USER MOD reduce.3.24.130724 H: found=0, std=0, add=682, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 685 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 58 ASN : amide:sc= -0.165 K(o=1.1,f=-0.22!) USER MOD Set 1.2: A 59 THR OG1 : rot 94:sc= 1.28 USER MOD Set 2.1: A 20 ASN : amide:sc= 1.18 K(o=2.4,f=1.1) USER MOD Set 2.2: A 69 SER OG : rot -106:sc= 1.25 USER MOD Set 3.1: A 17 GLN : amide:sc= 0.589 K(o=1.7,f=-2.2!) USER MOD Set 3.2: A 72 THR OG1 : rot 130:sc= 1.15 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0.0777 K(o=0.078,f=-0.62) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 70:sc= 1.01 USER MOD Single : A 30 SER OG : rot 13:sc= 0.456 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 5:sc= 0.423 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0.0329 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 77 CYS SG : rot -77:sc= -4.21! USER MOD Single : A 79 CYS SG : rot -78:sc= 0.39 USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.138 USER MOD Single : A 91 GLN : amide:sc= -0.0125 X(o=-0.013,f=0) USER MOD ----------------------------------------------------------------- ATOM 76 N GLU A 8 7.181 12.234 3.791 1.00 0.00 N ATOM 77 CA GLU A 8 5.846 12.822 3.763 1.00 0.00 C ATOM 78 C GLU A 8 4.765 11.756 3.577 1.00 0.00 C ATOM 79 O GLU A 8 3.584 12.055 3.676 1.00 0.00 O ATOM 80 CB GLU A 8 5.750 13.886 2.658 1.00 0.00 C ATOM 81 CG GLU A 8 5.787 13.411 1.191 1.00 0.00 C ATOM 82 CD GLU A 8 7.207 13.271 0.633 1.00 0.00 C ATOM 83 OE1 GLU A 8 7.982 12.468 1.172 1.00 0.00 O ATOM 84 OE2 GLU A 8 7.502 13.981 -0.371 1.00 0.00 O ATOM 0 HA GLU A 8 5.675 13.301 4.727 1.00 0.00 H new ATOM 0 HB2 GLU A 8 4.823 14.439 2.807 1.00 0.00 H new ATOM 0 HB3 GLU A 8 6.569 14.591 2.801 1.00 0.00 H new ATOM 0 HG2 GLU A 8 5.278 12.450 1.115 1.00 0.00 H new ATOM 0 HG3 GLU A 8 5.230 14.116 0.574 1.00 0.00 H new ATOM 91 N TYR A 9 5.150 10.503 3.336 1.00 0.00 N ATOM 92 CA TYR A 9 4.233 9.379 3.225 1.00 0.00 C ATOM 93 C TYR A 9 3.362 9.283 4.479 1.00 0.00 C ATOM 94 O TYR A 9 2.166 9.033 4.380 1.00 0.00 O ATOM 95 CB TYR A 9 5.021 8.077 3.047 1.00 0.00 C ATOM 96 CG TYR A 9 6.097 8.023 1.973 1.00 0.00 C ATOM 97 CD1 TYR A 9 6.113 8.886 0.852 1.00 0.00 C ATOM 98 CD2 TYR A 9 7.090 7.036 2.107 1.00 0.00 C ATOM 99 CE1 TYR A 9 7.147 8.764 -0.104 1.00 0.00 C ATOM 100 CE2 TYR A 9 8.091 6.892 1.137 1.00 0.00 C ATOM 101 CZ TYR A 9 8.132 7.755 0.027 1.00 0.00 C ATOM 102 OH TYR A 9 9.133 7.590 -0.882 1.00 0.00 O ATOM 0 H TYR A 9 6.128 10.240 3.211 1.00 0.00 H new ATOM 0 HA TYR A 9 3.593 9.535 2.357 1.00 0.00 H new ATOM 0 HB2 TYR A 9 5.492 7.841 4.001 1.00 0.00 H new ATOM 0 HB3 TYR A 9 4.305 7.281 2.840 1.00 0.00 H new ATOM 0 HD1 TYR A 9 5.342 9.632 0.728 1.00 0.00 H new ATOM 0 HD2 TYR A 9 7.081 6.382 2.967 1.00 0.00 H new ATOM 0 HE1 TYR A 9 7.186 9.446 -0.941 1.00 0.00 H new ATOM 0 HE2 TYR A 9 8.834 6.115 1.242 1.00 0.00 H new ATOM 0 HH TYR A 9 9.704 6.843 -0.607 1.00 0.00 H new ATOM 112 N GLY A 10 3.947 9.524 5.656 1.00 0.00 N ATOM 113 CA GLY A 10 3.239 9.470 6.925 1.00 0.00 C ATOM 114 C GLY A 10 2.188 10.576 7.071 1.00 0.00 C ATOM 115 O GLY A 10 1.334 10.500 7.955 1.00 0.00 O ATOM 0 H GLY A 10 4.934 9.764 5.749 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.753 8.499 7.023 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.958 9.550 7.740 1.00 0.00 H new ATOM 119 N ARG A 11 2.205 11.594 6.201 1.00 0.00 N ATOM 120 CA ARG A 11 1.148 12.597 6.135 1.00 0.00 C ATOM 121 C ARG A 11 -0.148 11.991 5.594 1.00 0.00 C ATOM 122 O ARG A 11 -1.209 12.566 5.818 1.00 0.00 O ATOM 123 CB ARG A 11 1.590 13.803 5.291 1.00 0.00 C ATOM 124 CG ARG A 11 2.867 14.471 5.819 1.00 0.00 C ATOM 125 CD ARG A 11 2.710 15.979 6.035 1.00 0.00 C ATOM 126 NE ARG A 11 3.851 16.514 6.785 1.00 0.00 N ATOM 127 CZ ARG A 11 5.113 16.663 6.375 1.00 0.00 C ATOM 128 NH1 ARG A 11 5.417 16.608 5.079 1.00 0.00 N ATOM 129 NH2 ARG A 11 6.054 16.839 7.293 1.00 0.00 N ATOM 0 H ARG A 11 2.955 11.741 5.525 1.00 0.00 H new ATOM 0 HA ARG A 11 0.953 12.950 7.148 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.755 13.479 4.263 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.785 14.538 5.268 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.152 14.003 6.761 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.680 14.293 5.116 1.00 0.00 H new ATOM 0 HD2 ARG A 11 2.632 16.484 5.072 1.00 0.00 H new ATOM 0 HD3 ARG A 11 1.785 16.180 6.576 1.00 0.00 H new ATOM 0 HE ARG A 11 3.656 16.810 7.741 1.00 0.00 H new ATOM 0 HH11 ARG A 11 4.682 16.451 4.389 1.00 0.00 H new ATOM 0 HH12 ARG A 11 6.384 16.723 4.777 1.00 0.00 H new ATOM 0 HH21 ARG A 11 5.805 16.858 8.282 1.00 0.00 H new ATOM 0 HH22 ARG A 11 7.027 16.956 7.010 1.00 0.00 H new ATOM 143 N TYR A 12 -0.065 10.882 4.851 1.00 0.00 N ATOM 144 CA TYR A 12 -1.165 10.299 4.098 1.00 0.00 C ATOM 145 C TYR A 12 -1.475 8.853 4.458 1.00 0.00 C ATOM 146 O TYR A 12 -2.570 8.371 4.181 1.00 0.00 O ATOM 147 CB TYR A 12 -0.789 10.285 2.626 1.00 0.00 C ATOM 148 CG TYR A 12 -0.264 11.570 2.020 1.00 0.00 C ATOM 149 CD1 TYR A 12 -0.626 12.831 2.513 1.00 0.00 C ATOM 150 CD2 TYR A 12 0.659 11.474 0.975 1.00 0.00 C ATOM 151 CE1 TYR A 12 -0.054 13.995 1.976 1.00 0.00 C ATOM 152 CE2 TYR A 12 1.239 12.629 0.419 1.00 0.00 C ATOM 153 CZ TYR A 12 0.869 13.902 0.909 1.00 0.00 C ATOM 154 OH TYR A 12 1.368 15.027 0.324 1.00 0.00 O ATOM 0 H TYR A 12 0.802 10.353 4.759 1.00 0.00 H new ATOM 0 HA TYR A 12 -2.038 10.908 4.332 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -0.034 9.513 2.480 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -1.669 9.982 2.058 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -1.350 12.908 3.311 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.930 10.502 0.590 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -0.319 14.962 2.378 1.00 0.00 H new ATOM 0 HE2 TYR A 12 1.963 12.543 -0.378 1.00 0.00 H new ATOM 0 HH TYR A 12 1.989 14.776 -0.391 1.00 0.00 H new ATOM 164 N PHE A 13 -0.502 8.129 4.987 1.00 0.00 N ATOM 165 CA PHE A 13 -0.670 6.780 5.490 1.00 0.00 C ATOM 166 C PHE A 13 -0.502 6.832 6.993 1.00 0.00 C ATOM 167 O PHE A 13 0.591 6.999 7.535 1.00 0.00 O ATOM 168 CB PHE A 13 0.307 5.810 4.829 1.00 0.00 C ATOM 169 CG PHE A 13 0.306 5.802 3.312 1.00 0.00 C ATOM 170 CD1 PHE A 13 -0.711 5.134 2.610 1.00 0.00 C ATOM 171 CD2 PHE A 13 1.338 6.431 2.594 1.00 0.00 C ATOM 172 CE1 PHE A 13 -0.688 5.088 1.203 1.00 0.00 C ATOM 173 CE2 PHE A 13 1.337 6.425 1.190 1.00 0.00 C ATOM 174 CZ PHE A 13 0.318 5.759 0.495 1.00 0.00 C ATOM 0 H PHE A 13 0.453 8.476 5.080 1.00 0.00 H new ATOM 0 HA PHE A 13 -1.663 6.402 5.246 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.314 6.049 5.171 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.082 4.803 5.179 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.513 4.654 3.151 1.00 0.00 H new ATOM 0 HD2 PHE A 13 2.138 6.923 3.127 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.446 4.535 0.669 1.00 0.00 H new ATOM 0 HE2 PHE A 13 2.120 6.933 0.646 1.00 0.00 H new ATOM 0 HZ PHE A 13 0.308 5.763 -0.585 1.00 0.00 H new ATOM 184 N GLU A 14 -1.640 6.696 7.643 1.00 0.00 N ATOM 185 CA GLU A 14 -1.793 6.486 9.060 1.00 0.00 C ATOM 186 C GLU A 14 -1.725 4.992 9.362 1.00 0.00 C ATOM 187 O GLU A 14 -2.011 4.147 8.515 1.00 0.00 O ATOM 188 CB GLU A 14 -3.163 7.025 9.466 1.00 0.00 C ATOM 189 CG GLU A 14 -3.076 8.332 10.258 1.00 0.00 C ATOM 190 CD GLU A 14 -4.436 9.024 10.269 1.00 0.00 C ATOM 191 OE1 GLU A 14 -5.357 8.524 10.949 1.00 0.00 O ATOM 192 OE2 GLU A 14 -4.592 10.043 9.549 1.00 0.00 O ATOM 0 H GLU A 14 -2.538 6.732 7.160 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.002 6.995 9.611 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.764 7.187 8.571 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -3.680 6.276 10.066 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.754 8.128 11.279 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.328 8.988 9.813 1.00 0.00 H new ATOM 199 N GLN A 15 -1.452 4.696 10.624 1.00 0.00 N ATOM 200 CA GLN A 15 -1.185 3.370 11.178 1.00 0.00 C ATOM 201 C GLN A 15 -2.361 2.399 11.091 1.00 0.00 C ATOM 202 O GLN A 15 -2.148 1.197 11.185 1.00 0.00 O ATOM 203 CB GLN A 15 -0.766 3.600 12.632 1.00 0.00 C ATOM 204 CG GLN A 15 -0.555 2.321 13.447 1.00 0.00 C ATOM 205 CD GLN A 15 0.153 2.572 14.772 1.00 0.00 C ATOM 206 OE1 GLN A 15 0.341 3.714 15.198 1.00 0.00 O ATOM 207 NE2 GLN A 15 0.580 1.506 15.424 1.00 0.00 N ATOM 0 H GLN A 15 -1.407 5.422 11.339 1.00 0.00 H new ATOM 0 HA GLN A 15 -0.406 2.886 10.588 1.00 0.00 H new ATOM 0 HB2 GLN A 15 0.158 4.178 12.642 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -1.527 4.206 13.124 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -1.522 1.856 13.640 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.028 1.613 12.858 1.00 0.00 H new ATOM 0 HE21 GLN A 15 0.409 0.574 15.046 1.00 0.00 H new ATOM 0 HE22 GLN A 15 1.081 1.614 16.306 1.00 0.00 H new ATOM 216 N LEU A 16 -3.582 2.896 10.920 1.00 0.00 N ATOM 217 CA LEU A 16 -4.808 2.104 10.887 1.00 0.00 C ATOM 218 C LEU A 16 -5.595 2.362 9.601 1.00 0.00 C ATOM 219 O LEU A 16 -6.699 1.839 9.444 1.00 0.00 O ATOM 220 CB LEU A 16 -5.679 2.424 12.119 1.00 0.00 C ATOM 221 CG LEU A 16 -5.006 2.271 13.499 1.00 0.00 C ATOM 222 CD1 LEU A 16 -6.044 2.562 14.585 1.00 0.00 C ATOM 223 CD2 LEU A 16 -4.423 0.880 13.758 1.00 0.00 C ATOM 0 H LEU A 16 -3.751 3.894 10.796 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.533 1.049 10.909 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.037 3.449 12.026 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.556 1.777 12.094 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.173 2.974 13.517 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.582 2.458 15.567 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.419 3.579 14.467 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.871 1.857 14.496 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.968 0.855 14.748 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.218 0.136 13.705 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.667 0.657 13.006 1.00 0.00 H new ATOM 235 N GLN A 17 -5.075 3.195 8.691 1.00 0.00 N ATOM 236 CA GLN A 17 -5.724 3.443 7.408 1.00 0.00 C ATOM 237 C GLN A 17 -5.626 2.206 6.516 1.00 0.00 C ATOM 238 O GLN A 17 -5.010 1.205 6.870 1.00 0.00 O ATOM 239 CB GLN A 17 -5.140 4.710 6.752 1.00 0.00 C ATOM 240 CG GLN A 17 -6.175 5.849 6.856 1.00 0.00 C ATOM 241 CD GLN A 17 -5.707 7.219 6.368 1.00 0.00 C ATOM 242 OE1 GLN A 17 -6.418 8.211 6.519 1.00 0.00 O ATOM 243 NE2 GLN A 17 -4.544 7.309 5.760 1.00 0.00 N ATOM 0 H GLN A 17 -4.204 3.708 8.825 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.786 3.632 7.563 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.212 4.997 7.247 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.897 4.516 5.707 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -7.059 5.564 6.286 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -6.483 5.941 7.898 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -3.965 6.478 5.642 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.222 8.210 5.407 1.00 0.00 H new ATOM 252 N LYS A 18 -6.254 2.265 5.343 1.00 0.00 N ATOM 253 CA LYS A 18 -6.272 1.170 4.388 1.00 0.00 C ATOM 254 C LYS A 18 -5.507 1.582 3.153 1.00 0.00 C ATOM 255 O LYS A 18 -5.617 2.729 2.734 1.00 0.00 O ATOM 256 CB LYS A 18 -7.714 0.843 3.997 1.00 0.00 C ATOM 257 CG LYS A 18 -8.514 0.187 5.127 1.00 0.00 C ATOM 258 CD LYS A 18 -9.429 1.165 5.880 1.00 0.00 C ATOM 259 CE LYS A 18 -10.616 1.581 5.005 1.00 0.00 C ATOM 260 NZ LYS A 18 -11.293 2.792 5.503 1.00 0.00 N ATOM 0 H LYS A 18 -6.770 3.087 5.030 1.00 0.00 H new ATOM 0 HA LYS A 18 -5.813 0.290 4.839 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -8.217 1.760 3.690 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -7.707 0.179 3.133 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -9.120 -0.618 4.712 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -7.821 -0.268 5.835 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.792 0.699 6.796 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.861 2.048 6.175 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.268 1.757 3.987 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -11.333 0.762 4.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -12.087 3.029 4.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -11.651 2.619 6.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.619 3.584 5.522 1.00 0.00 H new ATOM 274 N VAL A 19 -4.807 0.647 2.530 1.00 0.00 N ATOM 275 CA VAL A 19 -4.099 0.855 1.268 1.00 0.00 C ATOM 276 C VAL A 19 -4.471 -0.273 0.317 1.00 0.00 C ATOM 277 O VAL A 19 -4.464 -1.438 0.730 1.00 0.00 O ATOM 278 CB VAL A 19 -2.591 0.990 1.478 1.00 0.00 C ATOM 279 CG1 VAL A 19 -2.314 2.276 2.263 1.00 0.00 C ATOM 280 CG2 VAL A 19 -1.860 -0.164 2.167 1.00 0.00 C ATOM 0 H VAL A 19 -4.711 -0.301 2.893 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.406 1.801 0.821 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.189 0.994 0.465 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.241 2.383 2.419 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.686 3.133 1.701 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.818 2.229 3.228 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.799 0.073 2.246 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.274 -0.313 3.164 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.985 -1.075 1.582 1.00 0.00 H new ATOM 290 N ASN A 20 -4.816 0.029 -0.945 1.00 0.00 N ATOM 291 CA ASN A 20 -5.021 -0.994 -1.971 1.00 0.00 C ATOM 292 C ASN A 20 -3.792 -1.902 -2.037 1.00 0.00 C ATOM 293 O ASN A 20 -2.697 -1.482 -1.669 1.00 0.00 O ATOM 294 CB ASN A 20 -5.260 -0.356 -3.351 1.00 0.00 C ATOM 295 CG ASN A 20 -6.722 -0.224 -3.731 1.00 0.00 C ATOM 296 OD1 ASN A 20 -7.190 0.889 -3.950 1.00 0.00 O ATOM 297 ND2 ASN A 20 -7.446 -1.315 -3.872 1.00 0.00 N ATOM 0 H ASN A 20 -4.959 0.983 -1.276 1.00 0.00 H new ATOM 0 HA ASN A 20 -5.903 -1.576 -1.704 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -4.802 0.633 -3.366 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -4.752 -0.954 -4.108 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -8.419 -1.246 -4.170 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -7.034 -2.229 -3.684 1.00 0.00 H new ATOM 304 N LEU A 21 -3.948 -3.124 -2.545 1.00 0.00 N ATOM 305 CA LEU A 21 -2.944 -4.172 -2.400 1.00 0.00 C ATOM 306 C LEU A 21 -2.291 -4.587 -3.702 1.00 0.00 C ATOM 307 O LEU A 21 -1.456 -5.468 -3.709 1.00 0.00 O ATOM 308 CB LEU A 21 -3.530 -5.392 -1.667 1.00 0.00 C ATOM 309 CG LEU A 21 -3.933 -5.145 -0.210 1.00 0.00 C ATOM 310 CD1 LEU A 21 -4.478 -6.459 0.365 1.00 0.00 C ATOM 311 CD2 LEU A 21 -2.755 -4.667 0.652 1.00 0.00 C ATOM 0 H LEU A 21 -4.774 -3.413 -3.068 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.147 -3.737 -1.797 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.405 -5.740 -2.216 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.797 -6.198 -1.693 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.686 -4.357 -0.193 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.772 -6.307 1.404 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.344 -6.778 -0.214 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.705 -7.226 0.315 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.094 -4.507 1.675 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.969 -5.422 0.645 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.365 -3.733 0.249 1.00 0.00 H new ATOM 323 N THR A 22 -2.646 -3.895 -4.785 1.00 0.00 N ATOM 324 CA THR A 22 -2.602 -4.356 -6.160 1.00 0.00 C ATOM 325 C THR A 22 -1.299 -5.104 -6.509 1.00 0.00 C ATOM 326 O THR A 22 -0.308 -4.458 -6.805 1.00 0.00 O ATOM 327 CB THR A 22 -2.803 -3.151 -7.125 1.00 0.00 C ATOM 328 OG1 THR A 22 -3.289 -1.978 -6.471 1.00 0.00 O ATOM 329 CG2 THR A 22 -3.709 -3.551 -8.283 1.00 0.00 C ATOM 0 H THR A 22 -2.993 -2.938 -4.713 1.00 0.00 H new ATOM 0 HA THR A 22 -3.413 -5.074 -6.280 1.00 0.00 H new ATOM 0 HB THR A 22 -1.819 -2.888 -7.513 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.589 -1.613 -5.891 1.00 0.00 H new ATOM 0 HG21 THR A 22 -3.842 -2.700 -8.951 1.00 0.00 H new ATOM 0 HG22 THR A 22 -3.255 -4.376 -8.832 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.679 -3.863 -7.895 1.00 0.00 H new ATOM 337 N VAL A 23 -1.274 -6.442 -6.450 1.00 0.00 N ATOM 338 CA VAL A 23 -0.112 -7.267 -6.747 1.00 0.00 C ATOM 339 C VAL A 23 -0.161 -7.653 -8.221 1.00 0.00 C ATOM 340 O VAL A 23 -1.153 -8.255 -8.642 1.00 0.00 O ATOM 341 CB VAL A 23 -0.091 -8.539 -5.861 1.00 0.00 C ATOM 342 CG1 VAL A 23 1.182 -9.366 -6.071 1.00 0.00 C ATOM 343 CG2 VAL A 23 -0.162 -8.218 -4.367 1.00 0.00 C ATOM 0 H VAL A 23 -2.092 -6.991 -6.185 1.00 0.00 H new ATOM 0 HA VAL A 23 0.796 -6.703 -6.534 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.973 -9.101 -6.168 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.153 -10.247 -5.430 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.246 -9.677 -7.114 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.054 -8.762 -5.819 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.144 -9.145 -3.794 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.692 -7.601 -4.086 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.085 -7.678 -4.154 1.00 0.00 H new ATOM 353 N ARG A 24 0.867 -7.349 -9.015 1.00 0.00 N ATOM 354 CA ARG A 24 0.960 -7.885 -10.375 1.00 0.00 C ATOM 355 C ARG A 24 1.203 -9.389 -10.294 1.00 0.00 C ATOM 356 O ARG A 24 2.051 -9.805 -9.503 1.00 0.00 O ATOM 357 CB ARG A 24 2.060 -7.155 -11.165 1.00 0.00 C ATOM 358 CG ARG A 24 3.448 -7.806 -11.211 1.00 0.00 C ATOM 359 CD ARG A 24 4.477 -6.798 -11.723 1.00 0.00 C ATOM 360 NE ARG A 24 5.425 -7.404 -12.665 1.00 0.00 N ATOM 361 CZ ARG A 24 6.205 -6.695 -13.481 1.00 0.00 C ATOM 362 NH1 ARG A 24 6.342 -5.385 -13.305 1.00 0.00 N ATOM 363 NH2 ARG A 24 6.832 -7.303 -14.481 1.00 0.00 N ATOM 0 H ARG A 24 1.640 -6.741 -8.744 1.00 0.00 H new ATOM 0 HA ARG A 24 0.027 -7.718 -10.914 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.712 -7.031 -12.191 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.171 -6.156 -10.743 1.00 0.00 H new ATOM 0 HG2 ARG A 24 3.730 -8.154 -10.217 1.00 0.00 H new ATOM 0 HG3 ARG A 24 3.428 -8.681 -11.861 1.00 0.00 H new ATOM 0 HD2 ARG A 24 3.961 -5.971 -12.211 1.00 0.00 H new ATOM 0 HD3 ARG A 24 5.024 -6.379 -10.878 1.00 0.00 H new ATOM 0 HE ARG A 24 5.491 -8.421 -12.697 1.00 0.00 H new ATOM 0 HH11 ARG A 24 5.849 -4.918 -12.543 1.00 0.00 H new ATOM 0 HH12 ARG A 24 6.940 -4.846 -13.932 1.00 0.00 H new ATOM 0 HH21 ARG A 24 6.715 -8.307 -14.621 1.00 0.00 H new ATOM 0 HH22 ARG A 24 7.430 -6.767 -15.109 1.00 0.00 H new ATOM 377 N LEU A 25 0.544 -10.191 -11.128 1.00 0.00 N ATOM 378 CA LEU A 25 0.705 -11.645 -11.160 1.00 0.00 C ATOM 379 C LEU A 25 0.853 -12.086 -12.608 1.00 0.00 C ATOM 380 O LEU A 25 -0.122 -12.391 -13.289 1.00 0.00 O ATOM 381 CB LEU A 25 -0.488 -12.360 -10.510 1.00 0.00 C ATOM 382 CG LEU A 25 -0.730 -12.054 -9.025 1.00 0.00 C ATOM 383 CD1 LEU A 25 -1.992 -12.823 -8.628 1.00 0.00 C ATOM 384 CD2 LEU A 25 0.462 -12.451 -8.148 1.00 0.00 C ATOM 0 H LEU A 25 -0.128 -9.844 -11.812 1.00 0.00 H new ATOM 0 HA LEU A 25 1.594 -11.913 -10.589 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.389 -12.099 -11.066 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.346 -13.435 -10.620 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.854 -10.982 -8.874 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.213 -12.641 -7.576 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.830 -12.486 -9.238 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.833 -13.890 -8.786 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.242 -12.215 -7.107 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.646 -13.521 -8.246 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.347 -11.900 -8.466 1.00 0.00 H new ATOM 436 N SER A 30 -3.406 -10.152 -11.951 1.00 0.00 N ATOM 437 CA SER A 30 -3.090 -9.378 -10.764 1.00 0.00 C ATOM 438 C SER A 30 -4.028 -9.847 -9.642 1.00 0.00 C ATOM 439 O SER A 30 -5.002 -10.565 -9.902 1.00 0.00 O ATOM 440 CB SER A 30 -3.223 -7.861 -11.022 1.00 0.00 C ATOM 441 OG SER A 30 -3.230 -7.483 -12.396 1.00 0.00 O ATOM 0 HA SER A 30 -2.052 -9.541 -10.476 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.144 -7.508 -10.559 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.400 -7.349 -10.524 1.00 0.00 H new ATOM 0 HG SER A 30 -3.346 -8.280 -12.954 1.00 0.00 H new ATOM 447 N PHE A 31 -3.757 -9.426 -8.409 1.00 0.00 N ATOM 448 CA PHE A 31 -4.658 -9.543 -7.274 1.00 0.00 C ATOM 449 C PHE A 31 -4.819 -8.154 -6.672 1.00 0.00 C ATOM 450 O PHE A 31 -3.824 -7.453 -6.512 1.00 0.00 O ATOM 451 CB PHE A 31 -4.088 -10.513 -6.228 1.00 0.00 C ATOM 452 CG PHE A 31 -4.893 -10.547 -4.939 1.00 0.00 C ATOM 453 CD1 PHE A 31 -6.133 -11.209 -4.902 1.00 0.00 C ATOM 454 CD2 PHE A 31 -4.436 -9.859 -3.796 1.00 0.00 C ATOM 455 CE1 PHE A 31 -6.922 -11.172 -3.737 1.00 0.00 C ATOM 456 CE2 PHE A 31 -5.217 -9.834 -2.626 1.00 0.00 C ATOM 457 CZ PHE A 31 -6.464 -10.483 -2.600 1.00 0.00 C ATOM 0 H PHE A 31 -2.872 -8.979 -8.168 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.622 -9.937 -7.596 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -4.053 -11.516 -6.653 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.061 -10.228 -6.000 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -6.481 -11.748 -5.771 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.484 -9.350 -3.819 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -7.879 -11.673 -3.716 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.859 -9.317 -1.748 1.00 0.00 H new ATOM 0 HZ PHE A 31 -7.070 -10.452 -1.707 1.00 0.00 H new ATOM 467 N ASP A 32 -6.022 -7.772 -6.262 1.00 0.00 N ATOM 468 CA ASP A 32 -6.227 -6.653 -5.349 1.00 0.00 C ATOM 469 C ASP A 32 -7.234 -7.070 -4.295 1.00 0.00 C ATOM 470 O ASP A 32 -8.260 -7.683 -4.606 1.00 0.00 O ATOM 471 CB ASP A 32 -6.702 -5.395 -6.072 1.00 0.00 C ATOM 472 CG ASP A 32 -6.998 -4.272 -5.064 1.00 0.00 C ATOM 473 OD1 ASP A 32 -6.044 -3.796 -4.386 1.00 0.00 O ATOM 474 OD2 ASP A 32 -8.177 -3.910 -4.921 1.00 0.00 O ATOM 0 H ASP A 32 -6.885 -8.230 -6.554 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.272 -6.403 -4.886 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -5.940 -5.066 -6.779 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.599 -5.618 -6.650 1.00 0.00 H new ATOM 479 N GLY A 33 -6.943 -6.703 -3.051 1.00 0.00 N ATOM 480 CA GLY A 33 -7.784 -6.931 -1.886 1.00 0.00 C ATOM 481 C GLY A 33 -7.748 -5.715 -0.964 1.00 0.00 C ATOM 482 O GLY A 33 -7.076 -4.724 -1.267 1.00 0.00 O ATOM 0 H GLY A 33 -6.076 -6.218 -2.820 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.809 -7.127 -2.201 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -7.441 -7.815 -1.348 1.00 0.00 H new ATOM 486 N THR A 34 -8.444 -5.787 0.172 1.00 0.00 N ATOM 487 CA THR A 34 -8.436 -4.720 1.152 1.00 0.00 C ATOM 488 C THR A 34 -7.489 -5.147 2.277 1.00 0.00 C ATOM 489 O THR A 34 -7.359 -6.341 2.552 1.00 0.00 O ATOM 490 CB THR A 34 -9.864 -4.391 1.634 1.00 0.00 C ATOM 491 OG1 THR A 34 -10.822 -4.498 0.592 1.00 0.00 O ATOM 492 CG2 THR A 34 -9.941 -2.963 2.184 1.00 0.00 C ATOM 0 H THR A 34 -9.024 -6.586 0.430 1.00 0.00 H new ATOM 0 HA THR A 34 -8.072 -3.787 0.721 1.00 0.00 H new ATOM 0 HB THR A 34 -10.091 -5.119 2.412 1.00 0.00 H new ATOM 0 HG1 THR A 34 -11.712 -4.283 0.942 1.00 0.00 H new ATOM 0 HG21 THR A 34 -10.958 -2.756 2.517 1.00 0.00 H new ATOM 0 HG22 THR A 34 -9.255 -2.860 3.025 1.00 0.00 H new ATOM 0 HG23 THR A 34 -9.664 -2.256 1.402 1.00 0.00 H new ATOM 500 N ALA A 35 -6.845 -4.203 2.955 1.00 0.00 N ATOM 501 CA ALA A 35 -6.229 -4.448 4.247 1.00 0.00 C ATOM 502 C ALA A 35 -6.364 -3.201 5.090 1.00 0.00 C ATOM 503 O ALA A 35 -6.488 -2.111 4.532 1.00 0.00 O ATOM 504 CB ALA A 35 -4.743 -4.822 4.097 1.00 0.00 C ATOM 0 H ALA A 35 -6.737 -3.246 2.620 1.00 0.00 H new ATOM 0 HA ALA A 35 -6.733 -5.287 4.727 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.311 -4.999 5.082 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.654 -5.726 3.494 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.210 -4.006 3.608 1.00 0.00 H new ATOM 510 N ALA A 36 -6.208 -3.324 6.406 1.00 0.00 N ATOM 511 CA ALA A 36 -5.780 -2.197 7.219 1.00 0.00 C ATOM 512 C ALA A 36 -4.263 -2.265 7.370 1.00 0.00 C ATOM 513 O ALA A 36 -3.656 -3.329 7.212 1.00 0.00 O ATOM 514 CB ALA A 36 -6.473 -2.242 8.581 1.00 0.00 C ATOM 0 H ALA A 36 -6.371 -4.187 6.925 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.053 -1.256 6.742 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.147 -1.394 9.183 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.553 -2.194 8.442 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.214 -3.170 9.090 1.00 0.00 H new ATOM 520 N ILE A 37 -3.652 -1.114 7.625 1.00 0.00 N ATOM 521 CA ILE A 37 -2.322 -0.957 8.178 1.00 0.00 C ATOM 522 C ILE A 37 -2.415 -1.387 9.654 1.00 0.00 C ATOM 523 O ILE A 37 -3.501 -1.453 10.241 1.00 0.00 O ATOM 524 CB ILE A 37 -1.873 0.516 7.943 1.00 0.00 C ATOM 525 CG1 ILE A 37 -1.811 0.813 6.420 1.00 0.00 C ATOM 526 CG2 ILE A 37 -0.491 0.858 8.536 1.00 0.00 C ATOM 527 CD1 ILE A 37 -1.639 2.288 6.037 1.00 0.00 C ATOM 0 H ILE A 37 -4.101 -0.217 7.439 1.00 0.00 H new ATOM 0 HA ILE A 37 -1.558 -1.575 7.706 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.617 1.127 8.454 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.984 0.247 5.991 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.726 0.441 5.958 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.254 1.901 8.328 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.508 0.697 9.614 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.267 0.217 8.085 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.608 2.381 4.951 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.477 2.865 6.427 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.709 2.668 6.460 1.00 0.00 H new ATOM 539 N THR A 38 -1.269 -1.696 10.249 1.00 0.00 N ATOM 540 CA THR A 38 -1.136 -2.034 11.661 1.00 0.00 C ATOM 541 C THR A 38 0.044 -1.311 12.318 1.00 0.00 C ATOM 542 O THR A 38 0.053 -1.042 13.523 1.00 0.00 O ATOM 543 CB THR A 38 -1.163 -3.557 11.819 1.00 0.00 C ATOM 544 OG1 THR A 38 -1.183 -3.959 13.173 1.00 0.00 O ATOM 545 CG2 THR A 38 -0.034 -4.231 11.079 1.00 0.00 C ATOM 0 H THR A 38 -0.381 -1.719 9.748 1.00 0.00 H new ATOM 0 HA THR A 38 -1.990 -1.659 12.225 1.00 0.00 H new ATOM 0 HB THR A 38 -2.098 -3.884 11.365 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.201 -4.938 13.223 1.00 0.00 H new ATOM 0 HG21 THR A 38 -0.098 -5.310 11.223 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.107 -4.001 10.016 1.00 0.00 H new ATOM 0 HG23 THR A 38 0.920 -3.870 11.463 1.00 0.00 H new ATOM 553 N SER A 39 1.055 -0.953 11.533 1.00 0.00 N ATOM 554 CA SER A 39 2.209 -0.164 11.947 1.00 0.00 C ATOM 555 C SER A 39 2.774 0.544 10.716 1.00 0.00 C ATOM 556 O SER A 39 2.561 0.071 9.592 1.00 0.00 O ATOM 557 CB SER A 39 3.245 -1.112 12.549 1.00 0.00 C ATOM 558 OG SER A 39 2.744 -1.695 13.745 1.00 0.00 O ATOM 0 H SER A 39 1.094 -1.216 10.548 1.00 0.00 H new ATOM 0 HA SER A 39 1.935 0.584 12.691 1.00 0.00 H new ATOM 0 HB2 SER A 39 3.493 -1.894 11.831 1.00 0.00 H new ATOM 0 HB3 SER A 39 4.166 -0.569 12.759 1.00 0.00 H new ATOM 0 HG SER A 39 1.813 -1.418 13.879 1.00 0.00 H new ATOM 564 N LEU A 40 3.503 1.647 10.919 1.00 0.00 N ATOM 565 CA LEU A 40 4.187 2.342 9.839 1.00 0.00 C ATOM 566 C LEU A 40 5.486 2.946 10.354 1.00 0.00 C ATOM 567 O LEU A 40 5.538 3.448 11.479 1.00 0.00 O ATOM 568 CB LEU A 40 3.251 3.409 9.226 1.00 0.00 C ATOM 569 CG LEU A 40 3.358 3.450 7.689 1.00 0.00 C ATOM 570 CD1 LEU A 40 2.012 3.792 7.061 1.00 0.00 C ATOM 571 CD2 LEU A 40 4.401 4.423 7.144 1.00 0.00 C ATOM 0 H LEU A 40 3.631 2.076 11.835 1.00 0.00 H new ATOM 0 HA LEU A 40 4.444 1.637 9.048 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.221 3.197 9.513 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.500 4.389 9.634 1.00 0.00 H new ATOM 0 HG LEU A 40 3.682 2.446 7.415 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.112 3.815 5.976 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.277 3.037 7.342 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.683 4.769 7.416 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.403 4.382 6.055 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.159 5.435 7.468 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.387 4.148 7.519 1.00 0.00 H new ATOM 583 N LYS A 41 6.518 2.951 9.514 1.00 0.00 N ATOM 584 CA LYS A 41 7.809 3.578 9.716 1.00 0.00 C ATOM 585 C LYS A 41 8.264 4.166 8.371 1.00 0.00 C ATOM 586 O LYS A 41 9.020 3.544 7.629 1.00 0.00 O ATOM 587 CB LYS A 41 8.774 2.531 10.306 1.00 0.00 C ATOM 588 CG LYS A 41 10.068 3.190 10.794 1.00 0.00 C ATOM 589 CD LYS A 41 11.110 2.195 11.317 1.00 0.00 C ATOM 590 CE LYS A 41 10.624 1.462 12.569 1.00 0.00 C ATOM 591 NZ LYS A 41 11.755 0.967 13.381 1.00 0.00 N ATOM 0 H LYS A 41 6.463 2.481 8.610 1.00 0.00 H new ATOM 0 HA LYS A 41 7.774 4.401 10.429 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.291 2.012 11.134 1.00 0.00 H new ATOM 0 HB3 LYS A 41 9.007 1.780 9.551 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.504 3.762 9.975 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.827 3.899 11.586 1.00 0.00 H new ATOM 0 HD2 LYS A 41 11.341 1.468 10.538 1.00 0.00 H new ATOM 0 HD3 LYS A 41 12.036 2.724 11.543 1.00 0.00 H new ATOM 0 HE2 LYS A 41 10.010 2.133 13.170 1.00 0.00 H new ATOM 0 HE3 LYS A 41 9.990 0.625 12.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 11.390 0.475 14.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 12.326 0.307 12.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 12.346 1.769 13.679 1.00 0.00 H new ATOM 605 N GLY A 42 7.793 5.370 8.037 1.00 0.00 N ATOM 606 CA GLY A 42 8.242 6.127 6.871 1.00 0.00 C ATOM 607 C GLY A 42 7.940 5.414 5.553 1.00 0.00 C ATOM 608 O GLY A 42 6.782 5.337 5.155 1.00 0.00 O ATOM 0 H GLY A 42 7.077 5.852 8.580 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.759 7.104 6.870 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.315 6.302 6.947 1.00 0.00 H new ATOM 612 N SER A 43 8.968 4.929 4.853 1.00 0.00 N ATOM 613 CA SER A 43 8.846 4.138 3.624 1.00 0.00 C ATOM 614 C SER A 43 8.350 2.736 3.868 1.00 0.00 C ATOM 615 O SER A 43 8.123 2.059 2.879 1.00 0.00 O ATOM 616 CB SER A 43 10.169 4.169 2.853 1.00 0.00 C ATOM 617 OG SER A 43 11.285 3.835 3.662 1.00 0.00 O ATOM 0 H SER A 43 9.937 5.080 5.133 1.00 0.00 H new ATOM 0 HA SER A 43 8.076 4.600 3.006 1.00 0.00 H new ATOM 0 HB2 SER A 43 10.112 3.474 2.015 1.00 0.00 H new ATOM 0 HB3 SER A 43 10.316 5.164 2.432 1.00 0.00 H new ATOM 0 HG SER A 43 12.102 3.868 3.122 1.00 0.00 H new ATOM 623 N LEU A 44 8.163 2.312 5.112 1.00 0.00 N ATOM 624 CA LEU A 44 7.774 0.958 5.468 1.00 0.00 C ATOM 625 C LEU A 44 6.419 1.011 6.154 1.00 0.00 C ATOM 626 O LEU A 44 6.213 1.849 7.024 1.00 0.00 O ATOM 627 CB LEU A 44 8.868 0.358 6.365 1.00 0.00 C ATOM 628 CG LEU A 44 8.847 -1.168 6.548 1.00 0.00 C ATOM 629 CD1 LEU A 44 7.881 -1.673 7.622 1.00 0.00 C ATOM 630 CD2 LEU A 44 8.699 -1.949 5.242 1.00 0.00 C ATOM 0 H LEU A 44 8.282 2.920 5.922 1.00 0.00 H new ATOM 0 HA LEU A 44 7.676 0.318 4.591 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.838 0.639 5.954 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.793 0.820 7.349 1.00 0.00 H new ATOM 0 HG LEU A 44 9.846 -1.381 6.928 1.00 0.00 H new ATOM 0 HD11 LEU A 44 7.936 -2.760 7.679 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.154 -1.245 8.587 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.864 -1.374 7.367 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.693 -3.018 5.456 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.764 -1.671 4.756 1.00 0.00 H new ATOM 0 HD23 LEU A 44 9.535 -1.716 4.582 1.00 0.00 H new ATOM 642 N ALA A 45 5.514 0.109 5.808 1.00 0.00 N ATOM 643 CA ALA A 45 4.260 -0.147 6.522 1.00 0.00 C ATOM 644 C ALA A 45 4.095 -1.647 6.732 1.00 0.00 C ATOM 645 O ALA A 45 4.754 -2.409 6.029 1.00 0.00 O ATOM 646 CB ALA A 45 3.068 0.414 5.732 1.00 0.00 C ATOM 0 H ALA A 45 5.632 -0.491 4.992 1.00 0.00 H new ATOM 0 HA ALA A 45 4.292 0.352 7.491 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.145 0.215 6.276 1.00 0.00 H new ATOM 0 HB2 ALA A 45 3.190 1.490 5.605 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.022 -0.064 4.754 1.00 0.00 H new ATOM 652 N TRP A 46 3.198 -2.065 7.630 1.00 0.00 N ATOM 653 CA TRP A 46 2.730 -3.447 7.763 1.00 0.00 C ATOM 654 C TRP A 46 1.215 -3.480 7.681 1.00 0.00 C ATOM 655 O TRP A 46 0.568 -2.578 8.226 1.00 0.00 O ATOM 656 CB TRP A 46 3.184 -4.065 9.090 1.00 0.00 C ATOM 657 CG TRP A 46 4.534 -4.707 9.021 1.00 0.00 C ATOM 658 CD1 TRP A 46 5.708 -4.046 9.093 1.00 0.00 C ATOM 659 CD2 TRP A 46 4.883 -6.108 8.792 1.00 0.00 C ATOM 660 NE1 TRP A 46 6.751 -4.931 8.960 1.00 0.00 N ATOM 661 CE2 TRP A 46 6.303 -6.207 8.716 1.00 0.00 C ATOM 662 CE3 TRP A 46 4.155 -7.300 8.594 1.00 0.00 C ATOM 663 CZ2 TRP A 46 6.965 -7.402 8.402 1.00 0.00 C ATOM 664 CZ3 TRP A 46 4.808 -8.512 8.300 1.00 0.00 C ATOM 665 CH2 TRP A 46 6.209 -8.563 8.176 1.00 0.00 C ATOM 0 H TRP A 46 2.765 -1.433 8.303 1.00 0.00 H new ATOM 0 HA TRP A 46 3.161 -4.031 6.950 1.00 0.00 H new ATOM 0 HB2 TRP A 46 3.198 -3.290 9.856 1.00 0.00 H new ATOM 0 HB3 TRP A 46 2.452 -4.810 9.404 1.00 0.00 H new ATOM 0 HD1 TRP A 46 5.813 -2.980 9.234 1.00 0.00 H new ATOM 0 HE1 TRP A 46 7.735 -4.673 9.033 1.00 0.00 H new ATOM 0 HE3 TRP A 46 3.078 -7.282 8.669 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 8.043 -7.429 8.335 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 4.227 -9.413 8.168 1.00 0.00 H new ATOM 0 HH2 TRP A 46 6.699 -9.488 7.909 1.00 0.00 H new ATOM 676 N LEU A 47 0.662 -4.517 7.039 1.00 0.00 N ATOM 677 CA LEU A 47 -0.763 -4.757 6.882 1.00 0.00 C ATOM 678 C LEU A 47 -1.210 -6.045 7.586 1.00 0.00 C ATOM 679 O LEU A 47 -0.385 -6.864 8.006 1.00 0.00 O ATOM 680 CB LEU A 47 -1.115 -4.893 5.394 1.00 0.00 C ATOM 681 CG LEU A 47 -0.680 -3.794 4.412 1.00 0.00 C ATOM 682 CD1 LEU A 47 -0.734 -2.367 4.960 1.00 0.00 C ATOM 683 CD2 LEU A 47 0.681 -4.065 3.788 1.00 0.00 C ATOM 0 H LEU A 47 1.229 -5.240 6.597 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.276 -3.906 7.331 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.690 -5.833 5.042 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.199 -4.986 5.321 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.442 -3.846 3.635 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.408 -1.669 4.189 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.756 -2.129 5.256 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.077 -2.285 5.826 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.935 -3.256 3.104 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.435 -4.127 4.573 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.649 -5.007 3.240 1.00 0.00 H new ATOM 695 N GLU A 48 -2.532 -6.234 7.662 1.00 0.00 N ATOM 696 CA GLU A 48 -3.197 -7.359 8.331 1.00 0.00 C ATOM 697 C GLU A 48 -4.439 -7.908 7.605 1.00 0.00 C ATOM 698 O GLU A 48 -5.275 -8.582 8.214 1.00 0.00 O ATOM 699 CB GLU A 48 -3.487 -6.973 9.801 1.00 0.00 C ATOM 700 CG GLU A 48 -4.397 -5.736 9.907 1.00 0.00 C ATOM 701 CD GLU A 48 -4.705 -5.265 11.338 1.00 0.00 C ATOM 702 OE1 GLU A 48 -3.978 -5.613 12.299 1.00 0.00 O ATOM 703 OE2 GLU A 48 -5.680 -4.498 11.526 1.00 0.00 O ATOM 0 H GLU A 48 -3.195 -5.582 7.243 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.506 -8.201 8.302 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.959 -7.814 10.310 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.547 -6.776 10.316 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.929 -4.914 9.365 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.339 -5.955 9.404 1.00 0.00 H new ATOM 710 N LEU A 49 -4.551 -7.686 6.292 1.00 0.00 N ATOM 711 CA LEU A 49 -5.758 -7.943 5.492 1.00 0.00 C ATOM 712 C LEU A 49 -7.013 -7.295 6.096 1.00 0.00 C ATOM 713 O LEU A 49 -6.895 -6.380 6.918 1.00 0.00 O ATOM 714 CB LEU A 49 -5.906 -9.454 5.214 1.00 0.00 C ATOM 715 CG LEU A 49 -5.361 -9.897 3.851 1.00 0.00 C ATOM 716 CD1 LEU A 49 -5.751 -11.355 3.601 1.00 0.00 C ATOM 717 CD2 LEU A 49 -5.901 -9.106 2.653 1.00 0.00 C ATOM 0 H LEU A 49 -3.782 -7.311 5.737 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.640 -7.454 4.525 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.390 -10.009 5.997 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.961 -9.722 5.276 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.285 -9.731 3.913 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.365 -11.674 2.633 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.329 -11.984 4.385 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.837 -11.447 3.607 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.459 -9.491 1.734 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.985 -9.211 2.606 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.643 -8.053 2.766 1.00 0.00 H new ATOM 729 N PHE A 50 -8.203 -7.636 5.580 1.00 0.00 N ATOM 730 CA PHE A 50 -9.464 -7.051 6.032 1.00 0.00 C ATOM 731 C PHE A 50 -10.506 -8.063 6.502 1.00 0.00 C ATOM 732 O PHE A 50 -11.510 -7.662 7.095 1.00 0.00 O ATOM 733 CB PHE A 50 -10.044 -6.243 4.867 1.00 0.00 C ATOM 734 CG PHE A 50 -10.543 -4.866 5.211 1.00 0.00 C ATOM 735 CD1 PHE A 50 -9.707 -3.987 5.916 1.00 0.00 C ATOM 736 CD2 PHE A 50 -11.779 -4.421 4.710 1.00 0.00 C ATOM 737 CE1 PHE A 50 -10.094 -2.655 6.105 1.00 0.00 C ATOM 738 CE2 PHE A 50 -12.157 -3.080 4.879 1.00 0.00 C ATOM 739 CZ PHE A 50 -11.306 -2.194 5.562 1.00 0.00 C ATOM 0 H PHE A 50 -8.313 -8.326 4.837 1.00 0.00 H new ATOM 0 HA PHE A 50 -9.237 -6.438 6.904 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -9.278 -6.150 4.097 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -10.867 -6.809 4.431 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -8.766 -4.338 6.313 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -12.435 -5.109 4.197 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -9.463 -1.983 6.667 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -13.100 -2.730 4.485 1.00 0.00 H new ATOM 0 HZ PHE A 50 -11.584 -1.156 5.670 1.00 0.00 H new ATOM 781 N GLN A 54 -8.706 -12.982 0.725 1.00 0.00 N ATOM 782 CA GLN A 54 -7.256 -13.083 0.695 1.00 0.00 C ATOM 783 C GLN A 54 -6.811 -13.472 -0.716 1.00 0.00 C ATOM 784 O GLN A 54 -7.628 -13.927 -1.527 1.00 0.00 O ATOM 785 CB GLN A 54 -6.785 -14.066 1.796 1.00 0.00 C ATOM 786 CG GLN A 54 -7.216 -15.529 1.598 1.00 0.00 C ATOM 787 CD GLN A 54 -6.481 -16.500 2.521 1.00 0.00 C ATOM 788 OE1 GLN A 54 -7.073 -17.108 3.410 1.00 0.00 O ATOM 789 NE2 GLN A 54 -5.192 -16.709 2.300 1.00 0.00 N ATOM 0 HA GLN A 54 -6.786 -12.125 0.918 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -5.697 -14.029 1.852 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -7.165 -13.719 2.757 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -8.289 -15.612 1.773 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.038 -15.817 0.562 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -4.712 -16.198 1.559 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -4.679 -17.381 2.871 1.00 0.00 H new ATOM 798 N PRO A 55 -5.522 -13.320 -1.030 1.00 0.00 N ATOM 799 CA PRO A 55 -4.989 -13.775 -2.297 1.00 0.00 C ATOM 800 C PRO A 55 -5.034 -15.301 -2.426 1.00 0.00 C ATOM 801 O PRO A 55 -5.348 -16.006 -1.456 1.00 0.00 O ATOM 802 CB PRO A 55 -3.555 -13.267 -2.328 1.00 0.00 C ATOM 803 CG PRO A 55 -3.183 -12.857 -0.913 1.00 0.00 C ATOM 804 CD PRO A 55 -4.529 -12.589 -0.261 1.00 0.00 C ATOM 0 HA PRO A 55 -5.580 -13.398 -3.132 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -2.881 -14.043 -2.691 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.463 -12.421 -3.009 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.636 -13.646 -0.396 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -2.548 -11.971 -0.905 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -4.527 -12.917 0.778 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -4.751 -11.522 -0.258 1.00 0.00 H new ATOM 812 N PRO A 56 -4.659 -15.843 -3.598 1.00 0.00 N ATOM 813 CA PRO A 56 -4.226 -17.227 -3.647 1.00 0.00 C ATOM 814 C PRO A 56 -2.922 -17.380 -2.845 1.00 0.00 C ATOM 815 O PRO A 56 -2.102 -16.461 -2.833 1.00 0.00 O ATOM 816 CB PRO A 56 -3.971 -17.500 -5.134 1.00 0.00 C ATOM 817 CG PRO A 56 -3.621 -16.127 -5.706 1.00 0.00 C ATOM 818 CD PRO A 56 -4.446 -15.160 -4.866 1.00 0.00 C ATOM 0 HA PRO A 56 -4.956 -17.917 -3.224 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -3.157 -18.211 -5.276 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -4.851 -17.922 -5.619 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -2.554 -15.919 -5.622 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -3.877 -16.057 -6.763 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.920 -14.216 -4.722 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -5.393 -14.926 -5.351 1.00 0.00 H new ATOM 826 N PRO A 57 -2.641 -18.569 -2.299 1.00 0.00 N ATOM 827 CA PRO A 57 -1.362 -18.870 -1.669 1.00 0.00 C ATOM 828 C PRO A 57 -0.265 -19.090 -2.716 1.00 0.00 C ATOM 829 O PRO A 57 -0.541 -19.068 -3.913 1.00 0.00 O ATOM 830 CB PRO A 57 -1.632 -20.111 -0.820 1.00 0.00 C ATOM 831 CG PRO A 57 -2.782 -20.800 -1.543 1.00 0.00 C ATOM 832 CD PRO A 57 -3.588 -19.653 -2.125 1.00 0.00 C ATOM 0 HA PRO A 57 -0.991 -18.049 -1.056 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.754 -20.754 -0.760 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.903 -19.846 0.202 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.419 -21.469 -2.323 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.380 -21.402 -0.859 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.043 -19.934 -3.075 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -4.399 -19.363 -1.457 1.00 0.00 H new ATOM 840 N ASN A 58 0.981 -19.309 -2.272 1.00 0.00 N ATOM 841 CA ASN A 58 2.217 -19.438 -3.067 1.00 0.00 C ATOM 842 C ASN A 58 2.475 -18.296 -4.054 1.00 0.00 C ATOM 843 O ASN A 58 3.323 -18.415 -4.939 1.00 0.00 O ATOM 844 CB ASN A 58 2.365 -20.824 -3.723 1.00 0.00 C ATOM 845 CG ASN A 58 1.416 -21.140 -4.875 1.00 0.00 C ATOM 846 OD1 ASN A 58 1.237 -20.380 -5.821 1.00 0.00 O ATOM 847 ND2 ASN A 58 0.810 -22.316 -4.852 1.00 0.00 N ATOM 0 H ASN A 58 1.168 -19.408 -1.274 1.00 0.00 H new ATOM 0 HA ASN A 58 3.013 -19.346 -2.329 1.00 0.00 H new ATOM 0 HB2 ASN A 58 3.388 -20.921 -4.088 1.00 0.00 H new ATOM 0 HB3 ASN A 58 2.229 -21.582 -2.952 1.00 0.00 H new ATOM 0 HD21 ASN A 58 0.196 -22.588 -5.620 1.00 0.00 H new ATOM 0 HD22 ASN A 58 0.957 -22.950 -4.067 1.00 0.00 H new ATOM 854 N THR A 59 1.756 -17.184 -3.925 1.00 0.00 N ATOM 855 CA THR A 59 1.664 -16.186 -4.977 1.00 0.00 C ATOM 856 C THR A 59 2.155 -14.808 -4.496 1.00 0.00 C ATOM 857 O THR A 59 2.666 -14.046 -5.314 1.00 0.00 O ATOM 858 CB THR A 59 0.232 -16.274 -5.547 1.00 0.00 C ATOM 859 OG1 THR A 59 -0.016 -17.584 -6.047 1.00 0.00 O ATOM 860 CG2 THR A 59 -0.003 -15.338 -6.704 1.00 0.00 C ATOM 0 H THR A 59 1.222 -16.953 -3.087 1.00 0.00 H new ATOM 0 HA THR A 59 2.344 -16.374 -5.808 1.00 0.00 H new ATOM 0 HB THR A 59 -0.427 -16.008 -4.720 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.444 -18.124 -5.351 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.028 -15.448 -7.059 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.160 -14.310 -6.379 1.00 0.00 H new ATOM 0 HG23 THR A 59 0.689 -15.577 -7.512 1.00 0.00 H new ATOM 868 N LEU A 60 2.123 -14.521 -3.187 1.00 0.00 N ATOM 869 CA LEU A 60 2.781 -13.351 -2.617 1.00 0.00 C ATOM 870 C LEU A 60 4.269 -13.674 -2.459 1.00 0.00 C ATOM 871 O LEU A 60 4.625 -14.774 -2.023 1.00 0.00 O ATOM 872 CB LEU A 60 2.200 -12.951 -1.243 1.00 0.00 C ATOM 873 CG LEU A 60 0.786 -12.333 -1.170 1.00 0.00 C ATOM 874 CD1 LEU A 60 0.544 -11.676 0.188 1.00 0.00 C ATOM 875 CD2 LEU A 60 0.477 -11.259 -2.215 1.00 0.00 C ATOM 0 H LEU A 60 1.639 -15.097 -2.499 1.00 0.00 H new ATOM 0 HA LEU A 60 2.619 -12.508 -3.289 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.201 -13.842 -0.615 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.891 -12.241 -0.789 1.00 0.00 H new ATOM 0 HG LEU A 60 0.137 -13.189 -1.355 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.459 -11.249 0.212 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.639 -12.423 0.976 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.278 -10.886 0.346 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.540 -10.894 -2.072 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.178 -10.432 -2.105 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.573 -11.685 -3.214 1.00 0.00 H new ATOM 887 N SER A 61 5.127 -12.692 -2.726 1.00 0.00 N ATOM 888 CA SER A 61 6.570 -12.720 -2.518 1.00 0.00 C ATOM 889 C SER A 61 7.014 -11.510 -1.697 1.00 0.00 C ATOM 890 O SER A 61 6.279 -10.525 -1.581 1.00 0.00 O ATOM 891 CB SER A 61 7.285 -12.686 -3.868 1.00 0.00 C ATOM 892 OG SER A 61 6.840 -13.702 -4.743 1.00 0.00 O ATOM 0 H SER A 61 4.813 -11.803 -3.116 1.00 0.00 H new ATOM 0 HA SER A 61 6.824 -13.634 -1.982 1.00 0.00 H new ATOM 0 HB2 SER A 61 7.126 -11.714 -4.335 1.00 0.00 H new ATOM 0 HB3 SER A 61 8.358 -12.792 -3.710 1.00 0.00 H new ATOM 0 HG SER A 61 7.325 -13.638 -5.592 1.00 0.00 H new ATOM 898 N GLU A 62 8.245 -11.546 -1.185 1.00 0.00 N ATOM 899 CA GLU A 62 8.823 -10.500 -0.339 1.00 0.00 C ATOM 900 C GLU A 62 9.321 -9.285 -1.132 1.00 0.00 C ATOM 901 O GLU A 62 9.792 -8.309 -0.557 1.00 0.00 O ATOM 902 CB GLU A 62 9.980 -11.066 0.502 1.00 0.00 C ATOM 903 CG GLU A 62 9.583 -12.246 1.392 1.00 0.00 C ATOM 904 CD GLU A 62 10.507 -12.353 2.601 1.00 0.00 C ATOM 905 OE1 GLU A 62 10.346 -11.572 3.565 1.00 0.00 O ATOM 906 OE2 GLU A 62 11.434 -13.197 2.607 1.00 0.00 O ATOM 0 H GLU A 62 8.884 -12.323 -1.351 1.00 0.00 H new ATOM 0 HA GLU A 62 8.017 -10.157 0.309 1.00 0.00 H new ATOM 0 HB2 GLU A 62 10.781 -11.382 -0.166 1.00 0.00 H new ATOM 0 HB3 GLU A 62 10.383 -10.271 1.129 1.00 0.00 H new ATOM 0 HG2 GLU A 62 8.553 -12.123 1.727 1.00 0.00 H new ATOM 0 HG3 GLU A 62 9.623 -13.170 0.816 1.00 0.00 H new ATOM 913 N GLY A 63 9.228 -9.330 -2.454 1.00 0.00 N ATOM 914 CA GLY A 63 9.767 -8.360 -3.395 1.00 0.00 C ATOM 915 C GLY A 63 8.808 -8.192 -4.565 1.00 0.00 C ATOM 916 O GLY A 63 9.218 -7.746 -5.631 1.00 0.00 O ATOM 0 H GLY A 63 8.744 -10.093 -2.927 1.00 0.00 H new ATOM 0 HA2 GLY A 63 9.920 -7.402 -2.897 1.00 0.00 H new ATOM 0 HA3 GLY A 63 10.741 -8.691 -3.755 1.00 0.00 H new ATOM 920 N ALA A 64 7.539 -8.564 -4.361 1.00 0.00 N ATOM 921 CA ALA A 64 6.476 -8.316 -5.317 1.00 0.00 C ATOM 922 C ALA A 64 6.333 -6.809 -5.427 1.00 0.00 C ATOM 923 O ALA A 64 6.304 -6.153 -4.385 1.00 0.00 O ATOM 924 CB ALA A 64 5.182 -8.917 -4.767 1.00 0.00 C ATOM 0 H ALA A 64 7.228 -9.048 -3.519 1.00 0.00 H new ATOM 0 HA ALA A 64 6.690 -8.757 -6.290 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.370 -8.740 -5.473 1.00 0.00 H new ATOM 0 HB2 ALA A 64 5.311 -9.990 -4.624 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.941 -8.450 -3.812 1.00 0.00 H new ATOM 930 N GLU A 65 6.261 -6.268 -6.639 1.00 0.00 N ATOM 931 CA GLU A 65 5.828 -4.917 -6.891 1.00 0.00 C ATOM 932 C GLU A 65 4.315 -4.913 -6.729 1.00 0.00 C ATOM 933 O GLU A 65 3.609 -5.846 -7.148 1.00 0.00 O ATOM 934 CB GLU A 65 6.251 -4.430 -8.286 1.00 0.00 C ATOM 935 CG GLU A 65 7.774 -4.528 -8.469 1.00 0.00 C ATOM 936 CD GLU A 65 8.369 -3.700 -9.613 1.00 0.00 C ATOM 937 OE1 GLU A 65 7.664 -3.258 -10.546 1.00 0.00 O ATOM 938 OE2 GLU A 65 9.604 -3.452 -9.535 1.00 0.00 O ATOM 0 H GLU A 65 6.510 -6.777 -7.487 1.00 0.00 H new ATOM 0 HA GLU A 65 6.296 -4.226 -6.190 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.751 -5.026 -9.050 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.931 -3.398 -8.427 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.252 -4.221 -7.539 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.034 -5.574 -8.631 1.00 0.00 H new ATOM 945 N VAL A 66 3.856 -3.858 -6.078 1.00 0.00 N ATOM 946 CA VAL A 66 2.476 -3.617 -5.698 1.00 0.00 C ATOM 947 C VAL A 66 2.121 -2.142 -5.960 1.00 0.00 C ATOM 948 O VAL A 66 3.017 -1.314 -6.154 1.00 0.00 O ATOM 949 CB VAL A 66 2.240 -4.042 -4.229 1.00 0.00 C ATOM 950 CG1 VAL A 66 2.616 -5.515 -3.993 1.00 0.00 C ATOM 951 CG2 VAL A 66 3.018 -3.198 -3.208 1.00 0.00 C ATOM 0 H VAL A 66 4.474 -3.102 -5.783 1.00 0.00 H new ATOM 0 HA VAL A 66 1.808 -4.226 -6.307 1.00 0.00 H new ATOM 0 HB VAL A 66 1.173 -3.884 -4.074 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.436 -5.774 -2.950 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.009 -6.153 -4.635 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.670 -5.663 -4.227 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.802 -3.555 -2.201 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.087 -3.286 -3.403 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.718 -2.154 -3.295 1.00 0.00 H new ATOM 961 N SER A 67 0.841 -1.767 -5.915 1.00 0.00 N ATOM 962 CA SER A 67 0.399 -0.384 -5.923 1.00 0.00 C ATOM 963 C SER A 67 -0.571 -0.150 -4.767 1.00 0.00 C ATOM 964 O SER A 67 -1.486 -0.956 -4.565 1.00 0.00 O ATOM 965 CB SER A 67 -0.304 -0.087 -7.236 1.00 0.00 C ATOM 966 OG SER A 67 0.294 -0.650 -8.384 1.00 0.00 O ATOM 0 H SER A 67 0.072 -2.436 -5.871 1.00 0.00 H new ATOM 0 HA SER A 67 1.262 0.272 -5.812 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.331 -0.447 -7.168 1.00 0.00 H new ATOM 0 HB3 SER A 67 -0.353 0.994 -7.366 1.00 0.00 H new ATOM 0 HG SER A 67 -0.228 -0.407 -9.177 1.00 0.00 H new ATOM 972 N VAL A 68 -0.394 0.942 -4.025 1.00 0.00 N ATOM 973 CA VAL A 68 -1.238 1.351 -2.909 1.00 0.00 C ATOM 974 C VAL A 68 -2.355 2.268 -3.414 1.00 0.00 C ATOM 975 O VAL A 68 -2.297 2.751 -4.546 1.00 0.00 O ATOM 976 CB VAL A 68 -0.382 2.014 -1.808 1.00 0.00 C ATOM 977 CG1 VAL A 68 0.899 1.259 -1.454 1.00 0.00 C ATOM 978 CG2 VAL A 68 -0.114 3.479 -2.017 1.00 0.00 C ATOM 0 H VAL A 68 0.374 1.591 -4.194 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.710 0.476 -2.462 1.00 0.00 H new ATOM 0 HB VAL A 68 -1.032 1.943 -0.936 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.435 1.798 -0.673 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.646 0.260 -1.098 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.531 1.179 -2.339 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.494 3.859 -1.195 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.418 3.621 -2.958 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.059 4.021 -2.050 1.00 0.00 H new ATOM 988 N SER A 69 -3.332 2.579 -2.564 1.00 0.00 N ATOM 989 CA SER A 69 -4.171 3.763 -2.697 1.00 0.00 C ATOM 990 C SER A 69 -4.869 3.996 -1.358 1.00 0.00 C ATOM 991 O SER A 69 -5.338 3.022 -0.773 1.00 0.00 O ATOM 992 CB SER A 69 -5.161 3.603 -3.879 1.00 0.00 C ATOM 993 OG SER A 69 -6.494 3.371 -3.472 1.00 0.00 O ATOM 0 H SER A 69 -3.564 2.006 -1.753 1.00 0.00 H new ATOM 0 HA SER A 69 -3.572 4.642 -2.933 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.129 4.503 -4.494 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.833 2.776 -4.508 1.00 0.00 H new ATOM 0 HG SER A 69 -6.725 2.432 -3.630 1.00 0.00 H new ATOM 999 N VAL A 70 -4.967 5.236 -0.880 1.00 0.00 N ATOM 1000 CA VAL A 70 -5.798 5.597 0.263 1.00 0.00 C ATOM 1001 C VAL A 70 -6.413 6.960 0.021 1.00 0.00 C ATOM 1002 O VAL A 70 -5.769 7.853 -0.523 1.00 0.00 O ATOM 1003 CB VAL A 70 -4.980 5.570 1.562 1.00 0.00 C ATOM 1004 CG1 VAL A 70 -3.798 6.544 1.602 1.00 0.00 C ATOM 1005 CG2 VAL A 70 -5.879 5.793 2.784 1.00 0.00 C ATOM 0 H VAL A 70 -4.464 6.027 -1.283 1.00 0.00 H new ATOM 0 HA VAL A 70 -6.599 4.867 0.375 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.545 4.571 1.591 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.282 6.451 2.558 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.106 6.310 0.793 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.163 7.564 1.484 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.274 5.769 3.690 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.371 6.762 2.702 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.632 5.007 2.830 1.00 0.00 H new ATOM 1015 N TRP A 71 -7.650 7.145 0.447 1.00 0.00 N ATOM 1016 CA TRP A 71 -8.300 8.442 0.437 1.00 0.00 C ATOM 1017 C TRP A 71 -8.012 9.112 1.770 1.00 0.00 C ATOM 1018 O TRP A 71 -8.501 8.625 2.790 1.00 0.00 O ATOM 1019 CB TRP A 71 -9.799 8.240 0.210 1.00 0.00 C ATOM 1020 CG TRP A 71 -10.125 7.725 -1.157 1.00 0.00 C ATOM 1021 CD1 TRP A 71 -10.222 6.423 -1.503 1.00 0.00 C ATOM 1022 CD2 TRP A 71 -10.264 8.477 -2.397 1.00 0.00 C ATOM 1023 NE1 TRP A 71 -10.425 6.323 -2.865 1.00 0.00 N ATOM 1024 CE2 TRP A 71 -10.432 7.560 -3.475 1.00 0.00 C ATOM 1025 CE3 TRP A 71 -10.188 9.845 -2.725 1.00 0.00 C ATOM 1026 CZ2 TRP A 71 -10.507 7.984 -4.814 1.00 0.00 C ATOM 1027 CZ3 TRP A 71 -10.310 10.281 -4.056 1.00 0.00 C ATOM 1028 CH2 TRP A 71 -10.471 9.359 -5.104 1.00 0.00 C ATOM 0 H TRP A 71 -8.235 6.394 0.812 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.927 9.079 -0.365 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -10.182 7.542 0.955 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -10.314 9.188 0.367 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -10.152 5.589 -0.820 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -10.554 5.441 -3.360 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -10.033 10.571 -1.941 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -10.591 7.260 -5.611 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -10.280 11.338 -4.276 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -10.566 9.704 -6.123 1.00 0.00 H new ATOM 1039 N THR A 72 -7.230 10.194 1.807 1.00 0.00 N ATOM 1040 CA THR A 72 -7.142 10.985 3.028 1.00 0.00 C ATOM 1041 C THR A 72 -6.854 12.451 2.695 1.00 0.00 C ATOM 1042 O THR A 72 -6.290 12.774 1.636 1.00 0.00 O ATOM 1043 CB THR A 72 -6.139 10.335 3.997 1.00 0.00 C ATOM 1044 OG1 THR A 72 -6.431 10.706 5.324 1.00 0.00 O ATOM 1045 CG2 THR A 72 -4.687 10.681 3.694 1.00 0.00 C ATOM 0 H THR A 72 -6.665 10.532 1.028 1.00 0.00 H new ATOM 0 HA THR A 72 -8.099 10.994 3.550 1.00 0.00 H new ATOM 0 HB THR A 72 -6.250 9.259 3.863 1.00 0.00 H new ATOM 0 HG1 THR A 72 -6.463 9.905 5.888 1.00 0.00 H new ATOM 0 HG21 THR A 72 -4.037 10.188 4.417 1.00 0.00 H new ATOM 0 HG22 THR A 72 -4.434 10.343 2.689 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.549 11.760 3.759 1.00 0.00 H new ATOM 1053 N GLY A 73 -7.266 13.345 3.596 1.00 0.00 N ATOM 1054 CA GLY A 73 -7.408 14.761 3.309 1.00 0.00 C ATOM 1055 C GLY A 73 -8.301 14.957 2.081 1.00 0.00 C ATOM 1056 O GLY A 73 -9.122 14.091 1.747 1.00 0.00 O ATOM 0 H GLY A 73 -7.511 13.096 4.554 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -7.839 15.274 4.169 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -6.428 15.205 3.132 1.00 0.00 H new ATOM 1060 N GLY A 74 -8.140 16.081 1.391 1.00 0.00 N ATOM 1061 CA GLY A 74 -8.812 16.349 0.130 1.00 0.00 C ATOM 1062 C GLY A 74 -8.040 15.781 -1.063 1.00 0.00 C ATOM 1063 O GLY A 74 -7.755 16.542 -1.989 1.00 0.00 O ATOM 0 H GLY A 74 -7.531 16.839 1.698 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -9.812 15.917 0.153 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -8.932 17.425 0.005 1.00 0.00 H new ATOM 1067 N ALA A 75 -7.683 14.484 -1.065 1.00 0.00 N ATOM 1068 CA ALA A 75 -7.294 13.781 -2.288 1.00 0.00 C ATOM 1069 C ALA A 75 -7.327 12.257 -2.132 1.00 0.00 C ATOM 1070 O ALA A 75 -7.532 11.734 -1.033 1.00 0.00 O ATOM 1071 CB ALA A 75 -5.887 14.190 -2.751 1.00 0.00 C ATOM 0 H ALA A 75 -7.658 13.904 -0.226 1.00 0.00 H new ATOM 0 HA ALA A 75 -8.032 14.072 -3.035 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.632 13.648 -3.662 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.866 15.262 -2.949 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.164 13.951 -1.972 1.00 0.00 H new ATOM 1077 N LEU A 76 -7.068 11.543 -3.235 1.00 0.00 N ATOM 1078 CA LEU A 76 -6.568 10.177 -3.210 1.00 0.00 C ATOM 1079 C LEU A 76 -5.050 10.284 -3.066 1.00 0.00 C ATOM 1080 O LEU A 76 -4.422 11.157 -3.668 1.00 0.00 O ATOM 1081 CB LEU A 76 -6.929 9.500 -4.550 1.00 0.00 C ATOM 1082 CG LEU A 76 -6.992 7.954 -4.646 1.00 0.00 C ATOM 1083 CD1 LEU A 76 -6.071 7.453 -5.738 1.00 0.00 C ATOM 1084 CD2 LEU A 76 -6.769 7.142 -3.370 1.00 0.00 C ATOM 0 H LEU A 76 -7.204 11.909 -4.177 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.995 9.590 -2.397 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.903 9.883 -4.855 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.206 9.841 -5.291 1.00 0.00 H new ATOM 0 HG LEU A 76 -8.042 7.775 -4.877 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.128 6.366 -5.791 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.374 7.880 -6.694 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.047 7.752 -5.516 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.844 6.079 -3.598 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.779 7.359 -2.969 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -7.525 7.409 -2.632 1.00 0.00 H new ATOM 1096 N CYS A 77 -4.434 9.355 -2.358 1.00 0.00 N ATOM 1097 CA CYS A 77 -3.007 9.127 -2.244 1.00 0.00 C ATOM 1098 C CYS A 77 -2.789 7.717 -2.805 1.00 0.00 C ATOM 1099 O CYS A 77 -2.809 6.718 -2.087 1.00 0.00 O ATOM 1100 CB CYS A 77 -2.606 9.346 -0.771 1.00 0.00 C ATOM 1101 SG CYS A 77 -1.099 8.485 -0.287 1.00 0.00 S ATOM 0 H CYS A 77 -4.965 8.685 -1.802 1.00 0.00 H new ATOM 0 HA CYS A 77 -2.367 9.809 -2.805 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -2.475 10.414 -0.596 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -3.423 9.016 -0.130 1.00 0.00 H new ATOM 0 HG CYS A 77 -1.359 7.224 -0.107 1.00 0.00 H new ATOM 1107 N ARG A 78 -2.673 7.632 -4.129 1.00 0.00 N ATOM 1108 CA ARG A 78 -2.210 6.462 -4.872 1.00 0.00 C ATOM 1109 C ARG A 78 -0.702 6.562 -4.882 1.00 0.00 C ATOM 1110 O ARG A 78 -0.159 7.649 -5.075 1.00 0.00 O ATOM 1111 CB ARG A 78 -2.826 6.444 -6.291 1.00 0.00 C ATOM 1112 CG ARG A 78 -2.049 5.699 -7.399 1.00 0.00 C ATOM 1113 CD ARG A 78 -1.768 4.215 -7.188 1.00 0.00 C ATOM 1114 NE ARG A 78 -1.213 3.546 -8.380 1.00 0.00 N ATOM 1115 CZ ARG A 78 0.084 3.533 -8.723 1.00 0.00 C ATOM 1116 NH1 ARG A 78 0.923 4.472 -8.304 1.00 0.00 N ATOM 1117 NH2 ARG A 78 0.553 2.565 -9.500 1.00 0.00 N ATOM 0 H ARG A 78 -2.910 8.413 -4.741 1.00 0.00 H new ATOM 0 HA ARG A 78 -2.521 5.522 -4.416 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.819 6.000 -6.220 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.961 7.477 -6.612 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.605 5.807 -8.330 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -1.094 6.205 -7.538 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -1.070 4.100 -6.359 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -2.693 3.716 -6.898 1.00 0.00 H new ATOM 0 HE ARG A 78 -1.866 3.055 -8.991 1.00 0.00 H new ATOM 0 HH11 ARG A 78 0.586 5.227 -7.706 1.00 0.00 H new ATOM 0 HH12 ARG A 78 1.905 4.439 -8.579 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -0.072 1.832 -9.836 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.539 2.554 -9.762 1.00 0.00 H new ATOM 1131 N CYS A 79 -0.035 5.429 -4.698 1.00 0.00 N ATOM 1132 CA CYS A 79 1.391 5.320 -4.915 1.00 0.00 C ATOM 1133 C CYS A 79 1.768 3.886 -5.317 1.00 0.00 C ATOM 1134 O CYS A 79 0.895 3.021 -5.381 1.00 0.00 O ATOM 1135 CB CYS A 79 2.098 5.816 -3.642 1.00 0.00 C ATOM 1136 SG CYS A 79 3.748 6.416 -4.072 1.00 0.00 S ATOM 0 H CYS A 79 -0.475 4.561 -4.393 1.00 0.00 H new ATOM 0 HA CYS A 79 1.718 5.943 -5.748 1.00 0.00 H new ATOM 0 HB2 CYS A 79 1.518 6.613 -3.177 1.00 0.00 H new ATOM 0 HB3 CYS A 79 2.170 5.008 -2.914 1.00 0.00 H new ATOM 0 HG CYS A 79 4.546 5.405 -4.245 1.00 0.00 H new ATOM 1142 N ASP A 80 3.038 3.631 -5.616 1.00 0.00 N ATOM 1143 CA ASP A 80 3.566 2.318 -5.992 1.00 0.00 C ATOM 1144 C ASP A 80 4.357 1.774 -4.787 1.00 0.00 C ATOM 1145 O ASP A 80 4.642 2.508 -3.834 1.00 0.00 O ATOM 1146 CB ASP A 80 4.473 2.451 -7.235 1.00 0.00 C ATOM 1147 CG ASP A 80 3.698 2.620 -8.545 1.00 0.00 C ATOM 1148 OD1 ASP A 80 3.263 1.601 -9.135 1.00 0.00 O ATOM 1149 OD2 ASP A 80 3.470 3.760 -9.007 1.00 0.00 O ATOM 0 H ASP A 80 3.755 4.356 -5.604 1.00 0.00 H new ATOM 0 HA ASP A 80 2.759 1.631 -6.247 1.00 0.00 H new ATOM 0 HB2 ASP A 80 5.135 3.307 -7.101 1.00 0.00 H new ATOM 0 HB3 ASP A 80 5.106 1.567 -7.309 1.00 0.00 H new ATOM 1154 N GLY A 81 4.743 0.497 -4.804 1.00 0.00 N ATOM 1155 CA GLY A 81 5.519 -0.115 -3.736 1.00 0.00 C ATOM 1156 C GLY A 81 6.089 -1.469 -4.125 1.00 0.00 C ATOM 1157 O GLY A 81 5.869 -1.963 -5.234 1.00 0.00 O ATOM 0 H GLY A 81 4.522 -0.142 -5.567 1.00 0.00 H new ATOM 0 HA2 GLY A 81 6.335 0.552 -3.458 1.00 0.00 H new ATOM 0 HA3 GLY A 81 4.888 -0.231 -2.855 1.00 0.00 H new ATOM 1161 N ARG A 82 6.810 -2.080 -3.187 1.00 0.00 N ATOM 1162 CA ARG A 82 7.123 -3.503 -3.154 1.00 0.00 C ATOM 1163 C ARG A 82 6.732 -4.039 -1.784 1.00 0.00 C ATOM 1164 O ARG A 82 6.493 -3.239 -0.884 1.00 0.00 O ATOM 1165 CB ARG A 82 8.608 -3.780 -3.386 1.00 0.00 C ATOM 1166 CG ARG A 82 9.072 -3.292 -4.758 1.00 0.00 C ATOM 1167 CD ARG A 82 9.910 -4.360 -5.457 1.00 0.00 C ATOM 1168 NE ARG A 82 11.157 -4.704 -4.750 1.00 0.00 N ATOM 1169 CZ ARG A 82 12.175 -5.378 -5.298 1.00 0.00 C ATOM 1170 NH1 ARG A 82 12.184 -5.683 -6.591 1.00 0.00 N ATOM 1171 NH2 ARG A 82 13.209 -5.764 -4.564 1.00 0.00 N ATOM 0 H ARG A 82 7.208 -1.573 -2.396 1.00 0.00 H new ATOM 0 HA ARG A 82 6.570 -3.993 -3.956 1.00 0.00 H new ATOM 0 HB2 ARG A 82 9.194 -3.290 -2.609 1.00 0.00 H new ATOM 0 HB3 ARG A 82 8.795 -4.850 -3.299 1.00 0.00 H new ATOM 0 HG2 ARG A 82 8.207 -3.042 -5.372 1.00 0.00 H new ATOM 0 HG3 ARG A 82 9.657 -2.379 -4.646 1.00 0.00 H new ATOM 0 HD2 ARG A 82 9.309 -5.262 -5.571 1.00 0.00 H new ATOM 0 HD3 ARG A 82 10.157 -4.013 -6.460 1.00 0.00 H new ATOM 0 HE ARG A 82 11.250 -4.409 -3.778 1.00 0.00 H new ATOM 0 HH11 ARG A 82 11.405 -5.403 -7.187 1.00 0.00 H new ATOM 0 HH12 ARG A 82 12.970 -6.197 -6.988 1.00 0.00 H new ATOM 0 HH21 ARG A 82 13.236 -5.548 -3.567 1.00 0.00 H new ATOM 0 HH22 ARG A 82 13.978 -6.277 -4.996 1.00 0.00 H new ATOM 1185 N VAL A 83 6.735 -5.356 -1.584 1.00 0.00 N ATOM 1186 CA VAL A 83 6.446 -5.952 -0.280 1.00 0.00 C ATOM 1187 C VAL A 83 7.538 -5.672 0.758 1.00 0.00 C ATOM 1188 O VAL A 83 7.242 -5.403 1.912 1.00 0.00 O ATOM 1189 CB VAL A 83 6.130 -7.442 -0.457 1.00 0.00 C ATOM 1190 CG1 VAL A 83 6.165 -8.250 0.842 1.00 0.00 C ATOM 1191 CG2 VAL A 83 4.725 -7.557 -1.055 1.00 0.00 C ATOM 0 H VAL A 83 6.937 -6.037 -2.316 1.00 0.00 H new ATOM 0 HA VAL A 83 5.560 -5.472 0.135 1.00 0.00 H new ATOM 0 HB VAL A 83 6.904 -7.857 -1.102 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.931 -9.293 0.628 1.00 0.00 H new ATOM 0 HG12 VAL A 83 7.159 -8.185 1.284 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.430 -7.849 1.540 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.473 -8.609 -1.192 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.004 -7.096 -0.380 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.697 -7.048 -2.019 1.00 0.00 H new ATOM 1201 N GLU A 84 8.807 -5.722 0.377 1.00 0.00 N ATOM 1202 CA GLU A 84 9.991 -5.642 1.245 1.00 0.00 C ATOM 1203 C GLU A 84 10.149 -6.827 2.212 1.00 0.00 C ATOM 1204 O GLU A 84 11.265 -7.309 2.422 1.00 0.00 O ATOM 1205 CB GLU A 84 9.989 -4.310 2.016 1.00 0.00 C ATOM 1206 CG GLU A 84 11.337 -3.928 2.636 1.00 0.00 C ATOM 1207 CD GLU A 84 12.508 -3.956 1.652 1.00 0.00 C ATOM 1208 OE1 GLU A 84 12.420 -3.330 0.570 1.00 0.00 O ATOM 1209 OE2 GLU A 84 13.550 -4.552 2.008 1.00 0.00 O ATOM 0 H GLU A 84 9.061 -5.826 -0.605 1.00 0.00 H new ATOM 0 HA GLU A 84 10.855 -5.692 0.583 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.677 -3.514 1.339 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.243 -4.365 2.808 1.00 0.00 H new ATOM 0 HG2 GLU A 84 11.258 -2.928 3.062 1.00 0.00 H new ATOM 0 HG3 GLU A 84 11.552 -4.609 3.459 1.00 0.00 H new ATOM 1216 N THR A 85 9.089 -7.284 2.876 1.00 0.00 N ATOM 1217 CA THR A 85 9.100 -8.447 3.764 1.00 0.00 C ATOM 1218 C THR A 85 7.700 -9.058 3.823 1.00 0.00 C ATOM 1219 O THR A 85 6.727 -8.332 4.027 1.00 0.00 O ATOM 1220 CB THR A 85 9.546 -8.016 5.173 1.00 0.00 C ATOM 1221 OG1 THR A 85 10.748 -7.270 5.114 1.00 0.00 O ATOM 1222 CG2 THR A 85 9.788 -9.207 6.103 1.00 0.00 C ATOM 0 H THR A 85 8.172 -6.843 2.810 1.00 0.00 H new ATOM 0 HA THR A 85 9.799 -9.191 3.381 1.00 0.00 H new ATOM 0 HB THR A 85 8.730 -7.412 5.570 1.00 0.00 H new ATOM 0 HG1 THR A 85 11.013 -7.005 6.019 1.00 0.00 H new ATOM 0 HG21 THR A 85 10.100 -8.846 7.083 1.00 0.00 H new ATOM 0 HG22 THR A 85 8.868 -9.782 6.205 1.00 0.00 H new ATOM 0 HG23 THR A 85 10.569 -9.842 5.685 1.00 0.00 H new ATOM 1230 N LEU A 86 7.584 -10.380 3.694 1.00 0.00 N ATOM 1231 CA LEU A 86 6.312 -11.091 3.812 1.00 0.00 C ATOM 1232 C LEU A 86 6.318 -11.929 5.088 1.00 0.00 C ATOM 1233 O LEU A 86 7.386 -12.227 5.623 1.00 0.00 O ATOM 1234 CB LEU A 86 6.091 -11.954 2.565 1.00 0.00 C ATOM 1235 CG LEU A 86 4.614 -12.294 2.322 1.00 0.00 C ATOM 1236 CD1 LEU A 86 4.009 -11.230 1.412 1.00 0.00 C ATOM 1237 CD2 LEU A 86 4.460 -13.668 1.678 1.00 0.00 C ATOM 0 H LEU A 86 8.377 -10.992 3.503 1.00 0.00 H new ATOM 0 HA LEU A 86 5.486 -10.383 3.878 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.485 -11.431 1.694 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.659 -12.879 2.665 1.00 0.00 H new ATOM 0 HG LEU A 86 4.096 -12.314 3.281 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.959 -11.460 1.231 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.090 -10.254 1.890 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.546 -11.215 0.463 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.402 -13.879 1.519 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.981 -13.681 0.720 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.887 -14.427 2.334 1.00 0.00 H new ATOM 1249 N ARG A 87 5.151 -12.322 5.601 1.00 0.00 N ATOM 1250 CA ARG A 87 5.039 -13.097 6.836 1.00 0.00 C ATOM 1251 C ARG A 87 3.991 -14.189 6.671 1.00 0.00 C ATOM 1252 O ARG A 87 4.291 -15.359 6.900 1.00 0.00 O ATOM 1253 CB ARG A 87 4.760 -12.115 7.981 1.00 0.00 C ATOM 1254 CG ARG A 87 4.741 -12.746 9.363 1.00 0.00 C ATOM 1255 CD ARG A 87 4.442 -11.671 10.412 1.00 0.00 C ATOM 1256 NE ARG A 87 4.505 -12.272 11.742 1.00 0.00 N ATOM 1257 CZ ARG A 87 5.614 -12.584 12.416 1.00 0.00 C ATOM 1258 NH1 ARG A 87 6.777 -11.985 12.171 1.00 0.00 N ATOM 1259 NH2 ARG A 87 5.549 -13.500 13.366 1.00 0.00 N ATOM 0 H ARG A 87 4.252 -12.110 5.168 1.00 0.00 H new ATOM 0 HA ARG A 87 5.962 -13.624 7.076 1.00 0.00 H new ATOM 0 HB2 ARG A 87 5.518 -11.332 7.964 1.00 0.00 H new ATOM 0 HB3 ARG A 87 3.799 -11.633 7.803 1.00 0.00 H new ATOM 0 HG2 ARG A 87 3.986 -13.531 9.406 1.00 0.00 H new ATOM 0 HG3 ARG A 87 5.702 -13.216 9.573 1.00 0.00 H new ATOM 0 HD2 ARG A 87 5.163 -10.857 10.332 1.00 0.00 H new ATOM 0 HD3 ARG A 87 3.455 -11.241 10.240 1.00 0.00 H new ATOM 0 HE ARG A 87 3.616 -12.473 12.200 1.00 0.00 H new ATOM 0 HH11 ARG A 87 6.838 -11.265 11.451 1.00 0.00 H new ATOM 0 HH12 ARG A 87 7.607 -12.246 12.703 1.00 0.00 H new ATOM 0 HH21 ARG A 87 4.661 -13.957 13.574 1.00 0.00 H new ATOM 0 HH22 ARG A 87 6.387 -13.751 13.891 1.00 0.00 H new ATOM 1273 N ASP A 88 2.807 -13.829 6.194 1.00 0.00 N ATOM 1274 CA ASP A 88 1.742 -14.732 5.784 1.00 0.00 C ATOM 1275 C ASP A 88 1.177 -14.154 4.488 1.00 0.00 C ATOM 1276 O ASP A 88 1.432 -12.998 4.155 1.00 0.00 O ATOM 1277 CB ASP A 88 0.602 -14.754 6.822 1.00 0.00 C ATOM 1278 CG ASP A 88 0.895 -15.426 8.169 1.00 0.00 C ATOM 1279 OD1 ASP A 88 1.674 -14.893 8.989 1.00 0.00 O ATOM 1280 OD2 ASP A 88 0.180 -16.404 8.499 1.00 0.00 O ATOM 0 H ASP A 88 2.551 -12.849 6.077 1.00 0.00 H new ATOM 0 HA ASP A 88 2.130 -15.745 5.675 1.00 0.00 H new ATOM 0 HB2 ASP A 88 0.302 -13.724 7.016 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -0.255 -15.257 6.373 1.00 0.00 H new ATOM 1285 N ASP A 89 0.270 -14.880 3.837 1.00 0.00 N ATOM 1286 CA ASP A 89 -0.528 -14.372 2.709 1.00 0.00 C ATOM 1287 C ASP A 89 -1.502 -13.261 3.151 1.00 0.00 C ATOM 1288 O ASP A 89 -2.156 -12.617 2.326 1.00 0.00 O ATOM 1289 CB ASP A 89 -1.250 -15.520 1.977 1.00 0.00 C ATOM 1290 CG ASP A 89 -0.430 -16.060 0.794 1.00 0.00 C ATOM 1291 OD1 ASP A 89 -0.363 -15.398 -0.265 1.00 0.00 O ATOM 1292 OD2 ASP A 89 0.166 -17.155 0.958 1.00 0.00 O ATOM 0 H ASP A 89 0.062 -15.849 4.076 1.00 0.00 H new ATOM 0 HA ASP A 89 0.160 -13.916 1.997 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -1.448 -16.329 2.680 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -2.217 -15.168 1.616 1.00 0.00 H new ATOM 1297 N ARG A 90 -1.596 -13.005 4.465 1.00 0.00 N ATOM 1298 CA ARG A 90 -2.439 -11.972 5.063 1.00 0.00 C ATOM 1299 C ARG A 90 -1.689 -10.885 5.817 1.00 0.00 C ATOM 1300 O ARG A 90 -2.283 -9.849 6.099 1.00 0.00 O ATOM 1301 CB ARG A 90 -3.485 -12.590 5.994 1.00 0.00 C ATOM 1302 CG ARG A 90 -2.896 -13.359 7.187 1.00 0.00 C ATOM 1303 CD ARG A 90 -4.017 -13.549 8.218 1.00 0.00 C ATOM 1304 NE ARG A 90 -3.536 -13.858 9.576 1.00 0.00 N ATOM 1305 CZ ARG A 90 -4.150 -13.493 10.711 1.00 0.00 C ATOM 1306 NH1 ARG A 90 -5.285 -12.802 10.709 1.00 0.00 N ATOM 1307 NH2 ARG A 90 -3.618 -13.845 11.870 1.00 0.00 N ATOM 0 H ARG A 90 -1.067 -13.533 5.159 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.914 -11.486 4.210 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.132 -11.798 6.371 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.114 -13.267 5.416 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -2.505 -14.324 6.865 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -2.063 -12.808 7.624 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.620 -12.642 8.255 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -4.672 -14.354 7.884 1.00 0.00 H new ATOM 0 HE ARG A 90 -2.670 -14.390 9.659 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -5.716 -12.533 9.825 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -5.725 -12.541 11.592 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -2.753 -14.386 11.891 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -4.072 -13.575 12.743 1.00 0.00 H new ATOM 1321 N GLN A 91 -0.435 -11.113 6.201 1.00 0.00 N ATOM 1322 CA GLN A 91 0.337 -10.153 6.967 1.00 0.00 C ATOM 1323 C GLN A 91 1.673 -10.015 6.272 1.00 0.00 C ATOM 1324 O GLN A 91 2.355 -11.005 6.015 1.00 0.00 O ATOM 1325 CB GLN A 91 0.592 -10.603 8.404 1.00 0.00 C ATOM 1326 CG GLN A 91 -0.620 -10.715 9.337 1.00 0.00 C ATOM 1327 CD GLN A 91 -0.189 -10.548 10.794 1.00 0.00 C ATOM 1328 OE1 GLN A 91 -0.101 -11.511 11.555 1.00 0.00 O ATOM 1329 NE2 GLN A 91 0.162 -9.335 11.192 1.00 0.00 N ATOM 0 H GLN A 91 0.070 -11.973 5.986 1.00 0.00 H new ATOM 0 HA GLN A 91 -0.223 -9.219 7.017 1.00 0.00 H new ATOM 0 HB2 GLN A 91 1.081 -11.577 8.370 1.00 0.00 H new ATOM 0 HB3 GLN A 91 1.300 -9.907 8.854 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -1.356 -9.954 9.080 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -1.102 -11.683 9.203 1.00 0.00 H new ATOM 0 HE21 GLN A 91 0.084 -8.545 10.551 1.00 0.00 H new ATOM 0 HE22 GLN A 91 0.510 -9.190 12.140 1.00 0.00 H new ATOM 1338 N PHE A 92 2.042 -8.783 5.988 1.00 0.00 N ATOM 1339 CA PHE A 92 3.260 -8.451 5.269 1.00 0.00 C ATOM 1340 C PHE A 92 3.517 -6.956 5.354 1.00 0.00 C ATOM 1341 O PHE A 92 2.648 -6.186 5.780 1.00 0.00 O ATOM 1342 CB PHE A 92 3.174 -8.933 3.814 1.00 0.00 C ATOM 1343 CG PHE A 92 1.884 -8.639 3.077 1.00 0.00 C ATOM 1344 CD1 PHE A 92 1.710 -7.439 2.368 1.00 0.00 C ATOM 1345 CD2 PHE A 92 0.851 -9.590 3.096 1.00 0.00 C ATOM 1346 CE1 PHE A 92 0.499 -7.178 1.707 1.00 0.00 C ATOM 1347 CE2 PHE A 92 -0.376 -9.309 2.482 1.00 0.00 C ATOM 1348 CZ PHE A 92 -0.555 -8.107 1.776 1.00 0.00 C ATOM 0 H PHE A 92 1.494 -7.966 6.255 1.00 0.00 H new ATOM 0 HA PHE A 92 4.103 -8.964 5.731 1.00 0.00 H new ATOM 0 HB2 PHE A 92 3.995 -8.482 3.257 1.00 0.00 H new ATOM 0 HB3 PHE A 92 3.335 -10.011 3.802 1.00 0.00 H new ATOM 0 HD1 PHE A 92 2.510 -6.715 2.331 1.00 0.00 H new ATOM 0 HD2 PHE A 92 1.003 -10.541 3.585 1.00 0.00 H new ATOM 0 HE1 PHE A 92 0.377 -6.264 1.145 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -1.187 -10.018 2.551 1.00 0.00 H new ATOM 0 HZ PHE A 92 -1.496 -7.898 1.289 1.00 0.00 H new ATOM 1358 N ALA A 93 4.729 -6.569 4.977 1.00 0.00 N ATOM 1359 CA ALA A 93 5.159 -5.196 4.885 1.00 0.00 C ATOM 1360 C ALA A 93 4.872 -4.645 3.485 1.00 0.00 C ATOM 1361 O ALA A 93 4.485 -5.394 2.587 1.00 0.00 O ATOM 1362 CB ALA A 93 6.651 -5.109 5.225 1.00 0.00 C ATOM 0 H ALA A 93 5.459 -7.233 4.720 1.00 0.00 H new ATOM 0 HA ALA A 93 4.605 -4.587 5.599 1.00 0.00 H new ATOM 0 HB1 ALA A 93 6.980 -4.072 5.156 1.00 0.00 H new ATOM 0 HB2 ALA A 93 6.815 -5.476 6.238 1.00 0.00 H new ATOM 0 HB3 ALA A 93 7.220 -5.717 4.522 1.00 0.00 H new ATOM 1368 N ILE A 94 5.123 -3.351 3.285 1.00 0.00 N ATOM 1369 CA ILE A 94 5.356 -2.742 1.984 1.00 0.00 C ATOM 1370 C ILE A 94 6.429 -1.654 2.126 1.00 0.00 C ATOM 1371 O ILE A 94 6.383 -0.861 3.067 1.00 0.00 O ATOM 1372 CB ILE A 94 4.057 -2.163 1.378 1.00 0.00 C ATOM 1373 CG1 ILE A 94 3.227 -1.362 2.405 1.00 0.00 C ATOM 1374 CG2 ILE A 94 3.208 -3.254 0.703 1.00 0.00 C ATOM 1375 CD1 ILE A 94 2.055 -0.595 1.795 1.00 0.00 C ATOM 0 H ILE A 94 5.170 -2.680 4.052 1.00 0.00 H new ATOM 0 HA ILE A 94 5.705 -3.512 1.296 1.00 0.00 H new ATOM 0 HB ILE A 94 4.368 -1.458 0.607 1.00 0.00 H new ATOM 0 HG12 ILE A 94 2.845 -2.047 3.161 1.00 0.00 H new ATOM 0 HG13 ILE A 94 3.883 -0.657 2.916 1.00 0.00 H new ATOM 0 HG21 ILE A 94 2.304 -2.807 0.289 1.00 0.00 H new ATOM 0 HG22 ILE A 94 3.783 -3.718 -0.098 1.00 0.00 H new ATOM 0 HG23 ILE A 94 2.935 -4.010 1.439 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.523 -0.059 2.581 1.00 0.00 H new ATOM 0 HD12 ILE A 94 2.429 0.117 1.059 1.00 0.00 H new ATOM 0 HD13 ILE A 94 1.375 -1.295 1.309 1.00 0.00 H new ATOM 1387 N ARG A 95 7.369 -1.582 1.180 1.00 0.00 N ATOM 1388 CA ARG A 95 8.207 -0.418 0.896 1.00 0.00 C ATOM 1389 C ARG A 95 7.485 0.388 -0.166 1.00 0.00 C ATOM 1390 O ARG A 95 7.203 -0.131 -1.239 1.00 0.00 O ATOM 1391 CB ARG A 95 9.592 -0.863 0.388 1.00 0.00 C ATOM 1392 CG ARG A 95 10.499 0.292 -0.072 1.00 0.00 C ATOM 1393 CD ARG A 95 11.104 1.070 1.102 1.00 0.00 C ATOM 1394 NE ARG A 95 12.245 0.333 1.651 1.00 0.00 N ATOM 1395 CZ ARG A 95 12.669 0.212 2.910 1.00 0.00 C ATOM 1396 NH1 ARG A 95 12.095 0.895 3.901 1.00 0.00 N ATOM 1397 NH2 ARG A 95 13.692 -0.596 3.139 1.00 0.00 N ATOM 0 H ARG A 95 7.574 -2.369 0.565 1.00 0.00 H new ATOM 0 HA ARG A 95 8.369 0.177 1.795 1.00 0.00 H new ATOM 0 HB2 ARG A 95 10.098 -1.413 1.182 1.00 0.00 H new ATOM 0 HB3 ARG A 95 9.456 -1.556 -0.443 1.00 0.00 H new ATOM 0 HG2 ARG A 95 11.302 -0.107 -0.691 1.00 0.00 H new ATOM 0 HG3 ARG A 95 9.923 0.974 -0.697 1.00 0.00 H new ATOM 0 HD2 ARG A 95 11.423 2.058 0.769 1.00 0.00 H new ATOM 0 HD3 ARG A 95 10.351 1.222 1.876 1.00 0.00 H new ATOM 0 HE ARG A 95 12.804 -0.167 0.960 1.00 0.00 H new ATOM 0 HH11 ARG A 95 11.317 1.524 3.703 1.00 0.00 H new ATOM 0 HH12 ARG A 95 12.434 0.788 4.857 1.00 0.00 H new ATOM 0 HH21 ARG A 95 14.127 -1.100 2.366 1.00 0.00 H new ATOM 0 HH22 ARG A 95 14.045 -0.715 4.088 1.00 0.00 H new ATOM 1411 N LEU A 96 7.214 1.652 0.113 1.00 0.00 N ATOM 1412 CA LEU A 96 6.659 2.604 -0.836 1.00 0.00 C ATOM 1413 C LEU A 96 7.759 3.113 -1.765 1.00 0.00 C ATOM 1414 O LEU A 96 8.860 3.418 -1.291 1.00 0.00 O ATOM 1415 CB LEU A 96 6.095 3.773 -0.021 1.00 0.00 C ATOM 1416 CG LEU A 96 4.589 3.722 0.322 1.00 0.00 C ATOM 1417 CD1 LEU A 96 3.941 2.341 0.360 1.00 0.00 C ATOM 1418 CD2 LEU A 96 4.364 4.388 1.686 1.00 0.00 C ATOM 0 H LEU A 96 7.379 2.057 1.035 1.00 0.00 H new ATOM 0 HA LEU A 96 5.884 2.138 -1.444 1.00 0.00 H new ATOM 0 HB2 LEU A 96 6.654 3.837 0.913 1.00 0.00 H new ATOM 0 HB3 LEU A 96 6.287 4.694 -0.571 1.00 0.00 H new ATOM 0 HG LEU A 96 4.107 4.245 -0.504 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.885 2.441 0.611 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.038 1.867 -0.617 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.436 1.727 1.112 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.303 4.356 1.936 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.933 3.856 2.449 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.696 5.425 1.644 1.00 0.00 H new ATOM 1430 N VAL A 97 7.446 3.289 -3.051 1.00 0.00 N ATOM 1431 CA VAL A 97 8.309 3.919 -4.039 1.00 0.00 C ATOM 1432 C VAL A 97 7.511 4.878 -4.933 1.00 0.00 C ATOM 1433 O VAL A 97 6.293 4.765 -5.071 1.00 0.00 O ATOM 1434 CB VAL A 97 9.045 2.847 -4.866 1.00 0.00 C ATOM 1435 CG1 VAL A 97 9.991 2.003 -4.001 1.00 0.00 C ATOM 1436 CG2 VAL A 97 8.136 1.913 -5.681 1.00 0.00 C ATOM 0 H VAL A 97 6.554 2.985 -3.441 1.00 0.00 H new ATOM 0 HA VAL A 97 9.060 4.514 -3.519 1.00 0.00 H new ATOM 0 HB VAL A 97 9.617 3.431 -5.587 1.00 0.00 H new ATOM 0 HG11 VAL A 97 10.489 1.260 -4.624 1.00 0.00 H new ATOM 0 HG12 VAL A 97 10.738 2.650 -3.541 1.00 0.00 H new ATOM 0 HG13 VAL A 97 9.419 1.498 -3.222 1.00 0.00 H new ATOM 0 HG21 VAL A 97 8.748 1.195 -6.227 1.00 0.00 H new ATOM 0 HG22 VAL A 97 7.465 1.379 -5.008 1.00 0.00 H new ATOM 0 HG23 VAL A 97 7.549 2.501 -6.387 1.00 0.00 H new ATOM 1446 N GLY A 98 8.210 5.822 -5.560 1.00 0.00 N ATOM 1447 CA GLY A 98 7.736 6.637 -6.672 1.00 0.00 C ATOM 1448 C GLY A 98 7.307 8.052 -6.320 1.00 0.00 C ATOM 1449 O GLY A 98 7.060 8.857 -7.221 1.00 0.00 O ATOM 0 H GLY A 98 9.168 6.049 -5.292 1.00 0.00 H new ATOM 0 HA2 GLY A 98 8.527 6.693 -7.420 1.00 0.00 H new ATOM 0 HA3 GLY A 98 6.893 6.127 -7.138 1.00 0.00 H new ATOM 1453 N ARG A 99 7.319 8.368 -5.032 1.00 0.00 N ATOM 1454 CA ARG A 99 6.853 9.557 -4.350 1.00 0.00 C ATOM 1455 C ARG A 99 5.377 9.829 -4.621 1.00 0.00 C ATOM 1456 O ARG A 99 4.914 9.920 -5.755 1.00 0.00 O ATOM 1457 CB ARG A 99 7.792 10.738 -4.618 1.00 0.00 C ATOM 1458 CG ARG A 99 7.891 11.683 -3.407 1.00 0.00 C ATOM 1459 CD ARG A 99 6.833 12.778 -3.478 1.00 0.00 C ATOM 1460 NE ARG A 99 7.285 13.965 -4.231 1.00 0.00 N ATOM 1461 CZ ARG A 99 8.178 14.889 -3.835 1.00 0.00 C ATOM 1462 NH1 ARG A 99 8.715 14.876 -2.622 1.00 0.00 N ATOM 1463 NH2 ARG A 99 8.540 15.839 -4.699 1.00 0.00 N ATOM 0 H ARG A 99 7.707 7.707 -4.359 1.00 0.00 H new ATOM 0 HA ARG A 99 6.896 9.390 -3.274 1.00 0.00 H new ATOM 0 HB2 ARG A 99 8.785 10.363 -4.867 1.00 0.00 H new ATOM 0 HB3 ARG A 99 7.435 11.295 -5.484 1.00 0.00 H new ATOM 0 HG2 ARG A 99 7.768 11.113 -2.486 1.00 0.00 H new ATOM 0 HG3 ARG A 99 8.883 12.133 -3.373 1.00 0.00 H new ATOM 0 HD2 ARG A 99 5.934 12.378 -3.946 1.00 0.00 H new ATOM 0 HD3 ARG A 99 6.559 13.078 -2.466 1.00 0.00 H new ATOM 0 HE ARG A 99 6.874 14.099 -5.155 1.00 0.00 H new ATOM 0 HH11 ARG A 99 8.453 14.149 -1.956 1.00 0.00 H new ATOM 0 HH12 ARG A 99 9.390 15.593 -2.355 1.00 0.00 H new ATOM 0 HH21 ARG A 99 8.141 15.854 -5.638 1.00 0.00 H new ATOM 0 HH22 ARG A 99 9.216 16.551 -4.421 1.00 0.00 H new ATOM 1477 N VAL A 100 4.624 9.940 -3.541 1.00 0.00 N ATOM 1478 CA VAL A 100 3.188 10.175 -3.561 1.00 0.00 C ATOM 1479 C VAL A 100 2.968 11.644 -3.968 1.00 0.00 C ATOM 1480 O VAL A 100 3.643 12.509 -3.399 1.00 0.00 O ATOM 1481 CB VAL A 100 2.609 10.028 -2.154 1.00 0.00 C ATOM 1482 CG1 VAL A 100 1.123 9.788 -2.301 1.00 0.00 C ATOM 1483 CG2 VAL A 100 3.175 8.911 -1.288 1.00 0.00 C ATOM 0 H VAL A 100 5.004 9.867 -2.597 1.00 0.00 H new ATOM 0 HA VAL A 100 2.715 9.467 -4.242 1.00 0.00 H new ATOM 0 HB VAL A 100 2.877 10.948 -1.635 1.00 0.00 H new ATOM 0 HG11 VAL A 100 0.673 9.678 -1.314 1.00 0.00 H new ATOM 0 HG12 VAL A 100 0.667 10.634 -2.815 1.00 0.00 H new ATOM 0 HG13 VAL A 100 0.957 8.879 -2.879 1.00 0.00 H new ATOM 0 HG21 VAL A 100 2.679 8.917 -0.317 1.00 0.00 H new ATOM 0 HG22 VAL A 100 3.006 7.951 -1.776 1.00 0.00 H new ATOM 0 HG23 VAL A 100 4.245 9.065 -1.150 1.00 0.00 H new ATOM 1493 N ARG A 101 2.008 11.990 -4.838 1.00 0.00 N ATOM 1494 CA ARG A 101 1.706 13.407 -5.103 1.00 0.00 C ATOM 1495 C ARG A 101 0.264 13.677 -5.527 1.00 0.00 C ATOM 1496 O ARG A 101 0.027 14.325 -6.545 1.00 0.00 O ATOM 1497 CB ARG A 101 2.776 14.023 -6.028 1.00 0.00 C ATOM 1498 CG ARG A 101 3.083 13.339 -7.374 1.00 0.00 C ATOM 1499 CD ARG A 101 2.291 13.923 -8.561 1.00 0.00 C ATOM 1500 NE ARG A 101 3.170 14.396 -9.647 1.00 0.00 N ATOM 1501 CZ ARG A 101 3.965 15.472 -9.594 1.00 0.00 C ATOM 1502 NH1 ARG A 101 4.088 16.148 -8.456 1.00 0.00 N ATOM 1503 NH2 ARG A 101 4.654 15.856 -10.657 1.00 0.00 N ATOM 0 H ARG A 101 1.437 11.326 -5.361 1.00 0.00 H new ATOM 0 HA ARG A 101 1.768 13.934 -4.151 1.00 0.00 H new ATOM 0 HB2 ARG A 101 2.476 15.049 -6.241 1.00 0.00 H new ATOM 0 HB3 ARG A 101 3.708 14.074 -5.465 1.00 0.00 H new ATOM 0 HG2 ARG A 101 4.149 13.428 -7.582 1.00 0.00 H new ATOM 0 HG3 ARG A 101 2.862 12.275 -7.290 1.00 0.00 H new ATOM 0 HD2 ARG A 101 1.614 13.163 -8.951 1.00 0.00 H new ATOM 0 HD3 ARG A 101 1.674 14.750 -8.210 1.00 0.00 H new ATOM 0 HE ARG A 101 3.172 13.857 -10.513 1.00 0.00 H new ATOM 0 HH11 ARG A 101 3.577 15.847 -7.626 1.00 0.00 H new ATOM 0 HH12 ARG A 101 4.693 16.968 -8.413 1.00 0.00 H new ATOM 0 HH21 ARG A 101 4.582 15.331 -11.528 1.00 0.00 H new ATOM 0 HH22 ARG A 101 5.256 16.677 -10.605 1.00 0.00 H new