USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 521 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 Single : A 10 LYS NZ :NH3+ -159:sc= 0.654 (180deg=0.372) USER MOD Single : A 11 MET CE :methyl 137:sc= -2.65! (180deg=-5.02!) USER MOD Single : A 20 TYR OH : rot 180:sc= -0.343 USER MOD Single : A 21 SER OG : rot 139:sc= 0.687 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot -23:sc= 0.794 USER MOD Single : A 47 GLN : amide:sc=-0.00789 K(o=-0.0079,f=-0.84) USER MOD Single : A 61 TYR OH : rot 73:sc= 0.115 USER MOD Single : A 64 LYS NZ :NH3+ -160:sc= -0.0144 (180deg=-0.286) USER MOD Single : A 67 MET CE :methyl -120:sc= -1.89 (180deg=-4.94!) USER MOD Single : A 72 HIS : no HD1:sc= -2.32 X(o=-2.3,f=-2.4) USER MOD Single : A 73 SER OG : rot 180:sc= -0.23 USER MOD Single : A 74 HIS : no HD1:sc= -7.81! C(o=-7.8!,f=-8.1!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 62 N LEU A 8 13.868 -2.783 2.006 1.00 0.00 N ATOM 63 CA LEU A 8 13.015 -1.609 2.078 1.00 0.00 C ATOM 64 C LEU A 8 11.790 -1.821 1.186 1.00 0.00 C ATOM 65 O LEU A 8 10.657 -1.615 1.622 1.00 0.00 O ATOM 66 CB LEU A 8 13.811 -0.348 1.740 1.00 0.00 C ATOM 67 CG LEU A 8 14.303 0.475 2.933 1.00 0.00 C ATOM 68 CD1 LEU A 8 15.217 1.613 2.475 1.00 0.00 C ATOM 69 CD2 LEU A 8 13.128 0.984 3.770 1.00 0.00 C ATOM 0 HA LEU A 8 12.649 -1.464 3.095 1.00 0.00 H new ATOM 0 HB2 LEU A 8 14.675 -0.637 1.142 1.00 0.00 H new ATOM 0 HB3 LEU A 8 13.190 0.292 1.113 1.00 0.00 H new ATOM 0 HG LEU A 8 14.897 -0.176 3.575 1.00 0.00 H new ATOM 0 HD11 LEU A 8 15.552 2.182 3.342 1.00 0.00 H new ATOM 0 HD12 LEU A 8 16.082 1.199 1.956 1.00 0.00 H new ATOM 0 HD13 LEU A 8 14.669 2.270 1.800 1.00 0.00 H new ATOM 0 HD21 LEU A 8 13.505 1.566 4.611 1.00 0.00 H new ATOM 0 HD22 LEU A 8 12.487 1.613 3.152 1.00 0.00 H new ATOM 0 HD23 LEU A 8 12.553 0.137 4.144 1.00 0.00 H new ATOM 80 N ARG A 9 12.056 -2.228 -0.046 1.00 0.00 N ATOM 81 CA ARG A 9 10.990 -2.469 -1.003 1.00 0.00 C ATOM 82 C ARG A 9 10.101 -3.622 -0.528 1.00 0.00 C ATOM 83 O ARG A 9 8.883 -3.477 -0.444 1.00 0.00 O ATOM 84 CB ARG A 9 11.554 -2.805 -2.385 1.00 0.00 C ATOM 85 CG ARG A 9 11.158 -1.742 -3.411 1.00 0.00 C ATOM 86 CD ARG A 9 12.353 -0.860 -3.778 1.00 0.00 C ATOM 87 NE ARG A 9 13.274 -1.601 -4.668 1.00 0.00 N ATOM 88 CZ ARG A 9 14.391 -2.213 -4.251 1.00 0.00 C ATOM 89 NH1 ARG A 9 14.732 -2.177 -2.956 1.00 0.00 N ATOM 90 NH2 ARG A 9 15.168 -2.862 -5.130 1.00 0.00 N ATOM 0 H ARG A 9 12.996 -2.397 -0.404 1.00 0.00 H new ATOM 0 HA ARG A 9 10.399 -1.556 -1.077 1.00 0.00 H new ATOM 0 HB2 ARG A 9 12.640 -2.877 -2.331 1.00 0.00 H new ATOM 0 HB3 ARG A 9 11.186 -3.780 -2.705 1.00 0.00 H new ATOM 0 HG2 ARG A 9 10.769 -2.224 -4.308 1.00 0.00 H new ATOM 0 HG3 ARG A 9 10.356 -1.124 -3.008 1.00 0.00 H new ATOM 0 HD2 ARG A 9 12.007 0.048 -4.273 1.00 0.00 H new ATOM 0 HD3 ARG A 9 12.878 -0.550 -2.874 1.00 0.00 H new ATOM 0 HE ARG A 9 13.044 -1.649 -5.661 1.00 0.00 H new ATOM 0 HH11 ARG A 9 14.141 -1.684 -2.287 1.00 0.00 H new ATOM 0 HH12 ARG A 9 15.582 -2.643 -2.639 1.00 0.00 H new ATOM 0 HH21 ARG A 9 14.909 -2.890 -6.116 1.00 0.00 H new ATOM 0 HH22 ARG A 9 16.018 -3.328 -4.813 1.00 0.00 H new ATOM 101 N LYS A 10 10.747 -4.740 -0.232 1.00 0.00 N ATOM 102 CA LYS A 10 10.032 -5.917 0.231 1.00 0.00 C ATOM 103 C LYS A 10 9.288 -5.579 1.525 1.00 0.00 C ATOM 104 O LYS A 10 8.320 -6.249 1.881 1.00 0.00 O ATOM 105 CB LYS A 10 10.985 -7.106 0.362 1.00 0.00 C ATOM 106 CG LYS A 10 10.306 -8.276 1.079 1.00 0.00 C ATOM 107 CD LYS A 10 9.025 -8.693 0.356 1.00 0.00 C ATOM 108 CE LYS A 10 9.345 -9.460 -0.929 1.00 0.00 C ATOM 109 NZ LYS A 10 8.104 -9.981 -1.545 1.00 0.00 N ATOM 0 H LYS A 10 11.758 -4.856 -0.304 1.00 0.00 H new ATOM 0 HA LYS A 10 9.282 -6.219 -0.500 1.00 0.00 H new ATOM 0 HB2 LYS A 10 11.315 -7.423 -0.627 1.00 0.00 H new ATOM 0 HB3 LYS A 10 11.875 -6.804 0.913 1.00 0.00 H new ATOM 0 HG2 LYS A 10 10.991 -9.122 1.130 1.00 0.00 H new ATOM 0 HG3 LYS A 10 10.073 -7.992 2.105 1.00 0.00 H new ATOM 0 HD2 LYS A 10 8.418 -9.315 1.014 1.00 0.00 H new ATOM 0 HD3 LYS A 10 8.433 -7.809 0.118 1.00 0.00 H new ATOM 0 HE2 LYS A 10 9.859 -8.805 -1.632 1.00 0.00 H new ATOM 0 HE3 LYS A 10 10.022 -10.285 -0.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 8.337 -10.769 -2.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 7.461 -10.317 -0.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 7.641 -9.224 -2.087 1.00 0.00 H new ATOM 119 N MET A 11 9.768 -4.541 2.192 1.00 0.00 N ATOM 120 CA MET A 11 9.160 -4.107 3.439 1.00 0.00 C ATOM 121 C MET A 11 7.840 -3.377 3.181 1.00 0.00 C ATOM 122 O MET A 11 6.830 -3.674 3.815 1.00 0.00 O ATOM 123 CB MET A 11 10.123 -3.174 4.178 1.00 0.00 C ATOM 124 CG MET A 11 11.013 -3.958 5.145 1.00 0.00 C ATOM 125 SD MET A 11 10.916 -3.246 6.779 1.00 0.00 S ATOM 126 CE MET A 11 11.759 -1.699 6.492 1.00 0.00 C ATOM 0 H MET A 11 10.571 -3.987 1.893 1.00 0.00 H new ATOM 0 HA MET A 11 8.954 -4.988 4.047 1.00 0.00 H new ATOM 0 HB2 MET A 11 10.744 -2.642 3.457 1.00 0.00 H new ATOM 0 HB3 MET A 11 9.557 -2.422 4.728 1.00 0.00 H new ATOM 0 HG2 MET A 11 10.700 -5.002 5.175 1.00 0.00 H new ATOM 0 HG3 MET A 11 12.045 -3.945 4.794 1.00 0.00 H new ATOM 0 HE1 MET A 11 11.217 -0.892 6.986 1.00 0.00 H new ATOM 0 HE2 MET A 11 12.771 -1.756 6.894 1.00 0.00 H new ATOM 0 HE3 MET A 11 11.805 -1.503 5.421 1.00 0.00 H new ATOM 134 N VAL A 12 7.893 -2.438 2.249 1.00 0.00 N ATOM 135 CA VAL A 12 6.714 -1.664 1.898 1.00 0.00 C ATOM 136 C VAL A 12 5.835 -2.482 0.950 1.00 0.00 C ATOM 137 O VAL A 12 4.661 -2.169 0.761 1.00 0.00 O ATOM 138 CB VAL A 12 7.130 -0.313 1.313 1.00 0.00 C ATOM 139 CG1 VAL A 12 8.286 -0.476 0.323 1.00 0.00 C ATOM 140 CG2 VAL A 12 5.940 0.388 0.654 1.00 0.00 C ATOM 0 H VAL A 12 8.734 -2.195 1.726 1.00 0.00 H new ATOM 0 HA VAL A 12 6.120 -1.449 2.786 1.00 0.00 H new ATOM 0 HB VAL A 12 7.478 0.315 2.134 1.00 0.00 H new ATOM 0 HG11 VAL A 12 8.562 0.499 -0.078 1.00 0.00 H new ATOM 0 HG12 VAL A 12 9.143 -0.914 0.834 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.977 -1.129 -0.493 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.262 1.346 0.246 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.550 -0.236 -0.150 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.159 0.554 1.396 1.00 0.00 H new ATOM 150 N GLU A 13 6.438 -3.514 0.379 1.00 0.00 N ATOM 151 CA GLU A 13 5.726 -4.380 -0.545 1.00 0.00 C ATOM 152 C GLU A 13 4.490 -4.978 0.133 1.00 0.00 C ATOM 153 O GLU A 13 3.382 -4.877 -0.390 1.00 0.00 O ATOM 154 CB GLU A 13 6.642 -5.481 -1.083 1.00 0.00 C ATOM 155 CG GLU A 13 7.288 -5.059 -2.405 1.00 0.00 C ATOM 156 CD GLU A 13 8.059 -6.221 -3.034 1.00 0.00 C ATOM 157 OE1 GLU A 13 7.973 -7.332 -2.467 1.00 0.00 O ATOM 158 OE2 GLU A 13 8.715 -5.973 -4.068 1.00 0.00 O ATOM 0 H GLU A 13 7.412 -3.770 0.539 1.00 0.00 H new ATOM 0 HA GLU A 13 5.397 -3.780 -1.394 1.00 0.00 H new ATOM 0 HB2 GLU A 13 7.417 -5.704 -0.350 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.069 -6.396 -1.230 1.00 0.00 H new ATOM 0 HG2 GLU A 13 6.519 -4.712 -3.095 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.963 -4.221 -2.233 1.00 0.00 H new ATOM 163 N GLU A 14 4.724 -5.587 1.286 1.00 0.00 N ATOM 164 CA GLU A 14 3.645 -6.200 2.041 1.00 0.00 C ATOM 165 C GLU A 14 2.691 -5.128 2.570 1.00 0.00 C ATOM 166 O GLU A 14 1.487 -5.359 2.672 1.00 0.00 O ATOM 167 CB GLU A 14 4.193 -7.059 3.183 1.00 0.00 C ATOM 168 CG GLU A 14 4.620 -6.189 4.366 1.00 0.00 C ATOM 169 CD GLU A 14 5.666 -6.904 5.223 1.00 0.00 C ATOM 170 OE1 GLU A 14 6.612 -7.455 4.620 1.00 0.00 O ATOM 171 OE2 GLU A 14 5.498 -6.882 6.461 1.00 0.00 O ATOM 0 H GLU A 14 5.645 -5.669 1.716 1.00 0.00 H new ATOM 0 HA GLU A 14 3.088 -6.856 1.372 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.432 -7.770 3.506 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.044 -7.641 2.829 1.00 0.00 H new ATOM 0 HG2 GLU A 14 5.027 -5.246 4.000 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.750 -5.946 4.976 1.00 0.00 H new ATOM 176 N VAL A 15 3.265 -3.979 2.894 1.00 0.00 N ATOM 177 CA VAL A 15 2.481 -2.869 3.410 1.00 0.00 C ATOM 178 C VAL A 15 1.330 -2.572 2.447 1.00 0.00 C ATOM 179 O VAL A 15 0.164 -2.749 2.794 1.00 0.00 O ATOM 180 CB VAL A 15 3.384 -1.660 3.656 1.00 0.00 C ATOM 181 CG1 VAL A 15 2.555 -0.411 3.966 1.00 0.00 C ATOM 182 CG2 VAL A 15 4.389 -1.942 4.774 1.00 0.00 C ATOM 0 H VAL A 15 4.264 -3.792 2.809 1.00 0.00 H new ATOM 0 HA VAL A 15 2.040 -3.128 4.373 1.00 0.00 H new ATOM 0 HB VAL A 15 3.946 -1.472 2.742 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.221 0.435 4.137 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.899 -0.192 3.124 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.954 -0.586 4.858 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.018 -1.065 4.927 1.00 0.00 H new ATOM 0 HG22 VAL A 15 3.854 -2.170 5.696 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.013 -2.792 4.497 1.00 0.00 H new ATOM 192 N PHE A 16 1.699 -2.123 1.256 1.00 0.00 N ATOM 193 CA PHE A 16 0.712 -1.799 0.241 1.00 0.00 C ATOM 194 C PHE A 16 -0.208 -2.991 -0.030 1.00 0.00 C ATOM 195 O PHE A 16 -1.287 -2.830 -0.599 1.00 0.00 O ATOM 196 CB PHE A 16 1.481 -1.463 -1.039 1.00 0.00 C ATOM 197 CG PHE A 16 2.076 -0.054 -1.055 1.00 0.00 C ATOM 198 CD1 PHE A 16 1.370 0.989 -0.542 1.00 0.00 C ATOM 199 CD2 PHE A 16 3.311 0.157 -1.584 1.00 0.00 C ATOM 200 CE1 PHE A 16 1.922 2.297 -0.558 1.00 0.00 C ATOM 201 CE2 PHE A 16 3.864 1.466 -1.600 1.00 0.00 C ATOM 202 CZ PHE A 16 3.157 2.507 -1.087 1.00 0.00 C ATOM 0 H PHE A 16 2.668 -1.976 0.972 1.00 0.00 H new ATOM 0 HA PHE A 16 0.094 -0.966 0.576 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.285 -2.187 -1.168 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.812 -1.574 -1.892 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.389 0.822 -0.122 1.00 0.00 H new ATOM 0 HD2 PHE A 16 3.872 -0.671 -1.992 1.00 0.00 H new ATOM 0 HE1 PHE A 16 1.361 3.125 -0.150 1.00 0.00 H new ATOM 0 HE2 PHE A 16 4.845 1.633 -2.019 1.00 0.00 H new ATOM 0 HZ PHE A 16 3.576 3.502 -1.099 1.00 0.00 H new ATOM 211 N ASP A 17 0.252 -4.160 0.390 1.00 0.00 N ATOM 212 CA ASP A 17 -0.517 -5.379 0.200 1.00 0.00 C ATOM 213 C ASP A 17 -1.499 -5.542 1.362 1.00 0.00 C ATOM 214 O ASP A 17 -2.683 -5.801 1.147 1.00 0.00 O ATOM 215 CB ASP A 17 0.395 -6.607 0.175 1.00 0.00 C ATOM 216 CG ASP A 17 0.837 -7.056 -1.220 1.00 0.00 C ATOM 217 OD1 ASP A 17 0.984 -6.163 -2.084 1.00 0.00 O ATOM 218 OD2 ASP A 17 1.016 -8.281 -1.391 1.00 0.00 O ATOM 0 H ASP A 17 1.147 -4.290 0.861 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.043 -5.302 -0.751 1.00 0.00 H new ATOM 0 HB2 ASP A 17 1.283 -6.394 0.770 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -0.122 -7.435 0.660 1.00 0.00 H new ATOM 222 N VAL A 18 -0.972 -5.386 2.566 1.00 0.00 N ATOM 223 CA VAL A 18 -1.788 -5.513 3.763 1.00 0.00 C ATOM 224 C VAL A 18 -2.860 -4.422 3.762 1.00 0.00 C ATOM 225 O VAL A 18 -4.053 -4.719 3.755 1.00 0.00 O ATOM 226 CB VAL A 18 -0.899 -5.479 5.008 1.00 0.00 C ATOM 227 CG1 VAL A 18 -1.691 -5.014 6.233 1.00 0.00 C ATOM 228 CG2 VAL A 18 -0.252 -6.842 5.257 1.00 0.00 C ATOM 0 H VAL A 18 0.010 -5.173 2.740 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.303 -6.474 3.775 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.101 -4.758 4.831 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.037 -4.998 7.105 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.082 -4.012 6.055 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.519 -5.700 6.413 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.374 -6.790 6.147 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.029 -7.592 5.403 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.360 -7.116 4.398 1.00 0.00 H new ATOM 238 N LEU A 19 -2.396 -3.181 3.770 1.00 0.00 N ATOM 239 CA LEU A 19 -3.300 -2.044 3.771 1.00 0.00 C ATOM 240 C LEU A 19 -4.471 -2.328 2.830 1.00 0.00 C ATOM 241 O LEU A 19 -5.628 -2.120 3.193 1.00 0.00 O ATOM 242 CB LEU A 19 -2.542 -0.756 3.438 1.00 0.00 C ATOM 243 CG LEU A 19 -1.348 -0.429 4.337 1.00 0.00 C ATOM 244 CD1 LEU A 19 -0.865 1.004 4.108 1.00 0.00 C ATOM 245 CD2 LEU A 19 -1.679 -0.693 5.807 1.00 0.00 C ATOM 0 H LEU A 19 -1.405 -2.938 3.776 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.719 -1.892 4.766 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.189 -0.821 2.409 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.244 0.077 3.482 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.527 -1.093 4.067 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.016 1.210 4.759 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.562 1.124 3.068 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.673 1.701 4.333 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.813 -0.452 6.424 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.523 -0.071 6.107 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.938 -1.744 5.939 1.00 0.00 H new ATOM 256 N TYR A 20 -4.132 -2.800 1.640 1.00 0.00 N ATOM 257 CA TYR A 20 -5.141 -3.115 0.644 1.00 0.00 C ATOM 258 C TYR A 20 -6.109 -4.181 1.163 1.00 0.00 C ATOM 259 O TYR A 20 -7.308 -3.931 1.282 1.00 0.00 O ATOM 260 CB TYR A 20 -4.384 -3.675 -0.562 1.00 0.00 C ATOM 261 CG TYR A 20 -5.285 -4.074 -1.732 1.00 0.00 C ATOM 262 CD1 TYR A 20 -6.316 -3.244 -2.123 1.00 0.00 C ATOM 263 CD2 TYR A 20 -5.066 -5.263 -2.397 1.00 0.00 C ATOM 264 CE1 TYR A 20 -7.164 -3.618 -3.225 1.00 0.00 C ATOM 265 CE2 TYR A 20 -5.915 -5.639 -3.499 1.00 0.00 C ATOM 266 CZ TYR A 20 -6.921 -4.798 -3.859 1.00 0.00 C ATOM 267 OH TYR A 20 -7.722 -5.152 -4.900 1.00 0.00 O ATOM 0 H TYR A 20 -3.172 -2.972 1.343 1.00 0.00 H new ATOM 0 HA TYR A 20 -5.725 -2.229 0.396 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.668 -2.929 -0.906 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.810 -4.546 -0.245 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -6.487 -2.313 -1.602 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -4.258 -5.912 -2.092 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -7.974 -2.977 -3.541 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -5.756 -6.568 -4.027 1.00 0.00 H new ATOM 0 HH TYR A 20 -7.431 -6.017 -5.257 1.00 0.00 H new ATOM 276 N SER A 21 -5.553 -5.347 1.457 1.00 0.00 N ATOM 277 CA SER A 21 -6.352 -6.451 1.961 1.00 0.00 C ATOM 278 C SER A 21 -7.214 -5.981 3.134 1.00 0.00 C ATOM 279 O SER A 21 -8.353 -6.422 3.288 1.00 0.00 O ATOM 280 CB SER A 21 -5.466 -7.622 2.389 1.00 0.00 C ATOM 281 OG SER A 21 -6.226 -8.692 2.943 1.00 0.00 O ATOM 0 H SER A 21 -4.559 -5.551 1.356 1.00 0.00 H new ATOM 0 HA SER A 21 -7.002 -6.797 1.157 1.00 0.00 H new ATOM 0 HB2 SER A 21 -4.904 -7.984 1.529 1.00 0.00 H new ATOM 0 HB3 SER A 21 -4.738 -7.276 3.123 1.00 0.00 H new ATOM 0 HG SER A 21 -5.875 -9.546 2.615 1.00 0.00 H new ATOM 286 N GLU A 22 -6.640 -5.093 3.931 1.00 0.00 N ATOM 287 CA GLU A 22 -7.341 -4.559 5.086 1.00 0.00 C ATOM 288 C GLU A 22 -8.620 -3.845 4.646 1.00 0.00 C ATOM 289 O GLU A 22 -9.682 -4.048 5.233 1.00 0.00 O ATOM 290 CB GLU A 22 -6.438 -3.620 5.890 1.00 0.00 C ATOM 291 CG GLU A 22 -5.393 -4.409 6.680 1.00 0.00 C ATOM 292 CD GLU A 22 -6.060 -5.337 7.697 1.00 0.00 C ATOM 293 OE1 GLU A 22 -6.949 -4.841 8.422 1.00 0.00 O ATOM 294 OE2 GLU A 22 -5.665 -6.523 7.728 1.00 0.00 O ATOM 0 H GLU A 22 -5.696 -4.729 3.800 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.616 -5.390 5.736 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.940 -2.923 5.216 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.043 -3.025 6.574 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.780 -4.995 5.995 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.725 -3.719 7.195 1.00 0.00 H new ATOM 299 N ALA A 23 -8.478 -3.024 3.616 1.00 0.00 N ATOM 300 CA ALA A 23 -9.609 -2.279 3.090 1.00 0.00 C ATOM 301 C ALA A 23 -10.558 -3.240 2.372 1.00 0.00 C ATOM 302 O ALA A 23 -11.764 -3.007 2.324 1.00 0.00 O ATOM 303 CB ALA A 23 -9.105 -1.163 2.173 1.00 0.00 C ATOM 0 H ALA A 23 -7.596 -2.858 3.131 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.167 -1.808 3.899 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.954 -0.605 1.779 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.460 -0.491 2.739 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.542 -1.597 1.347 1.00 0.00 H new ATOM 309 N LEU A 24 -9.976 -4.300 1.829 1.00 0.00 N ATOM 310 CA LEU A 24 -10.754 -5.298 1.116 1.00 0.00 C ATOM 311 C LEU A 24 -11.499 -6.175 2.124 1.00 0.00 C ATOM 312 O LEU A 24 -12.519 -6.776 1.793 1.00 0.00 O ATOM 313 CB LEU A 24 -9.861 -6.087 0.155 1.00 0.00 C ATOM 314 CG LEU A 24 -9.956 -5.698 -1.321 1.00 0.00 C ATOM 315 CD1 LEU A 24 -8.892 -6.421 -2.148 1.00 0.00 C ATOM 316 CD2 LEU A 24 -11.366 -5.942 -1.863 1.00 0.00 C ATOM 0 H LEU A 24 -8.974 -4.489 1.869 1.00 0.00 H new ATOM 0 HA LEU A 24 -11.509 -4.818 0.493 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.825 -5.971 0.475 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -10.107 -7.145 0.248 1.00 0.00 H new ATOM 0 HG LEU A 24 -9.759 -4.629 -1.406 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.982 -6.127 -3.194 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.901 -6.154 -1.780 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.033 -7.498 -2.061 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -11.406 -5.657 -2.914 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -11.616 -6.998 -1.763 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -12.081 -5.345 -1.298 1.00 0.00 H new ATOM 327 N GLY A 25 -10.960 -6.220 3.333 1.00 0.00 N ATOM 328 CA GLY A 25 -11.561 -7.014 4.391 1.00 0.00 C ATOM 329 C GLY A 25 -11.482 -8.507 4.069 1.00 0.00 C ATOM 330 O GLY A 25 -12.454 -9.238 4.255 1.00 0.00 O ATOM 0 H GLY A 25 -10.113 -5.719 3.604 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -11.052 -6.814 5.334 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -12.603 -6.722 4.523 1.00 0.00 H new ATOM 334 N ARG A 26 -10.317 -8.916 3.590 1.00 0.00 N ATOM 335 CA ARG A 26 -10.099 -10.310 3.239 1.00 0.00 C ATOM 336 C ARG A 26 -9.438 -11.052 4.403 1.00 0.00 C ATOM 337 O ARG A 26 -9.146 -10.456 5.438 1.00 0.00 O ATOM 338 CB ARG A 26 -9.214 -10.433 1.997 1.00 0.00 C ATOM 339 CG ARG A 26 -9.761 -9.584 0.848 1.00 0.00 C ATOM 340 CD ARG A 26 -10.253 -10.466 -0.300 1.00 0.00 C ATOM 341 NE ARG A 26 -11.733 -10.459 -0.345 1.00 0.00 N ATOM 342 CZ ARG A 26 -12.458 -11.034 -1.314 1.00 0.00 C ATOM 343 NH1 ARG A 26 -11.845 -11.666 -2.325 1.00 0.00 N ATOM 344 NH2 ARG A 26 -13.796 -10.977 -1.274 1.00 0.00 N ATOM 0 H ARG A 26 -9.513 -8.307 3.436 1.00 0.00 H new ATOM 0 HA ARG A 26 -11.071 -10.755 3.024 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -8.199 -10.116 2.237 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -9.158 -11.477 1.688 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -10.579 -8.961 1.209 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -8.984 -8.911 0.487 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -9.850 -10.104 -1.246 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -9.890 -11.485 -0.168 1.00 0.00 H new ATOM 0 HE ARG A 26 -12.232 -9.987 0.409 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -10.826 -11.709 -2.357 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -12.397 -12.104 -3.063 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -14.263 -10.496 -0.506 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -14.347 -11.415 -2.012 1.00 0.00 H new ATOM 355 N ALA A 27 -9.223 -12.343 4.194 1.00 0.00 N ATOM 356 CA ALA A 27 -8.604 -13.173 5.212 1.00 0.00 C ATOM 357 C ALA A 27 -7.107 -13.301 4.919 1.00 0.00 C ATOM 358 O ALA A 27 -6.283 -13.200 5.826 1.00 0.00 O ATOM 359 CB ALA A 27 -9.305 -14.531 5.260 1.00 0.00 C ATOM 0 H ALA A 27 -9.467 -12.834 3.334 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.710 -12.716 6.196 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.840 -15.154 6.024 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -10.359 -14.388 5.500 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -9.217 -15.020 4.290 1.00 0.00 H new ATOM 365 N SER A 28 -6.802 -13.519 3.648 1.00 0.00 N ATOM 366 CA SER A 28 -5.420 -13.660 3.224 1.00 0.00 C ATOM 367 C SER A 28 -4.901 -12.329 2.676 1.00 0.00 C ATOM 368 O SER A 28 -5.687 -11.456 2.313 1.00 0.00 O ATOM 369 CB SER A 28 -5.277 -14.761 2.171 1.00 0.00 C ATOM 370 OG SER A 28 -6.016 -15.930 2.516 1.00 0.00 O ATOM 0 H SER A 28 -7.489 -13.601 2.898 1.00 0.00 H new ATOM 0 HA SER A 28 -4.824 -13.944 4.091 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.620 -14.387 1.207 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.224 -15.019 2.057 1.00 0.00 H new ATOM 0 HG SER A 28 -5.900 -16.608 1.818 1.00 0.00 H new ATOM 375 N VAL A 29 -3.582 -12.218 2.632 1.00 0.00 N ATOM 376 CA VAL A 29 -2.950 -11.007 2.135 1.00 0.00 C ATOM 377 C VAL A 29 -2.821 -11.095 0.612 1.00 0.00 C ATOM 378 O VAL A 29 -2.092 -11.940 0.095 1.00 0.00 O ATOM 379 CB VAL A 29 -1.607 -10.791 2.837 1.00 0.00 C ATOM 380 CG1 VAL A 29 -0.857 -9.605 2.230 1.00 0.00 C ATOM 381 CG2 VAL A 29 -1.801 -10.606 4.343 1.00 0.00 C ATOM 0 H VAL A 29 -2.933 -12.946 2.932 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.563 -10.135 2.361 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.000 -11.684 2.685 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.094 -9.473 2.746 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.672 -9.794 1.173 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.457 -8.701 2.338 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.832 -10.454 4.819 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.434 -9.738 4.524 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.275 -11.494 4.761 1.00 0.00 H new ATOM 391 N VAL A 30 -3.539 -10.209 -0.062 1.00 0.00 N ATOM 392 CA VAL A 30 -3.514 -10.175 -1.515 1.00 0.00 C ATOM 393 C VAL A 30 -2.530 -9.100 -1.978 1.00 0.00 C ATOM 394 O VAL A 30 -2.247 -8.154 -1.245 1.00 0.00 O ATOM 395 CB VAL A 30 -4.929 -9.964 -2.057 1.00 0.00 C ATOM 396 CG1 VAL A 30 -5.716 -11.277 -2.060 1.00 0.00 C ATOM 397 CG2 VAL A 30 -5.667 -8.885 -1.262 1.00 0.00 C ATOM 0 H VAL A 30 -4.142 -9.509 0.371 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.166 -11.128 -1.914 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.844 -9.621 -3.088 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.718 -11.100 -2.450 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.206 -12.006 -2.690 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.785 -11.662 -1.043 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.670 -8.756 -1.669 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.735 -9.186 -0.217 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.122 -7.944 -1.334 1.00 0.00 H new ATOM 407 N PRO A 31 -2.021 -9.286 -3.226 1.00 0.00 N ATOM 408 CA PRO A 31 -1.074 -8.343 -3.797 1.00 0.00 C ATOM 409 C PRO A 31 -1.778 -7.059 -4.237 1.00 0.00 C ATOM 410 O PRO A 31 -3.001 -6.957 -4.155 1.00 0.00 O ATOM 411 CB PRO A 31 -0.423 -9.090 -4.949 1.00 0.00 C ATOM 412 CG PRO A 31 -1.352 -10.248 -5.274 1.00 0.00 C ATOM 413 CD PRO A 31 -2.333 -10.395 -4.122 1.00 0.00 C ATOM 0 HA PRO A 31 -0.323 -8.013 -3.080 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.294 -8.439 -5.813 1.00 0.00 H new ATOM 0 HB3 PRO A 31 0.567 -9.450 -4.671 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -1.884 -10.061 -6.207 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -0.783 -11.167 -5.411 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -3.364 -10.344 -4.471 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -2.214 -11.355 -3.620 1.00 0.00 H new ATOM 418 N LEU A 32 -0.975 -6.109 -4.697 1.00 0.00 N ATOM 419 CA LEU A 32 -1.505 -4.835 -5.151 1.00 0.00 C ATOM 420 C LEU A 32 -1.166 -4.645 -6.630 1.00 0.00 C ATOM 421 O LEU A 32 -0.038 -4.293 -6.972 1.00 0.00 O ATOM 422 CB LEU A 32 -1.010 -3.699 -4.254 1.00 0.00 C ATOM 423 CG LEU A 32 -1.240 -2.281 -4.781 1.00 0.00 C ATOM 424 CD1 LEU A 32 -2.618 -2.155 -5.434 1.00 0.00 C ATOM 425 CD2 LEU A 32 -1.033 -1.244 -3.674 1.00 0.00 C ATOM 0 H LEU A 32 0.039 -6.197 -4.765 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.592 -4.823 -5.069 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.499 -3.789 -3.284 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.058 -3.834 -4.086 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.498 -2.080 -5.554 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.756 -1.137 -5.800 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.691 -2.853 -6.268 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.391 -2.384 -4.700 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.203 -0.245 -4.075 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.735 -1.433 -2.862 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.013 -1.315 -3.295 1.00 0.00 H new ATOM 436 N PRO A 33 -2.190 -4.892 -7.491 1.00 0.00 N ATOM 437 CA PRO A 33 -2.011 -4.751 -8.927 1.00 0.00 C ATOM 438 C PRO A 33 -1.979 -3.277 -9.333 1.00 0.00 C ATOM 439 O PRO A 33 -2.908 -2.785 -9.972 1.00 0.00 O ATOM 440 CB PRO A 33 -3.173 -5.513 -9.544 1.00 0.00 C ATOM 441 CG PRO A 33 -4.209 -5.657 -8.442 1.00 0.00 C ATOM 442 CD PRO A 33 -3.539 -5.311 -7.123 1.00 0.00 C ATOM 0 HA PRO A 33 -1.059 -5.153 -9.274 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -3.584 -4.974 -10.398 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -2.851 -6.489 -9.907 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -5.055 -4.995 -8.625 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -4.600 -6.674 -8.416 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -4.073 -4.515 -6.604 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -3.518 -6.170 -6.452 1.00 0.00 H new ATOM 447 N TYR A 34 -0.901 -2.612 -8.945 1.00 0.00 N ATOM 448 CA TYR A 34 -0.736 -1.203 -9.261 1.00 0.00 C ATOM 449 C TYR A 34 -1.088 -0.925 -10.725 1.00 0.00 C ATOM 450 O TYR A 34 -1.833 0.008 -11.020 1.00 0.00 O ATOM 451 CB TYR A 34 0.746 -0.891 -9.038 1.00 0.00 C ATOM 452 CG TYR A 34 1.234 -1.180 -7.617 1.00 0.00 C ATOM 453 CD1 TYR A 34 1.150 -0.203 -6.647 1.00 0.00 C ATOM 454 CD2 TYR A 34 1.760 -2.418 -7.306 1.00 0.00 C ATOM 455 CE1 TYR A 34 1.610 -0.474 -5.309 1.00 0.00 C ATOM 456 CE2 TYR A 34 2.221 -2.689 -5.970 1.00 0.00 C ATOM 457 CZ TYR A 34 2.123 -1.704 -5.037 1.00 0.00 C ATOM 458 OH TYR A 34 2.557 -1.961 -3.774 1.00 0.00 O ATOM 0 H TYR A 34 -0.133 -3.023 -8.414 1.00 0.00 H new ATOM 0 HA TYR A 34 -1.390 -0.591 -8.640 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.340 -1.475 -9.741 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.924 0.160 -9.266 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.739 0.766 -6.891 1.00 0.00 H new ATOM 0 HD2 TYR A 34 1.825 -3.183 -8.065 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.549 0.282 -4.540 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.635 -3.653 -5.714 1.00 0.00 H new ATOM 0 HH TYR A 34 2.774 -1.118 -3.325 1.00 0.00 H new ATOM 467 N GLU A 35 -0.535 -1.751 -11.600 1.00 0.00 N ATOM 468 CA GLU A 35 -0.782 -1.605 -13.025 1.00 0.00 C ATOM 469 C GLU A 35 -2.275 -1.394 -13.286 1.00 0.00 C ATOM 470 O GLU A 35 -2.651 -0.727 -14.248 1.00 0.00 O ATOM 471 CB GLU A 35 -0.256 -2.816 -13.799 1.00 0.00 C ATOM 472 CG GLU A 35 -0.867 -4.114 -13.268 1.00 0.00 C ATOM 473 CD GLU A 35 -0.281 -5.330 -13.988 1.00 0.00 C ATOM 474 OE1 GLU A 35 -0.138 -5.242 -15.227 1.00 0.00 O ATOM 475 OE2 GLU A 35 0.011 -6.320 -13.283 1.00 0.00 O ATOM 0 H GLU A 35 0.083 -2.523 -11.351 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.243 -0.726 -13.379 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.491 -2.706 -14.858 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.830 -2.861 -13.717 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.681 -4.196 -12.197 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.948 -4.093 -13.403 1.00 0.00 H new ATOM 480 N ARG A 36 -3.084 -1.975 -12.413 1.00 0.00 N ATOM 481 CA ARG A 36 -4.527 -1.858 -12.537 1.00 0.00 C ATOM 482 C ARG A 36 -5.033 -0.655 -11.738 1.00 0.00 C ATOM 483 O ARG A 36 -5.534 0.310 -12.312 1.00 0.00 O ATOM 484 CB ARG A 36 -5.227 -3.124 -12.039 1.00 0.00 C ATOM 485 CG ARG A 36 -5.110 -4.254 -13.063 1.00 0.00 C ATOM 486 CD ARG A 36 -6.435 -5.004 -13.205 1.00 0.00 C ATOM 487 NE ARG A 36 -6.305 -6.373 -12.655 1.00 0.00 N ATOM 488 CZ ARG A 36 -7.261 -7.308 -12.732 1.00 0.00 C ATOM 489 NH1 ARG A 36 -8.424 -7.028 -13.335 1.00 0.00 N ATOM 490 NH2 ARG A 36 -7.054 -8.521 -12.204 1.00 0.00 N ATOM 0 H ARG A 36 -2.768 -2.528 -11.617 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.759 -1.720 -13.593 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.787 -3.439 -11.093 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -6.278 -2.911 -11.846 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.814 -3.845 -14.029 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.327 -4.947 -12.757 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.225 -4.466 -12.680 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.725 -5.051 -14.255 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.432 -6.619 -12.188 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -8.581 -6.103 -13.735 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.152 -7.740 -13.394 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.169 -8.732 -11.744 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.782 -9.233 -12.262 1.00 0.00 H new ATOM 501 N LEU A 37 -4.885 -0.753 -10.424 1.00 0.00 N ATOM 502 CA LEU A 37 -5.321 0.314 -9.540 1.00 0.00 C ATOM 503 C LEU A 37 -4.866 1.660 -10.109 1.00 0.00 C ATOM 504 O LEU A 37 -5.608 2.639 -10.066 1.00 0.00 O ATOM 505 CB LEU A 37 -4.840 0.056 -8.111 1.00 0.00 C ATOM 506 CG LEU A 37 -5.094 -1.348 -7.560 1.00 0.00 C ATOM 507 CD1 LEU A 37 -5.224 -1.324 -6.036 1.00 0.00 C ATOM 508 CD2 LEU A 37 -6.314 -1.986 -8.229 1.00 0.00 C ATOM 0 H LEU A 37 -4.469 -1.555 -9.951 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.409 0.342 -9.485 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.769 0.253 -8.069 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.323 0.776 -7.451 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.232 -1.970 -7.800 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.404 -2.335 -5.670 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.303 -0.938 -5.598 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.057 -0.681 -5.752 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.473 -2.984 -7.820 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.195 -1.372 -8.041 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.144 -2.057 -9.303 1.00 0.00 H new ATOM 519 N LEU A 38 -3.648 1.664 -10.630 1.00 0.00 N ATOM 520 CA LEU A 38 -3.085 2.873 -11.207 1.00 0.00 C ATOM 521 C LEU A 38 -3.978 3.348 -12.355 1.00 0.00 C ATOM 522 O LEU A 38 -4.234 4.544 -12.493 1.00 0.00 O ATOM 523 CB LEU A 38 -1.628 2.644 -11.616 1.00 0.00 C ATOM 524 CG LEU A 38 -0.641 2.405 -10.471 1.00 0.00 C ATOM 525 CD1 LEU A 38 0.680 1.840 -10.997 1.00 0.00 C ATOM 526 CD2 LEU A 38 -0.432 3.681 -9.652 1.00 0.00 C ATOM 0 H LEU A 38 -3.035 0.849 -10.665 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.062 3.673 -10.467 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.590 1.786 -12.287 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.291 3.510 -12.186 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.068 1.659 -9.801 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.364 1.679 -10.164 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.495 0.892 -11.503 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.123 2.546 -11.700 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.274 3.484 -8.845 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.036 4.466 -10.296 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.384 4.003 -9.231 1.00 0.00 H new ATOM 537 N ARG A 39 -4.427 2.388 -13.149 1.00 0.00 N ATOM 538 CA ARG A 39 -5.286 2.694 -14.281 1.00 0.00 C ATOM 539 C ARG A 39 -6.559 3.399 -13.806 1.00 0.00 C ATOM 540 O ARG A 39 -6.972 4.400 -14.389 1.00 0.00 O ATOM 541 CB ARG A 39 -5.669 1.423 -15.041 1.00 0.00 C ATOM 542 CG ARG A 39 -6.249 1.760 -16.416 1.00 0.00 C ATOM 543 CD ARG A 39 -6.113 0.574 -17.374 1.00 0.00 C ATOM 544 NE ARG A 39 -6.691 0.920 -18.693 1.00 0.00 N ATOM 545 CZ ARG A 39 -6.585 0.150 -19.784 1.00 0.00 C ATOM 546 NH1 ARG A 39 -5.924 -1.013 -19.722 1.00 0.00 N ATOM 547 NH2 ARG A 39 -7.140 0.544 -20.938 1.00 0.00 N ATOM 0 H ARG A 39 -4.213 1.398 -13.031 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.731 3.351 -14.951 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.792 0.787 -15.158 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.399 0.856 -14.464 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -7.300 2.032 -16.315 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -5.734 2.627 -16.829 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.063 0.306 -17.487 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -6.622 -0.297 -16.962 1.00 0.00 H new ATOM 0 HE ARG A 39 -7.201 1.799 -18.776 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -5.501 -1.313 -18.844 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.844 -1.599 -20.553 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -7.643 1.430 -20.986 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -7.059 -0.042 -21.769 1.00 0.00 H new ATOM 558 N GLU A 40 -7.144 2.848 -12.753 1.00 0.00 N ATOM 559 CA GLU A 40 -8.361 3.411 -12.193 1.00 0.00 C ATOM 560 C GLU A 40 -8.127 3.847 -10.745 1.00 0.00 C ATOM 561 O GLU A 40 -8.072 3.012 -9.843 1.00 0.00 O ATOM 562 CB GLU A 40 -9.519 2.416 -12.286 1.00 0.00 C ATOM 563 CG GLU A 40 -9.003 0.975 -12.319 1.00 0.00 C ATOM 564 CD GLU A 40 -10.151 -0.013 -12.530 1.00 0.00 C ATOM 565 OE1 GLU A 40 -11.272 0.315 -12.084 1.00 0.00 O ATOM 566 OE2 GLU A 40 -9.882 -1.077 -13.129 1.00 0.00 O ATOM 0 H GLU A 40 -6.798 2.017 -12.273 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.633 4.290 -12.777 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.186 2.548 -11.434 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.105 2.617 -13.183 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.272 0.865 -13.120 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.489 0.747 -11.385 1.00 0.00 H new ATOM 571 N PRO A 41 -7.992 5.188 -10.563 1.00 0.00 N ATOM 572 CA PRO A 41 -7.766 5.745 -9.240 1.00 0.00 C ATOM 573 C PRO A 41 -9.051 5.726 -8.411 1.00 0.00 C ATOM 574 O PRO A 41 -9.001 5.706 -7.182 1.00 0.00 O ATOM 575 CB PRO A 41 -7.240 7.149 -9.489 1.00 0.00 C ATOM 576 CG PRO A 41 -7.628 7.492 -10.918 1.00 0.00 C ATOM 577 CD PRO A 41 -8.052 6.206 -11.608 1.00 0.00 C ATOM 0 HA PRO A 41 -7.052 5.165 -8.655 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -7.674 7.859 -8.785 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -6.159 7.190 -9.357 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -8.442 8.217 -10.929 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -6.788 7.948 -11.443 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -9.057 6.291 -12.021 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -7.387 5.963 -12.436 1.00 0.00 H new ATOM 582 N GLY A 42 -10.173 5.734 -9.115 1.00 0.00 N ATOM 583 CA GLY A 42 -11.470 5.718 -8.459 1.00 0.00 C ATOM 584 C GLY A 42 -11.750 4.352 -7.830 1.00 0.00 C ATOM 585 O GLY A 42 -12.525 4.249 -6.881 1.00 0.00 O ATOM 0 H GLY A 42 -10.211 5.751 -10.134 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.502 6.490 -7.690 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -12.250 5.956 -9.182 1.00 0.00 H new ATOM 589 N LEU A 43 -11.102 3.338 -8.384 1.00 0.00 N ATOM 590 CA LEU A 43 -11.272 1.982 -7.889 1.00 0.00 C ATOM 591 C LEU A 43 -10.659 1.873 -6.492 1.00 0.00 C ATOM 592 O LEU A 43 -11.239 1.254 -5.602 1.00 0.00 O ATOM 593 CB LEU A 43 -10.705 0.971 -8.889 1.00 0.00 C ATOM 594 CG LEU A 43 -11.174 -0.475 -8.721 1.00 0.00 C ATOM 595 CD1 LEU A 43 -12.590 -0.659 -9.274 1.00 0.00 C ATOM 596 CD2 LEU A 43 -10.180 -1.451 -9.352 1.00 0.00 C ATOM 0 H LEU A 43 -10.459 3.428 -9.170 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.331 1.742 -7.793 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.964 1.301 -9.895 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.618 0.990 -8.817 1.00 0.00 H new ATOM 0 HG LEU A 43 -11.212 -0.701 -7.655 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -12.900 -1.696 -9.143 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -13.278 -0.004 -8.739 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -12.602 -0.409 -10.335 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -10.538 -2.472 -9.218 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.085 -1.236 -10.416 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -9.208 -1.341 -8.872 1.00 0.00 H new ATOM 607 N LEU A 44 -9.493 2.485 -6.342 1.00 0.00 N ATOM 608 CA LEU A 44 -8.796 2.465 -5.068 1.00 0.00 C ATOM 609 C LEU A 44 -7.875 3.684 -4.976 1.00 0.00 C ATOM 610 O LEU A 44 -6.939 3.819 -5.762 1.00 0.00 O ATOM 611 CB LEU A 44 -8.071 1.132 -4.875 1.00 0.00 C ATOM 612 CG LEU A 44 -6.980 1.110 -3.803 1.00 0.00 C ATOM 613 CD1 LEU A 44 -7.422 1.876 -2.554 1.00 0.00 C ATOM 614 CD2 LEU A 44 -6.560 -0.324 -3.476 1.00 0.00 C ATOM 0 H LEU A 44 -9.014 2.998 -7.082 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.506 2.538 -4.244 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.811 0.371 -4.627 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.624 0.844 -5.826 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.102 1.620 -4.200 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.628 1.845 -1.808 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.631 2.913 -2.818 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.322 1.417 -2.145 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.783 -0.310 -2.711 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.422 -0.881 -3.108 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.175 -0.804 -4.375 1.00 0.00 H new ATOM 625 N ALA A 45 -8.173 4.539 -4.010 1.00 0.00 N ATOM 626 CA ALA A 45 -7.384 5.742 -3.805 1.00 0.00 C ATOM 627 C ALA A 45 -6.481 5.553 -2.584 1.00 0.00 C ATOM 628 O ALA A 45 -6.933 5.084 -1.541 1.00 0.00 O ATOM 629 CB ALA A 45 -8.317 6.947 -3.659 1.00 0.00 C ATOM 0 H ALA A 45 -8.950 4.423 -3.360 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.741 5.930 -4.665 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -7.725 7.849 -3.505 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.915 7.056 -4.564 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.976 6.795 -2.804 1.00 0.00 H new ATOM 635 N VAL A 46 -5.222 5.928 -2.755 1.00 0.00 N ATOM 636 CA VAL A 46 -4.252 5.806 -1.680 1.00 0.00 C ATOM 637 C VAL A 46 -4.117 7.152 -0.966 1.00 0.00 C ATOM 638 O VAL A 46 -3.713 8.143 -1.572 1.00 0.00 O ATOM 639 CB VAL A 46 -2.924 5.285 -2.231 1.00 0.00 C ATOM 640 CG1 VAL A 46 -1.910 5.071 -1.105 1.00 0.00 C ATOM 641 CG2 VAL A 46 -3.129 4.000 -3.035 1.00 0.00 C ATOM 0 H VAL A 46 -4.851 6.317 -3.622 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.589 5.079 -0.941 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.522 6.041 -2.906 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.974 4.700 -1.524 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.729 6.016 -0.594 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.303 4.344 -0.395 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.169 3.652 -3.415 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -3.564 3.235 -2.393 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.800 4.197 -3.871 1.00 0.00 H new ATOM 651 N GLN A 47 -4.462 7.144 0.314 1.00 0.00 N ATOM 652 CA GLN A 47 -4.384 8.351 1.118 1.00 0.00 C ATOM 653 C GLN A 47 -3.368 8.173 2.248 1.00 0.00 C ATOM 654 O GLN A 47 -2.932 7.057 2.524 1.00 0.00 O ATOM 655 CB GLN A 47 -5.759 8.732 1.671 1.00 0.00 C ATOM 656 CG GLN A 47 -6.475 9.709 0.737 1.00 0.00 C ATOM 657 CD GLN A 47 -6.089 11.154 1.056 1.00 0.00 C ATOM 658 OE1 GLN A 47 -4.979 11.596 0.808 1.00 0.00 O ATOM 659 NE2 GLN A 47 -7.064 11.864 1.618 1.00 0.00 N ATOM 0 H GLN A 47 -4.796 6.320 0.814 1.00 0.00 H new ATOM 0 HA GLN A 47 -4.047 9.167 0.479 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -6.365 7.835 1.798 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -5.646 9.183 2.657 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -6.221 9.481 -0.298 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -7.554 9.587 0.835 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -7.970 11.432 1.798 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -6.905 12.840 1.868 1.00 0.00 H new ATOM 666 N GLY A 48 -3.019 9.290 2.869 1.00 0.00 N ATOM 667 CA GLY A 48 -2.063 9.271 3.963 1.00 0.00 C ATOM 668 C GLY A 48 -0.676 8.849 3.471 1.00 0.00 C ATOM 669 O GLY A 48 0.088 8.234 4.211 1.00 0.00 O ATOM 0 H GLY A 48 -3.381 10.214 2.635 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -2.006 10.260 4.418 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.404 8.583 4.737 1.00 0.00 H new ATOM 673 N LEU A 49 -0.394 9.199 2.224 1.00 0.00 N ATOM 674 CA LEU A 49 0.886 8.865 1.625 1.00 0.00 C ATOM 675 C LEU A 49 1.960 9.808 2.170 1.00 0.00 C ATOM 676 O LEU A 49 1.645 10.837 2.766 1.00 0.00 O ATOM 677 CB LEU A 49 0.781 8.870 0.098 1.00 0.00 C ATOM 678 CG LEU A 49 0.382 7.542 -0.550 1.00 0.00 C ATOM 679 CD1 LEU A 49 -0.194 7.767 -1.949 1.00 0.00 C ATOM 680 CD2 LEU A 49 1.558 6.564 -0.564 1.00 0.00 C ATOM 0 H LEU A 49 -1.031 9.710 1.613 1.00 0.00 H new ATOM 0 HA LEU A 49 1.182 7.852 1.898 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.054 9.627 -0.194 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.743 9.177 -0.312 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.405 7.090 0.053 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.470 6.808 -2.388 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.077 8.402 -1.881 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.554 8.252 -2.577 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.248 5.629 -1.030 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.383 6.995 -1.131 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.882 6.370 0.458 1.00 0.00 H new ATOM 691 N PRO A 50 3.242 9.416 1.939 1.00 0.00 N ATOM 692 CA PRO A 50 4.365 10.214 2.400 1.00 0.00 C ATOM 693 C PRO A 50 4.551 11.456 1.524 1.00 0.00 C ATOM 694 O PRO A 50 5.061 11.361 0.409 1.00 0.00 O ATOM 695 CB PRO A 50 5.558 9.275 2.360 1.00 0.00 C ATOM 696 CG PRO A 50 5.158 8.130 1.444 1.00 0.00 C ATOM 697 CD PRO A 50 3.654 8.204 1.235 1.00 0.00 C ATOM 0 HA PRO A 50 4.218 10.606 3.406 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.444 9.785 1.983 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.801 8.910 3.358 1.00 0.00 H new ATOM 0 HG2 PRO A 50 5.680 8.204 0.490 1.00 0.00 H new ATOM 0 HG3 PRO A 50 5.435 7.173 1.886 1.00 0.00 H new ATOM 0 HD2 PRO A 50 3.403 8.257 0.176 1.00 0.00 H new ATOM 0 HD3 PRO A 50 3.154 7.323 1.637 1.00 0.00 H new ATOM 702 N GLU A 51 4.127 12.589 2.062 1.00 0.00 N ATOM 703 CA GLU A 51 4.241 13.847 1.343 1.00 0.00 C ATOM 704 C GLU A 51 5.482 13.837 0.448 1.00 0.00 C ATOM 705 O GLU A 51 6.511 13.269 0.814 1.00 0.00 O ATOM 706 CB GLU A 51 4.273 15.030 2.312 1.00 0.00 C ATOM 707 CG GLU A 51 2.946 15.161 3.062 1.00 0.00 C ATOM 708 CD GLU A 51 2.922 16.430 3.918 1.00 0.00 C ATOM 709 OE1 GLU A 51 3.979 16.731 4.515 1.00 0.00 O ATOM 710 OE2 GLU A 51 1.849 17.070 3.955 1.00 0.00 O ATOM 0 H GLU A 51 3.704 12.663 2.987 1.00 0.00 H new ATOM 0 HA GLU A 51 3.362 13.962 0.709 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.086 14.898 3.025 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.477 15.949 1.763 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.122 15.184 2.349 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.795 14.287 3.696 1.00 0.00 H new ATOM 715 N GLY A 52 5.344 14.471 -0.707 1.00 0.00 N ATOM 716 CA GLY A 52 6.441 14.542 -1.657 1.00 0.00 C ATOM 717 C GLY A 52 6.699 13.177 -2.300 1.00 0.00 C ATOM 718 O GLY A 52 7.831 12.696 -2.309 1.00 0.00 O ATOM 0 H GLY A 52 4.489 14.940 -1.006 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.210 15.275 -2.430 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.343 14.886 -1.151 1.00 0.00 H new ATOM 722 N LEU A 53 5.630 12.594 -2.821 1.00 0.00 N ATOM 723 CA LEU A 53 5.727 11.294 -3.464 1.00 0.00 C ATOM 724 C LEU A 53 4.516 11.091 -4.377 1.00 0.00 C ATOM 725 O LEU A 53 3.749 12.023 -4.615 1.00 0.00 O ATOM 726 CB LEU A 53 5.901 10.190 -2.420 1.00 0.00 C ATOM 727 CG LEU A 53 7.344 9.833 -2.057 1.00 0.00 C ATOM 728 CD1 LEU A 53 7.392 8.596 -1.157 1.00 0.00 C ATOM 729 CD2 LEU A 53 8.200 9.661 -3.313 1.00 0.00 C ATOM 0 H LEU A 53 4.693 12.997 -2.811 1.00 0.00 H new ATOM 0 HA LEU A 53 6.615 11.246 -4.094 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.382 10.492 -1.510 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.406 9.290 -2.785 1.00 0.00 H new ATOM 0 HG LEU A 53 7.768 10.662 -1.490 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.429 8.363 -0.913 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.839 8.793 -0.239 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.943 7.750 -1.677 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.221 9.408 -3.026 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.787 8.861 -3.928 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.203 10.591 -3.881 1.00 0.00 H new ATOM 740 N ALA A 54 4.381 9.866 -4.865 1.00 0.00 N ATOM 741 CA ALA A 54 3.276 9.529 -5.746 1.00 0.00 C ATOM 742 C ALA A 54 2.980 8.032 -5.634 1.00 0.00 C ATOM 743 O ALA A 54 3.897 7.215 -5.584 1.00 0.00 O ATOM 744 CB ALA A 54 3.618 9.950 -7.176 1.00 0.00 C ATOM 0 H ALA A 54 5.019 9.095 -4.667 1.00 0.00 H new ATOM 0 HA ALA A 54 2.374 10.067 -5.455 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.789 9.697 -7.838 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.792 11.026 -7.207 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.517 9.427 -7.504 1.00 0.00 H new ATOM 750 N PHE A 55 1.692 7.718 -5.598 1.00 0.00 N ATOM 751 CA PHE A 55 1.263 6.334 -5.494 1.00 0.00 C ATOM 752 C PHE A 55 1.818 5.499 -6.649 1.00 0.00 C ATOM 753 O PHE A 55 1.383 5.645 -7.790 1.00 0.00 O ATOM 754 CB PHE A 55 -0.265 6.333 -5.567 1.00 0.00 C ATOM 755 CG PHE A 55 -0.877 4.947 -5.784 1.00 0.00 C ATOM 756 CD1 PHE A 55 -0.484 3.902 -5.008 1.00 0.00 C ATOM 757 CD2 PHE A 55 -1.814 4.762 -6.752 1.00 0.00 C ATOM 758 CE1 PHE A 55 -1.052 2.616 -5.209 1.00 0.00 C ATOM 759 CE2 PHE A 55 -2.382 3.476 -6.953 1.00 0.00 C ATOM 760 CZ PHE A 55 -1.989 2.430 -6.177 1.00 0.00 C ATOM 0 H PHE A 55 0.933 8.398 -5.639 1.00 0.00 H new ATOM 0 HA PHE A 55 1.626 5.901 -4.562 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -0.663 6.754 -4.644 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -0.580 6.989 -6.378 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.260 4.050 -4.239 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -2.126 5.593 -7.368 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.740 1.786 -4.593 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.126 3.328 -7.722 1.00 0.00 H new ATOM 0 HZ PHE A 55 -2.421 1.452 -6.330 1.00 0.00 H new ATOM 769 N ARG A 56 2.769 4.640 -6.313 1.00 0.00 N ATOM 770 CA ARG A 56 3.388 3.781 -7.308 1.00 0.00 C ATOM 771 C ARG A 56 4.150 2.642 -6.626 1.00 0.00 C ATOM 772 O ARG A 56 4.518 2.749 -5.457 1.00 0.00 O ATOM 773 CB ARG A 56 4.351 4.571 -8.196 1.00 0.00 C ATOM 774 CG ARG A 56 5.062 5.664 -7.395 1.00 0.00 C ATOM 775 CD ARG A 56 6.542 5.748 -7.777 1.00 0.00 C ATOM 776 NE ARG A 56 6.683 6.312 -9.137 1.00 0.00 N ATOM 777 CZ ARG A 56 7.820 6.829 -9.623 1.00 0.00 C ATOM 778 NH1 ARG A 56 8.922 6.857 -8.860 1.00 0.00 N ATOM 779 NH2 ARG A 56 7.856 7.319 -10.869 1.00 0.00 N ATOM 0 H ARG A 56 3.126 4.520 -5.365 1.00 0.00 H new ATOM 0 HA ARG A 56 2.594 3.369 -7.931 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.088 3.896 -8.631 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.803 5.020 -9.024 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.581 6.625 -7.577 1.00 0.00 H new ATOM 0 HG3 ARG A 56 4.969 5.458 -6.329 1.00 0.00 H new ATOM 0 HD2 ARG A 56 7.076 6.370 -7.059 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.993 4.757 -7.737 1.00 0.00 H new ATOM 0 HE ARG A 56 5.863 6.307 -9.743 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.895 6.485 -7.911 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.788 7.250 -9.229 1.00 0.00 H new ATOM 0 HH21 ARG A 56 7.017 7.299 -11.449 1.00 0.00 H new ATOM 0 HH22 ARG A 56 8.722 7.712 -11.238 1.00 0.00 H new ATOM 790 N ARG A 57 4.367 1.580 -7.387 1.00 0.00 N ATOM 791 CA ARG A 57 5.079 0.424 -6.871 1.00 0.00 C ATOM 792 C ARG A 57 6.211 0.868 -5.942 1.00 0.00 C ATOM 793 O ARG A 57 6.743 1.967 -6.088 1.00 0.00 O ATOM 794 CB ARG A 57 5.664 -0.417 -8.009 1.00 0.00 C ATOM 795 CG ARG A 57 4.915 -1.744 -8.151 1.00 0.00 C ATOM 796 CD ARG A 57 5.377 -2.503 -9.396 1.00 0.00 C ATOM 797 NE ARG A 57 4.852 -3.886 -9.369 1.00 0.00 N ATOM 798 CZ ARG A 57 3.636 -4.236 -9.810 1.00 0.00 C ATOM 799 NH1 ARG A 57 2.812 -3.308 -10.313 1.00 0.00 N ATOM 800 NH2 ARG A 57 3.243 -5.517 -9.745 1.00 0.00 N ATOM 0 H ARG A 57 4.062 1.496 -8.357 1.00 0.00 H new ATOM 0 HA ARG A 57 4.365 -0.183 -6.315 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.606 0.140 -8.944 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.720 -0.610 -7.818 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.081 -2.356 -7.265 1.00 0.00 H new ATOM 0 HG3 ARG A 57 3.843 -1.556 -8.212 1.00 0.00 H new ATOM 0 HD2 ARG A 57 5.030 -1.991 -10.294 1.00 0.00 H new ATOM 0 HD3 ARG A 57 6.466 -2.519 -9.439 1.00 0.00 H new ATOM 0 HE ARG A 57 5.453 -4.618 -8.991 1.00 0.00 H new ATOM 0 HH11 ARG A 57 3.110 -2.334 -10.361 1.00 0.00 H new ATOM 0 HH12 ARG A 57 1.887 -3.576 -10.648 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.870 -6.224 -9.360 1.00 0.00 H new ATOM 0 HH22 ARG A 57 2.318 -5.784 -10.080 1.00 0.00 H new ATOM 811 N PRO A 58 6.554 -0.033 -4.982 1.00 0.00 N ATOM 812 CA PRO A 58 7.613 0.256 -4.029 1.00 0.00 C ATOM 813 C PRO A 58 8.989 0.133 -4.685 1.00 0.00 C ATOM 814 O PRO A 58 9.959 0.729 -4.220 1.00 0.00 O ATOM 815 CB PRO A 58 7.403 -0.736 -2.897 1.00 0.00 C ATOM 816 CG PRO A 58 6.529 -1.842 -3.467 1.00 0.00 C ATOM 817 CD PRO A 58 5.946 -1.344 -4.779 1.00 0.00 C ATOM 0 HA PRO A 58 7.577 1.280 -3.656 1.00 0.00 H new ATOM 0 HB2 PRO A 58 8.355 -1.133 -2.544 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.921 -0.258 -2.044 1.00 0.00 H new ATOM 0 HG2 PRO A 58 7.115 -2.747 -3.628 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.733 -2.098 -2.768 1.00 0.00 H new ATOM 0 HD2 PRO A 58 6.183 -2.021 -5.600 1.00 0.00 H new ATOM 0 HD3 PRO A 58 4.860 -1.273 -4.728 1.00 0.00 H new ATOM 822 N ALA A 59 9.031 -0.646 -5.757 1.00 0.00 N ATOM 823 CA ALA A 59 10.273 -0.855 -6.482 1.00 0.00 C ATOM 824 C ALA A 59 10.517 0.329 -7.420 1.00 0.00 C ATOM 825 O ALA A 59 11.605 0.473 -7.974 1.00 0.00 O ATOM 826 CB ALA A 59 10.209 -2.188 -7.230 1.00 0.00 C ATOM 0 H ALA A 59 8.225 -1.140 -6.140 1.00 0.00 H new ATOM 0 HA ALA A 59 11.116 -0.908 -5.793 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.140 -2.345 -7.774 1.00 0.00 H new ATOM 0 HB2 ALA A 59 10.064 -2.999 -6.516 1.00 0.00 H new ATOM 0 HB3 ALA A 59 9.377 -2.171 -7.933 1.00 0.00 H new ATOM 832 N GLU A 60 9.485 1.148 -7.569 1.00 0.00 N ATOM 833 CA GLU A 60 9.574 2.314 -8.430 1.00 0.00 C ATOM 834 C GLU A 60 9.828 3.571 -7.596 1.00 0.00 C ATOM 835 O GLU A 60 10.102 4.639 -8.143 1.00 0.00 O ATOM 836 CB GLU A 60 8.310 2.466 -9.279 1.00 0.00 C ATOM 837 CG GLU A 60 8.151 1.287 -10.241 1.00 0.00 C ATOM 838 CD GLU A 60 7.989 1.772 -11.683 1.00 0.00 C ATOM 839 OE1 GLU A 60 6.828 2.021 -12.072 1.00 0.00 O ATOM 840 OE2 GLU A 60 9.032 1.885 -12.363 1.00 0.00 O ATOM 0 H GLU A 60 8.584 1.026 -7.108 1.00 0.00 H new ATOM 0 HA GLU A 60 10.415 2.176 -9.110 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.437 2.530 -8.630 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.357 3.397 -9.844 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.021 0.635 -10.169 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.283 0.694 -9.954 1.00 0.00 H new ATOM 845 N TYR A 61 9.727 3.404 -6.286 1.00 0.00 N ATOM 846 CA TYR A 61 9.943 4.512 -5.370 1.00 0.00 C ATOM 847 C TYR A 61 11.435 4.730 -5.116 1.00 0.00 C ATOM 848 O TYR A 61 12.268 3.952 -5.578 1.00 0.00 O ATOM 849 CB TYR A 61 9.267 4.112 -4.057 1.00 0.00 C ATOM 850 CG TYR A 61 7.856 4.677 -3.886 1.00 0.00 C ATOM 851 CD1 TYR A 61 7.564 5.951 -4.330 1.00 0.00 C ATOM 852 CD2 TYR A 61 6.875 3.913 -3.288 1.00 0.00 C ATOM 853 CE1 TYR A 61 6.235 6.483 -4.169 1.00 0.00 C ATOM 854 CE2 TYR A 61 5.546 4.444 -3.127 1.00 0.00 C ATOM 855 CZ TYR A 61 5.292 5.703 -3.575 1.00 0.00 C ATOM 856 OH TYR A 61 4.037 6.206 -3.424 1.00 0.00 O ATOM 0 H TYR A 61 9.498 2.518 -5.836 1.00 0.00 H new ATOM 0 HA TYR A 61 9.539 5.436 -5.783 1.00 0.00 H new ATOM 0 HB2 TYR A 61 9.221 3.024 -4.001 1.00 0.00 H new ATOM 0 HB3 TYR A 61 9.885 4.448 -3.225 1.00 0.00 H new ATOM 0 HD1 TYR A 61 8.332 6.549 -4.798 1.00 0.00 H new ATOM 0 HD2 TYR A 61 7.104 2.916 -2.941 1.00 0.00 H new ATOM 0 HE1 TYR A 61 5.993 7.478 -4.512 1.00 0.00 H new ATOM 0 HE2 TYR A 61 4.769 3.856 -2.661 1.00 0.00 H new ATOM 0 HH TYR A 61 3.587 6.230 -4.294 1.00 0.00 H new ATOM 865 N ASP A 62 11.728 5.794 -4.382 1.00 0.00 N ATOM 866 CA ASP A 62 13.106 6.124 -4.060 1.00 0.00 C ATOM 867 C ASP A 62 13.531 5.359 -2.805 1.00 0.00 C ATOM 868 O ASP A 62 12.750 4.588 -2.250 1.00 0.00 O ATOM 869 CB ASP A 62 13.262 7.619 -3.778 1.00 0.00 C ATOM 870 CG ASP A 62 12.067 8.484 -4.187 1.00 0.00 C ATOM 871 OD1 ASP A 62 10.933 8.075 -3.858 1.00 0.00 O ATOM 872 OD2 ASP A 62 12.316 9.533 -4.820 1.00 0.00 O ATOM 0 H ASP A 62 11.035 6.438 -4.001 1.00 0.00 H new ATOM 0 HA ASP A 62 13.726 5.851 -4.914 1.00 0.00 H new ATOM 0 HB2 ASP A 62 13.441 7.755 -2.712 1.00 0.00 H new ATOM 0 HB3 ASP A 62 14.148 7.981 -4.299 1.00 0.00 H new ATOM 876 N PRO A 63 14.800 5.607 -2.383 1.00 0.00 N ATOM 877 CA PRO A 63 15.338 4.950 -1.203 1.00 0.00 C ATOM 878 C PRO A 63 14.757 5.558 0.075 1.00 0.00 C ATOM 879 O PRO A 63 14.188 4.846 0.902 1.00 0.00 O ATOM 880 CB PRO A 63 16.844 5.119 -1.311 1.00 0.00 C ATOM 881 CG PRO A 63 17.066 6.258 -2.294 1.00 0.00 C ATOM 882 CD PRO A 63 15.753 6.514 -3.015 1.00 0.00 C ATOM 0 HA PRO A 63 15.073 3.894 -1.151 1.00 0.00 H new ATOM 0 HB2 PRO A 63 17.282 5.350 -0.340 1.00 0.00 H new ATOM 0 HB3 PRO A 63 17.316 4.202 -1.663 1.00 0.00 H new ATOM 0 HG2 PRO A 63 17.395 7.155 -1.770 1.00 0.00 H new ATOM 0 HG3 PRO A 63 17.849 6.000 -3.007 1.00 0.00 H new ATOM 0 HD2 PRO A 63 15.440 7.553 -2.911 1.00 0.00 H new ATOM 0 HD3 PRO A 63 15.842 6.314 -4.083 1.00 0.00 H new ATOM 887 N LYS A 64 14.921 6.866 0.197 1.00 0.00 N ATOM 888 CA LYS A 64 14.420 7.579 1.361 1.00 0.00 C ATOM 889 C LYS A 64 12.892 7.524 1.368 1.00 0.00 C ATOM 890 O LYS A 64 12.265 7.714 2.409 1.00 0.00 O ATOM 891 CB LYS A 64 14.985 8.999 1.404 1.00 0.00 C ATOM 892 CG LYS A 64 16.336 9.032 2.122 1.00 0.00 C ATOM 893 CD LYS A 64 17.455 8.528 1.209 1.00 0.00 C ATOM 894 CE LYS A 64 18.820 9.024 1.689 1.00 0.00 C ATOM 895 NZ LYS A 64 18.964 10.474 1.430 1.00 0.00 N ATOM 0 H LYS A 64 15.394 7.452 -0.491 1.00 0.00 H new ATOM 0 HA LYS A 64 14.761 7.098 2.278 1.00 0.00 H new ATOM 0 HB2 LYS A 64 15.100 9.379 0.389 1.00 0.00 H new ATOM 0 HB3 LYS A 64 14.282 9.658 1.914 1.00 0.00 H new ATOM 0 HG2 LYS A 64 16.556 10.050 2.444 1.00 0.00 H new ATOM 0 HG3 LYS A 64 16.290 8.416 3.020 1.00 0.00 H new ATOM 0 HD2 LYS A 64 17.448 7.438 1.186 1.00 0.00 H new ATOM 0 HD3 LYS A 64 17.278 8.869 0.189 1.00 0.00 H new ATOM 0 HE2 LYS A 64 18.931 8.826 2.755 1.00 0.00 H new ATOM 0 HE3 LYS A 64 19.613 8.477 1.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 19.972 10.729 1.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 18.555 10.703 0.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 18.467 11.010 2.170 1.00 0.00 H new ATOM 905 N ALA A 65 12.335 7.263 0.195 1.00 0.00 N ATOM 906 CA ALA A 65 10.891 7.180 0.052 1.00 0.00 C ATOM 907 C ALA A 65 10.373 5.976 0.841 1.00 0.00 C ATOM 908 O ALA A 65 9.595 6.133 1.780 1.00 0.00 O ATOM 909 CB ALA A 65 10.527 7.106 -1.432 1.00 0.00 C ATOM 0 H ALA A 65 12.858 7.106 -0.666 1.00 0.00 H new ATOM 0 HA ALA A 65 10.414 8.071 0.460 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.444 7.044 -1.538 1.00 0.00 H new ATOM 0 HB2 ALA A 65 10.891 7.999 -1.941 1.00 0.00 H new ATOM 0 HB3 ALA A 65 10.986 6.223 -1.876 1.00 0.00 H new ATOM 915 N LEU A 66 10.827 4.801 0.430 1.00 0.00 N ATOM 916 CA LEU A 66 10.419 3.570 1.087 1.00 0.00 C ATOM 917 C LEU A 66 10.457 3.769 2.604 1.00 0.00 C ATOM 918 O LEU A 66 9.484 3.474 3.295 1.00 0.00 O ATOM 919 CB LEU A 66 11.269 2.396 0.599 1.00 0.00 C ATOM 920 CG LEU A 66 11.244 2.128 -0.907 1.00 0.00 C ATOM 921 CD1 LEU A 66 12.374 1.180 -1.315 1.00 0.00 C ATOM 922 CD2 LEU A 66 9.874 1.610 -1.348 1.00 0.00 C ATOM 0 H LEU A 66 11.473 4.675 -0.349 1.00 0.00 H new ATOM 0 HA LEU A 66 9.391 3.320 0.824 1.00 0.00 H new ATOM 0 HB2 LEU A 66 12.302 2.572 0.899 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.937 1.494 1.114 1.00 0.00 H new ATOM 0 HG LEU A 66 11.414 3.072 -1.425 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.333 1.006 -2.390 1.00 0.00 H new ATOM 0 HD12 LEU A 66 13.334 1.626 -1.056 1.00 0.00 H new ATOM 0 HD13 LEU A 66 12.261 0.232 -0.790 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.883 1.427 -2.423 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.650 0.681 -0.824 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.111 2.352 -1.112 1.00 0.00 H new ATOM 933 N MET A 67 11.590 4.268 3.074 1.00 0.00 N ATOM 934 CA MET A 67 11.768 4.511 4.496 1.00 0.00 C ATOM 935 C MET A 67 10.706 5.478 5.024 1.00 0.00 C ATOM 936 O MET A 67 10.263 5.357 6.165 1.00 0.00 O ATOM 937 CB MET A 67 13.160 5.094 4.745 1.00 0.00 C ATOM 938 CG MET A 67 14.219 3.991 4.778 1.00 0.00 C ATOM 939 SD MET A 67 15.846 4.711 4.920 1.00 0.00 S ATOM 940 CE MET A 67 16.301 4.790 3.196 1.00 0.00 C ATOM 0 H MET A 67 12.394 4.511 2.496 1.00 0.00 H new ATOM 0 HA MET A 67 11.663 3.563 5.023 1.00 0.00 H new ATOM 0 HB2 MET A 67 13.403 5.812 3.962 1.00 0.00 H new ATOM 0 HB3 MET A 67 13.167 5.638 5.690 1.00 0.00 H new ATOM 0 HG2 MET A 67 14.034 3.322 5.619 1.00 0.00 H new ATOM 0 HG3 MET A 67 14.157 3.388 3.872 1.00 0.00 H new ATOM 0 HE1 MET A 67 17.201 4.199 3.030 1.00 0.00 H new ATOM 0 HE2 MET A 67 15.489 4.393 2.587 1.00 0.00 H new ATOM 0 HE3 MET A 67 16.491 5.826 2.917 1.00 0.00 H new ATOM 948 N ALA A 68 10.330 6.418 4.169 1.00 0.00 N ATOM 949 CA ALA A 68 9.329 7.405 4.535 1.00 0.00 C ATOM 950 C ALA A 68 7.943 6.758 4.499 1.00 0.00 C ATOM 951 O ALA A 68 7.057 7.136 5.264 1.00 0.00 O ATOM 952 CB ALA A 68 9.434 8.610 3.598 1.00 0.00 C ATOM 0 H ALA A 68 10.701 6.517 3.224 1.00 0.00 H new ATOM 0 HA ALA A 68 9.498 7.765 5.550 1.00 0.00 H new ATOM 0 HB1 ALA A 68 8.683 9.351 3.872 1.00 0.00 H new ATOM 0 HB2 ALA A 68 10.427 9.051 3.683 1.00 0.00 H new ATOM 0 HB3 ALA A 68 9.267 8.287 2.570 1.00 0.00 H new ATOM 958 N ILE A 69 7.798 5.794 3.602 1.00 0.00 N ATOM 959 CA ILE A 69 6.535 5.090 3.456 1.00 0.00 C ATOM 960 C ILE A 69 6.315 4.188 4.673 1.00 0.00 C ATOM 961 O ILE A 69 5.216 4.142 5.224 1.00 0.00 O ATOM 962 CB ILE A 69 6.488 4.344 2.122 1.00 0.00 C ATOM 963 CG1 ILE A 69 6.615 5.315 0.945 1.00 0.00 C ATOM 964 CG2 ILE A 69 5.229 3.481 2.019 1.00 0.00 C ATOM 965 CD1 ILE A 69 7.374 4.673 -0.216 1.00 0.00 C ATOM 0 H ILE A 69 8.535 5.484 2.968 1.00 0.00 H new ATOM 0 HA ILE A 69 5.706 5.797 3.428 1.00 0.00 H new ATOM 0 HB ILE A 69 7.344 3.671 2.078 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.623 5.619 0.611 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.133 6.218 1.268 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.221 2.962 1.061 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.222 2.750 2.828 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.346 4.115 2.095 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.450 5.384 -1.039 1.00 0.00 H new ATOM 0 HD12 ILE A 69 8.374 4.392 0.114 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.840 3.784 -0.553 1.00 0.00 H new ATOM 976 N LEU A 70 7.378 3.496 5.056 1.00 0.00 N ATOM 977 CA LEU A 70 7.314 2.598 6.197 1.00 0.00 C ATOM 978 C LEU A 70 7.138 3.419 7.476 1.00 0.00 C ATOM 979 O LEU A 70 6.671 2.902 8.490 1.00 0.00 O ATOM 980 CB LEU A 70 8.535 1.676 6.221 1.00 0.00 C ATOM 981 CG LEU A 70 8.870 0.972 4.905 1.00 0.00 C ATOM 982 CD1 LEU A 70 10.383 0.886 4.699 1.00 0.00 C ATOM 983 CD2 LEU A 70 8.202 -0.402 4.833 1.00 0.00 C ATOM 0 H LEU A 70 8.288 3.539 4.597 1.00 0.00 H new ATOM 0 HA LEU A 70 6.448 1.941 6.118 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.402 2.262 6.528 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.377 0.916 6.986 1.00 0.00 H new ATOM 0 HG LEU A 70 8.468 1.568 4.086 1.00 0.00 H new ATOM 0 HD11 LEU A 70 10.594 0.381 3.756 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.805 1.891 4.675 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.831 0.325 5.519 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.456 -0.881 3.888 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.552 -1.021 5.659 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.120 -0.285 4.901 1.00 0.00 H new ATOM 994 N GLU A 71 7.522 4.684 7.387 1.00 0.00 N ATOM 995 CA GLU A 71 7.412 5.581 8.526 1.00 0.00 C ATOM 996 C GLU A 71 6.074 6.324 8.488 1.00 0.00 C ATOM 997 O GLU A 71 5.449 6.534 9.526 1.00 0.00 O ATOM 998 CB GLU A 71 8.584 6.564 8.564 1.00 0.00 C ATOM 999 CG GLU A 71 9.794 5.946 9.266 1.00 0.00 C ATOM 1000 CD GLU A 71 10.677 7.028 9.891 1.00 0.00 C ATOM 1001 OE1 GLU A 71 11.490 7.604 9.135 1.00 0.00 O ATOM 1002 OE2 GLU A 71 10.520 7.256 11.110 1.00 0.00 O ATOM 0 H GLU A 71 7.909 5.109 6.545 1.00 0.00 H new ATOM 0 HA GLU A 71 7.450 4.986 9.438 1.00 0.00 H new ATOM 0 HB2 GLU A 71 8.856 6.851 7.548 1.00 0.00 H new ATOM 0 HB3 GLU A 71 8.283 7.474 9.083 1.00 0.00 H new ATOM 0 HG2 GLU A 71 9.457 5.255 10.039 1.00 0.00 H new ATOM 0 HG3 GLU A 71 10.376 5.365 8.551 1.00 0.00 H new ATOM 1007 N HIS A 72 5.677 6.701 7.282 1.00 0.00 N ATOM 1008 CA HIS A 72 4.425 7.416 7.097 1.00 0.00 C ATOM 1009 C HIS A 72 3.273 6.415 6.986 1.00 0.00 C ATOM 1010 O HIS A 72 2.106 6.798 7.033 1.00 0.00 O ATOM 1011 CB HIS A 72 4.510 8.357 5.894 1.00 0.00 C ATOM 1012 CG HIS A 72 5.495 9.488 6.068 1.00 0.00 C ATOM 1013 ND1 HIS A 72 5.233 10.782 5.653 1.00 0.00 N ATOM 1014 CD2 HIS A 72 6.744 9.507 6.616 1.00 0.00 C ATOM 1015 CE1 HIS A 72 6.282 11.536 5.943 1.00 0.00 C ATOM 1016 NE2 HIS A 72 7.218 10.744 6.539 1.00 0.00 N ATOM 0 H HIS A 72 6.199 6.525 6.424 1.00 0.00 H new ATOM 0 HA HIS A 72 4.230 8.046 7.965 1.00 0.00 H new ATOM 0 HB2 HIS A 72 4.788 7.779 5.013 1.00 0.00 H new ATOM 0 HB3 HIS A 72 3.522 8.775 5.702 1.00 0.00 H new ATOM 0 HD2 HIS A 72 7.260 8.659 7.041 1.00 0.00 H new ATOM 0 HE1 HIS A 72 6.379 12.593 5.743 1.00 0.00 H new ATOM 0 HE2 HIS A 72 8.132 11.052 6.871 1.00 0.00 H new ATOM 1023 N SER A 73 3.643 5.151 6.840 1.00 0.00 N ATOM 1024 CA SER A 73 2.656 4.091 6.722 1.00 0.00 C ATOM 1025 C SER A 73 1.540 4.299 7.748 1.00 0.00 C ATOM 1026 O SER A 73 0.360 4.264 7.402 1.00 0.00 O ATOM 1027 CB SER A 73 3.298 2.716 6.909 1.00 0.00 C ATOM 1028 OG SER A 73 2.952 2.130 8.160 1.00 0.00 O ATOM 0 H SER A 73 4.613 4.837 6.801 1.00 0.00 H new ATOM 0 HA SER A 73 2.232 4.130 5.719 1.00 0.00 H new ATOM 0 HB2 SER A 73 2.983 2.056 6.100 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.382 2.810 6.840 1.00 0.00 H new ATOM 0 HG SER A 73 3.381 1.252 8.240 1.00 0.00 H new ATOM 1033 N HIS A 74 1.953 4.511 8.989 1.00 0.00 N ATOM 1034 CA HIS A 74 1.002 4.724 10.067 1.00 0.00 C ATOM 1035 C HIS A 74 -0.119 5.649 9.589 1.00 0.00 C ATOM 1036 O HIS A 74 -1.243 5.573 10.080 1.00 0.00 O ATOM 1037 CB HIS A 74 1.710 5.248 11.319 1.00 0.00 C ATOM 1038 CG HIS A 74 2.077 6.710 11.250 1.00 0.00 C ATOM 1039 ND1 HIS A 74 1.669 7.632 12.199 1.00 0.00 N ATOM 1040 CD2 HIS A 74 2.818 7.402 10.337 1.00 0.00 C ATOM 1041 CE1 HIS A 74 2.149 8.820 11.862 1.00 0.00 C ATOM 1042 NE2 HIS A 74 2.860 8.675 10.707 1.00 0.00 N ATOM 0 H HIS A 74 2.933 4.540 9.272 1.00 0.00 H new ATOM 0 HA HIS A 74 0.546 3.774 10.347 1.00 0.00 H new ATOM 0 HB2 HIS A 74 1.065 5.086 12.183 1.00 0.00 H new ATOM 0 HB3 HIS A 74 2.616 4.664 11.483 1.00 0.00 H new ATOM 0 HD2 HIS A 74 3.291 6.984 9.461 1.00 0.00 H new ATOM 0 HE1 HIS A 74 2.003 9.741 12.406 1.00 0.00 H new ATOM 0 HE2 HIS A 74 3.344 9.422 10.210 1.00 0.00 H new ATOM 1049 N ARG A 75 0.229 6.502 8.636 1.00 0.00 N ATOM 1050 CA ARG A 75 -0.733 7.441 8.086 1.00 0.00 C ATOM 1051 C ARG A 75 -1.368 6.868 6.816 1.00 0.00 C ATOM 1052 O ARG A 75 -2.561 7.051 6.578 1.00 0.00 O ATOM 1053 CB ARG A 75 -0.070 8.780 7.756 1.00 0.00 C ATOM 1054 CG ARG A 75 0.959 9.159 8.822 1.00 0.00 C ATOM 1055 CD ARG A 75 0.959 10.668 9.073 1.00 0.00 C ATOM 1056 NE ARG A 75 -0.397 11.115 9.467 1.00 0.00 N ATOM 1057 CZ ARG A 75 -0.681 12.343 9.920 1.00 0.00 C ATOM 1058 NH1 ARG A 75 0.295 13.254 10.041 1.00 0.00 N ATOM 1059 NH2 ARG A 75 -1.939 12.660 10.254 1.00 0.00 N ATOM 0 H ARG A 75 1.163 6.562 8.231 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.503 7.606 8.840 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.416 8.719 6.782 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -0.830 9.559 7.686 1.00 0.00 H new ATOM 0 HG2 ARG A 75 0.737 8.632 9.750 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.952 8.840 8.504 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.675 10.915 9.857 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.278 11.195 8.174 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.163 10.446 9.388 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.253 13.012 9.788 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.080 14.189 10.386 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.681 11.966 10.163 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.155 13.595 10.599 1.00 0.00 H new ATOM 1070 N ILE A 76 -0.543 6.186 6.037 1.00 0.00 N ATOM 1071 CA ILE A 76 -1.009 5.584 4.798 1.00 0.00 C ATOM 1072 C ILE A 76 -2.354 4.898 5.044 1.00 0.00 C ATOM 1073 O ILE A 76 -2.469 4.053 5.930 1.00 0.00 O ATOM 1074 CB ILE A 76 0.060 4.656 4.218 1.00 0.00 C ATOM 1075 CG1 ILE A 76 1.340 5.428 3.893 1.00 0.00 C ATOM 1076 CG2 ILE A 76 -0.475 3.896 3.004 1.00 0.00 C ATOM 1077 CD1 ILE A 76 2.408 4.499 3.311 1.00 0.00 C ATOM 0 H ILE A 76 0.446 6.036 6.239 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.176 6.350 4.041 1.00 0.00 H new ATOM 0 HB ILE A 76 0.316 3.915 4.975 1.00 0.00 H new ATOM 0 HG12 ILE A 76 1.118 6.224 3.182 1.00 0.00 H new ATOM 0 HG13 ILE A 76 1.721 5.905 4.796 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.305 3.243 2.611 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.335 3.296 3.301 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.776 4.606 2.234 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.308 5.073 3.089 1.00 0.00 H new ATOM 0 HD12 ILE A 76 2.645 3.719 4.034 1.00 0.00 H new ATOM 0 HD13 ILE A 76 2.033 4.043 2.395 1.00 0.00 H new ATOM 1088 N ARG A 77 -3.335 5.286 4.244 1.00 0.00 N ATOM 1089 CA ARG A 77 -4.667 4.718 4.363 1.00 0.00 C ATOM 1090 C ARG A 77 -5.264 4.469 2.977 1.00 0.00 C ATOM 1091 O ARG A 77 -5.234 5.348 2.116 1.00 0.00 O ATOM 1092 CB ARG A 77 -5.593 5.646 5.150 1.00 0.00 C ATOM 1093 CG ARG A 77 -5.319 5.550 6.653 1.00 0.00 C ATOM 1094 CD ARG A 77 -6.228 4.508 7.309 1.00 0.00 C ATOM 1095 NE ARG A 77 -5.410 3.502 8.024 1.00 0.00 N ATOM 1096 CZ ARG A 77 -5.919 2.462 8.698 1.00 0.00 C ATOM 1097 NH1 ARG A 77 -7.246 2.285 8.754 1.00 0.00 N ATOM 1098 NH2 ARG A 77 -5.101 1.599 9.316 1.00 0.00 N ATOM 0 H ARG A 77 -3.234 5.987 3.510 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.577 3.773 4.899 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -5.452 6.674 4.816 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -6.632 5.385 4.949 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -4.275 5.284 6.820 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -5.479 6.522 7.119 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -6.911 4.995 8.005 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -6.841 4.019 6.552 1.00 0.00 H new ATOM 0 HE ARG A 77 -4.396 3.607 8.002 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -7.868 2.942 8.284 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -7.634 1.493 9.267 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -4.091 1.734 9.273 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -5.489 0.807 9.829 1.00 0.00 H new ATOM 1109 N PHE A 78 -5.792 3.266 2.802 1.00 0.00 N ATOM 1110 CA PHE A 78 -6.395 2.890 1.535 1.00 0.00 C ATOM 1111 C PHE A 78 -7.886 3.234 1.514 1.00 0.00 C ATOM 1112 O PHE A 78 -8.555 3.170 2.543 1.00 0.00 O ATOM 1113 CB PHE A 78 -6.231 1.376 1.393 1.00 0.00 C ATOM 1114 CG PHE A 78 -4.853 0.943 0.888 1.00 0.00 C ATOM 1115 CD1 PHE A 78 -3.729 1.438 1.471 1.00 0.00 C ATOM 1116 CD2 PHE A 78 -4.753 0.064 -0.145 1.00 0.00 C ATOM 1117 CE1 PHE A 78 -2.450 1.037 1.002 1.00 0.00 C ATOM 1118 CE2 PHE A 78 -3.474 -0.337 -0.614 1.00 0.00 C ATOM 1119 CZ PHE A 78 -2.349 0.158 -0.031 1.00 0.00 C ATOM 0 H PHE A 78 -5.814 2.539 3.517 1.00 0.00 H new ATOM 0 HA PHE A 78 -5.913 3.429 0.719 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -6.415 0.909 2.360 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -6.992 1.001 0.708 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -3.809 2.136 2.291 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -5.646 -0.329 -0.608 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.557 1.430 1.466 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -3.394 -1.035 -1.434 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.376 -0.147 -0.388 1.00 0.00 H new ATOM 1128 N LYS A 79 -8.362 3.591 0.330 1.00 0.00 N ATOM 1129 CA LYS A 79 -9.760 3.945 0.161 1.00 0.00 C ATOM 1130 C LYS A 79 -10.321 3.221 -1.065 1.00 0.00 C ATOM 1131 O LYS A 79 -9.875 3.458 -2.188 1.00 0.00 O ATOM 1132 CB LYS A 79 -9.926 5.465 0.107 1.00 0.00 C ATOM 1133 CG LYS A 79 -10.278 6.026 1.487 1.00 0.00 C ATOM 1134 CD LYS A 79 -11.793 6.072 1.690 1.00 0.00 C ATOM 1135 CE LYS A 79 -12.384 7.366 1.127 1.00 0.00 C ATOM 1136 NZ LYS A 79 -12.495 8.390 2.189 1.00 0.00 N ATOM 0 H LYS A 79 -7.803 3.643 -0.522 1.00 0.00 H new ATOM 0 HA LYS A 79 -10.343 3.615 1.021 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.004 5.923 -0.252 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -10.709 5.724 -0.606 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.822 5.409 2.261 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -9.863 7.028 1.593 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -12.255 5.214 1.201 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -12.023 5.995 2.753 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -11.755 7.739 0.319 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -13.367 7.168 0.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -12.898 9.262 1.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -13.114 8.038 2.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -11.551 8.591 2.577 1.00 0.00 H new ATOM 1146 N LEU A 80 -11.289 2.355 -0.810 1.00 0.00 N ATOM 1147 CA LEU A 80 -11.915 1.595 -1.880 1.00 0.00 C ATOM 1148 C LEU A 80 -13.119 2.373 -2.415 1.00 0.00 C ATOM 1149 O LEU A 80 -13.658 3.239 -1.727 1.00 0.00 O ATOM 1150 CB LEU A 80 -12.258 0.182 -1.403 1.00 0.00 C ATOM 1151 CG LEU A 80 -11.110 -0.830 -1.426 1.00 0.00 C ATOM 1152 CD1 LEU A 80 -11.591 -2.213 -0.982 1.00 0.00 C ATOM 1153 CD2 LEU A 80 -10.441 -0.870 -2.800 1.00 0.00 C ATOM 0 H LEU A 80 -11.656 2.162 0.122 1.00 0.00 H new ATOM 0 HA LEU A 80 -11.223 1.466 -2.712 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -12.639 0.246 -0.384 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -13.068 -0.203 -2.023 1.00 0.00 H new ATOM 0 HG LEU A 80 -10.354 -0.506 -0.710 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -10.757 -2.914 -1.007 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -11.984 -2.153 0.033 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -12.376 -2.559 -1.655 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -9.629 -1.597 -2.788 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -11.174 -1.157 -3.554 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -10.042 0.116 -3.039 1.00 0.00 H new ATOM 1164 N LYS A 81 -13.505 2.036 -3.637 1.00 0.00 N ATOM 1165 CA LYS A 81 -14.636 2.692 -4.272 1.00 0.00 C ATOM 1166 C LYS A 81 -15.900 2.429 -3.450 1.00 0.00 C ATOM 1167 O LYS A 81 -16.859 3.195 -3.519 1.00 0.00 O ATOM 1168 CB LYS A 81 -14.752 2.261 -5.735 1.00 0.00 C ATOM 1169 CG LYS A 81 -15.216 0.807 -5.843 1.00 0.00 C ATOM 1170 CD LYS A 81 -16.132 0.613 -7.054 1.00 0.00 C ATOM 1171 CE LYS A 81 -17.077 -0.572 -6.841 1.00 0.00 C ATOM 1172 NZ LYS A 81 -18.002 -0.709 -7.987 1.00 0.00 N ATOM 0 H LYS A 81 -13.055 1.318 -4.204 1.00 0.00 H new ATOM 0 HA LYS A 81 -14.489 3.772 -4.293 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -15.456 2.911 -6.255 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -13.787 2.376 -6.229 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -14.350 0.150 -5.928 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -15.744 0.521 -4.933 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -16.712 1.520 -7.225 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -15.530 0.447 -7.947 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -16.499 -1.488 -6.721 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -17.646 -0.431 -5.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -18.636 -1.517 -7.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -18.566 0.159 -8.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -17.455 -0.865 -8.858 1.00 0.00 H new