USER MOD reduce.3.24.130724 H: found=0, std=0, add=502, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 503 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 GLN : amide:sc= -4.94! C(o=-4.5!,f=-16!) USER MOD Set 1.2: A 48 LYS NZ :NH3+ 133:sc= 0.399 (180deg=0) USER MOD Set 2.1: A 38 LYS NZ :NH3+ -130:sc= -0.062! (180deg=-0.816) USER MOD Set 2.2: A 39 TYR OH : rot 166:sc= 0.243 USER MOD Set 3.1: A 27 SER OG : rot 97:sc= 1.61 USER MOD Set 3.2: A 30 THR OG1 : rot 137:sc= 1.54 USER MOD Set 4.1: A 13 LYS NZ :NH3+ -145:sc= 0.611! (180deg=-2!) USER MOD Set 4.2: A 55 THR OG1 : rot 3:sc= 0.148 USER MOD Single : A 4 ASN : amide:sc= -2.74! C(o=-2.7!,f=-7.3!) USER MOD Single : A 5 ASN : amide:sc= 0.522 K(o=0.52,f=-5.5!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -151:sc= -0.0661 (180deg=-0.581) USER MOD Single : A 14 LYS NZ :NH3+ -159:sc=-0.00252 (180deg=-0.561) USER MOD Single : A 16 SER OG : rot -71:sc= 0.348 USER MOD Single : A 17 GLN : amide:sc= 1.13 K(o=1.1,f=-0.43) USER MOD Single : A 18 SER OG : rot 180:sc= -0.829 USER MOD Single : A 29 GLN : amide:sc= -0.0114 K(o=-0.011,f=-1.7!) USER MOD Single : A 32 ASN : amide:sc= -4.47! C(o=-4.5!,f=-12!) USER MOD Single : A 36 LYS NZ :NH3+ -109:sc= -1.37 (180deg=-8.23!) USER MOD Single : A 37 ASN : amide:sc= -0.0571 X(o=-0.057,f=-0.016) USER MOD Single : A 40 ASN : amide:sc= -0.538 X(o=-0.54,f=-0.073) USER MOD Single : A 42 SER OG : rot 180:sc= 0.0565 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0.277 K(o=0.28,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 56 N ASN A 4 -1.590 -1.626 -6.234 1.00 0.00 N ATOM 57 CA ASN A 4 -1.803 -2.570 -5.159 1.00 0.00 C ATOM 58 C ASN A 4 -1.865 -3.972 -5.728 1.00 0.00 C ATOM 59 O ASN A 4 -2.917 -4.421 -6.178 1.00 0.00 O ATOM 60 CB ASN A 4 -3.124 -2.234 -4.463 1.00 0.00 C ATOM 61 CG ASN A 4 -3.137 -0.781 -3.995 1.00 0.00 C ATOM 62 OD1 ASN A 4 -2.248 -0.346 -3.274 1.00 0.00 O ATOM 63 ND2 ASN A 4 -4.090 -0.001 -4.379 1.00 0.00 N ATOM 0 HA ASN A 4 -0.985 -2.512 -4.441 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -3.955 -2.408 -5.147 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -3.269 -2.897 -3.610 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -4.101 0.975 -4.082 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -4.832 -0.360 -4.980 1.00 0.00 H new ATOM 70 N ASN A 5 -0.728 -4.642 -5.777 1.00 0.00 N ATOM 71 CA ASN A 5 -0.643 -5.968 -6.387 1.00 0.00 C ATOM 72 C ASN A 5 -0.387 -7.071 -5.364 1.00 0.00 C ATOM 73 O ASN A 5 0.264 -8.071 -5.666 1.00 0.00 O ATOM 74 CB ASN A 5 0.403 -6.003 -7.523 1.00 0.00 C ATOM 75 CG ASN A 5 1.613 -5.140 -7.185 1.00 0.00 C ATOM 76 OD1 ASN A 5 1.782 -4.718 -6.041 1.00 0.00 O ATOM 77 ND2 ASN A 5 2.467 -4.836 -8.118 1.00 0.00 N ATOM 0 H ASN A 5 0.154 -4.294 -5.402 1.00 0.00 H new ATOM 0 HA ASN A 5 -1.621 -6.169 -6.825 1.00 0.00 H new ATOM 0 HB2 ASN A 5 0.723 -7.031 -7.695 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -0.051 -5.651 -8.450 1.00 0.00 H new ATOM 0 HD21 ASN A 5 3.273 -4.250 -7.900 1.00 0.00 H new ATOM 0 HD22 ASN A 5 2.331 -5.184 -9.067 1.00 0.00 H new ATOM 84 N LEU A 6 -0.983 -6.935 -4.185 1.00 0.00 N ATOM 85 CA LEU A 6 -0.850 -7.965 -3.150 1.00 0.00 C ATOM 86 C LEU A 6 -1.401 -9.289 -3.627 1.00 0.00 C ATOM 87 O LEU A 6 -0.861 -10.348 -3.303 1.00 0.00 O ATOM 88 CB LEU A 6 -1.600 -7.553 -1.855 1.00 0.00 C ATOM 89 CG LEU A 6 -2.124 -8.828 -1.125 1.00 0.00 C ATOM 90 CD1 LEU A 6 -2.028 -8.687 0.378 1.00 0.00 C ATOM 91 CD2 LEU A 6 -3.588 -9.093 -1.508 1.00 0.00 C ATOM 0 H LEU A 6 -1.557 -6.134 -3.920 1.00 0.00 H new ATOM 0 HA LEU A 6 0.214 -8.069 -2.938 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.933 -6.994 -1.199 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.433 -6.894 -2.099 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.498 -9.663 -1.438 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.402 -9.594 0.853 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.988 -8.530 0.663 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.625 -7.835 0.702 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.943 -9.985 -0.993 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -4.200 -8.239 -1.218 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.661 -9.243 -2.585 1.00 0.00 H new ATOM 103 N LYS A 7 -2.560 -9.234 -4.247 1.00 0.00 N ATOM 104 CA LYS A 7 -3.299 -10.436 -4.581 1.00 0.00 C ATOM 105 C LYS A 7 -2.388 -11.540 -5.076 1.00 0.00 C ATOM 106 O LYS A 7 -2.423 -12.642 -4.549 1.00 0.00 O ATOM 107 CB LYS A 7 -4.408 -10.126 -5.590 1.00 0.00 C ATOM 108 CG LYS A 7 -3.865 -9.254 -6.731 1.00 0.00 C ATOM 109 CD LYS A 7 -4.966 -8.296 -7.202 1.00 0.00 C ATOM 110 CE LYS A 7 -4.435 -7.410 -8.332 1.00 0.00 C ATOM 111 NZ LYS A 7 -4.567 -8.121 -9.629 1.00 0.00 N ATOM 0 H LYS A 7 -3.014 -8.366 -4.532 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.767 -10.802 -3.667 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.811 -11.055 -5.994 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.230 -9.612 -5.091 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.996 -8.690 -6.392 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.534 -9.882 -7.558 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.830 -8.863 -7.548 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.303 -7.677 -6.370 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.989 -6.472 -8.362 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.390 -7.158 -8.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -4.206 -7.517 -10.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -4.020 -9.005 -9.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.568 -8.340 -9.804 1.00 0.00 H new ATOM 125 N LEU A 8 -1.499 -11.205 -5.995 1.00 0.00 N ATOM 126 CA LEU A 8 -0.551 -12.177 -6.540 1.00 0.00 C ATOM 127 C LEU A 8 0.335 -12.752 -5.437 1.00 0.00 C ATOM 128 O LEU A 8 0.478 -13.976 -5.304 1.00 0.00 O ATOM 129 CB LEU A 8 0.339 -11.472 -7.576 1.00 0.00 C ATOM 130 CG LEU A 8 -0.431 -11.146 -8.888 1.00 0.00 C ATOM 131 CD1 LEU A 8 -1.753 -11.921 -8.987 1.00 0.00 C ATOM 132 CD2 LEU A 8 -0.721 -9.642 -8.965 1.00 0.00 C ATOM 0 H LEU A 8 -1.409 -10.266 -6.384 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.109 -12.992 -7.000 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.731 -10.549 -7.148 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.196 -12.105 -7.807 1.00 0.00 H new ATOM 0 HG LEU A 8 0.203 -11.450 -9.721 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.257 -11.663 -9.918 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.549 -12.992 -8.969 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.392 -11.659 -8.144 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.260 -9.422 -9.886 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.328 -9.344 -8.110 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.218 -9.089 -8.954 1.00 0.00 H new ATOM 144 N ILE A 9 0.840 -11.881 -4.607 1.00 0.00 N ATOM 145 CA ILE A 9 1.652 -12.265 -3.465 1.00 0.00 C ATOM 146 C ILE A 9 0.812 -13.074 -2.499 1.00 0.00 C ATOM 147 O ILE A 9 1.241 -14.111 -1.986 1.00 0.00 O ATOM 148 CB ILE A 9 2.172 -10.997 -2.807 1.00 0.00 C ATOM 149 CG1 ILE A 9 3.154 -10.338 -3.772 1.00 0.00 C ATOM 150 CG2 ILE A 9 2.907 -11.338 -1.503 1.00 0.00 C ATOM 151 CD1 ILE A 9 3.171 -8.854 -3.523 1.00 0.00 C ATOM 0 H ILE A 9 0.703 -10.874 -4.697 1.00 0.00 H new ATOM 0 HA ILE A 9 2.495 -12.882 -3.776 1.00 0.00 H new ATOM 0 HB ILE A 9 1.340 -10.331 -2.577 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.152 -10.754 -3.634 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.863 -10.543 -4.802 1.00 0.00 H new ATOM 0 HG21 ILE A 9 3.274 -10.421 -1.042 1.00 0.00 H new ATOM 0 HG22 ILE A 9 2.222 -11.839 -0.819 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.748 -11.997 -1.721 1.00 0.00 H new ATOM 0 HD11 ILE A 9 3.871 -8.378 -4.210 1.00 0.00 H new ATOM 0 HD12 ILE A 9 2.173 -8.447 -3.682 1.00 0.00 H new ATOM 0 HD13 ILE A 9 3.482 -8.661 -2.496 1.00 0.00 H new ATOM 163 N ARG A 10 -0.393 -12.620 -2.285 1.00 0.00 N ATOM 164 CA ARG A 10 -1.312 -13.322 -1.426 1.00 0.00 C ATOM 165 C ARG A 10 -1.567 -14.733 -1.965 1.00 0.00 C ATOM 166 O ARG A 10 -1.492 -15.715 -1.214 1.00 0.00 O ATOM 167 CB ARG A 10 -2.610 -12.514 -1.289 1.00 0.00 C ATOM 168 CG ARG A 10 -3.781 -13.437 -0.978 1.00 0.00 C ATOM 169 CD ARG A 10 -4.619 -13.615 -2.244 1.00 0.00 C ATOM 170 NE ARG A 10 -5.647 -14.631 -2.037 1.00 0.00 N ATOM 171 CZ ARG A 10 -6.551 -14.937 -2.970 1.00 0.00 C ATOM 172 NH1 ARG A 10 -6.528 -14.320 -4.119 1.00 0.00 N ATOM 173 NH2 ARG A 10 -7.444 -15.862 -2.740 1.00 0.00 N ATOM 0 H ARG A 10 -0.764 -11.763 -2.695 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.879 -13.429 -0.432 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.503 -11.773 -0.497 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.805 -11.968 -2.212 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -3.417 -14.403 -0.628 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -4.391 -13.017 -0.178 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -5.085 -12.668 -2.515 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.976 -13.904 -3.075 1.00 0.00 H new ATOM 0 HE ARG A 10 -5.675 -15.126 -1.145 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -5.821 -13.607 -4.301 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -7.217 -14.550 -4.835 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -7.452 -16.352 -1.846 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -8.134 -16.094 -3.455 1.00 0.00 H new ATOM 187 N GLU A 11 -1.775 -14.850 -3.276 1.00 0.00 N ATOM 188 CA GLU A 11 -1.946 -16.185 -3.868 1.00 0.00 C ATOM 189 C GLU A 11 -0.657 -16.970 -3.702 1.00 0.00 C ATOM 190 O GLU A 11 -0.662 -18.188 -3.514 1.00 0.00 O ATOM 191 CB GLU A 11 -2.270 -16.139 -5.368 1.00 0.00 C ATOM 192 CG GLU A 11 -3.115 -14.930 -5.723 1.00 0.00 C ATOM 193 CD GLU A 11 -3.920 -15.217 -6.964 1.00 0.00 C ATOM 194 OE1 GLU A 11 -4.838 -16.000 -6.875 1.00 0.00 O ATOM 195 OE2 GLU A 11 -3.600 -14.679 -7.994 1.00 0.00 O ATOM 0 H GLU A 11 -1.829 -14.071 -3.932 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.784 -16.653 -3.351 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.342 -16.115 -5.940 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.798 -17.049 -5.654 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.780 -14.684 -4.895 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.475 -14.063 -5.886 1.00 0.00 H new ATOM 202 N LYS A 12 0.446 -16.257 -3.836 1.00 0.00 N ATOM 203 CA LYS A 12 1.775 -16.840 -3.777 1.00 0.00 C ATOM 204 C LYS A 12 1.977 -17.582 -2.460 1.00 0.00 C ATOM 205 O LYS A 12 2.552 -18.669 -2.446 1.00 0.00 O ATOM 206 CB LYS A 12 2.828 -15.736 -3.972 1.00 0.00 C ATOM 207 CG LYS A 12 4.262 -16.283 -3.844 1.00 0.00 C ATOM 208 CD LYS A 12 5.017 -15.483 -2.760 1.00 0.00 C ATOM 209 CE LYS A 12 6.037 -14.529 -3.407 1.00 0.00 C ATOM 210 NZ LYS A 12 7.085 -15.309 -4.119 1.00 0.00 N ATOM 0 H LYS A 12 0.445 -15.249 -3.990 1.00 0.00 H new ATOM 0 HA LYS A 12 1.888 -17.569 -4.579 1.00 0.00 H new ATOM 0 HB2 LYS A 12 2.699 -15.280 -4.954 1.00 0.00 H new ATOM 0 HB3 LYS A 12 2.672 -14.950 -3.233 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.238 -17.341 -3.582 1.00 0.00 H new ATOM 0 HG3 LYS A 12 4.781 -16.203 -4.799 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.308 -14.914 -2.160 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.529 -16.168 -2.084 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.531 -13.862 -4.105 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.496 -13.902 -2.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.975 -14.772 -4.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.231 -16.218 -3.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.782 -15.483 -5.099 1.00 0.00 H new ATOM 224 N LYS A 13 1.470 -17.024 -1.365 1.00 0.00 N ATOM 225 CA LYS A 13 1.544 -17.700 -0.064 1.00 0.00 C ATOM 226 C LYS A 13 0.220 -18.393 0.267 1.00 0.00 C ATOM 227 O LYS A 13 0.001 -18.828 1.400 1.00 0.00 O ATOM 228 CB LYS A 13 1.946 -16.734 1.061 1.00 0.00 C ATOM 229 CG LYS A 13 1.826 -15.275 0.594 1.00 0.00 C ATOM 230 CD LYS A 13 2.184 -14.341 1.756 1.00 0.00 C ATOM 231 CE LYS A 13 3.706 -14.317 1.950 1.00 0.00 C ATOM 232 NZ LYS A 13 4.036 -14.047 3.365 1.00 0.00 N ATOM 0 H LYS A 13 1.007 -16.115 -1.346 1.00 0.00 H new ATOM 0 HA LYS A 13 2.323 -18.459 -0.138 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.309 -16.896 1.931 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.970 -16.938 1.373 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.491 -15.095 -0.251 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.812 -15.073 0.249 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.818 -13.335 1.553 1.00 0.00 H new ATOM 0 HD3 LYS A 13 1.696 -14.679 2.670 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.134 -15.272 1.645 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.149 -13.551 1.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.901 -13.472 3.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.251 -13.532 3.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.188 -14.947 3.864 1.00 0.00 H new ATOM 246 N LYS A 14 -0.657 -18.487 -0.731 1.00 0.00 N ATOM 247 CA LYS A 14 -1.964 -19.132 -0.580 1.00 0.00 C ATOM 248 C LYS A 14 -2.784 -18.455 0.515 1.00 0.00 C ATOM 249 O LYS A 14 -3.464 -19.130 1.296 1.00 0.00 O ATOM 250 CB LYS A 14 -1.789 -20.622 -0.227 1.00 0.00 C ATOM 251 CG LYS A 14 -0.923 -21.318 -1.275 1.00 0.00 C ATOM 252 CD LYS A 14 -1.604 -21.261 -2.638 1.00 0.00 C ATOM 253 CE LYS A 14 -1.006 -22.335 -3.539 1.00 0.00 C ATOM 254 NZ LYS A 14 0.479 -22.284 -3.473 1.00 0.00 N ATOM 0 H LYS A 14 -0.484 -18.119 -1.667 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.491 -19.039 -1.529 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.329 -20.718 0.756 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.764 -21.106 -0.171 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.054 -20.838 -1.328 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.754 -22.356 -0.987 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.677 -21.416 -2.529 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.468 -20.276 -3.085 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.359 -23.319 -3.230 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.338 -22.186 -4.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.880 -22.742 -4.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.791 -21.293 -3.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.806 -22.781 -2.620 1.00 0.00 H new ATOM 268 N ILE A 15 -2.709 -17.140 0.583 1.00 0.00 N ATOM 269 CA ILE A 15 -3.422 -16.387 1.608 1.00 0.00 C ATOM 270 C ILE A 15 -4.824 -16.030 1.146 1.00 0.00 C ATOM 271 O ILE A 15 -5.032 -15.609 0.015 1.00 0.00 O ATOM 272 CB ILE A 15 -2.647 -15.118 1.990 1.00 0.00 C ATOM 273 CG1 ILE A 15 -1.239 -15.486 2.435 1.00 0.00 C ATOM 274 CG2 ILE A 15 -3.352 -14.355 3.121 1.00 0.00 C ATOM 275 CD1 ILE A 15 -1.274 -16.561 3.524 1.00 0.00 C ATOM 0 H ILE A 15 -2.162 -16.566 -0.058 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.504 -17.021 2.490 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.603 -14.474 1.111 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.666 -15.846 1.581 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.728 -14.599 2.810 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.779 -13.461 3.369 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.352 -14.067 2.797 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.426 -14.995 4.001 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.256 -16.807 3.825 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.827 -16.188 4.386 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.764 -17.455 3.137 1.00 0.00 H new ATOM 287 N SER A 16 -5.771 -16.165 2.023 1.00 0.00 N ATOM 288 CA SER A 16 -7.129 -15.771 1.695 1.00 0.00 C ATOM 289 C SER A 16 -7.278 -14.269 1.881 1.00 0.00 C ATOM 290 O SER A 16 -6.712 -13.706 2.798 1.00 0.00 O ATOM 291 CB SER A 16 -8.143 -16.523 2.563 1.00 0.00 C ATOM 292 OG SER A 16 -7.754 -16.459 3.935 1.00 0.00 O ATOM 0 H SER A 16 -5.643 -16.539 2.963 1.00 0.00 H new ATOM 0 HA SER A 16 -7.329 -16.027 0.655 1.00 0.00 H new ATOM 0 HB2 SER A 16 -9.135 -16.089 2.437 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.208 -17.563 2.243 1.00 0.00 H new ATOM 0 HG SER A 16 -6.965 -17.023 4.078 1.00 0.00 H new ATOM 298 N GLN A 17 -8.053 -13.623 1.043 1.00 0.00 N ATOM 299 CA GLN A 17 -8.249 -12.195 1.199 1.00 0.00 C ATOM 300 C GLN A 17 -8.915 -11.921 2.544 1.00 0.00 C ATOM 301 O GLN A 17 -8.684 -10.889 3.174 1.00 0.00 O ATOM 302 CB GLN A 17 -9.089 -11.644 0.046 1.00 0.00 C ATOM 303 CG GLN A 17 -8.411 -12.020 -1.280 1.00 0.00 C ATOM 304 CD GLN A 17 -8.379 -10.824 -2.207 1.00 0.00 C ATOM 305 OE1 GLN A 17 -9.295 -10.627 -3.007 1.00 0.00 O ATOM 306 NE2 GLN A 17 -7.389 -10.002 -2.125 1.00 0.00 N ATOM 0 H GLN A 17 -8.550 -14.049 0.261 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.283 -11.690 1.176 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -10.098 -12.054 0.084 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -9.181 -10.561 0.130 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -7.396 -12.371 -1.092 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -8.950 -12.841 -1.752 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -6.636 -10.175 -1.459 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -7.359 -9.179 -2.726 1.00 0.00 H new ATOM 315 N SER A 18 -9.735 -12.866 2.969 1.00 0.00 N ATOM 316 CA SER A 18 -10.426 -12.785 4.239 1.00 0.00 C ATOM 317 C SER A 18 -9.471 -12.804 5.443 1.00 0.00 C ATOM 318 O SER A 18 -9.741 -12.142 6.451 1.00 0.00 O ATOM 319 CB SER A 18 -11.442 -13.921 4.363 1.00 0.00 C ATOM 320 OG SER A 18 -12.307 -13.914 3.219 1.00 0.00 O ATOM 0 H SER A 18 -9.940 -13.713 2.439 1.00 0.00 H new ATOM 0 HA SER A 18 -10.940 -11.824 4.254 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.926 -14.878 4.437 1.00 0.00 H new ATOM 0 HB3 SER A 18 -12.027 -13.803 5.275 1.00 0.00 H new ATOM 0 HG SER A 18 -12.958 -14.643 3.296 1.00 0.00 H new ATOM 326 N GLU A 19 -8.452 -13.675 5.411 1.00 0.00 N ATOM 327 CA GLU A 19 -7.623 -13.868 6.605 1.00 0.00 C ATOM 328 C GLU A 19 -6.790 -12.641 6.965 1.00 0.00 C ATOM 329 O GLU A 19 -6.930 -12.092 8.061 1.00 0.00 O ATOM 330 CB GLU A 19 -6.759 -15.144 6.515 1.00 0.00 C ATOM 331 CG GLU A 19 -5.652 -14.994 5.471 1.00 0.00 C ATOM 332 CD GLU A 19 -4.956 -16.321 5.271 1.00 0.00 C ATOM 333 OE1 GLU A 19 -4.106 -16.647 6.066 1.00 0.00 O ATOM 334 OE2 GLU A 19 -5.295 -17.007 4.332 1.00 0.00 O ATOM 0 H GLU A 19 -8.190 -14.238 4.602 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.322 -14.009 7.429 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.317 -15.356 7.489 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.390 -15.995 6.259 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.074 -14.648 4.527 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.934 -14.241 5.795 1.00 0.00 H new ATOM 341 N LEU A 20 -5.961 -12.168 6.046 1.00 0.00 N ATOM 342 CA LEU A 20 -5.124 -11.026 6.365 1.00 0.00 C ATOM 343 C LEU A 20 -5.954 -9.824 6.743 1.00 0.00 C ATOM 344 O LEU A 20 -5.654 -9.141 7.709 1.00 0.00 O ATOM 345 CB LEU A 20 -4.028 -10.709 5.299 1.00 0.00 C ATOM 346 CG LEU A 20 -4.599 -10.345 3.902 1.00 0.00 C ATOM 347 CD1 LEU A 20 -5.482 -11.457 3.366 1.00 0.00 C ATOM 348 CD2 LEU A 20 -5.377 -9.024 3.932 1.00 0.00 C ATOM 0 H LEU A 20 -5.852 -12.544 5.104 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.550 -11.314 7.246 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.415 -9.882 5.657 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.371 -11.573 5.199 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.747 -10.220 3.233 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.868 -11.175 2.387 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.899 -12.373 3.276 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -6.314 -11.622 4.050 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.760 -8.805 2.935 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -6.209 -9.108 4.631 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.715 -8.219 4.251 1.00 0.00 H new ATOM 360 N ALA A 21 -7.055 -9.628 6.049 1.00 0.00 N ATOM 361 CA ALA A 21 -7.961 -8.535 6.372 1.00 0.00 C ATOM 362 C ALA A 21 -8.388 -8.632 7.834 1.00 0.00 C ATOM 363 O ALA A 21 -8.376 -7.633 8.562 1.00 0.00 O ATOM 364 CB ALA A 21 -9.192 -8.582 5.463 1.00 0.00 C ATOM 0 H ALA A 21 -7.347 -10.205 5.261 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.444 -7.589 6.213 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.862 -7.760 5.715 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.880 -8.491 4.423 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.712 -9.529 5.604 1.00 0.00 H new ATOM 370 N ALA A 22 -8.644 -9.858 8.295 1.00 0.00 N ATOM 371 CA ALA A 22 -8.946 -10.083 9.698 1.00 0.00 C ATOM 372 C ALA A 22 -7.723 -9.774 10.538 1.00 0.00 C ATOM 373 O ALA A 22 -7.823 -9.146 11.600 1.00 0.00 O ATOM 374 CB ALA A 22 -9.390 -11.532 9.931 1.00 0.00 C ATOM 0 H ALA A 22 -8.647 -10.699 7.718 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.763 -9.423 9.990 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.611 -11.679 10.988 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.283 -11.738 9.341 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.592 -12.210 9.630 1.00 0.00 H new ATOM 380 N LEU A 23 -6.561 -10.169 10.033 1.00 0.00 N ATOM 381 CA LEU A 23 -5.296 -9.914 10.712 1.00 0.00 C ATOM 382 C LEU A 23 -5.077 -8.415 10.791 1.00 0.00 C ATOM 383 O LEU A 23 -4.631 -7.882 11.808 1.00 0.00 O ATOM 384 CB LEU A 23 -4.131 -10.558 9.955 1.00 0.00 C ATOM 385 CG LEU A 23 -4.335 -12.080 9.864 1.00 0.00 C ATOM 386 CD1 LEU A 23 -3.115 -12.745 9.229 1.00 0.00 C ATOM 387 CD2 LEU A 23 -4.612 -12.678 11.236 1.00 0.00 C ATOM 0 H LEU A 23 -6.468 -10.671 9.150 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.337 -10.346 11.712 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.058 -10.133 8.954 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.192 -10.339 10.463 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.203 -12.267 9.232 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.276 -13.822 9.172 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.965 -12.347 8.225 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.233 -12.542 9.836 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.752 -13.755 11.142 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.769 -12.478 11.897 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.514 -12.230 11.653 1.00 0.00 H new ATOM 399 N LEU A 24 -5.434 -7.736 9.715 1.00 0.00 N ATOM 400 CA LEU A 24 -5.331 -6.289 9.644 1.00 0.00 C ATOM 401 C LEU A 24 -6.386 -5.675 10.525 1.00 0.00 C ATOM 402 O LEU A 24 -6.284 -4.503 10.912 1.00 0.00 O ATOM 403 CB LEU A 24 -5.578 -5.810 8.216 1.00 0.00 C ATOM 404 CG LEU A 24 -4.529 -6.369 7.266 1.00 0.00 C ATOM 405 CD1 LEU A 24 -4.863 -5.939 5.842 1.00 0.00 C ATOM 406 CD2 LEU A 24 -3.153 -5.847 7.653 1.00 0.00 C ATOM 0 H LEU A 24 -5.802 -8.170 8.869 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.332 -5.995 9.967 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.571 -6.120 7.891 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.559 -4.721 8.185 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.524 -7.457 7.327 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.114 -6.337 5.157 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.846 -6.322 5.567 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.868 -4.851 5.782 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.406 -6.250 6.970 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.147 -4.759 7.596 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.919 -6.158 8.671 1.00 0.00 H new ATOM 418 N GLU A 25 -7.440 -6.447 10.763 1.00 0.00 N ATOM 419 CA GLU A 25 -8.580 -6.006 11.537 1.00 0.00 C ATOM 420 C GLU A 25 -9.401 -5.028 10.705 1.00 0.00 C ATOM 421 O GLU A 25 -9.953 -4.053 11.235 1.00 0.00 O ATOM 422 CB GLU A 25 -8.108 -5.354 12.843 1.00 0.00 C ATOM 423 CG GLU A 25 -7.343 -6.391 13.687 1.00 0.00 C ATOM 424 CD GLU A 25 -6.729 -5.755 14.915 1.00 0.00 C ATOM 425 OE1 GLU A 25 -6.938 -4.580 15.122 1.00 0.00 O ATOM 426 OE2 GLU A 25 -6.034 -6.443 15.624 1.00 0.00 O ATOM 0 H GLU A 25 -7.522 -7.404 10.419 1.00 0.00 H new ATOM 0 HA GLU A 25 -9.205 -6.861 11.795 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.465 -4.501 12.625 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.963 -4.974 13.402 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.021 -7.189 13.989 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -6.560 -6.849 13.082 1.00 0.00 H new ATOM 433 N VAL A 26 -9.456 -5.289 9.398 1.00 0.00 N ATOM 434 CA VAL A 26 -10.199 -4.455 8.457 1.00 0.00 C ATOM 435 C VAL A 26 -11.053 -5.316 7.538 1.00 0.00 C ATOM 436 O VAL A 26 -10.872 -6.541 7.471 1.00 0.00 O ATOM 437 CB VAL A 26 -9.250 -3.573 7.630 1.00 0.00 C ATOM 438 CG1 VAL A 26 -8.473 -2.644 8.567 1.00 0.00 C ATOM 439 CG2 VAL A 26 -8.270 -4.444 6.832 1.00 0.00 C ATOM 0 H VAL A 26 -8.987 -6.084 8.964 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.854 -3.802 9.034 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.837 -2.979 6.930 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.799 -2.018 7.982 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.172 -2.012 9.115 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.894 -3.240 9.272 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.605 -3.805 6.252 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.681 -5.052 7.519 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.827 -5.095 6.158 1.00 0.00 H new ATOM 449 N SER A 27 -11.994 -4.692 6.855 1.00 0.00 N ATOM 450 CA SER A 27 -12.886 -5.414 5.978 1.00 0.00 C ATOM 451 C SER A 27 -12.151 -5.915 4.729 1.00 0.00 C ATOM 452 O SER A 27 -11.310 -5.209 4.148 1.00 0.00 O ATOM 453 CB SER A 27 -14.062 -4.517 5.588 1.00 0.00 C ATOM 454 OG SER A 27 -13.575 -3.240 5.162 1.00 0.00 O ATOM 0 H SER A 27 -12.158 -3.686 6.893 1.00 0.00 H new ATOM 0 HA SER A 27 -13.263 -6.288 6.510 1.00 0.00 H new ATOM 0 HB2 SER A 27 -14.637 -4.983 4.788 1.00 0.00 H new ATOM 0 HB3 SER A 27 -14.736 -4.395 6.436 1.00 0.00 H new ATOM 0 HG SER A 27 -13.511 -3.224 4.184 1.00 0.00 H new ATOM 460 N ARG A 28 -12.536 -7.096 4.280 1.00 0.00 N ATOM 461 CA ARG A 28 -11.988 -7.693 3.077 1.00 0.00 C ATOM 462 C ARG A 28 -12.280 -6.816 1.870 1.00 0.00 C ATOM 463 O ARG A 28 -11.419 -6.627 1.008 1.00 0.00 O ATOM 464 CB ARG A 28 -12.559 -9.110 2.892 1.00 0.00 C ATOM 465 CG ARG A 28 -11.955 -9.792 1.657 1.00 0.00 C ATOM 466 CD ARG A 28 -12.502 -11.222 1.565 1.00 0.00 C ATOM 467 NE ARG A 28 -13.967 -11.211 1.458 1.00 0.00 N ATOM 468 CZ ARG A 28 -14.605 -11.183 0.280 1.00 0.00 C ATOM 469 NH1 ARG A 28 -13.928 -11.211 -0.828 1.00 0.00 N ATOM 470 NH2 ARG A 28 -15.904 -11.145 0.245 1.00 0.00 N ATOM 0 H ARG A 28 -13.241 -7.670 4.742 1.00 0.00 H new ATOM 0 HA ARG A 28 -10.905 -7.771 3.175 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -12.351 -9.708 3.779 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -13.643 -9.058 2.789 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -12.207 -9.233 0.756 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -10.867 -9.808 1.729 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -12.073 -11.726 0.699 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -12.201 -11.789 2.446 1.00 0.00 H new ATOM 0 HE ARG A 28 -14.521 -11.225 2.315 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -12.909 -11.254 -0.802 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -14.415 -11.190 -1.724 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -16.438 -11.136 1.114 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -16.390 -11.124 -0.652 1.00 0.00 H new ATOM 484 N GLN A 29 -13.494 -6.282 1.815 1.00 0.00 N ATOM 485 CA GLN A 29 -13.905 -5.444 0.702 1.00 0.00 C ATOM 486 C GLN A 29 -12.929 -4.304 0.510 1.00 0.00 C ATOM 487 O GLN A 29 -12.581 -3.954 -0.612 1.00 0.00 O ATOM 488 CB GLN A 29 -15.322 -4.908 0.932 1.00 0.00 C ATOM 489 CG GLN A 29 -15.340 -3.979 2.149 1.00 0.00 C ATOM 490 CD GLN A 29 -16.771 -3.606 2.505 1.00 0.00 C ATOM 491 OE1 GLN A 29 -17.718 -4.233 2.025 1.00 0.00 O ATOM 492 NE2 GLN A 29 -16.993 -2.631 3.319 1.00 0.00 N ATOM 0 H GLN A 29 -14.209 -6.416 2.530 1.00 0.00 H new ATOM 0 HA GLN A 29 -13.909 -6.049 -0.205 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -15.664 -4.369 0.048 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -16.012 -5.737 1.087 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -14.863 -4.470 2.997 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -14.764 -3.078 1.937 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.211 -2.111 3.717 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -17.951 -2.380 3.565 1.00 0.00 H new ATOM 501 N THR A 30 -12.466 -3.739 1.603 1.00 0.00 N ATOM 502 CA THR A 30 -11.497 -2.678 1.515 1.00 0.00 C ATOM 503 C THR A 30 -10.211 -3.212 0.889 1.00 0.00 C ATOM 504 O THR A 30 -9.708 -2.671 -0.097 1.00 0.00 O ATOM 505 CB THR A 30 -11.213 -2.114 2.915 1.00 0.00 C ATOM 506 OG1 THR A 30 -12.452 -1.867 3.589 1.00 0.00 O ATOM 507 CG2 THR A 30 -10.436 -0.800 2.789 1.00 0.00 C ATOM 0 H THR A 30 -12.743 -3.995 2.551 1.00 0.00 H new ATOM 0 HA THR A 30 -11.891 -1.877 0.889 1.00 0.00 H new ATOM 0 HB THR A 30 -10.624 -2.834 3.483 1.00 0.00 H new ATOM 0 HG1 THR A 30 -12.389 -2.181 4.515 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.234 -0.400 3.783 1.00 0.00 H new ATOM 0 HG22 THR A 30 -9.493 -0.983 2.273 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.027 -0.081 2.221 1.00 0.00 H new ATOM 515 N ILE A 31 -9.725 -4.320 1.423 1.00 0.00 N ATOM 516 CA ILE A 31 -8.509 -4.931 0.917 1.00 0.00 C ATOM 517 C ILE A 31 -8.682 -5.411 -0.514 1.00 0.00 C ATOM 518 O ILE A 31 -7.822 -5.164 -1.366 1.00 0.00 O ATOM 519 CB ILE A 31 -8.087 -6.095 1.827 1.00 0.00 C ATOM 520 CG1 ILE A 31 -7.667 -5.555 3.201 1.00 0.00 C ATOM 521 CG2 ILE A 31 -6.923 -6.870 1.196 1.00 0.00 C ATOM 522 CD1 ILE A 31 -6.475 -4.601 3.040 1.00 0.00 C ATOM 0 H ILE A 31 -10.154 -4.814 2.206 1.00 0.00 H new ATOM 0 HA ILE A 31 -7.724 -4.174 0.918 1.00 0.00 H new ATOM 0 HB ILE A 31 -8.934 -6.770 1.948 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -8.502 -5.033 3.668 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.398 -6.380 3.860 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -6.635 -7.692 1.852 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.233 -7.268 0.230 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -6.073 -6.201 1.057 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -6.180 -4.220 4.017 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -5.638 -5.137 2.591 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -6.760 -3.768 2.397 1.00 0.00 H new ATOM 534 N ASN A 32 -9.795 -6.065 -0.792 1.00 0.00 N ATOM 535 CA ASN A 32 -10.028 -6.570 -2.132 1.00 0.00 C ATOM 536 C ASN A 32 -10.469 -5.453 -3.053 1.00 0.00 C ATOM 537 O ASN A 32 -10.487 -5.616 -4.268 1.00 0.00 O ATOM 538 CB ASN A 32 -11.028 -7.740 -2.137 1.00 0.00 C ATOM 539 CG ASN A 32 -12.464 -7.278 -1.902 1.00 0.00 C ATOM 540 OD1 ASN A 32 -12.834 -6.154 -2.236 1.00 0.00 O ATOM 541 ND2 ASN A 32 -13.299 -8.091 -1.345 1.00 0.00 N ATOM 0 H ASN A 32 -10.539 -6.256 -0.121 1.00 0.00 H new ATOM 0 HA ASN A 32 -9.084 -6.964 -2.509 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -10.969 -8.261 -3.092 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -10.749 -8.457 -1.365 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -14.263 -7.800 -1.183 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -12.994 -9.024 -1.067 1.00 0.00 H new ATOM 548 N GLY A 33 -10.813 -4.321 -2.471 1.00 0.00 N ATOM 549 CA GLY A 33 -11.178 -3.141 -3.238 1.00 0.00 C ATOM 550 C GLY A 33 -9.930 -2.385 -3.655 1.00 0.00 C ATOM 551 O GLY A 33 -9.801 -1.950 -4.804 1.00 0.00 O ATOM 0 H GLY A 33 -10.848 -4.191 -1.460 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.748 -3.433 -4.120 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -11.822 -2.495 -2.642 1.00 0.00 H new ATOM 555 N ILE A 34 -9.020 -2.201 -2.702 1.00 0.00 N ATOM 556 CA ILE A 34 -7.796 -1.443 -2.929 1.00 0.00 C ATOM 557 C ILE A 34 -6.915 -2.102 -3.988 1.00 0.00 C ATOM 558 O ILE A 34 -6.354 -1.419 -4.852 1.00 0.00 O ATOM 559 CB ILE A 34 -7.016 -1.260 -1.614 1.00 0.00 C ATOM 560 CG1 ILE A 34 -7.805 -0.347 -0.666 1.00 0.00 C ATOM 561 CG2 ILE A 34 -5.648 -0.618 -1.894 1.00 0.00 C ATOM 562 CD1 ILE A 34 -7.169 -0.384 0.725 1.00 0.00 C ATOM 0 H ILE A 34 -9.111 -2.572 -1.756 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.084 -0.460 -3.302 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.873 -2.239 -1.156 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.810 0.674 -1.048 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -8.844 -0.672 -0.611 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.106 -0.494 -0.957 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.075 -1.260 -2.562 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.792 0.356 -2.362 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -7.729 0.264 1.399 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.187 -1.405 1.106 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.137 -0.038 0.663 1.00 0.00 H new ATOM 574 N GLU A 35 -6.773 -3.419 -3.902 1.00 0.00 N ATOM 575 CA GLU A 35 -5.901 -4.149 -4.816 1.00 0.00 C ATOM 576 C GLU A 35 -6.189 -3.806 -6.282 1.00 0.00 C ATOM 577 O GLU A 35 -5.302 -3.870 -7.130 1.00 0.00 O ATOM 578 CB GLU A 35 -5.998 -5.659 -4.575 1.00 0.00 C ATOM 579 CG GLU A 35 -7.385 -6.163 -4.963 1.00 0.00 C ATOM 580 CD GLU A 35 -7.412 -7.673 -4.961 1.00 0.00 C ATOM 581 OE1 GLU A 35 -6.984 -8.263 -4.001 1.00 0.00 O ATOM 582 OE2 GLU A 35 -7.859 -8.224 -5.945 1.00 0.00 O ATOM 0 H GLU A 35 -7.248 -4.002 -3.212 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.878 -3.834 -4.608 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.237 -6.178 -5.158 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.802 -5.881 -3.526 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.128 -5.778 -4.265 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.652 -5.789 -5.951 1.00 0.00 H new ATOM 589 N LYS A 36 -7.427 -3.454 -6.580 1.00 0.00 N ATOM 590 CA LYS A 36 -7.795 -3.111 -7.951 1.00 0.00 C ATOM 591 C LYS A 36 -7.041 -1.881 -8.459 1.00 0.00 C ATOM 592 O LYS A 36 -6.504 -1.893 -9.574 1.00 0.00 O ATOM 593 CB LYS A 36 -9.308 -2.904 -8.068 1.00 0.00 C ATOM 594 CG LYS A 36 -9.987 -4.261 -8.243 1.00 0.00 C ATOM 595 CD LYS A 36 -10.202 -4.914 -6.878 1.00 0.00 C ATOM 596 CE LYS A 36 -10.098 -6.430 -7.007 1.00 0.00 C ATOM 597 NZ LYS A 36 -8.831 -6.812 -7.666 1.00 0.00 N ATOM 0 H LYS A 36 -8.189 -3.397 -5.904 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.505 -3.951 -8.583 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.689 -2.405 -7.177 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.535 -2.258 -8.916 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.943 -4.136 -8.751 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.374 -4.906 -8.872 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.459 -4.549 -6.169 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -11.181 -4.640 -6.484 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.153 -6.889 -6.020 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.942 -6.810 -7.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.031 -7.168 -8.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.208 -5.982 -7.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.361 -7.556 -7.111 1.00 0.00 H new ATOM 611 N ASN A 37 -6.967 -0.840 -7.631 1.00 0.00 N ATOM 612 CA ASN A 37 -6.238 0.392 -7.992 1.00 0.00 C ATOM 613 C ASN A 37 -6.457 1.506 -6.974 1.00 0.00 C ATOM 614 O ASN A 37 -5.926 2.606 -7.137 1.00 0.00 O ATOM 615 CB ASN A 37 -6.643 0.900 -9.394 1.00 0.00 C ATOM 616 CG ASN A 37 -7.756 1.941 -9.285 1.00 0.00 C ATOM 617 OD1 ASN A 37 -7.555 3.107 -9.643 1.00 0.00 O ATOM 618 ND2 ASN A 37 -8.911 1.601 -8.804 1.00 0.00 N ATOM 0 H ASN A 37 -7.399 -0.817 -6.707 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.181 0.128 -7.998 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.778 1.335 -9.894 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -6.978 0.064 -10.008 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -9.653 2.296 -8.721 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -9.077 0.639 -8.509 1.00 0.00 H new ATOM 625 N LYS A 38 -7.309 1.265 -5.998 1.00 0.00 N ATOM 626 CA LYS A 38 -7.667 2.312 -5.051 1.00 0.00 C ATOM 627 C LYS A 38 -6.434 2.801 -4.325 1.00 0.00 C ATOM 628 O LYS A 38 -5.438 2.083 -4.225 1.00 0.00 O ATOM 629 CB LYS A 38 -8.697 1.807 -4.027 1.00 0.00 C ATOM 630 CG LYS A 38 -9.640 2.953 -3.631 1.00 0.00 C ATOM 631 CD LYS A 38 -10.641 3.187 -4.773 1.00 0.00 C ATOM 632 CE LYS A 38 -11.642 4.284 -4.402 1.00 0.00 C ATOM 633 NZ LYS A 38 -12.245 3.987 -3.081 1.00 0.00 N ATOM 0 H LYS A 38 -7.764 0.366 -5.837 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.111 3.133 -5.614 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -9.270 0.982 -4.450 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.187 1.421 -3.144 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.169 2.706 -2.710 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.070 3.861 -3.437 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -10.106 3.468 -5.680 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.173 2.261 -4.991 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.141 5.252 -4.374 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.421 4.350 -5.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.280 4.056 -3.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -11.981 3.025 -2.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.897 4.671 -2.379 1.00 0.00 H new ATOM 647 N TYR A 39 -6.503 4.017 -3.815 1.00 0.00 N ATOM 648 CA TYR A 39 -5.406 4.581 -3.049 1.00 0.00 C ATOM 649 C TYR A 39 -4.930 3.556 -2.023 1.00 0.00 C ATOM 650 O TYR A 39 -5.746 2.951 -1.313 1.00 0.00 O ATOM 651 CB TYR A 39 -5.859 5.867 -2.338 1.00 0.00 C ATOM 652 CG TYR A 39 -7.362 5.866 -2.180 1.00 0.00 C ATOM 653 CD1 TYR A 39 -7.948 5.195 -1.108 1.00 0.00 C ATOM 654 CD2 TYR A 39 -8.166 6.530 -3.117 1.00 0.00 C ATOM 655 CE1 TYR A 39 -9.334 5.183 -0.965 1.00 0.00 C ATOM 656 CE2 TYR A 39 -9.552 6.522 -2.970 1.00 0.00 C ATOM 657 CZ TYR A 39 -10.138 5.847 -1.894 1.00 0.00 C ATOM 658 OH TYR A 39 -11.507 5.824 -1.759 1.00 0.00 O ATOM 0 H TYR A 39 -7.309 4.634 -3.917 1.00 0.00 H new ATOM 0 HA TYR A 39 -4.586 4.829 -3.723 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -5.382 5.940 -1.361 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -5.546 6.739 -2.911 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -7.327 4.684 -0.387 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -7.713 7.046 -3.950 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -9.787 4.660 -0.136 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -10.174 7.037 -3.687 1.00 0.00 H new ATOM 0 HH TYR A 39 -11.904 6.508 -2.338 1.00 0.00 H new ATOM 668 N ASN A 40 -3.638 3.275 -2.041 1.00 0.00 N ATOM 669 CA ASN A 40 -3.075 2.238 -1.184 1.00 0.00 C ATOM 670 C ASN A 40 -3.432 2.493 0.276 1.00 0.00 C ATOM 671 O ASN A 40 -3.783 3.616 0.647 1.00 0.00 O ATOM 672 CB ASN A 40 -1.552 2.123 -1.381 1.00 0.00 C ATOM 673 CG ASN A 40 -0.789 2.801 -0.249 1.00 0.00 C ATOM 674 OD1 ASN A 40 0.033 2.164 0.418 1.00 0.00 O ATOM 675 ND2 ASN A 40 -1.000 4.055 0.005 1.00 0.00 N ATOM 0 H ASN A 40 -2.958 3.747 -2.637 1.00 0.00 H new ATOM 0 HA ASN A 40 -3.513 1.282 -1.472 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.269 1.072 -1.433 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -1.272 2.576 -2.332 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -0.487 4.517 0.756 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -1.679 4.580 -0.546 1.00 0.00 H new ATOM 682 N PRO A 41 -3.401 1.475 1.090 1.00 0.00 N ATOM 683 CA PRO A 41 -3.805 1.580 2.518 1.00 0.00 C ATOM 684 C PRO A 41 -2.830 2.410 3.322 1.00 0.00 C ATOM 685 O PRO A 41 -1.653 2.523 2.971 1.00 0.00 O ATOM 686 CB PRO A 41 -3.814 0.130 2.998 1.00 0.00 C ATOM 687 CG PRO A 41 -2.826 -0.552 2.123 1.00 0.00 C ATOM 688 CD PRO A 41 -2.963 0.105 0.751 1.00 0.00 C ATOM 0 HA PRO A 41 -4.767 2.078 2.638 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -3.532 0.057 4.048 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -4.804 -0.315 2.902 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -1.814 -0.438 2.512 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -3.027 -1.622 2.066 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -2.019 0.105 0.206 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.692 -0.410 0.126 1.00 0.00 H new ATOM 696 N SER A 42 -3.316 2.980 4.402 1.00 0.00 N ATOM 697 CA SER A 42 -2.490 3.785 5.274 1.00 0.00 C ATOM 698 C SER A 42 -1.224 3.003 5.637 1.00 0.00 C ATOM 699 O SER A 42 -1.215 1.767 5.597 1.00 0.00 O ATOM 700 CB SER A 42 -3.286 4.143 6.530 1.00 0.00 C ATOM 701 OG SER A 42 -4.630 4.480 6.151 1.00 0.00 O ATOM 0 H SER A 42 -4.288 2.900 4.699 1.00 0.00 H new ATOM 0 HA SER A 42 -2.197 4.706 4.771 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.290 3.304 7.225 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.819 4.982 7.046 1.00 0.00 H new ATOM 0 HG SER A 42 -5.148 4.709 6.951 1.00 0.00 H new ATOM 707 N LEU A 43 -0.151 3.716 5.929 1.00 0.00 N ATOM 708 CA LEU A 43 1.140 3.082 6.157 1.00 0.00 C ATOM 709 C LEU A 43 1.052 2.100 7.307 1.00 0.00 C ATOM 710 O LEU A 43 1.496 0.960 7.185 1.00 0.00 O ATOM 711 CB LEU A 43 2.212 4.147 6.447 1.00 0.00 C ATOM 712 CG LEU A 43 3.582 3.481 6.687 1.00 0.00 C ATOM 713 CD1 LEU A 43 3.983 2.647 5.466 1.00 0.00 C ATOM 714 CD2 LEU A 43 4.640 4.565 6.926 1.00 0.00 C ATOM 0 H LEU A 43 -0.145 4.732 6.014 1.00 0.00 H new ATOM 0 HA LEU A 43 1.422 2.536 5.257 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.280 4.841 5.609 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.926 4.731 7.322 1.00 0.00 H new ATOM 0 HG LEU A 43 3.513 2.831 7.559 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.952 2.181 5.646 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.235 1.873 5.292 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.048 3.292 4.590 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.609 4.096 7.096 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.699 5.215 6.053 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.365 5.156 7.800 1.00 0.00 H new ATOM 726 N GLN A 44 0.397 2.497 8.386 1.00 0.00 N ATOM 727 CA GLN A 44 0.209 1.588 9.510 1.00 0.00 C ATOM 728 C GLN A 44 -0.463 0.317 9.015 1.00 0.00 C ATOM 729 O GLN A 44 -0.010 -0.798 9.287 1.00 0.00 O ATOM 730 CB GLN A 44 -0.686 2.251 10.579 1.00 0.00 C ATOM 731 CG GLN A 44 -1.128 1.202 11.625 1.00 0.00 C ATOM 732 CD GLN A 44 -2.632 0.909 11.517 1.00 0.00 C ATOM 733 OE1 GLN A 44 -3.251 0.482 12.491 1.00 0.00 O ATOM 734 NE2 GLN A 44 -3.255 1.094 10.395 1.00 0.00 N ATOM 0 H GLN A 44 -0.008 3.425 8.509 1.00 0.00 H new ATOM 0 HA GLN A 44 1.178 1.352 9.949 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -0.143 3.059 11.069 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -1.561 2.696 10.106 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.564 0.280 11.480 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -0.896 1.564 12.627 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.749 1.448 9.583 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -4.251 0.886 10.324 1.00 0.00 H new ATOM 743 N LEU A 45 -1.525 0.497 8.256 1.00 0.00 N ATOM 744 CA LEU A 45 -2.252 -0.625 7.701 1.00 0.00 C ATOM 745 C LEU A 45 -1.344 -1.403 6.751 1.00 0.00 C ATOM 746 O LEU A 45 -1.240 -2.628 6.836 1.00 0.00 O ATOM 747 CB LEU A 45 -3.515 -0.118 6.976 1.00 0.00 C ATOM 748 CG LEU A 45 -4.576 -1.235 6.856 1.00 0.00 C ATOM 749 CD1 LEU A 45 -4.081 -2.355 5.944 1.00 0.00 C ATOM 750 CD2 LEU A 45 -4.906 -1.808 8.245 1.00 0.00 C ATOM 0 H LEU A 45 -1.904 1.411 8.010 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.565 -1.296 8.501 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.934 0.729 7.519 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.248 0.242 5.982 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.477 -0.801 6.422 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.843 -3.131 5.874 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.879 -1.953 4.951 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.166 -2.782 6.355 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.655 -2.594 8.146 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.002 -2.222 8.692 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.295 -1.014 8.883 1.00 0.00 H new ATOM 762 N ALA A 46 -0.612 -0.675 5.920 1.00 0.00 N ATOM 763 CA ALA A 46 0.335 -1.294 4.997 1.00 0.00 C ATOM 764 C ALA A 46 1.408 -2.065 5.761 1.00 0.00 C ATOM 765 O ALA A 46 1.741 -3.202 5.408 1.00 0.00 O ATOM 766 CB ALA A 46 0.985 -0.235 4.094 1.00 0.00 C ATOM 0 H ALA A 46 -0.654 0.343 5.864 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.215 -1.995 4.369 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.687 -0.718 3.414 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.213 0.274 3.517 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.517 0.491 4.709 1.00 0.00 H new ATOM 772 N LEU A 47 1.888 -1.479 6.849 1.00 0.00 N ATOM 773 CA LEU A 47 2.877 -2.148 7.685 1.00 0.00 C ATOM 774 C LEU A 47 2.285 -3.412 8.278 1.00 0.00 C ATOM 775 O LEU A 47 2.937 -4.463 8.301 1.00 0.00 O ATOM 776 CB LEU A 47 3.383 -1.231 8.804 1.00 0.00 C ATOM 777 CG LEU A 47 4.218 -0.091 8.205 1.00 0.00 C ATOM 778 CD1 LEU A 47 4.599 0.898 9.303 1.00 0.00 C ATOM 779 CD2 LEU A 47 5.487 -0.655 7.558 1.00 0.00 C ATOM 0 H LEU A 47 1.613 -0.551 7.172 1.00 0.00 H new ATOM 0 HA LEU A 47 3.728 -2.406 7.054 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.540 -0.822 9.361 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.985 -1.802 9.511 1.00 0.00 H new ATOM 0 HG LEU A 47 3.628 0.421 7.445 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.192 1.706 8.875 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.695 1.309 9.752 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.183 0.386 10.068 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.073 0.161 7.136 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.079 -1.175 8.311 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.213 -1.352 6.766 1.00 0.00 H new ATOM 791 N LYS A 48 1.031 -3.335 8.698 1.00 0.00 N ATOM 792 CA LYS A 48 0.346 -4.512 9.203 1.00 0.00 C ATOM 793 C LYS A 48 0.254 -5.554 8.109 1.00 0.00 C ATOM 794 O LYS A 48 0.476 -6.744 8.346 1.00 0.00 O ATOM 795 CB LYS A 48 -1.057 -4.159 9.699 1.00 0.00 C ATOM 796 CG LYS A 48 -0.954 -3.319 10.978 1.00 0.00 C ATOM 797 CD LYS A 48 -2.358 -2.947 11.471 1.00 0.00 C ATOM 798 CE LYS A 48 -2.243 -2.149 12.777 1.00 0.00 C ATOM 799 NZ LYS A 48 -3.591 -1.741 13.241 1.00 0.00 N ATOM 0 H LYS A 48 0.474 -2.481 8.699 1.00 0.00 H new ATOM 0 HA LYS A 48 0.916 -4.909 10.043 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.597 -3.605 8.931 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.624 -5.069 9.894 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.424 -3.878 11.749 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.375 -2.416 10.785 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.877 -2.357 10.715 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.950 -3.848 11.633 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.754 -2.754 13.541 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.621 -1.268 12.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.687 -1.950 14.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.718 -0.721 13.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.315 -2.265 12.709 1.00 0.00 H new ATOM 813 N ILE A 49 -0.050 -5.108 6.898 1.00 0.00 N ATOM 814 CA ILE A 49 -0.137 -6.026 5.786 1.00 0.00 C ATOM 815 C ILE A 49 1.212 -6.657 5.550 1.00 0.00 C ATOM 816 O ILE A 49 1.321 -7.874 5.460 1.00 0.00 O ATOM 817 CB ILE A 49 -0.615 -5.296 4.525 1.00 0.00 C ATOM 818 CG1 ILE A 49 -2.047 -4.829 4.744 1.00 0.00 C ATOM 819 CG2 ILE A 49 -0.589 -6.247 3.317 1.00 0.00 C ATOM 820 CD1 ILE A 49 -2.484 -3.945 3.582 1.00 0.00 C ATOM 0 H ILE A 49 -0.237 -4.132 6.669 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.861 -6.806 6.021 1.00 0.00 H new ATOM 0 HB ILE A 49 0.043 -4.449 4.331 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.711 -5.689 4.828 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.120 -4.277 5.681 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.931 -5.716 2.429 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.428 -6.605 3.157 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.246 -7.096 3.508 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -3.510 -3.613 3.743 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.828 -3.077 3.518 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.428 -4.512 2.653 1.00 0.00 H new ATOM 832 N ALA A 50 2.252 -5.840 5.563 1.00 0.00 N ATOM 833 CA ALA A 50 3.591 -6.363 5.398 1.00 0.00 C ATOM 834 C ALA A 50 3.885 -7.384 6.479 1.00 0.00 C ATOM 835 O ALA A 50 4.310 -8.499 6.184 1.00 0.00 O ATOM 836 CB ALA A 50 4.629 -5.233 5.432 1.00 0.00 C ATOM 0 H ALA A 50 2.194 -4.829 5.684 1.00 0.00 H new ATOM 0 HA ALA A 50 3.654 -6.849 4.424 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.627 -5.652 5.306 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.427 -4.529 4.625 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.571 -4.715 6.389 1.00 0.00 H new ATOM 842 N TYR A 51 3.645 -6.998 7.729 1.00 0.00 N ATOM 843 CA TYR A 51 3.892 -7.888 8.859 1.00 0.00 C ATOM 844 C TYR A 51 2.996 -9.127 8.829 1.00 0.00 C ATOM 845 O TYR A 51 3.485 -10.255 8.894 1.00 0.00 O ATOM 846 CB TYR A 51 3.695 -7.121 10.178 1.00 0.00 C ATOM 847 CG TYR A 51 3.862 -8.052 11.362 1.00 0.00 C ATOM 848 CD1 TYR A 51 5.137 -8.479 11.745 1.00 0.00 C ATOM 849 CD2 TYR A 51 2.732 -8.477 12.084 1.00 0.00 C ATOM 850 CE1 TYR A 51 5.293 -9.330 12.844 1.00 0.00 C ATOM 851 CE2 TYR A 51 2.891 -9.331 13.183 1.00 0.00 C ATOM 852 CZ TYR A 51 4.170 -9.755 13.562 1.00 0.00 C ATOM 853 OH TYR A 51 4.322 -10.589 14.646 1.00 0.00 O ATOM 0 H TYR A 51 3.282 -6.080 7.984 1.00 0.00 H new ATOM 0 HA TYR A 51 4.922 -8.236 8.785 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.416 -6.307 10.243 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.703 -6.670 10.199 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.004 -8.151 11.191 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.746 -8.146 11.792 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.279 -9.659 13.138 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.026 -9.663 13.738 1.00 0.00 H new ATOM 0 HH TYR A 51 3.443 -10.787 15.032 1.00 0.00 H new ATOM 863 N TYR A 52 1.686 -8.919 8.734 1.00 0.00 N ATOM 864 CA TYR A 52 0.753 -10.045 8.743 1.00 0.00 C ATOM 865 C TYR A 52 0.836 -10.864 7.471 1.00 0.00 C ATOM 866 O TYR A 52 0.927 -12.095 7.516 1.00 0.00 O ATOM 867 CB TYR A 52 -0.684 -9.590 9.015 1.00 0.00 C ATOM 868 CG TYR A 52 -0.806 -9.171 10.462 1.00 0.00 C ATOM 869 CD1 TYR A 52 -0.715 -10.135 11.478 1.00 0.00 C ATOM 870 CD2 TYR A 52 -0.992 -7.820 10.789 1.00 0.00 C ATOM 871 CE1 TYR A 52 -0.816 -9.743 12.814 1.00 0.00 C ATOM 872 CE2 TYR A 52 -1.089 -7.431 12.127 1.00 0.00 C ATOM 873 CZ TYR A 52 -1.002 -8.392 13.138 1.00 0.00 C ATOM 874 OH TYR A 52 -1.092 -8.010 14.455 1.00 0.00 O ATOM 0 H TYR A 52 1.251 -8.000 8.651 1.00 0.00 H new ATOM 0 HA TYR A 52 1.055 -10.693 9.566 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -0.945 -8.759 8.360 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.382 -10.399 8.798 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -0.568 -11.175 11.227 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.060 -7.080 10.006 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -0.751 -10.482 13.599 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.231 -6.391 12.380 1.00 0.00 H new ATOM 0 HH TYR A 52 -1.219 -7.040 14.506 1.00 0.00 H new ATOM 884 N LEU A 53 0.876 -10.187 6.336 1.00 0.00 N ATOM 885 CA LEU A 53 1.049 -10.867 5.065 1.00 0.00 C ATOM 886 C LEU A 53 2.429 -11.505 5.022 1.00 0.00 C ATOM 887 O LEU A 53 2.632 -12.526 4.381 1.00 0.00 O ATOM 888 CB LEU A 53 0.834 -9.904 3.871 1.00 0.00 C ATOM 889 CG LEU A 53 0.497 -10.661 2.554 1.00 0.00 C ATOM 890 CD1 LEU A 53 1.744 -10.802 1.692 1.00 0.00 C ATOM 891 CD2 LEU A 53 -0.091 -12.050 2.824 1.00 0.00 C ATOM 0 H LEU A 53 0.792 -9.173 6.269 1.00 0.00 H new ATOM 0 HA LEU A 53 0.293 -11.647 4.976 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.026 -9.212 4.107 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.733 -9.306 3.723 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.254 -10.071 2.028 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.493 -11.333 0.774 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.129 -9.813 1.445 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.503 -11.361 2.239 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.311 -12.542 1.877 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.628 -12.647 3.385 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.009 -11.950 3.403 1.00 0.00 H new ATOM 903 N ASN A 54 3.399 -10.840 5.647 1.00 0.00 N ATOM 904 CA ASN A 54 4.791 -11.271 5.639 1.00 0.00 C ATOM 905 C ASN A 54 5.363 -11.163 4.244 1.00 0.00 C ATOM 906 O ASN A 54 5.512 -12.161 3.519 1.00 0.00 O ATOM 907 CB ASN A 54 4.960 -12.683 6.211 1.00 0.00 C ATOM 908 CG ASN A 54 5.715 -12.611 7.526 1.00 0.00 C ATOM 909 OD1 ASN A 54 6.844 -13.091 7.624 1.00 0.00 O ATOM 910 ND2 ASN A 54 5.176 -12.019 8.538 1.00 0.00 N ATOM 0 H ASN A 54 3.238 -9.983 6.175 1.00 0.00 H new ATOM 0 HA ASN A 54 5.352 -10.604 6.294 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.984 -13.144 6.365 1.00 0.00 H new ATOM 0 HB3 ASN A 54 5.501 -13.311 5.503 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.686 -11.949 9.419 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.240 -11.621 8.457 1.00 0.00 H new ATOM 917 N THR A 55 5.547 -9.933 3.824 1.00 0.00 N ATOM 918 CA THR A 55 6.027 -9.602 2.499 1.00 0.00 C ATOM 919 C THR A 55 6.452 -8.141 2.490 1.00 0.00 C ATOM 920 O THR A 55 5.859 -7.320 3.201 1.00 0.00 O ATOM 921 CB THR A 55 4.909 -9.853 1.471 1.00 0.00 C ATOM 922 OG1 THR A 55 4.713 -11.256 1.318 1.00 0.00 O ATOM 923 CG2 THR A 55 5.259 -9.234 0.110 1.00 0.00 C ATOM 0 H THR A 55 5.364 -9.115 4.406 1.00 0.00 H new ATOM 0 HA THR A 55 6.881 -10.226 2.234 1.00 0.00 H new ATOM 0 HB THR A 55 3.995 -9.385 1.836 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.306 -11.738 1.931 1.00 0.00 H new ATOM 0 HG21 THR A 55 4.451 -9.427 -0.596 1.00 0.00 H new ATOM 0 HG22 THR A 55 5.393 -8.158 0.223 1.00 0.00 H new ATOM 0 HG23 THR A 55 6.182 -9.677 -0.265 1.00 0.00 H new ATOM 931 N PRO A 56 7.449 -7.786 1.716 1.00 0.00 N ATOM 932 CA PRO A 56 7.916 -6.379 1.642 1.00 0.00 C ATOM 933 C PRO A 56 6.783 -5.457 1.206 1.00 0.00 C ATOM 934 O PRO A 56 5.921 -5.844 0.406 1.00 0.00 O ATOM 935 CB PRO A 56 9.027 -6.421 0.581 1.00 0.00 C ATOM 936 CG PRO A 56 9.495 -7.838 0.582 1.00 0.00 C ATOM 937 CD PRO A 56 8.246 -8.673 0.834 1.00 0.00 C ATOM 0 HA PRO A 56 8.263 -5.995 2.602 1.00 0.00 H new ATOM 0 HB2 PRO A 56 8.650 -6.129 -0.399 1.00 0.00 H new ATOM 0 HB3 PRO A 56 9.838 -5.736 0.828 1.00 0.00 H new ATOM 0 HG2 PRO A 56 9.958 -8.100 -0.369 1.00 0.00 H new ATOM 0 HG3 PRO A 56 10.243 -8.005 1.357 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.719 -8.907 -0.091 1.00 0.00 H new ATOM 0 HD3 PRO A 56 8.481 -9.622 1.316 1.00 0.00 H new ATOM 945 N LEU A 57 6.791 -4.254 1.733 1.00 0.00 N ATOM 946 CA LEU A 57 5.758 -3.274 1.438 1.00 0.00 C ATOM 947 C LEU A 57 5.750 -3.026 -0.062 1.00 0.00 C ATOM 948 O LEU A 57 4.694 -2.966 -0.696 1.00 0.00 O ATOM 949 CB LEU A 57 6.087 -1.960 2.183 1.00 0.00 C ATOM 950 CG LEU A 57 4.818 -1.113 2.438 1.00 0.00 C ATOM 951 CD1 LEU A 57 4.002 -0.949 1.154 1.00 0.00 C ATOM 952 CD2 LEU A 57 3.954 -1.777 3.517 1.00 0.00 C ATOM 0 H LEU A 57 7.509 -3.923 2.377 1.00 0.00 H new ATOM 0 HA LEU A 57 4.781 -3.635 1.759 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.567 -2.191 3.134 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.801 -1.379 1.599 1.00 0.00 H new ATOM 0 HG LEU A 57 5.130 -0.125 2.778 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.115 -0.350 1.360 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.609 -0.450 0.398 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.700 -1.930 0.787 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.062 -1.175 3.691 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.660 -2.773 3.186 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.525 -1.856 4.442 1.00 0.00 H new ATOM 964 N GLU A 58 6.941 -2.964 -0.628 1.00 0.00 N ATOM 965 CA GLU A 58 7.114 -2.738 -2.053 1.00 0.00 C ATOM 966 C GLU A 58 6.370 -3.820 -2.859 1.00 0.00 C ATOM 967 O GLU A 58 5.693 -3.517 -3.847 1.00 0.00 O ATOM 968 CB GLU A 58 8.615 -2.805 -2.376 1.00 0.00 C ATOM 969 CG GLU A 58 9.375 -1.700 -1.611 1.00 0.00 C ATOM 970 CD GLU A 58 9.012 -0.330 -2.133 1.00 0.00 C ATOM 971 OE1 GLU A 58 9.306 -0.059 -3.276 1.00 0.00 O ATOM 972 OE2 GLU A 58 8.477 0.449 -1.383 1.00 0.00 O ATOM 0 H GLU A 58 7.816 -3.069 -0.114 1.00 0.00 H new ATOM 0 HA GLU A 58 6.708 -1.762 -2.321 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.010 -3.784 -2.103 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.769 -2.687 -3.449 1.00 0.00 H new ATOM 0 HG2 GLU A 58 9.140 -1.762 -0.548 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.449 -1.858 -1.710 1.00 0.00 H new ATOM 979 N ASP A 59 6.492 -5.079 -2.429 1.00 0.00 N ATOM 980 CA ASP A 59 5.816 -6.186 -3.115 1.00 0.00 C ATOM 981 C ASP A 59 4.309 -6.073 -3.004 1.00 0.00 C ATOM 982 O ASP A 59 3.593 -6.242 -3.986 1.00 0.00 O ATOM 983 CB ASP A 59 6.273 -7.551 -2.570 1.00 0.00 C ATOM 984 CG ASP A 59 7.528 -8.018 -3.269 1.00 0.00 C ATOM 985 OD1 ASP A 59 8.598 -7.650 -2.837 1.00 0.00 O ATOM 986 OD2 ASP A 59 7.408 -8.755 -4.233 1.00 0.00 O ATOM 0 H ASP A 59 7.046 -5.356 -1.619 1.00 0.00 H new ATOM 0 HA ASP A 59 6.094 -6.118 -4.167 1.00 0.00 H new ATOM 0 HB2 ASP A 59 6.455 -7.476 -1.498 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.480 -8.286 -2.708 1.00 0.00 H new ATOM 991 N ILE A 60 3.818 -5.822 -1.807 1.00 0.00 N ATOM 992 CA ILE A 60 2.379 -5.742 -1.615 1.00 0.00 C ATOM 993 C ILE A 60 1.794 -4.495 -2.265 1.00 0.00 C ATOM 994 O ILE A 60 0.727 -4.553 -2.898 1.00 0.00 O ATOM 995 CB ILE A 60 2.007 -5.832 -0.122 1.00 0.00 C ATOM 996 CG1 ILE A 60 2.722 -4.736 0.669 1.00 0.00 C ATOM 997 CG2 ILE A 60 2.409 -7.201 0.441 1.00 0.00 C ATOM 998 CD1 ILE A 60 2.250 -4.771 2.126 1.00 0.00 C ATOM 0 H ILE A 60 4.378 -5.672 -0.967 1.00 0.00 H new ATOM 0 HA ILE A 60 1.935 -6.603 -2.115 1.00 0.00 H new ATOM 0 HB ILE A 60 0.929 -5.702 -0.028 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.801 -4.882 0.621 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.513 -3.760 0.231 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.141 -7.253 1.496 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.887 -7.987 -0.105 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.485 -7.337 0.332 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.758 -3.990 2.692 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.174 -4.604 2.164 1.00 0.00 H new ATOM 0 HD13 ILE A 60 2.482 -5.744 2.560 1.00 0.00 H new ATOM 1010 N PHE A 61 2.482 -3.372 -2.108 1.00 0.00 N ATOM 1011 CA PHE A 61 2.027 -2.118 -2.687 1.00 0.00 C ATOM 1012 C PHE A 61 3.091 -1.484 -3.571 1.00 0.00 C ATOM 1013 O PHE A 61 4.041 -0.881 -3.072 1.00 0.00 O ATOM 1014 CB PHE A 61 1.575 -1.152 -1.586 1.00 0.00 C ATOM 1015 CG PHE A 61 0.412 -1.775 -0.838 1.00 0.00 C ATOM 1016 CD1 PHE A 61 -0.771 -2.047 -1.519 1.00 0.00 C ATOM 1017 CD2 PHE A 61 0.525 -2.100 0.517 1.00 0.00 C ATOM 1018 CE1 PHE A 61 -1.846 -2.635 -0.856 1.00 0.00 C ATOM 1019 CE2 PHE A 61 -0.553 -2.694 1.183 1.00 0.00 C ATOM 1020 CZ PHE A 61 -1.741 -2.959 0.491 1.00 0.00 C ATOM 0 H PHE A 61 3.355 -3.305 -1.585 1.00 0.00 H new ATOM 0 HA PHE A 61 1.172 -2.338 -3.326 1.00 0.00 H new ATOM 0 HB2 PHE A 61 2.398 -0.948 -0.901 1.00 0.00 H new ATOM 0 HB3 PHE A 61 1.277 -0.198 -2.020 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -0.856 -1.801 -2.567 1.00 0.00 H new ATOM 0 HD2 PHE A 61 1.442 -1.893 1.049 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.762 -2.839 -1.390 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.469 -2.948 2.229 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.575 -3.415 1.004 1.00 0.00 H new