATOM 0 HA2 GLY X 49 -21.246 -1.212 4.916 1.00 52.23 H new ATOM 0 HA3 GLY X 49 -21.667 -2.653 5.819 1.00 52.23 H new ATOM 837 N ILE X 50 -18.786 -1.029 6.230 1.00 13.34 N ATOM 838 CA ILE X 50 -17.861 -0.568 7.311 1.00 11.33 C ATOM 839 C ILE X 50 -17.131 0.698 6.864 1.00 31.52 C ATOM 840 O ILE X 50 -17.072 1.009 5.693 1.00 24.14 O ATOM 841 CB ILE X 50 -16.831 -1.653 7.631 1.00 63.42 C ATOM 842 CG1 ILE X 50 -16.479 -2.443 6.365 1.00 11.22 C ATOM 843 CG2 ILE X 50 -17.408 -2.604 8.678 1.00 32.03 C ATOM 844 CD1 ILE X 50 -15.823 -1.515 5.339 1.00 5.54 C ATOM 0 H ILE X 50 -18.483 -0.820 5.279 1.00 13.34 H new ATOM 0 HA ILE X 50 -18.451 -0.359 8.204 1.00 11.33 H new ATOM 0 HB ILE X 50 -15.927 -1.181 8.016 1.00 63.42 H new ATOM 0 HG12 ILE X 50 -15.803 -3.262 6.613 1.00 11.22 H new ATOM 0 HG13 ILE X 50 -17.379 -2.889 5.942 1.00 11.22 H new ATOM 0 HG21 ILE X 50 -16.677 -3.379 8.908 1.00 32.03 H new ATOM 0 HG22 ILE X 50 -17.644 -2.047 9.585 1.00 32.03 H new ATOM 0 HG23 ILE X 50 -18.315 -3.066 8.289 1.00 32.03 H new ATOM 0 HD11 ILE X 50 -15.575 -2.082 4.442 1.00 5.54 H new ATOM 0 HD12 ILE X 50 -16.513 -0.712 5.082 1.00 5.54 H new ATOM 0 HD13 ILE X 50 -14.913 -1.090 5.762 1.00 5.54 H new ATOM 856 N PRO X 51 -16.596 1.431 7.803 1.00 60.05 N ATOM 857 CA PRO X 51 -15.850 2.696 7.525 1.00 1.24 C ATOM 858 C PRO X 51 -14.699 2.516 6.537 1.00 42.22 C ATOM 859 O PRO X 51 -13.972 1.539 6.583 1.00 64.40 O ATOM 860 CB PRO X 51 -15.327 3.114 8.902 1.00 10.33 C ATOM 861 CG PRO X 51 -16.293 2.516 9.866 1.00 22.02 C ATOM 862 CD PRO X 51 -16.654 1.153 9.276 1.00 33.50 C ATOM 0 HA PRO X 51 -16.492 3.440 7.053 1.00 1.24 H new ATOM 0 HB2 PRO X 51 -14.316 2.743 9.072 1.00 10.33 H new ATOM 0 HB3 PRO X 51 -15.289 4.199 9.000 1.00 10.33 H new ATOM 0 HG2 PRO X 51 -15.848 2.412 10.856 1.00 22.02 H new ATOM 0 HG3 PRO X 51 -17.177 3.143 9.978 1.00 22.02 H new ATOM 0 HD2 PRO X 51 -15.947 0.378 9.574 1.00 33.50 H new ATOM 0 HD3 PRO X 51 -17.643 0.820 9.591 1.00 33.50 H new ATOM 870 N ILE X 52 -14.525 3.455 5.649 1.00 14.31 N ATOM 871 CA ILE X 52 -13.424 3.358 4.649 1.00 61.11 C ATOM 872 C ILE X 52 -12.081 3.449 5.369 1.00 41.22 C ATOM 873 O ILE X 52 -11.162 2.706 5.086 1.00 73.41 O ATOM 874 CB ILE X 52 -13.547 4.514 3.652 1.00 73.23 C ATOM 875 CG1 ILE X 52 -14.949 4.502 3.035 1.00 14.14 C ATOM 876 CG2 ILE X 52 -12.498 4.360 2.549 1.00 4.13 C ATOM 877 CD1 ILE X 52 -15.162 5.772 2.212 1.00 11.52 C ATOM 0 H ILE X 52 -15.103 4.292 5.572 1.00 14.31 H new ATOM 0 HA ILE X 52 -13.490 2.408 4.118 1.00 61.11 H new ATOM 0 HB ILE X 52 -13.384 5.459 4.170 1.00 73.23 H new ATOM 0 HG12 ILE X 52 -15.071 3.623 2.402 1.00 14.14 H new ATOM 0 HG13 ILE X 52 -15.702 4.436 3.821 1.00 14.14 H new ATOM 0 HG21 ILE X 52 -12.589 5.185 1.842 1.00 4.13 H new ATOM 0 HG22 ILE X 52 -11.502 4.369 2.991 1.00 4.13 H new ATOM 0 HG23 ILE X 52 -12.655 3.416 2.027 1.00 4.13 H new ATOM 0 HD11 ILE X 52 -16.160 5.759 1.775 1.00 11.52 H new ATOM 0 HD12 ILE X 52 -15.059 6.645 2.857 1.00 11.52 H new ATOM 0 HD13 ILE X 52 -14.418 5.819 1.416 1.00 11.52 H new ATOM 889 N ASN X 53 -11.956 4.357 6.295 1.00 60.42 N ATOM 890 CA ASN X 53 -10.668 4.497 7.024 1.00 61.31 C ATOM 891 C ASN X 53 -10.447 3.280 7.922 1.00 11.44 C ATOM 892 O ASN X 53 -11.380 2.624 8.345 1.00 10.11 O ATOM 893 CB ASN X 53 -10.688 5.757 7.886 1.00 61.45 C ATOM 894 CG ASN X 53 -9.242 6.178 8.160 1.00 61.14 C ATOM 895 OD1 ASN X 53 -8.823 7.252 7.768 1.00 45.05 O ATOM 896 ND2 ASN X 53 -8.447 5.361 8.798 1.00 51.40 N ATOM 0 H ASN X 53 -12.689 5.007 6.578 1.00 60.42 H new ATOM 0 HA ASN X 53 -9.860 4.569 6.296 1.00 61.31 H new ATOM 0 HB2 ASN X 53 -11.226 6.557 7.376 1.00 61.45 H new ATOM 0 HB3 ASN X 53 -11.212 5.567 8.823 1.00 61.45 H new ATOM 0 HD21 ASN X 53 -7.476 5.623 8.968 1.00 51.40 H new ATOM 0 HD22 ASN X 53 -8.797 4.461 9.127 1.00 51.40 H new ATOM 903 N ASP X 54 -9.214 2.965 8.208 1.00 24.32 N ATOM 904 CA ASP X 54 -8.933 1.789 9.068 1.00 12.14 C ATOM 905 C ASP X 54 -7.460 1.797 9.487 1.00 12.35 C ATOM 906 O ASP X 54 -6.624 1.164 8.867 1.00 43.33 O ATOM 907 CB ASP X 54 -9.237 0.513 8.288 1.00 21.32 C ATOM 908 CG ASP X 54 -9.348 -0.666 9.254 1.00 1.13 C ATOM 909 OD1 ASP X 54 -9.073 -0.479 10.426 1.00 5.43 O ATOM 910 OD2 ASP X 54 -9.713 -1.740 8.802 1.00 32.35 O ATOM 0 H ASP X 54 -8.392 3.473 7.882 1.00 24.32 H new ATOM 0 HA ASP X 54 -9.559 1.831 9.960 1.00 12.14 H new ATOM 0 HB2 ASP X 54 -10.167 0.628 7.731 1.00 21.32 H new ATOM 0 HB3 ASP X 54 -8.450 0.325 7.558 1.00 21.32 H new ATOM 915 N PRO X 55 -7.156 2.488 10.555 1.00 21.03 N ATOM 916 CA PRO X 55 -5.768 2.576 11.094 1.00 21.34 C ATOM 917 C PRO X 55 -5.220 1.179 11.399 1.00 33.41 C ATOM 918 O PRO X 55 -4.273 0.719 10.789 1.00 61.14 O ATOM 919 CB PRO X 55 -5.927 3.389 12.387 1.00 62.42 C ATOM 920 CG PRO X 55 -7.212 4.129 12.224 1.00 42.13 C ATOM 921 CD PRO X 55 -8.102 3.241 11.363 1.00 2.25 C ATOM 0 HA PRO X 55 -5.070 3.032 10.392 1.00 21.34 H new ATOM 0 HB2 PRO X 55 -5.955 2.738 13.261 1.00 62.42 H new ATOM 0 HB3 PRO X 55 -5.092 4.075 12.527 1.00 62.42 H new ATOM 0 HG2 PRO X 55 -7.675 4.325 13.191 1.00 42.13 H new ATOM 0 HG3 PRO X 55 -7.048 5.096 11.748 1.00 42.13 H new ATOM 0 HD2 PRO X 55 -8.721 2.583 11.973 1.00 2.25 H new ATOM 0 HD3 PRO X 55 -8.778 3.831 10.744 1.00 2.25 H new ATOM 929 N GLU X 56 -5.824 0.495 12.330 1.00 63.51 N ATOM 930 CA GLU X 56 -5.368 -0.880 12.657 1.00 3.53 C ATOM 931 C GLU X 56 -4.657 -1.462 11.433 1.00 54.40 C ATOM 932 O GLU X 56 -3.473 -1.746 11.464 1.00 23.54 O ATOM 933 CB GLU X 56 -6.585 -1.743 12.999 1.00 51.32 C ATOM 934 CG GLU X 56 -7.209 -1.248 14.309 1.00 74.14 C ATOM 935 CD GLU X 56 -6.263 -1.551 15.475 1.00 65.41 C ATOM 936 OE1 GLU X 56 -5.285 -2.248 15.255 1.00 42.24 O ATOM 937 OE2 GLU X 56 -6.534 -1.086 16.569 1.00 33.24 O ATOM 0 H GLU X 56 -6.615 0.832 12.879 1.00 63.51 H new ATOM 0 HA GLU X 56 -4.687 -0.861 13.508 1.00 3.53 H new ATOM 0 HB2 GLU X 56 -7.317 -1.694 12.193 1.00 51.32 H new ATOM 0 HB3 GLU X 56 -6.288 -2.787 13.097 1.00 51.32 H new ATOM 0 HG2 GLU X 56 -7.399 -0.176 14.251 1.00 74.14 H new ATOM 0 HG3 GLU X 56 -8.171 -1.734 14.472 1.00 74.14 H new ATOM 944 N ARG X 57 -5.368 -1.625 10.354 1.00 42.50 N ATOM 945 CA ARG X 57 -4.747 -2.182 9.115 1.00 23.52 C ATOM 946 C ARG X 57 -3.504 -1.364 8.774 1.00 42.32 C ATOM 947 O ARG X 57 -2.450 -1.899 8.497 1.00 23.12 O ATOM 948 CB ARG X 57 -5.759 -2.094 7.967 1.00 61.41 C ATOM 949 CG ARG X 57 -6.022 -3.480 7.366 1.00 31.52 C ATOM 950 CD ARG X 57 -4.823 -3.932 6.544 1.00 25.44 C ATOM 951 NE ARG X 57 -4.779 -3.169 5.255 1.00 35.13 N ATOM 952 CZ ARG X 57 -3.679 -3.158 4.541 1.00 34.15 C ATOM 953 NH1 ARG X 57 -2.585 -3.693 5.015 1.00 23.23 N ATOM 954 NH2 ARG X 57 -3.662 -2.592 3.364 1.00 33.11 N ATOM 0 H ARG X 57 -6.359 -1.396 10.274 1.00 42.50 H new ATOM 0 HA ARG X 57 -4.465 -3.224 9.269 1.00 23.52 H new ATOM 0 HB2 ARG X 57 -6.693 -1.667 8.332 1.00 61.41 H new ATOM 0 HB3 ARG X 57 -5.382 -1.423 7.195 1.00 61.41 H new ATOM 0 HG2 ARG X 57 -6.218 -4.198 8.162 1.00 31.52 H new ATOM 0 HG3 ARG X 57 -6.912 -3.449 6.738 1.00 31.52 H new ATOM 0 HD2 ARG X 57 -3.903 -3.770 7.105 1.00 25.44 H new ATOM 0 HD3 ARG X 57 -4.890 -5.001 6.343 1.00 25.44 H new ATOM 0 HE ARG X 57 -5.602 -2.660 4.934 1.00 35.13 H new ATOM 0 HH11 ARG X 57 -2.586 -4.120 5.941 1.00 23.23 H new ATOM 0 HH12 ARG X 57 -1.730 -3.684 4.459 1.00 23.23 H new ATOM 0 HH21 ARG X 57 -4.507 -2.156 2.996 1.00 33.11 H new ATOM 0 HH22 ARG X 57 -2.804 -2.586 2.813 1.00 33.11 H new ATOM 968 N GLU X 58 -3.619 -0.062 8.808 1.00 10.34 N ATOM 969 CA GLU X 58 -2.450 0.802 8.482 1.00 43.15 C ATOM 970 C GLU X 58 -1.374 0.605 9.557 1.00 1.52 C ATOM 971 O GLU X 58 -0.192 0.628 9.277 1.00 40.32 O ATOM 972 CB GLU X 58 -2.894 2.268 8.454 1.00 11.53 C ATOM 973 CG GLU X 58 -4.023 2.443 7.431 1.00 4.04 C ATOM 974 CD GLU X 58 -4.721 3.785 7.664 1.00 53.24 C ATOM 975 OE1 GLU X 58 -4.132 4.630 8.316 1.00 11.33 O ATOM 976 OE2 GLU X 58 -5.832 3.944 7.186 1.00 11.11 O ATOM 0 H GLU X 58 -4.474 0.439 9.048 1.00 10.34 H new ATOM 0 HA GLU X 58 -2.046 0.533 7.506 1.00 43.15 H new ATOM 0 HB2 GLU X 58 -3.235 2.574 9.443 1.00 11.53 H new ATOM 0 HB3 GLU X 58 -2.051 2.909 8.194 1.00 11.53 H new ATOM 0 HG2 GLU X 58 -3.620 2.402 6.419 1.00 4.04 H new ATOM 0 HG3 GLU X 58 -4.740 1.627 7.522 1.00 4.04 H new ATOM 983 N LYS X 59 -1.776 0.394 10.785 1.00 31.41 N ATOM 984 CA LYS X 59 -0.780 0.175 11.874 1.00 23.11 C ATOM 985 C LYS X 59 0.012 -1.099 11.560 1.00 32.34 C ATOM 986 O LYS X 59 1.215 -1.156 11.719 1.00 74.50 O ATOM 987 CB LYS X 59 -1.511 0.010 13.215 1.00 70.02 C ATOM 988 CG LYS X 59 -2.250 1.307 13.576 1.00 55.05 C ATOM 989 CD LYS X 59 -1.249 2.354 14.071 1.00 62.22 C ATOM 990 CE LYS X 59 -1.995 3.628 14.478 1.00 50.01 C ATOM 991 NZ LYS X 59 -1.029 4.621 15.028 1.00 3.40 N ATOM 0 H LYS X 59 -2.752 0.364 11.079 1.00 31.41 H new ATOM 0 HA LYS X 59 -0.105 1.028 11.941 1.00 23.11 H new ATOM 0 HB2 LYS X 59 -2.219 -0.816 13.153 1.00 70.02 H new ATOM 0 HB3 LYS X 59 -0.797 -0.241 13.999 1.00 70.02 H new ATOM 0 HG2 LYS X 59 -2.785 1.686 12.705 1.00 55.05 H new ATOM 0 HG3 LYS X 59 -2.995 1.109 14.347 1.00 55.05 H new ATOM 0 HD2 LYS X 59 -0.688 1.962 14.920 1.00 62.22 H new ATOM 0 HD3 LYS X 59 -0.526 2.579 13.287 1.00 62.22 H new ATOM 0 HE2 LYS X 59 -2.513 4.049 13.616 1.00 50.01 H new ATOM 0 HE3 LYS X 59 -2.755 3.394 15.224 1.00 50.01 H new ATOM 0 HZ1 LYS X 59 -1.538 5.485 15.303 1.00 3.40 H new ATOM 0 HZ2 LYS X 59 -0.554 4.219 15.861 1.00 3.40 H new ATOM 0 HZ3 LYS X 59 -0.320 4.853 14.304 1.00 3.40 H new ATOM 1005 N TYR X 60 -0.670 -2.122 11.107 1.00 42.01 N ATOM 1006 CA TYR X 60 0.014 -3.405 10.766 1.00 51.15 C ATOM 1007 C TYR X 60 1.058 -3.140 9.676 1.00 2.02 C ATOM 1008 O TYR X 60 2.120 -3.730 9.660 1.00 64.33 O ATOM 1009 CB TYR X 60 -1.032 -4.408 10.262 1.00 13.51 C ATOM 1010 CG TYR X 60 -0.356 -5.635 9.695 1.00 65.44 C ATOM 1011 CD1 TYR X 60 0.053 -6.667 10.549 1.00 34.21 C ATOM 1012 CD2 TYR X 60 -0.123 -5.733 8.318 1.00 14.42 C ATOM 1013 CE1 TYR X 60 0.692 -7.799 10.024 1.00 73.12 C ATOM 1014 CE2 TYR X 60 0.517 -6.864 7.793 1.00 20.13 C ATOM 1015 CZ TYR X 60 0.924 -7.897 8.646 1.00 21.11 C ATOM 1016 OH TYR X 60 1.554 -9.012 8.130 1.00 20.33 O ATOM 0 H TYR X 60 -1.679 -2.122 10.958 1.00 42.01 H new ATOM 0 HA TYR X 60 0.511 -3.815 11.645 1.00 51.15 H new ATOM 0 HB2 TYR X 60 -1.694 -4.695 11.079 1.00 13.51 H new ATOM 0 HB3 TYR X 60 -1.653 -3.942 9.498 1.00 13.51 H new ATOM 0 HD1 TYR X 60 -0.124 -6.591 11.612 1.00 34.21 H new ATOM 0 HD2 TYR X 60 -0.437 -4.936 7.660 1.00 14.42 H new ATOM 0 HE1 TYR X 60 1.006 -8.596 10.682 1.00 73.12 H new ATOM 0 HE2 TYR X 60 0.696 -6.939 6.731 1.00 20.13 H new ATOM 0 HH TYR X 60 1.636 -8.921 7.158 1.00 20.33 H new ATOM 1026 N ILE X 61 0.763 -2.241 8.772 1.00 15.44 N ATOM 1027 CA ILE X 61 1.728 -1.933 7.673 1.00 42.41 C ATOM 1028 C ILE X 61 3.032 -1.399 8.279 1.00 21.11 C ATOM 1029 O ILE X 61 4.115 -1.769 7.870 1.00 23.35 O ATOM 1030 CB ILE X 61 1.130 -0.859 6.758 1.00 73.44 C ATOM 1031 CG1 ILE X 61 -0.087 -1.422 6.010 1.00 2.41 C ATOM 1032 CG2 ILE X 61 2.188 -0.401 5.756 1.00 0.51 C ATOM 1033 CD1 ILE X 61 0.324 -2.635 5.171 1.00 15.23 C ATOM 0 H ILE X 61 -0.105 -1.706 8.747 1.00 15.44 H new ATOM 0 HA ILE X 61 1.928 -2.839 7.100 1.00 42.41 H new ATOM 0 HB ILE X 61 0.809 -0.010 7.362 1.00 73.44 H new ATOM 0 HG12 ILE X 61 -0.861 -1.708 6.722 1.00 2.41 H new ATOM 0 HG13 ILE X 61 -0.515 -0.654 5.366 1.00 2.41 H new ATOM 0 HG21 ILE X 61 1.765 0.363 5.104 1.00 0.51 H new ATOM 0 HG22 ILE X 61 3.042 0.012 6.292 1.00 0.51 H new ATOM 0 HG23 ILE X 61 2.513 -1.251 5.156 1.00 0.51 H new ATOM 0 HD11 ILE X 61 -0.547 -3.026 4.645 1.00 15.23 H new ATOM 0 HD12 ILE X 61 1.082 -2.336 4.446 1.00 15.23 H new ATOM 0 HD13 ILE X 61 0.731 -3.408 5.823 1.00 15.23 H new ATOM 1045 N TYR X 62 2.931 -0.535 9.257 1.00 12.33 N ATOM 1046 CA TYR X 62 4.158 0.029 9.890 1.00 32.53 C ATOM 1047 C TYR X 62 4.962 -1.112 10.524 1.00 31.32 C ATOM 1048 O TYR X 62 6.160 -1.219 10.343 1.00 63.12 O ATOM 1049 CB TYR X 62 3.756 1.046 10.972 1.00 13.11 C ATOM 1050 CG TYR X 62 2.804 2.070 10.388 1.00 61.33 C ATOM 1051 CD1 TYR X 62 2.935 2.463 9.050 1.00 75.34 C ATOM 1052 CD2 TYR X 62 1.797 2.634 11.185 1.00 44.50 C ATOM 1053 CE1 TYR X 62 2.061 3.415 8.507 1.00 22.40 C ATOM 1054 CE2 TYR X 62 0.925 3.587 10.643 1.00 2.24 C ATOM 1055 CZ TYR X 62 1.057 3.976 9.303 1.00 0.03 C ATOM 1056 OH TYR X 62 0.199 4.917 8.767 1.00 34.21 O ATOM 0 H TYR X 62 2.050 -0.196 9.644 1.00 12.33 H new ATOM 0 HA TYR X 62 4.766 0.530 9.137 1.00 32.53 H new ATOM 0 HB2 TYR X 62 3.283 0.532 11.809 1.00 13.11 H new ATOM 0 HB3 TYR X 62 4.643 1.543 11.364 1.00 13.11 H new ATOM 0 HD1 TYR X 62 3.711 2.032 8.435 1.00 75.34 H new ATOM 0 HD2 TYR X 62 1.694 2.333 12.217 1.00 44.50 H new ATOM 0 HE1 TYR X 62 2.163 3.715 7.475 1.00 22.40 H new ATOM 0 HE2 TYR X 62 0.151 4.022 11.258 1.00 2.24 H new ATOM 0 HH TYR X 62 -0.440 5.205 9.452 1.00 34.21 H new ATOM 1066 N ASP X 63 4.305 -1.964 11.262 1.00 1.25 N ATOM 1067 CA ASP X 63 5.012 -3.106 11.907 1.00 21.15 C ATOM 1068 C ASP X 63 5.438 -4.111 10.832 1.00 72.11 C ATOM 1069 O ASP X 63 6.513 -4.680 10.891 1.00 13.14 O ATOM 1070 CB ASP X 63 4.058 -3.782 12.901 1.00 3.44 C ATOM 1071 CG ASP X 63 4.102 -3.048 14.245 1.00 15.21 C ATOM 1072 OD1 ASP X 63 5.078 -2.365 14.497 1.00 24.11 O ATOM 1073 OD2 ASP X 63 3.150 -3.182 14.997 1.00 33.55 O ATOM 0 H ASP X 63 3.303 -1.918 11.447 1.00 1.25 H new ATOM 0 HA ASP X 63 5.897 -2.749 12.434 1.00 21.15 H new ATOM 0 HB2 ASP X 63 3.042 -3.775 12.506 1.00 3.44 H new ATOM 0 HB3 ASP X 63 4.340 -4.826 13.037 1.00 3.44 H new ATOM 1078 N ARG X 64 4.598 -4.331 9.848 1.00 42.41 N ATOM 1079 CA ARG X 64 4.937 -5.298 8.753 1.00 71.21 C ATOM 1080 C ARG X 64 6.129 -4.767 7.953 1.00 62.30 C ATOM 1081 O ARG X 64 7.110 -5.456 7.746 1.00 72.05 O ATOM 1082 CB ARG X 64 3.720 -5.464 7.819 1.00 20.55 C ATOM 1083 CG ARG X 64 4.045 -6.488 6.716 1.00 10.10 C ATOM 1084 CD ARG X 64 4.240 -7.880 7.338 1.00 10.04 C ATOM 1085 NE ARG X 64 5.717 -8.171 7.464 1.00 70.41 N ATOM 1086 CZ ARG X 64 6.138 -9.232 8.063 1.00 4.21 C ATOM 1087 NH1 ARG X 64 5.271 -10.054 8.522 1.00 44.51 N ATOM 1088 NH2 ARG X 64 7.429 -9.470 8.185 1.00 22.00 N ATOM 0 H ARG X 64 3.688 -3.880 9.755 1.00 42.41 H new ATOM 0 HA ARG X 64 5.195 -6.264 9.188 1.00 71.21 H new ATOM 0 HB2 ARG X 64 2.853 -5.795 8.391 1.00 20.55 H new ATOM 0 HB3 ARG X 64 3.459 -4.505 7.372 1.00 20.55 H new ATOM 0 HG2 ARG X 64 3.238 -6.517 5.984 1.00 10.10 H new ATOM 0 HG3 ARG X 64 4.947 -6.188 6.183 1.00 10.10 H new ATOM 0 HD2 ARG X 64 3.765 -7.922 8.318 1.00 10.04 H new ATOM 0 HD3 ARG X 64 3.760 -8.638 6.718 1.00 10.04 H new ATOM 0 HE ARG X 64 6.392 -7.517 7.068 1.00 70.41 H new ATOM 0 HH11 ARG X 64 4.276 -9.861 8.409 1.00 44.51 H new ATOM 0 HH12 ARG X 64 5.575 -10.902 9.000 1.00 44.51 H new ATOM 0 HH21 ARG X 64 8.107 -8.811 7.803 1.00 22.00 H new ATOM 0 HH22 ARG X 64 7.749 -10.313 8.661 1.00 22.00 H new ATOM 1102 N ILE X 65 6.049 -3.545 7.500 1.00 3.24 N ATOM 1103 CA ILE X 65 7.183 -2.955 6.729 1.00 11.14 C ATOM 1104 C ILE X 65 8.435 -2.872 7.617 1.00 50.21 C ATOM 1105 O ILE X 65 9.549 -2.910 7.133 1.00 52.03 O ATOM 1106 CB ILE X 65 6.809 -1.543 6.260 1.00 24.12 C ATOM 1107 CG1 ILE X 65 5.661 -1.606 5.240 1.00 43.33 C ATOM 1108 CG2 ILE X 65 8.027 -0.880 5.615 1.00 0.41 C ATOM 1109 CD1 ILE X 65 6.063 -2.464 4.038 1.00 75.14 C ATOM 0 H ILE X 65 5.247 -2.929 7.630 1.00 3.24 H new ATOM 0 HA ILE X 65 7.390 -3.589 5.866 1.00 11.14 H new ATOM 0 HB ILE X 65 6.485 -0.960 7.122 1.00 24.12 H new ATOM 0 HG12 ILE X 65 4.770 -2.022 5.711 1.00 43.33 H new ATOM 0 HG13 ILE X 65 5.405 -0.600 4.908 1.00 43.33 H new ATOM 0 HG21 ILE X 65 7.761 0.123 5.282 1.00 0.41 H new ATOM 0 HG22 ILE X 65 8.836 -0.818 6.343 1.00 0.41 H new ATOM 0 HG23 ILE X 65 8.353 -1.472 4.760 1.00 0.41 H new ATOM 0 HD11 ILE X 65 5.240 -2.499 3.324 1.00 75.14 H new ATOM 0 HD12 ILE X 65 6.941 -2.030 3.559 1.00 75.14 H new ATOM 0 HD13 ILE X 65 6.295 -3.475 4.374 1.00 75.14 H new ATOM 1121 N ARG X 66 8.259 -2.750 8.909 1.00 53.23 N ATOM 1122 CA ARG X 66 9.438 -2.675 9.824 1.00 11.54 C ATOM 1123 C ARG X 66 10.313 -3.925 9.648 1.00 3.41 C ATOM 1124 O ARG X 66 11.523 -3.842 9.549 1.00 51.11 O ATOM 1125 CB ARG X 66 8.967 -2.599 11.288 1.00 73.53 C ATOM 1126 CG ARG X 66 10.026 -1.910 12.159 1.00 51.42 C ATOM 1127 CD ARG X 66 9.743 -0.407 12.209 1.00 62.11 C ATOM 1128 NE ARG X 66 11.035 0.361 12.385 1.00 53.32 N ATOM 1129 CZ ARG X 66 11.790 0.187 13.412 1.00 21.12 C ATOM 1130 NH1 ARG X 66 11.471 -0.704 14.282 1.00 55.34 N ATOM 1131 NH2 ARG X 66 12.893 0.892 13.559 1.00 13.23 N ATOM 0 H ARG X 66 7.350 -2.699 9.369 1.00 53.23 H new ATOM 0 HA ARG X 66 10.013 -1.782 9.579 1.00 11.54 H new ATOM 0 HB2 ARG X 66 8.027 -2.050 11.346 1.00 73.53 H new ATOM 0 HB3 ARG X 66 8.774 -3.603 11.666 1.00 73.53 H new ATOM 0 HG2 ARG X 66 10.013 -2.328 13.166 1.00 51.42 H new ATOM 0 HG3 ARG X 66 11.021 -2.091 11.752 1.00 51.42 H new ATOM 0 HD2 ARG X 66 9.246 -0.092 11.291 1.00 62.11 H new ATOM 0 HD3 ARG X 66 9.064 -0.184 13.032 1.00 62.11 H new ATOM 0 HE ARG X 66 11.314 1.034 11.671 1.00 53.32 H new ATOM 0 HH11 ARG X 66 10.628 -1.263 14.154 1.00 55.34 H new ATOM 0 HH12 ARG X 66 12.061 -0.852 15.101 1.00 55.34 H new ATOM 0 HH21 ARG X 66 13.154 1.583 12.855 1.00 13.23 H new ATOM 0 HH22 ARG X 66 13.486 0.747 14.377 1.00 13.23 H new ATOM 1145 N LYS X 67 9.711 -5.085 9.617 1.00 23.21 N ATOM 1146 CA LYS X 67 10.500 -6.346 9.451 1.00 24.41 C ATOM 1147 C LYS X 67 11.188 -6.347 8.079 1.00 70.53 C ATOM 1148 O LYS X 67 12.363 -6.636 7.968 1.00 45.21 O ATOM 1149 CB LYS X 67 9.556 -7.552 9.567 1.00 33.51 C ATOM 1150 CG LYS X 67 9.029 -7.681 11.003 1.00 70.43 C ATOM 1151 CD LYS X 67 8.105 -8.903 11.100 1.00 74.23 C ATOM 1152 CE LYS X 67 7.610 -9.070 12.542 1.00 53.22 C ATOM 1153 NZ LYS X 67 6.709 -10.258 12.629 1.00 44.15 N ATOM 0 H LYS X 67 8.703 -5.216 9.700 1.00 23.21 H new ATOM 0 HA LYS X 67 11.262 -6.408 10.228 1.00 24.41 H new ATOM 0 HB2 LYS X 67 8.722 -7.437 8.875 1.00 33.51 H new ATOM 0 HB3 LYS X 67 10.082 -8.463 9.283 1.00 33.51 H new ATOM 0 HG2 LYS X 67 9.861 -7.784 11.699 1.00 70.43 H new ATOM 0 HG3 LYS X 67 8.487 -6.778 11.286 1.00 70.43 H new ATOM 0 HD2 LYS X 67 7.256 -8.782 10.427 1.00 74.23 H new ATOM 0 HD3 LYS X 67 8.638 -9.799 10.783 1.00 74.23 H new ATOM 0 HE2 LYS X 67 8.458 -9.194 13.216 1.00 53.22 H new ATOM 0 HE3 LYS X 67 7.078 -8.174 12.861 1.00 53.22 H new ATOM 0 HZ1 LYS X 67 6.375 -10.369 13.607 1.00 44.15 H new ATOM 0 HZ2 LYS X 67 5.894 -10.122 11.998 1.00 44.15 H new ATOM 0 HZ3 LYS X 67 7.230 -11.111 12.342 1.00 44.15 H new ATOM 1167 N LEU X 68 10.471 -6.016 7.038 1.00 31.43 N ATOM 1168 CA LEU X 68 11.097 -5.976 5.683 1.00 72.03 C ATOM 1169 C LEU X 68 12.124 -4.838 5.642 1.00 42.20 C ATOM 1170 O LEU X 68 13.180 -4.960 5.051 1.00 42.12 O ATOM 1171 CB LEU X 68 10.027 -5.708 4.621 1.00 20.21 C ATOM 1172 CG LEU X 68 9.025 -6.863 4.555 1.00 64.23 C ATOM 1173 CD1 LEU X 68 7.842 -6.444 3.677 1.00 74.35 C ATOM 1174 CD2 LEU X 68 9.688 -8.100 3.944 1.00 40.12 C ATOM 0 H LEU X 68 9.481 -5.772 7.067 1.00 31.43 H new ATOM 0 HA LEU X 68 11.579 -6.933 5.482 1.00 72.03 H new ATOM 0 HB2 LEU X 68 9.504 -4.780 4.851 1.00 20.21 H new ATOM 0 HB3 LEU X 68 10.500 -5.575 3.648 1.00 20.21 H new ATOM 0 HG LEU X 68 8.683 -7.102 5.562 1.00 64.23 H new ATOM 0 HD11 LEU X 68 7.122 -7.260 3.623 1.00 74.35 H new ATOM 0 HD12 LEU X 68 7.363 -5.565 4.108 1.00 74.35 H new ATOM 0 HD13 LEU X 68 8.199 -6.208 2.674 1.00 74.35 H new ATOM 0 HD21 LEU X 68 8.967 -8.916 3.902 1.00 40.12 H new ATOM 0 HD22 LEU X 68 10.033 -7.868 2.936 1.00 40.12 H new ATOM 0 HD23 LEU X 68 10.538 -8.398 4.558 1.00 40.12 H new ATOM 1186 N CYS X 69 11.814 -3.728 6.259 1.00 1.33 N ATOM 1187 CA CYS X 69 12.761 -2.574 6.256 1.00 64.55 C ATOM 1188 C CYS X 69 14.080 -2.987 6.913 1.00 14.44 C ATOM 1189 O CYS X 69 15.100 -2.350 6.735 1.00 34.45 O ATOM 1190 CB CYS X 69 12.144 -1.410 7.034 1.00 2.02 C ATOM 1191 SG CYS X 69 11.237 -0.336 5.894 1.00 62.31 S ATOM 0 H CYS X 69 10.943 -3.571 6.766 1.00 1.33 H new ATOM 0 HA CYS X 69 12.953 -2.266 5.228 1.00 64.55 H new ATOM 0 HB2 CYS X 69 11.473 -1.789 7.805 1.00 2.02 H new ATOM 0 HB3 CYS X 69 12.925 -0.843 7.541 1.00 2.02 H new ATOM 0 HG CYS X 69 12.078 0.294 5.130 1.00 62.31 H new ATOM 1197 N LYS X 70 14.066 -4.052 7.667 1.00 70.53 N ATOM 1198 CA LYS X 70 15.313 -4.501 8.347 1.00 4.10 C ATOM 1199 C LYS X 70 15.921 -5.675 7.571 1.00 62.34 C ATOM 1200 O LYS X 70 17.106 -5.932 7.638 1.00 74.54 O ATOM 1201 CB LYS X 70 14.986 -4.964 9.769 1.00 65.10 C ATOM 1202 CG LYS X 70 15.323 -3.859 10.780 1.00 11.24 C ATOM 1203 CD LYS X 70 14.419 -2.647 10.548 1.00 42.51 C ATOM 1204 CE LYS X 70 14.726 -1.572 11.597 1.00 24.42 C ATOM 1205 NZ LYS X 70 13.839 -0.394 11.378 1.00 61.00 N ATOM 0 H LYS X 70 13.244 -4.631 7.841 1.00 70.53 H new ATOM 0 HA LYS X 70 16.020 -3.672 8.383 1.00 4.10 H new ATOM 0 HB2 LYS X 70 13.929 -5.222 9.841 1.00 65.10 H new ATOM 0 HB3 LYS X 70 15.551 -5.866 10.004 1.00 65.10 H new ATOM 0 HG2 LYS X 70 15.193 -4.232 11.796 1.00 11.24 H new ATOM 0 HG3 LYS X 70 16.369 -3.568 10.679 1.00 11.24 H new ATOM 0 HD2 LYS X 70 14.577 -2.248 9.546 1.00 42.51 H new ATOM 0 HD3 LYS X 70 13.372 -2.943 10.611 1.00 42.51 H new ATOM 0 HE2 LYS X 70 14.574 -1.973 12.599 1.00 24.42 H new ATOM 0 HE3 LYS X 70 15.771 -1.271 11.529 1.00 24.42 H new ATOM 0 HZ1 LYS X 70 14.105 0.367 12.035 1.00 61.00 H new ATOM 0 HZ2 LYS X 70 13.943 -0.059 10.399 1.00 61.00 H new ATOM 0 HZ3 LYS X 70 12.850 -0.668 11.547 1.00 61.00 H new ATOM 1219 N GLU X 71 15.109 -6.397 6.844 1.00 24.24 N ATOM 1220 CA GLU X 71 15.621 -7.581 6.088 1.00 14.11 C ATOM 1221 C GLU X 71 16.599 -7.138 4.994 1.00 54.03 C ATOM 1222 O GLU X 71 17.728 -7.582 4.944 1.00 1.11 O ATOM 1223 CB GLU X 71 14.451 -8.315 5.431 1.00 61.12 C ATOM 1224 CG GLU X 71 13.713 -9.156 6.471 1.00 64.43 C ATOM 1225 CD GLU X 71 12.484 -9.805 5.830 1.00 22.04 C ATOM 1226 OE1 GLU X 71 12.346 -9.703 4.623 1.00 50.20 O ATOM 1227 OE2 GLU X 71 11.703 -10.391 6.559 1.00 55.33 O ATOM 0 H GLU X 71 14.110 -6.218 6.740 1.00 24.24 H new ATOM 0 HA GLU X 71 16.136 -8.240 6.787 1.00 14.11 H new ATOM 0 HB2 GLU X 71 13.767 -7.596 4.980 1.00 61.12 H new ATOM 0 HB3 GLU X 71 14.817 -8.954 4.627 1.00 61.12 H new ATOM 0 HG2 GLU X 71 14.376 -9.924 6.869 1.00 64.43 H new ATOM 0 HG3 GLU X 71 13.410 -8.530 7.310 1.00 64.43 H new ATOM 1234 N HIS X 72 16.170 -6.282 4.104 1.00 34.31 N ATOM 1235 CA HIS X 72 17.067 -5.849 2.996 1.00 40.10 C ATOM 1236 C HIS X 72 18.093 -4.837 3.522 1.00 21.44 C ATOM 1237 O HIS X 72 18.896 -4.310 2.776 1.00 41.44 O ATOM 1238 CB HIS X 72 16.228 -5.208 1.888 1.00 73.40 C ATOM 1239 CG HIS X 72 15.371 -4.113 2.465 1.00 41.11 C ATOM 1240 ND1 HIS X 72 15.873 -3.168 3.351 1.00 23.33 N ATOM 1241 CD2 HIS X 72 14.046 -3.793 2.288 1.00 42.33 C ATOM 1242 CE1 HIS X 72 14.864 -2.334 3.669 1.00 1.21 C ATOM 1243 NE2 HIS X 72 13.734 -2.673 3.048 1.00 35.23 N ATOM 0 H HIS X 72 15.239 -5.866 4.098 1.00 34.31 H new ATOM 0 HA HIS X 72 17.596 -6.715 2.598 1.00 40.10 H new ATOM 0 HB2 HIS X 72 16.880 -4.802 1.114 1.00 73.40 H new ATOM 0 HB3 HIS X 72 15.600 -5.962 1.413 1.00 73.40 H new ATOM 0 HD2 HIS X 72 13.354 -4.330 1.656 1.00 42.33 H new ATOM 0 HE1 HIS X 72 14.959 -1.495 4.343 1.00 1.21 H new ATOM 0 HE2 HIS X 72 12.829 -2.207 3.117 1.00 35.23 H new ATOM 1252 N ASN X 73 18.071 -4.564 4.796 1.00 62.51 N ATOM 1253 CA ASN X 73 19.049 -3.596 5.380 1.00 40.03 C ATOM 1254 C ASN X 73 19.291 -2.447 4.400 1.00 50.53 C ATOM 1255 O ASN X 73 20.385 -1.926 4.303 1.00 20.41 O ATOM 1256 CB ASN X 73 20.374 -4.317 5.650 1.00 32.24 C ATOM 1257 CG ASN X 73 20.187 -5.265 6.838 1.00 52.32 C ATOM 1258 OD1 ASN X 73 19.564 -4.838 7.907 1.00 43.45 O flip ATOM 1259 ND2 ASN X 73 20.595 -6.408 6.795 1.00 2.51 N flip ATOM 0 H ASN X 73 17.416 -4.970 5.464 1.00 62.51 H new ATOM 0 HA ASN X 73 18.648 -3.197 6.311 1.00 40.03 H new ATOM 0 HB2 ASN X 73 20.687 -4.875 4.767 1.00 32.24 H new ATOM 0 HB3 ASN X 73 21.160 -3.593 5.865 1.00 32.24 H new ATOM 0 HD21 ASN X 73 21.081 -6.745 5.964 1.00 2.51 H new ATOM 0 HD22 ASN X 73 20.452 -7.031 7.590 1.00 2.51 H new ATOM 1266 N VAL X 74 18.288 -2.044 3.677 1.00 63.43 N ATOM 1267 CA VAL X 74 18.477 -0.923 2.715 1.00 33.33 C ATOM 1268 C VAL X 74 18.239 0.409 3.437 1.00 70.51 C ATOM 1269 O VAL X 74 18.851 1.411 3.130 1.00 55.11 O ATOM 1270 CB VAL X 74 17.486 -1.070 1.561 1.00 14.40 C ATOM 1271 CG1 VAL X 74 17.312 0.273 0.853 1.00 64.23 C ATOM 1272 CG2 VAL X 74 18.016 -2.106 0.567 1.00 4.12 C ATOM 0 H VAL X 74 17.348 -2.439 3.709 1.00 63.43 H new ATOM 0 HA VAL X 74 19.493 -0.944 2.320 1.00 33.33 H new ATOM 0 HB VAL X 74 16.522 -1.396 1.952 1.00 14.40 H new ATOM 0 HG11 VAL X 74 16.604 0.162 0.031 1.00 64.23 H new ATOM 0 HG12 VAL X 74 16.934 1.011 1.560 1.00 64.23 H new ATOM 0 HG13 VAL X 74 18.274 0.605 0.462 1.00 64.23 H new ATOM 0 HG21 VAL X 74 17.311 -2.213 -0.257 1.00 4.12 H new ATOM 0 HG22 VAL X 74 18.981 -1.778 0.179 1.00 4.12 H new ATOM 0 HG23 VAL X 74 18.134 -3.066 1.070 1.00 4.12 H new ATOM 1282 N ASP X 75 17.358 0.421 4.404 1.00 3.11 N ATOM 1283 CA ASP X 75 17.080 1.686 5.145 1.00 25.14 C ATOM 1284 C ASP X 75 16.166 1.402 6.342 1.00 1.24 C ATOM 1285 O ASP X 75 15.876 0.265 6.660 1.00 61.21 O ATOM 1286 CB ASP X 75 16.402 2.691 4.211 1.00 42.25 C ATOM 1287 CG ASP X 75 15.047 2.143 3.754 1.00 44.35 C ATOM 1288 OD1 ASP X 75 14.764 0.995 4.058 1.00 0.10 O ATOM 1289 OD2 ASP X 75 14.319 2.876 3.109 1.00 62.30 O ATOM 0 H ASP X 75 16.820 -0.389 4.712 1.00 3.11 H new ATOM 0 HA ASP X 75 18.021 2.101 5.505 1.00 25.14 H new ATOM 0 HB2 ASP X 75 16.265 3.643 4.724 1.00 42.25 H new ATOM 0 HB3 ASP X 75 17.037 2.883 3.346 1.00 42.25 H new ATOM 1294 N GLU X 76 15.717 2.433 7.012 1.00 41.45 N ATOM 1295 CA GLU X 76 14.826 2.228 8.193 1.00 23.33 C ATOM 1296 C GLU X 76 13.720 3.290 8.209 1.00 42.04 C ATOM 1297 O GLU X 76 12.670 3.119 7.623 1.00 14.43 O ATOM 1298 CB GLU X 76 15.651 2.345 9.479 1.00 54.01 C ATOM 1299 CG GLU X 76 16.596 1.147 9.591 1.00 62.45 C ATOM 1300 CD GLU X 76 17.474 1.303 10.837 1.00 52.23 C ATOM 1301 OE1 GLU X 76 17.285 2.272 11.554 1.00 25.52 O ATOM 1302 OE2 GLU X 76 18.318 0.450 11.054 1.00 11.55 O ATOM 0 H GLU X 76 15.929 3.406 6.792 1.00 41.45 H new ATOM 0 HA GLU X 76 14.374 1.238 8.129 1.00 23.33 H new ATOM 0 HB2 GLU X 76 16.223 3.273 9.474 1.00 54.01 H new ATOM 0 HB3 GLU X 76 14.990 2.383 10.345 1.00 54.01 H new ATOM 0 HG2 GLU X 76 16.022 0.222 9.651 1.00 62.45 H new ATOM 0 HG3 GLU X 76 17.220 1.078 8.700 1.00 62.45 H new ATOM 1309 N ASN X 77 13.948 4.382 8.892 1.00 10.10 N ATOM 1310 CA ASN X 77 12.912 5.455 8.974 1.00 15.13 C ATOM 1311 C ASN X 77 12.460 5.883 7.573 1.00 23.04 C ATOM 1312 O ASN X 77 11.283 6.025 7.314 1.00 63.24 O ATOM 1313 CB ASN X 77 13.488 6.667 9.711 1.00 22.42 C ATOM 1314 CG ASN X 77 14.912 6.945 9.221 1.00 60.52 C ATOM 1315 OD1 ASN X 77 15.795 6.127 9.388 1.00 40.32 O ATOM 1316 ND2 ASN X 77 15.177 8.077 8.629 1.00 51.52 N ATOM 0 H ASN X 77 14.811 4.578 9.399 1.00 10.10 H new ATOM 0 HA ASN X 77 12.051 5.063 9.516 1.00 15.13 H new ATOM 0 HB2 ASN X 77 12.858 7.540 9.541 1.00 22.42 H new ATOM 0 HB3 ASN X 77 13.493 6.482 10.785 1.00 22.42 H new ATOM 0 HD21 ASN X 77 16.124 8.275 8.307 1.00 51.52 H new ATOM 0 HD22 ASN X 77 14.437 8.764 8.488 1.00 51.52 H new ATOM 1323 N ILE X 78 13.377 6.107 6.673 1.00 31.54 N ATOM 1324 CA ILE X 78 12.976 6.537 5.301 1.00 21.51 C ATOM 1325 C ILE X 78 11.887 5.609 4.756 1.00 53.20 C ATOM 1326 O ILE X 78 10.940 6.046 4.133 1.00 50.15 O ATOM 1327 CB ILE X 78 14.188 6.486 4.372 1.00 11.31 C ATOM 1328 CG1 ILE X 78 15.325 7.318 4.970 1.00 65.21 C ATOM 1329 CG2 ILE X 78 13.805 7.057 3.006 1.00 45.30 C ATOM 1330 CD1 ILE X 78 16.598 6.474 5.040 1.00 54.44 C ATOM 0 H ILE X 78 14.381 6.012 6.825 1.00 31.54 H new ATOM 0 HA ILE X 78 12.591 7.556 5.350 1.00 21.51 H new ATOM 0 HB ILE X 78 14.515 5.453 4.257 1.00 11.31 H new ATOM 0 HG12 ILE X 78 15.498 8.206 4.361 1.00 65.21 H new ATOM 0 HG13 ILE X 78 15.051 7.664 5.967 1.00 65.21 H new ATOM 0 HG21 ILE X 78 14.668 7.022 2.342 1.00 45.30 H new ATOM 0 HG22 ILE X 78 12.994 6.467 2.579 1.00 45.30 H new ATOM 0 HG23 ILE X 78 13.479 8.091 3.122 1.00 45.30 H new ATOM 0 HD11 ILE X 78 17.406 7.069 5.466 1.00 54.44 H new ATOM 0 HD12 ILE X 78 16.421 5.600 5.667 1.00 54.44 H new ATOM 0 HD13 ILE X 78 16.876 6.151 4.037 1.00 54.44 H new ATOM 1342 N GLY X 79 12.020 4.329 4.974 1.00 42.22 N ATOM 1343 CA GLY X 79 11.000 3.370 4.459 1.00 32.23 C ATOM 1344 C GLY X 79 9.619 3.699 5.036 1.00 22.41 C ATOM 1345 O GLY X 79 8.660 3.870 4.311 1.00 0.02 O ATOM 0 H GLY X 79 12.792 3.905 5.488 1.00 42.22 H new ATOM 0 HA2 GLY X 79 10.966 3.415 3.370 1.00 32.23 H new ATOM 0 HA3 GLY X 79 11.280 2.352 4.728 1.00 32.23 H new ATOM 1349 N ILE X 80 9.509 3.776 6.334 1.00 5.22 N ATOM 1350 CA ILE X 80 8.180 4.062 6.957 1.00 53.43 C ATOM 1351 C ILE X 80 7.699 5.465 6.566 1.00 35.43 C ATOM 1352 O ILE X 80 6.539 5.676 6.277 1.00 20.13 O ATOM 1353 CB ILE X 80 8.303 3.986 8.477 1.00 52.02 C ATOM 1354 CG1 ILE X 80 8.499 2.530 8.906 1.00 22.24 C ATOM 1355 CG2 ILE X 80 7.028 4.538 9.117 1.00 2.11 C ATOM 1356 CD1 ILE X 80 9.872 2.037 8.437 1.00 1.44 C ATOM 0 H ILE X 80 10.279 3.654 6.991 1.00 5.22 H new ATOM 0 HA ILE X 80 7.461 3.324 6.602 1.00 53.43 H new ATOM 0 HB ILE X 80 9.160 4.576 8.801 1.00 52.02 H new ATOM 0 HG12 ILE X 80 8.422 2.446 9.990 1.00 22.24 H new ATOM 0 HG13 ILE X 80 7.713 1.906 8.481 1.00 22.24 H new ATOM 0 HG21 ILE X 80 7.113 4.485 10.202 1.00 2.11 H new ATOM 0 HG22 ILE X 80 6.889 5.576 8.814 1.00 2.11 H new ATOM 0 HG23 ILE X 80 6.172 3.947 8.791 1.00 2.11 H new ATOM 0 HD11 ILE X 80 10.010 1.000 8.743 1.00 1.44 H new ATOM 0 HD12 ILE X 80 9.932 2.106 7.351 1.00 1.44 H new ATOM 0 HD13 ILE X 80 10.652 2.654 8.883 1.00 1.44 H new ATOM 1368 N LYS X 81 8.580 6.431 6.568 1.00 64.30 N ATOM 1369 CA LYS X 81 8.170 7.821 6.204 1.00 55.13 C ATOM 1370 C LYS X 81 7.521 7.846 4.812 1.00 54.33 C ATOM 1371 O LYS X 81 6.676 8.669 4.527 1.00 3.31 O ATOM 1372 CB LYS X 81 9.402 8.726 6.182 1.00 70.23 C ATOM 1373 CG LYS X 81 8.986 10.179 5.936 1.00 15.45 C ATOM 1374 CD LYS X 81 10.225 11.082 5.948 1.00 32.43 C ATOM 1375 CE LYS X 81 9.804 12.540 5.730 1.00 24.13 C ATOM 1376 NZ LYS X 81 11.011 13.417 5.773 1.00 52.33 N ATOM 0 H LYS X 81 9.565 6.318 6.806 1.00 64.30 H new ATOM 0 HA LYS X 81 7.451 8.173 6.944 1.00 55.13 H new ATOM 0 HB2 LYS X 81 9.936 8.648 7.129 1.00 70.23 H new ATOM 0 HB3 LYS X 81 10.088 8.399 5.401 1.00 70.23 H new ATOM 0 HG2 LYS X 81 8.473 10.263 4.978 1.00 15.45 H new ATOM 0 HG3 LYS X 81 8.283 10.501 6.704 1.00 15.45 H new ATOM 0 HD2 LYS X 81 10.750 10.983 6.898 1.00 32.43 H new ATOM 0 HD3 LYS X 81 10.920 10.773 5.167 1.00 32.43 H new ATOM 0 HE2 LYS X 81 9.299 12.644 4.770 1.00 24.13 H new ATOM 0 HE3 LYS X 81 9.093 12.843 6.498 1.00 24.13 H new ATOM 0 HZ1 LYS X 81 10.727 14.406 5.625 1.00 52.33 H new ATOM 0 HZ2 LYS X 81 11.474 13.325 6.699 1.00 52.33 H new ATOM 0 HZ3 LYS X 81 11.674 13.132 5.024 1.00 52.33 H new ATOM 1390 N ILE X 82 7.923 6.964 3.936 1.00 22.23 N ATOM 1391 CA ILE X 82 7.344 6.952 2.559 1.00 74.43 C ATOM 1392 C ILE X 82 5.991 6.222 2.545 1.00 33.03 C ATOM 1393 O ILE X 82 5.050 6.659 1.914 1.00 10.32 O ATOM 1394 CB ILE X 82 8.310 6.225 1.628 1.00 31.30 C ATOM 1395 CG1 ILE X 82 9.590 7.050 1.479 1.00 71.33 C ATOM 1396 CG2 ILE X 82 7.654 6.046 0.255 1.00 42.12 C ATOM 1397 CD1 ILE X 82 10.660 6.215 0.769 1.00 12.50 C ATOM 0 H ILE X 82 8.629 6.250 4.114 1.00 22.23 H new ATOM 0 HA ILE X 82 7.191 7.980 2.229 1.00 74.43 H new ATOM 0 HB ILE X 82 8.554 5.248 2.045 1.00 31.30 H new ATOM 0 HG12 ILE X 82 9.386 7.957 0.910 1.00 71.33 H new ATOM 0 HG13 ILE X 82 9.949 7.362 2.459 1.00 71.33 H new ATOM 0 HG21 ILE X 82 8.342 5.527 -0.412 1.00 42.12 H new ATOM 0 HG22 ILE X 82 6.741 5.460 0.362 1.00 42.12 H new ATOM 0 HG23 ILE X 82 7.412 7.023 -0.163 1.00 42.12 H new ATOM 0 HD11 ILE X 82 11.571 6.804 0.664 1.00 12.50 H new ATOM 0 HD12 ILE X 82 10.872 5.321 1.355 1.00 12.50 H new ATOM 0 HD13 ILE X 82 10.300 5.925 -0.218 1.00 12.50 H new ATOM 1409 N PHE X 83 5.889 5.117 3.227 1.00 64.12 N ATOM 1410 CA PHE X 83 4.609 4.349 3.223 1.00 4.22 C ATOM 1411 C PHE X 83 3.479 5.215 3.795 1.00 64.44 C ATOM 1412 O PHE X 83 2.449 5.396 3.175 1.00 24.24 O ATOM 1413 CB PHE X 83 4.780 3.092 4.078 1.00 63.22 C ATOM 1414 CG PHE X 83 5.288 1.956 3.222 1.00 31.20 C ATOM 1415 CD1 PHE X 83 4.422 1.304 2.335 1.00 73.41 C ATOM 1416 CD2 PHE X 83 6.629 1.559 3.307 1.00 11.32 C ATOM 1417 CE1 PHE X 83 4.893 0.255 1.537 1.00 33.10 C ATOM 1418 CE2 PHE X 83 7.100 0.508 2.509 1.00 50.33 C ATOM 1419 CZ PHE X 83 6.232 -0.142 1.624 1.00 63.33 C ATOM 0 H PHE X 83 6.637 4.710 3.789 1.00 64.12 H new ATOM 0 HA PHE X 83 4.354 4.068 2.201 1.00 4.22 H new ATOM 0 HB2 PHE X 83 5.479 3.287 4.892 1.00 63.22 H new ATOM 0 HB3 PHE X 83 3.828 2.819 4.534 1.00 63.22 H new ATOM 0 HD1 PHE X 83 3.389 1.611 2.267 1.00 73.41 H new ATOM 0 HD2 PHE X 83 7.299 2.063 3.987 1.00 11.32 H new ATOM 0 HE1 PHE X 83 4.224 -0.248 0.855 1.00 33.10 H new ATOM 0 HE2 PHE X 83 8.133 0.199 2.577 1.00 50.33 H new ATOM 0 HZ PHE X 83 6.596 -0.951 1.008 1.00 63.33 H new ATOM 1429 N GLN X 84 3.665 5.749 4.969 1.00 3.32 N ATOM 1430 CA GLN X 84 2.604 6.593 5.589 1.00 51.11 C ATOM 1431 C GLN X 84 2.077 7.584 4.550 1.00 4.11 C ATOM 1432 O GLN X 84 0.898 7.885 4.504 1.00 74.53 O ATOM 1433 CB GLN X 84 3.212 7.352 6.774 1.00 23.32 C ATOM 1434 CG GLN X 84 4.310 8.299 6.284 1.00 55.20 C ATOM 1435 CD GLN X 84 3.730 9.707 6.136 1.00 32.22 C ATOM 1436 OE1 GLN X 84 3.014 9.986 5.194 1.00 35.30 O ATOM 1437 NE2 GLN X 84 4.015 10.617 7.028 1.00 64.23 N ATOM 0 H GLN X 84 4.510 5.637 5.529 1.00 3.32 H new ATOM 0 HA GLN X 84 1.780 5.970 5.937 1.00 51.11 H new ATOM 0 HB2 GLN X 84 2.436 7.918 7.290 1.00 23.32 H new ATOM 0 HB3 GLN X 84 3.625 6.646 7.495 1.00 23.32 H new ATOM 0 HG2 GLN X 84 5.141 8.307 6.989 1.00 55.20 H new ATOM 0 HG3 GLN X 84 4.706 7.953 5.329 1.00 55.20 H new ATOM 0 HE21 GLN X 84 4.616 10.385 7.819 1.00 64.23 H new ATOM 0 HE22 GLN X 84 3.637 11.560 6.934 1.00 64.23 H new ATOM 1446 N ARG X 85 2.940 8.090 3.710 1.00 53.44 N ATOM 1447 CA ARG X 85 2.494 9.049 2.661 1.00 20.42 C ATOM 1448 C ARG X 85 1.583 8.313 1.665 1.00 64.32 C ATOM 1449 O ARG X 85 0.605 8.855 1.184 1.00 20.32 O ATOM 1450 CB ARG X 85 3.722 9.610 1.925 1.00 51.13 C ATOM 1451 CG ARG X 85 4.543 10.527 2.852 1.00 32.50 C ATOM 1452 CD ARG X 85 5.784 11.038 2.108 1.00 53.45 C ATOM 1453 NE ARG X 85 5.370 11.908 0.968 1.00 74.01 N ATOM 1454 CZ ARG X 85 6.284 12.544 0.274 1.00 41.40 C ATOM 1455 NH1 ARG X 85 7.552 12.300 0.497 1.00 43.13 N ATOM 1456 NH2 ARG X 85 5.952 13.368 -0.688 1.00 33.34 N ATOM 0 H ARG X 85 3.938 7.879 3.706 1.00 53.44 H new ATOM 0 HA ARG X 85 1.945 9.872 3.119 1.00 20.42 H new ATOM 0 HB2 ARG X 85 4.346 8.789 1.572 1.00 51.13 H new ATOM 0 HB3 ARG X 85 3.401 10.168 1.045 1.00 51.13 H new ATOM 0 HG2 ARG X 85 3.933 11.368 3.181 1.00 32.50 H new ATOM 0 HG3 ARG X 85 4.843 9.981 3.747 1.00 32.50 H new ATOM 0 HD2 ARG X 85 6.423 11.598 2.791 1.00 53.45 H new ATOM 0 HD3 ARG X 85 6.371 10.196 1.740 1.00 53.45 H new ATOM 0 HE ARG X 85 4.383 12.007 0.730 1.00 74.01 H new ATOM 0 HH11 ARG X 85 7.823 11.619 1.206 1.00 43.13 H new ATOM 0 HH12 ARG X 85 8.268 12.791 -0.039 1.00 43.13 H new ATOM 0 HH21 ARG X 85 4.969 13.524 -0.909 1.00 33.34 H new ATOM 0 HH22 ARG X 85 6.677 13.853 -1.217 1.00 33.34 H new ATOM 1470 N LEU X 86 1.898 7.082 1.355 1.00 62.43 N ATOM 1471 CA LEU X 86 1.051 6.297 0.403 1.00 30.43 C ATOM 1472 C LEU X 86 -0.304 5.989 1.047 1.00 24.03 C ATOM 1473 O LEU X 86 -1.318 5.910 0.380 1.00 63.14 O ATOM 1474 CB LEU X 86 1.752 4.975 0.068 1.00 45.15 C ATOM 1475 CG LEU X 86 3.115 5.246 -0.574 1.00 44.52 C ATOM 1476 CD1 LEU X 86 3.841 3.923 -0.826 1.00 44.13 C ATOM 1477 CD2 LEU X 86 2.921 5.981 -1.899 1.00 71.33 C ATOM 0 H LEU X 86 2.709 6.583 1.721 1.00 62.43 H new ATOM 0 HA LEU X 86 0.901 6.881 -0.505 1.00 30.43 H new ATOM 0 HB2 LEU X 86 1.880 4.383 0.974 1.00 45.15 H new ATOM 0 HB3 LEU X 86 1.133 4.388 -0.611 1.00 45.15 H new ATOM 0 HG LEU X 86 3.711 5.862 0.099 1.00 44.52 H new ATOM 0 HD11 LEU X 86 4.810 4.121 -1.283 1.00 44.13 H new ATOM 0 HD12 LEU X 86 3.986 3.401 0.120 1.00 44.13 H new ATOM 0 HD13 LEU X 86 3.245 3.302 -1.495 1.00 44.13 H new ATOM 0 HD21 LEU X 86 3.893 6.173 -2.354 1.00 71.33 H new ATOM 0 HD22 LEU X 86 2.320 5.368 -2.571 1.00 71.33 H new ATOM 0 HD23 LEU X 86 2.411 6.928 -1.719 1.00 71.33 H new ATOM 1489 N ILE X 87 -0.330 5.806 2.342 1.00 34.44 N ATOM 1490 CA ILE X 87 -1.616 5.486 3.031 1.00 64.33 C ATOM 1491 C ILE X 87 -2.578 6.672 2.900 1.00 20.30 C ATOM 1492 O ILE X 87 -3.751 6.507 2.630 1.00 4.44 O ATOM 1493 CB ILE X 87 -1.343 5.209 4.512 1.00 43.52 C ATOM 1494 CG1 ILE X 87 -0.281 4.111 4.643 1.00 72.15 C ATOM 1495 CG2 ILE X 87 -2.633 4.758 5.198 1.00 50.02 C ATOM 1496 CD1 ILE X 87 -0.716 2.868 3.861 1.00 42.22 C ATOM 0 H ILE X 87 0.485 5.864 2.953 1.00 34.44 H new ATOM 0 HA ILE X 87 -2.065 4.605 2.572 1.00 64.33 H new ATOM 0 HB ILE X 87 -0.981 6.121 4.988 1.00 43.52 H new ATOM 0 HG12 ILE X 87 0.676 4.472 4.266 1.00 72.15 H new ATOM 0 HG13 ILE X 87 -0.135 3.858 5.693 1.00 72.15 H new ATOM 0 HG21 ILE X 87 -2.435 4.562 6.252 1.00 50.02 H new ATOM 0 HG22 ILE X 87 -3.385 5.542 5.110 1.00 50.02 H new ATOM 0 HG23 ILE X 87 -2.999 3.848 4.722 1.00 50.02 H new ATOM 0 HD11 ILE X 87 0.044 2.092 3.959 1.00 42.22 H new ATOM 0 HD12 ILE X 87 -1.663 2.501 4.258 1.00 42.22 H new ATOM 0 HD13 ILE X 87 -0.839 3.125 2.809 1.00 42.22 H new ATOM 1508 N GLU X 88 -2.088 7.869 3.085 1.00 74.11 N ATOM 1509 CA GLU X 88 -2.967 9.068 2.960 1.00 13.14 C ATOM 1510 C GLU X 88 -3.543 9.126 1.542 1.00 20.12 C ATOM 1511 O GLU X 88 -4.725 9.327 1.346 1.00 40.25 O ATOM 1512 CB GLU X 88 -2.137 10.325 3.232 1.00 42.41 C ATOM 1513 CG GLU X 88 -1.711 10.369 4.701 1.00 45.01 C ATOM 1514 CD GLU X 88 -0.802 11.579 4.930 1.00 12.40 C ATOM 1515 OE1 GLU X 88 -0.574 12.311 3.980 1.00 75.42 O ATOM 1516 OE2 GLU X 88 -0.348 11.753 6.049 1.00 73.00 O ATOM 0 H GLU X 88 -1.115 8.068 3.318 1.00 74.11 H new ATOM 0 HA GLU X 88 -3.784 9.008 3.679 1.00 13.14 H new ATOM 0 HB2 GLU X 88 -1.256 10.334 2.590 1.00 42.41 H new ATOM 0 HB3 GLU X 88 -2.719 11.214 2.988 1.00 42.41 H new ATOM 0 HG2 GLU X 88 -2.589 10.433 5.344 1.00 45.01 H new ATOM 0 HG3 GLU X 88 -1.187 9.451 4.967 1.00 45.01 H new ATOM 1523 N HIS X 89 -2.711 8.946 0.552 1.00 31.35 N ATOM 1524 CA HIS X 89 -3.198 8.978 -0.856 1.00 5.44 C ATOM 1525 C HIS X 89 -4.180 7.822 -1.077 1.00 45.14 C ATOM 1526 O HIS X 89 -5.077 7.903 -1.894 1.00 4.14 O ATOM 1527 CB HIS X 89 -1.995 8.862 -1.801 1.00 2.51 C ATOM 1528 CG HIS X 89 -1.994 7.532 -2.507 1.00 72.25 C ATOM 1529 ND1 HIS X 89 -2.124 6.330 -1.822 1.00 43.44 N ATOM 1530 CD2 HIS X 89 -1.830 7.195 -3.829 1.00 0.55 C ATOM 1531 CE1 HIS X 89 -2.034 5.337 -2.727 1.00 44.21 C ATOM 1532 NE2 HIS X 89 -1.855 5.811 -3.960 1.00 4.33 N ATOM 0 H HIS X 89 -1.711 8.777 0.659 1.00 31.35 H new ATOM 0 HA HIS X 89 -3.716 9.915 -1.059 1.00 5.44 H new ATOM 0 HB2 HIS X 89 -2.024 9.668 -2.534 1.00 2.51 H new ATOM 0 HB3 HIS X 89 -1.070 8.979 -1.236 1.00 2.51 H new ATOM 0 HD1 HIS X 89 -2.262 6.220 -0.817 1.00 43.44 H new ATOM 0 HD2 HIS X 89 -1.702 7.896 -4.640 1.00 0.55 H new ATOM 0 HE1 HIS X 89 -2.099 4.287 -2.484 1.00 44.21 H new ATOM 1541 N ASN X 90 -4.029 6.760 -0.336 1.00 33.24 N ATOM 1542 CA ASN X 90 -4.955 5.601 -0.478 1.00 34.44 C ATOM 1543 C ASN X 90 -6.360 6.036 -0.044 1.00 43.01 C ATOM 1544 O ASN X 90 -7.344 5.737 -0.692 1.00 54.24 O ATOM 1545 CB ASN X 90 -4.464 4.459 0.421 1.00 73.41 C ATOM 1546 CG ASN X 90 -5.202 3.164 0.073 1.00 31.52 C ATOM 1547 OD1 ASN X 90 -6.422 2.983 0.503 1.00 52.44 O flip ATOM 1548 ND2 ASN X 90 -4.668 2.310 -0.606 1.00 43.21 N flip ATOM 0 H ASN X 90 -3.299 6.644 0.367 1.00 33.24 H new ATOM 0 HA ASN X 90 -4.982 5.261 -1.513 1.00 34.44 H new ATOM 0 HB2 ASN X 90 -3.390 4.321 0.294 1.00 73.41 H new ATOM 0 HB3 ASN X 90 -4.631 4.712 1.468 1.00 73.41 H new ATOM 0 HD21 ASN X 90 -3.715 2.448 -0.943 1.00 43.21 H new ATOM 0 HD22 ASN X 90 -5.172 1.454 -0.839 1.00 43.21 H new ATOM 1555 N LYS X 91 -6.455 6.750 1.048 1.00 32.33 N ATOM 1556 CA LYS X 91 -7.788 7.216 1.534 1.00 20.42 C ATOM 1557 C LYS X 91 -8.340 8.258 0.561 1.00 63.20 C ATOM 1558 O LYS X 91 -9.494 8.231 0.186 1.00 0.42 O ATOM 1559 CB LYS X 91 -7.625 7.849 2.926 1.00 40.45 C ATOM 1560 CG LYS X 91 -7.219 6.779 3.947 1.00 72.33 C ATOM 1561 CD LYS X 91 -7.046 7.422 5.331 1.00 21.03 C ATOM 1562 CE LYS X 91 -6.585 6.364 6.340 1.00 2.14 C ATOM 1563 NZ LYS X 91 -6.409 6.995 7.681 1.00 62.21 N ATOM 0 H LYS X 91 -5.663 7.031 1.626 1.00 32.33 H new ATOM 0 HA LYS X 91 -8.476 6.373 1.595 1.00 20.42 H new ATOM 0 HB2 LYS X 91 -6.870 8.634 2.891 1.00 40.45 H new ATOM 0 HB3 LYS X 91 -8.560 8.319 3.232 1.00 40.45 H new ATOM 0 HG2 LYS X 91 -7.978 5.998 3.991 1.00 72.33 H new ATOM 0 HG3 LYS X 91 -6.289 6.302 3.638 1.00 72.33 H new ATOM 0 HD2 LYS X 91 -6.316 8.230 5.278 1.00 21.03 H new ATOM 0 HD3 LYS X 91 -7.988 7.864 5.657 1.00 21.03 H new ATOM 0 HE2 LYS X 91 -7.318 5.559 6.399 1.00 2.14 H new ATOM 0 HE3 LYS X 91 -5.647 5.917 6.011 1.00 2.14 H new ATOM 0 HZ1 LYS X 91 -6.016 6.297 8.344 1.00 62.21 H new ATOM 0 HZ2 LYS X 91 -5.758 7.802 7.602 1.00 62.21 H new ATOM 0 HZ3 LYS X 91 -7.330 7.326 8.033 1.00 62.21 H new ATOM 1577 N ALA X 92 -7.511 9.182 0.160 1.00 21.32 N ATOM 1578 CA ALA X 92 -7.960 10.266 -0.766 1.00 42.04 C ATOM 1579 C ALA X 92 -8.797 9.701 -1.918 1.00 33.21 C ATOM 1580 O ALA X 92 -9.959 10.027 -2.065 1.00 2.23 O ATOM 1581 CB ALA X 92 -6.738 10.965 -1.357 1.00 12.50 C ATOM 0 H ALA X 92 -6.531 9.235 0.436 1.00 21.32 H new ATOM 0 HA ALA X 92 -8.570 10.966 -0.195 1.00 42.04 H new ATOM 0 HB1 ALA X 92 -7.063 11.756 -2.033 1.00 12.50 H new ATOM 0 HB2 ALA X 92 -6.142 11.397 -0.553 1.00 12.50 H new ATOM 0 HB3 ALA X 92 -6.136 10.242 -1.907 1.00 12.50 H new ATOM 1587 N LEU X 93 -8.212 8.889 -2.758 1.00 71.31 N ATOM 1588 CA LEU X 93 -8.964 8.371 -3.938 1.00 42.45 C ATOM 1589 C LEU X 93 -10.019 7.350 -3.494 1.00 72.44 C ATOM 1590 O LEU X 93 -11.006 7.134 -4.169 1.00 45.13 O ATOM 1591 CB LEU X 93 -7.969 7.779 -4.954 1.00 44.10 C ATOM 1592 CG LEU X 93 -7.750 6.272 -4.755 1.00 31.02 C ATOM 1593 CD1 LEU X 93 -7.442 5.964 -3.291 1.00 54.54 C ATOM 1594 CD2 LEU X 93 -8.995 5.503 -5.198 1.00 74.41 C ATOM 0 H LEU X 93 -7.249 8.563 -2.679 1.00 71.31 H new ATOM 0 HA LEU X 93 -9.500 9.186 -4.426 1.00 42.45 H new ATOM 0 HB2 LEU X 93 -8.336 7.959 -5.964 1.00 44.10 H new ATOM 0 HB3 LEU X 93 -7.014 8.296 -4.865 1.00 44.10 H new ATOM 0 HG LEU X 93 -6.900 5.961 -5.362 1.00 31.02 H new ATOM 0 HD11 LEU X 93 -7.290 4.892 -3.169 1.00 54.54 H new ATOM 0 HD12 LEU X 93 -6.539 6.495 -2.990 1.00 54.54 H new ATOM 0 HD13 LEU X 93 -8.277 6.285 -2.668 1.00 54.54 H new ATOM 0 HD21 LEU X 93 -8.833 4.435 -5.054 1.00 74.41 H new ATOM 0 HD22 LEU X 93 -9.851 5.823 -4.604 1.00 74.41 H new ATOM 0 HD23 LEU X 93 -9.190 5.702 -6.252 1.00 74.41 H new ATOM 1606 N GLN X 94 -9.847 6.755 -2.349 1.00 51.33 N ATOM 1607 CA GLN X 94 -10.862 5.786 -1.852 1.00 23.03 C ATOM 1608 C GLN X 94 -12.146 6.547 -1.505 1.00 40.23 C ATOM 1609 O GLN X 94 -13.204 6.289 -2.050 1.00 53.40 O ATOM 1610 CB GLN X 94 -10.325 5.103 -0.594 1.00 63.41 C ATOM 1611 CG GLN X 94 -9.871 3.685 -0.934 1.00 73.30 C ATOM 1612 CD GLN X 94 -9.278 3.021 0.307 1.00 21.33 C ATOM 1613 OE1 GLN X 94 -9.166 3.713 1.409 1.00 53.33 O flip ATOM 1614 NE2 GLN X 94 -8.909 1.862 0.278 1.00 71.02 N flip ATOM 0 H GLN X 94 -9.046 6.898 -1.734 1.00 51.33 H new ATOM 0 HA GLN X 94 -11.070 5.037 -2.616 1.00 23.03 H new ATOM 0 HB2 GLN X 94 -9.491 5.674 -0.186 1.00 63.41 H new ATOM 0 HB3 GLN X 94 -11.098 5.074 0.174 1.00 63.41 H new ATOM 0 HG2 GLN X 94 -10.715 3.101 -1.302 1.00 73.30 H new ATOM 0 HG3 GLN X 94 -9.130 3.712 -1.733 1.00 73.30 H new ATOM 0 HE21 GLN X 94 -8.996 1.320 -0.582 1.00 71.02 H new ATOM 0 HE22 GLN X 94 -8.513 1.432 1.114 1.00 71.02 H new ATOM 1623 N LYS X 95 -12.054 7.486 -0.600 1.00 24.23 N ATOM 1624 CA LYS X 95 -13.261 8.260 -0.184 1.00 52.15 C ATOM 1625 C LYS X 95 -13.788 9.075 -1.371 1.00 54.22 C ATOM 1626 O LYS X 95 -14.980 9.164 -1.593 1.00 63.00 O ATOM 1627 CB LYS X 95 -12.886 9.220 0.956 1.00 20.40 C ATOM 1628 CG LYS X 95 -12.516 8.431 2.219 1.00 31.14 C ATOM 1629 CD LYS X 95 -12.169 9.416 3.344 1.00 23.44 C ATOM 1630 CE LYS X 95 -11.801 8.645 4.615 1.00 42.12 C ATOM 1631 NZ LYS X 95 -11.486 9.612 5.710 1.00 42.02 N ATOM 0 H LYS X 95 -11.189 7.751 -0.128 1.00 24.23 H new ATOM 0 HA LYS X 95 -14.031 7.567 0.154 1.00 52.15 H new ATOM 0 HB2 LYS X 95 -12.047 9.846 0.652 1.00 20.40 H new ATOM 0 HB3 LYS X 95 -13.721 9.887 1.168 1.00 20.40 H new ATOM 0 HG2 LYS X 95 -13.347 7.793 2.521 1.00 31.14 H new ATOM 0 HG3 LYS X 95 -11.668 7.776 2.018 1.00 31.14 H new ATOM 0 HD2 LYS X 95 -11.337 10.051 3.040 1.00 23.44 H new ATOM 0 HD3 LYS X 95 -13.017 10.073 3.539 1.00 23.44 H new ATOM 0 HE2 LYS X 95 -12.626 7.998 4.913 1.00 42.12 H new ATOM 0 HE3 LYS X 95 -10.943 8.000 4.426 1.00 42.12 H new ATOM 0 HZ1 LYS X 95 -11.236 9.089 6.574 1.00 42.02 H new ATOM 0 HZ2 LYS X 95 -10.686 10.211 5.424 1.00 42.02 H new ATOM 0 HZ3 LYS X 95 -12.317 10.209 5.895 1.00 42.02 H new ATOM 1645 N GLN X 96 -12.911 9.677 -2.128 1.00 11.40 N ATOM 1646 CA GLN X 96 -13.360 10.493 -3.293 1.00 62.05 C ATOM 1647 C GLN X 96 -14.005 9.578 -4.339 1.00 13.43 C ATOM 1648 O GLN X 96 -14.994 9.924 -4.957 1.00 11.03 O ATOM 1649 CB GLN X 96 -12.151 11.210 -3.906 1.00 64.24 C ATOM 1650 CG GLN X 96 -11.636 12.278 -2.933 1.00 13.52 C ATOM 1651 CD GLN X 96 -12.672 13.398 -2.796 1.00 51.13 C ATOM 1652 OE1 GLN X 96 -13.336 13.503 -1.784 1.00 64.43 O ATOM 1653 NE2 GLN X 96 -12.836 14.243 -3.776 1.00 43.13 N ATOM 0 H GLN X 96 -11.901 9.639 -1.990 1.00 11.40 H new ATOM 0 HA GLN X 96 -14.090 11.232 -2.964 1.00 62.05 H new ATOM 0 HB2 GLN X 96 -11.361 10.491 -4.123 1.00 64.24 H new ATOM 0 HB3 GLN X 96 -12.431 11.672 -4.853 1.00 64.24 H new ATOM 0 HG2 GLN X 96 -11.439 11.831 -1.959 1.00 13.52 H new ATOM 0 HG3 GLN X 96 -10.691 12.686 -3.293 1.00 13.52 H new ATOM 0 HE21 GLN X 96 -12.278 14.154 -4.625 1.00 43.13 H new ATOM 0 HE22 GLN X 96 -13.522 14.993 -3.693 1.00 43.13 H new ATOM 1662 N TYR X 97 -13.451 8.413 -4.537 1.00 45.25 N ATOM 1663 CA TYR X 97 -14.010 7.466 -5.546 1.00 62.35 C ATOM 1664 C TYR X 97 -15.412 7.022 -5.120 1.00 71.21 C ATOM 1665 O TYR X 97 -16.359 7.108 -5.877 1.00 32.33 O ATOM 1666 CB TYR X 97 -13.092 6.242 -5.641 1.00 1.13 C ATOM 1667 CG TYR X 97 -13.757 5.157 -6.458 1.00 3.32 C ATOM 1668 CD1 TYR X 97 -13.816 5.270 -7.852 1.00 74.04 C ATOM 1669 CD2 TYR X 97 -14.331 4.049 -5.821 1.00 13.24 C ATOM 1670 CE1 TYR X 97 -14.440 4.272 -8.610 1.00 72.10 C ATOM 1671 CE2 TYR X 97 -14.958 3.053 -6.580 1.00 34.51 C ATOM 1672 CZ TYR X 97 -15.015 3.166 -7.973 1.00 72.34 C ATOM 1673 OH TYR X 97 -15.636 2.185 -8.720 1.00 3.11 O ATOM 0 H TYR X 97 -12.628 8.073 -4.039 1.00 45.25 H new ATOM 0 HA TYR X 97 -14.073 7.959 -6.516 1.00 62.35 H new ATOM 0 HB2 TYR X 97 -12.144 6.523 -6.099 1.00 1.13 H new ATOM 0 HB3 TYR X 97 -12.865 5.869 -4.642 1.00 1.13 H new ATOM 0 HD1 TYR X 97 -13.380 6.127 -8.343 1.00 74.04 H new ATOM 0 HD2 TYR X 97 -14.290 3.963 -4.745 1.00 13.24 H new ATOM 0 HE1 TYR X 97 -14.478 4.355 -9.686 1.00 72.10 H new ATOM 0 HE2 TYR X 97 -15.398 2.197 -6.089 1.00 34.51 H new ATOM 0 HH TYR X 97 -15.980 1.488 -8.123 1.00 3.11 H new ATOM 1683 N LEU X 98 -15.550 6.543 -3.911 1.00 51.53 N ATOM 1684 CA LEU X 98 -16.883 6.061 -3.439 1.00 52.20 C ATOM 1685 C LEU X 98 -17.895 7.213 -3.485 1.00 31.31 C ATOM 1686 O LEU X 98 -19.044 7.030 -3.834 1.00 11.44 O ATOM 1687 CB LEU X 98 -16.773 5.557 -1.996 1.00 5.51 C ATOM 1688 CG LEU X 98 -15.977 4.247 -1.934 1.00 12.44 C ATOM 1689 CD1 LEU X 98 -15.784 3.851 -0.468 1.00 73.22 C ATOM 1690 CD2 LEU X 98 -16.741 3.131 -2.653 1.00 2.34 C ATOM 0 H LEU X 98 -14.796 6.465 -3.229 1.00 51.53 H new ATOM 0 HA LEU X 98 -17.214 5.250 -4.088 1.00 52.20 H new ATOM 0 HB2 LEU X 98 -16.287 6.312 -1.379 1.00 5.51 H new ATOM 0 HB3 LEU X 98 -17.770 5.402 -1.584 1.00 5.51 H new ATOM 0 HG LEU X 98 -15.012 4.391 -2.419 1.00 12.44 H new ATOM 0 HD11 LEU X 98 -15.219 2.920 -0.414 1.00 73.22 H new ATOM 0 HD12 LEU X 98 -15.238 4.638 0.053 1.00 73.22 H new ATOM 0 HD13 LEU X 98 -16.757 3.712 0.003 1.00 73.22 H new ATOM 0 HD21 LEU X 98 -16.167 2.206 -2.603 1.00 2.34 H new ATOM 0 HD22 LEU X 98 -17.708 2.984 -2.172 1.00 2.34 H new ATOM 0 HD23 LEU X 98 -16.893 3.408 -3.696 1.00 2.34 H new ATOM 1702 N GLU X 99 -17.475 8.398 -3.119 1.00 14.35 N ATOM 1703 CA GLU X 99 -18.400 9.575 -3.154 1.00 3.22 C ATOM 1704 C GLU X 99 -18.781 9.902 -4.599 1.00 21.54 C ATOM 1705 O GLU X 99 -19.908 10.249 -4.891 1.00 51.21 O ATOM 1706 CB GLU X 99 -17.699 10.791 -2.542 1.00 41.04 C ATOM 1707 CG GLU X 99 -17.604 10.621 -1.022 1.00 60.54 C ATOM 1708 CD GLU X 99 -16.813 11.793 -0.426 1.00 62.22 C ATOM 1709 OE1 GLU X 99 -16.423 12.665 -1.183 1.00 53.14 O ATOM 1710 OE2 GLU X 99 -16.609 11.794 0.778 1.00 11.11 O ATOM 0 H GLU X 99 -16.529 8.603 -2.796 1.00 14.35 H new ATOM 0 HA GLU X 99 -19.299 9.334 -2.587 1.00 3.22 H new ATOM 0 HB2 GLU X 99 -16.702 10.901 -2.968 1.00 41.04 H new ATOM 0 HB3 GLU X 99 -18.250 11.700 -2.782 1.00 41.04 H new ATOM 0 HG2 GLU X 99 -18.602 10.583 -0.586 1.00 60.54 H new ATOM 0 HG3 GLU X 99 -17.115 9.677 -0.780 1.00 60.54 H new ATOM 1717 N GLU X 100 -17.843 9.815 -5.502 1.00 61.42 N ATOM 1718 CA GLU X 100 -18.142 10.141 -6.925 1.00 12.32 C ATOM 1719 C GLU X 100 -19.021 9.052 -7.553 1.00 22.21 C ATOM 1720 O GLU X 100 -19.650 9.263 -8.569 1.00 2.34 O ATOM 1721 CB GLU X 100 -16.825 10.274 -7.697 1.00 31.35 C ATOM 1722 CG GLU X 100 -16.505 8.971 -8.440 1.00 22.13 C ATOM 1723 CD GLU X 100 -17.303 8.912 -9.744 1.00 62.51 C ATOM 1724 OE1 GLU X 100 -17.462 9.949 -10.364 1.00 61.44 O ATOM 1725 OE2 GLU X 100 -17.737 7.830 -10.101 1.00 22.23 O ATOM 0 H GLU X 100 -16.881 9.532 -5.315 1.00 61.42 H new ATOM 0 HA GLU X 100 -18.687 11.084 -6.972 1.00 12.32 H new ATOM 0 HB2 GLU X 100 -16.895 11.097 -8.408 1.00 31.35 H new ATOM 0 HB3 GLU X 100 -16.015 10.515 -7.008 1.00 31.35 H new ATOM 0 HG2 GLU X 100 -15.437 8.915 -8.653 1.00 22.13 H new ATOM 0 HG3 GLU X 100 -16.750 8.114 -7.813 1.00 22.13 H new ATOM 1732 N THR X 101 -19.085 7.895 -6.950 1.00 61.24 N ATOM 1733 CA THR X 101 -19.951 6.817 -7.503 1.00 12.42 C ATOM 1734 C THR X 101 -21.375 6.985 -6.958 1.00 22.32 C ATOM 1735 O THR X 101 -22.344 6.619 -7.598 1.00 34.52 O ATOM 1736 CB THR X 101 -19.404 5.455 -7.080 1.00 52.25 C ATOM 1737 OG1 THR X 101 -18.996 5.517 -5.720 1.00 14.03 O ATOM 1738 CG2 THR X 101 -18.208 5.086 -7.957 1.00 61.11 C ATOM 0 H THR X 101 -18.576 7.651 -6.100 1.00 61.24 H new ATOM 0 HA THR X 101 -19.963 6.880 -8.591 1.00 12.42 H new ATOM 0 HB THR X 101 -20.180 4.698 -7.196 1.00 52.25 H new ATOM 0 HG1 THR X 101 -19.517 6.204 -5.253 1.00 14.03 H new ATOM 0 HG21 THR X 101 -17.820 4.114 -7.653 1.00 61.11 H new ATOM 0 HG22 THR X 101 -18.522 5.041 -9.000 1.00 61.11 H new ATOM 0 HG23 THR X 101 -17.428 5.839 -7.845 1.00 61.11 H new ATOM 1746 N LEU X 102 -21.509 7.548 -5.787 1.00 21.54 N ATOM 1747 CA LEU X 102 -22.869 7.756 -5.204 1.00 51.35 C ATOM 1748 C LEU X 102 -23.581 8.880 -5.972 1.00 34.15 C ATOM 1749 O LEU X 102 -24.792 8.893 -6.087 1.00 25.44 O ATOM 1750 CB LEU X 102 -22.748 8.144 -3.725 1.00 11.21 C ATOM 1751 CG LEU X 102 -22.189 6.963 -2.923 1.00 63.43 C ATOM 1752 CD1 LEU X 102 -21.883 7.410 -1.495 1.00 31.43 C ATOM 1753 CD2 LEU X 102 -23.231 5.837 -2.883 1.00 42.04 C ATOM 0 H LEU X 102 -20.735 7.874 -5.207 1.00 21.54 H new ATOM 0 HA LEU X 102 -23.443 6.833 -5.285 1.00 51.35 H new ATOM 0 HB2 LEU X 102 -22.094 9.010 -3.619 1.00 11.21 H new ATOM 0 HB3 LEU X 102 -23.724 8.432 -3.334 1.00 11.21 H new ATOM 0 HG LEU X 102 -21.275 6.606 -3.398 1.00 63.43 H new ATOM 0 HD11 LEU X 102 -21.486 6.568 -0.928 1.00 31.43 H new ATOM 0 HD12 LEU X 102 -21.147 8.214 -1.515 1.00 31.43 H new ATOM 0 HD13 LEU X 102 -22.798 7.767 -1.022 1.00 31.43 H new ATOM 0 HD21 LEU X 102 -22.836 4.996 -2.313 1.00 42.04 H new ATOM 0 HD22 LEU X 102 -24.142 6.201 -2.408 1.00 42.04 H new ATOM 0 HD23 LEU X 102 -23.456 5.513 -3.899 1.00 42.04 H new ATOM 1765 N GLU X 103 -22.839 9.811 -6.504 1.00 4.00 N ATOM 1766 CA GLU X 103 -23.456 10.938 -7.270 1.00 23.43 C ATOM 1767 C GLU X 103 -24.209 10.386 -8.482 1.00 3.04 C ATOM 1768 O GLU X 103 -25.349 10.730 -8.740 1.00 71.20 O ATOM 1769 CB GLU X 103 -22.349 11.856 -7.783 1.00 51.34 C ATOM 1770 CG GLU X 103 -21.684 12.593 -6.621 1.00 51.21 C ATOM 1771 CD GLU X 103 -20.520 13.423 -7.161 1.00 21.11 C ATOM 1772 OE1 GLU X 103 -20.319 13.407 -8.365 1.00 13.43 O ATOM 1773 OE2 GLU X 103 -19.853 14.061 -6.367 1.00 62.22 O ATOM 0 H GLU X 103 -21.821 9.842 -6.442 1.00 4.00 H new ATOM 0 HA GLU X 103 -24.139 11.481 -6.617 1.00 23.43 H new ATOM 0 HB2 GLU X 103 -21.605 11.271 -8.324 1.00 51.34 H new ATOM 0 HB3 GLU X 103 -22.763 12.576 -8.489 1.00 51.34 H new ATOM 0 HG2 GLU X 103 -22.407 13.238 -6.121 1.00 51.21 H new ATOM 0 HG3 GLU X 103 -21.326 11.880 -5.878 1.00 51.21 H new