USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=18 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= -2.43 F(o=-6.6!,f=-5.7) USER MOD Set 1.2: X 94 GLN : amide:sc= -3.25! K(o=-5.7!,f=-6.6) USER MOD Set 2.1: X 53 ASN :FLIP amide:sc= -1.14 F(o=-6.3!,f=-1.1) USER MOD Set 2.2: X 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: X 39 LYS NZ :NH3+ -159:sc= 1.23 (180deg=0.531) USER MOD Set 3.2: X 97 TYR OH : rot 180:sc= -0.0351 USER MOD Set 4.1: X 4 LYS NZ :NH3+ -151:sc= 0.728 (180deg=0) USER MOD Set 4.2: X 47 GLN : amide:sc= -1.1 K(o=-0.37,f=-6.9!) USER MOD Single : X 10 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.0535) USER MOD Single : X 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 17 ASN : amide:sc= -1.15 K(o=-1.1,f=-5.2!) USER MOD Single : X 18 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00838) USER MOD Single : X 35 ASN : amide:sc= -3.56! C(o=-3.6!,f=-6.7!) USER MOD Single : X 36 SER OG : rot 180:sc= 0 USER MOD Single : X 45 LYS NZ :NH3+ 153:sc= -0.12 (180deg=-0.76) USER MOD Single : X 46 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : X 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 60 TYR OH : rot 103:sc= -2.36! USER MOD Single : X 62 TYR OH : rot -165:sc= -1.9 USER MOD Single : X 67 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.18) USER MOD Single : X 69 CYS SG : rot -31:sc= -3.98! USER MOD Single : X 70 LYS NZ :NH3+ 136:sc= 0.0665 (180deg=0) USER MOD Single : X 72 HIS : no HD1:sc=-0.00643 X(o=-0.0064,f=0) USER MOD Single : X 73 ASN : amide:sc= -0.0297 K(o=-0.03,f=-0.89) USER MOD Single : X 77 ASN :FLIP amide:sc= -0.65! C(o=-8.7!,f=-0.65!) USER MOD Single : X 81 LYS NZ :NH3+ -161:sc= -0.0158 (180deg=-0.196) USER MOD Single : X 84 GLN : amide:sc= -0.422 X(o=-0.42,f=-0.34) USER MOD Single : X 89 HIS : no HD1:sc= -7.61! C(o=-7.6!,f=-11!) USER MOD Single : X 95 LYS NZ :NH3+ 138:sc= -1.1 (180deg=-1.68) USER MOD Single : X 96 GLN : amide:sc= -0.278 X(o=-0.28,f=-0.23) USER MOD Single : X 101 THR OG1 : rot 27:sc= 0.544 USER MOD ----------------------------------------------------------------- ATOM 54 N LYS X 4 -11.785 -11.566 -1.601 1.00 52.15 N ATOM 55 CA LYS X 4 -11.533 -10.512 -2.627 1.00 51.42 C ATOM 56 C LYS X 4 -10.592 -9.441 -2.052 1.00 14.52 C ATOM 57 O LYS X 4 -9.654 -9.014 -2.695 1.00 43.43 O ATOM 58 CB LYS X 4 -12.869 -9.869 -3.024 1.00 63.21 C ATOM 59 CG LYS X 4 -13.720 -10.882 -3.802 1.00 64.34 C ATOM 60 CD LYS X 4 -15.007 -10.205 -4.290 1.00 64.45 C ATOM 61 CE LYS X 4 -15.979 -10.034 -3.119 1.00 62.12 C ATOM 62 NZ LYS X 4 -17.336 -9.694 -3.641 1.00 55.51 N ATOM 0 HA LYS X 4 -11.066 -10.959 -3.505 1.00 51.42 H new ATOM 0 HB2 LYS X 4 -13.403 -9.539 -2.133 1.00 63.21 H new ATOM 0 HB3 LYS X 4 -12.690 -8.984 -3.635 1.00 63.21 H new ATOM 0 HG2 LYS X 4 -13.157 -11.270 -4.651 1.00 64.34 H new ATOM 0 HG3 LYS X 4 -13.963 -11.733 -3.166 1.00 64.34 H new ATOM 0 HD2 LYS X 4 -14.775 -9.234 -4.727 1.00 64.45 H new ATOM 0 HD3 LYS X 4 -15.470 -10.805 -5.074 1.00 64.45 H new ATOM 0 HE2 LYS X 4 -16.023 -10.952 -2.533 1.00 62.12 H new ATOM 0 HE3 LYS X 4 -15.627 -9.247 -2.453 1.00 62.12 H new ATOM 0 HZ1 LYS X 4 -17.845 -9.120 -2.938 1.00 55.51 H new ATOM 0 HZ2 LYS X 4 -17.243 -9.155 -4.526 1.00 55.51 H new ATOM 0 HZ3 LYS X 4 -17.867 -10.569 -3.823 1.00 55.51 H new ATOM 76 N LEU X 5 -10.843 -9.007 -0.845 1.00 23.41 N ATOM 77 CA LEU X 5 -9.975 -7.969 -0.208 1.00 62.04 C ATOM 78 C LEU X 5 -8.584 -8.552 0.055 1.00 43.34 C ATOM 79 O LEU X 5 -7.578 -7.886 -0.090 1.00 44.02 O ATOM 80 CB LEU X 5 -10.619 -7.554 1.120 1.00 62.32 C ATOM 81 CG LEU X 5 -9.724 -6.565 1.875 1.00 22.32 C ATOM 82 CD1 LEU X 5 -10.599 -5.480 2.507 1.00 51.13 C ATOM 83 CD2 LEU X 5 -8.969 -7.303 2.986 1.00 34.41 C ATOM 0 H LEU X 5 -11.619 -9.329 -0.267 1.00 23.41 H new ATOM 0 HA LEU X 5 -9.876 -7.105 -0.865 1.00 62.04 H new ATOM 0 HB2 LEU X 5 -11.592 -7.100 0.931 1.00 62.32 H new ATOM 0 HB3 LEU X 5 -10.794 -8.436 1.736 1.00 62.32 H new ATOM 0 HG LEU X 5 -9.012 -6.116 1.182 1.00 22.32 H new ATOM 0 HD11 LEU X 5 -9.969 -4.773 3.046 1.00 51.13 H new ATOM 0 HD12 LEU X 5 -11.148 -4.955 1.726 1.00 51.13 H new ATOM 0 HD13 LEU X 5 -11.304 -5.939 3.200 1.00 51.13 H new ATOM 0 HD21 LEU X 5 -8.333 -6.599 3.523 1.00 34.41 H new ATOM 0 HD22 LEU X 5 -9.684 -7.747 3.679 1.00 34.41 H new ATOM 0 HD23 LEU X 5 -8.353 -8.088 2.548 1.00 34.41 H new ATOM 95 N ALA X 6 -8.525 -9.794 0.450 1.00 2.22 N ATOM 96 CA ALA X 6 -7.210 -10.435 0.741 1.00 51.22 C ATOM 97 C ALA X 6 -6.328 -10.457 -0.514 1.00 72.23 C ATOM 98 O ALA X 6 -5.290 -9.828 -0.561 1.00 52.14 O ATOM 99 CB ALA X 6 -7.446 -11.871 1.210 1.00 71.23 C ATOM 0 H ALA X 6 -9.337 -10.397 0.585 1.00 2.22 H new ATOM 0 HA ALA X 6 -6.704 -9.860 1.516 1.00 51.22 H new ATOM 0 HB1 ALA X 6 -6.489 -12.346 1.425 1.00 71.23 H new ATOM 0 HB2 ALA X 6 -8.057 -11.863 2.112 1.00 71.23 H new ATOM 0 HB3 ALA X 6 -7.961 -12.429 0.428 1.00 71.23 H new ATOM 105 N GLU X 7 -6.722 -11.187 -1.522 1.00 41.10 N ATOM 106 CA GLU X 7 -5.893 -11.255 -2.760 1.00 41.35 C ATOM 107 C GLU X 7 -5.522 -9.841 -3.219 1.00 43.42 C ATOM 108 O GLU X 7 -4.447 -9.608 -3.737 1.00 11.00 O ATOM 109 CB GLU X 7 -6.683 -11.954 -3.867 1.00 33.42 C ATOM 110 CG GLU X 7 -6.834 -13.441 -3.534 1.00 64.12 C ATOM 111 CD GLU X 7 -7.944 -13.627 -2.498 1.00 4.53 C ATOM 112 OE1 GLU X 7 -9.095 -13.428 -2.851 1.00 73.02 O ATOM 113 OE2 GLU X 7 -7.626 -13.965 -1.371 1.00 54.31 O ATOM 0 H GLU X 7 -7.580 -11.738 -1.542 1.00 41.10 H new ATOM 0 HA GLU X 7 -4.983 -11.816 -2.548 1.00 41.35 H new ATOM 0 HB2 GLU X 7 -7.665 -11.494 -3.972 1.00 33.42 H new ATOM 0 HB3 GLU X 7 -6.172 -11.836 -4.822 1.00 33.42 H new ATOM 0 HG2 GLU X 7 -7.068 -14.004 -4.437 1.00 64.12 H new ATOM 0 HG3 GLU X 7 -5.894 -13.835 -3.148 1.00 64.12 H new ATOM 120 N ILE X 8 -6.405 -8.895 -3.040 1.00 32.53 N ATOM 121 CA ILE X 8 -6.104 -7.498 -3.469 1.00 75.11 C ATOM 122 C ILE X 8 -4.916 -6.950 -2.667 1.00 54.43 C ATOM 123 O ILE X 8 -3.985 -6.399 -3.220 1.00 24.33 O ATOM 124 CB ILE X 8 -7.325 -6.616 -3.214 1.00 31.11 C ATOM 125 CG1 ILE X 8 -8.365 -6.842 -4.315 1.00 1.40 C ATOM 126 CG2 ILE X 8 -6.896 -5.148 -3.208 1.00 51.31 C ATOM 127 CD1 ILE X 8 -9.678 -6.155 -3.928 1.00 75.31 C ATOM 0 H ILE X 8 -7.322 -9.029 -2.615 1.00 32.53 H new ATOM 0 HA ILE X 8 -5.858 -7.496 -4.531 1.00 75.11 H new ATOM 0 HB ILE X 8 -7.763 -6.873 -2.250 1.00 31.11 H new ATOM 0 HG12 ILE X 8 -8.000 -6.444 -5.262 1.00 1.40 H new ATOM 0 HG13 ILE X 8 -8.530 -7.910 -4.460 1.00 1.40 H new ATOM 0 HG21 ILE X 8 -7.765 -4.516 -3.026 1.00 51.31 H new ATOM 0 HG22 ILE X 8 -6.159 -4.987 -2.421 1.00 51.31 H new ATOM 0 HG23 ILE X 8 -6.457 -4.893 -4.173 1.00 51.31 H new ATOM 0 HD11 ILE X 8 -10.418 -6.316 -4.712 1.00 75.31 H new ATOM 0 HD12 ILE X 8 -10.045 -6.574 -2.991 1.00 75.31 H new ATOM 0 HD13 ILE X 8 -9.507 -5.086 -3.805 1.00 75.31 H new ATOM 139 N ARG X 9 -4.944 -7.097 -1.370 1.00 10.22 N ATOM 140 CA ARG X 9 -3.827 -6.572 -0.535 1.00 52.14 C ATOM 141 C ARG X 9 -2.554 -7.386 -0.820 1.00 22.52 C ATOM 142 O ARG X 9 -1.450 -6.942 -0.566 1.00 14.14 O ATOM 143 CB ARG X 9 -4.214 -6.672 0.947 1.00 14.43 C ATOM 144 CG ARG X 9 -5.383 -5.715 1.236 1.00 41.23 C ATOM 145 CD ARG X 9 -5.523 -5.519 2.745 1.00 21.02 C ATOM 146 NE ARG X 9 -6.702 -4.640 3.044 1.00 23.31 N ATOM 147 CZ ARG X 9 -7.130 -4.527 4.275 1.00 73.25 C ATOM 148 NH1 ARG X 9 -6.646 -5.307 5.206 1.00 14.21 N ATOM 149 NH2 ARG X 9 -8.096 -3.693 4.566 1.00 51.23 N ATOM 0 H ARG X 9 -5.693 -7.558 -0.853 1.00 10.22 H new ATOM 0 HA ARG X 9 -3.635 -5.527 -0.778 1.00 52.14 H new ATOM 0 HB2 ARG X 9 -4.499 -7.695 1.192 1.00 14.43 H new ATOM 0 HB3 ARG X 9 -3.360 -6.420 1.575 1.00 14.43 H new ATOM 0 HG2 ARG X 9 -5.210 -4.755 0.749 1.00 41.23 H new ATOM 0 HG3 ARG X 9 -6.308 -6.119 0.824 1.00 41.23 H new ATOM 0 HD2 ARG X 9 -5.646 -6.485 3.235 1.00 21.02 H new ATOM 0 HD3 ARG X 9 -4.614 -5.071 3.147 1.00 21.02 H new ATOM 0 HE ARG X 9 -7.167 -4.133 2.291 1.00 23.31 H new ATOM 0 HH11 ARG X 9 -5.937 -6.001 4.972 1.00 14.21 H new ATOM 0 HH12 ARG X 9 -6.978 -5.221 6.167 1.00 14.21 H new ATOM 0 HH21 ARG X 9 -8.519 -3.127 3.831 1.00 51.23 H new ATOM 0 HH22 ARG X 9 -8.425 -3.610 5.528 1.00 51.23 H new ATOM 163 N LYS X 10 -2.698 -8.565 -1.367 1.00 74.42 N ATOM 164 CA LYS X 10 -1.500 -9.379 -1.722 1.00 44.25 C ATOM 165 C LYS X 10 -0.781 -8.691 -2.885 1.00 60.44 C ATOM 166 O LYS X 10 0.435 -8.681 -2.959 1.00 43.15 O ATOM 167 CB LYS X 10 -1.947 -10.791 -2.134 1.00 52.12 C ATOM 168 CG LYS X 10 -1.782 -11.759 -0.950 1.00 52.31 C ATOM 169 CD LYS X 10 -2.812 -11.422 0.133 1.00 63.24 C ATOM 170 CE LYS X 10 -2.607 -12.338 1.343 1.00 55.55 C ATOM 171 NZ LYS X 10 -3.555 -11.951 2.429 1.00 1.32 N ATOM 0 H LYS X 10 -3.595 -8.999 -1.583 1.00 74.42 H new ATOM 0 HA LYS X 10 -0.826 -9.462 -0.869 1.00 44.25 H new ATOM 0 HB2 LYS X 10 -2.988 -10.772 -2.457 1.00 52.12 H new ATOM 0 HB3 LYS X 10 -1.356 -11.136 -2.982 1.00 52.12 H new ATOM 0 HG2 LYS X 10 -1.915 -12.787 -1.286 1.00 52.31 H new ATOM 0 HG3 LYS X 10 -0.773 -11.684 -0.543 1.00 52.31 H new ATOM 0 HD2 LYS X 10 -2.711 -10.379 0.433 1.00 63.24 H new ATOM 0 HD3 LYS X 10 -3.821 -11.544 -0.261 1.00 63.24 H new ATOM 0 HE2 LYS X 10 -2.770 -13.377 1.057 1.00 55.55 H new ATOM 0 HE3 LYS X 10 -1.580 -12.263 1.699 1.00 55.55 H new ATOM 0 HZ1 LYS X 10 -3.200 -12.303 3.341 1.00 1.32 H new ATOM 0 HZ2 LYS X 10 -3.637 -10.915 2.466 1.00 1.32 H new ATOM 0 HZ3 LYS X 10 -4.490 -12.365 2.238 1.00 1.32 H new ATOM 185 N LYS X 11 -1.525 -8.096 -3.784 1.00 31.31 N ATOM 186 CA LYS X 11 -0.889 -7.369 -4.921 1.00 5.35 C ATOM 187 C LYS X 11 -0.032 -6.242 -4.345 1.00 41.13 C ATOM 188 O LYS X 11 1.075 -5.998 -4.782 1.00 14.40 O ATOM 189 CB LYS X 11 -1.971 -6.778 -5.842 1.00 45.03 C ATOM 190 CG LYS X 11 -2.867 -7.898 -6.387 1.00 21.24 C ATOM 191 CD LYS X 11 -3.496 -7.458 -7.715 1.00 30.51 C ATOM 192 CE LYS X 11 -4.355 -8.593 -8.279 1.00 11.34 C ATOM 193 NZ LYS X 11 -4.887 -8.197 -9.617 1.00 34.04 N ATOM 0 H LYS X 11 -2.545 -8.083 -3.778 1.00 31.31 H new ATOM 0 HA LYS X 11 -0.274 -8.054 -5.505 1.00 5.35 H new ATOM 0 HB2 LYS X 11 -2.573 -6.055 -5.292 1.00 45.03 H new ATOM 0 HB3 LYS X 11 -1.504 -6.241 -6.667 1.00 45.03 H new ATOM 0 HG2 LYS X 11 -2.282 -8.806 -6.534 1.00 21.24 H new ATOM 0 HG3 LYS X 11 -3.648 -8.136 -5.665 1.00 21.24 H new ATOM 0 HD2 LYS X 11 -4.107 -6.568 -7.562 1.00 30.51 H new ATOM 0 HD3 LYS X 11 -2.716 -7.191 -8.427 1.00 30.51 H new ATOM 0 HE2 LYS X 11 -3.762 -9.503 -8.366 1.00 11.34 H new ATOM 0 HE3 LYS X 11 -5.178 -8.813 -7.599 1.00 11.34 H new ATOM 0 HZ1 LYS X 11 -5.471 -8.968 -10.001 1.00 34.04 H new ATOM 0 HZ2 LYS X 11 -5.467 -7.339 -9.520 1.00 34.04 H new ATOM 0 HZ3 LYS X 11 -4.095 -8.008 -10.264 1.00 34.04 H new ATOM 207 N ILE X 12 -0.539 -5.560 -3.349 1.00 43.21 N ATOM 208 CA ILE X 12 0.246 -4.462 -2.713 1.00 73.24 C ATOM 209 C ILE X 12 1.567 -5.042 -2.212 1.00 14.44 C ATOM 210 O ILE X 12 2.602 -4.405 -2.260 1.00 50.33 O ATOM 211 CB ILE X 12 -0.544 -3.885 -1.532 1.00 33.34 C ATOM 212 CG1 ILE X 12 -1.592 -2.885 -2.034 1.00 32.35 C ATOM 213 CG2 ILE X 12 0.414 -3.171 -0.576 1.00 70.11 C ATOM 214 CD1 ILE X 12 -2.432 -3.526 -3.139 1.00 24.34 C ATOM 0 H ILE X 12 -1.464 -5.718 -2.949 1.00 43.21 H new ATOM 0 HA ILE X 12 0.435 -3.668 -3.435 1.00 73.24 H new ATOM 0 HB ILE X 12 -1.047 -4.701 -1.013 1.00 33.34 H new ATOM 0 HG12 ILE X 12 -2.235 -2.574 -1.210 1.00 32.35 H new ATOM 0 HG13 ILE X 12 -1.101 -1.988 -2.412 1.00 32.35 H new ATOM 0 HG21 ILE X 12 -0.148 -2.761 0.263 1.00 70.11 H new ATOM 0 HG22 ILE X 12 1.154 -3.880 -0.205 1.00 70.11 H new ATOM 0 HG23 ILE X 12 0.919 -2.362 -1.104 1.00 70.11 H new ATOM 0 HD11 ILE X 12 -3.175 -2.811 -3.492 1.00 24.34 H new ATOM 0 HD12 ILE X 12 -1.785 -3.815 -3.967 1.00 24.34 H new ATOM 0 HD13 ILE X 12 -2.936 -4.409 -2.747 1.00 24.34 H new ATOM 226 N ASP X 13 1.535 -6.258 -1.736 1.00 63.41 N ATOM 227 CA ASP X 13 2.779 -6.908 -1.236 1.00 21.14 C ATOM 228 C ASP X 13 3.802 -6.958 -2.372 1.00 62.13 C ATOM 229 O ASP X 13 4.967 -6.664 -2.187 1.00 30.12 O ATOM 230 CB ASP X 13 2.449 -8.332 -0.768 1.00 60.11 C ATOM 231 CG ASP X 13 3.607 -8.889 0.063 1.00 41.41 C ATOM 232 OD1 ASP X 13 3.875 -8.334 1.115 1.00 21.15 O ATOM 233 OD2 ASP X 13 4.208 -9.858 -0.369 1.00 24.30 O ATOM 0 H ASP X 13 0.694 -6.832 -1.672 1.00 63.41 H new ATOM 0 HA ASP X 13 3.191 -6.342 -0.401 1.00 21.14 H new ATOM 0 HB2 ASP X 13 1.534 -8.326 -0.175 1.00 60.11 H new ATOM 0 HB3 ASP X 13 2.266 -8.974 -1.630 1.00 60.11 H new ATOM 238 N GLU X 14 3.373 -7.320 -3.552 1.00 22.41 N ATOM 239 CA GLU X 14 4.309 -7.362 -4.710 1.00 31.43 C ATOM 240 C GLU X 14 4.899 -5.967 -4.920 1.00 42.01 C ATOM 241 O GLU X 14 5.993 -5.812 -5.428 1.00 74.03 O ATOM 242 CB GLU X 14 3.548 -7.790 -5.969 1.00 74.51 C ATOM 243 CG GLU X 14 3.123 -9.258 -5.851 1.00 71.42 C ATOM 244 CD GLU X 14 2.312 -9.653 -7.087 1.00 4.10 C ATOM 245 OE1 GLU X 14 2.142 -8.811 -7.953 1.00 4.10 O ATOM 246 OE2 GLU X 14 1.873 -10.789 -7.146 1.00 40.13 O ATOM 0 H GLU X 14 2.412 -7.589 -3.763 1.00 22.41 H new ATOM 0 HA GLU X 14 5.108 -8.077 -4.514 1.00 31.43 H new ATOM 0 HB2 GLU X 14 2.670 -7.159 -6.106 1.00 74.51 H new ATOM 0 HB3 GLU X 14 4.178 -7.655 -6.848 1.00 74.51 H new ATOM 0 HG2 GLU X 14 4.002 -9.896 -5.760 1.00 71.42 H new ATOM 0 HG3 GLU X 14 2.528 -9.404 -4.950 1.00 71.42 H new ATOM 253 N ILE X 15 4.177 -4.948 -4.530 1.00 42.15 N ATOM 254 CA ILE X 15 4.693 -3.555 -4.681 1.00 70.32 C ATOM 255 C ILE X 15 5.564 -3.205 -3.470 1.00 52.54 C ATOM 256 O ILE X 15 6.581 -2.549 -3.589 1.00 64.24 O ATOM 257 CB ILE X 15 3.520 -2.569 -4.751 1.00 11.41 C ATOM 258 CG1 ILE X 15 2.928 -2.557 -6.164 1.00 53.34 C ATOM 259 CG2 ILE X 15 4.017 -1.168 -4.399 1.00 32.34 C ATOM 260 CD1 ILE X 15 2.048 -3.798 -6.361 1.00 64.11 C ATOM 0 H ILE X 15 3.249 -5.021 -4.112 1.00 42.15 H new ATOM 0 HA ILE X 15 5.280 -3.488 -5.597 1.00 70.32 H new ATOM 0 HB ILE X 15 2.750 -2.878 -4.044 1.00 11.41 H new ATOM 0 HG12 ILE X 15 2.339 -1.653 -6.315 1.00 53.34 H new ATOM 0 HG13 ILE X 15 3.728 -2.544 -6.905 1.00 53.34 H new ATOM 0 HG21 ILE X 15 3.186 -0.464 -4.448 1.00 32.34 H new ATOM 0 HG22 ILE X 15 4.431 -1.171 -3.391 1.00 32.34 H new ATOM 0 HG23 ILE X 15 4.789 -0.867 -5.107 1.00 32.34 H new ATOM 0 HD11 ILE X 15 1.627 -3.789 -7.366 1.00 64.11 H new ATOM 0 HD12 ILE X 15 2.651 -4.696 -6.228 1.00 64.11 H new ATOM 0 HD13 ILE X 15 1.240 -3.791 -5.629 1.00 64.11 H new ATOM 272 N ASP X 16 5.167 -3.639 -2.305 1.00 1.41 N ATOM 273 CA ASP X 16 5.955 -3.338 -1.077 1.00 14.24 C ATOM 274 C ASP X 16 7.403 -3.794 -1.274 1.00 21.12 C ATOM 275 O ASP X 16 8.335 -3.039 -1.079 1.00 55.21 O ATOM 276 CB ASP X 16 5.325 -4.077 0.111 1.00 11.34 C ATOM 277 CG ASP X 16 6.169 -3.856 1.369 1.00 20.42 C ATOM 278 OD1 ASP X 16 7.009 -2.971 1.348 1.00 52.11 O ATOM 279 OD2 ASP X 16 5.958 -4.573 2.331 1.00 21.51 O ATOM 0 H ASP X 16 4.325 -4.193 -2.151 1.00 1.41 H new ATOM 0 HA ASP X 16 5.948 -2.266 -0.882 1.00 14.24 H new ATOM 0 HB2 ASP X 16 4.309 -3.718 0.276 1.00 11.34 H new ATOM 0 HB3 ASP X 16 5.255 -5.142 -0.108 1.00 11.34 H new ATOM 284 N ASN X 17 7.601 -5.027 -1.651 1.00 11.55 N ATOM 285 CA ASN X 17 8.985 -5.529 -1.887 1.00 31.14 C ATOM 286 C ASN X 17 9.605 -4.788 -3.073 1.00 52.35 C ATOM 287 O ASN X 17 10.777 -4.471 -3.076 1.00 32.13 O ATOM 288 CB ASN X 17 8.932 -7.023 -2.199 1.00 44.11 C ATOM 289 CG ASN X 17 8.683 -7.810 -0.911 1.00 61.33 C ATOM 290 OD1 ASN X 17 8.836 -7.290 0.178 1.00 45.44 O ATOM 291 ND2 ASN X 17 8.306 -9.061 -0.988 1.00 64.33 N ATOM 0 H ASN X 17 6.861 -5.712 -1.807 1.00 11.55 H new ATOM 0 HA ASN X 17 9.590 -5.359 -0.996 1.00 31.14 H new ATOM 0 HB2 ASN X 17 8.140 -7.226 -2.920 1.00 44.11 H new ATOM 0 HB3 ASN X 17 9.868 -7.342 -2.656 1.00 44.11 H new ATOM 0 HD21 ASN X 17 8.141 -9.597 -0.136 1.00 64.33 H new ATOM 0 HD22 ASN X 17 8.177 -9.500 -1.900 1.00 64.33 H new ATOM 298 N LYS X 18 8.824 -4.530 -4.087 1.00 1.21 N ATOM 299 CA LYS X 18 9.360 -3.854 -5.311 1.00 54.12 C ATOM 300 C LYS X 18 9.898 -2.461 -4.958 1.00 65.11 C ATOM 301 O LYS X 18 10.962 -2.072 -5.393 1.00 30.41 O ATOM 302 CB LYS X 18 8.231 -3.726 -6.342 1.00 42.22 C ATOM 303 CG LYS X 18 8.781 -3.213 -7.677 1.00 44.32 C ATOM 304 CD LYS X 18 7.638 -3.141 -8.699 1.00 51.33 C ATOM 305 CE LYS X 18 8.183 -2.711 -10.066 1.00 41.30 C ATOM 306 NZ LYS X 18 8.458 -1.244 -10.054 1.00 22.15 N ATOM 0 H LYS X 18 7.831 -4.759 -4.123 1.00 1.21 H new ATOM 0 HA LYS X 18 10.176 -4.447 -5.723 1.00 54.12 H new ATOM 0 HB2 LYS X 18 7.751 -4.694 -6.487 1.00 42.22 H new ATOM 0 HB3 LYS X 18 7.466 -3.044 -5.970 1.00 42.22 H new ATOM 0 HG2 LYS X 18 9.229 -2.228 -7.545 1.00 44.32 H new ATOM 0 HG3 LYS X 18 9.567 -3.876 -8.039 1.00 44.32 H new ATOM 0 HD2 LYS X 18 7.151 -4.113 -8.782 1.00 51.33 H new ATOM 0 HD3 LYS X 18 6.881 -2.433 -8.361 1.00 51.33 H new ATOM 0 HE2 LYS X 18 9.096 -3.261 -10.295 1.00 41.30 H new ATOM 0 HE3 LYS X 18 7.462 -2.950 -10.848 1.00 41.30 H new ATOM 0 HZ1 LYS X 18 8.763 -0.940 -11.001 1.00 22.15 H new ATOM 0 HZ2 LYS X 18 7.593 -0.731 -9.788 1.00 22.15 H new ATOM 0 HZ3 LYS X 18 9.209 -1.037 -9.365 1.00 22.15 H new ATOM 320 N ILE X 19 9.170 -1.702 -4.181 1.00 64.10 N ATOM 321 CA ILE X 19 9.642 -0.329 -3.828 1.00 23.24 C ATOM 322 C ILE X 19 10.788 -0.411 -2.813 1.00 73.11 C ATOM 323 O ILE X 19 11.628 0.464 -2.746 1.00 40.50 O ATOM 324 CB ILE X 19 8.479 0.469 -3.236 1.00 73.31 C ATOM 325 CG1 ILE X 19 8.886 1.943 -3.102 1.00 71.33 C ATOM 326 CG2 ILE X 19 8.110 -0.099 -1.865 1.00 73.03 C ATOM 327 CD1 ILE X 19 8.216 2.563 -1.874 1.00 44.32 C ATOM 0 H ILE X 19 8.273 -1.971 -3.777 1.00 64.10 H new ATOM 0 HA ILE X 19 10.005 0.169 -4.727 1.00 23.24 H new ATOM 0 HB ILE X 19 7.614 0.395 -3.895 1.00 73.31 H new ATOM 0 HG12 ILE X 19 9.970 2.023 -3.014 1.00 71.33 H new ATOM 0 HG13 ILE X 19 8.598 2.491 -3.999 1.00 71.33 H new ATOM 0 HG21 ILE X 19 7.281 0.472 -1.446 1.00 73.03 H new ATOM 0 HG22 ILE X 19 7.815 -1.143 -1.971 1.00 73.03 H new ATOM 0 HG23 ILE X 19 8.971 -0.031 -1.199 1.00 73.03 H new ATOM 0 HD11 ILE X 19 8.511 3.609 -1.788 1.00 44.32 H new ATOM 0 HD12 ILE X 19 7.133 2.499 -1.979 1.00 44.32 H new ATOM 0 HD13 ILE X 19 8.526 2.023 -0.979 1.00 44.32 H new ATOM 339 N LEU X 20 10.837 -1.456 -2.033 1.00 24.32 N ATOM 340 CA LEU X 20 11.937 -1.584 -1.033 1.00 24.32 C ATOM 341 C LEU X 20 13.163 -2.198 -1.719 1.00 3.21 C ATOM 342 O LEU X 20 14.235 -2.269 -1.148 1.00 52.12 O ATOM 343 CB LEU X 20 11.494 -2.502 0.111 1.00 61.32 C ATOM 344 CG LEU X 20 10.357 -1.855 0.910 1.00 52.11 C ATOM 345 CD1 LEU X 20 9.729 -2.908 1.826 1.00 42.33 C ATOM 346 CD2 LEU X 20 10.903 -0.710 1.768 1.00 1.53 C ATOM 0 H LEU X 20 10.166 -2.224 -2.044 1.00 24.32 H new ATOM 0 HA LEU X 20 12.181 -0.600 -0.633 1.00 24.32 H new ATOM 0 HB2 LEU X 20 11.164 -3.460 -0.291 1.00 61.32 H new ATOM 0 HB3 LEU X 20 12.339 -2.706 0.769 1.00 61.32 H new ATOM 0 HG LEU X 20 9.611 -1.462 0.219 1.00 52.11 H new ATOM 0 HD11 LEU X 20 8.919 -2.456 2.398 1.00 42.33 H new ATOM 0 HD12 LEU X 20 9.335 -3.726 1.223 1.00 42.33 H new ATOM 0 HD13 LEU X 20 10.485 -3.293 2.510 1.00 42.33 H new ATOM 0 HD21 LEU X 20 10.088 -0.257 2.332 1.00 1.53 H new ATOM 0 HD22 LEU X 20 11.651 -1.098 2.460 1.00 1.53 H new ATOM 0 HD23 LEU X 20 11.360 0.041 1.124 1.00 1.53 H new ATOM 561 N ALA X 32 0.178 4.503 -8.756 1.00 11.53 N ATOM 562 CA ALA X 32 -0.749 3.771 -9.666 1.00 65.33 C ATOM 563 C ALA X 32 -1.157 2.438 -9.031 1.00 53.52 C ATOM 564 O ALA X 32 -2.252 2.293 -8.522 1.00 50.42 O ATOM 565 CB ALA X 32 -0.038 3.505 -10.996 1.00 32.50 C ATOM 0 HA ALA X 32 -1.642 4.373 -9.836 1.00 65.33 H new ATOM 0 HB1 ALA X 32 -0.710 2.970 -11.667 1.00 32.50 H new ATOM 0 HB2 ALA X 32 0.250 4.453 -11.451 1.00 32.50 H new ATOM 0 HB3 ALA X 32 0.853 2.903 -10.818 1.00 32.50 H new ATOM 571 N GLU X 33 -0.287 1.465 -9.054 1.00 12.14 N ATOM 572 CA GLU X 33 -0.638 0.134 -8.483 1.00 34.15 C ATOM 573 C GLU X 33 -1.322 0.327 -7.124 1.00 20.35 C ATOM 574 O GLU X 33 -2.420 -0.141 -6.900 1.00 1.03 O ATOM 575 CB GLU X 33 0.640 -0.694 -8.302 1.00 61.15 C ATOM 576 CG GLU X 33 1.186 -1.115 -9.669 1.00 23.50 C ATOM 577 CD GLU X 33 1.968 0.044 -10.290 1.00 42.02 C ATOM 578 OE1 GLU X 33 1.960 1.115 -9.707 1.00 62.24 O ATOM 579 OE2 GLU X 33 2.557 -0.158 -11.339 1.00 2.42 O ATOM 0 H GLU X 33 0.653 1.535 -9.444 1.00 12.14 H new ATOM 0 HA GLU X 33 -1.316 -0.387 -9.159 1.00 34.15 H new ATOM 0 HB2 GLU X 33 1.389 -0.111 -7.766 1.00 61.15 H new ATOM 0 HB3 GLU X 33 0.430 -1.576 -7.697 1.00 61.15 H new ATOM 0 HG2 GLU X 33 1.832 -1.986 -9.561 1.00 23.50 H new ATOM 0 HG3 GLU X 33 0.366 -1.406 -10.325 1.00 23.50 H new ATOM 586 N ARG X 34 -0.683 1.017 -6.217 1.00 72.02 N ATOM 587 CA ARG X 34 -1.293 1.231 -4.870 1.00 40.04 C ATOM 588 C ARG X 34 -2.653 1.895 -5.035 1.00 13.35 C ATOM 589 O ARG X 34 -3.636 1.477 -4.459 1.00 44.33 O ATOM 590 CB ARG X 34 -0.376 2.136 -4.029 1.00 64.13 C ATOM 591 CG ARG X 34 0.603 1.297 -3.190 1.00 70.43 C ATOM 592 CD ARG X 34 0.038 1.114 -1.797 1.00 31.35 C ATOM 593 NE ARG X 34 -1.430 0.759 -1.834 1.00 20.42 N ATOM 594 CZ ARG X 34 -1.986 0.368 -0.734 1.00 54.30 C ATOM 595 NH1 ARG X 34 -1.259 0.273 0.343 1.00 52.41 N ATOM 596 NH2 ARG X 34 -3.260 0.085 -0.696 1.00 45.20 N ATOM 0 H ARG X 34 0.235 1.442 -6.350 1.00 72.02 H new ATOM 0 HA ARG X 34 -1.414 0.272 -4.366 1.00 40.04 H new ATOM 0 HB2 ARG X 34 0.181 2.805 -4.684 1.00 64.13 H new ATOM 0 HB3 ARG X 34 -0.980 2.763 -3.372 1.00 64.13 H new ATOM 0 HG2 ARG X 34 0.764 0.327 -3.660 1.00 70.43 H new ATOM 0 HG3 ARG X 34 1.573 1.792 -3.139 1.00 70.43 H new ATOM 0 HD2 ARG X 34 0.590 0.329 -1.280 1.00 31.35 H new ATOM 0 HD3 ARG X 34 0.177 2.031 -1.224 1.00 31.35 H new ATOM 0 HE ARG X 34 -1.966 0.826 -2.699 1.00 20.42 H new ATOM 0 HH11 ARG X 34 -0.266 0.506 0.310 1.00 52.41 H new ATOM 0 HH12 ARG X 34 -1.682 -0.034 1.219 1.00 52.41 H new ATOM 0 HH21 ARG X 34 -3.827 0.171 -1.539 1.00 45.20 H new ATOM 0 HH22 ARG X 34 -3.688 -0.223 0.177 1.00 45.20 H new ATOM 610 N ASN X 35 -2.720 2.932 -5.824 1.00 61.23 N ATOM 611 CA ASN X 35 -4.016 3.626 -6.026 1.00 0.11 C ATOM 612 C ASN X 35 -4.989 2.682 -6.748 1.00 14.32 C ATOM 613 O ASN X 35 -6.157 2.602 -6.420 1.00 55.04 O ATOM 614 CB ASN X 35 -3.802 4.886 -6.868 1.00 42.43 C ATOM 615 CG ASN X 35 -5.148 5.560 -7.124 1.00 15.21 C ATOM 616 OD1 ASN X 35 -6.106 4.911 -7.503 1.00 72.22 O ATOM 617 ND2 ASN X 35 -5.261 6.845 -6.941 1.00 2.04 N ATOM 0 H ASN X 35 -1.931 3.326 -6.336 1.00 61.23 H new ATOM 0 HA ASN X 35 -4.431 3.909 -5.059 1.00 0.11 H new ATOM 0 HB2 ASN X 35 -3.132 5.573 -6.351 1.00 42.43 H new ATOM 0 HB3 ASN X 35 -3.326 4.628 -7.814 1.00 42.43 H new ATOM 0 HD21 ASN X 35 -6.153 7.308 -7.115 1.00 2.04 H new ATOM 0 HD22 ASN X 35 -4.458 7.388 -6.623 1.00 2.04 H new ATOM 624 N SER X 36 -4.511 1.956 -7.723 1.00 55.10 N ATOM 625 CA SER X 36 -5.406 1.025 -8.470 1.00 1.15 C ATOM 626 C SER X 36 -6.282 0.264 -7.471 1.00 53.53 C ATOM 627 O SER X 36 -7.423 0.608 -7.241 1.00 51.50 O ATOM 628 CB SER X 36 -4.552 0.031 -9.254 1.00 73.03 C ATOM 629 OG SER X 36 -5.396 -0.785 -10.056 1.00 70.44 O ATOM 0 H SER X 36 -3.540 1.967 -8.034 1.00 55.10 H new ATOM 0 HA SER X 36 -6.037 1.588 -9.158 1.00 1.15 H new ATOM 0 HB2 SER X 36 -3.838 0.564 -9.882 1.00 73.03 H new ATOM 0 HB3 SER X 36 -3.973 -0.588 -8.569 1.00 73.03 H new ATOM 0 HG SER X 36 -4.850 -1.423 -10.562 1.00 70.44 H new ATOM 635 N LEU X 37 -5.749 -0.772 -6.874 1.00 22.01 N ATOM 636 CA LEU X 37 -6.546 -1.560 -5.887 1.00 1.22 C ATOM 637 C LEU X 37 -7.345 -0.601 -4.996 1.00 10.02 C ATOM 638 O LEU X 37 -8.507 -0.816 -4.712 1.00 14.53 O ATOM 639 CB LEU X 37 -5.612 -2.376 -4.986 1.00 40.04 C ATOM 640 CG LEU X 37 -4.971 -3.550 -5.745 1.00 2.42 C ATOM 641 CD1 LEU X 37 -6.046 -4.445 -6.363 1.00 53.04 C ATOM 642 CD2 LEU X 37 -4.055 -3.014 -6.848 1.00 2.43 C ATOM 0 H LEU X 37 -4.797 -1.105 -7.028 1.00 22.01 H new ATOM 0 HA LEU X 37 -7.214 -2.227 -6.432 1.00 1.22 H new ATOM 0 HB2 LEU X 37 -4.830 -1.728 -4.591 1.00 40.04 H new ATOM 0 HB3 LEU X 37 -6.172 -2.757 -4.132 1.00 40.04 H new ATOM 0 HG LEU X 37 -4.388 -4.141 -5.039 1.00 2.42 H new ATOM 0 HD11 LEU X 37 -5.571 -5.269 -6.895 1.00 53.04 H new ATOM 0 HD12 LEU X 37 -6.686 -4.842 -5.575 1.00 53.04 H new ATOM 0 HD13 LEU X 37 -6.648 -3.862 -7.060 1.00 53.04 H new ATOM 0 HD21 LEU X 37 -3.603 -3.849 -7.383 1.00 2.43 H new ATOM 0 HD22 LEU X 37 -4.638 -2.410 -7.543 1.00 2.43 H new ATOM 0 HD23 LEU X 37 -3.271 -2.401 -6.404 1.00 2.43 H new ATOM 654 N ALA X 38 -6.716 0.447 -4.533 1.00 52.33 N ATOM 655 CA ALA X 38 -7.405 1.407 -3.615 1.00 55.24 C ATOM 656 C ALA X 38 -8.837 1.675 -4.088 1.00 43.21 C ATOM 657 O ALA X 38 -9.773 1.639 -3.315 1.00 2.41 O ATOM 658 CB ALA X 38 -6.634 2.727 -3.594 1.00 2.34 C ATOM 0 H ALA X 38 -5.748 0.682 -4.752 1.00 52.33 H new ATOM 0 HA ALA X 38 -7.438 0.971 -2.617 1.00 55.24 H new ATOM 0 HB1 ALA X 38 -7.133 3.429 -2.926 1.00 2.34 H new ATOM 0 HB2 ALA X 38 -5.618 2.549 -3.241 1.00 2.34 H new ATOM 0 HB3 ALA X 38 -6.600 3.145 -4.600 1.00 2.34 H new ATOM 664 N LYS X 39 -9.011 1.960 -5.349 1.00 51.35 N ATOM 665 CA LYS X 39 -10.384 2.197 -5.880 1.00 14.11 C ATOM 666 C LYS X 39 -11.220 0.915 -5.778 1.00 15.30 C ATOM 667 O LYS X 39 -12.323 0.923 -5.270 1.00 51.01 O ATOM 668 CB LYS X 39 -10.283 2.628 -7.346 1.00 14.03 C ATOM 669 CG LYS X 39 -11.688 2.727 -7.952 1.00 21.04 C ATOM 670 CD LYS X 39 -12.151 1.343 -8.411 1.00 32.12 C ATOM 671 CE LYS X 39 -12.721 1.432 -9.829 1.00 71.54 C ATOM 672 NZ LYS X 39 -13.210 0.090 -10.260 1.00 22.11 N ATOM 0 H LYS X 39 -8.261 2.039 -6.036 1.00 51.35 H new ATOM 0 HA LYS X 39 -10.868 2.978 -5.294 1.00 14.11 H new ATOM 0 HB2 LYS X 39 -9.776 3.590 -7.418 1.00 14.03 H new ATOM 0 HB3 LYS X 39 -9.684 1.910 -7.906 1.00 14.03 H new ATOM 0 HG2 LYS X 39 -12.384 3.128 -7.216 1.00 21.04 H new ATOM 0 HG3 LYS X 39 -11.683 3.417 -8.795 1.00 21.04 H new ATOM 0 HD2 LYS X 39 -11.315 0.644 -8.388 1.00 32.12 H new ATOM 0 HD3 LYS X 39 -12.908 0.957 -7.728 1.00 32.12 H new ATOM 0 HE2 LYS X 39 -13.537 2.154 -9.858 1.00 71.54 H new ATOM 0 HE3 LYS X 39 -11.955 1.789 -10.517 1.00 71.54 H new ATOM 0 HZ1 LYS X 39 -13.261 0.056 -11.298 1.00 22.11 H new ATOM 0 HZ2 LYS X 39 -12.555 -0.643 -9.921 1.00 22.11 H new ATOM 0 HZ3 LYS X 39 -14.155 -0.079 -9.861 1.00 22.11 H new ATOM 686 N ASP X 40 -10.703 -0.183 -6.254 1.00 34.42 N ATOM 687 CA ASP X 40 -11.464 -1.459 -6.178 1.00 32.52 C ATOM 688 C ASP X 40 -11.702 -1.825 -4.710 1.00 14.00 C ATOM 689 O ASP X 40 -12.758 -2.306 -4.345 1.00 34.33 O ATOM 690 CB ASP X 40 -10.652 -2.563 -6.864 1.00 53.03 C ATOM 691 CG ASP X 40 -10.806 -2.444 -8.382 1.00 55.24 C ATOM 692 OD1 ASP X 40 -11.618 -1.645 -8.816 1.00 35.04 O ATOM 693 OD2 ASP X 40 -10.110 -3.157 -9.086 1.00 2.04 O ATOM 0 H ASP X 40 -9.785 -0.251 -6.693 1.00 34.42 H new ATOM 0 HA ASP X 40 -12.426 -1.349 -6.678 1.00 32.52 H new ATOM 0 HB2 ASP X 40 -9.601 -2.481 -6.587 1.00 53.03 H new ATOM 0 HB3 ASP X 40 -10.994 -3.542 -6.529 1.00 53.03 H new ATOM 698 N VAL X 41 -10.733 -1.600 -3.867 1.00 65.22 N ATOM 699 CA VAL X 41 -10.901 -1.934 -2.426 1.00 12.21 C ATOM 700 C VAL X 41 -12.065 -1.122 -1.862 1.00 5.34 C ATOM 701 O VAL X 41 -12.911 -1.634 -1.154 1.00 13.04 O ATOM 702 CB VAL X 41 -9.617 -1.585 -1.669 1.00 0.52 C ATOM 703 CG1 VAL X 41 -9.819 -1.836 -0.173 1.00 52.23 C ATOM 704 CG2 VAL X 41 -8.465 -2.458 -2.179 1.00 21.13 C ATOM 0 H VAL X 41 -9.829 -1.198 -4.115 1.00 65.22 H new ATOM 0 HA VAL X 41 -11.106 -2.999 -2.313 1.00 12.21 H new ATOM 0 HB VAL X 41 -9.378 -0.534 -1.833 1.00 0.52 H new ATOM 0 HG11 VAL X 41 -8.904 -1.587 0.364 1.00 52.23 H new ATOM 0 HG12 VAL X 41 -10.636 -1.214 0.193 1.00 52.23 H new ATOM 0 HG13 VAL X 41 -10.061 -2.886 -0.010 1.00 52.23 H new ATOM 0 HG21 VAL X 41 -7.552 -2.208 -1.639 1.00 21.13 H new ATOM 0 HG22 VAL X 41 -8.706 -3.509 -2.018 1.00 21.13 H new ATOM 0 HG23 VAL X 41 -8.317 -2.279 -3.244 1.00 21.13 H new ATOM 714 N ALA X 42 -12.112 0.144 -2.175 1.00 4.32 N ATOM 715 CA ALA X 42 -13.217 1.001 -1.662 1.00 54.02 C ATOM 716 C ALA X 42 -14.554 0.318 -1.950 1.00 54.21 C ATOM 717 O ALA X 42 -15.427 0.252 -1.106 1.00 22.44 O ATOM 718 CB ALA X 42 -13.169 2.361 -2.364 1.00 4.44 C ATOM 0 H ALA X 42 -11.431 0.622 -2.765 1.00 4.32 H new ATOM 0 HA ALA X 42 -13.107 1.146 -0.587 1.00 54.02 H new ATOM 0 HB1 ALA X 42 -13.976 2.991 -1.991 1.00 4.44 H new ATOM 0 HB2 ALA X 42 -12.211 2.841 -2.163 1.00 4.44 H new ATOM 0 HB3 ALA X 42 -13.285 2.220 -3.439 1.00 4.44 H new ATOM 724 N GLU X 43 -14.714 -0.203 -3.136 1.00 64.53 N ATOM 725 CA GLU X 43 -15.980 -0.908 -3.486 1.00 1.42 C ATOM 726 C GLU X 43 -16.246 -2.000 -2.447 1.00 44.31 C ATOM 727 O GLU X 43 -17.231 -1.972 -1.737 1.00 32.33 O ATOM 728 CB GLU X 43 -15.837 -1.546 -4.872 1.00 2.31 C ATOM 729 CG GLU X 43 -17.179 -2.135 -5.317 1.00 34.32 C ATOM 730 CD GLU X 43 -18.168 -1.005 -5.605 1.00 53.12 C ATOM 731 OE1 GLU X 43 -17.744 0.139 -5.618 1.00 10.31 O ATOM 732 OE2 GLU X 43 -19.333 -1.302 -5.804 1.00 2.21 O ATOM 0 H GLU X 43 -14.018 -0.170 -3.881 1.00 64.53 H new ATOM 0 HA GLU X 43 -16.809 -0.200 -3.496 1.00 1.42 H new ATOM 0 HB2 GLU X 43 -15.501 -0.800 -5.592 1.00 2.31 H new ATOM 0 HB3 GLU X 43 -15.078 -2.328 -4.845 1.00 2.31 H new ATOM 0 HG2 GLU X 43 -17.041 -2.746 -6.209 1.00 34.32 H new ATOM 0 HG3 GLU X 43 -17.575 -2.789 -4.540 1.00 34.32 H new ATOM 739 N ILE X 44 -15.369 -2.967 -2.358 1.00 4.10 N ATOM 740 CA ILE X 44 -15.563 -4.069 -1.371 1.00 0.14 C ATOM 741 C ILE X 44 -15.911 -3.472 -0.004 1.00 12.34 C ATOM 742 O ILE X 44 -16.713 -4.011 0.733 1.00 74.11 O ATOM 743 CB ILE X 44 -14.272 -4.877 -1.241 1.00 71.42 C ATOM 744 CG1 ILE X 44 -13.754 -5.290 -2.626 1.00 72.02 C ATOM 745 CG2 ILE X 44 -14.532 -6.126 -0.398 1.00 51.55 C ATOM 746 CD1 ILE X 44 -14.871 -5.960 -3.430 1.00 60.31 C ATOM 0 H ILE X 44 -14.526 -3.040 -2.928 1.00 4.10 H new ATOM 0 HA ILE X 44 -16.370 -4.717 -1.712 1.00 0.14 H new ATOM 0 HB ILE X 44 -13.518 -4.257 -0.756 1.00 71.42 H new ATOM 0 HG12 ILE X 44 -13.386 -4.414 -3.161 1.00 72.02 H new ATOM 0 HG13 ILE X 44 -12.913 -5.975 -2.518 1.00 72.02 H new ATOM 0 HG21 ILE X 44 -13.611 -6.701 -0.306 1.00 51.55 H new ATOM 0 HG22 ILE X 44 -14.876 -5.831 0.593 1.00 51.55 H new ATOM 0 HG23 ILE X 44 -15.295 -6.738 -0.879 1.00 51.55 H new ATOM 0 HD11 ILE X 44 -14.491 -6.248 -4.410 1.00 60.31 H new ATOM 0 HD12 ILE X 44 -15.219 -6.847 -2.900 1.00 60.31 H new ATOM 0 HD13 ILE X 44 -15.700 -5.263 -3.553 1.00 60.31 H new ATOM 758 N LYS X 45 -15.310 -2.363 0.340 1.00 1.40 N ATOM 759 CA LYS X 45 -15.575 -1.747 1.676 1.00 21.12 C ATOM 760 C LYS X 45 -17.063 -1.401 1.784 1.00 34.31 C ATOM 761 O LYS X 45 -17.704 -1.656 2.783 1.00 34.40 O ATOM 762 CB LYS X 45 -14.741 -0.467 1.832 1.00 33.24 C ATOM 763 CG LYS X 45 -13.248 -0.816 1.868 1.00 10.51 C ATOM 764 CD LYS X 45 -12.858 -1.257 3.284 1.00 23.05 C ATOM 765 CE LYS X 45 -11.334 -1.186 3.450 1.00 51.11 C ATOM 766 NZ LYS X 45 -10.887 0.235 3.383 1.00 55.14 N ATOM 0 H LYS X 45 -14.647 -1.856 -0.246 1.00 1.40 H new ATOM 0 HA LYS X 45 -15.302 -2.452 2.461 1.00 21.12 H new ATOM 0 HB2 LYS X 45 -14.944 0.213 1.004 1.00 33.24 H new ATOM 0 HB3 LYS X 45 -15.024 0.052 2.748 1.00 33.24 H new ATOM 0 HG2 LYS X 45 -13.033 -1.613 1.156 1.00 10.51 H new ATOM 0 HG3 LYS X 45 -12.655 0.048 1.569 1.00 10.51 H new ATOM 0 HD2 LYS X 45 -13.343 -0.617 4.021 1.00 23.05 H new ATOM 0 HD3 LYS X 45 -13.206 -2.274 3.467 1.00 23.05 H new ATOM 0 HE2 LYS X 45 -11.042 -1.625 4.404 1.00 51.11 H new ATOM 0 HE3 LYS X 45 -10.846 -1.768 2.668 1.00 51.11 H new ATOM 0 HZ1 LYS X 45 -10.005 0.347 3.923 1.00 55.14 H new ATOM 0 HZ2 LYS X 45 -10.722 0.501 2.391 1.00 55.14 H new ATOM 0 HZ3 LYS X 45 -11.622 0.849 3.789 1.00 55.14 H new ATOM 780 N ASN X 46 -17.616 -0.825 0.751 1.00 43.54 N ATOM 781 CA ASN X 46 -19.060 -0.460 0.773 1.00 12.52 C ATOM 782 C ASN X 46 -19.889 -1.735 0.927 1.00 21.15 C ATOM 783 O ASN X 46 -20.879 -1.766 1.634 1.00 23.45 O ATOM 784 CB ASN X 46 -19.412 0.237 -0.543 1.00 15.12 C ATOM 785 CG ASN X 46 -20.891 0.627 -0.551 1.00 62.51 C ATOM 786 OD1 ASN X 46 -21.393 1.184 0.406 1.00 15.43 O ATOM 787 ND2 ASN X 46 -21.614 0.360 -1.605 1.00 0.30 N ATOM 0 H ASN X 46 -17.126 -0.591 -0.112 1.00 43.54 H new ATOM 0 HA ASN X 46 -19.272 0.211 1.606 1.00 12.52 H new ATOM 0 HB2 ASN X 46 -18.793 1.125 -0.670 1.00 15.12 H new ATOM 0 HB3 ASN X 46 -19.198 -0.424 -1.383 1.00 15.12 H new ATOM 0 HD21 ASN X 46 -22.600 0.619 -1.626 1.00 0.30 H new ATOM 0 HD22 ASN X 46 -21.192 -0.107 -2.408 1.00 0.30 H new ATOM 794 N GLN X 47 -19.482 -2.792 0.279 1.00 12.45 N ATOM 795 CA GLN X 47 -20.245 -4.067 0.377 1.00 32.30 C ATOM 796 C GLN X 47 -19.943 -4.726 1.729 1.00 53.32 C ATOM 797 O GLN X 47 -20.615 -5.651 2.144 1.00 11.43 O ATOM 798 CB GLN X 47 -19.839 -4.997 -0.773 1.00 4.42 C ATOM 799 CG GLN X 47 -18.941 -6.117 -0.245 1.00 51.23 C ATOM 800 CD GLN X 47 -18.370 -6.916 -1.420 1.00 11.44 C ATOM 801 OE1 GLN X 47 -18.212 -8.117 -1.333 1.00 32.55 O ATOM 802 NE2 GLN X 47 -18.056 -6.293 -2.525 1.00 52.11 N ATOM 0 H GLN X 47 -18.653 -2.827 -0.314 1.00 12.45 H new ATOM 0 HA GLN X 47 -21.315 -3.870 0.305 1.00 32.30 H new ATOM 0 HB2 GLN X 47 -20.728 -5.421 -1.240 1.00 4.42 H new ATOM 0 HB3 GLN X 47 -19.314 -4.431 -1.542 1.00 4.42 H new ATOM 0 HG2 GLN X 47 -18.130 -5.697 0.350 1.00 51.23 H new ATOM 0 HG3 GLN X 47 -19.511 -6.774 0.412 1.00 51.23 H new ATOM 0 HE21 GLN X 47 -18.189 -5.284 -2.597 1.00 52.11 H new ATOM 0 HE22 GLN X 47 -17.678 -6.815 -3.315 1.00 52.11 H new ATOM 811 N LEU X 48 -18.949 -4.238 2.428 1.00 23.41 N ATOM 812 CA LEU X 48 -18.619 -4.810 3.768 1.00 23.21 C ATOM 813 C LEU X 48 -19.346 -3.997 4.844 1.00 23.21 C ATOM 814 O LEU X 48 -19.313 -4.320 6.014 1.00 42.10 O ATOM 815 CB LEU X 48 -17.107 -4.732 4.022 1.00 54.43 C ATOM 816 CG LEU X 48 -16.373 -5.801 3.204 1.00 21.10 C ATOM 817 CD1 LEU X 48 -14.879 -5.470 3.172 1.00 62.21 C ATOM 818 CD2 LEU X 48 -16.565 -7.176 3.852 1.00 63.20 C ATOM 0 H LEU X 48 -18.352 -3.468 2.128 1.00 23.41 H new ATOM 0 HA LEU X 48 -18.932 -5.854 3.800 1.00 23.21 H new ATOM 0 HB2 LEU X 48 -16.737 -3.742 3.754 1.00 54.43 H new ATOM 0 HB3 LEU X 48 -16.902 -4.872 5.083 1.00 54.43 H new ATOM 0 HG LEU X 48 -16.776 -5.818 2.191 1.00 21.10 H new ATOM 0 HD11 LEU X 48 -14.351 -6.227 2.592 1.00 62.21 H new ATOM 0 HD12 LEU X 48 -14.733 -4.493 2.712 1.00 62.21 H new ATOM 0 HD13 LEU X 48 -14.488 -5.455 4.189 1.00 62.21 H new ATOM 0 HD21 LEU X 48 -16.041 -7.931 3.266 1.00 63.20 H new ATOM 0 HD22 LEU X 48 -16.163 -7.160 4.865 1.00 63.20 H new ATOM 0 HD23 LEU X 48 -17.628 -7.417 3.887 1.00 63.20 H new ATOM 830 N GLY X 49 -20.006 -2.941 4.448 1.00 31.51 N ATOM 831 CA GLY X 49 -20.756 -2.100 5.429 1.00 52.23 C ATOM 832 C GLY X 49 -19.831 -1.623 6.557 1.00 24.13 C ATOM 833 O GLY X 49 -20.113 -1.826 7.721 1.00 73.55 O ATOM 0 H GLY X 49 -20.059 -2.622 3.481 1.00 31.51 H new ATOM 0 HA2 GLY X 49 -21.190 -1.239 4.920 1.00 52.23 H new ATOM 0 HA3 GLY X 49 -21.583 -2.673 5.848 1.00 52.23 H new ATOM 837 N ILE X 50 -18.742 -0.976 6.232 1.00 13.34 N ATOM 838 CA ILE X 50 -17.826 -0.479 7.305 1.00 11.33 C ATOM 839 C ILE X 50 -17.125 0.798 6.840 1.00 31.52 C ATOM 840 O ILE X 50 -17.065 1.088 5.664 1.00 24.14 O ATOM 841 CB ILE X 50 -16.770 -1.535 7.640 1.00 63.42 C ATOM 842 CG1 ILE X 50 -16.401 -2.335 6.385 1.00 11.22 C ATOM 843 CG2 ILE X 50 -17.324 -2.484 8.701 1.00 32.03 C ATOM 844 CD1 ILE X 50 -15.774 -1.406 5.341 1.00 5.54 C ATOM 0 H ILE X 50 -18.447 -0.771 5.277 1.00 13.34 H new ATOM 0 HA ILE X 50 -18.420 -0.272 8.195 1.00 11.33 H new ATOM 0 HB ILE X 50 -15.877 -1.037 8.017 1.00 63.42 H new ATOM 0 HG12 ILE X 50 -15.702 -3.131 6.643 1.00 11.22 H new ATOM 0 HG13 ILE X 50 -17.290 -2.812 5.973 1.00 11.22 H new ATOM 0 HG21 ILE X 50 -16.574 -3.238 8.942 1.00 32.03 H new ATOM 0 HG22 ILE X 50 -17.573 -1.920 9.600 1.00 32.03 H new ATOM 0 HG23 ILE X 50 -18.220 -2.973 8.319 1.00 32.03 H new ATOM 0 HD11 ILE X 50 -15.514 -1.981 4.452 1.00 5.54 H new ATOM 0 HD12 ILE X 50 -16.487 -0.626 5.073 1.00 5.54 H new ATOM 0 HD13 ILE X 50 -14.874 -0.950 5.754 1.00 5.54 H new ATOM 856 N PRO X 51 -16.617 1.562 7.769 1.00 60.05 N ATOM 857 CA PRO X 51 -15.905 2.842 7.472 1.00 1.24 C ATOM 858 C PRO X 51 -14.726 2.672 6.515 1.00 42.22 C ATOM 859 O PRO X 51 -13.978 1.715 6.597 1.00 64.40 O ATOM 860 CB PRO X 51 -15.428 3.314 8.847 1.00 10.33 C ATOM 861 CG PRO X 51 -16.384 2.696 9.808 1.00 22.02 C ATOM 862 CD PRO X 51 -16.680 1.309 9.242 1.00 33.50 C ATOM 0 HA PRO X 51 -16.558 3.552 6.965 1.00 1.24 H new ATOM 0 HB2 PRO X 51 -14.405 2.993 9.044 1.00 10.33 H new ATOM 0 HB3 PRO X 51 -15.440 4.402 8.919 1.00 10.33 H new ATOM 0 HG2 PRO X 51 -15.951 2.630 10.806 1.00 22.02 H new ATOM 0 HG3 PRO X 51 -17.295 3.289 9.894 1.00 22.02 H new ATOM 0 HD2 PRO X 51 -15.945 0.571 9.562 1.00 33.50 H new ATOM 0 HD3 PRO X 51 -17.658 0.940 9.552 1.00 33.50 H new ATOM 870 N ILE X 52 -14.554 3.598 5.614 1.00 14.31 N ATOM 871 CA ILE X 52 -13.423 3.515 4.647 1.00 61.11 C ATOM 872 C ILE X 52 -12.104 3.659 5.403 1.00 41.22 C ATOM 873 O ILE X 52 -11.152 2.947 5.150 1.00 73.41 O ATOM 874 CB ILE X 52 -13.551 4.648 3.625 1.00 73.23 C ATOM 875 CG1 ILE X 52 -14.932 4.581 2.966 1.00 14.14 C ATOM 876 CG2 ILE X 52 -12.464 4.505 2.556 1.00 4.13 C ATOM 877 CD1 ILE X 52 -15.124 5.788 2.046 1.00 11.52 C ATOM 0 H ILE X 52 -15.153 4.416 5.505 1.00 14.31 H new ATOM 0 HA ILE X 52 -13.446 2.554 4.133 1.00 61.11 H new ATOM 0 HB ILE X 52 -13.433 5.607 4.129 1.00 73.23 H new ATOM 0 HG12 ILE X 52 -15.029 3.658 2.395 1.00 14.14 H new ATOM 0 HG13 ILE X 52 -15.710 4.566 3.730 1.00 14.14 H new ATOM 0 HG21 ILE X 52 -12.559 5.313 1.831 1.00 4.13 H new ATOM 0 HG22 ILE X 52 -11.482 4.553 3.027 1.00 4.13 H new ATOM 0 HG23 ILE X 52 -12.577 3.547 2.049 1.00 4.13 H new ATOM 0 HD11 ILE X 52 -16.108 5.737 1.579 1.00 11.52 H new ATOM 0 HD12 ILE X 52 -15.046 6.706 2.629 1.00 11.52 H new ATOM 0 HD13 ILE X 52 -14.355 5.783 1.274 1.00 11.52 H new ATOM 889 N ASN X 53 -12.037 4.575 6.325 1.00 60.42 N ATOM 890 CA ASN X 53 -10.778 4.763 7.092 1.00 61.31 C ATOM 891 C ASN X 53 -10.504 3.525 7.945 1.00 11.44 C ATOM 892 O ASN X 53 -11.408 2.839 8.380 1.00 10.11 O ATOM 893 CB ASN X 53 -10.894 5.984 8.002 1.00 61.45 C ATOM 894 CG ASN X 53 -9.489 6.538 8.247 1.00 61.14 C ATOM 895 OD1 ASN X 53 -8.591 5.779 8.818 1.00 45.05 O flip ATOM 896 ND2 ASN X 53 -9.197 7.667 7.897 1.00 51.40 N flip ATOM 0 H ASN X 53 -12.800 5.202 6.581 1.00 60.42 H new ATOM 0 HA ASN X 53 -9.959 4.914 6.389 1.00 61.31 H new ATOM 0 HB2 ASN X 53 -11.526 6.743 7.540 1.00 61.45 H new ATOM 0 HB3 ASN X 53 -11.364 5.710 8.947 1.00 61.45 H new ATOM 0 HD21 ASN X 53 -9.897 8.260 7.451 1.00 51.40 H new ATOM 0 HD22 ASN X 53 -8.252 8.020 8.049 1.00 51.40 H new ATOM 903 N ASP X 54 -9.256 3.229 8.184 1.00 24.32 N ATOM 904 CA ASP X 54 -8.923 2.026 8.986 1.00 12.14 C ATOM 905 C ASP X 54 -7.429 2.023 9.318 1.00 12.35 C ATOM 906 O ASP X 54 -6.645 1.333 8.691 1.00 43.33 O ATOM 907 CB ASP X 54 -9.272 0.775 8.185 1.00 21.32 C ATOM 908 CG ASP X 54 -9.273 -0.444 9.107 1.00 1.13 C ATOM 909 OD1 ASP X 54 -9.241 -0.256 10.309 1.00 5.43 O ATOM 910 OD2 ASP X 54 -9.310 -1.549 8.589 1.00 32.35 O ATOM 0 H ASP X 54 -8.455 3.770 7.857 1.00 24.32 H new ATOM 0 HA ASP X 54 -9.495 2.038 9.914 1.00 12.14 H new ATOM 0 HB2 ASP X 54 -10.250 0.891 7.719 1.00 21.32 H new ATOM 0 HB3 ASP X 54 -8.550 0.634 7.380 1.00 21.32 H new ATOM 915 N PRO X 55 -7.047 2.771 10.321 1.00 21.03 N ATOM 916 CA PRO X 55 -5.623 2.878 10.754 1.00 21.34 C ATOM 917 C PRO X 55 -5.088 1.508 11.180 1.00 33.41 C ATOM 918 O PRO X 55 -4.096 1.025 10.666 1.00 61.14 O ATOM 919 CB PRO X 55 -5.677 3.835 11.955 1.00 62.42 C ATOM 920 CG PRO X 55 -7.090 3.784 12.431 1.00 42.13 C ATOM 921 CD PRO X 55 -7.946 3.595 11.184 1.00 2.25 C ATOM 0 HA PRO X 55 -4.964 3.232 9.961 1.00 21.34 H new ATOM 0 HB2 PRO X 55 -4.986 3.524 12.738 1.00 62.42 H new ATOM 0 HB3 PRO X 55 -5.395 4.847 11.665 1.00 62.42 H new ATOM 0 HG2 PRO X 55 -7.236 2.963 13.133 1.00 42.13 H new ATOM 0 HG3 PRO X 55 -7.359 4.702 12.954 1.00 42.13 H new ATOM 0 HD2 PRO X 55 -8.883 3.084 11.404 1.00 2.25 H new ATOM 0 HD3 PRO X 55 -8.204 4.545 10.717 1.00 2.25 H new ATOM 929 N GLU X 56 -5.751 0.873 12.105 1.00 63.51 N ATOM 930 CA GLU X 56 -5.314 -0.478 12.538 1.00 3.53 C ATOM 931 C GLU X 56 -4.637 -1.177 11.356 1.00 54.40 C ATOM 932 O GLU X 56 -3.453 -1.454 11.377 1.00 23.54 O ATOM 933 CB GLU X 56 -6.538 -1.285 12.976 1.00 51.32 C ATOM 934 CG GLU X 56 -7.156 -0.639 14.221 1.00 74.14 C ATOM 935 CD GLU X 56 -6.174 -0.738 15.393 1.00 65.41 C ATOM 936 OE1 GLU X 56 -5.695 -1.831 15.649 1.00 33.24 O ATOM 937 OE2 GLU X 56 -5.916 0.280 16.013 1.00 42.24 O ATOM 0 H GLU X 56 -6.578 1.234 12.580 1.00 63.51 H new ATOM 0 HA GLU X 56 -4.615 -0.399 13.371 1.00 3.53 H new ATOM 0 HB2 GLU X 56 -7.271 -1.321 12.170 1.00 51.32 H new ATOM 0 HB3 GLU X 56 -6.251 -2.314 13.192 1.00 51.32 H new ATOM 0 HG2 GLU X 56 -7.395 0.406 14.021 1.00 74.14 H new ATOM 0 HG3 GLU X 56 -8.092 -1.137 14.475 1.00 74.14 H new ATOM 944 N ARG X 57 -5.382 -1.445 10.320 1.00 42.50 N ATOM 945 CA ARG X 57 -4.796 -2.110 9.119 1.00 23.52 C ATOM 946 C ARG X 57 -3.543 -1.347 8.694 1.00 42.32 C ATOM 947 O ARG X 57 -2.505 -1.926 8.443 1.00 23.12 O ATOM 948 CB ARG X 57 -5.827 -2.090 7.984 1.00 61.41 C ATOM 949 CG ARG X 57 -5.923 -3.465 7.313 1.00 31.52 C ATOM 950 CD ARG X 57 -4.677 -3.733 6.482 1.00 25.44 C ATOM 951 NE ARG X 57 -4.807 -3.067 5.148 1.00 35.13 N ATOM 952 CZ ARG X 57 -3.761 -2.964 4.364 1.00 34.15 C ATOM 953 NH1 ARG X 57 -2.580 -3.313 4.800 1.00 23.23 N ATOM 954 NH2 ARG X 57 -3.887 -2.490 3.153 1.00 33.11 N ATOM 0 H ARG X 57 -6.377 -1.231 10.252 1.00 42.50 H new ATOM 0 HA ARG X 57 -4.533 -3.142 9.349 1.00 23.52 H new ATOM 0 HB2 ARG X 57 -6.802 -1.803 8.377 1.00 61.41 H new ATOM 0 HB3 ARG X 57 -5.547 -1.338 7.246 1.00 61.41 H new ATOM 0 HG2 ARG X 57 -6.037 -4.240 8.071 1.00 31.52 H new ATOM 0 HG3 ARG X 57 -6.808 -3.507 6.678 1.00 31.52 H new ATOM 0 HD2 ARG X 57 -3.795 -3.359 7.001 1.00 25.44 H new ATOM 0 HD3 ARG X 57 -4.539 -4.806 6.351 1.00 25.44 H new ATOM 0 HE ARG X 57 -5.708 -2.694 4.849 1.00 35.13 H new ATOM 0 HH11 ARG X 57 -2.471 -3.666 5.751 1.00 23.23 H new ATOM 0 HH12 ARG X 57 -1.767 -3.233 4.190 1.00 23.23 H new ATOM 0 HH21 ARG X 57 -4.803 -2.198 2.813 1.00 33.11 H new ATOM 0 HH22 ARG X 57 -3.069 -2.412 2.548 1.00 33.11 H new ATOM 968 N GLU X 58 -3.631 -0.044 8.625 1.00 10.34 N ATOM 969 CA GLU X 58 -2.447 0.767 8.228 1.00 43.15 C ATOM 970 C GLU X 58 -1.347 0.584 9.280 1.00 1.52 C ATOM 971 O GLU X 58 -0.176 0.500 8.960 1.00 40.32 O ATOM 972 CB GLU X 58 -2.848 2.244 8.144 1.00 11.53 C ATOM 973 CG GLU X 58 -3.968 2.414 7.111 1.00 4.04 C ATOM 974 CD GLU X 58 -4.463 3.862 7.127 1.00 53.24 C ATOM 975 OE1 GLU X 58 -3.832 4.675 7.778 1.00 11.33 O ATOM 976 OE2 GLU X 58 -5.466 4.133 6.486 1.00 11.11 O ATOM 0 H GLU X 58 -4.475 0.492 8.827 1.00 10.34 H new ATOM 0 HA GLU X 58 -2.079 0.442 7.255 1.00 43.15 H new ATOM 0 HB2 GLU X 58 -3.183 2.597 9.120 1.00 11.53 H new ATOM 0 HB3 GLU X 58 -1.986 2.850 7.864 1.00 11.53 H new ATOM 0 HG2 GLU X 58 -3.603 2.154 6.117 1.00 4.04 H new ATOM 0 HG3 GLU X 58 -4.790 1.735 7.336 1.00 4.04 H new ATOM 983 N LYS X 59 -1.715 0.508 10.534 1.00 31.41 N ATOM 984 CA LYS X 59 -0.694 0.321 11.606 1.00 23.11 C ATOM 985 C LYS X 59 0.004 -1.025 11.383 1.00 32.34 C ATOM 986 O LYS X 59 1.206 -1.148 11.521 1.00 74.50 O ATOM 987 CB LYS X 59 -1.384 0.322 12.980 1.00 70.02 C ATOM 988 CG LYS X 59 -2.073 1.673 13.223 1.00 55.05 C ATOM 989 CD LYS X 59 -1.026 2.790 13.254 1.00 62.22 C ATOM 990 CE LYS X 59 -1.612 4.025 13.943 1.00 50.01 C ATOM 991 NZ LYS X 59 -0.577 5.096 14.017 1.00 3.40 N ATOM 0 H LYS X 59 -2.679 0.568 10.861 1.00 31.41 H new ATOM 0 HA LYS X 59 0.035 1.131 11.574 1.00 23.11 H new ATOM 0 HB2 LYS X 59 -2.117 -0.483 13.028 1.00 70.02 H new ATOM 0 HB3 LYS X 59 -0.651 0.132 13.764 1.00 70.02 H new ATOM 0 HG2 LYS X 59 -2.802 1.867 12.436 1.00 55.05 H new ATOM 0 HG3 LYS X 59 -2.620 1.648 14.165 1.00 55.05 H new ATOM 0 HD2 LYS X 59 -0.136 2.453 13.785 1.00 62.22 H new ATOM 0 HD3 LYS X 59 -0.716 3.040 12.239 1.00 62.22 H new ATOM 0 HE2 LYS X 59 -2.481 4.383 13.392 1.00 50.01 H new ATOM 0 HE3 LYS X 59 -1.954 3.767 14.945 1.00 50.01 H new ATOM 0 HZ1 LYS X 59 -0.977 5.934 14.485 1.00 3.40 H new ATOM 0 HZ2 LYS X 59 0.240 4.752 14.561 1.00 3.40 H new ATOM 0 HZ3 LYS X 59 -0.271 5.350 13.056 1.00 3.40 H new ATOM 1005 N TYR X 60 -0.753 -2.033 11.029 1.00 42.01 N ATOM 1006 CA TYR X 60 -0.162 -3.380 10.776 1.00 51.15 C ATOM 1007 C TYR X 60 0.897 -3.263 9.676 1.00 2.02 C ATOM 1008 O TYR X 60 1.949 -3.867 9.744 1.00 64.33 O ATOM 1009 CB TYR X 60 -1.277 -4.339 10.337 1.00 13.51 C ATOM 1010 CG TYR X 60 -0.689 -5.633 9.826 1.00 65.44 C ATOM 1011 CD1 TYR X 60 -0.442 -6.689 10.714 1.00 14.42 C ATOM 1012 CD2 TYR X 60 -0.407 -5.786 8.463 1.00 34.21 C ATOM 1013 CE1 TYR X 60 0.089 -7.895 10.238 1.00 20.13 C ATOM 1014 CE2 TYR X 60 0.126 -6.992 7.988 1.00 73.12 C ATOM 1015 CZ TYR X 60 0.374 -8.046 8.876 1.00 21.11 C ATOM 1016 OH TYR X 60 0.899 -9.234 8.407 1.00 20.33 O ATOM 0 H TYR X 60 -1.764 -1.978 10.904 1.00 42.01 H new ATOM 0 HA TYR X 60 0.306 -3.764 11.682 1.00 51.15 H new ATOM 0 HB2 TYR X 60 -1.943 -4.541 11.176 1.00 13.51 H new ATOM 0 HB3 TYR X 60 -1.880 -3.873 9.557 1.00 13.51 H new ATOM 0 HD1 TYR X 60 -0.661 -6.573 11.765 1.00 14.42 H new ATOM 0 HD2 TYR X 60 -0.600 -4.974 7.777 1.00 34.21 H new ATOM 0 HE1 TYR X 60 0.279 -8.709 10.922 1.00 20.13 H new ATOM 0 HE2 TYR X 60 0.345 -7.108 6.937 1.00 73.12 H new ATOM 0 HH TYR X 60 0.194 -9.751 7.965 1.00 20.33 H new ATOM 1026 N ILE X 61 0.626 -2.475 8.667 1.00 15.44 N ATOM 1027 CA ILE X 61 1.610 -2.306 7.555 1.00 42.41 C ATOM 1028 C ILE X 61 2.898 -1.686 8.111 1.00 21.11 C ATOM 1029 O ILE X 61 3.992 -2.060 7.734 1.00 23.35 O ATOM 1030 CB ILE X 61 1.024 -1.368 6.495 1.00 73.44 C ATOM 1031 CG1 ILE X 61 0.033 -2.132 5.604 1.00 2.41 C ATOM 1032 CG2 ILE X 61 2.156 -0.801 5.640 1.00 0.51 C ATOM 1033 CD1 ILE X 61 0.787 -2.896 4.512 1.00 15.23 C ATOM 0 H ILE X 61 -0.236 -1.940 8.565 1.00 15.44 H new ATOM 0 HA ILE X 61 1.826 -3.277 7.109 1.00 42.41 H new ATOM 0 HB ILE X 61 0.496 -0.553 6.989 1.00 73.44 H new ATOM 0 HG12 ILE X 61 -0.550 -2.827 6.208 1.00 2.41 H new ATOM 0 HG13 ILE X 61 -0.672 -1.435 5.150 1.00 2.41 H new ATOM 0 HG21 ILE X 61 1.742 -0.133 4.885 1.00 0.51 H new ATOM 0 HG22 ILE X 61 2.848 -0.247 6.274 1.00 0.51 H new ATOM 0 HG23 ILE X 61 2.686 -1.618 5.151 1.00 0.51 H new ATOM 0 HD11 ILE X 61 0.075 -3.434 3.886 1.00 15.23 H new ATOM 0 HD12 ILE X 61 1.350 -2.193 3.898 1.00 15.23 H new ATOM 0 HD13 ILE X 61 1.474 -3.606 4.973 1.00 15.23 H new ATOM 1045 N TYR X 62 2.773 -0.744 9.010 1.00 12.33 N ATOM 1046 CA TYR X 62 3.983 -0.087 9.583 1.00 32.53 C ATOM 1047 C TYR X 62 4.917 -1.165 10.144 1.00 31.32 C ATOM 1048 O TYR X 62 6.114 -1.141 9.927 1.00 63.12 O ATOM 1049 CB TYR X 62 3.561 0.875 10.708 1.00 13.11 C ATOM 1050 CG TYR X 62 3.174 2.216 10.120 1.00 61.33 C ATOM 1051 CD1 TYR X 62 2.315 2.280 9.012 1.00 44.50 C ATOM 1052 CD2 TYR X 62 3.666 3.396 10.689 1.00 75.34 C ATOM 1053 CE1 TYR X 62 1.953 3.523 8.479 1.00 2.24 C ATOM 1054 CE2 TYR X 62 3.305 4.641 10.152 1.00 22.40 C ATOM 1055 CZ TYR X 62 2.449 4.704 9.049 1.00 0.03 C ATOM 1056 OH TYR X 62 2.090 5.929 8.524 1.00 34.21 O ATOM 0 H TYR X 62 1.883 -0.402 9.372 1.00 12.33 H new ATOM 0 HA TYR X 62 4.501 0.477 8.808 1.00 32.53 H new ATOM 0 HB2 TYR X 62 2.722 0.455 11.262 1.00 13.11 H new ATOM 0 HB3 TYR X 62 4.379 1.001 11.417 1.00 13.11 H new ATOM 0 HD1 TYR X 62 1.933 1.371 8.571 1.00 44.50 H new ATOM 0 HD2 TYR X 62 4.325 3.348 11.543 1.00 75.34 H new ATOM 0 HE1 TYR X 62 1.291 3.572 7.627 1.00 2.24 H new ATOM 0 HE2 TYR X 62 3.688 5.550 10.591 1.00 22.40 H new ATOM 0 HH TYR X 62 2.692 6.622 8.869 1.00 34.21 H new ATOM 1066 N ASP X 63 4.375 -2.109 10.862 1.00 1.25 N ATOM 1067 CA ASP X 63 5.213 -3.192 11.447 1.00 21.15 C ATOM 1068 C ASP X 63 5.733 -4.093 10.323 1.00 72.11 C ATOM 1069 O ASP X 63 6.820 -4.635 10.400 1.00 13.14 O ATOM 1070 CB ASP X 63 4.355 -4.015 12.417 1.00 3.44 C ATOM 1071 CG ASP X 63 5.255 -4.897 13.287 1.00 15.21 C ATOM 1072 OD1 ASP X 63 6.062 -4.352 14.021 1.00 24.11 O ATOM 1073 OD2 ASP X 63 5.117 -6.107 13.203 1.00 33.55 O ATOM 0 H ASP X 63 3.379 -2.177 11.070 1.00 1.25 H new ATOM 0 HA ASP X 63 6.060 -2.762 11.982 1.00 21.15 H new ATOM 0 HB2 ASP X 63 3.763 -3.351 13.047 1.00 3.44 H new ATOM 0 HB3 ASP X 63 3.653 -4.635 11.859 1.00 3.44 H new ATOM 1078 N ARG X 64 4.959 -4.254 9.273 1.00 42.41 N ATOM 1079 CA ARG X 64 5.384 -5.132 8.136 1.00 71.21 C ATOM 1080 C ARG X 64 6.589 -4.506 7.429 1.00 62.30 C ATOM 1081 O ARG X 64 7.608 -5.140 7.235 1.00 72.05 O ATOM 1082 CB ARG X 64 4.217 -5.281 7.137 1.00 20.55 C ATOM 1083 CG ARG X 64 4.694 -6.039 5.885 1.00 10.10 C ATOM 1084 CD ARG X 64 3.534 -6.177 4.886 1.00 10.04 C ATOM 1085 NE ARG X 64 2.461 -7.060 5.482 1.00 70.41 N ATOM 1086 CZ ARG X 64 2.646 -8.327 5.625 1.00 4.21 C ATOM 1087 NH1 ARG X 64 3.787 -8.814 5.305 1.00 44.51 N ATOM 1088 NH2 ARG X 64 1.692 -9.098 6.108 1.00 22.00 N ATOM 0 H ARG X 64 4.047 -3.812 9.156 1.00 42.41 H new ATOM 0 HA ARG X 64 5.660 -6.114 8.519 1.00 71.21 H new ATOM 0 HB2 ARG X 64 3.392 -5.817 7.605 1.00 20.55 H new ATOM 0 HB3 ARG X 64 3.839 -4.298 6.856 1.00 20.55 H new ATOM 0 HG2 ARG X 64 5.524 -5.507 5.421 1.00 10.10 H new ATOM 0 HG3 ARG X 64 5.064 -7.025 6.165 1.00 10.10 H new ATOM 0 HD2 ARG X 64 3.123 -5.195 4.651 1.00 10.04 H new ATOM 0 HD3 ARG X 64 3.894 -6.605 3.950 1.00 10.04 H new ATOM 0 HE ARG X 64 1.576 -6.646 5.776 1.00 70.41 H new ATOM 0 HH11 ARG X 64 4.521 -8.202 4.948 1.00 44.51 H new ATOM 0 HH12 ARG X 64 3.962 -9.814 5.408 1.00 44.51 H new ATOM 0 HH21 ARG X 64 0.794 -8.693 6.374 1.00 22.00 H new ATOM 0 HH22 ARG X 64 1.852 -10.100 6.216 1.00 22.00 H new ATOM 1102 N ILE X 65 6.475 -3.264 7.042 1.00 3.24 N ATOM 1103 CA ILE X 65 7.605 -2.594 6.331 1.00 11.14 C ATOM 1104 C ILE X 65 8.836 -2.528 7.249 1.00 50.21 C ATOM 1105 O ILE X 65 9.948 -2.766 6.822 1.00 52.03 O ATOM 1106 CB ILE X 65 7.196 -1.169 5.941 1.00 24.12 C ATOM 1107 CG1 ILE X 65 5.889 -1.191 5.132 1.00 43.33 C ATOM 1108 CG2 ILE X 65 8.303 -0.531 5.101 1.00 0.41 C ATOM 1109 CD1 ILE X 65 5.998 -2.184 3.972 1.00 75.14 C ATOM 0 H ILE X 65 5.649 -2.683 7.187 1.00 3.24 H new ATOM 0 HA ILE X 65 7.848 -3.167 5.436 1.00 11.14 H new ATOM 0 HB ILE X 65 7.041 -0.587 6.849 1.00 24.12 H new ATOM 0 HG12 ILE X 65 5.057 -1.468 5.780 1.00 43.33 H new ATOM 0 HG13 ILE X 65 5.675 -0.194 4.747 1.00 43.33 H new ATOM 0 HG21 ILE X 65 8.012 0.482 4.824 1.00 0.41 H new ATOM 0 HG22 ILE X 65 9.226 -0.498 5.680 1.00 0.41 H new ATOM 0 HG23 ILE X 65 8.462 -1.122 4.199 1.00 0.41 H new ATOM 0 HD11 ILE X 65 5.065 -2.189 3.408 1.00 75.14 H new ATOM 0 HD12 ILE X 65 6.817 -1.889 3.316 1.00 75.14 H new ATOM 0 HD13 ILE X 65 6.190 -3.183 4.365 1.00 75.14 H new ATOM 1121 N ARG X 66 8.646 -2.198 8.502 1.00 53.23 N ATOM 1122 CA ARG X 66 9.806 -2.106 9.439 1.00 11.54 C ATOM 1123 C ARG X 66 10.607 -3.416 9.407 1.00 3.41 C ATOM 1124 O ARG X 66 11.823 -3.416 9.454 1.00 51.11 O ATOM 1125 CB ARG X 66 9.308 -1.861 10.876 1.00 73.53 C ATOM 1126 CG ARG X 66 10.494 -1.683 11.833 1.00 51.42 C ATOM 1127 CD ARG X 66 9.969 -1.375 13.238 1.00 62.11 C ATOM 1128 NE ARG X 66 11.122 -1.072 14.169 1.00 53.32 N ATOM 1129 CZ ARG X 66 10.930 -0.669 15.377 1.00 21.12 C ATOM 1130 NH1 ARG X 66 9.732 -0.633 15.842 1.00 55.34 N ATOM 1131 NH2 ARG X 66 11.948 -0.324 16.137 1.00 13.23 N ATOM 0 H ARG X 66 7.738 -1.988 8.916 1.00 53.23 H new ATOM 0 HA ARG X 66 10.441 -1.277 9.126 1.00 11.54 H new ATOM 0 HB2 ARG X 66 8.676 -0.973 10.902 1.00 73.53 H new ATOM 0 HB3 ARG X 66 8.693 -2.700 11.202 1.00 73.53 H new ATOM 0 HG2 ARG X 66 11.102 -2.588 11.850 1.00 51.42 H new ATOM 0 HG3 ARG X 66 11.137 -0.874 11.487 1.00 51.42 H new ATOM 0 HD2 ARG X 66 9.288 -0.525 13.202 1.00 62.11 H new ATOM 0 HD3 ARG X 66 9.400 -2.224 13.616 1.00 62.11 H new ATOM 0 HE ARG X 66 12.077 -1.190 13.831 1.00 53.32 H new ATOM 0 HH11 ARG X 66 8.949 -0.921 15.256 1.00 55.34 H new ATOM 0 HH12 ARG X 66 9.565 -0.316 16.797 1.00 55.34 H new ATOM 0 HH21 ARG X 66 12.898 -0.375 15.770 1.00 13.23 H new ATOM 0 HH22 ARG X 66 11.786 -0.006 17.093 1.00 13.23 H new ATOM 1145 N LYS X 67 9.932 -4.535 9.335 1.00 23.21 N ATOM 1146 CA LYS X 67 10.645 -5.851 9.312 1.00 24.41 C ATOM 1147 C LYS X 67 11.474 -5.963 8.026 1.00 70.53 C ATOM 1148 O LYS X 67 12.685 -6.066 8.069 1.00 45.21 O ATOM 1149 CB LYS X 67 9.613 -6.986 9.374 1.00 33.51 C ATOM 1150 CG LYS X 67 10.320 -8.344 9.474 1.00 70.43 C ATOM 1151 CD LYS X 67 9.270 -9.458 9.605 1.00 74.23 C ATOM 1152 CE LYS X 67 9.965 -10.819 9.731 1.00 53.22 C ATOM 1153 NZ LYS X 67 10.605 -11.177 8.430 1.00 44.15 N ATOM 0 H LYS X 67 8.915 -4.595 9.291 1.00 23.21 H new ATOM 0 HA LYS X 67 11.312 -5.924 10.171 1.00 24.41 H new ATOM 0 HB2 LYS X 67 8.959 -6.845 10.234 1.00 33.51 H new ATOM 0 HB3 LYS X 67 8.982 -6.962 8.486 1.00 33.51 H new ATOM 0 HG2 LYS X 67 10.936 -8.512 8.590 1.00 70.43 H new ATOM 0 HG3 LYS X 67 10.988 -8.356 10.335 1.00 70.43 H new ATOM 0 HD2 LYS X 67 8.643 -9.278 10.478 1.00 74.23 H new ATOM 0 HD3 LYS X 67 8.613 -9.455 8.735 1.00 74.23 H new ATOM 0 HE2 LYS X 67 10.716 -10.783 10.520 1.00 53.22 H new ATOM 0 HE3 LYS X 67 9.241 -11.583 10.014 1.00 53.22 H new ATOM 0 HZ1 LYS X 67 10.882 -12.179 8.444 1.00 44.15 H new ATOM 0 HZ2 LYS X 67 9.931 -11.015 7.655 1.00 44.15 H new ATOM 0 HZ3 LYS X 67 11.449 -10.587 8.284 1.00 44.15 H new ATOM 1167 N LEU X 68 10.837 -5.936 6.886 1.00 31.43 N ATOM 1168 CA LEU X 68 11.596 -6.048 5.605 1.00 72.03 C ATOM 1169 C LEU X 68 12.523 -4.836 5.465 1.00 42.20 C ATOM 1170 O LEU X 68 13.662 -4.953 5.058 1.00 42.12 O ATOM 1171 CB LEU X 68 10.623 -6.059 4.421 1.00 20.21 C ATOM 1172 CG LEU X 68 9.792 -7.344 4.412 1.00 64.23 C ATOM 1173 CD1 LEU X 68 8.706 -7.225 3.339 1.00 74.35 C ATOM 1174 CD2 LEU X 68 10.685 -8.545 4.086 1.00 40.12 C ATOM 0 H LEU X 68 9.826 -5.841 6.786 1.00 31.43 H new ATOM 0 HA LEU X 68 12.175 -6.972 5.611 1.00 72.03 H new ATOM 0 HB2 LEU X 68 9.962 -5.194 4.479 1.00 20.21 H new ATOM 0 HB3 LEU X 68 11.179 -5.973 3.487 1.00 20.21 H new ATOM 0 HG LEU X 68 9.341 -7.488 5.394 1.00 64.23 H new ATOM 0 HD11 LEU X 68 8.108 -8.136 3.324 1.00 74.35 H new ATOM 0 HD12 LEU X 68 8.064 -6.373 3.564 1.00 74.35 H new ATOM 0 HD13 LEU X 68 9.172 -7.081 2.364 1.00 74.35 H new ATOM 0 HD21 LEU X 68 10.084 -9.455 4.082 1.00 40.12 H new ATOM 0 HD22 LEU X 68 11.139 -8.405 3.105 1.00 40.12 H new ATOM 0 HD23 LEU X 68 11.468 -8.631 4.839 1.00 40.12 H new ATOM 1186 N CYS X 69 12.035 -3.668 5.793 1.00 1.33 N ATOM 1187 CA CYS X 69 12.876 -2.439 5.672 1.00 64.55 C ATOM 1188 C CYS X 69 14.069 -2.534 6.622 1.00 14.44 C ATOM 1189 O CYS X 69 15.070 -1.866 6.449 1.00 34.45 O ATOM 1190 CB CYS X 69 12.033 -1.212 6.028 1.00 2.02 C ATOM 1191 SG CYS X 69 12.903 0.288 5.505 1.00 62.31 S ATOM 0 H CYS X 69 11.089 -3.512 6.140 1.00 1.33 H new ATOM 0 HA CYS X 69 13.240 -2.348 4.649 1.00 64.55 H new ATOM 0 HB2 CYS X 69 11.061 -1.271 5.539 1.00 2.02 H new ATOM 0 HB3 CYS X 69 11.849 -1.183 7.102 1.00 2.02 H new ATOM 0 HG CYS X 69 14.186 0.095 5.583 1.00 62.31 H new ATOM 1197 N LYS X 70 13.972 -3.363 7.626 1.00 70.53 N ATOM 1198 CA LYS X 70 15.098 -3.503 8.592 1.00 4.10 C ATOM 1199 C LYS X 70 16.016 -4.644 8.140 1.00 62.34 C ATOM 1200 O LYS X 70 17.208 -4.627 8.374 1.00 74.54 O ATOM 1201 CB LYS X 70 14.547 -3.832 9.982 1.00 65.10 C ATOM 1202 CG LYS X 70 15.667 -4.362 10.886 1.00 11.24 C ATOM 1203 CD LYS X 70 15.677 -5.893 10.864 1.00 42.51 C ATOM 1204 CE LYS X 70 16.578 -6.414 11.989 1.00 24.42 C ATOM 1205 NZ LYS X 70 16.495 -7.902 12.044 1.00 61.00 N ATOM 0 H LYS X 70 13.160 -3.950 7.819 1.00 70.53 H new ATOM 0 HA LYS X 70 15.656 -2.568 8.630 1.00 4.10 H new ATOM 0 HB2 LYS X 70 14.104 -2.940 10.425 1.00 65.10 H new ATOM 0 HB3 LYS X 70 13.754 -4.575 9.900 1.00 65.10 H new ATOM 0 HG2 LYS X 70 16.630 -3.979 10.548 1.00 11.24 H new ATOM 0 HG3 LYS X 70 15.522 -4.006 11.906 1.00 11.24 H new ATOM 0 HD2 LYS X 70 14.664 -6.276 10.988 1.00 42.51 H new ATOM 0 HD3 LYS X 70 16.037 -6.251 9.900 1.00 42.51 H new ATOM 0 HE2 LYS X 70 17.608 -6.103 11.818 1.00 24.42 H new ATOM 0 HE3 LYS X 70 16.270 -5.986 12.943 1.00 24.42 H new ATOM 0 HZ1 LYS X 70 17.449 -8.299 12.159 1.00 61.00 H new ATOM 0 HZ2 LYS X 70 15.902 -8.187 12.849 1.00 61.00 H new ATOM 0 HZ3 LYS X 70 16.076 -8.259 11.162 1.00 61.00 H new ATOM 1219 N GLU X 71 15.463 -5.642 7.502 1.00 24.24 N ATOM 1220 CA GLU X 71 16.289 -6.803 7.052 1.00 14.11 C ATOM 1221 C GLU X 71 17.277 -6.371 5.961 1.00 54.03 C ATOM 1222 O GLU X 71 18.431 -6.753 5.972 1.00 1.11 O ATOM 1223 CB GLU X 71 15.378 -7.891 6.482 1.00 61.12 C ATOM 1224 CG GLU X 71 14.613 -8.576 7.613 1.00 64.43 C ATOM 1225 CD GLU X 71 15.583 -9.391 8.470 1.00 22.04 C ATOM 1226 OE1 GLU X 71 16.646 -9.720 7.975 1.00 55.33 O ATOM 1227 OE2 GLU X 71 15.244 -9.673 9.608 1.00 50.20 O ATOM 0 H GLU X 71 14.471 -5.704 7.272 1.00 24.24 H new ATOM 0 HA GLU X 71 16.842 -7.184 7.911 1.00 14.11 H new ATOM 0 HB2 GLU X 71 14.677 -7.454 5.770 1.00 61.12 H new ATOM 0 HB3 GLU X 71 15.971 -8.625 5.936 1.00 61.12 H new ATOM 0 HG2 GLU X 71 14.108 -7.831 8.227 1.00 64.43 H new ATOM 0 HG3 GLU X 71 13.841 -9.226 7.202 1.00 64.43 H new ATOM 1234 N HIS X 72 16.832 -5.594 5.011 1.00 34.31 N ATOM 1235 CA HIS X 72 17.742 -5.168 3.911 1.00 40.10 C ATOM 1236 C HIS X 72 18.537 -3.929 4.344 1.00 21.44 C ATOM 1237 O HIS X 72 19.204 -3.299 3.546 1.00 41.44 O ATOM 1238 CB HIS X 72 16.914 -4.843 2.666 1.00 73.40 C ATOM 1239 CG HIS X 72 16.061 -6.028 2.297 1.00 41.11 C ATOM 1240 ND1 HIS X 72 16.597 -7.186 1.750 1.00 23.33 N ATOM 1241 CD2 HIS X 72 14.709 -6.252 2.395 1.00 42.33 C ATOM 1242 CE1 HIS X 72 15.582 -8.046 1.544 1.00 1.21 C ATOM 1243 NE2 HIS X 72 14.413 -7.524 1.920 1.00 35.23 N ATOM 0 H HIS X 72 15.879 -5.236 4.949 1.00 34.31 H new ATOM 0 HA HIS X 72 18.439 -5.975 3.684 1.00 40.10 H new ATOM 0 HB2 HIS X 72 16.284 -3.974 2.854 1.00 73.40 H new ATOM 0 HB3 HIS X 72 17.573 -4.585 1.837 1.00 73.40 H new ATOM 0 HD2 HIS X 72 13.987 -5.548 2.782 1.00 42.33 H new ATOM 0 HE1 HIS X 72 15.699 -9.035 1.126 1.00 1.21 H new ATOM 0 HE2 HIS X 72 13.495 -7.966 1.869 1.00 35.23 H new ATOM 1252 N ASN X 73 18.473 -3.580 5.598 1.00 62.51 N ATOM 1253 CA ASN X 73 19.226 -2.387 6.091 1.00 40.03 C ATOM 1254 C ASN X 73 19.187 -1.277 5.040 1.00 50.53 C ATOM 1255 O ASN X 73 20.110 -0.496 4.918 1.00 20.41 O ATOM 1256 CB ASN X 73 20.682 -2.781 6.355 1.00 32.24 C ATOM 1257 CG ASN X 73 20.734 -3.669 7.602 1.00 52.32 C ATOM 1258 OD1 ASN X 73 20.063 -3.412 8.582 1.00 43.45 O ATOM 1259 ND2 ASN X 73 21.528 -4.710 7.614 1.00 2.51 N ATOM 0 H ASN X 73 17.930 -4.070 6.308 1.00 62.51 H new ATOM 0 HA ASN X 73 18.767 -2.028 7.012 1.00 40.03 H new ATOM 0 HB2 ASN X 73 21.091 -3.312 5.496 1.00 32.24 H new ATOM 0 HB3 ASN X 73 21.294 -1.891 6.500 1.00 32.24 H new ATOM 0 HD21 ASN X 73 21.581 -5.301 8.443 1.00 2.51 H new ATOM 0 HD22 ASN X 73 22.093 -4.930 6.794 1.00 2.51 H new ATOM 1266 N VAL X 74 18.134 -1.195 4.280 1.00 63.43 N ATOM 1267 CA VAL X 74 18.059 -0.135 3.238 1.00 33.33 C ATOM 1268 C VAL X 74 17.808 1.220 3.910 1.00 70.51 C ATOM 1269 O VAL X 74 18.440 2.208 3.593 1.00 55.11 O ATOM 1270 CB VAL X 74 16.916 -0.452 2.273 1.00 14.40 C ATOM 1271 CG1 VAL X 74 17.344 -1.563 1.314 1.00 64.23 C ATOM 1272 CG2 VAL X 74 15.690 -0.908 3.066 1.00 4.12 C ATOM 0 H VAL X 74 17.324 -1.813 4.334 1.00 63.43 H new ATOM 0 HA VAL X 74 18.997 -0.096 2.685 1.00 33.33 H new ATOM 0 HB VAL X 74 16.669 0.443 1.702 1.00 14.40 H new ATOM 0 HG11 VAL X 74 16.527 -1.786 0.628 1.00 64.23 H new ATOM 0 HG12 VAL X 74 18.216 -1.238 0.746 1.00 64.23 H new ATOM 0 HG13 VAL X 74 17.595 -2.458 1.883 1.00 64.23 H new ATOM 0 HG21 VAL X 74 14.875 -1.134 2.378 1.00 4.12 H new ATOM 0 HG22 VAL X 74 15.939 -1.801 3.639 1.00 4.12 H new ATOM 0 HG23 VAL X 74 15.381 -0.114 3.746 1.00 4.12 H new ATOM 1282 N ASP X 75 16.897 1.268 4.848 1.00 3.11 N ATOM 1283 CA ASP X 75 16.600 2.560 5.534 1.00 25.14 C ATOM 1284 C ASP X 75 15.284 2.450 6.309 1.00 1.24 C ATOM 1285 O ASP X 75 14.212 2.635 5.766 1.00 61.21 O ATOM 1286 CB ASP X 75 16.493 3.681 4.499 1.00 42.25 C ATOM 1287 CG ASP X 75 15.821 3.151 3.229 1.00 44.35 C ATOM 1288 OD1 ASP X 75 15.091 2.180 3.328 1.00 62.30 O ATOM 1289 OD2 ASP X 75 16.047 3.729 2.178 1.00 0.10 O ATOM 0 H ASP X 75 16.348 0.470 5.167 1.00 3.11 H new ATOM 0 HA ASP X 75 17.407 2.786 6.231 1.00 25.14 H new ATOM 0 HB2 ASP X 75 15.917 4.511 4.907 1.00 42.25 H new ATOM 0 HB3 ASP X 75 17.485 4.067 4.263 1.00 42.25 H new ATOM 1294 N GLU X 76 15.359 2.141 7.580 1.00 41.45 N ATOM 1295 CA GLU X 76 14.113 1.986 8.388 1.00 23.33 C ATOM 1296 C GLU X 76 13.345 3.311 8.433 1.00 42.04 C ATOM 1297 O GLU X 76 12.306 3.461 7.820 1.00 14.43 O ATOM 1298 CB GLU X 76 14.483 1.572 9.817 1.00 54.01 C ATOM 1299 CG GLU X 76 13.207 1.314 10.622 1.00 62.45 C ATOM 1300 CD GLU X 76 13.578 0.832 12.028 1.00 52.23 C ATOM 1301 OE1 GLU X 76 14.740 0.938 12.382 1.00 25.52 O ATOM 1302 OE2 GLU X 76 12.693 0.366 12.725 1.00 11.55 O ATOM 0 H GLU X 76 16.229 1.990 8.091 1.00 41.45 H new ATOM 0 HA GLU X 76 13.485 1.223 7.929 1.00 23.33 H new ATOM 0 HB2 GLU X 76 15.101 0.674 9.798 1.00 54.01 H new ATOM 0 HB3 GLU X 76 15.073 2.355 10.292 1.00 54.01 H new ATOM 0 HG2 GLU X 76 12.613 2.226 10.684 1.00 62.45 H new ATOM 0 HG3 GLU X 76 12.593 0.566 10.120 1.00 62.45 H new ATOM 1309 N ASN X 77 13.844 4.268 9.171 1.00 10.10 N ATOM 1310 CA ASN X 77 13.132 5.574 9.300 1.00 15.13 C ATOM 1311 C ASN X 77 12.598 6.041 7.941 1.00 23.04 C ATOM 1312 O ASN X 77 11.407 6.036 7.705 1.00 63.24 O ATOM 1313 CB ASN X 77 14.095 6.629 9.852 1.00 22.42 C ATOM 1314 CG ASN X 77 15.525 6.316 9.401 1.00 60.52 C ATOM 1315 OD1 ASN X 77 15.720 5.708 8.263 1.00 40.32 O flip ATOM 1316 ND2 ASN X 77 16.475 6.636 10.088 1.00 51.52 N flip ATOM 0 H ASN X 77 14.718 4.201 9.692 1.00 10.10 H new ATOM 0 HA ASN X 77 12.291 5.442 9.980 1.00 15.13 H new ATOM 0 HB2 ASN X 77 13.803 7.619 9.503 1.00 22.42 H new ATOM 0 HB3 ASN X 77 14.043 6.647 10.941 1.00 22.42 H new ATOM 0 HD21 ASN X 77 16.324 7.111 10.978 1.00 51.52 H new ATOM 0 HD22 ASN X 77 17.423 6.429 9.775 1.00 51.52 H new ATOM 1323 N ILE X 78 13.456 6.458 7.053 1.00 31.54 N ATOM 1324 CA ILE X 78 12.969 6.962 5.734 1.00 21.51 C ATOM 1325 C ILE X 78 11.954 5.983 5.139 1.00 53.20 C ATOM 1326 O ILE X 78 10.952 6.377 4.579 1.00 50.15 O ATOM 1327 CB ILE X 78 14.148 7.109 4.774 1.00 11.31 C ATOM 1328 CG1 ILE X 78 15.253 7.929 5.443 1.00 65.21 C ATOM 1329 CG2 ILE X 78 13.682 7.824 3.505 1.00 45.30 C ATOM 1330 CD1 ILE X 78 16.616 7.498 4.897 1.00 54.44 C ATOM 0 H ILE X 78 14.468 6.473 7.180 1.00 31.54 H new ATOM 0 HA ILE X 78 12.491 7.930 5.881 1.00 21.51 H new ATOM 0 HB ILE X 78 14.533 6.122 4.517 1.00 11.31 H new ATOM 0 HG12 ILE X 78 15.095 8.991 5.256 1.00 65.21 H new ATOM 0 HG13 ILE X 78 15.222 7.787 6.523 1.00 65.21 H new ATOM 0 HG21 ILE X 78 14.522 7.930 2.818 1.00 45.30 H new ATOM 0 HG22 ILE X 78 12.894 7.241 3.028 1.00 45.30 H new ATOM 0 HG23 ILE X 78 13.298 8.811 3.764 1.00 45.30 H new ATOM 0 HD11 ILE X 78 17.401 8.084 5.375 1.00 54.44 H new ATOM 0 HD12 ILE X 78 16.774 6.440 5.106 1.00 54.44 H new ATOM 0 HD13 ILE X 78 16.645 7.663 3.820 1.00 54.44 H new ATOM 1342 N GLY X 79 12.214 4.707 5.242 1.00 42.22 N ATOM 1343 CA GLY X 79 11.273 3.702 4.666 1.00 32.23 C ATOM 1344 C GLY X 79 9.838 3.996 5.115 1.00 22.41 C ATOM 1345 O GLY X 79 8.963 4.233 4.306 1.00 0.02 O ATOM 0 H GLY X 79 13.038 4.317 5.700 1.00 42.22 H new ATOM 0 HA2 GLY X 79 11.332 3.721 3.578 1.00 32.23 H new ATOM 0 HA3 GLY X 79 11.562 2.700 4.983 1.00 32.23 H new ATOM 1349 N ILE X 80 9.587 3.971 6.396 1.00 5.22 N ATOM 1350 CA ILE X 80 8.201 4.225 6.892 1.00 53.43 C ATOM 1351 C ILE X 80 7.783 5.670 6.587 1.00 35.43 C ATOM 1352 O ILE X 80 6.616 5.969 6.440 1.00 20.13 O ATOM 1353 CB ILE X 80 8.152 4.004 8.403 1.00 52.02 C ATOM 1354 CG1 ILE X 80 8.368 2.521 8.713 1.00 22.24 C ATOM 1355 CG2 ILE X 80 6.787 4.442 8.935 1.00 2.11 C ATOM 1356 CD1 ILE X 80 8.588 2.338 10.218 1.00 1.44 C ATOM 0 H ILE X 80 10.280 3.786 7.121 1.00 5.22 H new ATOM 0 HA ILE X 80 7.519 3.539 6.390 1.00 53.43 H new ATOM 0 HB ILE X 80 8.937 4.591 8.881 1.00 52.02 H new ATOM 0 HG12 ILE X 80 7.504 1.941 8.388 1.00 22.24 H new ATOM 0 HG13 ILE X 80 9.229 2.145 8.161 1.00 22.24 H new ATOM 0 HG21 ILE X 80 6.749 4.285 10.013 1.00 2.11 H new ATOM 0 HG22 ILE X 80 6.633 5.499 8.716 1.00 2.11 H new ATOM 0 HG23 ILE X 80 6.004 3.855 8.455 1.00 2.11 H new ATOM 0 HD11 ILE X 80 8.742 1.281 10.437 1.00 1.44 H new ATOM 0 HD12 ILE X 80 9.466 2.905 10.529 1.00 1.44 H new ATOM 0 HD13 ILE X 80 7.713 2.698 10.760 1.00 1.44 H new ATOM 1368 N LYS X 81 8.726 6.570 6.504 1.00 64.30 N ATOM 1369 CA LYS X 81 8.381 7.996 6.220 1.00 55.13 C ATOM 1370 C LYS X 81 7.691 8.121 4.852 1.00 54.33 C ATOM 1371 O LYS X 81 6.843 8.967 4.652 1.00 3.31 O ATOM 1372 CB LYS X 81 9.658 8.835 6.198 1.00 70.23 C ATOM 1373 CG LYS X 81 9.312 10.321 6.060 1.00 15.45 C ATOM 1374 CD LYS X 81 10.600 11.153 6.043 1.00 32.43 C ATOM 1375 CE LYS X 81 10.998 11.518 7.478 1.00 24.13 C ATOM 1376 NZ LYS X 81 10.109 12.608 7.978 1.00 52.33 N ATOM 0 H LYS X 81 9.721 6.381 6.620 1.00 64.30 H new ATOM 0 HA LYS X 81 7.707 8.350 7.000 1.00 55.13 H new ATOM 0 HB2 LYS X 81 10.226 8.670 7.113 1.00 70.23 H new ATOM 0 HB3 LYS X 81 10.293 8.523 5.368 1.00 70.23 H new ATOM 0 HG2 LYS X 81 8.747 10.489 5.143 1.00 15.45 H new ATOM 0 HG3 LYS X 81 8.676 10.635 6.888 1.00 15.45 H new ATOM 0 HD2 LYS X 81 11.402 10.590 5.565 1.00 32.43 H new ATOM 0 HD3 LYS X 81 10.452 12.059 5.455 1.00 32.43 H new ATOM 0 HE2 LYS X 81 10.917 10.643 8.123 1.00 24.13 H new ATOM 0 HE3 LYS X 81 12.039 11.840 7.507 1.00 24.13 H new ATOM 0 HZ1 LYS X 81 10.557 13.075 8.792 1.00 52.33 H new ATOM 0 HZ2 LYS X 81 9.955 13.305 7.221 1.00 52.33 H new ATOM 0 HZ3 LYS X 81 9.195 12.205 8.269 1.00 52.33 H new ATOM 1390 N ILE X 82 8.062 7.301 3.905 1.00 22.23 N ATOM 1391 CA ILE X 82 7.446 7.392 2.546 1.00 74.43 C ATOM 1392 C ILE X 82 6.227 6.462 2.439 1.00 33.03 C ATOM 1393 O ILE X 82 5.220 6.812 1.857 1.00 10.32 O ATOM 1394 CB ILE X 82 8.484 6.975 1.510 1.00 31.30 C ATOM 1395 CG1 ILE X 82 9.773 7.770 1.728 1.00 71.33 C ATOM 1396 CG2 ILE X 82 7.940 7.257 0.105 1.00 42.12 C ATOM 1397 CD1 ILE X 82 9.456 9.268 1.737 1.00 12.50 C ATOM 0 H ILE X 82 8.766 6.571 4.013 1.00 22.23 H new ATOM 0 HA ILE X 82 7.119 8.417 2.371 1.00 74.43 H new ATOM 0 HB ILE X 82 8.695 5.911 1.613 1.00 31.30 H new ATOM 0 HG12 ILE X 82 10.236 7.480 2.671 1.00 71.33 H new ATOM 0 HG13 ILE X 82 10.490 7.544 0.938 1.00 71.33 H new ATOM 0 HG21 ILE X 82 8.680 6.960 -0.638 1.00 42.12 H new ATOM 0 HG22 ILE X 82 7.022 6.690 -0.050 1.00 42.12 H new ATOM 0 HG23 ILE X 82 7.731 8.322 0.003 1.00 42.12 H new ATOM 0 HD11 ILE X 82 10.375 9.833 1.892 1.00 12.50 H new ATOM 0 HD12 ILE X 82 9.012 9.552 0.783 1.00 12.50 H new ATOM 0 HD13 ILE X 82 8.755 9.487 2.542 1.00 12.50 H new ATOM 1409 N PHE X 83 6.313 5.282 2.987 1.00 64.12 N ATOM 1410 CA PHE X 83 5.174 4.323 2.881 1.00 4.22 C ATOM 1411 C PHE X 83 3.888 4.980 3.403 1.00 64.44 C ATOM 1412 O PHE X 83 2.833 4.856 2.811 1.00 24.24 O ATOM 1413 CB PHE X 83 5.492 3.081 3.715 1.00 63.22 C ATOM 1414 CG PHE X 83 6.015 1.984 2.816 1.00 31.20 C ATOM 1415 CD1 PHE X 83 7.357 1.983 2.418 1.00 11.32 C ATOM 1416 CD2 PHE X 83 5.154 0.969 2.375 1.00 73.41 C ATOM 1417 CE1 PHE X 83 7.838 0.968 1.582 1.00 50.33 C ATOM 1418 CE2 PHE X 83 5.635 -0.045 1.538 1.00 33.10 C ATOM 1419 CZ PHE X 83 6.978 -0.045 1.141 1.00 63.33 C ATOM 0 H PHE X 83 7.122 4.939 3.504 1.00 64.12 H new ATOM 0 HA PHE X 83 5.028 4.041 1.838 1.00 4.22 H new ATOM 0 HB2 PHE X 83 6.232 3.323 4.478 1.00 63.22 H new ATOM 0 HB3 PHE X 83 4.597 2.742 4.236 1.00 63.22 H new ATOM 0 HD1 PHE X 83 8.021 2.765 2.756 1.00 11.32 H new ATOM 0 HD2 PHE X 83 4.118 0.969 2.681 1.00 73.41 H new ATOM 0 HE1 PHE X 83 8.874 0.967 1.277 1.00 50.33 H new ATOM 0 HE2 PHE X 83 4.971 -0.826 1.199 1.00 33.10 H new ATOM 0 HZ PHE X 83 7.350 -0.826 0.495 1.00 63.33 H new ATOM 1429 N GLN X 84 3.970 5.676 4.502 1.00 3.32 N ATOM 1430 CA GLN X 84 2.765 6.359 5.053 1.00 51.11 C ATOM 1431 C GLN X 84 2.202 7.316 3.999 1.00 4.11 C ATOM 1432 O GLN X 84 1.004 7.408 3.805 1.00 74.53 O ATOM 1433 CB GLN X 84 3.176 7.143 6.303 1.00 23.32 C ATOM 1434 CG GLN X 84 4.068 8.326 5.915 1.00 55.20 C ATOM 1435 CD GLN X 84 4.684 8.925 7.181 1.00 32.22 C ATOM 1436 OE1 GLN X 84 4.417 10.062 7.518 1.00 35.30 O ATOM 1437 NE2 GLN X 84 5.509 8.210 7.896 1.00 64.23 N ATOM 0 H GLN X 84 4.824 5.802 5.046 1.00 3.32 H new ATOM 0 HA GLN X 84 2.001 5.627 5.314 1.00 51.11 H new ATOM 0 HB2 GLN X 84 2.289 7.503 6.824 1.00 23.32 H new ATOM 0 HB3 GLN X 84 3.708 6.488 6.994 1.00 23.32 H new ATOM 0 HG2 GLN X 84 4.853 7.997 5.234 1.00 55.20 H new ATOM 0 HG3 GLN X 84 3.484 9.080 5.388 1.00 55.20 H new ATOM 0 HE21 GLN X 84 5.733 7.256 7.614 1.00 64.23 H new ATOM 0 HE22 GLN X 84 5.929 8.605 8.737 1.00 64.23 H new ATOM 1446 N ARG X 85 3.059 8.023 3.311 1.00 53.44 N ATOM 1447 CA ARG X 85 2.583 8.950 2.247 1.00 20.42 C ATOM 1448 C ARG X 85 1.702 8.169 1.258 1.00 64.32 C ATOM 1449 O ARG X 85 0.667 8.640 0.826 1.00 20.32 O ATOM 1450 CB ARG X 85 3.793 9.545 1.507 1.00 51.13 C ATOM 1451 CG ARG X 85 3.348 10.662 0.545 1.00 32.50 C ATOM 1452 CD ARG X 85 3.265 11.995 1.302 1.00 53.45 C ATOM 1453 NE ARG X 85 4.599 12.330 1.885 1.00 74.01 N ATOM 1454 CZ ARG X 85 4.808 13.530 2.374 1.00 41.40 C ATOM 1455 NH1 ARG X 85 3.812 14.379 2.455 1.00 43.13 N ATOM 1456 NH2 ARG X 85 5.979 13.874 2.849 1.00 33.34 N ATOM 0 H ARG X 85 4.070 7.997 3.442 1.00 53.44 H new ATOM 0 HA ARG X 85 2.003 9.758 2.693 1.00 20.42 H new ATOM 0 HB2 ARG X 85 4.507 9.943 2.228 1.00 51.13 H new ATOM 0 HB3 ARG X 85 4.306 8.761 0.950 1.00 51.13 H new ATOM 0 HG2 ARG X 85 4.054 10.746 -0.282 1.00 32.50 H new ATOM 0 HG3 ARG X 85 2.378 10.417 0.112 1.00 32.50 H new ATOM 0 HD2 ARG X 85 2.944 12.788 0.627 1.00 53.45 H new ATOM 0 HD3 ARG X 85 2.518 11.928 2.093 1.00 53.45 H new ATOM 0 HE ARG X 85 5.342 11.631 1.903 1.00 74.01 H new ATOM 0 HH11 ARG X 85 2.882 14.105 2.139 1.00 43.13 H new ATOM 0 HH12 ARG X 85 3.968 15.313 2.834 1.00 43.13 H new ATOM 0 HH21 ARG X 85 6.748 13.204 2.843 1.00 33.34 H new ATOM 0 HH22 ARG X 85 6.122 14.811 3.225 1.00 33.34 H new ATOM 1470 N LEU X 86 2.108 6.977 0.901 1.00 62.43 N ATOM 1471 CA LEU X 86 1.304 6.158 -0.058 1.00 30.43 C ATOM 1472 C LEU X 86 -0.079 5.869 0.535 1.00 24.03 C ATOM 1473 O LEU X 86 -1.082 5.918 -0.148 1.00 63.14 O ATOM 1474 CB LEU X 86 2.020 4.827 -0.315 1.00 45.15 C ATOM 1475 CG LEU X 86 3.059 4.989 -1.429 1.00 44.52 C ATOM 1476 CD1 LEU X 86 4.089 6.045 -1.025 1.00 44.13 C ATOM 1477 CD2 LEU X 86 3.763 3.657 -1.672 1.00 71.33 C ATOM 0 H LEU X 86 2.964 6.534 1.233 1.00 62.43 H new ATOM 0 HA LEU X 86 1.193 6.710 -0.991 1.00 30.43 H new ATOM 0 HB2 LEU X 86 2.507 4.486 0.599 1.00 45.15 H new ATOM 0 HB3 LEU X 86 1.294 4.063 -0.594 1.00 45.15 H new ATOM 0 HG LEU X 86 2.557 5.306 -2.343 1.00 44.52 H new ATOM 0 HD11 LEU X 86 4.826 6.157 -1.820 1.00 44.13 H new ATOM 0 HD12 LEU X 86 3.587 6.998 -0.859 1.00 44.13 H new ATOM 0 HD13 LEU X 86 4.589 5.733 -0.108 1.00 44.13 H new ATOM 0 HD21 LEU X 86 4.502 3.775 -2.465 1.00 71.33 H new ATOM 0 HD22 LEU X 86 4.261 3.336 -0.757 1.00 71.33 H new ATOM 0 HD23 LEU X 86 3.030 2.907 -1.968 1.00 71.33 H new ATOM 1489 N ILE X 87 -0.137 5.561 1.805 1.00 34.44 N ATOM 1490 CA ILE X 87 -1.454 5.263 2.445 1.00 64.33 C ATOM 1491 C ILE X 87 -2.341 6.513 2.404 1.00 20.30 C ATOM 1492 O ILE X 87 -3.531 6.434 2.178 1.00 4.44 O ATOM 1493 CB ILE X 87 -1.227 4.844 3.901 1.00 43.52 C ATOM 1494 CG1 ILE X 87 -0.174 3.730 3.957 1.00 72.15 C ATOM 1495 CG2 ILE X 87 -2.539 4.339 4.502 1.00 50.02 C ATOM 1496 CD1 ILE X 87 -0.577 2.582 3.026 1.00 42.22 C ATOM 0 H ILE X 87 0.670 5.503 2.426 1.00 34.44 H new ATOM 0 HA ILE X 87 -1.946 4.454 1.905 1.00 64.33 H new ATOM 0 HB ILE X 87 -0.876 5.703 4.472 1.00 43.52 H new ATOM 0 HG12 ILE X 87 0.799 4.123 3.663 1.00 72.15 H new ATOM 0 HG13 ILE X 87 -0.075 3.363 4.979 1.00 72.15 H new ATOM 0 HG21 ILE X 87 -2.374 4.042 5.538 1.00 50.02 H new ATOM 0 HG22 ILE X 87 -3.285 5.133 4.467 1.00 50.02 H new ATOM 0 HG23 ILE X 87 -2.895 3.482 3.931 1.00 50.02 H new ATOM 0 HD11 ILE X 87 0.176 1.795 3.072 1.00 42.22 H new ATOM 0 HD12 ILE X 87 -1.541 2.181 3.339 1.00 42.22 H new ATOM 0 HD13 ILE X 87 -0.653 2.952 2.004 1.00 42.22 H new ATOM 1508 N GLU X 88 -1.766 7.666 2.616 1.00 74.11 N ATOM 1509 CA GLU X 88 -2.575 8.919 2.612 1.00 13.14 C ATOM 1510 C GLU X 88 -3.364 9.006 1.302 1.00 20.12 C ATOM 1511 O GLU X 88 -4.572 9.138 1.297 1.00 40.25 O ATOM 1512 CB GLU X 88 -1.633 10.121 2.726 1.00 42.41 C ATOM 1513 CG GLU X 88 -0.918 10.104 4.079 1.00 45.01 C ATOM 1514 CD GLU X 88 -1.875 10.606 5.163 1.00 12.40 C ATOM 1515 OE1 GLU X 88 -3.062 10.679 4.891 1.00 73.00 O ATOM 1516 OE2 GLU X 88 -1.405 10.908 6.248 1.00 75.42 O ATOM 0 H GLU X 88 -0.770 7.795 2.792 1.00 74.11 H new ATOM 0 HA GLU X 88 -3.269 8.917 3.453 1.00 13.14 H new ATOM 0 HB2 GLU X 88 -0.901 10.097 1.919 1.00 42.41 H new ATOM 0 HB3 GLU X 88 -2.198 11.047 2.616 1.00 42.41 H new ATOM 0 HG2 GLU X 88 -0.583 9.094 4.313 1.00 45.01 H new ATOM 0 HG3 GLU X 88 -0.030 10.734 4.042 1.00 45.01 H new ATOM 1523 N HIS X 89 -2.684 8.925 0.190 1.00 31.35 N ATOM 1524 CA HIS X 89 -3.378 9.042 -1.125 1.00 5.44 C ATOM 1525 C HIS X 89 -4.321 7.847 -1.306 1.00 45.14 C ATOM 1526 O HIS X 89 -5.254 7.891 -2.085 1.00 4.14 O ATOM 1527 CB HIS X 89 -2.325 9.081 -2.239 1.00 2.51 C ATOM 1528 CG HIS X 89 -1.856 7.693 -2.585 1.00 72.25 C ATOM 1529 ND1 HIS X 89 -2.735 6.629 -2.739 1.00 43.44 N ATOM 1530 CD2 HIS X 89 -0.598 7.168 -2.764 1.00 0.55 C ATOM 1531 CE1 HIS X 89 -2.003 5.528 -2.994 1.00 44.21 C ATOM 1532 NE2 HIS X 89 -0.698 5.804 -3.019 1.00 4.33 N ATOM 0 H HIS X 89 -1.675 8.783 0.136 1.00 31.35 H new ATOM 0 HA HIS X 89 -3.968 9.957 -1.166 1.00 5.44 H new ATOM 0 HB2 HIS X 89 -2.744 9.559 -3.125 1.00 2.51 H new ATOM 0 HB3 HIS X 89 -1.477 9.687 -1.922 1.00 2.51 H new ATOM 0 HD2 HIS X 89 0.324 7.727 -2.714 1.00 0.55 H new ATOM 0 HE1 HIS X 89 -2.420 4.545 -3.158 1.00 44.21 H new ATOM 0 HE2 HIS X 89 0.067 5.151 -3.190 1.00 4.33 H new ATOM 1541 N ASN X 90 -4.095 6.791 -0.575 1.00 33.24 N ATOM 1542 CA ASN X 90 -4.979 5.596 -0.679 1.00 34.44 C ATOM 1543 C ASN X 90 -6.371 5.964 -0.151 1.00 43.01 C ATOM 1544 O ASN X 90 -7.381 5.621 -0.733 1.00 54.24 O ATOM 1545 CB ASN X 90 -4.386 4.463 0.167 1.00 73.41 C ATOM 1546 CG ASN X 90 -4.952 3.115 -0.290 1.00 31.52 C ATOM 1547 OD1 ASN X 90 -4.323 2.434 -1.208 1.00 52.44 O flip ATOM 1548 ND2 ASN X 90 -5.973 2.675 0.199 1.00 43.21 N flip ATOM 0 H ASN X 90 -3.331 6.704 0.095 1.00 33.24 H new ATOM 0 HA ASN X 90 -5.057 5.271 -1.716 1.00 34.44 H new ATOM 0 HB2 ASN X 90 -3.300 4.460 0.076 1.00 73.41 H new ATOM 0 HB3 ASN X 90 -4.617 4.625 1.220 1.00 73.41 H new ATOM 0 HD21 ASN X 90 -6.465 3.207 0.917 1.00 43.21 H new ATOM 0 HD22 ASN X 90 -6.338 1.773 -0.108 1.00 43.21 H new ATOM 1555 N LYS X 91 -6.426 6.671 0.950 1.00 32.33 N ATOM 1556 CA LYS X 91 -7.742 7.081 1.522 1.00 20.42 C ATOM 1557 C LYS X 91 -8.291 8.261 0.719 1.00 63.20 C ATOM 1558 O LYS X 91 -9.429 8.659 0.869 1.00 0.42 O ATOM 1559 CB LYS X 91 -7.547 7.503 2.988 1.00 40.45 C ATOM 1560 CG LYS X 91 -7.140 6.291 3.835 1.00 72.33 C ATOM 1561 CD LYS X 91 -7.032 6.702 5.311 1.00 21.03 C ATOM 1562 CE LYS X 91 -5.726 7.469 5.540 1.00 2.14 C ATOM 1563 NZ LYS X 91 -5.491 7.629 7.005 1.00 62.21 N ATOM 0 H LYS X 91 -5.611 6.983 1.479 1.00 32.33 H new ATOM 0 HA LYS X 91 -8.443 6.248 1.474 1.00 20.42 H new ATOM 0 HB2 LYS X 91 -6.781 8.276 3.053 1.00 40.45 H new ATOM 0 HB3 LYS X 91 -8.470 7.935 3.376 1.00 40.45 H new ATOM 0 HG2 LYS X 91 -7.875 5.494 3.723 1.00 72.33 H new ATOM 0 HG3 LYS X 91 -6.185 5.896 3.487 1.00 72.33 H new ATOM 0 HD2 LYS X 91 -7.883 7.324 5.588 1.00 21.03 H new ATOM 0 HD3 LYS X 91 -7.062 5.818 5.948 1.00 21.03 H new ATOM 0 HE2 LYS X 91 -4.893 6.934 5.084 1.00 2.14 H new ATOM 0 HE3 LYS X 91 -5.777 8.447 5.061 1.00 2.14 H new ATOM 0 HZ1 LYS X 91 -4.604 8.150 7.159 1.00 62.21 H new ATOM 0 HZ2 LYS X 91 -6.281 8.157 7.428 1.00 62.21 H new ATOM 0 HZ3 LYS X 91 -5.424 6.692 7.450 1.00 62.21 H new ATOM 1577 N ALA X 92 -7.473 8.825 -0.126 1.00 21.32 N ATOM 1578 CA ALA X 92 -7.905 10.002 -0.939 1.00 42.04 C ATOM 1579 C ALA X 92 -8.878 9.587 -2.048 1.00 33.21 C ATOM 1580 O ALA X 92 -9.992 10.065 -2.112 1.00 2.23 O ATOM 1581 CB ALA X 92 -6.679 10.644 -1.590 1.00 12.50 C ATOM 0 H ALA X 92 -6.514 8.519 -0.291 1.00 21.32 H new ATOM 0 HA ALA X 92 -8.406 10.705 -0.273 1.00 42.04 H new ATOM 0 HB1 ALA X 92 -6.990 11.503 -2.184 1.00 12.50 H new ATOM 0 HB2 ALA X 92 -5.985 10.971 -0.816 1.00 12.50 H new ATOM 0 HB3 ALA X 92 -6.187 9.916 -2.235 1.00 12.50 H new ATOM 1587 N LEU X 93 -8.455 8.734 -2.944 1.00 71.31 N ATOM 1588 CA LEU X 93 -9.353 8.327 -4.062 1.00 42.45 C ATOM 1589 C LEU X 93 -10.389 7.306 -3.571 1.00 72.44 C ATOM 1590 O LEU X 93 -11.395 7.076 -4.214 1.00 45.13 O ATOM 1591 CB LEU X 93 -8.501 7.781 -5.225 1.00 44.10 C ATOM 1592 CG LEU X 93 -7.952 6.374 -4.943 1.00 31.02 C ATOM 1593 CD1 LEU X 93 -7.266 6.328 -3.579 1.00 54.54 C ATOM 1594 CD2 LEU X 93 -9.090 5.355 -4.987 1.00 74.41 C ATOM 0 H LEU X 93 -7.530 8.304 -2.949 1.00 71.31 H new ATOM 0 HA LEU X 93 -9.909 9.191 -4.427 1.00 42.45 H new ATOM 0 HB2 LEU X 93 -9.104 7.757 -6.133 1.00 44.10 H new ATOM 0 HB3 LEU X 93 -7.670 8.461 -5.413 1.00 44.10 H new ATOM 0 HG LEU X 93 -7.217 6.128 -5.709 1.00 31.02 H new ATOM 0 HD11 LEU X 93 -6.884 5.323 -3.398 1.00 54.54 H new ATOM 0 HD12 LEU X 93 -6.440 7.039 -3.563 1.00 54.54 H new ATOM 0 HD13 LEU X 93 -7.984 6.589 -2.802 1.00 54.54 H new ATOM 0 HD21 LEU X 93 -8.695 4.359 -4.786 1.00 74.41 H new ATOM 0 HD22 LEU X 93 -9.835 5.609 -4.233 1.00 74.41 H new ATOM 0 HD23 LEU X 93 -9.553 5.369 -5.974 1.00 74.41 H new ATOM 1606 N GLN X 94 -10.179 6.728 -2.424 1.00 51.33 N ATOM 1607 CA GLN X 94 -11.173 5.761 -1.884 1.00 23.03 C ATOM 1608 C GLN X 94 -12.442 6.523 -1.487 1.00 40.23 C ATOM 1609 O GLN X 94 -13.539 6.190 -1.900 1.00 53.40 O ATOM 1610 CB GLN X 94 -10.585 5.081 -0.646 1.00 63.41 C ATOM 1611 CG GLN X 94 -9.736 3.887 -1.072 1.00 73.30 C ATOM 1612 CD GLN X 94 -9.106 3.236 0.158 1.00 21.33 C ATOM 1613 OE1 GLN X 94 -8.521 2.173 0.070 1.00 53.33 O ATOM 1614 NE2 GLN X 94 -9.201 3.835 1.315 1.00 71.02 N ATOM 0 H GLN X 94 -9.361 6.883 -1.835 1.00 51.33 H new ATOM 0 HA GLN X 94 -11.412 5.011 -2.637 1.00 23.03 H new ATOM 0 HB2 GLN X 94 -9.977 5.790 -0.084 1.00 63.41 H new ATOM 0 HB3 GLN X 94 -11.386 4.753 0.016 1.00 63.41 H new ATOM 0 HG2 GLN X 94 -10.352 3.162 -1.603 1.00 73.30 H new ATOM 0 HG3 GLN X 94 -8.957 4.211 -1.763 1.00 73.30 H new ATOM 0 HE21 GLN X 94 -9.691 4.726 1.389 1.00 71.02 H new ATOM 0 HE22 GLN X 94 -8.785 3.411 2.144 1.00 71.02 H new ATOM 1623 N LYS X 95 -12.295 7.548 -0.690 1.00 24.23 N ATOM 1624 CA LYS X 95 -13.479 8.341 -0.244 1.00 52.15 C ATOM 1625 C LYS X 95 -14.070 9.102 -1.437 1.00 54.22 C ATOM 1626 O LYS X 95 -15.273 9.187 -1.594 1.00 63.00 O ATOM 1627 CB LYS X 95 -13.044 9.350 0.830 1.00 20.40 C ATOM 1628 CG LYS X 95 -12.562 8.617 2.088 1.00 31.14 C ATOM 1629 CD LYS X 95 -12.311 9.640 3.203 1.00 23.44 C ATOM 1630 CE LYS X 95 -11.920 8.919 4.495 1.00 42.12 C ATOM 1631 NZ LYS X 95 -10.454 8.628 4.479 1.00 42.02 N ATOM 0 H LYS X 95 -11.399 7.872 -0.326 1.00 24.23 H new ATOM 0 HA LYS X 95 -14.229 7.665 0.166 1.00 52.15 H new ATOM 0 HB2 LYS X 95 -12.246 9.983 0.442 1.00 20.40 H new ATOM 0 HB3 LYS X 95 -13.878 10.006 1.081 1.00 20.40 H new ATOM 0 HG2 LYS X 95 -13.308 7.889 2.407 1.00 31.14 H new ATOM 0 HG3 LYS X 95 -11.648 8.064 1.873 1.00 31.14 H new ATOM 0 HD2 LYS X 95 -11.519 10.327 2.906 1.00 23.44 H new ATOM 0 HD3 LYS X 95 -13.207 10.239 3.367 1.00 23.44 H new ATOM 0 HE2 LYS X 95 -12.170 9.536 5.358 1.00 42.12 H new ATOM 0 HE3 LYS X 95 -12.485 7.992 4.592 1.00 42.12 H new ATOM 0 HZ1 LYS X 95 -10.051 8.825 5.417 1.00 42.02 H new ATOM 0 HZ2 LYS X 95 -10.301 7.628 4.239 1.00 42.02 H new ATOM 0 HZ3 LYS X 95 -9.988 9.229 3.769 1.00 42.02 H new ATOM 1645 N GLN X 96 -13.237 9.664 -2.270 1.00 11.40 N ATOM 1646 CA GLN X 96 -13.750 10.432 -3.441 1.00 62.05 C ATOM 1647 C GLN X 96 -14.396 9.468 -4.440 1.00 13.43 C ATOM 1648 O GLN X 96 -15.441 9.743 -4.999 1.00 11.03 O ATOM 1649 CB GLN X 96 -12.585 11.171 -4.111 1.00 64.24 C ATOM 1650 CG GLN X 96 -12.237 12.428 -3.304 1.00 13.52 C ATOM 1651 CD GLN X 96 -13.354 13.464 -3.448 1.00 51.13 C ATOM 1652 OE1 GLN X 96 -13.481 14.097 -4.477 1.00 64.43 O ATOM 1653 NE2 GLN X 96 -14.176 13.663 -2.454 1.00 43.13 N ATOM 0 H GLN X 96 -12.221 9.624 -2.190 1.00 11.40 H new ATOM 0 HA GLN X 96 -14.494 11.156 -3.109 1.00 62.05 H new ATOM 0 HB2 GLN X 96 -11.716 10.517 -4.176 1.00 64.24 H new ATOM 0 HB3 GLN X 96 -12.854 11.445 -5.131 1.00 64.24 H new ATOM 0 HG2 GLN X 96 -12.101 12.170 -2.254 1.00 13.52 H new ATOM 0 HG3 GLN X 96 -11.293 12.846 -3.654 1.00 13.52 H new ATOM 0 HE21 GLN X 96 -14.070 13.132 -1.590 1.00 43.13 H new ATOM 0 HE22 GLN X 96 -14.925 14.350 -2.541 1.00 43.13 H new ATOM 1662 N TYR X 97 -13.780 8.339 -4.666 1.00 45.25 N ATOM 1663 CA TYR X 97 -14.333 7.351 -5.640 1.00 62.35 C ATOM 1664 C TYR X 97 -15.711 6.877 -5.172 1.00 71.21 C ATOM 1665 O TYR X 97 -16.678 6.925 -5.906 1.00 32.33 O ATOM 1666 CB TYR X 97 -13.380 6.154 -5.726 1.00 1.13 C ATOM 1667 CG TYR X 97 -14.010 5.051 -6.547 1.00 3.32 C ATOM 1668 CD1 TYR X 97 -14.115 5.188 -7.937 1.00 74.04 C ATOM 1669 CD2 TYR X 97 -14.504 3.901 -5.918 1.00 13.24 C ATOM 1670 CE1 TYR X 97 -14.705 4.172 -8.698 1.00 72.10 C ATOM 1671 CE2 TYR X 97 -15.097 2.886 -6.679 1.00 34.51 C ATOM 1672 CZ TYR X 97 -15.201 3.024 -8.069 1.00 72.34 C ATOM 1673 OH TYR X 97 -15.789 2.025 -8.819 1.00 3.11 O ATOM 0 H TYR X 97 -12.910 8.056 -4.214 1.00 45.25 H new ATOM 0 HA TYR X 97 -14.433 7.818 -6.620 1.00 62.35 H new ATOM 0 HB2 TYR X 97 -12.437 6.461 -6.177 1.00 1.13 H new ATOM 0 HB3 TYR X 97 -13.151 5.788 -4.725 1.00 1.13 H new ATOM 0 HD1 TYR X 97 -13.741 6.078 -8.422 1.00 74.04 H new ATOM 0 HD2 TYR X 97 -14.428 3.797 -4.846 1.00 13.24 H new ATOM 0 HE1 TYR X 97 -14.778 4.274 -9.771 1.00 72.10 H new ATOM 0 HE2 TYR X 97 -15.474 1.997 -6.194 1.00 34.51 H new ATOM 0 HH TYR X 97 -16.078 1.299 -8.228 1.00 3.11 H new ATOM 1683 N LEU X 98 -15.806 6.413 -3.952 1.00 51.53 N ATOM 1684 CA LEU X 98 -17.115 5.908 -3.440 1.00 52.20 C ATOM 1685 C LEU X 98 -18.147 7.044 -3.450 1.00 31.31 C ATOM 1686 O LEU X 98 -19.300 6.844 -3.776 1.00 11.44 O ATOM 1687 CB LEU X 98 -16.950 5.405 -2.000 1.00 5.51 C ATOM 1688 CG LEU X 98 -16.125 4.113 -1.964 1.00 12.44 C ATOM 1689 CD1 LEU X 98 -15.843 3.743 -0.505 1.00 73.22 C ATOM 1690 CD2 LEU X 98 -16.903 2.972 -2.625 1.00 2.34 C ATOM 0 H LEU X 98 -15.033 6.362 -3.288 1.00 51.53 H new ATOM 0 HA LEU X 98 -17.453 5.093 -4.080 1.00 52.20 H new ATOM 0 HB2 LEU X 98 -16.462 6.170 -1.397 1.00 5.51 H new ATOM 0 HB3 LEU X 98 -17.930 5.228 -1.558 1.00 5.51 H new ATOM 0 HG LEU X 98 -15.191 4.269 -2.503 1.00 12.44 H new ATOM 0 HD11 LEU X 98 -15.256 2.825 -0.469 1.00 73.22 H new ATOM 0 HD12 LEU X 98 -15.286 4.548 -0.027 1.00 73.22 H new ATOM 0 HD13 LEU X 98 -16.786 3.592 0.021 1.00 73.22 H new ATOM 0 HD21 LEU X 98 -16.307 2.060 -2.594 1.00 2.34 H new ATOM 0 HD22 LEU X 98 -17.839 2.813 -2.090 1.00 2.34 H new ATOM 0 HD23 LEU X 98 -17.117 3.230 -3.662 1.00 2.34 H new ATOM 1702 N GLU X 99 -17.739 8.233 -3.082 1.00 14.35 N ATOM 1703 CA GLU X 99 -18.686 9.392 -3.077 1.00 3.22 C ATOM 1704 C GLU X 99 -19.092 9.746 -4.510 1.00 21.54 C ATOM 1705 O GLU X 99 -20.224 10.095 -4.777 1.00 51.21 O ATOM 1706 CB GLU X 99 -18.000 10.606 -2.445 1.00 41.04 C ATOM 1707 CG GLU X 99 -17.901 10.412 -0.928 1.00 60.54 C ATOM 1708 CD GLU X 99 -17.112 11.575 -0.314 1.00 62.22 C ATOM 1709 OE1 GLU X 99 -16.732 12.464 -1.057 1.00 53.14 O ATOM 1710 OE2 GLU X 99 -16.900 11.554 0.888 1.00 11.11 O ATOM 0 H GLU X 99 -16.788 8.452 -2.784 1.00 14.35 H new ATOM 0 HA GLU X 99 -19.573 9.120 -2.504 1.00 3.22 H new ATOM 0 HB2 GLU X 99 -17.005 10.736 -2.870 1.00 41.04 H new ATOM 0 HB3 GLU X 99 -18.563 11.512 -2.669 1.00 41.04 H new ATOM 0 HG2 GLU X 99 -18.898 10.364 -0.491 1.00 60.54 H new ATOM 0 HG3 GLU X 99 -17.409 9.466 -0.703 1.00 60.54 H new ATOM 1717 N GLU X 100 -18.169 9.679 -5.429 1.00 61.42 N ATOM 1718 CA GLU X 100 -18.492 10.028 -6.842 1.00 12.32 C ATOM 1719 C GLU X 100 -19.294 8.899 -7.504 1.00 22.21 C ATOM 1720 O GLU X 100 -19.901 9.086 -8.538 1.00 2.34 O ATOM 1721 CB GLU X 100 -17.190 10.276 -7.608 1.00 31.35 C ATOM 1722 CG GLU X 100 -16.755 9.008 -8.350 1.00 22.13 C ATOM 1723 CD GLU X 100 -17.533 8.884 -9.661 1.00 62.51 C ATOM 1724 OE1 GLU X 100 -17.770 9.906 -10.285 1.00 61.44 O ATOM 1725 OE2 GLU X 100 -17.877 7.771 -10.022 1.00 22.23 O ATOM 0 H GLU X 100 -17.203 9.397 -5.263 1.00 61.42 H new ATOM 0 HA GLU X 100 -19.101 10.932 -6.860 1.00 12.32 H new ATOM 0 HB2 GLU X 100 -17.329 11.091 -8.319 1.00 31.35 H new ATOM 0 HB3 GLU X 100 -16.407 10.586 -6.916 1.00 31.35 H new ATOM 0 HG2 GLU X 100 -15.685 9.043 -8.553 1.00 22.13 H new ATOM 0 HG3 GLU X 100 -16.932 8.132 -7.727 1.00 22.13 H new ATOM 1732 N THR X 101 -19.318 7.738 -6.909 1.00 61.24 N ATOM 1733 CA THR X 101 -20.111 6.620 -7.494 1.00 12.42 C ATOM 1734 C THR X 101 -21.537 6.665 -6.928 1.00 22.32 C ATOM 1735 O THR X 101 -22.469 6.153 -7.520 1.00 34.52 O ATOM 1736 CB THR X 101 -19.463 5.287 -7.131 1.00 52.25 C ATOM 1737 OG1 THR X 101 -19.072 5.314 -5.765 1.00 14.03 O ATOM 1738 CG2 THR X 101 -18.235 5.056 -8.011 1.00 61.11 C ATOM 0 H THR X 101 -18.824 7.515 -6.045 1.00 61.24 H new ATOM 0 HA THR X 101 -20.141 6.722 -8.579 1.00 12.42 H new ATOM 0 HB THR X 101 -20.176 4.479 -7.292 1.00 52.25 H new ATOM 0 HG1 THR X 101 -19.646 5.937 -5.273 1.00 14.03 H new ATOM 0 HG21 THR X 101 -17.774 4.103 -7.750 1.00 61.11 H new ATOM 0 HG22 THR X 101 -18.536 5.038 -9.058 1.00 61.11 H new ATOM 0 HG23 THR X 101 -17.518 5.861 -7.853 1.00 61.11 H new ATOM 1746 N LEU X 102 -21.714 7.283 -5.791 1.00 21.54 N ATOM 1747 CA LEU X 102 -23.080 7.379 -5.192 1.00 51.35 C ATOM 1748 C LEU X 102 -23.758 8.666 -5.680 1.00 34.15 C ATOM 1749 O LEU X 102 -24.963 8.816 -5.593 1.00 25.44 O ATOM 1750 CB LEU X 102 -22.976 7.403 -3.662 1.00 11.21 C ATOM 1751 CG LEU X 102 -22.370 6.088 -3.162 1.00 63.43 C ATOM 1752 CD1 LEU X 102 -22.076 6.192 -1.667 1.00 31.43 C ATOM 1753 CD2 LEU X 102 -23.366 4.945 -3.397 1.00 42.04 C ATOM 0 H LEU X 102 -20.972 7.726 -5.250 1.00 21.54 H new ATOM 0 HA LEU X 102 -23.670 6.515 -5.497 1.00 51.35 H new ATOM 0 HB2 LEU X 102 -22.358 8.243 -3.344 1.00 11.21 H new ATOM 0 HB3 LEU X 102 -23.963 7.549 -3.224 1.00 11.21 H new ATOM 0 HG LEU X 102 -21.445 5.891 -3.704 1.00 63.43 H new ATOM 0 HD11 LEU X 102 -21.645 5.255 -1.315 1.00 31.43 H new ATOM 0 HD12 LEU X 102 -21.371 7.004 -1.490 1.00 31.43 H new ATOM 0 HD13 LEU X 102 -23.002 6.391 -1.127 1.00 31.43 H new ATOM 0 HD21 LEU X 102 -22.936 4.009 -3.042 1.00 42.04 H new ATOM 0 HD22 LEU X 102 -24.289 5.149 -2.854 1.00 42.04 H new ATOM 0 HD23 LEU X 102 -23.582 4.864 -4.462 1.00 42.04 H new ATOM 1765 N GLU X 103 -22.996 9.589 -6.202 1.00 4.00 N ATOM 1766 CA GLU X 103 -23.581 10.867 -6.713 1.00 23.43 C ATOM 1767 C GLU X 103 -23.816 10.759 -8.221 1.00 3.04 C ATOM 1768 O GLU X 103 -22.923 10.444 -8.989 1.00 71.20 O ATOM 1769 CB GLU X 103 -22.588 12.001 -6.473 1.00 51.34 C ATOM 1770 CG GLU X 103 -22.451 12.282 -4.977 1.00 51.21 C ATOM 1771 CD GLU X 103 -21.388 13.360 -4.771 1.00 21.11 C ATOM 1772 OE1 GLU X 103 -20.831 13.813 -5.754 1.00 62.22 O ATOM 1773 OE2 GLU X 103 -21.146 13.712 -3.626 1.00 13.43 O ATOM 0 H GLU X 103 -21.983 9.513 -6.298 1.00 4.00 H new ATOM 0 HA GLU X 103 -24.522 11.060 -6.197 1.00 23.43 H new ATOM 0 HB2 GLU X 103 -21.616 11.736 -6.890 1.00 51.34 H new ATOM 0 HB3 GLU X 103 -22.922 12.901 -6.989 1.00 51.34 H new ATOM 0 HG2 GLU X 103 -23.406 12.611 -4.566 1.00 51.21 H new ATOM 0 HG3 GLU X 103 -22.172 11.372 -4.446 1.00 51.21 H new