USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=13 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 91 LYS NZ :NH3+ 161:sc= -1.09 (180deg=-2.83) USER MOD Set 1.2: X 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: X 90 ASN : amide:sc= -0.602 K(o=-2.5,f=-3.5) USER MOD Set 2.2: X 94 GLN : amide:sc= -1.89 X(o=-2.5,f=-2.9) USER MOD Set 3.1: X 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: X 47 GLN : amide:sc= -0.464 K(o=-0.46,f=-1.1!) 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 : amide:sc= -0.0351 K(o=-0.035,f=-1.2!) USER MOD Single : X 18 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0665) USER MOD Single : X 35 ASN : amide:sc= -3.89! C(o=-3.9!,f=-7.1!) USER MOD Single : X 36 SER OG : rot 71:sc= 0.737 USER MOD Single : X 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 45 LYS NZ :NH3+ -125:sc= 0.202 (180deg=-0.606) USER MOD Single : X 46 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : X 53 ASN : amide:sc= -8.31! C(o=-8.3!,f=-7.3!) USER MOD Single : X 59 LYS NZ :NH3+ -144:sc= 0 (180deg=-2.07) USER MOD Single : X 60 TYR OH : rot 180:sc= 0 USER MOD Single : X 62 TYR OH : rot 180:sc= 0 USER MOD Single : X 67 LYS NZ :NH3+ -169:sc=-0.00252 (180deg=-0.137) USER MOD Single : X 69 CYS SG : rot -79:sc= 0.198! USER MOD Single : X 70 LYS NZ :NH3+ -165:sc=-0.00962 (180deg=-0.3) USER MOD Single : X 72 HIS : no HD1:sc= -13.4! C(o=-13!,f=-22!) USER MOD Single : X 73 ASN : amide:sc= -3.71! C(o=-3.7!,f=-5.5!) USER MOD Single : X 77 ASN : amide:sc= -5.96! K(o=-6!,f=-0.47) USER MOD Single : X 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 84 GLN : amide:sc= -0.0321 K(o=-0.032,f=-1.7!) USER MOD Single : X 89 HIS : no HE2:sc= -2.88! C(o=-2.9!,f=-9.6!) USER MOD Single : X 96 GLN : amide:sc= -0.202 X(o=-0.2,f=-0.2) USER MOD Single : X 97 TYR OH : rot 180:sc= 0 USER MOD Single : X 101 THR OG1 : rot 15:sc= 0.688 USER MOD ----------------------------------------------------------------- ATOM 54 N LYS X 4 -11.992 -11.520 -1.967 1.00 52.15 N ATOM 55 CA LYS X 4 -11.630 -10.453 -2.949 1.00 51.42 C ATOM 56 C LYS X 4 -10.734 -9.402 -2.271 1.00 14.52 C ATOM 57 O LYS X 4 -9.755 -8.952 -2.831 1.00 43.43 O ATOM 58 CB LYS X 4 -12.914 -9.782 -3.455 1.00 63.21 C ATOM 59 CG LYS X 4 -13.761 -10.793 -4.242 1.00 64.34 C ATOM 60 CD LYS X 4 -14.923 -11.290 -3.370 1.00 64.45 C ATOM 61 CE LYS X 4 -16.071 -10.271 -3.400 1.00 62.12 C ATOM 62 NZ LYS X 4 -17.245 -10.815 -2.655 1.00 55.51 N ATOM 0 HA LYS X 4 -11.089 -10.896 -3.785 1.00 51.42 H new ATOM 0 HB2 LYS X 4 -13.487 -9.393 -2.613 1.00 63.21 H new ATOM 0 HB3 LYS X 4 -12.664 -8.932 -4.090 1.00 63.21 H new ATOM 0 HG2 LYS X 4 -14.148 -10.329 -5.149 1.00 64.34 H new ATOM 0 HG3 LYS X 4 -13.142 -11.635 -4.554 1.00 64.34 H new ATOM 0 HD2 LYS X 4 -15.273 -12.257 -3.732 1.00 64.45 H new ATOM 0 HD3 LYS X 4 -14.583 -11.438 -2.345 1.00 64.45 H new ATOM 0 HE2 LYS X 4 -15.748 -9.331 -2.953 1.00 62.12 H new ATOM 0 HE3 LYS X 4 -16.351 -10.054 -4.431 1.00 62.12 H new ATOM 0 HZ1 LYS X 4 -18.021 -10.123 -2.677 1.00 55.51 H new ATOM 0 HZ2 LYS X 4 -17.559 -11.701 -3.100 1.00 55.51 H new ATOM 0 HZ3 LYS X 4 -16.974 -11.000 -1.668 1.00 55.51 H new ATOM 76 N LEU X 5 -11.072 -9.009 -1.071 1.00 23.41 N ATOM 77 CA LEU X 5 -10.254 -7.997 -0.331 1.00 62.04 C ATOM 78 C LEU X 5 -8.858 -8.571 -0.066 1.00 43.34 C ATOM 79 O LEU X 5 -7.867 -7.867 -0.095 1.00 44.02 O ATOM 80 CB LEU X 5 -10.955 -7.695 1.002 1.00 62.32 C ATOM 81 CG LEU X 5 -10.210 -6.609 1.791 1.00 22.32 C ATOM 82 CD1 LEU X 5 -11.233 -5.680 2.454 1.00 51.13 C ATOM 83 CD2 LEU X 5 -9.353 -7.260 2.881 1.00 34.41 C ATOM 0 H LEU X 5 -11.889 -9.349 -0.564 1.00 23.41 H new ATOM 0 HA LEU X 5 -10.156 -7.083 -0.916 1.00 62.04 H new ATOM 0 HB2 LEU X 5 -11.978 -7.372 0.812 1.00 62.32 H new ATOM 0 HB3 LEU X 5 -11.014 -8.605 1.599 1.00 62.32 H new ATOM 0 HG LEU X 5 -9.572 -6.043 1.113 1.00 22.32 H new ATOM 0 HD11 LEU X 5 -10.711 -4.906 3.016 1.00 51.13 H new ATOM 0 HD12 LEU X 5 -11.853 -5.216 1.687 1.00 51.13 H new ATOM 0 HD13 LEU X 5 -11.864 -6.257 3.131 1.00 51.13 H new ATOM 0 HD21 LEU X 5 -8.825 -6.487 3.439 1.00 34.41 H new ATOM 0 HD22 LEU X 5 -9.994 -7.824 3.559 1.00 34.41 H new ATOM 0 HD23 LEU X 5 -8.629 -7.933 2.421 1.00 34.41 H new ATOM 95 N ALA X 6 -8.778 -9.846 0.206 1.00 2.22 N ATOM 96 CA ALA X 6 -7.457 -10.473 0.498 1.00 51.22 C ATOM 97 C ALA X 6 -6.573 -10.450 -0.753 1.00 72.23 C ATOM 98 O ALA X 6 -5.502 -9.871 -0.756 1.00 52.14 O ATOM 99 CB ALA X 6 -7.673 -11.922 0.932 1.00 71.23 C ATOM 0 H ALA X 6 -9.574 -10.483 0.239 1.00 2.22 H new ATOM 0 HA ALA X 6 -6.965 -9.913 1.293 1.00 51.22 H new ATOM 0 HB1 ALA X 6 -6.710 -12.385 1.147 1.00 71.23 H new ATOM 0 HB2 ALA X 6 -8.294 -11.945 1.827 1.00 71.23 H new ATOM 0 HB3 ALA X 6 -8.169 -12.471 0.132 1.00 71.23 H new ATOM 105 N GLU X 7 -6.999 -11.093 -1.806 1.00 41.10 N ATOM 106 CA GLU X 7 -6.172 -11.128 -3.049 1.00 41.35 C ATOM 107 C GLU X 7 -5.756 -9.707 -3.435 1.00 43.42 C ATOM 108 O GLU X 7 -4.654 -9.478 -3.897 1.00 11.00 O ATOM 109 CB GLU X 7 -6.978 -11.752 -4.196 1.00 33.42 C ATOM 110 CG GLU X 7 -7.232 -13.235 -3.908 1.00 64.12 C ATOM 111 CD GLU X 7 -8.108 -13.832 -5.012 1.00 4.53 C ATOM 112 OE1 GLU X 7 -8.481 -13.097 -5.911 1.00 54.31 O ATOM 113 OE2 GLU X 7 -8.393 -15.016 -4.942 1.00 73.02 O ATOM 0 H GLU X 7 -7.884 -11.596 -1.861 1.00 41.10 H new ATOM 0 HA GLU X 7 -5.282 -11.729 -2.864 1.00 41.35 H new ATOM 0 HB2 GLU X 7 -7.926 -11.228 -4.313 1.00 33.42 H new ATOM 0 HB3 GLU X 7 -6.435 -11.643 -5.135 1.00 33.42 H new ATOM 0 HG2 GLU X 7 -6.285 -13.772 -3.852 1.00 64.12 H new ATOM 0 HG3 GLU X 7 -7.721 -13.349 -2.941 1.00 64.12 H new ATOM 120 N ILE X 8 -6.628 -8.754 -3.254 1.00 32.53 N ATOM 121 CA ILE X 8 -6.295 -7.349 -3.623 1.00 75.11 C ATOM 122 C ILE X 8 -5.115 -6.860 -2.775 1.00 54.43 C ATOM 123 O ILE X 8 -4.161 -6.302 -3.283 1.00 24.33 O ATOM 124 CB ILE X 8 -7.512 -6.452 -3.364 1.00 31.11 C ATOM 125 CG1 ILE X 8 -8.564 -6.685 -4.457 1.00 1.40 C ATOM 126 CG2 ILE X 8 -7.073 -4.987 -3.379 1.00 51.31 C ATOM 127 CD1 ILE X 8 -9.881 -6.003 -4.070 1.00 75.31 C ATOM 0 H ILE X 8 -7.561 -8.888 -2.865 1.00 32.53 H new ATOM 0 HA ILE X 8 -6.026 -7.307 -4.678 1.00 75.11 H new ATOM 0 HB ILE X 8 -7.943 -6.693 -2.392 1.00 31.11 H new ATOM 0 HG12 ILE X 8 -8.206 -6.290 -5.408 1.00 1.40 H new ATOM 0 HG13 ILE X 8 -8.725 -7.754 -4.596 1.00 1.40 H new ATOM 0 HG21 ILE X 8 -7.936 -4.347 -3.195 1.00 51.31 H new ATOM 0 HG22 ILE X 8 -6.327 -4.823 -2.601 1.00 51.31 H new ATOM 0 HG23 ILE X 8 -6.643 -4.746 -4.351 1.00 51.31 H new ATOM 0 HD11 ILE X 8 -10.622 -6.173 -4.851 1.00 75.31 H new ATOM 0 HD12 ILE X 8 -10.243 -6.418 -3.129 1.00 75.31 H new ATOM 0 HD13 ILE X 8 -9.716 -4.932 -3.954 1.00 75.31 H new ATOM 139 N ARG X 9 -5.178 -7.066 -1.484 1.00 10.22 N ATOM 140 CA ARG X 9 -4.071 -6.614 -0.584 1.00 52.14 C ATOM 141 C ARG X 9 -2.816 -7.447 -0.881 1.00 22.52 C ATOM 142 O ARG X 9 -1.705 -7.039 -0.597 1.00 14.14 O ATOM 143 CB ARG X 9 -4.503 -6.795 0.889 1.00 14.43 C ATOM 144 CG ARG X 9 -5.645 -5.825 1.243 1.00 41.23 C ATOM 145 CD ARG X 9 -5.741 -5.629 2.777 1.00 21.02 C ATOM 146 NE ARG X 9 -6.968 -4.830 3.090 1.00 23.31 N ATOM 147 CZ ARG X 9 -7.245 -4.619 4.345 1.00 73.25 C ATOM 148 NH1 ARG X 9 -6.741 -5.412 5.240 1.00 14.21 N ATOM 149 NH2 ARG X 9 -8.149 -3.739 4.684 1.00 51.23 N ATOM 0 H ARG X 9 -5.953 -7.531 -1.011 1.00 10.22 H new ATOM 0 HA ARG X 9 -3.850 -5.561 -0.757 1.00 52.14 H new ATOM 0 HB2 ARG X 9 -4.827 -7.822 1.055 1.00 14.43 H new ATOM 0 HB3 ARG X 9 -3.652 -6.619 1.547 1.00 14.43 H new ATOM 0 HG2 ARG X 9 -5.476 -4.863 0.758 1.00 41.23 H new ATOM 0 HG3 ARG X 9 -6.590 -6.212 0.861 1.00 41.23 H new ATOM 0 HD2 ARG X 9 -5.783 -6.596 3.278 1.00 21.02 H new ATOM 0 HD3 ARG X 9 -4.853 -5.116 3.147 1.00 21.02 H new ATOM 0 HE ARG X 9 -7.565 -4.465 2.348 1.00 23.31 H new ATOM 0 HH11 ARG X 9 -6.139 -6.185 4.956 1.00 14.21 H new ATOM 0 HH12 ARG X 9 -6.947 -5.262 6.228 1.00 14.21 H new ATOM 0 HH21 ARG X 9 -8.643 -3.212 3.964 1.00 51.23 H new ATOM 0 HH22 ARG X 9 -8.361 -3.579 5.669 1.00 51.23 H new ATOM 163 N LYS X 10 -2.987 -8.605 -1.469 1.00 74.42 N ATOM 164 CA LYS X 10 -1.813 -9.453 -1.839 1.00 44.25 C ATOM 165 C LYS X 10 -1.036 -8.759 -2.967 1.00 60.44 C ATOM 166 O LYS X 10 0.180 -8.768 -2.993 1.00 43.15 O ATOM 167 CB LYS X 10 -2.317 -10.820 -2.320 1.00 52.12 C ATOM 168 CG LYS X 10 -1.140 -11.774 -2.554 1.00 52.31 C ATOM 169 CD LYS X 10 -1.650 -13.116 -3.092 1.00 63.24 C ATOM 170 CE LYS X 10 -2.223 -13.955 -1.943 1.00 55.55 C ATOM 171 NZ LYS X 10 -2.490 -15.344 -2.419 1.00 1.32 N ATOM 0 H LYS X 10 -3.895 -9.001 -1.710 1.00 74.42 H new ATOM 0 HA LYS X 10 -1.159 -9.591 -0.978 1.00 44.25 H new ATOM 0 HB2 LYS X 10 -2.996 -11.245 -1.580 1.00 52.12 H new ATOM 0 HB3 LYS X 10 -2.885 -10.701 -3.243 1.00 52.12 H new ATOM 0 HG2 LYS X 10 -0.439 -11.332 -3.262 1.00 52.31 H new ATOM 0 HG3 LYS X 10 -0.597 -11.930 -1.622 1.00 52.31 H new ATOM 0 HD2 LYS X 10 -2.417 -12.947 -3.848 1.00 63.24 H new ATOM 0 HD3 LYS X 10 -0.837 -13.656 -3.578 1.00 63.24 H new ATOM 0 HE2 LYS X 10 -1.521 -13.975 -1.109 1.00 55.55 H new ATOM 0 HE3 LYS X 10 -3.144 -13.503 -1.574 1.00 55.55 H new ATOM 0 HZ1 LYS X 10 -2.878 -15.910 -1.638 1.00 1.32 H new ATOM 0 HZ2 LYS X 10 -3.175 -15.317 -3.201 1.00 1.32 H new ATOM 0 HZ3 LYS X 10 -1.603 -15.774 -2.750 1.00 1.32 H new ATOM 185 N LYS X 11 -1.735 -8.142 -3.893 1.00 31.31 N ATOM 186 CA LYS X 11 -1.045 -7.409 -4.997 1.00 5.35 C ATOM 187 C LYS X 11 -0.170 -6.306 -4.387 1.00 41.13 C ATOM 188 O LYS X 11 0.962 -6.105 -4.785 1.00 14.40 O ATOM 189 CB LYS X 11 -2.087 -6.768 -5.933 1.00 45.03 C ATOM 190 CG LYS X 11 -3.144 -7.802 -6.345 1.00 21.24 C ATOM 191 CD LYS X 11 -3.735 -7.416 -7.708 1.00 30.51 C ATOM 192 CE LYS X 11 -4.799 -8.436 -8.125 1.00 11.34 C ATOM 193 NZ LYS X 11 -5.315 -8.101 -9.483 1.00 34.04 N ATOM 0 H LYS X 11 -2.754 -8.116 -3.929 1.00 31.31 H new ATOM 0 HA LYS X 11 -0.431 -8.105 -5.568 1.00 5.35 H new ATOM 0 HB2 LYS X 11 -2.567 -5.928 -5.432 1.00 45.03 H new ATOM 0 HB3 LYS X 11 -1.593 -6.370 -6.820 1.00 45.03 H new ATOM 0 HG2 LYS X 11 -2.696 -8.794 -6.399 1.00 21.24 H new ATOM 0 HG3 LYS X 11 -3.933 -7.849 -5.595 1.00 21.24 H new ATOM 0 HD2 LYS X 11 -4.175 -6.420 -7.654 1.00 30.51 H new ATOM 0 HD3 LYS X 11 -2.945 -7.375 -8.458 1.00 30.51 H new ATOM 0 HE2 LYS X 11 -4.374 -9.440 -8.125 1.00 11.34 H new ATOM 0 HE3 LYS X 11 -5.617 -8.437 -7.405 1.00 11.34 H new ATOM 0 HZ1 LYS X 11 -6.037 -8.796 -9.761 1.00 34.04 H new ATOM 0 HZ2 LYS X 11 -5.737 -7.150 -9.469 1.00 34.04 H new ATOM 0 HZ3 LYS X 11 -4.532 -8.122 -10.167 1.00 34.04 H new ATOM 207 N ILE X 12 -0.686 -5.600 -3.413 1.00 43.21 N ATOM 208 CA ILE X 12 0.106 -4.516 -2.763 1.00 73.24 C ATOM 209 C ILE X 12 1.375 -5.124 -2.159 1.00 14.44 C ATOM 210 O ILE X 12 2.438 -4.539 -2.192 1.00 50.33 O ATOM 211 CB ILE X 12 -0.728 -3.868 -1.649 1.00 33.34 C ATOM 212 CG1 ILE X 12 -2.122 -3.506 -2.182 1.00 32.35 C ATOM 213 CG2 ILE X 12 -0.032 -2.593 -1.168 1.00 70.11 C ATOM 214 CD1 ILE X 12 -1.997 -2.768 -3.520 1.00 24.34 C ATOM 0 H ILE X 12 -1.626 -5.730 -3.039 1.00 43.21 H new ATOM 0 HA ILE X 12 0.371 -3.759 -3.501 1.00 73.24 H new ATOM 0 HB ILE X 12 -0.826 -4.572 -0.823 1.00 33.34 H new ATOM 0 HG12 ILE X 12 -2.717 -4.410 -2.310 1.00 32.35 H new ATOM 0 HG13 ILE X 12 -2.645 -2.880 -1.459 1.00 32.35 H new ATOM 0 HG21 ILE X 12 -0.623 -2.132 -0.377 1.00 70.11 H new ATOM 0 HG22 ILE X 12 0.957 -2.841 -0.784 1.00 70.11 H new ATOM 0 HG23 ILE X 12 0.067 -1.896 -2.000 1.00 70.11 H new ATOM 0 HD11 ILE X 12 -2.991 -2.515 -3.890 1.00 24.34 H new ATOM 0 HD12 ILE X 12 -1.419 -1.855 -3.379 1.00 24.34 H new ATOM 0 HD13 ILE X 12 -1.492 -3.409 -4.243 1.00 24.34 H new ATOM 226 N ASP X 13 1.262 -6.306 -1.609 1.00 63.41 N ATOM 227 CA ASP X 13 2.450 -6.976 -1.001 1.00 21.14 C ATOM 228 C ASP X 13 3.576 -7.044 -2.036 1.00 62.13 C ATOM 229 O ASP X 13 4.721 -6.754 -1.744 1.00 30.12 O ATOM 230 CB ASP X 13 2.055 -8.394 -0.577 1.00 60.11 C ATOM 231 CG ASP X 13 3.158 -9.006 0.289 1.00 41.41 C ATOM 232 OD1 ASP X 13 3.912 -8.246 0.872 1.00 24.30 O ATOM 233 OD2 ASP X 13 3.236 -10.221 0.347 1.00 21.15 O ATOM 0 H ASP X 13 0.393 -6.838 -1.555 1.00 63.41 H new ATOM 0 HA ASP X 13 2.793 -6.414 -0.132 1.00 21.14 H new ATOM 0 HB2 ASP X 13 1.117 -8.369 -0.022 1.00 60.11 H new ATOM 0 HB3 ASP X 13 1.887 -9.013 -1.458 1.00 60.11 H new ATOM 238 N GLU X 14 3.257 -7.419 -3.248 1.00 22.41 N ATOM 239 CA GLU X 14 4.296 -7.485 -4.316 1.00 31.43 C ATOM 240 C GLU X 14 4.842 -6.077 -4.577 1.00 42.01 C ATOM 241 O GLU X 14 5.972 -5.904 -4.995 1.00 74.03 O ATOM 242 CB GLU X 14 3.670 -8.031 -5.608 1.00 74.51 C ATOM 243 CG GLU X 14 3.204 -9.477 -5.396 1.00 71.42 C ATOM 244 CD GLU X 14 4.419 -10.372 -5.140 1.00 4.10 C ATOM 245 OE1 GLU X 14 5.516 -9.965 -5.483 1.00 40.13 O ATOM 246 OE2 GLU X 14 4.233 -11.452 -4.604 1.00 4.10 O ATOM 0 H GLU X 14 2.317 -7.683 -3.544 1.00 22.41 H new ATOM 0 HA GLU X 14 5.105 -8.142 -3.997 1.00 31.43 H new ATOM 0 HB2 GLU X 14 2.826 -7.408 -5.904 1.00 74.51 H new ATOM 0 HB3 GLU X 14 4.397 -7.990 -6.419 1.00 74.51 H new ATOM 0 HG2 GLU X 14 2.516 -9.529 -4.552 1.00 71.42 H new ATOM 0 HG3 GLU X 14 2.659 -9.827 -6.273 1.00 71.42 H new ATOM 253 N ILE X 15 4.048 -5.068 -4.325 1.00 42.15 N ATOM 254 CA ILE X 15 4.516 -3.666 -4.546 1.00 70.32 C ATOM 255 C ILE X 15 5.276 -3.188 -3.303 1.00 52.54 C ATOM 256 O ILE X 15 6.336 -2.601 -3.395 1.00 64.24 O ATOM 257 CB ILE X 15 3.310 -2.749 -4.771 1.00 11.41 C ATOM 258 CG1 ILE X 15 2.811 -2.866 -6.218 1.00 53.34 C ATOM 259 CG2 ILE X 15 3.723 -1.302 -4.494 1.00 32.34 C ATOM 260 CD1 ILE X 15 1.916 -4.099 -6.371 1.00 64.11 C ATOM 0 H ILE X 15 3.094 -5.155 -3.975 1.00 42.15 H new ATOM 0 HA ILE X 15 5.167 -3.636 -5.420 1.00 70.32 H new ATOM 0 HB ILE X 15 2.507 -3.046 -4.097 1.00 11.41 H new ATOM 0 HG12 ILE X 15 2.256 -1.969 -6.493 1.00 53.34 H new ATOM 0 HG13 ILE X 15 3.660 -2.937 -6.898 1.00 53.34 H new ATOM 0 HG21 ILE X 15 2.869 -0.643 -4.652 1.00 32.34 H new ATOM 0 HG22 ILE X 15 4.064 -1.212 -3.463 1.00 32.34 H new ATOM 0 HG23 ILE X 15 4.530 -1.018 -5.169 1.00 32.34 H new ATOM 0 HD11 ILE X 15 1.569 -4.171 -7.402 1.00 64.11 H new ATOM 0 HD12 ILE X 15 2.483 -4.994 -6.116 1.00 64.11 H new ATOM 0 HD13 ILE X 15 1.058 -4.011 -5.704 1.00 64.11 H new ATOM 272 N ASP X 16 4.731 -3.433 -2.139 1.00 1.41 N ATOM 273 CA ASP X 16 5.396 -2.989 -0.879 1.00 14.24 C ATOM 274 C ASP X 16 6.876 -3.391 -0.899 1.00 21.12 C ATOM 275 O ASP X 16 7.753 -2.577 -0.697 1.00 55.21 O ATOM 276 CB ASP X 16 4.698 -3.657 0.312 1.00 11.34 C ATOM 277 CG ASP X 16 3.309 -3.051 0.515 1.00 20.42 C ATOM 278 OD1 ASP X 16 3.024 -2.050 -0.121 1.00 52.11 O ATOM 279 OD2 ASP X 16 2.556 -3.591 1.306 1.00 21.51 O ATOM 0 H ASP X 16 3.847 -3.925 -2.008 1.00 1.41 H new ATOM 0 HA ASP X 16 5.326 -1.905 -0.791 1.00 14.24 H new ATOM 0 HB2 ASP X 16 4.613 -4.730 0.139 1.00 11.34 H new ATOM 0 HB3 ASP X 16 5.296 -3.526 1.214 1.00 11.34 H new ATOM 284 N ASN X 17 7.159 -4.647 -1.135 1.00 11.55 N ATOM 285 CA ASN X 17 8.579 -5.104 -1.203 1.00 31.14 C ATOM 286 C ASN X 17 9.285 -4.453 -2.401 1.00 52.35 C ATOM 287 O ASN X 17 10.449 -4.106 -2.333 1.00 32.13 O ATOM 288 CB ASN X 17 8.612 -6.623 -1.364 1.00 44.11 C ATOM 289 CG ASN X 17 10.037 -7.118 -1.131 1.00 61.33 C ATOM 290 OD1 ASN X 17 10.741 -6.599 -0.288 1.00 45.44 O ATOM 291 ND2 ASN X 17 10.501 -8.093 -1.854 1.00 64.33 N ATOM 0 H ASN X 17 6.464 -5.378 -1.284 1.00 11.55 H new ATOM 0 HA ASN X 17 9.092 -4.815 -0.285 1.00 31.14 H new ATOM 0 HB2 ASN X 17 7.930 -7.091 -0.654 1.00 44.11 H new ATOM 0 HB3 ASN X 17 8.275 -6.903 -2.362 1.00 44.11 H new ATOM 0 HD21 ASN X 17 11.456 -8.422 -1.714 1.00 64.33 H new ATOM 0 HD22 ASN X 17 9.910 -8.529 -2.562 1.00 64.33 H new ATOM 298 N LYS X 18 8.592 -4.301 -3.494 1.00 1.21 N ATOM 299 CA LYS X 18 9.219 -3.709 -4.715 1.00 54.12 C ATOM 300 C LYS X 18 9.699 -2.282 -4.416 1.00 65.11 C ATOM 301 O LYS X 18 10.786 -1.893 -4.799 1.00 30.41 O ATOM 302 CB LYS X 18 8.174 -3.684 -5.841 1.00 42.22 C ATOM 303 CG LYS X 18 8.826 -3.298 -7.177 1.00 44.32 C ATOM 304 CD LYS X 18 7.762 -3.309 -8.287 1.00 51.33 C ATOM 305 CE LYS X 18 8.422 -3.077 -9.652 1.00 41.30 C ATOM 306 NZ LYS X 18 8.915 -1.670 -9.741 1.00 22.15 N ATOM 0 H LYS X 18 7.611 -4.562 -3.598 1.00 1.21 H new ATOM 0 HA LYS X 18 10.077 -4.309 -5.019 1.00 54.12 H new ATOM 0 HB2 LYS X 18 7.704 -4.663 -5.929 1.00 42.22 H new ATOM 0 HB3 LYS X 18 7.385 -2.973 -5.596 1.00 42.22 H new ATOM 0 HG2 LYS X 18 9.278 -2.309 -7.101 1.00 44.32 H new ATOM 0 HG3 LYS X 18 9.627 -3.997 -7.419 1.00 44.32 H new ATOM 0 HD2 LYS X 18 7.235 -4.263 -8.287 1.00 51.33 H new ATOM 0 HD3 LYS X 18 7.019 -2.534 -8.097 1.00 51.33 H new ATOM 0 HE2 LYS X 18 9.250 -3.772 -9.789 1.00 41.30 H new ATOM 0 HE3 LYS X 18 7.706 -3.273 -10.451 1.00 41.30 H new ATOM 0 HZ1 LYS X 18 9.238 -1.476 -10.710 1.00 22.15 H new ATOM 0 HZ2 LYS X 18 8.145 -1.016 -9.496 1.00 22.15 H new ATOM 0 HZ3 LYS X 18 9.706 -1.537 -9.079 1.00 22.15 H new ATOM 320 N ILE X 19 8.899 -1.495 -3.747 1.00 64.10 N ATOM 321 CA ILE X 19 9.308 -0.090 -3.448 1.00 23.24 C ATOM 322 C ILE X 19 10.443 -0.084 -2.417 1.00 73.11 C ATOM 323 O ILE X 19 11.279 0.799 -2.412 1.00 40.50 O ATOM 324 CB ILE X 19 8.107 0.687 -2.902 1.00 73.31 C ATOM 325 CG1 ILE X 19 8.550 2.107 -2.521 1.00 71.33 C ATOM 326 CG2 ILE X 19 7.529 -0.035 -1.682 1.00 73.03 C ATOM 327 CD1 ILE X 19 8.811 2.205 -1.014 1.00 44.32 C ATOM 0 H ILE X 19 7.980 -1.763 -3.394 1.00 64.10 H new ATOM 0 HA ILE X 19 9.660 0.385 -4.364 1.00 23.24 H new ATOM 0 HB ILE X 19 7.334 0.747 -3.668 1.00 73.31 H new ATOM 0 HG12 ILE X 19 9.454 2.371 -3.070 1.00 71.33 H new ATOM 0 HG13 ILE X 19 7.781 2.823 -2.810 1.00 71.33 H new ATOM 0 HG21 ILE X 19 6.675 0.524 -1.299 1.00 73.03 H new ATOM 0 HG22 ILE X 19 7.208 -1.036 -1.970 1.00 73.03 H new ATOM 0 HG23 ILE X 19 8.292 -0.108 -0.907 1.00 73.03 H new ATOM 0 HD11 ILE X 19 9.124 3.219 -0.764 1.00 44.32 H new ATOM 0 HD12 ILE X 19 7.898 1.963 -0.470 1.00 44.32 H new ATOM 0 HD13 ILE X 19 9.597 1.503 -0.734 1.00 44.32 H new ATOM 339 N LEU X 20 10.486 -1.062 -1.555 1.00 24.32 N ATOM 340 CA LEU X 20 11.579 -1.121 -0.542 1.00 24.32 C ATOM 341 C LEU X 20 12.905 -1.417 -1.256 1.00 3.21 C ATOM 342 O LEU X 20 13.956 -0.967 -0.849 1.00 52.12 O ATOM 343 CB LEU X 20 11.291 -2.249 0.460 1.00 61.32 C ATOM 344 CG LEU X 20 10.234 -1.817 1.486 1.00 52.11 C ATOM 345 CD1 LEU X 20 9.823 -3.036 2.317 1.00 42.33 C ATOM 346 CD2 LEU X 20 10.807 -0.747 2.421 1.00 1.53 C ATOM 0 H LEU X 20 9.810 -1.825 -1.508 1.00 24.32 H new ATOM 0 HA LEU X 20 11.640 -0.169 -0.014 1.00 24.32 H new ATOM 0 HB2 LEU X 20 10.945 -3.134 -0.073 1.00 61.32 H new ATOM 0 HB3 LEU X 20 12.211 -2.526 0.975 1.00 61.32 H new ATOM 0 HG LEU X 20 9.372 -1.406 0.960 1.00 52.11 H new ATOM 0 HD11 LEU X 20 9.072 -2.740 3.050 1.00 42.33 H new ATOM 0 HD12 LEU X 20 9.408 -3.801 1.660 1.00 42.33 H new ATOM 0 HD13 LEU X 20 10.696 -3.435 2.833 1.00 42.33 H new ATOM 0 HD21 LEU X 20 10.047 -0.450 3.143 1.00 1.53 H new ATOM 0 HD22 LEU X 20 11.671 -1.150 2.949 1.00 1.53 H new ATOM 0 HD23 LEU X 20 11.111 0.121 1.837 1.00 1.53 H new ATOM 561 N ALA X 32 0.480 4.556 -8.795 1.00 11.53 N ATOM 562 CA ALA X 32 -0.672 4.110 -9.633 1.00 65.33 C ATOM 563 C ALA X 32 -1.208 2.771 -9.110 1.00 53.52 C ATOM 564 O ALA X 32 -2.335 2.676 -8.668 1.00 50.42 O ATOM 565 CB ALA X 32 -0.207 3.940 -11.081 1.00 32.50 C ATOM 0 HA ALA X 32 -1.464 4.857 -9.585 1.00 65.33 H new ATOM 0 HB1 ALA X 32 -1.046 3.614 -11.697 1.00 32.50 H new ATOM 0 HB2 ALA X 32 0.170 4.891 -11.456 1.00 32.50 H new ATOM 0 HB3 ALA X 32 0.586 3.193 -11.123 1.00 32.50 H new ATOM 571 N GLU X 33 -0.407 1.738 -9.162 1.00 12.14 N ATOM 572 CA GLU X 33 -0.871 0.399 -8.684 1.00 34.15 C ATOM 573 C GLU X 33 -1.491 0.540 -7.293 1.00 20.35 C ATOM 574 O GLU X 33 -2.581 0.068 -7.033 1.00 1.03 O ATOM 575 CB GLU X 33 0.331 -0.557 -8.608 1.00 61.15 C ATOM 576 CG GLU X 33 0.855 -0.852 -10.019 1.00 23.50 C ATOM 577 CD GLU X 33 2.115 -1.719 -9.929 1.00 42.02 C ATOM 578 OE1 GLU X 33 2.503 -2.052 -8.822 1.00 2.42 O ATOM 579 OE2 GLU X 33 2.671 -2.035 -10.967 1.00 62.24 O ATOM 0 H GLU X 33 0.550 1.763 -9.515 1.00 12.14 H new ATOM 0 HA GLU X 33 -1.614 0.003 -9.376 1.00 34.15 H new ATOM 0 HB2 GLU X 33 1.122 -0.113 -8.003 1.00 61.15 H new ATOM 0 HB3 GLU X 33 0.038 -1.486 -8.118 1.00 61.15 H new ATOM 0 HG2 GLU X 33 0.090 -1.364 -10.602 1.00 23.50 H new ATOM 0 HG3 GLU X 33 1.079 0.081 -10.537 1.00 23.50 H new ATOM 586 N ARG X 34 -0.797 1.190 -6.394 1.00 72.02 N ATOM 587 CA ARG X 34 -1.336 1.380 -5.017 1.00 40.04 C ATOM 588 C ARG X 34 -2.680 2.108 -5.099 1.00 13.35 C ATOM 589 O ARG X 34 -3.642 1.733 -4.460 1.00 44.33 O ATOM 590 CB ARG X 34 -0.344 2.208 -4.195 1.00 64.13 C ATOM 591 CG ARG X 34 -0.961 2.519 -2.803 1.00 70.43 C ATOM 592 CD ARG X 34 -1.226 1.202 -2.010 1.00 31.35 C ATOM 593 NE ARG X 34 -0.935 1.431 -0.577 1.00 20.42 N ATOM 594 CZ ARG X 34 -1.259 0.429 0.266 1.00 54.30 C ATOM 595 NH1 ARG X 34 -1.867 -0.537 -0.261 1.00 52.41 N ATOM 596 NH2 ARG X 34 -0.980 0.402 1.566 1.00 45.20 N ATOM 0 H ARG X 34 0.123 1.598 -6.557 1.00 72.02 H new ATOM 0 HA ARG X 34 -1.479 0.412 -4.537 1.00 40.04 H new ATOM 0 HB2 ARG X 34 0.592 1.662 -4.077 1.00 64.13 H new ATOM 0 HB3 ARG X 34 -0.108 3.136 -4.716 1.00 64.13 H new ATOM 0 HG2 ARG X 34 -0.287 3.161 -2.236 1.00 70.43 H new ATOM 0 HG3 ARG X 34 -1.894 3.068 -2.928 1.00 70.43 H new ATOM 0 HD2 ARG X 34 -2.262 0.889 -2.138 1.00 31.35 H new ATOM 0 HD3 ARG X 34 -0.600 0.398 -2.397 1.00 31.35 H new ATOM 0 HE ARG X 34 -0.513 2.298 -0.245 1.00 20.42 H new ATOM 0 HH11 ARG X 34 -2.080 -0.523 -1.258 1.00 52.41 H new ATOM 0 HH12 ARG X 34 -2.147 -1.335 0.309 1.00 52.41 H new ATOM 0 HH21 ARG X 34 -0.483 1.181 1.997 1.00 45.20 H new ATOM 0 HH22 ARG X 34 -1.263 -0.398 2.132 1.00 45.20 H new ATOM 610 N ASN X 35 -2.756 3.151 -5.878 1.00 61.23 N ATOM 611 CA ASN X 35 -4.047 3.879 -6.007 1.00 0.11 C ATOM 612 C ASN X 35 -5.093 2.975 -6.648 1.00 14.32 C ATOM 613 O ASN X 35 -6.233 2.938 -6.225 1.00 55.04 O ATOM 614 CB ASN X 35 -3.836 5.111 -6.840 1.00 42.43 C ATOM 615 CG ASN X 35 -5.172 5.812 -7.038 1.00 15.21 C ATOM 616 OD1 ASN X 35 -6.142 5.195 -7.404 1.00 72.22 O ATOM 617 ND2 ASN X 35 -5.265 7.089 -6.791 1.00 2.04 N ATOM 0 H ASN X 35 -1.984 3.528 -6.428 1.00 61.23 H new ATOM 0 HA ASN X 35 -4.405 4.171 -5.020 1.00 0.11 H new ATOM 0 HB2 ASN X 35 -3.129 5.780 -6.350 1.00 42.43 H new ATOM 0 HB3 ASN X 35 -3.405 4.844 -7.805 1.00 42.43 H new ATOM 0 HD21 ASN X 35 -6.158 7.567 -6.907 1.00 2.04 H new ATOM 0 HD22 ASN X 35 -4.444 7.610 -6.482 1.00 2.04 H new ATOM 624 N SER X 36 -4.717 2.252 -7.665 1.00 55.10 N ATOM 625 CA SER X 36 -5.687 1.345 -8.344 1.00 1.15 C ATOM 626 C SER X 36 -6.486 0.567 -7.297 1.00 53.53 C ATOM 627 O SER X 36 -7.579 0.950 -6.924 1.00 51.50 O ATOM 628 CB SER X 36 -4.918 0.362 -9.225 1.00 73.03 C ATOM 629 OG SER X 36 -4.144 1.085 -10.172 1.00 70.44 O ATOM 0 H SER X 36 -3.776 2.249 -8.058 1.00 55.10 H new ATOM 0 HA SER X 36 -6.371 1.935 -8.954 1.00 1.15 H new ATOM 0 HB2 SER X 36 -4.270 -0.264 -8.611 1.00 73.03 H new ATOM 0 HB3 SER X 36 -5.612 -0.304 -9.738 1.00 73.03 H new ATOM 0 HG SER X 36 -3.400 1.530 -9.715 1.00 70.44 H new ATOM 635 N LEU X 37 -5.948 -0.525 -6.822 1.00 22.01 N ATOM 636 CA LEU X 37 -6.669 -1.337 -5.798 1.00 1.22 C ATOM 637 C LEU X 37 -7.401 -0.395 -4.831 1.00 10.02 C ATOM 638 O LEU X 37 -8.528 -0.637 -4.444 1.00 14.53 O ATOM 639 CB LEU X 37 -5.665 -2.173 -4.988 1.00 40.04 C ATOM 640 CG LEU X 37 -5.048 -3.312 -5.823 1.00 2.42 C ATOM 641 CD1 LEU X 37 -6.134 -4.124 -6.528 1.00 53.04 C ATOM 642 CD2 LEU X 37 -4.080 -2.740 -6.864 1.00 2.43 C ATOM 0 H LEU X 37 -5.037 -0.891 -7.100 1.00 22.01 H new ATOM 0 HA LEU X 37 -7.376 -1.995 -6.303 1.00 1.22 H new ATOM 0 HB2 LEU X 37 -4.871 -1.525 -4.618 1.00 40.04 H new ATOM 0 HB3 LEU X 37 -6.165 -2.594 -4.116 1.00 40.04 H new ATOM 0 HG LEU X 37 -4.505 -3.970 -5.145 1.00 2.42 H new ATOM 0 HD11 LEU X 37 -5.672 -4.921 -7.110 1.00 53.04 H new ATOM 0 HD12 LEU X 37 -6.803 -4.558 -5.785 1.00 53.04 H new ATOM 0 HD13 LEU X 37 -6.702 -3.472 -7.192 1.00 53.04 H new ATOM 0 HD21 LEU X 37 -3.651 -3.554 -7.448 1.00 2.43 H new ATOM 0 HD22 LEU X 37 -4.618 -2.062 -7.527 1.00 2.43 H new ATOM 0 HD23 LEU X 37 -3.282 -2.196 -6.359 1.00 2.43 H new ATOM 654 N ALA X 38 -6.753 0.665 -4.424 1.00 52.33 N ATOM 655 CA ALA X 38 -7.376 1.608 -3.444 1.00 55.24 C ATOM 656 C ALA X 38 -8.846 1.847 -3.804 1.00 43.21 C ATOM 657 O ALA X 38 -9.722 1.765 -2.965 1.00 2.41 O ATOM 658 CB ALA X 38 -6.619 2.941 -3.475 1.00 2.34 C ATOM 0 H ALA X 38 -5.814 0.921 -4.729 1.00 52.33 H new ATOM 0 HA ALA X 38 -7.322 1.175 -2.445 1.00 55.24 H new ATOM 0 HB1 ALA X 38 -7.069 3.632 -2.762 1.00 2.34 H new ATOM 0 HB2 ALA X 38 -5.576 2.773 -3.208 1.00 2.34 H new ATOM 0 HB3 ALA X 38 -6.673 3.367 -4.477 1.00 2.34 H new ATOM 664 N LYS X 39 -9.117 2.149 -5.044 1.00 51.35 N ATOM 665 CA LYS X 39 -10.525 2.388 -5.481 1.00 14.11 C ATOM 666 C LYS X 39 -11.309 1.074 -5.422 1.00 15.30 C ATOM 667 O LYS X 39 -12.379 1.001 -4.849 1.00 51.01 O ATOM 668 CB LYS X 39 -10.508 2.910 -6.924 1.00 14.03 C ATOM 669 CG LYS X 39 -10.862 1.789 -7.911 1.00 21.04 C ATOM 670 CD LYS X 39 -11.125 2.382 -9.301 1.00 32.12 C ATOM 671 CE LYS X 39 -9.988 3.339 -9.678 1.00 71.54 C ATOM 672 NZ LYS X 39 -10.014 3.602 -11.148 1.00 22.11 N ATOM 0 H LYS X 39 -8.418 2.242 -5.781 1.00 51.35 H new ATOM 0 HA LYS X 39 -11.000 3.118 -4.825 1.00 14.11 H new ATOM 0 HB2 LYS X 39 -11.218 3.730 -7.028 1.00 14.03 H new ATOM 0 HB3 LYS X 39 -9.522 3.311 -7.159 1.00 14.03 H new ATOM 0 HG2 LYS X 39 -10.047 1.067 -7.962 1.00 21.04 H new ATOM 0 HG3 LYS X 39 -11.744 1.251 -7.563 1.00 21.04 H new ATOM 0 HD2 LYS X 39 -11.201 1.584 -10.039 1.00 32.12 H new ATOM 0 HD3 LYS X 39 -12.077 2.913 -9.306 1.00 32.12 H new ATOM 0 HE2 LYS X 39 -10.092 4.275 -9.130 1.00 71.54 H new ATOM 0 HE3 LYS X 39 -9.028 2.908 -9.393 1.00 71.54 H new ATOM 0 HZ1 LYS X 39 -9.241 4.251 -11.398 1.00 22.11 H new ATOM 0 HZ2 LYS X 39 -9.894 2.706 -11.663 1.00 22.11 H new ATOM 0 HZ3 LYS X 39 -10.925 4.032 -11.408 1.00 22.11 H new ATOM 686 N ASP X 40 -10.782 0.036 -6.016 1.00 34.42 N ATOM 687 CA ASP X 40 -11.502 -1.270 -6.034 1.00 32.52 C ATOM 688 C ASP X 40 -11.792 -1.721 -4.598 1.00 14.00 C ATOM 689 O ASP X 40 -12.872 -2.189 -4.290 1.00 34.33 O ATOM 690 CB ASP X 40 -10.629 -2.324 -6.723 1.00 53.03 C ATOM 691 CG ASP X 40 -10.569 -2.051 -8.228 1.00 55.24 C ATOM 692 OD1 ASP X 40 -11.314 -1.203 -8.692 1.00 35.04 O ATOM 693 OD2 ASP X 40 -9.775 -2.695 -8.892 1.00 2.04 O ATOM 0 H ASP X 40 -9.880 0.037 -6.491 1.00 34.42 H new ATOM 0 HA ASP X 40 -12.440 -1.154 -6.577 1.00 32.52 H new ATOM 0 HB2 ASP X 40 -9.624 -2.308 -6.302 1.00 53.03 H new ATOM 0 HB3 ASP X 40 -11.035 -3.319 -6.541 1.00 53.03 H new ATOM 698 N VAL X 41 -10.833 -1.588 -3.722 1.00 65.22 N ATOM 699 CA VAL X 41 -11.053 -1.972 -2.297 1.00 12.21 C ATOM 700 C VAL X 41 -12.183 -1.127 -1.706 1.00 5.34 C ATOM 701 O VAL X 41 -13.051 -1.624 -1.018 1.00 13.04 O ATOM 702 CB VAL X 41 -9.770 -1.719 -1.499 1.00 0.52 C ATOM 703 CG1 VAL X 41 -10.042 -1.945 -0.010 1.00 52.23 C ATOM 704 CG2 VAL X 41 -8.670 -2.677 -1.966 1.00 21.13 C ATOM 0 H VAL X 41 -9.902 -1.228 -3.933 1.00 65.22 H new ATOM 0 HA VAL X 41 -11.320 -3.028 -2.245 1.00 12.21 H new ATOM 0 HB VAL X 41 -9.445 -0.691 -1.660 1.00 0.52 H new ATOM 0 HG11 VAL X 41 -9.129 -1.765 0.558 1.00 52.23 H new ATOM 0 HG12 VAL X 41 -10.820 -1.259 0.326 1.00 52.23 H new ATOM 0 HG13 VAL X 41 -10.371 -2.972 0.148 1.00 52.23 H new ATOM 0 HG21 VAL X 41 -7.760 -2.492 -1.395 1.00 21.13 H new ATOM 0 HG22 VAL X 41 -8.994 -3.706 -1.810 1.00 21.13 H new ATOM 0 HG23 VAL X 41 -8.472 -2.515 -3.026 1.00 21.13 H new ATOM 714 N ALA X 42 -12.178 0.151 -1.976 1.00 4.32 N ATOM 715 CA ALA X 42 -13.261 1.034 -1.458 1.00 54.02 C ATOM 716 C ALA X 42 -14.618 0.376 -1.721 1.00 54.21 C ATOM 717 O ALA X 42 -15.455 0.285 -0.846 1.00 22.44 O ATOM 718 CB ALA X 42 -13.189 2.386 -2.175 1.00 4.44 C ATOM 0 H ALA X 42 -11.467 0.622 -2.535 1.00 4.32 H new ATOM 0 HA ALA X 42 -13.139 1.186 -0.386 1.00 54.02 H new ATOM 0 HB1 ALA X 42 -13.978 3.038 -1.802 1.00 4.44 H new ATOM 0 HB2 ALA X 42 -12.219 2.846 -1.987 1.00 4.44 H new ATOM 0 HB3 ALA X 42 -13.318 2.237 -3.247 1.00 4.44 H new ATOM 724 N GLU X 43 -14.831 -0.096 -2.921 1.00 64.53 N ATOM 725 CA GLU X 43 -16.117 -0.779 -3.248 1.00 1.42 C ATOM 726 C GLU X 43 -16.368 -1.896 -2.227 1.00 44.31 C ATOM 727 O GLU X 43 -17.329 -1.869 -1.483 1.00 32.33 O ATOM 728 CB GLU X 43 -16.019 -1.391 -4.648 1.00 2.31 C ATOM 729 CG GLU X 43 -16.894 -0.605 -5.631 1.00 34.32 C ATOM 730 CD GLU X 43 -18.369 -0.938 -5.384 1.00 53.12 C ATOM 731 OE1 GLU X 43 -18.629 -1.855 -4.623 1.00 10.31 O ATOM 732 OE2 GLU X 43 -19.212 -0.271 -5.959 1.00 2.21 O ATOM 0 H GLU X 43 -14.166 -0.037 -3.692 1.00 64.53 H new ATOM 0 HA GLU X 43 -16.935 -0.059 -3.216 1.00 1.42 H new ATOM 0 HB2 GLU X 43 -14.982 -1.382 -4.985 1.00 2.31 H new ATOM 0 HB3 GLU X 43 -16.336 -2.433 -4.620 1.00 2.31 H new ATOM 0 HG2 GLU X 43 -16.726 0.465 -5.508 1.00 34.32 H new ATOM 0 HG3 GLU X 43 -16.621 -0.854 -6.656 1.00 34.32 H new ATOM 739 N ILE X 44 -15.507 -2.883 -2.191 1.00 4.10 N ATOM 740 CA ILE X 44 -15.686 -4.007 -1.225 1.00 0.14 C ATOM 741 C ILE X 44 -15.992 -3.436 0.168 1.00 12.34 C ATOM 742 O ILE X 44 -16.795 -3.971 0.907 1.00 74.11 O ATOM 743 CB ILE X 44 -14.398 -4.836 -1.151 1.00 71.42 C ATOM 744 CG1 ILE X 44 -13.939 -5.244 -2.562 1.00 72.02 C ATOM 745 CG2 ILE X 44 -14.645 -6.089 -0.307 1.00 51.55 C ATOM 746 CD1 ILE X 44 -15.079 -5.920 -3.332 1.00 60.31 C ATOM 0 H ILE X 44 -14.686 -2.957 -2.792 1.00 4.10 H new ATOM 0 HA ILE X 44 -16.509 -4.639 -1.558 1.00 0.14 H new ATOM 0 HB ILE X 44 -13.616 -4.232 -0.691 1.00 71.42 H new ATOM 0 HG12 ILE X 44 -13.598 -4.364 -3.107 1.00 72.02 H new ATOM 0 HG13 ILE X 44 -13.090 -5.923 -2.491 1.00 72.02 H new ATOM 0 HG21 ILE X 44 -13.730 -6.678 -0.254 1.00 51.55 H new ATOM 0 HG22 ILE X 44 -14.947 -5.797 0.699 1.00 51.55 H new ATOM 0 HG23 ILE X 44 -15.435 -6.685 -0.764 1.00 51.55 H new ATOM 0 HD11 ILE X 44 -14.731 -6.199 -4.326 1.00 60.31 H new ATOM 0 HD12 ILE X 44 -15.401 -6.813 -2.796 1.00 60.31 H new ATOM 0 HD13 ILE X 44 -15.917 -5.229 -3.422 1.00 60.31 H new ATOM 758 N LYS X 45 -15.360 -2.344 0.526 1.00 1.40 N ATOM 759 CA LYS X 45 -15.593 -1.748 1.876 1.00 21.12 C ATOM 760 C LYS X 45 -17.071 -1.363 1.997 1.00 34.31 C ATOM 761 O LYS X 45 -17.719 -1.634 2.990 1.00 34.40 O ATOM 762 CB LYS X 45 -14.727 -0.490 2.036 1.00 33.24 C ATOM 763 CG LYS X 45 -13.234 -0.857 2.026 1.00 10.51 C ATOM 764 CD LYS X 45 -12.800 -1.308 3.423 1.00 23.05 C ATOM 765 CE LYS X 45 -11.271 -1.252 3.538 1.00 51.11 C ATOM 766 NZ LYS X 45 -10.806 0.163 3.460 1.00 55.14 N ATOM 0 H LYS X 45 -14.693 -1.841 -0.060 1.00 1.40 H new ATOM 0 HA LYS X 45 -15.330 -2.469 2.650 1.00 21.12 H new ATOM 0 HB2 LYS X 45 -14.940 0.210 1.228 1.00 33.24 H new ATOM 0 HB3 LYS X 45 -14.977 0.014 2.970 1.00 33.24 H new ATOM 0 HG2 LYS X 45 -13.051 -1.653 1.304 1.00 10.51 H new ATOM 0 HG3 LYS X 45 -12.641 0.002 1.711 1.00 10.51 H new ATOM 0 HD2 LYS X 45 -13.254 -0.667 4.179 1.00 23.05 H new ATOM 0 HD3 LYS X 45 -13.151 -2.322 3.613 1.00 23.05 H new ATOM 0 HE2 LYS X 45 -10.952 -1.697 4.481 1.00 51.11 H new ATOM 0 HE3 LYS X 45 -10.816 -1.838 2.739 1.00 51.11 H new ATOM 0 HZ1 LYS X 45 -10.103 0.256 2.699 1.00 55.14 H new ATOM 0 HZ2 LYS X 45 -11.616 0.784 3.261 1.00 55.14 H new ATOM 0 HZ3 LYS X 45 -10.374 0.437 4.366 1.00 55.14 H new ATOM 780 N ASN X 46 -17.608 -0.743 0.977 1.00 43.54 N ATOM 781 CA ASN X 46 -19.045 -0.348 1.000 1.00 12.52 C ATOM 782 C ASN X 46 -19.905 -1.607 1.130 1.00 21.15 C ATOM 783 O ASN X 46 -20.902 -1.624 1.826 1.00 23.45 O ATOM 784 CB ASN X 46 -19.377 0.379 -0.306 1.00 15.12 C ATOM 785 CG ASN X 46 -20.848 0.790 -0.316 1.00 62.51 C ATOM 786 OD1 ASN X 46 -21.346 1.341 0.646 1.00 15.43 O ATOM 787 ND2 ASN X 46 -21.568 0.551 -1.379 1.00 0.30 N ATOM 0 H ASN X 46 -17.107 -0.493 0.124 1.00 43.54 H new ATOM 0 HA ASN X 46 -19.245 0.312 1.844 1.00 12.52 H new ATOM 0 HB2 ASN X 46 -18.744 1.260 -0.412 1.00 15.12 H new ATOM 0 HB3 ASN X 46 -19.166 -0.269 -1.156 1.00 15.12 H new ATOM 0 HD21 ASN X 46 -22.550 0.827 -1.403 1.00 0.30 H new ATOM 0 HD22 ASN X 46 -21.149 0.089 -2.186 1.00 0.30 H new ATOM 794 N GLN X 47 -19.512 -2.671 0.476 1.00 12.45 N ATOM 795 CA GLN X 47 -20.294 -3.936 0.557 1.00 32.30 C ATOM 796 C GLN X 47 -20.002 -4.602 1.913 1.00 53.32 C ATOM 797 O GLN X 47 -20.693 -5.511 2.327 1.00 11.43 O ATOM 798 CB GLN X 47 -19.882 -4.866 -0.597 1.00 4.42 C ATOM 799 CG GLN X 47 -19.070 -6.047 -0.051 1.00 51.23 C ATOM 800 CD GLN X 47 -18.522 -6.889 -1.207 1.00 11.44 C ATOM 801 OE1 GLN X 47 -18.885 -6.683 -2.350 1.00 32.55 O ATOM 802 NE2 GLN X 47 -17.647 -7.820 -0.964 1.00 52.11 N ATOM 0 H GLN X 47 -18.680 -2.715 -0.112 1.00 12.45 H new ATOM 0 HA GLN X 47 -21.361 -3.732 0.474 1.00 32.30 H new ATOM 0 HB2 GLN X 47 -20.769 -5.232 -1.115 1.00 4.42 H new ATOM 0 HB3 GLN X 47 -19.291 -4.314 -1.327 1.00 4.42 H new ATOM 0 HG2 GLN X 47 -18.248 -5.680 0.563 1.00 51.23 H new ATOM 0 HG3 GLN X 47 -19.698 -6.663 0.592 1.00 51.23 H new ATOM 0 HE21 GLN X 47 -17.341 -7.995 -0.007 1.00 52.11 H new ATOM 0 HE22 GLN X 47 -17.267 -8.375 -1.731 1.00 52.11 H new ATOM 811 N LEU X 48 -18.997 -4.136 2.620 1.00 23.41 N ATOM 812 CA LEU X 48 -18.683 -4.724 3.960 1.00 23.21 C ATOM 813 C LEU X 48 -19.379 -3.887 5.042 1.00 23.21 C ATOM 814 O LEU X 48 -19.380 -4.231 6.208 1.00 42.10 O ATOM 815 CB LEU X 48 -17.165 -4.694 4.208 1.00 54.43 C ATOM 816 CG LEU X 48 -16.457 -5.781 3.389 1.00 21.10 C ATOM 817 CD1 LEU X 48 -14.953 -5.499 3.387 1.00 62.21 C ATOM 818 CD2 LEU X 48 -16.706 -7.155 4.018 1.00 63.20 C ATOM 0 H LEU X 48 -18.383 -3.376 2.326 1.00 23.41 H new ATOM 0 HA LEU X 48 -19.032 -5.756 3.991 1.00 23.21 H new ATOM 0 HB2 LEU X 48 -16.768 -3.715 3.941 1.00 54.43 H new ATOM 0 HB3 LEU X 48 -16.962 -4.842 5.269 1.00 54.43 H new ATOM 0 HG LEU X 48 -16.845 -5.776 2.370 1.00 21.10 H new ATOM 0 HD11 LEU X 48 -14.440 -6.266 2.807 1.00 62.21 H new ATOM 0 HD12 LEU X 48 -14.767 -4.522 2.941 1.00 62.21 H new ATOM 0 HD13 LEU X 48 -14.580 -5.508 4.411 1.00 62.21 H new ATOM 0 HD21 LEU X 48 -16.200 -7.921 3.431 1.00 63.20 H new ATOM 0 HD22 LEU X 48 -16.319 -7.164 5.037 1.00 63.20 H new ATOM 0 HD23 LEU X 48 -17.777 -7.359 4.035 1.00 63.20 H new ATOM 830 N GLY X 49 -19.974 -2.787 4.657 1.00 31.51 N ATOM 831 CA GLY X 49 -20.697 -1.928 5.645 1.00 52.23 C ATOM 832 C GLY X 49 -19.746 -1.474 6.758 1.00 24.13 C ATOM 833 O GLY X 49 -20.004 -1.687 7.926 1.00 73.55 O ATOM 0 H GLY X 49 -19.991 -2.445 3.696 1.00 31.51 H new ATOM 0 HA2 GLY X 49 -21.118 -1.058 5.140 1.00 52.23 H new ATOM 0 HA3 GLY X 49 -21.532 -2.482 6.075 1.00 52.23 H new ATOM 837 N ILE X 50 -18.657 -0.837 6.414 1.00 13.34 N ATOM 838 CA ILE X 50 -17.718 -0.357 7.472 1.00 11.33 C ATOM 839 C ILE X 50 -17.011 0.916 7.004 1.00 31.52 C ATOM 840 O ILE X 50 -16.931 1.192 5.827 1.00 24.14 O ATOM 841 CB ILE X 50 -16.662 -1.422 7.778 1.00 63.42 C ATOM 842 CG1 ILE X 50 -16.327 -2.230 6.518 1.00 11.22 C ATOM 843 CG2 ILE X 50 -17.202 -2.362 8.851 1.00 32.03 C ATOM 844 CD1 ILE X 50 -15.720 -1.317 5.448 1.00 5.54 C ATOM 0 H ILE X 50 -18.378 -0.630 5.455 1.00 13.34 H new ATOM 0 HA ILE X 50 -18.297 -0.153 8.373 1.00 11.33 H new ATOM 0 HB ILE X 50 -15.754 -0.930 8.128 1.00 63.42 H new ATOM 0 HG12 ILE X 50 -15.627 -3.028 6.765 1.00 11.22 H new ATOM 0 HG13 ILE X 50 -17.229 -2.705 6.132 1.00 11.22 H new ATOM 0 HG21 ILE X 50 -16.456 -3.124 9.076 1.00 32.03 H new ATOM 0 HG22 ILE X 50 -17.424 -1.794 9.754 1.00 32.03 H new ATOM 0 HG23 ILE X 50 -18.113 -2.840 8.491 1.00 32.03 H new ATOM 0 HD11 ILE X 50 -15.487 -1.903 4.559 1.00 5.54 H new ATOM 0 HD12 ILE X 50 -16.434 -0.535 5.190 1.00 5.54 H new ATOM 0 HD13 ILE X 50 -14.807 -0.863 5.833 1.00 5.54 H new ATOM 856 N PRO X 51 -16.499 1.680 7.929 1.00 60.05 N ATOM 857 CA PRO X 51 -15.776 2.953 7.628 1.00 1.24 C ATOM 858 C PRO X 51 -14.612 2.763 6.647 1.00 42.22 C ATOM 859 O PRO X 51 -13.901 1.776 6.684 1.00 64.40 O ATOM 860 CB PRO X 51 -15.259 3.403 8.997 1.00 10.33 C ATOM 861 CG PRO X 51 -16.206 2.793 9.971 1.00 22.02 C ATOM 862 CD PRO X 51 -16.564 1.425 9.397 1.00 33.50 C ATOM 0 HA PRO X 51 -16.428 3.679 7.142 1.00 1.24 H new ATOM 0 HB2 PRO X 51 -14.238 3.061 9.168 1.00 10.33 H new ATOM 0 HB3 PRO X 51 -15.249 4.490 9.080 1.00 10.33 H new ATOM 0 HG2 PRO X 51 -15.748 2.697 10.955 1.00 22.02 H new ATOM 0 HG3 PRO X 51 -17.095 3.412 10.093 1.00 22.02 H new ATOM 0 HD2 PRO X 51 -15.859 0.654 9.709 1.00 33.50 H new ATOM 0 HD3 PRO X 51 -17.555 1.097 9.711 1.00 33.50 H new ATOM 870 N ILE X 52 -14.415 3.715 5.775 1.00 14.31 N ATOM 871 CA ILE X 52 -13.300 3.629 4.787 1.00 61.11 C ATOM 872 C ILE X 52 -11.968 3.686 5.531 1.00 41.22 C ATOM 873 O ILE X 52 -11.054 2.935 5.253 1.00 73.41 O ATOM 874 CB ILE X 52 -13.392 4.816 3.822 1.00 73.23 C ATOM 875 CG1 ILE X 52 -14.791 4.860 3.196 1.00 14.14 C ATOM 876 CG2 ILE X 52 -12.337 4.659 2.724 1.00 4.13 C ATOM 877 CD1 ILE X 52 -14.982 6.169 2.420 1.00 11.52 C ATOM 0 H ILE X 52 -14.985 4.558 5.704 1.00 14.31 H new ATOM 0 HA ILE X 52 -13.370 2.695 4.229 1.00 61.11 H new ATOM 0 HB ILE X 52 -13.213 5.744 4.365 1.00 73.23 H new ATOM 0 HG12 ILE X 52 -14.925 4.009 2.528 1.00 14.14 H new ATOM 0 HG13 ILE X 52 -15.549 4.776 3.975 1.00 14.14 H new ATOM 0 HG21 ILE X 52 -12.400 5.502 2.036 1.00 4.13 H new ATOM 0 HG22 ILE X 52 -11.345 4.631 3.174 1.00 4.13 H new ATOM 0 HG23 ILE X 52 -12.514 3.732 2.179 1.00 4.13 H new ATOM 0 HD11 ILE X 52 -15.979 6.189 1.980 1.00 11.52 H new ATOM 0 HD12 ILE X 52 -14.868 7.014 3.099 1.00 11.52 H new ATOM 0 HD13 ILE X 52 -14.235 6.235 1.629 1.00 11.52 H new ATOM 889 N ASN X 53 -11.852 4.571 6.484 1.00 60.42 N ATOM 890 CA ASN X 53 -10.571 4.681 7.234 1.00 61.31 C ATOM 891 C ASN X 53 -10.383 3.477 8.141 1.00 11.44 C ATOM 892 O ASN X 53 -11.312 3.004 8.762 1.00 10.11 O ATOM 893 CB ASN X 53 -10.576 5.914 8.101 1.00 61.45 C ATOM 894 CG ASN X 53 -9.136 6.311 8.366 1.00 61.14 C ATOM 895 OD1 ASN X 53 -8.771 7.442 8.139 1.00 45.05 O ATOM 896 ND2 ASN X 53 -8.296 5.436 8.817 1.00 51.40 N ATOM 0 H ASN X 53 -12.585 5.219 6.773 1.00 60.42 H new ATOM 0 HA ASN X 53 -9.763 4.734 6.504 1.00 61.31 H new ATOM 0 HB2 ASN X 53 -11.109 6.725 7.605 1.00 61.45 H new ATOM 0 HB3 ASN X 53 -11.095 5.717 9.039 1.00 61.45 H new ATOM 0 HD21 ASN X 53 -7.324 5.699 8.982 1.00 51.40 H new ATOM 0 HD22 ASN X 53 -8.605 4.483 9.008 1.00 51.40 H new ATOM 903 N ASP X 54 -9.189 2.956 8.194 1.00 24.32 N ATOM 904 CA ASP X 54 -8.919 1.763 9.047 1.00 12.14 C ATOM 905 C ASP X 54 -7.440 1.734 9.454 1.00 12.35 C ATOM 906 O ASP X 54 -6.646 1.005 8.892 1.00 43.33 O ATOM 907 CB ASP X 54 -9.266 0.493 8.269 1.00 21.32 C ATOM 908 CG ASP X 54 -10.610 0.683 7.564 1.00 1.13 C ATOM 909 OD1 ASP X 54 -11.620 0.696 8.248 1.00 32.35 O ATOM 910 OD2 ASP X 54 -10.610 0.811 6.351 1.00 5.43 O ATOM 0 H ASP X 54 -8.382 3.308 7.679 1.00 24.32 H new ATOM 0 HA ASP X 54 -9.532 1.817 9.946 1.00 12.14 H new ATOM 0 HB2 ASP X 54 -8.487 0.276 7.538 1.00 21.32 H new ATOM 0 HB3 ASP X 54 -9.315 -0.360 8.946 1.00 21.32 H new ATOM 915 N PRO X 55 -7.081 2.510 10.443 1.00 21.03 N ATOM 916 CA PRO X 55 -5.672 2.607 10.932 1.00 21.34 C ATOM 917 C PRO X 55 -5.135 1.229 11.328 1.00 33.41 C ATOM 918 O PRO X 55 -4.154 0.752 10.788 1.00 61.14 O ATOM 919 CB PRO X 55 -5.776 3.508 12.164 1.00 62.42 C ATOM 920 CG PRO X 55 -7.216 3.464 12.537 1.00 42.13 C ATOM 921 CD PRO X 55 -7.982 3.384 11.221 1.00 2.25 C ATOM 0 HA PRO X 55 -4.992 2.994 10.173 1.00 21.34 H new ATOM 0 HB2 PRO X 55 -5.145 3.146 12.975 1.00 62.42 H new ATOM 0 HB3 PRO X 55 -5.455 4.525 11.940 1.00 62.42 H new ATOM 0 HG2 PRO X 55 -7.431 2.601 13.168 1.00 42.13 H new ATOM 0 HG3 PRO X 55 -7.501 4.351 13.102 1.00 42.13 H new ATOM 0 HD2 PRO X 55 -8.975 2.952 11.344 1.00 2.25 H new ATOM 0 HD3 PRO X 55 -8.115 4.362 10.758 1.00 2.25 H new ATOM 929 N GLU X 56 -5.780 0.590 12.269 1.00 63.51 N ATOM 930 CA GLU X 56 -5.347 -0.771 12.693 1.00 3.53 C ATOM 931 C GLU X 56 -4.641 -1.449 11.517 1.00 54.40 C ATOM 932 O GLU X 56 -3.472 -1.780 11.584 1.00 23.54 O ATOM 933 CB GLU X 56 -6.578 -1.598 13.100 1.00 51.32 C ATOM 934 CG GLU X 56 -7.273 -0.954 14.307 1.00 74.14 C ATOM 935 CD GLU X 56 -8.197 0.172 13.838 1.00 65.41 C ATOM 936 OE1 GLU X 56 -8.191 0.461 12.654 1.00 33.24 O ATOM 937 OE2 GLU X 56 -8.894 0.725 14.670 1.00 42.24 O ATOM 0 H GLU X 56 -6.593 0.956 12.764 1.00 63.51 H new ATOM 0 HA GLU X 56 -4.668 -0.698 13.543 1.00 3.53 H new ATOM 0 HB2 GLU X 56 -7.273 -1.664 12.263 1.00 51.32 H new ATOM 0 HB3 GLU X 56 -6.276 -2.616 13.345 1.00 51.32 H new ATOM 0 HG2 GLU X 56 -7.847 -1.705 14.850 1.00 74.14 H new ATOM 0 HG3 GLU X 56 -6.528 -0.560 14.999 1.00 74.14 H new ATOM 944 N ARG X 57 -5.346 -1.643 10.435 1.00 42.50 N ATOM 945 CA ARG X 57 -4.739 -2.277 9.232 1.00 23.52 C ATOM 946 C ARG X 57 -3.469 -1.504 8.851 1.00 42.32 C ATOM 947 O ARG X 57 -2.428 -2.079 8.598 1.00 23.12 O ATOM 948 CB ARG X 57 -5.762 -2.227 8.079 1.00 61.41 C ATOM 949 CG ARG X 57 -5.874 -3.617 7.408 1.00 31.52 C ATOM 950 CD ARG X 57 -4.636 -3.908 6.500 1.00 25.44 C ATOM 951 NE ARG X 57 -4.730 -3.103 5.239 1.00 35.13 N ATOM 952 CZ ARG X 57 -3.762 -3.174 4.387 1.00 34.15 C ATOM 953 NH1 ARG X 57 -2.575 -3.475 4.821 1.00 23.23 N ATOM 954 NH2 ARG X 57 -3.918 -2.678 3.170 1.00 33.11 N ATOM 0 H ARG X 57 -6.328 -1.386 10.334 1.00 42.50 H new ATOM 0 HA ARG X 57 -4.476 -3.315 9.435 1.00 23.52 H new ATOM 0 HB2 ARG X 57 -6.736 -1.918 8.459 1.00 61.41 H new ATOM 0 HB3 ARG X 57 -5.457 -1.483 7.343 1.00 61.41 H new ATOM 0 HG2 ARG X 57 -5.955 -4.388 8.174 1.00 31.52 H new ATOM 0 HG3 ARG X 57 -6.785 -3.663 6.811 1.00 31.52 H new ATOM 0 HD2 ARG X 57 -3.717 -3.661 7.032 1.00 25.44 H new ATOM 0 HD3 ARG X 57 -4.590 -4.971 6.261 1.00 25.44 H new ATOM 0 HE ARG X 57 -5.541 -2.512 5.058 1.00 35.13 H new ATOM 0 HH11 ARG X 57 -2.424 -3.649 5.815 1.00 23.23 H new ATOM 0 HH12 ARG X 57 -1.794 -3.537 4.168 1.00 23.23 H new ATOM 0 HH21 ARG X 57 -4.801 -2.241 2.907 1.00 33.11 H new ATOM 0 HH22 ARG X 57 -3.155 -2.733 2.495 1.00 33.11 H new ATOM 968 N GLU X 58 -3.554 -0.198 8.823 1.00 10.34 N ATOM 969 CA GLU X 58 -2.369 0.635 8.462 1.00 43.15 C ATOM 970 C GLU X 58 -1.272 0.421 9.511 1.00 1.52 C ATOM 971 O GLU X 58 -0.097 0.373 9.195 1.00 40.32 O ATOM 972 CB GLU X 58 -2.791 2.113 8.432 1.00 11.53 C ATOM 973 CG GLU X 58 -3.933 2.323 7.433 1.00 4.04 C ATOM 974 CD GLU X 58 -4.489 3.741 7.583 1.00 53.24 C ATOM 975 OE1 GLU X 58 -3.888 4.520 8.305 1.00 11.33 O ATOM 976 OE2 GLU X 58 -5.505 4.026 6.974 1.00 11.11 O ATOM 0 H GLU X 58 -4.400 0.330 9.037 1.00 10.34 H new ATOM 0 HA GLU X 58 -1.988 0.350 7.482 1.00 43.15 H new ATOM 0 HB2 GLU X 58 -3.107 2.428 9.427 1.00 11.53 H new ATOM 0 HB3 GLU X 58 -1.940 2.735 8.157 1.00 11.53 H new ATOM 0 HG2 GLU X 58 -3.573 2.168 6.416 1.00 4.04 H new ATOM 0 HG3 GLU X 58 -4.722 1.591 7.607 1.00 4.04 H new ATOM 983 N LYS X 59 -1.649 0.278 10.756 1.00 31.41 N ATOM 984 CA LYS X 59 -0.636 0.041 11.828 1.00 23.11 C ATOM 985 C LYS X 59 0.118 -1.260 11.522 1.00 32.34 C ATOM 986 O LYS X 59 1.328 -1.326 11.615 1.00 74.50 O ATOM 987 CB LYS X 59 -1.342 -0.094 13.185 1.00 70.02 C ATOM 988 CG LYS X 59 -1.316 1.244 13.937 1.00 55.05 C ATOM 989 CD LYS X 59 -2.110 2.295 13.154 1.00 62.22 C ATOM 990 CE LYS X 59 -2.000 3.653 13.855 1.00 50.01 C ATOM 991 NZ LYS X 59 -2.884 4.643 13.170 1.00 3.40 N ATOM 0 H LYS X 59 -2.617 0.315 11.077 1.00 31.41 H new ATOM 0 HA LYS X 59 0.061 0.878 11.864 1.00 23.11 H new ATOM 0 HB2 LYS X 59 -2.373 -0.414 13.035 1.00 70.02 H new ATOM 0 HB3 LYS X 59 -0.852 -0.864 13.782 1.00 70.02 H new ATOM 0 HG2 LYS X 59 -1.742 1.120 14.933 1.00 55.05 H new ATOM 0 HG3 LYS X 59 -0.287 1.577 14.070 1.00 55.05 H new ATOM 0 HD2 LYS X 59 -1.729 2.369 12.136 1.00 62.22 H new ATOM 0 HD3 LYS X 59 -3.156 1.996 13.082 1.00 62.22 H new ATOM 0 HE2 LYS X 59 -2.287 3.557 14.902 1.00 50.01 H new ATOM 0 HE3 LYS X 59 -0.967 4.000 13.838 1.00 50.01 H new ATOM 0 HZ1 LYS X 59 -2.428 5.578 13.175 1.00 3.40 H new ATOM 0 HZ2 LYS X 59 -3.046 4.342 12.188 1.00 3.40 H new ATOM 0 HZ3 LYS X 59 -3.794 4.699 13.669 1.00 3.40 H new ATOM 1005 N TYR X 60 -0.596 -2.293 11.155 1.00 42.01 N ATOM 1006 CA TYR X 60 0.055 -3.600 10.826 1.00 51.15 C ATOM 1007 C TYR X 60 1.112 -3.379 9.738 1.00 2.02 C ATOM 1008 O TYR X 60 2.172 -3.973 9.759 1.00 64.33 O ATOM 1009 CB TYR X 60 -1.026 -4.572 10.331 1.00 13.51 C ATOM 1010 CG TYR X 60 -0.410 -5.840 9.774 1.00 65.44 C ATOM 1011 CD1 TYR X 60 -0.045 -6.880 10.639 1.00 14.42 C ATOM 1012 CD2 TYR X 60 -0.178 -5.964 8.397 1.00 34.21 C ATOM 1013 CE1 TYR X 60 0.550 -8.041 10.129 1.00 20.13 C ATOM 1014 CE2 TYR X 60 0.414 -7.128 7.887 1.00 73.12 C ATOM 1015 CZ TYR X 60 0.779 -8.166 8.753 1.00 21.11 C ATOM 1016 OH TYR X 60 1.368 -9.309 8.251 1.00 20.33 O ATOM 0 H TYR X 60 -1.612 -2.288 11.068 1.00 42.01 H new ATOM 0 HA TYR X 60 0.542 -4.017 11.707 1.00 51.15 H new ATOM 0 HB2 TYR X 60 -1.698 -4.821 11.152 1.00 13.51 H new ATOM 0 HB3 TYR X 60 -1.628 -4.089 9.562 1.00 13.51 H new ATOM 0 HD1 TYR X 60 -0.223 -6.786 11.700 1.00 14.42 H new ATOM 0 HD2 TYR X 60 -0.455 -5.162 7.729 1.00 34.21 H new ATOM 0 HE1 TYR X 60 0.832 -8.841 10.798 1.00 20.13 H new ATOM 0 HE2 TYR X 60 0.589 -7.224 6.826 1.00 73.12 H new ATOM 0 HH TYR X 60 1.453 -9.233 7.278 1.00 20.33 H new ATOM 1026 N ILE X 61 0.833 -2.522 8.793 1.00 15.44 N ATOM 1027 CA ILE X 61 1.813 -2.263 7.698 1.00 42.41 C ATOM 1028 C ILE X 61 3.111 -1.714 8.304 1.00 21.11 C ATOM 1029 O ILE X 61 4.199 -2.107 7.932 1.00 23.35 O ATOM 1030 CB ILE X 61 1.238 -1.220 6.736 1.00 73.44 C ATOM 1031 CG1 ILE X 61 0.043 -1.806 5.966 1.00 2.41 C ATOM 1032 CG2 ILE X 61 2.327 -0.779 5.755 1.00 0.51 C ATOM 1033 CD1 ILE X 61 0.472 -3.028 5.148 1.00 15.23 C ATOM 0 H ILE X 61 -0.034 -1.988 8.732 1.00 15.44 H new ATOM 0 HA ILE X 61 2.013 -3.191 7.162 1.00 42.41 H new ATOM 0 HB ILE X 61 0.893 -0.358 7.307 1.00 73.44 H new ATOM 0 HG12 ILE X 61 -0.743 -2.089 6.666 1.00 2.41 H new ATOM 0 HG13 ILE X 61 -0.376 -1.048 5.304 1.00 2.41 H new ATOM 0 HG21 ILE X 61 1.920 -0.036 5.069 1.00 0.51 H new ATOM 0 HG22 ILE X 61 3.160 -0.344 6.307 1.00 0.51 H new ATOM 0 HG23 ILE X 61 2.678 -1.642 5.189 1.00 0.51 H new ATOM 0 HD11 ILE X 61 -0.389 -3.427 4.611 1.00 15.23 H new ATOM 0 HD12 ILE X 61 1.242 -2.736 4.434 1.00 15.23 H new ATOM 0 HD13 ILE X 61 0.869 -3.792 5.816 1.00 15.23 H new ATOM 1045 N TYR X 62 2.998 -0.802 9.237 1.00 12.33 N ATOM 1046 CA TYR X 62 4.215 -0.205 9.867 1.00 32.53 C ATOM 1047 C TYR X 62 5.094 -1.326 10.432 1.00 31.32 C ATOM 1048 O TYR X 62 6.291 -1.357 10.226 1.00 63.12 O ATOM 1049 CB TYR X 62 3.793 0.719 11.018 1.00 13.11 C ATOM 1050 CG TYR X 62 2.873 1.817 10.523 1.00 61.33 C ATOM 1051 CD1 TYR X 62 2.878 2.196 9.174 1.00 75.34 C ATOM 1052 CD2 TYR X 62 2.001 2.447 11.421 1.00 44.50 C ATOM 1053 CE1 TYR X 62 2.008 3.201 8.725 1.00 22.40 C ATOM 1054 CE2 TYR X 62 1.130 3.448 10.971 1.00 2.24 C ATOM 1055 CZ TYR X 62 1.136 3.828 9.625 1.00 0.03 C ATOM 1056 OH TYR X 62 0.276 4.814 9.182 1.00 34.21 O ATOM 0 H TYR X 62 2.111 -0.444 9.591 1.00 12.33 H new ATOM 0 HA TYR X 62 4.768 0.363 9.119 1.00 32.53 H new ATOM 0 HB2 TYR X 62 3.289 0.137 11.790 1.00 13.11 H new ATOM 0 HB3 TYR X 62 4.677 1.160 11.478 1.00 13.11 H new ATOM 0 HD1 TYR X 62 3.551 1.715 8.480 1.00 75.34 H new ATOM 0 HD2 TYR X 62 2.000 2.160 12.462 1.00 44.50 H new ATOM 0 HE1 TYR X 62 2.010 3.492 7.685 1.00 22.40 H new ATOM 0 HE2 TYR X 62 0.454 3.926 11.664 1.00 2.24 H new ATOM 0 HH TYR X 62 -0.260 5.143 9.934 1.00 34.21 H new ATOM 1066 N ASP X 63 4.501 -2.242 11.151 1.00 1.25 N ATOM 1067 CA ASP X 63 5.279 -3.377 11.733 1.00 21.15 C ATOM 1068 C ASP X 63 5.727 -4.332 10.614 1.00 72.11 C ATOM 1069 O ASP X 63 6.791 -4.916 10.677 1.00 13.14 O ATOM 1070 CB ASP X 63 4.392 -4.139 12.720 1.00 3.44 C ATOM 1071 CG ASP X 63 5.244 -5.074 13.582 1.00 15.21 C ATOM 1072 OD1 ASP X 63 6.096 -4.580 14.299 1.00 33.55 O ATOM 1073 OD2 ASP X 63 5.030 -6.273 13.506 1.00 24.11 O ATOM 0 H ASP X 63 3.503 -2.253 11.362 1.00 1.25 H new ATOM 0 HA ASP X 63 6.158 -2.987 12.246 1.00 21.15 H new ATOM 0 HB2 ASP X 63 3.855 -3.435 13.356 1.00 3.44 H new ATOM 0 HB3 ASP X 63 3.642 -4.715 12.177 1.00 3.44 H new ATOM 1078 N ARG X 64 4.916 -4.502 9.597 1.00 42.41 N ATOM 1079 CA ARG X 64 5.279 -5.433 8.477 1.00 71.21 C ATOM 1080 C ARG X 64 6.427 -4.826 7.659 1.00 62.30 C ATOM 1081 O ARG X 64 7.377 -5.500 7.312 1.00 72.05 O ATOM 1082 CB ARG X 64 4.058 -5.633 7.564 1.00 20.55 C ATOM 1083 CG ARG X 64 4.373 -6.638 6.439 1.00 10.10 C ATOM 1084 CD ARG X 64 4.882 -5.921 5.182 1.00 10.04 C ATOM 1085 NE ARG X 64 3.854 -5.878 4.082 1.00 70.41 N ATOM 1086 CZ ARG X 64 3.507 -7.042 3.587 1.00 4.21 C ATOM 1087 NH1 ARG X 64 3.999 -8.093 4.167 1.00 44.51 N ATOM 1088 NH2 ARG X 64 2.645 -7.159 2.619 1.00 22.00 N ATOM 0 H ARG X 64 4.015 -4.035 9.493 1.00 42.41 H new ATOM 0 HA ARG X 64 5.591 -6.393 8.889 1.00 71.21 H new ATOM 0 HB2 ARG X 64 3.214 -5.992 8.152 1.00 20.55 H new ATOM 0 HB3 ARG X 64 3.762 -4.677 7.131 1.00 20.55 H new ATOM 0 HG2 ARG X 64 5.123 -7.350 6.783 1.00 10.10 H new ATOM 0 HG3 ARG X 64 3.477 -7.210 6.197 1.00 10.10 H new ATOM 0 HD2 ARG X 64 5.173 -4.903 5.442 1.00 10.04 H new ATOM 0 HD3 ARG X 64 5.777 -6.426 4.818 1.00 10.04 H new ATOM 0 HE ARG X 64 3.454 -5.002 3.745 1.00 70.41 H new ATOM 0 HH11 ARG X 64 4.623 -7.989 4.967 1.00 44.51 H new ATOM 0 HH12 ARG X 64 3.762 -9.023 3.823 1.00 44.51 H new ATOM 0 HH21 ARG X 64 2.213 -6.327 2.218 1.00 22.00 H new ATOM 0 HH22 ARG X 64 2.402 -8.083 2.262 1.00 22.00 H new ATOM 1102 N ILE X 65 6.341 -3.559 7.347 1.00 3.24 N ATOM 1103 CA ILE X 65 7.423 -2.903 6.552 1.00 11.14 C ATOM 1104 C ILE X 65 8.747 -2.973 7.329 1.00 50.21 C ATOM 1105 O ILE X 65 9.790 -3.239 6.765 1.00 52.03 O ATOM 1106 CB ILE X 65 7.067 -1.431 6.310 1.00 24.12 C ATOM 1107 CG1 ILE X 65 5.847 -1.316 5.383 1.00 43.33 C ATOM 1108 CG2 ILE X 65 8.265 -0.712 5.682 1.00 0.41 C ATOM 1109 CD1 ILE X 65 6.112 -2.017 4.047 1.00 75.14 C ATOM 0 H ILE X 65 5.567 -2.949 7.609 1.00 3.24 H new ATOM 0 HA ILE X 65 7.526 -3.419 5.597 1.00 11.14 H new ATOM 0 HB ILE X 65 6.821 -0.967 7.265 1.00 24.12 H new ATOM 0 HG12 ILE X 65 4.975 -1.759 5.865 1.00 43.33 H new ATOM 0 HG13 ILE X 65 5.615 -0.265 5.208 1.00 43.33 H new ATOM 0 HG21 ILE X 65 8.012 0.334 5.510 1.00 0.41 H new ATOM 0 HG22 ILE X 65 9.120 -0.773 6.356 1.00 0.41 H new ATOM 0 HG23 ILE X 65 8.517 -1.185 4.733 1.00 0.41 H new ATOM 0 HD11 ILE X 65 5.235 -1.923 3.407 1.00 75.14 H new ATOM 0 HD12 ILE X 65 6.970 -1.555 3.558 1.00 75.14 H new ATOM 0 HD13 ILE X 65 6.320 -3.072 4.225 1.00 75.14 H new ATOM 1121 N ARG X 66 8.713 -2.724 8.617 1.00 53.23 N ATOM 1122 CA ARG X 66 9.973 -2.785 9.433 1.00 11.54 C ATOM 1123 C ARG X 66 10.630 -4.157 9.257 1.00 3.41 C ATOM 1124 O ARG X 66 11.839 -4.273 9.211 1.00 51.11 O ATOM 1125 CB ARG X 66 9.656 -2.580 10.928 1.00 73.53 C ATOM 1126 CG ARG X 66 9.318 -1.087 11.203 1.00 51.42 C ATOM 1127 CD ARG X 66 8.924 -0.896 12.679 1.00 62.11 C ATOM 1128 NE ARG X 66 8.590 0.543 13.015 1.00 53.32 N ATOM 1129 CZ ARG X 66 7.979 0.746 14.146 1.00 21.12 C ATOM 1130 NH1 ARG X 66 8.207 -0.105 15.116 1.00 55.34 N ATOM 1131 NH2 ARG X 66 7.390 1.893 14.404 1.00 13.23 N ATOM 0 H ARG X 66 7.871 -2.482 9.139 1.00 53.23 H new ATOM 0 HA ARG X 66 10.644 -1.997 9.093 1.00 11.54 H new ATOM 0 HB2 ARG X 66 8.816 -3.211 11.219 1.00 73.53 H new ATOM 0 HB3 ARG X 66 10.509 -2.885 11.534 1.00 73.53 H new ATOM 0 HG2 ARG X 66 10.178 -0.462 10.964 1.00 51.42 H new ATOM 0 HG3 ARG X 66 8.501 -0.766 10.556 1.00 51.42 H new ATOM 0 HD2 ARG X 66 8.064 -1.526 12.905 1.00 62.11 H new ATOM 0 HD3 ARG X 66 9.742 -1.233 13.315 1.00 62.11 H new ATOM 0 HE ARG X 66 8.831 1.311 12.389 1.00 53.32 H new ATOM 0 HH11 ARG X 66 8.843 -0.889 14.968 1.00 55.34 H new ATOM 0 HH12 ARG X 66 7.749 0.016 16.019 1.00 55.34 H new ATOM 0 HH21 ARG X 66 7.407 2.642 13.712 1.00 13.23 H new ATOM 0 HH22 ARG X 66 6.916 2.034 15.296 1.00 13.23 H new ATOM 1145 N LYS X 67 9.843 -5.200 9.173 1.00 23.21 N ATOM 1146 CA LYS X 67 10.418 -6.570 9.001 1.00 24.41 C ATOM 1147 C LYS X 67 11.173 -6.641 7.670 1.00 70.53 C ATOM 1148 O LYS X 67 12.320 -7.044 7.619 1.00 45.21 O ATOM 1149 CB LYS X 67 9.278 -7.604 9.022 1.00 33.51 C ATOM 1150 CG LYS X 67 9.845 -9.032 8.937 1.00 70.43 C ATOM 1151 CD LYS X 67 8.694 -10.052 8.997 1.00 74.23 C ATOM 1152 CE LYS X 67 9.249 -11.483 8.950 1.00 53.22 C ATOM 1153 NZ LYS X 67 9.807 -11.766 7.592 1.00 44.15 N ATOM 0 H LYS X 67 8.825 -5.162 9.216 1.00 23.21 H new ATOM 0 HA LYS X 67 11.112 -6.787 9.813 1.00 24.41 H new ATOM 0 HB2 LYS X 67 8.694 -7.492 9.936 1.00 33.51 H new ATOM 0 HB3 LYS X 67 8.601 -7.425 8.187 1.00 33.51 H new ATOM 0 HG2 LYS X 67 10.406 -9.156 8.011 1.00 70.43 H new ATOM 0 HG3 LYS X 67 10.541 -9.206 9.757 1.00 70.43 H new ATOM 0 HD2 LYS X 67 8.118 -9.908 9.911 1.00 74.23 H new ATOM 0 HD3 LYS X 67 8.012 -9.891 8.162 1.00 74.23 H new ATOM 0 HE2 LYS X 67 10.025 -11.607 9.705 1.00 53.22 H new ATOM 0 HE3 LYS X 67 8.459 -12.197 9.185 1.00 53.22 H new ATOM 0 HZ1 LYS X 67 10.010 -12.782 7.505 1.00 44.15 H new ATOM 0 HZ2 LYS X 67 9.115 -11.488 6.867 1.00 44.15 H new ATOM 0 HZ3 LYS X 67 10.685 -11.225 7.458 1.00 44.15 H new ATOM 1167 N LEU X 68 10.545 -6.243 6.595 1.00 31.43 N ATOM 1168 CA LEU X 68 11.234 -6.264 5.273 1.00 72.03 C ATOM 1169 C LEU X 68 12.319 -5.179 5.255 1.00 42.20 C ATOM 1170 O LEU X 68 13.371 -5.344 4.666 1.00 42.12 O ATOM 1171 CB LEU X 68 10.226 -5.962 4.155 1.00 20.21 C ATOM 1172 CG LEU X 68 9.178 -7.077 4.035 1.00 64.23 C ATOM 1173 CD1 LEU X 68 8.134 -6.659 2.996 1.00 74.35 C ATOM 1174 CD2 LEU X 68 9.843 -8.380 3.578 1.00 40.12 C ATOM 0 H LEU X 68 9.583 -5.904 6.576 1.00 31.43 H new ATOM 0 HA LEU X 68 11.675 -7.248 5.116 1.00 72.03 H new ATOM 0 HB2 LEU X 68 9.729 -5.013 4.356 1.00 20.21 H new ATOM 0 HB3 LEU X 68 10.753 -5.851 3.207 1.00 20.21 H new ATOM 0 HG LEU X 68 8.708 -7.238 5.005 1.00 64.23 H new ATOM 0 HD11 LEU X 68 7.382 -7.442 2.900 1.00 74.35 H new ATOM 0 HD12 LEU X 68 7.655 -5.733 3.314 1.00 74.35 H new ATOM 0 HD13 LEU X 68 8.621 -6.503 2.033 1.00 74.35 H new ATOM 0 HD21 LEU X 68 9.090 -9.164 3.496 1.00 40.12 H new ATOM 0 HD22 LEU X 68 10.314 -8.227 2.607 1.00 40.12 H new ATOM 0 HD23 LEU X 68 10.599 -8.677 4.305 1.00 40.12 H new ATOM 1186 N CYS X 69 12.063 -4.067 5.902 1.00 1.33 N ATOM 1187 CA CYS X 69 13.066 -2.960 5.936 1.00 64.55 C ATOM 1188 C CYS X 69 14.356 -3.460 6.593 1.00 14.44 C ATOM 1189 O CYS X 69 15.437 -3.297 6.064 1.00 34.45 O ATOM 1190 CB CYS X 69 12.501 -1.784 6.741 1.00 2.02 C ATOM 1191 SG CYS X 69 13.407 -0.273 6.326 1.00 62.31 S ATOM 0 H CYS X 69 11.198 -3.880 6.410 1.00 1.33 H new ATOM 0 HA CYS X 69 13.282 -2.632 4.919 1.00 64.55 H new ATOM 0 HB2 CYS X 69 11.441 -1.656 6.522 1.00 2.02 H new ATOM 0 HB3 CYS X 69 12.584 -1.988 7.809 1.00 2.02 H new ATOM 0 HG CYS X 69 14.538 -0.256 6.966 1.00 62.31 H new ATOM 1197 N LYS X 70 14.246 -4.077 7.739 1.00 70.53 N ATOM 1198 CA LYS X 70 15.460 -4.602 8.431 1.00 4.10 C ATOM 1199 C LYS X 70 16.087 -5.709 7.571 1.00 62.34 C ATOM 1200 O LYS X 70 17.285 -5.902 7.568 1.00 74.54 O ATOM 1201 CB LYS X 70 15.066 -5.184 9.794 1.00 65.10 C ATOM 1202 CG LYS X 70 15.238 -4.132 10.894 1.00 11.24 C ATOM 1203 CD LYS X 70 14.294 -2.949 10.644 1.00 42.51 C ATOM 1204 CE LYS X 70 14.551 -1.846 11.678 1.00 24.42 C ATOM 1205 NZ LYS X 70 14.242 -2.355 13.048 1.00 61.00 N ATOM 0 H LYS X 70 13.366 -4.241 8.227 1.00 70.53 H new ATOM 0 HA LYS X 70 16.175 -3.793 8.577 1.00 4.10 H new ATOM 0 HB2 LYS X 70 14.031 -5.524 9.766 1.00 65.10 H new ATOM 0 HB3 LYS X 70 15.682 -6.056 10.016 1.00 65.10 H new ATOM 0 HG2 LYS X 70 15.029 -4.575 11.868 1.00 11.24 H new ATOM 0 HG3 LYS X 70 16.271 -3.785 10.917 1.00 11.24 H new ATOM 0 HD2 LYS X 70 14.446 -2.558 9.638 1.00 42.51 H new ATOM 0 HD3 LYS X 70 13.258 -3.281 10.704 1.00 42.51 H new ATOM 0 HE2 LYS X 70 15.590 -1.522 11.626 1.00 24.42 H new ATOM 0 HE3 LYS X 70 13.934 -0.975 11.456 1.00 24.42 H new ATOM 0 HZ1 LYS X 70 14.169 -1.554 13.708 1.00 61.00 H new ATOM 0 HZ2 LYS X 70 13.340 -2.872 13.031 1.00 61.00 H new ATOM 0 HZ3 LYS X 70 15.001 -2.993 13.361 1.00 61.00 H new ATOM 1219 N GLU X 71 15.277 -6.444 6.849 1.00 24.24 N ATOM 1220 CA GLU X 71 15.811 -7.575 6.026 1.00 14.11 C ATOM 1221 C GLU X 71 16.881 -7.057 5.063 1.00 54.03 C ATOM 1222 O GLU X 71 18.046 -7.388 5.176 1.00 1.11 O ATOM 1223 CB GLU X 71 14.670 -8.201 5.214 1.00 61.12 C ATOM 1224 CG GLU X 71 13.922 -9.231 6.072 1.00 64.43 C ATOM 1225 CD GLU X 71 14.812 -10.458 6.294 1.00 22.04 C ATOM 1226 OE1 GLU X 71 15.843 -10.543 5.647 1.00 50.20 O ATOM 1227 OE2 GLU X 71 14.451 -11.290 7.108 1.00 55.33 O ATOM 0 H GLU X 71 14.267 -6.310 6.794 1.00 24.24 H new ATOM 0 HA GLU X 71 16.248 -8.322 6.689 1.00 14.11 H new ATOM 0 HB2 GLU X 71 13.982 -7.425 4.880 1.00 61.12 H new ATOM 0 HB3 GLU X 71 15.069 -8.680 4.320 1.00 61.12 H new ATOM 0 HG2 GLU X 71 13.647 -8.790 7.030 1.00 64.43 H new ATOM 0 HG3 GLU X 71 12.995 -9.526 5.579 1.00 64.43 H new ATOM 1234 N HIS X 72 16.490 -6.255 4.107 1.00 34.31 N ATOM 1235 CA HIS X 72 17.474 -5.751 3.105 1.00 40.10 C ATOM 1236 C HIS X 72 18.196 -4.535 3.674 1.00 21.44 C ATOM 1237 O HIS X 72 18.918 -3.844 2.983 1.00 41.44 O ATOM 1238 CB HIS X 72 16.744 -5.366 1.809 1.00 73.40 C ATOM 1239 CG HIS X 72 15.513 -4.567 2.135 1.00 41.11 C ATOM 1240 ND1 HIS X 72 15.558 -3.201 2.385 1.00 23.33 N ATOM 1241 CD2 HIS X 72 14.192 -4.927 2.255 1.00 42.33 C ATOM 1242 CE1 HIS X 72 14.300 -2.795 2.644 1.00 1.21 C ATOM 1243 NE2 HIS X 72 13.434 -3.808 2.578 1.00 35.23 N ATOM 0 H HIS X 72 15.533 -5.928 3.977 1.00 34.31 H new ATOM 0 HA HIS X 72 18.201 -6.532 2.884 1.00 40.10 H new ATOM 0 HB2 HIS X 72 17.406 -4.785 1.167 1.00 73.40 H new ATOM 0 HB3 HIS X 72 16.470 -6.264 1.255 1.00 73.40 H new ATOM 0 HD2 HIS X 72 13.803 -5.925 2.119 1.00 42.33 H new ATOM 0 HE1 HIS X 72 14.026 -1.776 2.876 1.00 1.21 H new ATOM 0 HE2 HIS X 72 12.426 -3.769 2.732 1.00 35.23 H new ATOM 1252 N ASN X 73 18.025 -4.276 4.934 1.00 62.51 N ATOM 1253 CA ASN X 73 18.735 -3.126 5.563 1.00 40.03 C ATOM 1254 C ASN X 73 18.943 -2.005 4.554 1.00 50.53 C ATOM 1255 O ASN X 73 20.014 -1.438 4.467 1.00 20.41 O ATOM 1256 CB ASN X 73 20.099 -3.579 6.070 1.00 32.24 C ATOM 1257 CG ASN X 73 20.850 -4.233 4.923 1.00 52.32 C ATOM 1258 OD1 ASN X 73 20.540 -5.333 4.516 1.00 43.45 O ATOM 1259 ND2 ASN X 73 21.869 -3.607 4.421 1.00 2.51 N ATOM 0 H ASN X 73 17.423 -4.810 5.561 1.00 62.51 H new ATOM 0 HA ASN X 73 18.125 -2.761 6.389 1.00 40.03 H new ATOM 0 HB2 ASN X 73 20.662 -2.728 6.454 1.00 32.24 H new ATOM 0 HB3 ASN X 73 19.982 -4.282 6.895 1.00 32.24 H new ATOM 0 HD21 ASN X 73 22.417 -4.039 3.677 1.00 2.51 H new ATOM 0 HD22 ASN X 73 22.122 -2.682 4.770 1.00 2.51 H new ATOM 1266 N VAL X 74 17.937 -1.675 3.794 1.00 63.43 N ATOM 1267 CA VAL X 74 18.071 -0.561 2.807 1.00 33.33 C ATOM 1268 C VAL X 74 17.925 0.776 3.540 1.00 70.51 C ATOM 1269 O VAL X 74 18.677 1.702 3.310 1.00 55.11 O ATOM 1270 CB VAL X 74 16.972 -0.693 1.749 1.00 14.40 C ATOM 1271 CG1 VAL X 74 16.838 0.618 0.969 1.00 64.23 C ATOM 1272 CG2 VAL X 74 17.332 -1.822 0.782 1.00 4.12 C ATOM 0 H VAL X 74 17.024 -2.129 3.812 1.00 63.43 H new ATOM 0 HA VAL X 74 19.047 -0.606 2.323 1.00 33.33 H new ATOM 0 HB VAL X 74 16.026 -0.916 2.242 1.00 14.40 H new ATOM 0 HG11 VAL X 74 16.054 0.516 0.218 1.00 64.23 H new ATOM 0 HG12 VAL X 74 16.581 1.425 1.655 1.00 64.23 H new ATOM 0 HG13 VAL X 74 17.784 0.847 0.478 1.00 64.23 H new ATOM 0 HG21 VAL X 74 16.551 -1.918 0.028 1.00 4.12 H new ATOM 0 HG22 VAL X 74 18.281 -1.596 0.295 1.00 4.12 H new ATOM 0 HG23 VAL X 74 17.421 -2.758 1.333 1.00 4.12 H new ATOM 1282 N ASP X 75 16.973 0.878 4.430 1.00 3.11 N ATOM 1283 CA ASP X 75 16.792 2.156 5.180 1.00 25.14 C ATOM 1284 C ASP X 75 15.979 1.901 6.452 1.00 1.24 C ATOM 1285 O ASP X 75 15.852 0.781 6.906 1.00 61.21 O ATOM 1286 CB ASP X 75 16.062 3.181 4.305 1.00 42.25 C ATOM 1287 CG ASP X 75 16.974 3.645 3.170 1.00 44.35 C ATOM 1288 OD1 ASP X 75 18.111 3.983 3.449 1.00 0.10 O ATOM 1289 OD2 ASP X 75 16.515 3.662 2.041 1.00 62.30 O ATOM 0 H ASP X 75 16.316 0.136 4.669 1.00 3.11 H new ATOM 0 HA ASP X 75 17.773 2.548 5.448 1.00 25.14 H new ATOM 0 HB2 ASP X 75 15.154 2.740 3.895 1.00 42.25 H new ATOM 0 HB3 ASP X 75 15.757 4.035 4.909 1.00 42.25 H new ATOM 1294 N GLU X 76 15.436 2.940 7.033 1.00 41.45 N ATOM 1295 CA GLU X 76 14.618 2.773 8.276 1.00 23.33 C ATOM 1296 C GLU X 76 13.412 3.715 8.234 1.00 42.04 C ATOM 1297 O GLU X 76 12.385 3.403 7.664 1.00 14.43 O ATOM 1298 CB GLU X 76 15.474 3.117 9.499 1.00 54.01 C ATOM 1299 CG GLU X 76 16.461 1.976 9.790 1.00 62.45 C ATOM 1300 CD GLU X 76 17.355 2.350 10.975 1.00 52.23 C ATOM 1301 OE1 GLU X 76 17.188 3.440 11.496 1.00 25.52 O ATOM 1302 OE2 GLU X 76 18.192 1.543 11.338 1.00 11.55 O ATOM 0 H GLU X 76 15.523 3.900 6.700 1.00 41.45 H new ATOM 0 HA GLU X 76 14.274 1.741 8.340 1.00 23.33 H new ATOM 0 HB2 GLU X 76 16.020 4.044 9.322 1.00 54.01 H new ATOM 0 HB3 GLU X 76 14.834 3.284 10.365 1.00 54.01 H new ATOM 0 HG2 GLU X 76 15.915 1.059 10.010 1.00 62.45 H new ATOM 0 HG3 GLU X 76 17.073 1.779 8.910 1.00 62.45 H new ATOM 1309 N ASN X 77 13.524 4.858 8.858 1.00 10.10 N ATOM 1310 CA ASN X 77 12.376 5.815 8.891 1.00 15.13 C ATOM 1311 C ASN X 77 12.035 6.305 7.477 1.00 23.04 C ATOM 1312 O ASN X 77 10.881 6.451 7.127 1.00 63.24 O ATOM 1313 CB ASN X 77 12.730 7.019 9.773 1.00 22.42 C ATOM 1314 CG ASN X 77 13.835 7.844 9.111 1.00 60.52 C ATOM 1315 OD1 ASN X 77 13.742 9.052 9.031 1.00 40.32 O ATOM 1316 ND2 ASN X 77 14.882 7.235 8.622 1.00 51.52 N ATOM 0 H ASN X 77 14.362 5.172 9.347 1.00 10.10 H new ATOM 0 HA ASN X 77 11.509 5.297 9.302 1.00 15.13 H new ATOM 0 HB2 ASN X 77 11.847 7.638 9.930 1.00 22.42 H new ATOM 0 HB3 ASN X 77 13.058 6.677 10.755 1.00 22.42 H new ATOM 0 HD21 ASN X 77 15.622 7.774 8.173 1.00 51.52 H new ATOM 0 HD22 ASN X 77 14.960 6.220 8.690 1.00 51.52 H new ATOM 1323 N ILE X 78 13.023 6.576 6.669 1.00 31.54 N ATOM 1324 CA ILE X 78 12.746 7.075 5.291 1.00 21.51 C ATOM 1325 C ILE X 78 11.735 6.154 4.600 1.00 53.20 C ATOM 1326 O ILE X 78 10.819 6.605 3.939 1.00 50.15 O ATOM 1327 CB ILE X 78 14.046 7.097 4.480 1.00 11.31 C ATOM 1328 CG1 ILE X 78 15.135 7.829 5.274 1.00 65.21 C ATOM 1329 CG2 ILE X 78 13.802 7.822 3.155 1.00 45.30 C ATOM 1330 CD1 ILE X 78 16.265 6.857 5.630 1.00 54.44 C ATOM 0 H ILE X 78 14.011 6.474 6.903 1.00 31.54 H new ATOM 0 HA ILE X 78 12.336 8.083 5.353 1.00 21.51 H new ATOM 0 HB ILE X 78 14.371 6.075 4.283 1.00 11.31 H new ATOM 0 HG12 ILE X 78 15.529 8.659 4.687 1.00 65.21 H new ATOM 0 HG13 ILE X 78 14.710 8.255 6.183 1.00 65.21 H new ATOM 0 HG21 ILE X 78 14.725 7.840 2.575 1.00 45.30 H new ATOM 0 HG22 ILE X 78 13.029 7.300 2.591 1.00 45.30 H new ATOM 0 HG23 ILE X 78 13.478 8.844 3.354 1.00 45.30 H new ATOM 0 HD11 ILE X 78 17.034 7.384 6.194 1.00 54.44 H new ATOM 0 HD12 ILE X 78 15.867 6.042 6.234 1.00 54.44 H new ATOM 0 HD13 ILE X 78 16.698 6.452 4.715 1.00 54.44 H new ATOM 1342 N GLY X 79 11.901 4.870 4.744 1.00 42.22 N ATOM 1343 CA GLY X 79 10.969 3.914 4.081 1.00 32.23 C ATOM 1344 C GLY X 79 9.583 3.996 4.727 1.00 22.41 C ATOM 1345 O GLY X 79 8.580 4.121 4.051 1.00 0.02 O ATOM 0 H GLY X 79 12.644 4.439 5.294 1.00 42.22 H new ATOM 0 HA2 GLY X 79 10.897 4.143 3.018 1.00 32.23 H new ATOM 0 HA3 GLY X 79 11.358 2.899 4.163 1.00 32.23 H new ATOM 1349 N ILE X 80 9.517 3.921 6.030 1.00 5.22 N ATOM 1350 CA ILE X 80 8.194 3.957 6.719 1.00 53.43 C ATOM 1351 C ILE X 80 7.517 5.309 6.458 1.00 35.43 C ATOM 1352 O ILE X 80 6.331 5.377 6.200 1.00 20.13 O ATOM 1353 CB ILE X 80 8.394 3.765 8.227 1.00 52.02 C ATOM 1354 CG1 ILE X 80 8.896 2.341 8.506 1.00 22.24 C ATOM 1355 CG2 ILE X 80 7.063 3.982 8.947 1.00 2.11 C ATOM 1356 CD1 ILE X 80 9.309 2.215 9.976 1.00 1.44 C ATOM 0 H ILE X 80 10.324 3.836 6.648 1.00 5.22 H new ATOM 0 HA ILE X 80 7.563 3.156 6.334 1.00 53.43 H new ATOM 0 HB ILE X 80 9.129 4.485 8.588 1.00 52.02 H new ATOM 0 HG12 ILE X 80 8.114 1.618 8.275 1.00 22.24 H new ATOM 0 HG13 ILE X 80 9.743 2.111 7.860 1.00 22.24 H new ATOM 0 HG21 ILE X 80 7.203 3.846 10.019 1.00 2.11 H new ATOM 0 HG22 ILE X 80 6.705 4.993 8.753 1.00 2.11 H new ATOM 0 HG23 ILE X 80 6.331 3.262 8.582 1.00 2.11 H new ATOM 0 HD11 ILE X 80 9.664 1.203 10.169 1.00 1.44 H new ATOM 0 HD12 ILE X 80 10.106 2.927 10.192 1.00 1.44 H new ATOM 0 HD13 ILE X 80 8.451 2.426 10.614 1.00 1.44 H new ATOM 1368 N LYS X 81 8.260 6.382 6.528 1.00 64.30 N ATOM 1369 CA LYS X 81 7.665 7.734 6.284 1.00 55.13 C ATOM 1370 C LYS X 81 7.001 7.756 4.904 1.00 54.33 C ATOM 1371 O LYS X 81 5.934 8.310 4.727 1.00 3.31 O ATOM 1372 CB LYS X 81 8.775 8.796 6.332 1.00 70.23 C ATOM 1373 CG LYS X 81 8.176 10.204 6.170 1.00 15.45 C ATOM 1374 CD LYS X 81 9.299 11.253 6.218 1.00 32.43 C ATOM 1375 CE LYS X 81 8.713 12.666 6.084 1.00 24.13 C ATOM 1376 NZ LYS X 81 9.804 13.679 6.164 1.00 52.33 N ATOM 0 H LYS X 81 9.257 6.383 6.744 1.00 64.30 H new ATOM 0 HA LYS X 81 6.921 7.948 7.051 1.00 55.13 H new ATOM 0 HB2 LYS X 81 9.311 8.728 7.279 1.00 70.23 H new ATOM 0 HB3 LYS X 81 9.501 8.609 5.540 1.00 70.23 H new ATOM 0 HG2 LYS X 81 7.639 10.275 5.224 1.00 15.45 H new ATOM 0 HG3 LYS X 81 7.452 10.395 6.962 1.00 15.45 H new ATOM 0 HD2 LYS X 81 9.847 11.167 7.156 1.00 32.43 H new ATOM 0 HD3 LYS X 81 10.012 11.070 5.414 1.00 32.43 H new ATOM 0 HE2 LYS X 81 8.185 12.762 5.135 1.00 24.13 H new ATOM 0 HE3 LYS X 81 7.983 12.842 6.874 1.00 24.13 H new ATOM 0 HZ1 LYS X 81 9.400 14.633 6.073 1.00 52.33 H new ATOM 0 HZ2 LYS X 81 10.289 13.595 7.080 1.00 52.33 H new ATOM 0 HZ3 LYS X 81 10.485 13.517 5.395 1.00 52.33 H new ATOM 1390 N ILE X 82 7.633 7.171 3.923 1.00 22.23 N ATOM 1391 CA ILE X 82 7.055 7.171 2.547 1.00 74.43 C ATOM 1392 C ILE X 82 5.752 6.362 2.527 1.00 33.03 C ATOM 1393 O ILE X 82 4.764 6.772 1.950 1.00 10.32 O ATOM 1394 CB ILE X 82 8.056 6.538 1.576 1.00 31.30 C ATOM 1395 CG1 ILE X 82 9.265 7.469 1.412 1.00 71.33 C ATOM 1396 CG2 ILE X 82 7.382 6.325 0.218 1.00 42.12 C ATOM 1397 CD1 ILE X 82 10.410 6.722 0.722 1.00 12.50 C ATOM 0 H ILE X 82 8.528 6.691 4.015 1.00 22.23 H new ATOM 0 HA ILE X 82 6.846 8.198 2.247 1.00 74.43 H new ATOM 0 HB ILE X 82 8.390 5.577 1.968 1.00 31.30 H new ATOM 0 HG12 ILE X 82 8.984 8.344 0.825 1.00 71.33 H new ATOM 0 HG13 ILE X 82 9.591 7.831 2.387 1.00 71.33 H new ATOM 0 HG21 ILE X 82 8.093 5.875 -0.474 1.00 42.12 H new ATOM 0 HG22 ILE X 82 6.524 5.664 0.338 1.00 42.12 H new ATOM 0 HG23 ILE X 82 7.049 7.285 -0.177 1.00 42.12 H new ATOM 0 HD11 ILE X 82 11.264 7.390 0.609 1.00 12.50 H new ATOM 0 HD12 ILE X 82 10.699 5.862 1.326 1.00 12.50 H new ATOM 0 HD13 ILE X 82 10.083 6.382 -0.261 1.00 12.50 H new ATOM 1409 N PHE X 83 5.749 5.214 3.149 1.00 64.12 N ATOM 1410 CA PHE X 83 4.531 4.353 3.148 1.00 4.22 C ATOM 1411 C PHE X 83 3.349 5.128 3.745 1.00 64.44 C ATOM 1412 O PHE X 83 2.282 5.201 3.167 1.00 24.24 O ATOM 1413 CB PHE X 83 4.795 3.104 3.998 1.00 63.22 C ATOM 1414 CG PHE X 83 5.452 2.032 3.154 1.00 31.20 C ATOM 1415 CD1 PHE X 83 4.723 1.383 2.149 1.00 73.41 C ATOM 1416 CD2 PHE X 83 6.791 1.685 3.380 1.00 11.32 C ATOM 1417 CE1 PHE X 83 5.332 0.387 1.373 1.00 33.10 C ATOM 1418 CE2 PHE X 83 7.399 0.690 2.603 1.00 50.33 C ATOM 1419 CZ PHE X 83 6.671 0.043 1.600 1.00 63.33 C ATOM 0 H PHE X 83 6.544 4.833 3.662 1.00 64.12 H new ATOM 0 HA PHE X 83 4.294 4.062 2.124 1.00 4.22 H new ATOM 0 HB2 PHE X 83 5.436 3.358 4.842 1.00 63.22 H new ATOM 0 HB3 PHE X 83 3.858 2.730 4.411 1.00 63.22 H new ATOM 0 HD1 PHE X 83 3.692 1.650 1.972 1.00 73.41 H new ATOM 0 HD2 PHE X 83 7.355 2.185 4.154 1.00 11.32 H new ATOM 0 HE1 PHE X 83 4.769 -0.115 0.600 1.00 33.10 H new ATOM 0 HE2 PHE X 83 8.431 0.423 2.779 1.00 50.33 H new ATOM 0 HZ PHE X 83 7.141 -0.722 1.000 1.00 63.33 H new ATOM 1429 N GLN X 84 3.537 5.708 4.900 1.00 3.32 N ATOM 1430 CA GLN X 84 2.446 6.502 5.543 1.00 51.11 C ATOM 1431 C GLN X 84 1.921 7.544 4.549 1.00 4.11 C ATOM 1432 O GLN X 84 0.733 7.783 4.456 1.00 74.53 O ATOM 1433 CB GLN X 84 3.012 7.208 6.783 1.00 23.32 C ATOM 1434 CG GLN X 84 1.905 7.970 7.514 1.00 55.20 C ATOM 1435 CD GLN X 84 2.447 8.514 8.837 1.00 32.22 C ATOM 1436 OE1 GLN X 84 3.467 8.067 9.322 1.00 35.30 O ATOM 1437 NE2 GLN X 84 1.798 9.463 9.452 1.00 64.23 N ATOM 0 H GLN X 84 4.407 5.666 5.431 1.00 3.32 H new ATOM 0 HA GLN X 84 1.628 5.844 5.836 1.00 51.11 H new ATOM 0 HB2 GLN X 84 3.462 6.475 7.453 1.00 23.32 H new ATOM 0 HB3 GLN X 84 3.803 7.897 6.488 1.00 23.32 H new ATOM 0 HG2 GLN X 84 1.542 8.789 6.893 1.00 55.20 H new ATOM 0 HG3 GLN X 84 1.057 7.311 7.700 1.00 55.20 H new ATOM 0 HE21 GLN X 84 0.941 9.840 9.047 1.00 64.23 H new ATOM 0 HE22 GLN X 84 2.147 9.828 10.338 1.00 64.23 H new ATOM 1446 N ARG X 85 2.807 8.160 3.807 1.00 53.44 N ATOM 1447 CA ARG X 85 2.377 9.181 2.800 1.00 20.42 C ATOM 1448 C ARG X 85 1.444 8.522 1.777 1.00 64.32 C ATOM 1449 O ARG X 85 0.446 9.087 1.378 1.00 20.32 O ATOM 1450 CB ARG X 85 3.616 9.742 2.079 1.00 51.13 C ATOM 1451 CG ARG X 85 3.207 10.860 1.088 1.00 32.50 C ATOM 1452 CD ARG X 85 4.465 11.357 0.344 1.00 53.45 C ATOM 1453 NE ARG X 85 5.444 12.054 1.301 1.00 74.01 N ATOM 1454 CZ ARG X 85 5.150 13.226 1.808 1.00 41.40 C ATOM 1455 NH1 ARG X 85 3.969 13.727 1.594 1.00 43.13 N ATOM 1456 NH2 ARG X 85 6.014 13.880 2.540 1.00 33.34 N ATOM 0 H ARG X 85 3.813 8.000 3.855 1.00 53.44 H new ATOM 0 HA ARG X 85 1.852 9.993 3.303 1.00 20.42 H new ATOM 0 HB2 ARG X 85 4.322 10.136 2.810 1.00 51.13 H new ATOM 0 HB3 ARG X 85 4.126 8.941 1.543 1.00 51.13 H new ATOM 0 HG2 ARG X 85 2.473 10.482 0.376 1.00 32.50 H new ATOM 0 HG3 ARG X 85 2.736 11.684 1.624 1.00 32.50 H new ATOM 0 HD2 ARG X 85 4.962 10.514 -0.137 1.00 53.45 H new ATOM 0 HD3 ARG X 85 4.173 12.048 -0.447 1.00 53.45 H new ATOM 0 HE ARG X 85 6.326 11.603 1.543 1.00 74.01 H new ATOM 0 HH11 ARG X 85 3.288 13.209 1.039 1.00 43.13 H new ATOM 0 HH12 ARG X 85 3.724 14.638 1.981 1.00 43.13 H new ATOM 0 HH21 ARG X 85 6.934 13.479 2.724 1.00 33.34 H new ATOM 0 HH22 ARG X 85 5.768 14.791 2.927 1.00 33.34 H new ATOM 1470 N LEU X 86 1.766 7.325 1.352 1.00 62.43 N ATOM 1471 CA LEU X 86 0.900 6.606 0.362 1.00 30.43 C ATOM 1472 C LEU X 86 -0.430 6.222 1.017 1.00 24.03 C ATOM 1473 O LEU X 86 -1.463 6.196 0.376 1.00 63.14 O ATOM 1474 CB LEU X 86 1.617 5.331 -0.106 1.00 45.15 C ATOM 1475 CG LEU X 86 2.958 5.682 -0.768 1.00 44.52 C ATOM 1476 CD1 LEU X 86 3.702 4.405 -1.162 1.00 44.13 C ATOM 1477 CD2 LEU X 86 2.696 6.516 -2.029 1.00 71.33 C ATOM 0 H LEU X 86 2.596 6.811 1.649 1.00 62.43 H new ATOM 0 HA LEU X 86 0.709 7.259 -0.489 1.00 30.43 H new ATOM 0 HB2 LEU X 86 1.786 4.669 0.743 1.00 45.15 H new ATOM 0 HB3 LEU X 86 0.987 4.790 -0.812 1.00 45.15 H new ATOM 0 HG LEU X 86 3.565 6.248 -0.062 1.00 44.52 H new ATOM 0 HD11 LEU X 86 4.651 4.667 -1.630 1.00 44.13 H new ATOM 0 HD12 LEU X 86 3.890 3.804 -0.272 1.00 44.13 H new ATOM 0 HD13 LEU X 86 3.096 3.833 -1.865 1.00 44.13 H new ATOM 0 HD21 LEU X 86 3.645 6.768 -2.502 1.00 71.33 H new ATOM 0 HD22 LEU X 86 2.084 5.941 -2.725 1.00 71.33 H new ATOM 0 HD23 LEU X 86 2.172 7.432 -1.757 1.00 71.33 H new ATOM 1489 N ILE X 87 -0.412 5.922 2.290 1.00 34.44 N ATOM 1490 CA ILE X 87 -1.670 5.522 2.987 1.00 64.33 C ATOM 1491 C ILE X 87 -2.655 6.698 2.981 1.00 20.30 C ATOM 1492 O ILE X 87 -3.832 6.534 2.728 1.00 4.44 O ATOM 1493 CB ILE X 87 -1.348 5.126 4.431 1.00 43.52 C ATOM 1494 CG1 ILE X 87 -0.480 3.857 4.440 1.00 72.15 C ATOM 1495 CG2 ILE X 87 -2.649 4.866 5.195 1.00 50.02 C ATOM 1496 CD1 ILE X 87 -1.216 2.707 3.750 1.00 42.22 C ATOM 0 H ILE X 87 0.422 5.937 2.878 1.00 34.44 H new ATOM 0 HA ILE X 87 -2.119 4.674 2.471 1.00 64.33 H new ATOM 0 HB ILE X 87 -0.802 5.937 4.913 1.00 43.52 H new ATOM 0 HG12 ILE X 87 0.465 4.050 3.932 1.00 72.15 H new ATOM 0 HG13 ILE X 87 -0.239 3.580 5.466 1.00 72.15 H new ATOM 0 HG21 ILE X 87 -2.418 4.584 6.222 1.00 50.02 H new ATOM 0 HG22 ILE X 87 -3.258 5.770 5.195 1.00 50.02 H new ATOM 0 HG23 ILE X 87 -3.199 4.058 4.712 1.00 50.02 H new ATOM 0 HD11 ILE X 87 -0.590 1.815 3.763 1.00 42.22 H new ATOM 0 HD12 ILE X 87 -2.149 2.504 4.276 1.00 42.22 H new ATOM 0 HD13 ILE X 87 -1.434 2.982 2.718 1.00 42.22 H new ATOM 1508 N GLU X 88 -2.178 7.886 3.247 1.00 74.11 N ATOM 1509 CA GLU X 88 -3.074 9.077 3.250 1.00 13.14 C ATOM 1510 C GLU X 88 -3.700 9.228 1.859 1.00 20.12 C ATOM 1511 O GLU X 88 -4.900 9.364 1.716 1.00 40.25 O ATOM 1512 CB GLU X 88 -2.243 10.324 3.583 1.00 42.41 C ATOM 1513 CG GLU X 88 -1.666 10.210 4.997 1.00 45.01 C ATOM 1514 CD GLU X 88 -2.808 10.195 6.017 1.00 12.40 C ATOM 1515 OE1 GLU X 88 -3.895 10.621 5.667 1.00 75.42 O ATOM 1516 OE2 GLU X 88 -2.577 9.756 7.131 1.00 73.00 O ATOM 0 H GLU X 88 -1.201 8.082 3.463 1.00 74.11 H new ATOM 0 HA GLU X 88 -3.862 8.957 3.993 1.00 13.14 H new ATOM 0 HB2 GLU X 88 -1.435 10.436 2.860 1.00 42.41 H new ATOM 0 HB3 GLU X 88 -2.865 11.216 3.506 1.00 42.41 H new ATOM 0 HG2 GLU X 88 -1.073 9.300 5.087 1.00 45.01 H new ATOM 0 HG3 GLU X 88 -0.997 11.047 5.197 1.00 45.01 H new ATOM 1523 N HIS X 89 -2.890 9.196 0.832 1.00 31.35 N ATOM 1524 CA HIS X 89 -3.420 9.330 -0.557 1.00 5.44 C ATOM 1525 C HIS X 89 -4.290 8.113 -0.884 1.00 45.14 C ATOM 1526 O HIS X 89 -5.198 8.183 -1.689 1.00 4.14 O ATOM 1527 CB HIS X 89 -2.239 9.437 -1.534 1.00 2.51 C ATOM 1528 CG HIS X 89 -2.113 8.188 -2.368 1.00 72.25 C ATOM 1529 ND1 HIS X 89 -1.376 7.086 -1.954 1.00 43.44 N ATOM 1530 CD2 HIS X 89 -2.590 7.871 -3.618 1.00 0.55 C ATOM 1531 CE1 HIS X 89 -1.426 6.171 -2.941 1.00 44.21 C ATOM 1532 NE2 HIS X 89 -2.152 6.601 -3.974 1.00 4.33 N ATOM 0 H HIS X 89 -1.878 9.082 0.897 1.00 31.35 H new ATOM 0 HA HIS X 89 -4.032 10.228 -0.646 1.00 5.44 H new ATOM 0 HB2 HIS X 89 -2.378 10.300 -2.185 1.00 2.51 H new ATOM 0 HB3 HIS X 89 -1.316 9.602 -0.978 1.00 2.51 H new ATOM 0 HD1 HIS X 89 -0.886 6.988 -1.065 1.00 43.44 H new ATOM 0 HD2 HIS X 89 -3.210 8.510 -4.229 1.00 0.55 H new ATOM 0 HE1 HIS X 89 -0.939 5.208 -2.901 1.00 44.21 H new ATOM 1541 N ASN X 90 -4.030 7.004 -0.249 1.00 33.24 N ATOM 1542 CA ASN X 90 -4.852 5.785 -0.489 1.00 34.44 C ATOM 1543 C ASN X 90 -6.281 6.036 0.007 1.00 43.01 C ATOM 1544 O ASN X 90 -7.248 5.681 -0.642 1.00 54.24 O ATOM 1545 CB ASN X 90 -4.246 4.620 0.294 1.00 73.41 C ATOM 1546 CG ASN X 90 -4.845 3.292 -0.175 1.00 31.52 C ATOM 1547 OD1 ASN X 90 -5.926 2.923 0.240 1.00 52.44 O ATOM 1548 ND2 ASN X 90 -4.180 2.548 -1.016 1.00 43.21 N ATOM 0 H ASN X 90 -3.278 6.889 0.431 1.00 33.24 H new ATOM 0 HA ASN X 90 -4.869 5.550 -1.553 1.00 34.44 H new ATOM 0 HB2 ASN X 90 -3.165 4.606 0.159 1.00 73.41 H new ATOM 0 HB3 ASN X 90 -4.432 4.754 1.360 1.00 73.41 H new ATOM 0 HD21 ASN X 90 -4.568 1.657 -1.325 1.00 43.21 H new ATOM 0 HD22 ASN X 90 -3.273 2.858 -1.364 1.00 43.21 H new ATOM 1555 N LYS X 91 -6.415 6.648 1.156 1.00 32.33 N ATOM 1556 CA LYS X 91 -7.772 6.943 1.701 1.00 20.42 C ATOM 1557 C LYS X 91 -8.434 8.019 0.833 1.00 63.20 C ATOM 1558 O LYS X 91 -9.584 7.908 0.454 1.00 0.42 O ATOM 1559 CB LYS X 91 -7.654 7.467 3.144 1.00 40.45 C ATOM 1560 CG LYS X 91 -9.043 7.766 3.727 1.00 72.33 C ATOM 1561 CD LYS X 91 -8.895 8.292 5.165 1.00 21.03 C ATOM 1562 CE LYS X 91 -10.269 8.660 5.735 1.00 2.14 C ATOM 1563 NZ LYS X 91 -11.262 7.603 5.379 1.00 62.21 N ATOM 0 H LYS X 91 -5.639 6.957 1.741 1.00 32.33 H new ATOM 0 HA LYS X 91 -8.370 6.032 1.695 1.00 20.42 H new ATOM 0 HB2 LYS X 91 -7.145 6.729 3.764 1.00 40.45 H new ATOM 0 HB3 LYS X 91 -7.045 8.371 3.160 1.00 40.45 H new ATOM 0 HG2 LYS X 91 -9.557 8.503 3.110 1.00 72.33 H new ATOM 0 HG3 LYS X 91 -9.654 6.863 3.720 1.00 72.33 H new ATOM 0 HD2 LYS X 91 -8.424 7.534 5.791 1.00 21.03 H new ATOM 0 HD3 LYS X 91 -8.242 9.165 5.176 1.00 21.03 H new ATOM 0 HE2 LYS X 91 -10.208 8.765 6.818 1.00 2.14 H new ATOM 0 HE3 LYS X 91 -10.591 9.623 5.339 1.00 2.14 H new ATOM 0 HZ1 LYS X 91 -12.085 7.673 6.011 1.00 62.21 H new ATOM 0 HZ2 LYS X 91 -11.570 7.733 4.394 1.00 62.21 H new ATOM 0 HZ3 LYS X 91 -10.824 6.666 5.483 1.00 62.21 H new ATOM 1577 N ALA X 92 -7.719 9.068 0.536 1.00 21.32 N ATOM 1578 CA ALA X 92 -8.300 10.176 -0.280 1.00 42.04 C ATOM 1579 C ALA X 92 -9.086 9.630 -1.478 1.00 33.21 C ATOM 1580 O ALA X 92 -10.291 9.773 -1.559 1.00 2.23 O ATOM 1581 CB ALA X 92 -7.172 11.060 -0.806 1.00 12.50 C ATOM 0 H ALA X 92 -6.751 9.208 0.824 1.00 21.32 H new ATOM 0 HA ALA X 92 -8.976 10.746 0.357 1.00 42.04 H new ATOM 0 HB1 ALA X 92 -7.592 11.870 -1.402 1.00 12.50 H new ATOM 0 HB2 ALA X 92 -6.616 11.478 0.033 1.00 12.50 H new ATOM 0 HB3 ALA X 92 -6.501 10.464 -1.425 1.00 12.50 H new ATOM 1587 N LEU X 93 -8.406 9.045 -2.431 1.00 71.31 N ATOM 1588 CA LEU X 93 -9.104 8.553 -3.654 1.00 42.45 C ATOM 1589 C LEU X 93 -10.101 7.448 -3.290 1.00 72.44 C ATOM 1590 O LEU X 93 -11.088 7.237 -3.971 1.00 45.13 O ATOM 1591 CB LEU X 93 -8.063 8.083 -4.691 1.00 44.10 C ATOM 1592 CG LEU X 93 -7.813 6.566 -4.637 1.00 31.02 C ATOM 1593 CD1 LEU X 93 -7.504 6.117 -3.210 1.00 54.54 C ATOM 1594 CD2 LEU X 93 -9.035 5.815 -5.164 1.00 74.41 C ATOM 0 H LEU X 93 -7.398 8.887 -2.414 1.00 71.31 H new ATOM 0 HA LEU X 93 -9.677 9.364 -4.103 1.00 42.45 H new ATOM 0 HB2 LEU X 93 -8.403 8.356 -5.690 1.00 44.10 H new ATOM 0 HB3 LEU X 93 -7.123 8.608 -4.520 1.00 44.10 H new ATOM 0 HG LEU X 93 -6.952 6.339 -5.265 1.00 31.02 H new ATOM 0 HD11 LEU X 93 -7.331 5.041 -3.197 1.00 54.54 H new ATOM 0 HD12 LEU X 93 -6.613 6.632 -2.851 1.00 54.54 H new ATOM 0 HD13 LEU X 93 -8.347 6.357 -2.562 1.00 54.54 H new ATOM 0 HD21 LEU X 93 -8.849 4.742 -5.122 1.00 74.41 H new ATOM 0 HD22 LEU X 93 -9.903 6.057 -4.551 1.00 74.41 H new ATOM 0 HD23 LEU X 93 -9.226 6.110 -6.196 1.00 74.41 H new ATOM 1606 N GLN X 94 -9.868 6.771 -2.205 1.00 51.33 N ATOM 1607 CA GLN X 94 -10.815 5.717 -1.751 1.00 23.03 C ATOM 1608 C GLN X 94 -12.168 6.364 -1.431 1.00 40.23 C ATOM 1609 O GLN X 94 -13.199 5.969 -1.942 1.00 53.40 O ATOM 1610 CB GLN X 94 -10.269 5.067 -0.479 1.00 63.41 C ATOM 1611 CG GLN X 94 -9.777 3.664 -0.799 1.00 73.30 C ATOM 1612 CD GLN X 94 -9.031 3.060 0.399 1.00 21.33 C ATOM 1613 OE1 GLN X 94 -8.365 2.051 0.277 1.00 53.33 O ATOM 1614 NE2 GLN X 94 -9.114 3.643 1.564 1.00 71.02 N ATOM 0 H GLN X 94 -9.053 6.903 -1.606 1.00 51.33 H new ATOM 0 HA GLN X 94 -10.933 4.967 -2.533 1.00 23.03 H new ATOM 0 HB2 GLN X 94 -9.454 5.666 -0.072 1.00 63.41 H new ATOM 0 HB3 GLN X 94 -11.046 5.026 0.284 1.00 63.41 H new ATOM 0 HG2 GLN X 94 -10.623 3.029 -1.064 1.00 73.30 H new ATOM 0 HG3 GLN X 94 -9.117 3.694 -1.666 1.00 73.30 H new ATOM 0 HE21 GLN X 94 -9.672 4.490 1.672 1.00 71.02 H new ATOM 0 HE22 GLN X 94 -8.621 3.251 2.367 1.00 71.02 H new ATOM 1623 N LYS X 95 -12.164 7.355 -0.575 1.00 24.23 N ATOM 1624 CA LYS X 95 -13.435 8.038 -0.190 1.00 52.15 C ATOM 1625 C LYS X 95 -13.991 8.825 -1.383 1.00 54.22 C ATOM 1626 O LYS X 95 -15.159 8.735 -1.709 1.00 63.00 O ATOM 1627 CB LYS X 95 -13.172 9.020 0.963 1.00 20.40 C ATOM 1628 CG LYS X 95 -14.495 9.527 1.556 1.00 31.14 C ATOM 1629 CD LYS X 95 -14.218 10.218 2.900 1.00 23.44 C ATOM 1630 CE LYS X 95 -14.255 9.190 4.037 1.00 42.12 C ATOM 1631 NZ LYS X 95 -13.740 9.806 5.293 1.00 42.02 N ATOM 0 H LYS X 95 -11.327 7.722 -0.123 1.00 24.23 H new ATOM 0 HA LYS X 95 -14.154 7.281 0.121 1.00 52.15 H new ATOM 0 HB2 LYS X 95 -12.584 8.529 1.739 1.00 20.40 H new ATOM 0 HB3 LYS X 95 -12.583 9.863 0.602 1.00 20.40 H new ATOM 0 HG2 LYS X 95 -14.972 10.224 0.867 1.00 31.14 H new ATOM 0 HG3 LYS X 95 -15.186 8.696 1.697 1.00 31.14 H new ATOM 0 HD2 LYS X 95 -13.244 10.707 2.873 1.00 23.44 H new ATOM 0 HD3 LYS X 95 -14.961 10.996 3.078 1.00 23.44 H new ATOM 0 HE2 LYS X 95 -15.275 8.836 4.187 1.00 42.12 H new ATOM 0 HE3 LYS X 95 -13.652 8.321 3.774 1.00 42.12 H new ATOM 0 HZ1 LYS X 95 -13.767 9.105 6.060 1.00 42.02 H new ATOM 0 HZ2 LYS X 95 -12.760 10.122 5.148 1.00 42.02 H new ATOM 0 HZ3 LYS X 95 -14.333 10.621 5.548 1.00 42.02 H new ATOM 1645 N GLN X 96 -13.168 9.612 -2.022 1.00 11.40 N ATOM 1646 CA GLN X 96 -13.641 10.407 -3.194 1.00 62.05 C ATOM 1647 C GLN X 96 -14.213 9.466 -4.263 1.00 13.43 C ATOM 1648 O GLN X 96 -15.213 9.756 -4.889 1.00 11.03 O ATOM 1649 CB GLN X 96 -12.462 11.196 -3.778 1.00 64.24 C ATOM 1650 CG GLN X 96 -11.958 12.218 -2.753 1.00 13.52 C ATOM 1651 CD GLN X 96 -13.039 13.266 -2.488 1.00 51.13 C ATOM 1652 OE1 GLN X 96 -13.490 13.421 -1.369 1.00 64.43 O ATOM 1653 NE2 GLN X 96 -13.482 13.995 -3.476 1.00 43.13 N ATOM 0 H GLN X 96 -12.185 9.740 -1.783 1.00 11.40 H new ATOM 0 HA GLN X 96 -14.421 11.098 -2.874 1.00 62.05 H new ATOM 0 HB2 GLN X 96 -11.657 10.514 -4.051 1.00 64.24 H new ATOM 0 HB3 GLN X 96 -12.771 11.706 -4.691 1.00 64.24 H new ATOM 0 HG2 GLN X 96 -11.693 11.714 -1.824 1.00 13.52 H new ATOM 0 HG3 GLN X 96 -11.054 12.701 -3.123 1.00 13.52 H new ATOM 0 HE21 GLN X 96 -13.104 13.866 -4.415 1.00 43.13 H new ATOM 0 HE22 GLN X 96 -14.206 14.694 -3.309 1.00 43.13 H new ATOM 1662 N TYR X 97 -13.581 8.345 -4.477 1.00 45.25 N ATOM 1663 CA TYR X 97 -14.079 7.371 -5.495 1.00 62.35 C ATOM 1664 C TYR X 97 -15.465 6.852 -5.091 1.00 71.21 C ATOM 1665 O TYR X 97 -16.383 6.821 -5.887 1.00 32.33 O ATOM 1666 CB TYR X 97 -13.106 6.194 -5.568 1.00 1.13 C ATOM 1667 CG TYR X 97 -13.694 5.075 -6.397 1.00 3.32 C ATOM 1668 CD1 TYR X 97 -13.747 5.194 -7.792 1.00 74.04 C ATOM 1669 CD2 TYR X 97 -14.190 3.923 -5.775 1.00 13.24 C ATOM 1670 CE1 TYR X 97 -14.298 4.163 -8.564 1.00 72.10 C ATOM 1671 CE2 TYR X 97 -14.742 2.892 -6.547 1.00 34.51 C ATOM 1672 CZ TYR X 97 -14.792 3.012 -7.942 1.00 72.34 C ATOM 1673 OH TYR X 97 -15.337 1.997 -8.703 1.00 3.11 O ATOM 0 H TYR X 97 -12.734 8.058 -3.987 1.00 45.25 H new ATOM 0 HA TYR X 97 -14.151 7.864 -6.464 1.00 62.35 H new ATOM 0 HB2 TYR X 97 -12.162 6.521 -6.004 1.00 1.13 H new ATOM 0 HB3 TYR X 97 -12.885 5.834 -4.563 1.00 1.13 H new ATOM 0 HD1 TYR X 97 -13.363 6.081 -8.273 1.00 74.04 H new ATOM 0 HD2 TYR X 97 -14.147 3.829 -4.700 1.00 13.24 H new ATOM 0 HE1 TYR X 97 -14.341 4.257 -9.639 1.00 72.10 H new ATOM 0 HE2 TYR X 97 -15.129 2.005 -6.067 1.00 34.51 H new ATOM 0 HH TYR X 97 -15.632 1.270 -8.116 1.00 3.11 H new ATOM 1683 N LEU X 98 -15.616 6.434 -3.860 1.00 51.53 N ATOM 1684 CA LEU X 98 -16.934 5.902 -3.398 1.00 52.20 C ATOM 1685 C LEU X 98 -18.004 7.000 -3.516 1.00 31.31 C ATOM 1686 O LEU X 98 -19.132 6.740 -3.887 1.00 11.44 O ATOM 1687 CB LEU X 98 -16.834 5.467 -1.927 1.00 5.51 C ATOM 1688 CG LEU X 98 -16.129 4.109 -1.795 1.00 12.44 C ATOM 1689 CD1 LEU X 98 -15.704 3.917 -0.336 1.00 73.22 C ATOM 1690 CD2 LEU X 98 -17.079 2.972 -2.188 1.00 2.34 C ATOM 0 H LEU X 98 -14.881 6.438 -3.153 1.00 51.53 H new ATOM 0 HA LEU X 98 -17.207 5.048 -4.018 1.00 52.20 H new ATOM 0 HB2 LEU X 98 -16.288 6.220 -1.359 1.00 5.51 H new ATOM 0 HB3 LEU X 98 -17.833 5.404 -1.495 1.00 5.51 H new ATOM 0 HG LEU X 98 -15.262 4.090 -2.455 1.00 12.44 H new ATOM 0 HD11 LEU X 98 -15.202 2.956 -0.227 1.00 73.22 H new ATOM 0 HD12 LEU X 98 -15.023 4.717 -0.047 1.00 73.22 H new ATOM 0 HD13 LEU X 98 -16.585 3.941 0.306 1.00 73.22 H new ATOM 0 HD21 LEU X 98 -16.564 2.017 -2.089 1.00 2.34 H new ATOM 0 HD22 LEU X 98 -17.951 2.984 -1.534 1.00 2.34 H new ATOM 0 HD23 LEU X 98 -17.399 3.106 -3.221 1.00 2.34 H new ATOM 1702 N GLU X 99 -17.659 8.220 -3.195 1.00 14.35 N ATOM 1703 CA GLU X 99 -18.649 9.339 -3.291 1.00 3.22 C ATOM 1704 C GLU X 99 -18.997 9.591 -4.759 1.00 21.54 C ATOM 1705 O GLU X 99 -20.121 9.908 -5.095 1.00 51.21 O ATOM 1706 CB GLU X 99 -18.033 10.613 -2.700 1.00 41.04 C ATOM 1707 CG GLU X 99 -17.832 10.454 -1.186 1.00 60.54 C ATOM 1708 CD GLU X 99 -19.184 10.291 -0.491 1.00 62.22 C ATOM 1709 OE1 GLU X 99 -20.181 10.671 -1.082 1.00 11.11 O ATOM 1710 OE2 GLU X 99 -19.199 9.797 0.622 1.00 53.14 O ATOM 0 H GLU X 99 -16.732 8.492 -2.869 1.00 14.35 H new ATOM 0 HA GLU X 99 -19.551 9.071 -2.740 1.00 3.22 H new ATOM 0 HB2 GLU X 99 -17.077 10.820 -3.181 1.00 41.04 H new ATOM 0 HB3 GLU X 99 -18.682 11.466 -2.900 1.00 41.04 H new ATOM 0 HG2 GLU X 99 -17.203 9.587 -0.984 1.00 60.54 H new ATOM 0 HG3 GLU X 99 -17.312 11.325 -0.787 1.00 60.54 H new ATOM 1717 N GLU X 100 -18.032 9.468 -5.634 1.00 61.42 N ATOM 1718 CA GLU X 100 -18.289 9.728 -7.081 1.00 12.32 C ATOM 1719 C GLU X 100 -19.201 8.640 -7.653 1.00 22.21 C ATOM 1720 O GLU X 100 -19.923 8.862 -8.605 1.00 2.34 O ATOM 1721 CB GLU X 100 -16.952 9.773 -7.839 1.00 31.35 C ATOM 1722 CG GLU X 100 -16.685 8.447 -8.561 1.00 22.13 C ATOM 1723 CD GLU X 100 -17.483 8.391 -9.865 1.00 62.51 C ATOM 1724 OE1 GLU X 100 -18.201 9.336 -10.141 1.00 61.44 O ATOM 1725 OE2 GLU X 100 -17.359 7.403 -10.567 1.00 22.23 O ATOM 0 H GLU X 100 -17.075 9.198 -5.407 1.00 61.42 H new ATOM 0 HA GLU X 100 -18.790 10.689 -7.197 1.00 12.32 H new ATOM 0 HB2 GLU X 100 -16.967 10.588 -8.562 1.00 31.35 H new ATOM 0 HB3 GLU X 100 -16.141 9.981 -7.141 1.00 31.35 H new ATOM 0 HG2 GLU X 100 -15.620 8.346 -8.772 1.00 22.13 H new ATOM 0 HG3 GLU X 100 -16.963 7.611 -7.919 1.00 22.13 H new ATOM 1732 N THR X 101 -19.192 7.472 -7.071 1.00 61.24 N ATOM 1733 CA THR X 101 -20.074 6.384 -7.576 1.00 12.42 C ATOM 1734 C THR X 101 -21.491 6.602 -7.038 1.00 22.32 C ATOM 1735 O THR X 101 -22.468 6.268 -7.678 1.00 34.52 O ATOM 1736 CB THR X 101 -19.548 5.030 -7.096 1.00 52.25 C ATOM 1737 OG1 THR X 101 -19.200 5.123 -5.723 1.00 14.03 O ATOM 1738 CG2 THR X 101 -18.317 4.635 -7.913 1.00 61.11 C ATOM 0 H THR X 101 -18.613 7.225 -6.269 1.00 61.24 H new ATOM 0 HA THR X 101 -20.086 6.397 -8.666 1.00 12.42 H new ATOM 0 HB THR X 101 -20.321 4.272 -7.227 1.00 52.25 H new ATOM 0 HG1 THR X 101 -19.585 5.940 -5.342 1.00 14.03 H new ATOM 0 HG21 THR X 101 -17.946 3.670 -7.568 1.00 61.11 H new ATOM 0 HG22 THR X 101 -18.587 4.564 -8.967 1.00 61.11 H new ATOM 0 HG23 THR X 101 -17.540 5.389 -7.788 1.00 61.11 H new ATOM 1746 N LEU X 102 -21.609 7.175 -5.866 1.00 21.54 N ATOM 1747 CA LEU X 102 -22.961 7.417 -5.283 1.00 51.35 C ATOM 1748 C LEU X 102 -23.645 8.537 -6.077 1.00 34.15 C ATOM 1749 O LEU X 102 -24.858 8.610 -6.156 1.00 25.44 O ATOM 1750 CB LEU X 102 -22.826 7.868 -3.818 1.00 11.21 C ATOM 1751 CG LEU X 102 -22.285 6.735 -2.935 1.00 63.43 C ATOM 1752 CD1 LEU X 102 -22.012 7.285 -1.531 1.00 31.43 C ATOM 1753 CD2 LEU X 102 -23.319 5.609 -2.836 1.00 42.04 C ATOM 0 H LEU X 102 -20.827 7.485 -5.289 1.00 21.54 H new ATOM 0 HA LEU X 102 -23.546 6.498 -5.330 1.00 51.35 H new ATOM 0 HB2 LEU X 102 -22.159 8.728 -3.760 1.00 11.21 H new ATOM 0 HB3 LEU X 102 -23.797 8.192 -3.444 1.00 11.21 H new ATOM 0 HG LEU X 102 -21.367 6.344 -3.373 1.00 63.43 H new ATOM 0 HD11 LEU X 102 -21.627 6.487 -0.896 1.00 31.43 H new ATOM 0 HD12 LEU X 102 -21.277 8.087 -1.591 1.00 31.43 H new ATOM 0 HD13 LEU X 102 -22.938 7.672 -1.106 1.00 31.43 H new ATOM 0 HD21 LEU X 102 -22.927 4.809 -2.208 1.00 42.04 H new ATOM 0 HD22 LEU X 102 -24.239 5.997 -2.398 1.00 42.04 H new ATOM 0 HD23 LEU X 102 -23.528 5.219 -3.832 1.00 42.04 H new ATOM 1765 N GLU X 103 -22.865 9.417 -6.653 1.00 4.00 N ATOM 1766 CA GLU X 103 -23.433 10.560 -7.435 1.00 23.43 C ATOM 1767 C GLU X 103 -23.102 10.436 -8.912 1.00 3.04 C ATOM 1768 O GLU X 103 -22.018 10.023 -9.299 1.00 71.20 O ATOM 1769 CB GLU X 103 -22.811 11.879 -6.964 1.00 51.34 C ATOM 1770 CG GLU X 103 -23.243 12.197 -5.537 1.00 51.21 C ATOM 1771 CD GLU X 103 -22.539 13.475 -5.074 1.00 21.11 C ATOM 1772 OE1 GLU X 103 -21.782 14.027 -5.854 1.00 62.22 O ATOM 1773 OE2 GLU X 103 -22.768 13.878 -3.948 1.00 13.43 O ATOM 0 H GLU X 103 -21.846 9.392 -6.615 1.00 4.00 H new ATOM 0 HA GLU X 103 -24.512 10.543 -7.281 1.00 23.43 H new ATOM 0 HB2 GLU X 103 -21.724 11.813 -7.014 1.00 51.34 H new ATOM 0 HB3 GLU X 103 -23.113 12.688 -7.630 1.00 51.34 H new ATOM 0 HG2 GLU X 103 -24.324 12.326 -5.491 1.00 51.21 H new ATOM 0 HG3 GLU X 103 -22.992 11.368 -4.875 1.00 51.21 H new