USER MOD reduce.3.24.130724 H: found=0, std=0, add=503, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 503 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 71 HIS : no HE2:sc= 0.00462 X(o=0.0046,f=-0.4) USER MOD Set 1.2: A 73 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 13 CYS SG : rot 180:sc= 0.0535 USER MOD Set 2.2: A 14 THR OG1 : rot 180:sc= 0 USER MOD Set 2.3: A 17 MET CE :methyl 178:sc= -2! (180deg=-2.1!) USER MOD Single : A 18 THR OG1 : rot 100:sc= -0.895 USER MOD Single : A 27 SER OG : rot -98:sc= 1.19 USER MOD Single : A 28 GLN : amide:sc= -0.311 K(o=-0.31,f=-2.8!) USER MOD Single : A 29 TYR OH : rot 25:sc= 0.0127 USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot -10:sc= 0.262 USER MOD Single : A 53 GLN : amide:sc= -0.163 K(o=-0.16,f=-2.5!) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 CYS SG : rot 55:sc= 1.2 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -5.348 6.578 0.785 1.00 0.00 N ATOM 60 CA GLY A 7 -4.282 5.627 1.034 1.00 0.00 C ATOM 61 C GLY A 7 -4.699 4.524 1.984 1.00 0.00 C ATOM 62 O GLY A 7 -5.488 4.750 2.902 1.00 0.00 O ATOM 0 HA2 GLY A 7 -3.964 5.187 0.089 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.421 6.152 1.447 1.00 0.00 H new ATOM 66 N VAL A 8 -4.169 3.324 1.766 1.00 0.00 N ATOM 67 CA VAL A 8 -4.492 2.181 2.611 1.00 0.00 C ATOM 68 C VAL A 8 -3.230 1.434 3.031 1.00 0.00 C ATOM 69 O VAL A 8 -2.222 1.449 2.324 1.00 0.00 O ATOM 70 CB VAL A 8 -5.439 1.200 1.892 1.00 0.00 C ATOM 71 CG1 VAL A 8 -6.807 1.833 1.690 1.00 0.00 C ATOM 72 CG2 VAL A 8 -4.842 0.764 0.563 1.00 0.00 C ATOM 0 H VAL A 8 -3.514 3.119 1.011 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.991 2.574 3.497 1.00 0.00 H new ATOM 0 HB VAL A 8 -5.563 0.315 2.516 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -7.463 1.127 1.181 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.235 2.092 2.659 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -6.705 2.734 1.085 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.523 0.072 0.068 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.688 1.637 -0.071 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -3.886 0.270 0.738 1.00 0.00 H new ATOM 82 N PHE A 9 -3.293 0.781 4.187 1.00 0.00 N ATOM 83 CA PHE A 9 -2.155 0.028 4.702 1.00 0.00 C ATOM 84 C PHE A 9 -2.367 -1.472 4.517 1.00 0.00 C ATOM 85 O PHE A 9 -3.123 -2.100 5.258 1.00 0.00 O ATOM 86 CB PHE A 9 -1.936 0.345 6.183 1.00 0.00 C ATOM 87 CG PHE A 9 -1.409 1.729 6.428 1.00 0.00 C ATOM 88 CD1 PHE A 9 -0.270 2.176 5.778 1.00 0.00 C ATOM 89 CD2 PHE A 9 -2.050 2.584 7.310 1.00 0.00 C ATOM 90 CE1 PHE A 9 0.219 3.450 6.000 1.00 0.00 C ATOM 91 CE2 PHE A 9 -1.567 3.858 7.536 1.00 0.00 C ATOM 92 CZ PHE A 9 -0.431 4.292 6.882 1.00 0.00 C ATOM 0 H PHE A 9 -4.119 0.758 4.784 1.00 0.00 H new ATOM 0 HA PHE A 9 -1.270 0.324 4.139 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -2.879 0.225 6.715 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -1.239 -0.380 6.602 1.00 0.00 H new ATOM 0 HD1 PHE A 9 0.242 1.521 5.089 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -2.938 2.250 7.827 1.00 0.00 H new ATOM 0 HE1 PHE A 9 1.107 3.786 5.485 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -2.078 4.515 8.224 1.00 0.00 H new ATOM 0 HZ PHE A 9 -0.051 5.287 7.059 1.00 0.00 H new ATOM 102 N VAL A 10 -1.692 -2.040 3.521 1.00 0.00 N ATOM 103 CA VAL A 10 -1.806 -3.465 3.238 1.00 0.00 C ATOM 104 C VAL A 10 -1.073 -4.294 4.288 1.00 0.00 C ATOM 105 O VAL A 10 0.034 -4.778 4.051 1.00 0.00 O ATOM 106 CB VAL A 10 -1.242 -3.807 1.846 1.00 0.00 C ATOM 107 CG1 VAL A 10 -1.353 -5.300 1.576 1.00 0.00 C ATOM 108 CG2 VAL A 10 -1.962 -3.008 0.770 1.00 0.00 C ATOM 0 H VAL A 10 -1.062 -1.535 2.898 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.868 -3.709 3.262 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.186 -3.536 1.824 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.950 -5.522 0.588 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.789 -5.849 2.330 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.400 -5.600 1.616 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.551 -3.261 -0.207 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.025 -3.247 0.790 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.826 -1.943 0.956 1.00 0.00 H new ATOM 118 N GLY A 11 -1.699 -4.454 5.450 1.00 0.00 N ATOM 119 CA GLY A 11 -1.091 -5.225 6.519 1.00 0.00 C ATOM 120 C GLY A 11 -1.006 -6.703 6.193 1.00 0.00 C ATOM 121 O GLY A 11 -1.613 -7.168 5.228 1.00 0.00 O ATOM 0 H GLY A 11 -2.615 -4.064 5.670 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -0.090 -4.841 6.715 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -1.669 -5.091 7.433 1.00 0.00 H new ATOM 125 N ARG A 12 -0.249 -7.442 6.996 1.00 0.00 N ATOM 126 CA ARG A 12 -0.084 -8.876 6.785 1.00 0.00 C ATOM 127 C ARG A 12 0.558 -9.155 5.428 1.00 0.00 C ATOM 128 O ARG A 12 0.055 -9.964 4.648 1.00 0.00 O ATOM 129 CB ARG A 12 -1.435 -9.585 6.878 1.00 0.00 C ATOM 130 CG ARG A 12 -1.764 -10.089 8.273 1.00 0.00 C ATOM 131 CD ARG A 12 -2.560 -11.384 8.225 1.00 0.00 C ATOM 132 NE ARG A 12 -1.840 -12.492 8.846 1.00 0.00 N ATOM 133 CZ ARG A 12 -2.258 -13.753 8.809 1.00 0.00 C ATOM 134 NH1 ARG A 12 -3.384 -14.063 8.182 1.00 0.00 N ATOM 135 NH2 ARG A 12 -1.547 -14.707 9.397 1.00 0.00 N ATOM 0 H ARG A 12 0.260 -7.072 7.799 1.00 0.00 H new ATOM 0 HA ARG A 12 0.574 -9.260 7.565 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -2.218 -8.900 6.555 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -1.442 -10.427 6.186 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -0.841 -10.249 8.830 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -2.333 -9.330 8.810 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -3.514 -11.242 8.732 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -2.784 -11.633 7.188 1.00 0.00 H new ATOM 0 HE ARG A 12 -0.969 -12.287 9.335 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -3.932 -13.333 7.727 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -3.703 -15.032 8.155 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -0.679 -14.473 9.878 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -1.869 -15.674 9.368 1.00 0.00 H new ATOM 149 N CYS A 13 1.669 -8.480 5.156 1.00 0.00 N ATOM 150 CA CYS A 13 2.378 -8.654 3.893 1.00 0.00 C ATOM 151 C CYS A 13 3.774 -9.223 4.127 1.00 0.00 C ATOM 152 O CYS A 13 4.163 -9.493 5.264 1.00 0.00 O ATOM 153 CB CYS A 13 2.476 -7.320 3.151 1.00 0.00 C ATOM 154 SG CYS A 13 2.332 -7.463 1.354 1.00 0.00 S ATOM 0 H CYS A 13 2.098 -7.808 5.792 1.00 0.00 H new ATOM 0 HA CYS A 13 1.815 -9.360 3.283 1.00 0.00 H new ATOM 0 HB2 CYS A 13 1.693 -6.655 3.516 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.430 -6.851 3.392 1.00 0.00 H new ATOM 0 HG CYS A 13 2.425 -6.283 0.816 1.00 0.00 H new ATOM 160 N THR A 14 4.523 -9.407 3.044 1.00 0.00 N ATOM 161 CA THR A 14 5.874 -9.947 3.131 1.00 0.00 C ATOM 162 C THR A 14 6.860 -9.089 2.348 1.00 0.00 C ATOM 163 O THR A 14 6.488 -8.421 1.384 1.00 0.00 O ATOM 164 CB THR A 14 5.935 -11.392 2.602 1.00 0.00 C ATOM 165 OG1 THR A 14 5.531 -11.429 1.229 1.00 0.00 O ATOM 166 CG2 THR A 14 5.042 -12.308 3.424 1.00 0.00 C ATOM 0 H THR A 14 4.216 -9.190 2.096 1.00 0.00 H new ATOM 0 HA THR A 14 6.150 -9.942 4.185 1.00 0.00 H new ATOM 0 HB THR A 14 6.964 -11.743 2.687 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.574 -12.351 0.900 1.00 0.00 H new ATOM 0 HG21 THR A 14 5.102 -13.323 3.031 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.372 -12.301 4.463 1.00 0.00 H new ATOM 0 HG23 THR A 14 4.011 -11.958 3.368 1.00 0.00 H new ATOM 174 N GLY A 15 8.122 -9.111 2.769 1.00 0.00 N ATOM 175 CA GLY A 15 9.142 -8.331 2.095 1.00 0.00 C ATOM 176 C GLY A 15 9.326 -8.742 0.648 1.00 0.00 C ATOM 177 O GLY A 15 9.428 -7.894 -0.238 1.00 0.00 O ATOM 0 H GLY A 15 8.455 -9.655 3.565 1.00 0.00 H new ATOM 0 HA2 GLY A 15 8.875 -7.275 2.138 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.089 -8.442 2.624 1.00 0.00 H new ATOM 181 N ASP A 16 9.369 -10.048 0.407 1.00 0.00 N ATOM 182 CA ASP A 16 9.542 -10.571 -0.943 1.00 0.00 C ATOM 183 C ASP A 16 8.769 -9.731 -1.955 1.00 0.00 C ATOM 184 O ASP A 16 9.334 -9.242 -2.933 1.00 0.00 O ATOM 185 CB ASP A 16 9.081 -12.027 -1.012 1.00 0.00 C ATOM 186 CG ASP A 16 10.225 -13.007 -0.842 1.00 0.00 C ATOM 187 OD1 ASP A 16 10.935 -12.918 0.183 1.00 0.00 O ATOM 188 OD2 ASP A 16 10.412 -13.862 -1.732 1.00 0.00 O ATOM 0 H ASP A 16 9.286 -10.764 1.129 1.00 0.00 H new ATOM 0 HA ASP A 16 10.602 -10.522 -1.192 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.336 -12.206 -0.237 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.594 -12.205 -1.970 1.00 0.00 H new ATOM 193 N MET A 17 7.472 -9.568 -1.713 1.00 0.00 N ATOM 194 CA MET A 17 6.621 -8.788 -2.603 1.00 0.00 C ATOM 195 C MET A 17 7.293 -7.472 -2.982 1.00 0.00 C ATOM 196 O MET A 17 8.175 -6.986 -2.273 1.00 0.00 O ATOM 197 CB MET A 17 5.270 -8.510 -1.939 1.00 0.00 C ATOM 198 CG MET A 17 4.393 -9.745 -1.808 1.00 0.00 C ATOM 199 SD MET A 17 2.643 -9.341 -1.660 1.00 0.00 S ATOM 200 CE MET A 17 2.086 -10.642 -0.562 1.00 0.00 C ATOM 0 H MET A 17 6.988 -9.966 -0.908 1.00 0.00 H new ATOM 0 HA MET A 17 6.459 -9.369 -3.511 1.00 0.00 H new ATOM 0 HB2 MET A 17 5.441 -8.089 -0.948 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.738 -7.756 -2.519 1.00 0.00 H new ATOM 0 HG2 MET A 17 4.542 -10.385 -2.677 1.00 0.00 H new ATOM 0 HG3 MET A 17 4.705 -10.317 -0.934 1.00 0.00 H new ATOM 0 HE1 MET A 17 1.026 -10.507 -0.346 1.00 0.00 H new ATOM 0 HE2 MET A 17 2.239 -11.610 -1.038 1.00 0.00 H new ATOM 0 HE3 MET A 17 2.654 -10.601 0.368 1.00 0.00 H new ATOM 210 N THR A 18 6.872 -6.899 -4.105 1.00 0.00 N ATOM 211 CA THR A 18 7.434 -5.641 -4.579 1.00 0.00 C ATOM 212 C THR A 18 6.336 -4.666 -4.987 1.00 0.00 C ATOM 213 O THR A 18 5.305 -5.069 -5.527 1.00 0.00 O ATOM 214 CB THR A 18 8.378 -5.863 -5.775 1.00 0.00 C ATOM 215 OG1 THR A 18 7.750 -6.706 -6.745 1.00 0.00 O ATOM 216 CG2 THR A 18 9.688 -6.490 -5.321 1.00 0.00 C ATOM 0 H THR A 18 6.143 -7.287 -4.704 1.00 0.00 H new ATOM 0 HA THR A 18 8.002 -5.217 -3.751 1.00 0.00 H new ATOM 0 HB THR A 18 8.594 -4.894 -6.224 1.00 0.00 H new ATOM 0 HG1 THR A 18 7.387 -6.156 -7.470 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.339 -6.637 -6.183 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.178 -5.830 -4.605 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.487 -7.452 -4.850 1.00 0.00 H new ATOM 224 N GLU A 19 6.562 -3.382 -4.727 1.00 0.00 N ATOM 225 CA GLU A 19 5.590 -2.351 -5.069 1.00 0.00 C ATOM 226 C GLU A 19 4.919 -2.657 -6.406 1.00 0.00 C ATOM 227 O GLU A 19 3.711 -2.475 -6.561 1.00 0.00 O ATOM 228 CB GLU A 19 6.265 -0.980 -5.127 1.00 0.00 C ATOM 229 CG GLU A 19 6.239 -0.232 -3.804 1.00 0.00 C ATOM 230 CD GLU A 19 7.618 0.223 -3.364 1.00 0.00 C ATOM 231 OE1 GLU A 19 8.501 -0.643 -3.194 1.00 0.00 O ATOM 232 OE2 GLU A 19 7.812 1.445 -3.190 1.00 0.00 O ATOM 0 H GLU A 19 7.410 -3.031 -4.281 1.00 0.00 H new ATOM 0 HA GLU A 19 4.825 -2.338 -4.293 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.301 -1.107 -5.442 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.772 -0.374 -5.887 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.586 0.636 -3.894 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.810 -0.875 -3.036 1.00 0.00 H new ATOM 239 N ASP A 20 5.711 -3.120 -7.365 1.00 0.00 N ATOM 240 CA ASP A 20 5.195 -3.452 -8.689 1.00 0.00 C ATOM 241 C ASP A 20 4.081 -4.488 -8.593 1.00 0.00 C ATOM 242 O ASP A 20 2.965 -4.258 -9.058 1.00 0.00 O ATOM 243 CB ASP A 20 6.322 -3.976 -9.581 1.00 0.00 C ATOM 244 CG ASP A 20 7.303 -2.889 -9.973 1.00 0.00 C ATOM 245 OD1 ASP A 20 6.851 -1.790 -10.358 1.00 0.00 O ATOM 246 OD2 ASP A 20 8.524 -3.136 -9.893 1.00 0.00 O ATOM 0 H ASP A 20 6.713 -3.274 -7.252 1.00 0.00 H new ATOM 0 HA ASP A 20 4.784 -2.544 -9.131 1.00 0.00 H new ATOM 0 HB2 ASP A 20 6.855 -4.771 -9.059 1.00 0.00 H new ATOM 0 HB3 ASP A 20 5.894 -4.417 -10.481 1.00 0.00 H new ATOM 251 N GLU A 21 4.392 -5.630 -7.990 1.00 0.00 N ATOM 252 CA GLU A 21 3.416 -6.703 -7.835 1.00 0.00 C ATOM 253 C GLU A 21 2.087 -6.160 -7.315 1.00 0.00 C ATOM 254 O GLU A 21 1.063 -6.240 -7.993 1.00 0.00 O ATOM 255 CB GLU A 21 3.949 -7.776 -6.883 1.00 0.00 C ATOM 256 CG GLU A 21 5.230 -8.436 -7.366 1.00 0.00 C ATOM 257 CD GLU A 21 4.995 -9.391 -8.520 1.00 0.00 C ATOM 258 OE1 GLU A 21 4.631 -8.917 -9.617 1.00 0.00 O ATOM 259 OE2 GLU A 21 5.173 -10.612 -8.326 1.00 0.00 O ATOM 0 H GLU A 21 5.312 -5.837 -7.601 1.00 0.00 H new ATOM 0 HA GLU A 21 3.248 -7.149 -8.815 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.128 -7.327 -5.906 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.185 -8.541 -6.747 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.937 -7.666 -7.675 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.689 -8.977 -6.539 1.00 0.00 H new ATOM 266 N LEU A 22 2.114 -5.609 -6.107 1.00 0.00 N ATOM 267 CA LEU A 22 0.913 -5.052 -5.494 1.00 0.00 C ATOM 268 C LEU A 22 0.246 -4.041 -6.421 1.00 0.00 C ATOM 269 O LEU A 22 -0.981 -3.970 -6.497 1.00 0.00 O ATOM 270 CB LEU A 22 1.259 -4.386 -4.160 1.00 0.00 C ATOM 271 CG LEU A 22 1.809 -5.308 -3.072 1.00 0.00 C ATOM 272 CD1 LEU A 22 2.696 -4.531 -2.111 1.00 0.00 C ATOM 273 CD2 LEU A 22 0.671 -5.985 -2.321 1.00 0.00 C ATOM 0 H LEU A 22 2.954 -5.536 -5.533 1.00 0.00 H new ATOM 0 HA LEU A 22 0.214 -5.869 -5.315 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.992 -3.601 -4.348 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.362 -3.899 -3.777 1.00 0.00 H new ATOM 0 HG LEU A 22 2.414 -6.080 -3.549 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.078 -5.204 -1.344 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.531 -4.094 -2.659 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.115 -3.737 -1.641 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.081 -6.638 -1.550 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.040 -5.227 -1.857 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.076 -6.576 -3.018 1.00 0.00 H new ATOM 285 N ARG A 23 1.061 -3.265 -7.127 1.00 0.00 N ATOM 286 CA ARG A 23 0.551 -2.259 -8.050 1.00 0.00 C ATOM 287 C ARG A 23 -0.294 -2.906 -9.145 1.00 0.00 C ATOM 288 O ARG A 23 -1.264 -2.319 -9.622 1.00 0.00 O ATOM 289 CB ARG A 23 1.705 -1.478 -8.678 1.00 0.00 C ATOM 290 CG ARG A 23 1.268 -0.203 -9.381 1.00 0.00 C ATOM 291 CD ARG A 23 2.218 0.948 -9.089 1.00 0.00 C ATOM 292 NE ARG A 23 3.363 0.957 -9.995 1.00 0.00 N ATOM 293 CZ ARG A 23 3.343 1.515 -11.199 1.00 0.00 C ATOM 294 NH1 ARG A 23 2.243 2.110 -11.639 1.00 0.00 N ATOM 295 NH2 ARG A 23 4.426 1.483 -11.965 1.00 0.00 N ATOM 0 H ARG A 23 2.079 -3.314 -7.077 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.078 -1.571 -7.486 1.00 0.00 H new ATOM 0 HB2 ARG A 23 2.426 -1.225 -7.901 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.219 -2.119 -9.394 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.224 -0.376 -10.456 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.261 0.064 -9.060 1.00 0.00 H new ATOM 0 HD2 ARG A 23 1.680 1.892 -9.175 1.00 0.00 H new ATOM 0 HD3 ARG A 23 2.571 0.875 -8.060 1.00 0.00 H new ATOM 0 HE ARG A 23 4.226 0.510 -9.685 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.410 2.140 -11.052 1.00 0.00 H new ATOM 0 HH12 ARG A 23 2.230 2.538 -12.565 1.00 0.00 H new ATOM 0 HH21 ARG A 23 5.275 1.029 -11.629 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.409 1.912 -12.890 1.00 0.00 H new ATOM 309 N GLU A 24 0.083 -4.120 -9.537 1.00 0.00 N ATOM 310 CA GLU A 24 -0.638 -4.845 -10.576 1.00 0.00 C ATOM 311 C GLU A 24 -1.844 -5.574 -9.992 1.00 0.00 C ATOM 312 O GLU A 24 -2.907 -5.636 -10.611 1.00 0.00 O ATOM 313 CB GLU A 24 0.290 -5.844 -11.270 1.00 0.00 C ATOM 314 CG GLU A 24 0.600 -5.485 -12.714 1.00 0.00 C ATOM 315 CD GLU A 24 2.088 -5.477 -13.006 1.00 0.00 C ATOM 316 OE1 GLU A 24 2.654 -6.568 -13.230 1.00 0.00 O ATOM 317 OE2 GLU A 24 2.685 -4.381 -13.011 1.00 0.00 O ATOM 0 H GLU A 24 0.883 -4.621 -9.151 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.993 -4.121 -11.310 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.224 -5.908 -10.712 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -0.167 -6.833 -11.240 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.107 -6.198 -13.376 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.184 -4.503 -12.938 1.00 0.00 H new ATOM 324 N PHE A 25 -1.672 -6.128 -8.796 1.00 0.00 N ATOM 325 CA PHE A 25 -2.744 -6.855 -8.128 1.00 0.00 C ATOM 326 C PHE A 25 -3.919 -5.932 -7.822 1.00 0.00 C ATOM 327 O PHE A 25 -5.079 -6.309 -7.986 1.00 0.00 O ATOM 328 CB PHE A 25 -2.230 -7.491 -6.835 1.00 0.00 C ATOM 329 CG PHE A 25 -3.241 -8.370 -6.155 1.00 0.00 C ATOM 330 CD1 PHE A 25 -4.190 -7.825 -5.304 1.00 0.00 C ATOM 331 CD2 PHE A 25 -3.243 -9.738 -6.367 1.00 0.00 C ATOM 332 CE1 PHE A 25 -5.121 -8.631 -4.676 1.00 0.00 C ATOM 333 CE2 PHE A 25 -4.172 -10.549 -5.742 1.00 0.00 C ATOM 334 CZ PHE A 25 -5.113 -9.994 -4.897 1.00 0.00 C ATOM 0 H PHE A 25 -0.799 -6.087 -8.270 1.00 0.00 H new ATOM 0 HA PHE A 25 -3.088 -7.642 -8.799 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -1.340 -8.080 -7.058 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -1.926 -6.702 -6.147 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.202 -6.759 -5.130 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -2.510 -10.177 -7.028 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -5.854 -8.195 -4.013 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.162 -11.615 -5.914 1.00 0.00 H new ATOM 0 HZ PHE A 25 -5.841 -10.625 -4.410 1.00 0.00 H new ATOM 344 N PHE A 26 -3.610 -4.719 -7.373 1.00 0.00 N ATOM 345 CA PHE A 26 -4.639 -3.741 -7.042 1.00 0.00 C ATOM 346 C PHE A 26 -5.105 -2.997 -8.290 1.00 0.00 C ATOM 347 O PHE A 26 -5.984 -2.138 -8.223 1.00 0.00 O ATOM 348 CB PHE A 26 -4.112 -2.745 -6.007 1.00 0.00 C ATOM 349 CG PHE A 26 -4.156 -3.265 -4.599 1.00 0.00 C ATOM 350 CD1 PHE A 26 -5.365 -3.421 -3.942 1.00 0.00 C ATOM 351 CD2 PHE A 26 -2.987 -3.595 -3.932 1.00 0.00 C ATOM 352 CE1 PHE A 26 -5.409 -3.900 -2.646 1.00 0.00 C ATOM 353 CE2 PHE A 26 -3.025 -4.073 -2.636 1.00 0.00 C ATOM 354 CZ PHE A 26 -4.237 -4.225 -1.992 1.00 0.00 C ATOM 0 H PHE A 26 -2.655 -4.391 -7.230 1.00 0.00 H new ATOM 0 HA PHE A 26 -5.490 -4.276 -6.621 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.084 -2.483 -6.257 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.698 -1.828 -6.066 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.284 -3.165 -4.448 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.036 -3.477 -4.430 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -6.359 -4.020 -2.146 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.107 -4.328 -2.127 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.268 -4.597 -0.979 1.00 0.00 H new ATOM 364 N SER A 27 -4.507 -3.332 -9.430 1.00 0.00 N ATOM 365 CA SER A 27 -4.855 -2.693 -10.693 1.00 0.00 C ATOM 366 C SER A 27 -6.140 -3.286 -11.265 1.00 0.00 C ATOM 367 O SER A 27 -6.798 -2.672 -12.105 1.00 0.00 O ATOM 368 CB SER A 27 -3.715 -2.850 -11.700 1.00 0.00 C ATOM 369 OG SER A 27 -3.811 -4.084 -12.391 1.00 0.00 O ATOM 0 H SER A 27 -3.779 -4.043 -9.504 1.00 0.00 H new ATOM 0 HA SER A 27 -5.018 -1.632 -10.503 1.00 0.00 H new ATOM 0 HB2 SER A 27 -3.740 -2.027 -12.414 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.758 -2.793 -11.182 1.00 0.00 H new ATOM 0 HG SER A 27 -3.215 -4.740 -11.973 1.00 0.00 H new ATOM 375 N GLN A 28 -6.488 -4.482 -10.803 1.00 0.00 N ATOM 376 CA GLN A 28 -7.693 -5.159 -11.270 1.00 0.00 C ATOM 377 C GLN A 28 -8.925 -4.650 -10.529 1.00 0.00 C ATOM 378 O GLN A 28 -10.057 -4.887 -10.949 1.00 0.00 O ATOM 379 CB GLN A 28 -7.559 -6.671 -11.082 1.00 0.00 C ATOM 380 CG GLN A 28 -7.592 -7.109 -9.626 1.00 0.00 C ATOM 381 CD GLN A 28 -6.704 -8.308 -9.357 1.00 0.00 C ATOM 382 OE1 GLN A 28 -5.817 -8.627 -10.149 1.00 0.00 O ATOM 383 NE2 GLN A 28 -6.938 -8.977 -8.234 1.00 0.00 N ATOM 0 H GLN A 28 -5.954 -5.002 -10.107 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.814 -4.941 -12.331 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -8.365 -7.169 -11.621 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -6.623 -7.003 -11.531 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -7.277 -6.279 -8.994 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -8.617 -7.351 -9.347 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -7.684 -8.676 -7.607 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.371 -9.792 -7.998 1.00 0.00 H new ATOM 392 N TYR A 29 -8.697 -3.947 -9.424 1.00 0.00 N ATOM 393 CA TYR A 29 -9.788 -3.407 -8.623 1.00 0.00 C ATOM 394 C TYR A 29 -10.180 -2.014 -9.106 1.00 0.00 C ATOM 395 O TYR A 29 -11.346 -1.628 -9.045 1.00 0.00 O ATOM 396 CB TYR A 29 -9.388 -3.355 -7.147 1.00 0.00 C ATOM 397 CG TYR A 29 -9.217 -4.718 -6.518 1.00 0.00 C ATOM 398 CD1 TYR A 29 -8.056 -5.456 -6.714 1.00 0.00 C ATOM 399 CD2 TYR A 29 -10.218 -5.270 -5.727 1.00 0.00 C ATOM 400 CE1 TYR A 29 -7.896 -6.703 -6.141 1.00 0.00 C ATOM 401 CE2 TYR A 29 -10.065 -6.516 -5.149 1.00 0.00 C ATOM 402 CZ TYR A 29 -8.902 -7.228 -5.359 1.00 0.00 C ATOM 403 OH TYR A 29 -8.749 -8.469 -4.786 1.00 0.00 O ATOM 0 H TYR A 29 -7.766 -3.738 -9.063 1.00 0.00 H new ATOM 0 HA TYR A 29 -10.649 -4.066 -8.735 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -8.454 -2.800 -7.052 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -10.146 -2.801 -6.593 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.265 -5.048 -7.325 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -11.130 -4.716 -5.561 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -6.987 -7.263 -6.305 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -10.852 -6.930 -4.536 1.00 0.00 H new ATOM 0 HH TYR A 29 -7.795 -8.668 -4.686 1.00 0.00 H new ATOM 413 N GLY A 30 -9.193 -1.261 -9.586 1.00 0.00 N ATOM 414 CA GLY A 30 -9.453 0.080 -10.073 1.00 0.00 C ATOM 415 C GLY A 30 -8.258 0.679 -10.788 1.00 0.00 C ATOM 416 O GLY A 30 -7.703 0.069 -11.702 1.00 0.00 O ATOM 0 H GLY A 30 -8.219 -1.557 -9.646 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.305 0.058 -10.752 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -9.730 0.720 -9.235 1.00 0.00 H new ATOM 420 N ASP A 31 -7.862 1.877 -10.373 1.00 0.00 N ATOM 421 CA ASP A 31 -6.726 2.560 -10.980 1.00 0.00 C ATOM 422 C ASP A 31 -5.744 3.036 -9.914 1.00 0.00 C ATOM 423 O ASP A 31 -5.725 4.213 -9.553 1.00 0.00 O ATOM 424 CB ASP A 31 -7.204 3.747 -11.817 1.00 0.00 C ATOM 425 CG ASP A 31 -7.229 3.437 -13.301 1.00 0.00 C ATOM 426 OD1 ASP A 31 -6.199 2.963 -13.826 1.00 0.00 O ATOM 427 OD2 ASP A 31 -8.278 3.666 -13.937 1.00 0.00 O ATOM 0 H ASP A 31 -8.311 2.395 -9.618 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.213 1.851 -11.630 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.203 4.037 -11.493 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -6.550 4.601 -11.638 1.00 0.00 H new ATOM 432 N VAL A 32 -4.930 2.113 -9.411 1.00 0.00 N ATOM 433 CA VAL A 32 -3.946 2.439 -8.386 1.00 0.00 C ATOM 434 C VAL A 32 -2.915 3.432 -8.909 1.00 0.00 C ATOM 435 O VAL A 32 -1.990 3.061 -9.630 1.00 0.00 O ATOM 436 CB VAL A 32 -3.217 1.176 -7.886 1.00 0.00 C ATOM 437 CG1 VAL A 32 -2.779 0.313 -9.060 1.00 0.00 C ATOM 438 CG2 VAL A 32 -2.027 1.557 -7.020 1.00 0.00 C ATOM 0 H VAL A 32 -4.933 1.134 -9.697 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.491 2.889 -7.556 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.909 0.594 -7.277 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.266 -0.574 -8.688 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.654 0.012 -9.636 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.103 0.882 -9.698 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.524 0.654 -6.675 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.331 2.160 -7.603 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.372 2.131 -6.160 1.00 0.00 H new ATOM 448 N MET A 33 -3.083 4.698 -8.540 1.00 0.00 N ATOM 449 CA MET A 33 -2.165 5.747 -8.970 1.00 0.00 C ATOM 450 C MET A 33 -0.716 5.286 -8.847 1.00 0.00 C ATOM 451 O MET A 33 0.024 5.265 -9.830 1.00 0.00 O ATOM 452 CB MET A 33 -2.382 7.015 -8.143 1.00 0.00 C ATOM 453 CG MET A 33 -3.129 8.108 -8.890 1.00 0.00 C ATOM 454 SD MET A 33 -2.984 9.719 -8.091 1.00 0.00 S ATOM 455 CE MET A 33 -2.716 10.778 -9.510 1.00 0.00 C ATOM 0 H MET A 33 -3.845 5.022 -7.945 1.00 0.00 H new ATOM 0 HA MET A 33 -2.369 5.967 -10.018 1.00 0.00 H new ATOM 0 HB2 MET A 33 -2.936 6.759 -7.240 1.00 0.00 H new ATOM 0 HB3 MET A 33 -1.414 7.401 -7.824 1.00 0.00 H new ATOM 0 HG2 MET A 33 -2.744 8.175 -9.908 1.00 0.00 H new ATOM 0 HG3 MET A 33 -4.182 7.837 -8.965 1.00 0.00 H new ATOM 0 HE1 MET A 33 -2.607 11.810 -9.178 1.00 0.00 H new ATOM 0 HE2 MET A 33 -1.810 10.467 -10.030 1.00 0.00 H new ATOM 0 HE3 MET A 33 -3.567 10.702 -10.186 1.00 0.00 H new ATOM 465 N ASP A 34 -0.319 4.919 -7.634 1.00 0.00 N ATOM 466 CA ASP A 34 1.042 4.457 -7.383 1.00 0.00 C ATOM 467 C ASP A 34 1.122 3.694 -6.065 1.00 0.00 C ATOM 468 O ASP A 34 0.135 3.587 -5.336 1.00 0.00 O ATOM 469 CB ASP A 34 2.009 5.642 -7.360 1.00 0.00 C ATOM 470 CG ASP A 34 3.181 5.451 -8.302 1.00 0.00 C ATOM 471 OD1 ASP A 34 3.593 4.290 -8.509 1.00 0.00 O ATOM 472 OD2 ASP A 34 3.686 6.462 -8.833 1.00 0.00 O ATOM 0 H ASP A 34 -0.919 4.932 -6.809 1.00 0.00 H new ATOM 0 HA ASP A 34 1.325 3.782 -8.191 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.472 6.551 -7.632 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.381 5.784 -6.345 1.00 0.00 H new ATOM 477 N VAL A 35 2.304 3.165 -5.764 1.00 0.00 N ATOM 478 CA VAL A 35 2.513 2.411 -4.533 1.00 0.00 C ATOM 479 C VAL A 35 3.868 2.734 -3.915 1.00 0.00 C ATOM 480 O VAL A 35 4.877 2.823 -4.616 1.00 0.00 O ATOM 481 CB VAL A 35 2.422 0.893 -4.782 1.00 0.00 C ATOM 482 CG1 VAL A 35 2.675 0.125 -3.494 1.00 0.00 C ATOM 483 CG2 VAL A 35 1.068 0.531 -5.372 1.00 0.00 C ATOM 0 H VAL A 35 3.131 3.245 -6.355 1.00 0.00 H new ATOM 0 HA VAL A 35 1.723 2.706 -3.843 1.00 0.00 H new ATOM 0 HB VAL A 35 3.192 0.613 -5.501 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.607 -0.945 -3.689 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.670 0.363 -3.118 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.930 0.406 -2.750 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.021 -0.545 -5.542 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.279 0.824 -4.679 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.932 1.054 -6.319 1.00 0.00 H new ATOM 493 N PHE A 36 3.887 2.906 -2.598 1.00 0.00 N ATOM 494 CA PHE A 36 5.118 3.219 -1.884 1.00 0.00 C ATOM 495 C PHE A 36 5.255 2.360 -0.632 1.00 0.00 C ATOM 496 O PHE A 36 4.265 1.858 -0.099 1.00 0.00 O ATOM 497 CB PHE A 36 5.152 4.702 -1.505 1.00 0.00 C ATOM 498 CG PHE A 36 6.241 5.047 -0.532 1.00 0.00 C ATOM 499 CD1 PHE A 36 7.571 5.009 -0.919 1.00 0.00 C ATOM 500 CD2 PHE A 36 5.935 5.412 0.769 1.00 0.00 C ATOM 501 CE1 PHE A 36 8.576 5.326 -0.024 1.00 0.00 C ATOM 502 CE2 PHE A 36 6.937 5.730 1.668 1.00 0.00 C ATOM 503 CZ PHE A 36 8.259 5.688 1.271 1.00 0.00 C ATOM 0 H PHE A 36 3.062 2.834 -2.003 1.00 0.00 H new ATOM 0 HA PHE A 36 5.956 3.001 -2.546 1.00 0.00 H new ATOM 0 HB2 PHE A 36 5.282 5.297 -2.409 1.00 0.00 H new ATOM 0 HB3 PHE A 36 4.190 4.981 -1.075 1.00 0.00 H new ATOM 0 HD1 PHE A 36 7.825 4.729 -1.931 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.903 5.449 1.085 1.00 0.00 H new ATOM 0 HE1 PHE A 36 9.609 5.291 -0.337 1.00 0.00 H new ATOM 0 HE2 PHE A 36 6.686 6.011 2.680 1.00 0.00 H new ATOM 0 HZ PHE A 36 9.043 5.937 1.971 1.00 0.00 H new ATOM 513 N ILE A 37 6.489 2.193 -0.167 1.00 0.00 N ATOM 514 CA ILE A 37 6.756 1.394 1.023 1.00 0.00 C ATOM 515 C ILE A 37 7.512 2.205 2.071 1.00 0.00 C ATOM 516 O ILE A 37 8.736 2.327 2.033 1.00 0.00 O ATOM 517 CB ILE A 37 7.568 0.131 0.683 1.00 0.00 C ATOM 518 CG1 ILE A 37 6.792 -0.754 -0.293 1.00 0.00 C ATOM 519 CG2 ILE A 37 7.906 -0.638 1.951 1.00 0.00 C ATOM 520 CD1 ILE A 37 7.526 -2.020 -0.677 1.00 0.00 C ATOM 0 H ILE A 37 7.320 2.600 -0.596 1.00 0.00 H new ATOM 0 HA ILE A 37 5.788 1.095 1.426 1.00 0.00 H new ATOM 0 HB ILE A 37 8.500 0.434 0.206 1.00 0.00 H new ATOM 0 HG12 ILE A 37 5.834 -1.021 0.154 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.575 -0.182 -1.195 1.00 0.00 H new ATOM 0 HG21 ILE A 37 8.480 -1.528 1.694 1.00 0.00 H new ATOM 0 HG22 ILE A 37 8.495 -0.005 2.614 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.985 -0.933 2.454 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.916 -2.598 -1.371 1.00 0.00 H new ATOM 0 HD12 ILE A 37 8.472 -1.762 -1.153 1.00 0.00 H new ATOM 0 HD13 ILE A 37 7.720 -2.613 0.217 1.00 0.00 H new ATOM 532 N PRO A 38 6.766 2.771 3.031 1.00 0.00 N ATOM 533 CA PRO A 38 7.344 3.578 4.110 1.00 0.00 C ATOM 534 C PRO A 38 8.150 2.737 5.094 1.00 0.00 C ATOM 535 O PRO A 38 7.726 1.652 5.492 1.00 0.00 O ATOM 536 CB PRO A 38 6.117 4.181 4.799 1.00 0.00 C ATOM 537 CG PRO A 38 5.011 3.228 4.504 1.00 0.00 C ATOM 538 CD PRO A 38 5.301 2.667 3.138 1.00 0.00 C ATOM 0 HA PRO A 38 8.045 4.322 3.732 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.276 4.283 5.873 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.896 5.176 4.413 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.969 2.435 5.251 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.045 3.733 4.521 1.00 0.00 H new ATOM 0 HD2 PRO A 38 4.964 1.634 3.048 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.799 3.236 2.355 1.00 0.00 H new ATOM 546 N LYS A 39 9.314 3.245 5.485 1.00 0.00 N ATOM 547 CA LYS A 39 10.178 2.543 6.425 1.00 0.00 C ATOM 548 C LYS A 39 10.108 3.179 7.810 1.00 0.00 C ATOM 549 O LYS A 39 9.833 4.369 7.960 1.00 0.00 O ATOM 550 CB LYS A 39 11.624 2.549 5.923 1.00 0.00 C ATOM 551 CG LYS A 39 11.818 1.793 4.620 1.00 0.00 C ATOM 552 CD LYS A 39 12.328 0.382 4.865 1.00 0.00 C ATOM 553 CE LYS A 39 12.238 -0.469 3.609 1.00 0.00 C ATOM 554 NZ LYS A 39 13.532 -0.513 2.874 1.00 0.00 N ATOM 0 H LYS A 39 9.680 4.141 5.165 1.00 0.00 H new ATOM 0 HA LYS A 39 9.829 1.513 6.500 1.00 0.00 H new ATOM 0 HB2 LYS A 39 11.948 3.581 5.787 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.267 2.111 6.687 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.873 1.750 4.079 1.00 0.00 H new ATOM 0 HG3 LYS A 39 12.524 2.331 3.987 1.00 0.00 H new ATOM 0 HD2 LYS A 39 13.363 0.422 5.205 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.748 -0.082 5.663 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.939 -1.482 3.878 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.462 -0.070 2.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.429 -1.103 2.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.806 0.451 2.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 14.267 -0.917 3.489 1.00 0.00 H new ATOM 568 N PRO A 40 10.363 2.369 8.848 1.00 0.00 N ATOM 569 CA PRO A 40 10.690 0.949 8.683 1.00 0.00 C ATOM 570 C PRO A 40 9.495 0.129 8.210 1.00 0.00 C ATOM 571 O PRO A 40 8.370 0.334 8.666 1.00 0.00 O ATOM 572 CB PRO A 40 11.113 0.517 10.089 1.00 0.00 C ATOM 573 CG PRO A 40 10.420 1.468 11.003 1.00 0.00 C ATOM 574 CD PRO A 40 10.350 2.775 10.263 1.00 0.00 C ATOM 0 HA PRO A 40 11.458 0.793 7.925 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.819 -0.513 10.292 1.00 0.00 H new ATOM 0 HB3 PRO A 40 12.195 0.569 10.210 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.423 1.109 11.257 1.00 0.00 H new ATOM 0 HG3 PRO A 40 10.967 1.578 11.939 1.00 0.00 H new ATOM 0 HD2 PRO A 40 9.446 3.330 10.513 1.00 0.00 H new ATOM 0 HD3 PRO A 40 11.196 3.419 10.504 1.00 0.00 H new ATOM 582 N PHE A 41 9.746 -0.801 7.295 1.00 0.00 N ATOM 583 CA PHE A 41 8.689 -1.651 6.760 1.00 0.00 C ATOM 584 C PHE A 41 8.280 -2.714 7.776 1.00 0.00 C ATOM 585 O PHE A 41 9.111 -3.495 8.241 1.00 0.00 O ATOM 586 CB PHE A 41 9.151 -2.320 5.463 1.00 0.00 C ATOM 587 CG PHE A 41 8.254 -3.439 5.013 1.00 0.00 C ATOM 588 CD1 PHE A 41 7.094 -3.170 4.303 1.00 0.00 C ATOM 589 CD2 PHE A 41 8.571 -4.756 5.299 1.00 0.00 C ATOM 590 CE1 PHE A 41 6.268 -4.197 3.889 1.00 0.00 C ATOM 591 CE2 PHE A 41 7.748 -5.787 4.887 1.00 0.00 C ATOM 592 CZ PHE A 41 6.595 -5.507 4.179 1.00 0.00 C ATOM 0 H PHE A 41 10.672 -0.985 6.909 1.00 0.00 H new ATOM 0 HA PHE A 41 7.824 -1.023 6.549 1.00 0.00 H new ATOM 0 HB2 PHE A 41 9.205 -1.569 4.675 1.00 0.00 H new ATOM 0 HB3 PHE A 41 10.160 -2.708 5.603 1.00 0.00 H new ATOM 0 HD1 PHE A 41 6.834 -2.148 4.071 1.00 0.00 H new ATOM 0 HD2 PHE A 41 9.472 -4.980 5.851 1.00 0.00 H new ATOM 0 HE1 PHE A 41 5.366 -3.975 3.338 1.00 0.00 H new ATOM 0 HE2 PHE A 41 8.006 -6.810 5.118 1.00 0.00 H new ATOM 0 HZ PHE A 41 5.951 -6.311 3.853 1.00 0.00 H new ATOM 602 N ARG A 42 6.996 -2.736 8.115 1.00 0.00 N ATOM 603 CA ARG A 42 6.477 -3.700 9.078 1.00 0.00 C ATOM 604 C ARG A 42 5.336 -4.513 8.471 1.00 0.00 C ATOM 605 O ARG A 42 4.163 -4.205 8.677 1.00 0.00 O ATOM 606 CB ARG A 42 5.991 -2.984 10.340 1.00 0.00 C ATOM 607 CG ARG A 42 7.052 -2.869 11.421 1.00 0.00 C ATOM 608 CD ARG A 42 6.566 -2.031 12.592 1.00 0.00 C ATOM 609 NE ARG A 42 5.832 -2.830 13.571 1.00 0.00 N ATOM 610 CZ ARG A 42 5.636 -2.453 14.829 1.00 0.00 C ATOM 611 NH1 ARG A 42 6.118 -1.296 15.261 1.00 0.00 N ATOM 612 NH2 ARG A 42 4.959 -3.235 15.659 1.00 0.00 N ATOM 0 H ARG A 42 6.296 -2.098 7.738 1.00 0.00 H new ATOM 0 HA ARG A 42 7.286 -4.381 9.344 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.648 -1.985 10.071 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.131 -3.519 10.742 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.324 -3.864 11.773 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.953 -2.422 11.002 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.419 -1.557 13.077 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.924 -1.231 12.223 1.00 0.00 H new ATOM 0 HE ARG A 42 5.449 -3.727 13.271 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.641 -0.693 14.626 1.00 0.00 H new ATOM 0 HH12 ARG A 42 5.966 -1.009 16.228 1.00 0.00 H new ATOM 0 HH21 ARG A 42 4.588 -4.127 15.331 1.00 0.00 H new ATOM 0 HH22 ARG A 42 4.809 -2.945 16.625 1.00 0.00 H new ATOM 626 N ALA A 43 5.691 -5.552 7.722 1.00 0.00 N ATOM 627 CA ALA A 43 4.698 -6.410 7.087 1.00 0.00 C ATOM 628 C ALA A 43 3.501 -5.599 6.602 1.00 0.00 C ATOM 629 O ALA A 43 2.357 -6.042 6.701 1.00 0.00 O ATOM 630 CB ALA A 43 4.245 -7.497 8.051 1.00 0.00 C ATOM 0 H ALA A 43 6.658 -5.820 7.540 1.00 0.00 H new ATOM 0 HA ALA A 43 5.162 -6.879 6.219 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.504 -8.130 7.563 1.00 0.00 H new ATOM 0 HB2 ALA A 43 5.102 -8.103 8.345 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.804 -7.038 8.936 1.00 0.00 H new ATOM 636 N PHE A 44 3.773 -4.408 6.078 1.00 0.00 N ATOM 637 CA PHE A 44 2.718 -3.534 5.578 1.00 0.00 C ATOM 638 C PHE A 44 3.261 -2.573 4.525 1.00 0.00 C ATOM 639 O PHE A 44 4.446 -2.240 4.526 1.00 0.00 O ATOM 640 CB PHE A 44 2.092 -2.745 6.731 1.00 0.00 C ATOM 641 CG PHE A 44 2.735 -1.408 6.960 1.00 0.00 C ATOM 642 CD1 PHE A 44 2.498 -0.353 6.093 1.00 0.00 C ATOM 643 CD2 PHE A 44 3.576 -1.204 8.043 1.00 0.00 C ATOM 644 CE1 PHE A 44 3.089 0.879 6.301 1.00 0.00 C ATOM 645 CE2 PHE A 44 4.169 0.026 8.256 1.00 0.00 C ATOM 646 CZ PHE A 44 3.924 1.069 7.385 1.00 0.00 C ATOM 0 H PHE A 44 4.715 -4.026 5.989 1.00 0.00 H new ATOM 0 HA PHE A 44 1.953 -4.157 5.115 1.00 0.00 H new ATOM 0 HB2 PHE A 44 1.031 -2.599 6.527 1.00 0.00 H new ATOM 0 HB3 PHE A 44 2.163 -3.335 7.645 1.00 0.00 H new ATOM 0 HD1 PHE A 44 1.844 -0.495 5.245 1.00 0.00 H new ATOM 0 HD2 PHE A 44 3.770 -2.016 8.728 1.00 0.00 H new ATOM 0 HE1 PHE A 44 2.898 1.692 5.617 1.00 0.00 H new ATOM 0 HE2 PHE A 44 4.823 0.171 9.103 1.00 0.00 H new ATOM 0 HZ PHE A 44 4.384 2.032 7.551 1.00 0.00 H new ATOM 656 N ALA A 45 2.386 -2.131 3.629 1.00 0.00 N ATOM 657 CA ALA A 45 2.776 -1.207 2.570 1.00 0.00 C ATOM 658 C ALA A 45 1.667 -0.201 2.284 1.00 0.00 C ATOM 659 O ALA A 45 0.491 -0.472 2.527 1.00 0.00 O ATOM 660 CB ALA A 45 3.135 -1.975 1.307 1.00 0.00 C ATOM 0 H ALA A 45 1.402 -2.397 3.615 1.00 0.00 H new ATOM 0 HA ALA A 45 3.653 -0.654 2.907 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.424 -1.274 0.524 1.00 0.00 H new ATOM 0 HB2 ALA A 45 3.966 -2.649 1.515 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.273 -2.553 0.975 1.00 0.00 H new ATOM 666 N PHE A 46 2.048 0.962 1.764 1.00 0.00 N ATOM 667 CA PHE A 46 1.086 2.009 1.447 1.00 0.00 C ATOM 668 C PHE A 46 0.708 1.970 -0.031 1.00 0.00 C ATOM 669 O PHE A 46 1.555 1.738 -0.895 1.00 0.00 O ATOM 670 CB PHE A 46 1.660 3.383 1.802 1.00 0.00 C ATOM 671 CG PHE A 46 0.683 4.508 1.608 1.00 0.00 C ATOM 672 CD1 PHE A 46 -0.325 4.734 2.531 1.00 0.00 C ATOM 673 CD2 PHE A 46 0.775 5.341 0.505 1.00 0.00 C ATOM 674 CE1 PHE A 46 -1.225 5.768 2.357 1.00 0.00 C ATOM 675 CE2 PHE A 46 -0.122 6.377 0.326 1.00 0.00 C ATOM 676 CZ PHE A 46 -1.124 6.590 1.252 1.00 0.00 C ATOM 0 H PHE A 46 3.017 1.202 1.554 1.00 0.00 H new ATOM 0 HA PHE A 46 0.188 1.834 2.039 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.989 3.373 2.841 1.00 0.00 H new ATOM 0 HB3 PHE A 46 2.542 3.569 1.190 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -0.408 4.094 3.397 1.00 0.00 H new ATOM 0 HD2 PHE A 46 1.556 5.179 -0.223 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -2.006 5.933 3.084 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.039 7.020 -0.538 1.00 0.00 H new ATOM 0 HZ PHE A 46 -1.827 7.398 1.112 1.00 0.00 H new ATOM 686 N VAL A 47 -0.571 2.198 -0.315 1.00 0.00 N ATOM 687 CA VAL A 47 -1.062 2.189 -1.688 1.00 0.00 C ATOM 688 C VAL A 47 -2.047 3.329 -1.926 1.00 0.00 C ATOM 689 O VAL A 47 -2.981 3.530 -1.151 1.00 0.00 O ATOM 690 CB VAL A 47 -1.749 0.853 -2.030 1.00 0.00 C ATOM 691 CG1 VAL A 47 -2.279 0.874 -3.455 1.00 0.00 C ATOM 692 CG2 VAL A 47 -0.786 -0.307 -1.826 1.00 0.00 C ATOM 0 H VAL A 47 -1.285 2.391 0.387 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.195 2.319 -2.335 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.595 0.716 -1.357 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.761 -0.078 -3.678 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.004 1.681 -3.562 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.453 1.034 -4.148 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.287 -1.243 -2.072 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.081 -0.178 -2.474 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.461 -0.332 -0.786 1.00 0.00 H new ATOM 702 N THR A 48 -1.831 4.074 -3.006 1.00 0.00 N ATOM 703 CA THR A 48 -2.696 5.194 -3.348 1.00 0.00 C ATOM 704 C THR A 48 -3.582 4.861 -4.543 1.00 0.00 C ATOM 705 O THR A 48 -3.138 4.222 -5.498 1.00 0.00 O ATOM 706 CB THR A 48 -1.879 6.460 -3.666 1.00 0.00 C ATOM 707 OG1 THR A 48 -1.028 6.784 -2.561 1.00 0.00 O ATOM 708 CG2 THR A 48 -2.797 7.635 -3.968 1.00 0.00 C ATOM 0 H THR A 48 -1.063 3.920 -3.659 1.00 0.00 H new ATOM 0 HA THR A 48 -3.323 5.385 -2.477 1.00 0.00 H new ATOM 0 HB THR A 48 -1.269 6.261 -4.547 1.00 0.00 H new ATOM 0 HG1 THR A 48 -1.263 6.224 -1.792 1.00 0.00 H new ATOM 0 HG21 THR A 48 -2.197 8.518 -4.190 1.00 0.00 H new ATOM 0 HG22 THR A 48 -3.423 7.396 -4.828 1.00 0.00 H new ATOM 0 HG23 THR A 48 -3.430 7.834 -3.103 1.00 0.00 H new ATOM 716 N PHE A 49 -4.836 5.297 -4.485 1.00 0.00 N ATOM 717 CA PHE A 49 -5.784 5.043 -5.564 1.00 0.00 C ATOM 718 C PHE A 49 -6.245 6.352 -6.201 1.00 0.00 C ATOM 719 O PHE A 49 -6.449 7.350 -5.513 1.00 0.00 O ATOM 720 CB PHE A 49 -6.992 4.266 -5.038 1.00 0.00 C ATOM 721 CG PHE A 49 -6.764 2.783 -4.964 1.00 0.00 C ATOM 722 CD1 PHE A 49 -6.814 2.003 -6.108 1.00 0.00 C ATOM 723 CD2 PHE A 49 -6.500 2.169 -3.750 1.00 0.00 C ATOM 724 CE1 PHE A 49 -6.605 0.638 -6.043 1.00 0.00 C ATOM 725 CE2 PHE A 49 -6.290 0.805 -3.679 1.00 0.00 C ATOM 726 CZ PHE A 49 -6.342 0.039 -4.826 1.00 0.00 C ATOM 0 H PHE A 49 -5.219 5.828 -3.703 1.00 0.00 H new ATOM 0 HA PHE A 49 -5.280 4.446 -6.324 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -7.248 4.636 -4.045 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -7.849 4.462 -5.682 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -7.019 2.467 -7.062 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -6.458 2.763 -2.849 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -6.647 0.041 -6.942 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -6.085 0.339 -2.727 1.00 0.00 H new ATOM 0 HZ PHE A 49 -6.177 -1.027 -4.772 1.00 0.00 H new ATOM 736 N ALA A 50 -6.406 6.336 -7.520 1.00 0.00 N ATOM 737 CA ALA A 50 -6.844 7.519 -8.250 1.00 0.00 C ATOM 738 C ALA A 50 -8.285 7.876 -7.902 1.00 0.00 C ATOM 739 O ALA A 50 -8.763 8.959 -8.239 1.00 0.00 O ATOM 740 CB ALA A 50 -6.701 7.297 -9.748 1.00 0.00 C ATOM 0 H ALA A 50 -6.240 5.517 -8.105 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.209 8.354 -7.955 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.032 8.188 -10.281 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -5.657 7.097 -9.988 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.312 6.446 -10.050 1.00 0.00 H new ATOM 746 N ASP A 51 -8.969 6.961 -7.226 1.00 0.00 N ATOM 747 CA ASP A 51 -10.357 7.181 -6.831 1.00 0.00 C ATOM 748 C ASP A 51 -10.582 6.763 -5.382 1.00 0.00 C ATOM 749 O ASP A 51 -10.520 5.579 -5.049 1.00 0.00 O ATOM 750 CB ASP A 51 -11.300 6.405 -7.752 1.00 0.00 C ATOM 751 CG ASP A 51 -11.858 7.265 -8.868 1.00 0.00 C ATOM 752 OD1 ASP A 51 -11.055 7.808 -9.656 1.00 0.00 O ATOM 753 OD2 ASP A 51 -13.098 7.398 -8.952 1.00 0.00 O ATOM 0 H ASP A 51 -8.587 6.060 -6.940 1.00 0.00 H new ATOM 0 HA ASP A 51 -10.570 8.246 -6.920 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -10.766 5.558 -8.183 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -12.123 5.998 -7.165 1.00 0.00 H new ATOM 758 N ASP A 52 -10.841 7.743 -4.523 1.00 0.00 N ATOM 759 CA ASP A 52 -11.076 7.477 -3.108 1.00 0.00 C ATOM 760 C ASP A 52 -12.212 6.477 -2.925 1.00 0.00 C ATOM 761 O ASP A 52 -12.354 5.873 -1.861 1.00 0.00 O ATOM 762 CB ASP A 52 -11.399 8.777 -2.370 1.00 0.00 C ATOM 763 CG ASP A 52 -12.773 9.314 -2.718 1.00 0.00 C ATOM 764 OD1 ASP A 52 -13.146 9.262 -3.909 1.00 0.00 O ATOM 765 OD2 ASP A 52 -13.475 9.788 -1.800 1.00 0.00 O ATOM 0 H ASP A 52 -10.894 8.728 -4.781 1.00 0.00 H new ATOM 0 HA ASP A 52 -10.167 7.047 -2.688 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -11.341 8.605 -1.295 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -10.646 9.527 -2.614 1.00 0.00 H new ATOM 770 N GLN A 53 -13.019 6.307 -3.967 1.00 0.00 N ATOM 771 CA GLN A 53 -14.145 5.381 -3.918 1.00 0.00 C ATOM 772 C GLN A 53 -13.668 3.938 -4.047 1.00 0.00 C ATOM 773 O GLN A 53 -14.340 3.010 -3.596 1.00 0.00 O ATOM 774 CB GLN A 53 -15.144 5.702 -5.031 1.00 0.00 C ATOM 775 CG GLN A 53 -15.845 7.038 -4.853 1.00 0.00 C ATOM 776 CD GLN A 53 -17.176 6.908 -4.139 1.00 0.00 C ATOM 777 OE1 GLN A 53 -17.698 5.805 -3.970 1.00 0.00 O ATOM 778 NE2 GLN A 53 -17.735 8.036 -3.716 1.00 0.00 N ATOM 0 H GLN A 53 -12.915 6.798 -4.855 1.00 0.00 H new ATOM 0 HA GLN A 53 -14.638 5.497 -2.953 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -14.622 5.700 -5.988 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -15.893 4.911 -5.075 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -15.199 7.711 -4.289 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -16.004 7.494 -5.830 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -17.268 8.928 -3.877 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -18.631 8.010 -3.230 1.00 0.00 H new ATOM 787 N ILE A 54 -12.506 3.757 -4.664 1.00 0.00 N ATOM 788 CA ILE A 54 -11.940 2.427 -4.851 1.00 0.00 C ATOM 789 C ILE A 54 -11.286 1.922 -3.568 1.00 0.00 C ATOM 790 O ILE A 54 -11.559 0.810 -3.118 1.00 0.00 O ATOM 791 CB ILE A 54 -10.897 2.413 -5.985 1.00 0.00 C ATOM 792 CG1 ILE A 54 -11.479 3.046 -7.250 1.00 0.00 C ATOM 793 CG2 ILE A 54 -10.436 0.990 -6.263 1.00 0.00 C ATOM 794 CD1 ILE A 54 -12.521 2.187 -7.932 1.00 0.00 C ATOM 0 H ILE A 54 -11.938 4.515 -5.043 1.00 0.00 H new ATOM 0 HA ILE A 54 -12.766 1.768 -5.119 1.00 0.00 H new ATOM 0 HB ILE A 54 -10.033 3.000 -5.672 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -11.924 4.007 -6.994 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -10.669 3.246 -7.952 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -9.699 0.997 -7.066 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -9.987 0.571 -5.363 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -11.291 0.382 -6.559 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -12.889 2.699 -8.821 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -12.076 1.235 -8.220 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -13.350 2.008 -7.247 1.00 0.00 H new ATOM 806 N ALA A 55 -10.426 2.749 -2.985 1.00 0.00 N ATOM 807 CA ALA A 55 -9.737 2.389 -1.752 1.00 0.00 C ATOM 808 C ALA A 55 -10.727 2.172 -0.613 1.00 0.00 C ATOM 809 O ALA A 55 -10.539 1.290 0.225 1.00 0.00 O ATOM 810 CB ALA A 55 -8.727 3.464 -1.378 1.00 0.00 C ATOM 0 H ALA A 55 -10.189 3.673 -3.346 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.207 1.452 -1.922 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.220 3.182 -0.455 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -7.994 3.568 -2.178 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.243 4.413 -1.233 1.00 0.00 H new ATOM 816 N GLN A 56 -11.780 2.983 -0.588 1.00 0.00 N ATOM 817 CA GLN A 56 -12.799 2.878 0.450 1.00 0.00 C ATOM 818 C GLN A 56 -13.506 1.529 0.386 1.00 0.00 C ATOM 819 O GLN A 56 -13.402 0.719 1.306 1.00 0.00 O ATOM 820 CB GLN A 56 -13.819 4.009 0.307 1.00 0.00 C ATOM 821 CG GLN A 56 -13.748 5.037 1.425 1.00 0.00 C ATOM 822 CD GLN A 56 -14.921 4.943 2.382 1.00 0.00 C ATOM 823 OE1 GLN A 56 -15.865 5.728 2.304 1.00 0.00 O ATOM 824 NE2 GLN A 56 -14.866 3.976 3.290 1.00 0.00 N ATOM 0 H GLN A 56 -11.950 3.719 -1.274 1.00 0.00 H new ATOM 0 HA GLN A 56 -12.305 2.962 1.418 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -13.661 4.511 -0.648 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -14.821 3.582 0.280 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -12.820 4.901 1.980 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -13.717 6.037 0.992 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -14.063 3.348 3.318 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -15.627 3.861 3.960 1.00 0.00 H new ATOM 833 N SER A 57 -14.225 1.294 -0.707 1.00 0.00 N ATOM 834 CA SER A 57 -14.953 0.044 -0.890 1.00 0.00 C ATOM 835 C SER A 57 -14.056 -1.154 -0.597 1.00 0.00 C ATOM 836 O SER A 57 -14.518 -2.186 -0.109 1.00 0.00 O ATOM 837 CB SER A 57 -15.499 -0.049 -2.315 1.00 0.00 C ATOM 838 OG SER A 57 -16.911 0.064 -2.330 1.00 0.00 O ATOM 0 H SER A 57 -14.319 1.953 -1.480 1.00 0.00 H new ATOM 0 HA SER A 57 -15.787 0.032 -0.188 1.00 0.00 H new ATOM 0 HB2 SER A 57 -15.062 0.740 -2.927 1.00 0.00 H new ATOM 0 HB3 SER A 57 -15.203 -0.999 -2.760 1.00 0.00 H new ATOM 0 HG SER A 57 -17.234 0.003 -3.253 1.00 0.00 H new ATOM 844 N LEU A 58 -12.770 -1.010 -0.898 1.00 0.00 N ATOM 845 CA LEU A 58 -11.806 -2.081 -0.667 1.00 0.00 C ATOM 846 C LEU A 58 -11.621 -2.335 0.825 1.00 0.00 C ATOM 847 O LEU A 58 -11.385 -3.468 1.247 1.00 0.00 O ATOM 848 CB LEU A 58 -10.461 -1.729 -1.308 1.00 0.00 C ATOM 849 CG LEU A 58 -10.212 -2.303 -2.702 1.00 0.00 C ATOM 850 CD1 LEU A 58 -9.011 -1.629 -3.350 1.00 0.00 C ATOM 851 CD2 LEU A 58 -10.005 -3.809 -2.631 1.00 0.00 C ATOM 0 H LEU A 58 -12.371 -0.163 -1.302 1.00 0.00 H new ATOM 0 HA LEU A 58 -12.193 -2.991 -1.125 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -10.381 -0.643 -1.364 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -9.665 -2.073 -0.648 1.00 0.00 H new ATOM 0 HG LEU A 58 -11.090 -2.106 -3.317 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -8.849 -2.050 -4.342 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -9.197 -0.559 -3.437 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -8.126 -1.795 -2.736 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -9.829 -4.200 -3.633 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -9.144 -4.029 -2.000 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -10.893 -4.279 -2.209 1.00 0.00 H new ATOM 863 N CYS A 59 -11.731 -1.276 1.618 1.00 0.00 N ATOM 864 CA CYS A 59 -11.577 -1.384 3.064 1.00 0.00 C ATOM 865 C CYS A 59 -12.561 -2.396 3.641 1.00 0.00 C ATOM 866 O CYS A 59 -13.730 -2.430 3.258 1.00 0.00 O ATOM 867 CB CYS A 59 -11.785 -0.021 3.724 1.00 0.00 C ATOM 868 SG CYS A 59 -10.519 1.202 3.307 1.00 0.00 S ATOM 0 H CYS A 59 -11.926 -0.332 1.284 1.00 0.00 H new ATOM 0 HA CYS A 59 -10.564 -1.729 3.271 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -12.761 0.367 3.431 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -11.806 -0.152 4.806 1.00 0.00 H new ATOM 0 HG CYS A 59 -10.439 1.320 2.015 1.00 0.00 H new ATOM 874 N GLY A 60 -12.080 -3.222 4.565 1.00 0.00 N ATOM 875 CA GLY A 60 -12.930 -4.226 5.179 1.00 0.00 C ATOM 876 C GLY A 60 -12.993 -5.506 4.369 1.00 0.00 C ATOM 877 O GLY A 60 -13.654 -6.465 4.765 1.00 0.00 O ATOM 0 H GLY A 60 -11.116 -3.214 4.900 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -12.558 -4.450 6.179 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -13.936 -3.824 5.296 1.00 0.00 H new ATOM 881 N GLU A 61 -12.307 -5.519 3.231 1.00 0.00 N ATOM 882 CA GLU A 61 -12.292 -6.689 2.362 1.00 0.00 C ATOM 883 C GLU A 61 -10.983 -7.461 2.512 1.00 0.00 C ATOM 884 O GLU A 61 -9.904 -6.869 2.559 1.00 0.00 O ATOM 885 CB GLU A 61 -12.487 -6.272 0.903 1.00 0.00 C ATOM 886 CG GLU A 61 -13.767 -5.493 0.658 1.00 0.00 C ATOM 887 CD GLU A 61 -14.929 -6.385 0.270 1.00 0.00 C ATOM 888 OE1 GLU A 61 -14.808 -7.110 -0.739 1.00 0.00 O ATOM 889 OE2 GLU A 61 -15.960 -6.360 0.975 1.00 0.00 O ATOM 0 H GLU A 61 -11.754 -4.733 2.889 1.00 0.00 H new ATOM 0 HA GLU A 61 -13.114 -7.340 2.658 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.637 -5.665 0.591 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -12.489 -7.164 0.276 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -14.027 -4.936 1.558 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -13.597 -4.761 -0.132 1.00 0.00 H new ATOM 896 N ASP A 62 -11.088 -8.782 2.587 1.00 0.00 N ATOM 897 CA ASP A 62 -9.915 -9.636 2.732 1.00 0.00 C ATOM 898 C ASP A 62 -9.500 -10.222 1.385 1.00 0.00 C ATOM 899 O ASP A 62 -10.195 -11.072 0.825 1.00 0.00 O ATOM 900 CB ASP A 62 -10.195 -10.762 3.728 1.00 0.00 C ATOM 901 CG ASP A 62 -10.865 -10.262 4.992 1.00 0.00 C ATOM 902 OD1 ASP A 62 -10.726 -9.061 5.302 1.00 0.00 O ATOM 903 OD2 ASP A 62 -11.529 -11.073 5.671 1.00 0.00 O ATOM 0 H ASP A 62 -11.974 -9.286 2.550 1.00 0.00 H new ATOM 0 HA ASP A 62 -9.096 -9.024 3.110 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -10.830 -11.512 3.256 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.258 -11.255 3.987 1.00 0.00 H new ATOM 908 N LEU A 63 -8.365 -9.762 0.869 1.00 0.00 N ATOM 909 CA LEU A 63 -7.859 -10.241 -0.412 1.00 0.00 C ATOM 910 C LEU A 63 -6.648 -11.147 -0.215 1.00 0.00 C ATOM 911 O LEU A 63 -5.935 -11.041 0.784 1.00 0.00 O ATOM 912 CB LEU A 63 -7.484 -9.058 -1.308 1.00 0.00 C ATOM 913 CG LEU A 63 -8.212 -7.744 -1.023 1.00 0.00 C ATOM 914 CD1 LEU A 63 -7.540 -6.592 -1.757 1.00 0.00 C ATOM 915 CD2 LEU A 63 -9.677 -7.850 -1.421 1.00 0.00 C ATOM 0 H LEU A 63 -7.779 -9.059 1.318 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.648 -10.819 -0.893 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.412 -8.884 -1.216 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -7.674 -9.338 -2.344 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.160 -7.546 0.048 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.071 -5.665 -1.543 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.506 -6.503 -1.425 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -7.561 -6.783 -2.830 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -10.180 -6.906 -1.211 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -9.750 -8.071 -2.486 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -10.152 -8.649 -0.851 1.00 0.00 H new ATOM 927 N ILE A 64 -6.421 -12.039 -1.174 1.00 0.00 N ATOM 928 CA ILE A 64 -5.295 -12.962 -1.107 1.00 0.00 C ATOM 929 C ILE A 64 -4.252 -12.636 -2.171 1.00 0.00 C ATOM 930 O ILE A 64 -4.576 -12.506 -3.352 1.00 0.00 O ATOM 931 CB ILE A 64 -5.752 -14.422 -1.283 1.00 0.00 C ATOM 932 CG1 ILE A 64 -6.776 -14.792 -0.208 1.00 0.00 C ATOM 933 CG2 ILE A 64 -4.557 -15.361 -1.231 1.00 0.00 C ATOM 934 CD1 ILE A 64 -6.217 -14.748 1.198 1.00 0.00 C ATOM 0 H ILE A 64 -7.002 -12.142 -2.006 1.00 0.00 H new ATOM 0 HA ILE A 64 -4.851 -12.846 -0.118 1.00 0.00 H new ATOM 0 HB ILE A 64 -6.226 -14.524 -2.259 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -7.624 -14.110 -0.275 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -7.156 -15.794 -0.408 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.896 -16.389 -1.357 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.861 -15.108 -2.031 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.056 -15.260 -0.268 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -6.997 -15.021 1.908 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -5.388 -15.450 1.282 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -5.863 -13.741 1.417 1.00 0.00 H new ATOM 946 N ILE A 65 -3.001 -12.506 -1.745 1.00 0.00 N ATOM 947 CA ILE A 65 -1.910 -12.198 -2.662 1.00 0.00 C ATOM 948 C ILE A 65 -0.802 -13.242 -2.569 1.00 0.00 C ATOM 949 O ILE A 65 -0.085 -13.316 -1.571 1.00 0.00 O ATOM 950 CB ILE A 65 -1.314 -10.807 -2.380 1.00 0.00 C ATOM 951 CG1 ILE A 65 -2.334 -9.715 -2.708 1.00 0.00 C ATOM 952 CG2 ILE A 65 -0.038 -10.604 -3.184 1.00 0.00 C ATOM 953 CD1 ILE A 65 -1.949 -8.350 -2.180 1.00 0.00 C ATOM 0 H ILE A 65 -2.717 -12.609 -0.771 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.331 -12.207 -3.667 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.067 -10.742 -1.320 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -2.456 -9.656 -3.790 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.302 -9.997 -2.293 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.371 -9.616 -2.974 1.00 0.00 H new ATOM 0 HG22 ILE A 65 0.691 -11.365 -2.907 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -0.261 -10.685 -4.248 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.718 -7.626 -2.450 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.855 -8.393 -1.095 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -0.996 -8.047 -2.615 1.00 0.00 H new ATOM 965 N LYS A 66 -0.665 -14.047 -3.617 1.00 0.00 N ATOM 966 CA LYS A 66 0.356 -15.086 -3.657 1.00 0.00 C ATOM 967 C LYS A 66 0.094 -16.148 -2.595 1.00 0.00 C ATOM 968 O LYS A 66 1.020 -16.798 -2.111 1.00 0.00 O ATOM 969 CB LYS A 66 1.743 -14.473 -3.449 1.00 0.00 C ATOM 970 CG LYS A 66 2.059 -13.340 -4.411 1.00 0.00 C ATOM 971 CD LYS A 66 3.540 -13.001 -4.406 1.00 0.00 C ATOM 972 CE LYS A 66 4.321 -13.907 -5.345 1.00 0.00 C ATOM 973 NZ LYS A 66 5.673 -13.358 -5.647 1.00 0.00 N ATOM 0 H LYS A 66 -1.250 -13.999 -4.451 1.00 0.00 H new ATOM 0 HA LYS A 66 0.318 -15.561 -4.637 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.817 -14.102 -2.427 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.496 -15.253 -3.560 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.753 -13.621 -5.419 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.482 -12.457 -4.137 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.678 -11.961 -4.703 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.933 -13.098 -3.394 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.422 -14.895 -4.896 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.765 -14.034 -6.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.174 -14.004 -6.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.576 -12.426 -6.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.213 -13.260 -4.764 1.00 0.00 H new ATOM 987 N GLY A 67 -1.175 -16.321 -2.238 1.00 0.00 N ATOM 988 CA GLY A 67 -1.536 -17.307 -1.236 1.00 0.00 C ATOM 989 C GLY A 67 -1.649 -16.710 0.152 1.00 0.00 C ATOM 990 O GLY A 67 -2.267 -17.299 1.040 1.00 0.00 O ATOM 0 H GLY A 67 -1.959 -15.796 -2.625 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.486 -17.766 -1.509 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -0.789 -18.101 -1.227 1.00 0.00 H new ATOM 994 N ILE A 68 -1.053 -15.538 0.340 1.00 0.00 N ATOM 995 CA ILE A 68 -1.089 -14.861 1.631 1.00 0.00 C ATOM 996 C ILE A 68 -2.384 -14.074 1.802 1.00 0.00 C ATOM 997 O ILE A 68 -3.110 -13.836 0.837 1.00 0.00 O ATOM 998 CB ILE A 68 0.106 -13.904 1.798 1.00 0.00 C ATOM 999 CG1 ILE A 68 -0.138 -12.607 1.023 1.00 0.00 C ATOM 1000 CG2 ILE A 68 1.390 -14.573 1.332 1.00 0.00 C ATOM 1001 CD1 ILE A 68 -0.407 -11.413 1.912 1.00 0.00 C ATOM 0 H ILE A 68 -0.539 -15.037 -0.385 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.033 -15.636 2.396 1.00 0.00 H new ATOM 0 HB ILE A 68 0.211 -13.659 2.855 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.731 -12.397 0.399 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.985 -12.748 0.352 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.225 -13.884 1.456 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.569 -15.470 1.925 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.298 -14.845 0.281 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.571 -10.530 1.295 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.294 -11.602 2.517 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.449 -11.246 2.565 1.00 0.00 H new ATOM 1013 N SER A 69 -2.667 -13.671 3.037 1.00 0.00 N ATOM 1014 CA SER A 69 -3.875 -12.912 3.335 1.00 0.00 C ATOM 1015 C SER A 69 -3.531 -11.484 3.747 1.00 0.00 C ATOM 1016 O SER A 69 -2.628 -11.257 4.552 1.00 0.00 O ATOM 1017 CB SER A 69 -4.671 -13.598 4.448 1.00 0.00 C ATOM 1018 OG SER A 69 -6.032 -13.204 4.418 1.00 0.00 O ATOM 0 H SER A 69 -2.076 -13.858 3.847 1.00 0.00 H new ATOM 0 HA SER A 69 -4.484 -12.875 2.432 1.00 0.00 H new ATOM 0 HB2 SER A 69 -4.600 -14.680 4.337 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.238 -13.348 5.416 1.00 0.00 H new ATOM 0 HG SER A 69 -6.520 -13.657 5.137 1.00 0.00 H new ATOM 1024 N VAL A 70 -4.260 -10.522 3.189 1.00 0.00 N ATOM 1025 CA VAL A 70 -4.035 -9.116 3.497 1.00 0.00 C ATOM 1026 C VAL A 70 -5.350 -8.396 3.773 1.00 0.00 C ATOM 1027 O VAL A 70 -6.369 -8.677 3.141 1.00 0.00 O ATOM 1028 CB VAL A 70 -3.302 -8.399 2.347 1.00 0.00 C ATOM 1029 CG1 VAL A 70 -1.862 -8.877 2.253 1.00 0.00 C ATOM 1030 CG2 VAL A 70 -4.033 -8.618 1.032 1.00 0.00 C ATOM 0 H VAL A 70 -5.012 -10.692 2.521 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.412 -9.084 4.391 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.291 -7.329 2.556 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.360 -8.360 1.435 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.346 -8.663 3.189 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.847 -9.951 2.067 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.502 -8.105 0.231 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.077 -9.685 0.813 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -5.045 -8.222 1.108 1.00 0.00 H new ATOM 1040 N HIS A 71 -5.322 -7.466 4.722 1.00 0.00 N ATOM 1041 CA HIS A 71 -6.513 -6.703 5.082 1.00 0.00 C ATOM 1042 C HIS A 71 -6.355 -5.235 4.698 1.00 0.00 C ATOM 1043 O HIS A 71 -5.384 -4.585 5.085 1.00 0.00 O ATOM 1044 CB HIS A 71 -6.788 -6.825 6.581 1.00 0.00 C ATOM 1045 CG HIS A 71 -8.168 -6.395 6.973 1.00 0.00 C ATOM 1046 ND1 HIS A 71 -9.232 -7.268 7.063 1.00 0.00 N ATOM 1047 CD2 HIS A 71 -8.655 -5.176 7.304 1.00 0.00 C ATOM 1048 CE1 HIS A 71 -10.314 -6.605 7.429 1.00 0.00 C ATOM 1049 NE2 HIS A 71 -9.991 -5.333 7.581 1.00 0.00 N ATOM 0 H HIS A 71 -4.488 -7.222 5.256 1.00 0.00 H new ATOM 0 HA HIS A 71 -7.359 -7.114 4.531 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -6.638 -7.861 6.887 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -6.060 -6.224 7.126 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -9.190 -8.270 6.876 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -8.097 -4.252 7.343 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -11.295 -7.030 7.579 1.00 0.00 H new ATOM 1057 N ILE A 72 -7.314 -4.722 3.937 1.00 0.00 N ATOM 1058 CA ILE A 72 -7.281 -3.331 3.502 1.00 0.00 C ATOM 1059 C ILE A 72 -7.945 -2.418 4.527 1.00 0.00 C ATOM 1060 O ILE A 72 -9.133 -2.558 4.820 1.00 0.00 O ATOM 1061 CB ILE A 72 -7.979 -3.150 2.141 1.00 0.00 C ATOM 1062 CG1 ILE A 72 -7.518 -4.228 1.159 1.00 0.00 C ATOM 1063 CG2 ILE A 72 -7.698 -1.763 1.584 1.00 0.00 C ATOM 1064 CD1 ILE A 72 -6.077 -4.074 0.726 1.00 0.00 C ATOM 0 H ILE A 72 -8.124 -5.248 3.608 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.231 -3.057 3.402 1.00 0.00 H new ATOM 0 HB ILE A 72 -9.055 -3.253 2.284 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -7.648 -5.207 1.620 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -8.159 -4.203 0.277 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.198 -1.649 0.622 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -8.071 -1.010 2.278 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -6.624 -1.635 1.452 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -5.819 -4.872 0.030 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -5.945 -3.109 0.236 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.427 -4.129 1.599 1.00 0.00 H new ATOM 1076 N SER A 73 -7.172 -1.482 5.068 1.00 0.00 N ATOM 1077 CA SER A 73 -7.685 -0.547 6.062 1.00 0.00 C ATOM 1078 C SER A 73 -7.032 0.823 5.907 1.00 0.00 C ATOM 1079 O SER A 73 -5.816 0.961 6.027 1.00 0.00 O ATOM 1080 CB SER A 73 -7.440 -1.085 7.474 1.00 0.00 C ATOM 1081 OG SER A 73 -8.633 -1.600 8.038 1.00 0.00 O ATOM 0 H SER A 73 -6.188 -1.351 4.834 1.00 0.00 H new ATOM 0 HA SER A 73 -8.758 -0.439 5.903 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.682 -1.868 7.442 1.00 0.00 H new ATOM 0 HB3 SER A 73 -7.049 -0.289 8.107 1.00 0.00 H new ATOM 0 HG SER A 73 -8.449 -1.939 8.939 1.00 0.00 H new