USER MOD reduce.3.24.130724 H: found=0, std=0, add=389, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 390 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 50 THR OG1 : rot -101:sc= 1.26! USER MOD Set 1.2: A 55 THR OG1 : rot -106:sc= 1.35 USER MOD Set 2.1: A 37 ASN : amide:sc= -0.609 K(o=-7.9,f=-4.8) USER MOD Set 2.2: A 39 HIS : no HD1:sc= -7.27! C(o=-7.9!,f=-4.8!) USER MOD Set 3.1: A 30 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 33 THR OG1 : rot 102:sc= 1.04 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.283) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 94:sc= 0.0954 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -90:sc= -2.5! USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 ASN : amide:sc= -0.256 K(o=-0.26,f=-1.5!) USER MOD Single : A 54 LYS NZ :NH3+ 162:sc= -0.112 (180deg=-0.357) USER MOD Single : A 61 ASN : amide:sc= 0.145 K(o=0.15,f=-1.8!) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 114 N ARG A 11 -1.048 -11.902 6.677 1.00 0.00 N ATOM 115 CA ARG A 11 -0.874 -11.898 5.234 1.00 0.00 C ATOM 116 C ARG A 11 0.047 -10.751 4.813 1.00 0.00 C ATOM 117 O ARG A 11 0.597 -10.049 5.661 1.00 0.00 O ATOM 118 CB ARG A 11 -2.218 -11.753 4.518 1.00 0.00 C ATOM 119 CG ARG A 11 -2.510 -12.976 3.646 1.00 0.00 C ATOM 120 CD ARG A 11 -4.000 -13.066 3.310 1.00 0.00 C ATOM 121 NE ARG A 11 -4.465 -14.465 3.440 1.00 0.00 N ATOM 122 CZ ARG A 11 -4.053 -15.469 2.654 1.00 0.00 C ATOM 123 NH1 ARG A 11 -3.166 -15.235 1.678 1.00 0.00 N ATOM 124 NH2 ARG A 11 -4.529 -16.708 2.845 1.00 0.00 N ATOM 0 HA ARG A 11 -0.425 -12.850 4.952 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.014 -11.627 5.252 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.210 -10.855 3.900 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -1.929 -12.918 2.726 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -2.195 -13.881 4.165 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -4.571 -12.421 3.977 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -4.174 -12.709 2.295 1.00 0.00 H new ATOM 0 HE ARG A 11 -5.141 -14.678 4.173 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -2.804 -14.292 1.533 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -2.852 -15.999 1.080 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -5.204 -16.886 3.588 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -4.216 -17.473 2.247 1.00 0.00 H new ATOM 138 N LYS A 12 0.187 -10.596 3.505 1.00 0.00 N ATOM 139 CA LYS A 12 1.032 -9.547 2.962 1.00 0.00 C ATOM 140 C LYS A 12 0.417 -9.024 1.662 1.00 0.00 C ATOM 141 O LYS A 12 -0.626 -9.509 1.226 1.00 0.00 O ATOM 142 CB LYS A 12 2.471 -10.044 2.805 1.00 0.00 C ATOM 143 CG LYS A 12 3.070 -10.426 4.160 1.00 0.00 C ATOM 144 CD LYS A 12 4.465 -11.031 3.992 1.00 0.00 C ATOM 145 CE LYS A 12 5.132 -11.257 5.350 1.00 0.00 C ATOM 146 NZ LYS A 12 6.199 -12.276 5.241 1.00 0.00 N ATOM 0 H LYS A 12 -0.271 -11.180 2.805 1.00 0.00 H new ATOM 0 HA LYS A 12 1.084 -8.705 3.652 1.00 0.00 H new ATOM 0 HB2 LYS A 12 2.491 -10.906 2.138 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.079 -9.268 2.340 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.127 -9.544 4.798 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.418 -11.141 4.661 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.393 -11.978 3.456 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.082 -10.368 3.386 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.552 -10.320 5.716 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.387 -11.578 6.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.641 -12.417 6.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 5.789 -13.174 4.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.918 -11.955 4.562 1.00 0.00 H new ATOM 160 N ALA A 13 1.089 -8.042 1.080 1.00 0.00 N ATOM 161 CA ALA A 13 0.622 -7.449 -0.162 1.00 0.00 C ATOM 162 C ALA A 13 1.759 -6.649 -0.799 1.00 0.00 C ATOM 163 O ALA A 13 2.587 -6.071 -0.096 1.00 0.00 O ATOM 164 CB ALA A 13 -0.612 -6.588 0.117 1.00 0.00 C ATOM 0 H ALA A 13 1.953 -7.642 1.445 1.00 0.00 H new ATOM 0 HA ALA A 13 0.327 -8.223 -0.870 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.963 -6.143 -0.814 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.400 -7.209 0.542 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.353 -5.798 0.822 1.00 0.00 H new ATOM 170 N LYS A 14 1.764 -6.641 -2.124 1.00 0.00 N ATOM 171 CA LYS A 14 2.786 -5.921 -2.865 1.00 0.00 C ATOM 172 C LYS A 14 2.146 -4.734 -3.588 1.00 0.00 C ATOM 173 O LYS A 14 1.154 -4.897 -4.297 1.00 0.00 O ATOM 174 CB LYS A 14 3.544 -6.871 -3.794 1.00 0.00 C ATOM 175 CG LYS A 14 4.120 -6.120 -4.996 1.00 0.00 C ATOM 176 CD LYS A 14 5.040 -7.024 -5.819 1.00 0.00 C ATOM 177 CE LYS A 14 4.287 -7.646 -6.997 1.00 0.00 C ATOM 178 NZ LYS A 14 3.621 -8.900 -6.583 1.00 0.00 N ATOM 0 H LYS A 14 1.076 -7.122 -2.704 1.00 0.00 H new ATOM 0 HA LYS A 14 3.534 -5.514 -2.184 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.350 -7.357 -3.244 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.874 -7.658 -4.140 1.00 0.00 H new ATOM 0 HG2 LYS A 14 3.308 -5.754 -5.624 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.675 -5.247 -4.652 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.887 -6.447 -6.189 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.444 -7.812 -5.184 1.00 0.00 H new ATOM 0 HE2 LYS A 14 3.546 -6.942 -7.375 1.00 0.00 H new ATOM 0 HE3 LYS A 14 4.980 -7.848 -7.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 3.380 -9.460 -7.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 4.261 -9.449 -5.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 2.752 -8.675 -6.057 1.00 0.00 H new ATOM 192 N ALA A 15 2.739 -3.567 -3.383 1.00 0.00 N ATOM 193 CA ALA A 15 2.239 -2.354 -4.007 1.00 0.00 C ATOM 194 C ALA A 15 2.439 -2.444 -5.521 1.00 0.00 C ATOM 195 O ALA A 15 3.530 -2.767 -5.988 1.00 0.00 O ATOM 196 CB ALA A 15 2.942 -1.140 -3.397 1.00 0.00 C ATOM 0 H ALA A 15 3.561 -3.436 -2.794 1.00 0.00 H new ATOM 0 HA ALA A 15 1.171 -2.240 -3.822 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.567 -0.230 -3.865 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.744 -1.105 -2.326 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.016 -1.219 -3.565 1.00 0.00 H new ATOM 202 N LEU A 16 1.368 -2.153 -6.245 1.00 0.00 N ATOM 203 CA LEU A 16 1.413 -2.198 -7.697 1.00 0.00 C ATOM 204 C LEU A 16 2.057 -0.914 -8.223 1.00 0.00 C ATOM 205 O LEU A 16 2.971 -0.965 -9.044 1.00 0.00 O ATOM 206 CB LEU A 16 0.018 -2.464 -8.268 1.00 0.00 C ATOM 207 CG LEU A 16 -0.680 -3.730 -7.768 1.00 0.00 C ATOM 208 CD1 LEU A 16 -2.157 -3.736 -8.167 1.00 0.00 C ATOM 209 CD2 LEU A 16 0.049 -4.986 -8.251 1.00 0.00 C ATOM 0 H LEU A 16 0.465 -1.885 -5.854 1.00 0.00 H new ATOM 0 HA LEU A 16 2.034 -3.028 -8.033 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.616 -1.608 -8.038 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.096 -2.520 -9.354 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.640 -3.734 -6.679 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.630 -4.647 -7.799 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.655 -2.869 -7.733 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.241 -3.697 -9.253 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.468 -5.872 -7.881 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.063 -5.002 -9.341 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.072 -4.980 -7.875 1.00 0.00 H new ATOM 221 N TYR A 17 1.556 0.208 -7.727 1.00 0.00 N ATOM 222 CA TYR A 17 2.071 1.504 -8.137 1.00 0.00 C ATOM 223 C TYR A 17 2.439 2.356 -6.921 1.00 0.00 C ATOM 224 O TYR A 17 1.833 2.224 -5.859 1.00 0.00 O ATOM 225 CB TYR A 17 0.935 2.188 -8.899 1.00 0.00 C ATOM 226 CG TYR A 17 0.185 1.263 -9.860 1.00 0.00 C ATOM 227 CD1 TYR A 17 -0.830 0.455 -9.389 1.00 0.00 C ATOM 228 CD2 TYR A 17 0.524 1.236 -11.198 1.00 0.00 C ATOM 229 CE1 TYR A 17 -1.535 -0.416 -10.293 1.00 0.00 C ATOM 230 CE2 TYR A 17 -0.182 0.366 -12.102 1.00 0.00 C ATOM 231 CZ TYR A 17 -1.177 -0.417 -11.605 1.00 0.00 C ATOM 232 OH TYR A 17 -1.843 -1.239 -12.459 1.00 0.00 O ATOM 0 H TYR A 17 0.799 0.247 -7.045 1.00 0.00 H new ATOM 0 HA TYR A 17 2.969 1.386 -8.744 1.00 0.00 H new ATOM 0 HB2 TYR A 17 0.226 2.601 -8.181 1.00 0.00 H new ATOM 0 HB3 TYR A 17 1.343 3.027 -9.463 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -1.095 0.476 -8.342 1.00 0.00 H new ATOM 0 HD2 TYR A 17 1.319 1.868 -11.567 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -2.330 -1.054 -9.937 1.00 0.00 H new ATOM 0 HE2 TYR A 17 0.073 0.336 -13.151 1.00 0.00 H new ATOM 0 HH TYR A 17 -1.481 -1.133 -13.364 1.00 0.00 H new ATOM 242 N ALA A 18 3.431 3.213 -7.117 1.00 0.00 N ATOM 243 CA ALA A 18 3.887 4.087 -6.050 1.00 0.00 C ATOM 244 C ALA A 18 2.769 5.066 -5.685 1.00 0.00 C ATOM 245 O ALA A 18 2.171 5.686 -6.563 1.00 0.00 O ATOM 246 CB ALA A 18 5.167 4.802 -6.488 1.00 0.00 C ATOM 0 H ALA A 18 3.931 3.320 -7.999 1.00 0.00 H new ATOM 0 HA ALA A 18 4.125 3.510 -5.156 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.509 5.458 -5.688 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.939 4.064 -6.708 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.966 5.394 -7.381 1.00 0.00 H new ATOM 252 N CYS A 19 2.520 5.173 -4.388 1.00 0.00 N ATOM 253 CA CYS A 19 1.484 6.065 -3.896 1.00 0.00 C ATOM 254 C CYS A 19 2.068 6.894 -2.751 1.00 0.00 C ATOM 255 O CYS A 19 2.981 6.446 -2.059 1.00 0.00 O ATOM 256 CB CYS A 19 0.233 5.297 -3.465 1.00 0.00 C ATOM 257 SG CYS A 19 -1.268 6.241 -3.915 1.00 0.00 S ATOM 0 H CYS A 19 3.018 4.657 -3.663 1.00 0.00 H new ATOM 0 HA CYS A 19 1.163 6.730 -4.698 1.00 0.00 H new ATOM 0 HB2 CYS A 19 0.214 4.318 -3.944 1.00 0.00 H new ATOM 0 HB3 CYS A 19 0.255 5.125 -2.389 1.00 0.00 H new ATOM 0 HG CYS A 19 -1.702 5.840 -5.073 1.00 0.00 H new ATOM 263 N LYS A 20 1.517 8.088 -2.586 1.00 0.00 N ATOM 264 CA LYS A 20 1.972 8.983 -1.536 1.00 0.00 C ATOM 265 C LYS A 20 0.858 9.157 -0.501 1.00 0.00 C ATOM 266 O LYS A 20 -0.308 8.897 -0.791 1.00 0.00 O ATOM 267 CB LYS A 20 2.468 10.302 -2.134 1.00 0.00 C ATOM 268 CG LYS A 20 3.718 10.798 -1.405 1.00 0.00 C ATOM 269 CD LYS A 20 3.855 12.318 -1.525 1.00 0.00 C ATOM 270 CE LYS A 20 5.088 12.818 -0.770 1.00 0.00 C ATOM 271 NZ LYS A 20 4.689 13.713 0.339 1.00 0.00 N ATOM 0 H LYS A 20 0.760 8.456 -3.162 1.00 0.00 H new ATOM 0 HA LYS A 20 2.828 8.554 -1.014 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.690 10.165 -3.192 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.682 11.054 -2.068 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.666 10.516 -0.353 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.602 10.315 -1.822 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.929 12.598 -2.576 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.961 12.800 -1.129 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.650 11.970 -0.377 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.750 13.349 -1.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.538 14.043 0.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.173 14.531 -0.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.076 13.195 1.000 1.00 0.00 H new ATOM 350 N GLU A 26 -2.766 7.666 5.846 1.00 0.00 N ATOM 351 CA GLU A 26 -2.311 6.901 4.697 1.00 0.00 C ATOM 352 C GLU A 26 -0.802 6.664 4.781 1.00 0.00 C ATOM 353 O GLU A 26 -0.108 7.327 5.550 1.00 0.00 O ATOM 354 CB GLU A 26 -2.683 7.602 3.389 1.00 0.00 C ATOM 355 CG GLU A 26 -4.055 7.142 2.892 1.00 0.00 C ATOM 356 CD GLU A 26 -4.322 7.649 1.473 1.00 0.00 C ATOM 357 OE1 GLU A 26 -3.368 8.191 0.875 1.00 0.00 O ATOM 358 OE2 GLU A 26 -5.475 7.483 1.019 1.00 0.00 O ATOM 0 HA GLU A 26 -2.813 5.933 4.708 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.690 8.681 3.540 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.928 7.391 2.632 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.106 6.053 2.909 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.831 7.508 3.565 1.00 0.00 H new ATOM 365 N LEU A 27 -0.339 5.715 3.980 1.00 0.00 N ATOM 366 CA LEU A 27 1.076 5.382 3.955 1.00 0.00 C ATOM 367 C LEU A 27 1.659 5.758 2.591 1.00 0.00 C ATOM 368 O LEU A 27 0.923 5.907 1.617 1.00 0.00 O ATOM 369 CB LEU A 27 1.287 3.914 4.331 1.00 0.00 C ATOM 370 CG LEU A 27 0.596 3.444 5.613 1.00 0.00 C ATOM 371 CD1 LEU A 27 0.353 1.934 5.582 1.00 0.00 C ATOM 372 CD2 LEU A 27 1.387 3.873 6.851 1.00 0.00 C ATOM 0 H LEU A 27 -0.918 5.167 3.344 1.00 0.00 H new ATOM 0 HA LEU A 27 1.618 5.960 4.704 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.938 3.294 3.505 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.358 3.736 4.433 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.380 3.926 5.672 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.139 1.626 6.504 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.282 1.685 4.731 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.306 1.414 5.488 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.874 3.527 7.748 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.386 3.439 6.813 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.465 4.960 6.874 1.00 0.00 H new ATOM 384 N SER A 28 2.976 5.899 2.565 1.00 0.00 N ATOM 385 CA SER A 28 3.667 6.254 1.337 1.00 0.00 C ATOM 386 C SER A 28 4.741 5.211 1.020 1.00 0.00 C ATOM 387 O SER A 28 5.593 4.918 1.858 1.00 0.00 O ATOM 388 CB SER A 28 4.293 7.646 1.441 1.00 0.00 C ATOM 389 OG SER A 28 3.399 8.592 2.019 1.00 0.00 O ATOM 0 H SER A 28 3.583 5.774 3.375 1.00 0.00 H new ATOM 0 HA SER A 28 2.938 6.272 0.527 1.00 0.00 H new ATOM 0 HB2 SER A 28 5.201 7.591 2.042 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.588 7.986 0.448 1.00 0.00 H new ATOM 0 HG SER A 28 3.837 9.467 2.069 1.00 0.00 H new ATOM 395 N PHE A 29 4.664 4.679 -0.191 1.00 0.00 N ATOM 396 CA PHE A 29 5.619 3.675 -0.628 1.00 0.00 C ATOM 397 C PHE A 29 5.829 3.741 -2.143 1.00 0.00 C ATOM 398 O PHE A 29 5.300 4.631 -2.808 1.00 0.00 O ATOM 399 CB PHE A 29 5.030 2.310 -0.266 1.00 0.00 C ATOM 400 CG PHE A 29 3.533 2.183 -0.552 1.00 0.00 C ATOM 401 CD1 PHE A 29 3.100 1.950 -1.820 1.00 0.00 C ATOM 402 CD2 PHE A 29 2.634 2.302 0.462 1.00 0.00 C ATOM 403 CE1 PHE A 29 1.710 1.832 -2.086 1.00 0.00 C ATOM 404 CE2 PHE A 29 1.244 2.184 0.197 1.00 0.00 C ATOM 405 CZ PHE A 29 0.811 1.951 -1.071 1.00 0.00 C ATOM 0 H PHE A 29 3.956 4.924 -0.883 1.00 0.00 H new ATOM 0 HA PHE A 29 6.582 3.843 -0.147 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.562 1.537 -0.821 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.205 2.120 0.793 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.814 1.855 -2.625 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.978 2.486 1.469 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.366 1.648 -3.093 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.531 2.279 1.002 1.00 0.00 H new ATOM 0 HZ PHE A 29 -0.246 1.860 -1.273 1.00 0.00 H new ATOM 415 N THR A 30 6.602 2.789 -2.643 1.00 0.00 N ATOM 416 CA THR A 30 6.888 2.728 -4.066 1.00 0.00 C ATOM 417 C THR A 30 6.561 1.338 -4.617 1.00 0.00 C ATOM 418 O THR A 30 6.652 0.344 -3.898 1.00 0.00 O ATOM 419 CB THR A 30 8.348 3.135 -4.273 1.00 0.00 C ATOM 420 OG1 THR A 30 9.089 2.136 -3.577 1.00 0.00 O ATOM 421 CG2 THR A 30 8.702 4.434 -3.547 1.00 0.00 C ATOM 0 H THR A 30 7.039 2.053 -2.088 1.00 0.00 H new ATOM 0 HA THR A 30 6.260 3.421 -4.625 1.00 0.00 H new ATOM 0 HB THR A 30 8.545 3.249 -5.339 1.00 0.00 H new ATOM 0 HG1 THR A 30 10.048 2.322 -3.661 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.749 4.678 -3.727 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.072 5.242 -3.919 1.00 0.00 H new ATOM 0 HG23 THR A 30 8.537 4.309 -2.477 1.00 0.00 H new ATOM 429 N ALA A 31 6.187 1.313 -5.888 1.00 0.00 N ATOM 430 CA ALA A 31 5.846 0.062 -6.543 1.00 0.00 C ATOM 431 C ALA A 31 6.903 -0.991 -6.204 1.00 0.00 C ATOM 432 O ALA A 31 8.099 -0.704 -6.224 1.00 0.00 O ATOM 433 CB ALA A 31 5.715 0.294 -8.050 1.00 0.00 C ATOM 0 H ALA A 31 6.113 2.139 -6.481 1.00 0.00 H new ATOM 0 HA ALA A 31 4.885 -0.309 -6.186 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.459 -0.645 -8.542 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.931 1.028 -8.238 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.661 0.664 -8.445 1.00 0.00 H new ATOM 439 N GLY A 32 6.424 -2.188 -5.901 1.00 0.00 N ATOM 440 CA GLY A 32 7.313 -3.285 -5.559 1.00 0.00 C ATOM 441 C GLY A 32 7.627 -3.289 -4.061 1.00 0.00 C ATOM 442 O GLY A 32 8.712 -3.702 -3.652 1.00 0.00 O ATOM 0 H GLY A 32 5.431 -2.423 -5.885 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.853 -4.232 -5.840 1.00 0.00 H new ATOM 0 HA3 GLY A 32 8.239 -3.199 -6.128 1.00 0.00 H new ATOM 446 N THR A 33 6.660 -2.825 -3.285 1.00 0.00 N ATOM 447 CA THR A 33 6.820 -2.769 -1.841 1.00 0.00 C ATOM 448 C THR A 33 5.861 -3.748 -1.160 1.00 0.00 C ATOM 449 O THR A 33 4.645 -3.627 -1.296 1.00 0.00 O ATOM 450 CB THR A 33 6.622 -1.318 -1.399 1.00 0.00 C ATOM 451 OG1 THR A 33 7.861 -0.687 -1.713 1.00 0.00 O ATOM 452 CG2 THR A 33 6.507 -1.179 0.120 1.00 0.00 C ATOM 0 H THR A 33 5.762 -2.484 -3.628 1.00 0.00 H new ATOM 0 HA THR A 33 7.820 -3.081 -1.542 1.00 0.00 H new ATOM 0 HB THR A 33 5.725 -0.915 -1.869 1.00 0.00 H new ATOM 0 HG1 THR A 33 7.766 -0.174 -2.542 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.368 -0.130 0.380 1.00 0.00 H new ATOM 0 HG22 THR A 33 5.654 -1.757 0.475 1.00 0.00 H new ATOM 0 HG23 THR A 33 7.418 -1.551 0.589 1.00 0.00 H new ATOM 460 N VAL A 34 6.446 -4.696 -0.443 1.00 0.00 N ATOM 461 CA VAL A 34 5.659 -5.695 0.260 1.00 0.00 C ATOM 462 C VAL A 34 5.259 -5.150 1.632 1.00 0.00 C ATOM 463 O VAL A 34 6.106 -4.674 2.386 1.00 0.00 O ATOM 464 CB VAL A 34 6.436 -7.011 0.342 1.00 0.00 C ATOM 465 CG1 VAL A 34 5.929 -7.875 1.498 1.00 0.00 C ATOM 466 CG2 VAL A 34 6.368 -7.772 -0.983 1.00 0.00 C ATOM 0 H VAL A 34 7.455 -4.794 -0.334 1.00 0.00 H new ATOM 0 HA VAL A 34 4.740 -5.910 -0.285 1.00 0.00 H new ATOM 0 HB VAL A 34 7.481 -6.771 0.536 1.00 0.00 H new ATOM 0 HG11 VAL A 34 6.498 -8.804 1.534 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.054 -7.336 2.437 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.873 -8.101 1.347 1.00 0.00 H new ATOM 0 HG21 VAL A 34 6.928 -8.703 -0.897 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.328 -7.995 -1.222 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.799 -7.161 -1.776 1.00 0.00 H new ATOM 476 N PHE A 35 3.967 -5.239 1.915 1.00 0.00 N ATOM 477 CA PHE A 35 3.444 -4.760 3.183 1.00 0.00 C ATOM 478 C PHE A 35 3.227 -5.919 4.159 1.00 0.00 C ATOM 479 O PHE A 35 2.423 -6.813 3.897 1.00 0.00 O ATOM 480 CB PHE A 35 2.097 -4.096 2.890 1.00 0.00 C ATOM 481 CG PHE A 35 2.184 -2.915 1.922 1.00 0.00 C ATOM 482 CD1 PHE A 35 2.500 -1.677 2.386 1.00 0.00 C ATOM 483 CD2 PHE A 35 1.944 -3.103 0.596 1.00 0.00 C ATOM 484 CE1 PHE A 35 2.580 -0.580 1.487 1.00 0.00 C ATOM 485 CE2 PHE A 35 2.024 -2.007 -0.303 1.00 0.00 C ATOM 486 CZ PHE A 35 2.340 -0.769 0.162 1.00 0.00 C ATOM 0 H PHE A 35 3.267 -5.636 1.288 1.00 0.00 H new ATOM 0 HA PHE A 35 4.149 -4.064 3.638 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.418 -4.842 2.477 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.661 -3.753 3.828 1.00 0.00 H new ATOM 0 HD1 PHE A 35 2.690 -1.527 3.439 1.00 0.00 H new ATOM 0 HD2 PHE A 35 1.693 -4.086 0.227 1.00 0.00 H new ATOM 0 HE1 PHE A 35 2.831 0.404 1.856 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.834 -2.157 -1.356 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.400 0.065 -0.522 1.00 0.00 H new ATOM 496 N ASP A 36 3.956 -5.866 5.263 1.00 0.00 N ATOM 497 CA ASP A 36 3.853 -6.900 6.279 1.00 0.00 C ATOM 498 C ASP A 36 2.561 -6.701 7.074 1.00 0.00 C ATOM 499 O ASP A 36 2.278 -5.598 7.539 1.00 0.00 O ATOM 500 CB ASP A 36 5.027 -6.829 7.258 1.00 0.00 C ATOM 501 CG ASP A 36 6.103 -7.897 7.056 1.00 0.00 C ATOM 502 OD1 ASP A 36 6.485 -8.103 5.884 1.00 0.00 O ATOM 503 OD2 ASP A 36 6.520 -8.483 8.078 1.00 0.00 O ATOM 0 H ASP A 36 4.621 -5.123 5.477 1.00 0.00 H new ATOM 0 HA ASP A 36 3.860 -7.868 5.777 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.491 -5.846 7.174 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.639 -6.913 8.273 1.00 0.00 H new ATOM 508 N ASN A 37 1.812 -7.786 7.205 1.00 0.00 N ATOM 509 CA ASN A 37 0.557 -7.744 7.936 1.00 0.00 C ATOM 510 C ASN A 37 -0.423 -6.822 7.206 1.00 0.00 C ATOM 511 O ASN A 37 -0.525 -5.639 7.528 1.00 0.00 O ATOM 512 CB ASN A 37 0.760 -7.194 9.349 1.00 0.00 C ATOM 513 CG ASN A 37 -0.174 -7.885 10.345 1.00 0.00 C ATOM 514 OD1 ASN A 37 0.223 -8.745 11.114 1.00 0.00 O ATOM 515 ND2 ASN A 37 -1.433 -7.461 10.289 1.00 0.00 N ATOM 0 H ASN A 37 2.050 -8.699 6.818 1.00 0.00 H new ATOM 0 HA ASN A 37 0.169 -8.761 7.997 1.00 0.00 H new ATOM 0 HB2 ASN A 37 1.796 -7.340 9.655 1.00 0.00 H new ATOM 0 HB3 ASN A 37 0.574 -6.120 9.355 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -2.134 -7.859 10.914 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -1.698 -6.737 9.621 1.00 0.00 H new ATOM 522 N VAL A 38 -1.119 -7.399 6.237 1.00 0.00 N ATOM 523 CA VAL A 38 -2.086 -6.644 5.460 1.00 0.00 C ATOM 524 C VAL A 38 -3.497 -7.133 5.795 1.00 0.00 C ATOM 525 O VAL A 38 -3.749 -8.336 5.827 1.00 0.00 O ATOM 526 CB VAL A 38 -1.756 -6.749 3.969 1.00 0.00 C ATOM 527 CG1 VAL A 38 -2.878 -6.154 3.116 1.00 0.00 C ATOM 528 CG2 VAL A 38 -0.416 -6.080 3.656 1.00 0.00 C ATOM 0 H VAL A 38 -1.032 -8.380 5.973 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.039 -5.586 5.717 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.669 -7.806 3.719 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.618 -6.241 2.061 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.806 -6.693 3.307 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.011 -5.103 3.371 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.205 -6.169 2.590 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.463 -5.026 3.930 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.376 -6.568 4.224 1.00 0.00 H new ATOM 538 N HIS A 39 -4.379 -6.175 6.037 1.00 0.00 N ATOM 539 CA HIS A 39 -5.757 -6.492 6.369 1.00 0.00 C ATOM 540 C HIS A 39 -6.672 -5.359 5.902 1.00 0.00 C ATOM 541 O HIS A 39 -6.212 -4.243 5.663 1.00 0.00 O ATOM 542 CB HIS A 39 -5.901 -6.794 7.862 1.00 0.00 C ATOM 543 CG HIS A 39 -5.002 -5.962 8.746 1.00 0.00 C ATOM 544 ND1 HIS A 39 -5.458 -5.312 9.880 1.00 0.00 N ATOM 545 CD2 HIS A 39 -3.671 -5.682 8.651 1.00 0.00 C ATOM 546 CE1 HIS A 39 -4.439 -4.672 10.434 1.00 0.00 C ATOM 547 NE2 HIS A 39 -3.332 -4.902 9.670 1.00 0.00 N ATOM 0 H HIS A 39 -4.166 -5.178 6.010 1.00 0.00 H new ATOM 0 HA HIS A 39 -6.062 -7.397 5.844 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -6.937 -6.629 8.157 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -5.685 -7.849 8.031 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -3.005 -6.035 7.877 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -4.478 -4.074 11.332 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -2.398 -4.535 9.852 1.00 0.00 H new ATOM 555 N PRO A 40 -7.985 -5.692 5.784 1.00 0.00 N ATOM 556 CA PRO A 40 -8.969 -4.714 5.350 1.00 0.00 C ATOM 557 C PRO A 40 -9.286 -3.721 6.470 1.00 0.00 C ATOM 558 O PRO A 40 -9.901 -4.085 7.471 1.00 0.00 O ATOM 559 CB PRO A 40 -10.176 -5.534 4.923 1.00 0.00 C ATOM 560 CG PRO A 40 -10.000 -6.900 5.566 1.00 0.00 C ATOM 561 CD PRO A 40 -8.566 -7.003 6.059 1.00 0.00 C ATOM 0 HA PRO A 40 -8.613 -4.095 4.526 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -11.103 -5.064 5.251 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -10.228 -5.617 3.837 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -10.698 -7.025 6.394 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -10.214 -7.691 4.847 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -8.529 -7.237 7.123 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -8.024 -7.793 5.539 1.00 0.00 H new ATOM 569 N SER A 41 -8.853 -2.487 6.263 1.00 0.00 N ATOM 570 CA SER A 41 -9.083 -1.438 7.243 1.00 0.00 C ATOM 571 C SER A 41 -10.574 -1.351 7.575 1.00 0.00 C ATOM 572 O SER A 41 -10.992 -1.720 8.671 1.00 0.00 O ATOM 573 CB SER A 41 -8.572 -0.089 6.736 1.00 0.00 C ATOM 574 OG SER A 41 -8.233 0.790 7.805 1.00 0.00 O ATOM 0 H SER A 41 -8.344 -2.189 5.431 1.00 0.00 H new ATOM 0 HA SER A 41 -8.530 -1.688 8.148 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.697 -0.247 6.105 1.00 0.00 H new ATOM 0 HB3 SER A 41 -9.335 0.376 6.112 1.00 0.00 H new ATOM 0 HG SER A 41 -9.018 1.322 8.053 1.00 0.00 H new ATOM 580 N GLN A 42 -11.335 -0.860 6.608 1.00 0.00 N ATOM 581 CA GLN A 42 -12.770 -0.719 6.784 1.00 0.00 C ATOM 582 C GLN A 42 -13.359 0.150 5.671 1.00 0.00 C ATOM 583 O GLN A 42 -14.504 -0.045 5.266 1.00 0.00 O ATOM 584 CB GLN A 42 -13.100 -0.143 8.162 1.00 0.00 C ATOM 585 CG GLN A 42 -13.494 -1.251 9.140 1.00 0.00 C ATOM 586 CD GLN A 42 -14.893 -1.007 9.711 1.00 0.00 C ATOM 587 OE1 GLN A 42 -15.065 -0.483 10.799 1.00 0.00 O ATOM 588 NE2 GLN A 42 -15.879 -1.416 8.918 1.00 0.00 N ATOM 0 H GLN A 42 -10.985 -0.555 5.700 1.00 0.00 H new ATOM 0 HA GLN A 42 -13.222 -1.709 6.723 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -12.237 0.399 8.549 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -13.915 0.576 8.074 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -13.468 -2.215 8.632 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -12.769 -1.299 9.952 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -15.665 -1.847 8.019 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -16.850 -1.298 9.209 1.00 0.00 H new ATOM 597 N GLU A 43 -12.549 1.091 5.207 1.00 0.00 N ATOM 598 CA GLU A 43 -12.975 1.990 4.149 1.00 0.00 C ATOM 599 C GLU A 43 -13.181 1.216 2.845 1.00 0.00 C ATOM 600 O GLU A 43 -12.746 0.073 2.723 1.00 0.00 O ATOM 601 CB GLU A 43 -11.970 3.127 3.958 1.00 0.00 C ATOM 602 CG GLU A 43 -12.378 4.362 4.765 1.00 0.00 C ATOM 603 CD GLU A 43 -12.621 4.001 6.232 1.00 0.00 C ATOM 604 OE1 GLU A 43 -11.893 3.114 6.727 1.00 0.00 O ATOM 605 OE2 GLU A 43 -13.530 4.622 6.826 1.00 0.00 O ATOM 0 H GLU A 43 -11.600 1.250 5.545 1.00 0.00 H new ATOM 0 HA GLU A 43 -13.927 2.435 4.439 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -10.979 2.797 4.268 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -11.904 3.385 2.901 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -11.597 5.120 4.697 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -13.282 4.797 4.339 1.00 0.00 H new ATOM 612 N PRO A 44 -13.864 1.888 1.880 1.00 0.00 N ATOM 613 CA PRO A 44 -14.133 1.276 0.590 1.00 0.00 C ATOM 614 C PRO A 44 -12.872 1.243 -0.276 1.00 0.00 C ATOM 615 O PRO A 44 -12.388 2.286 -0.713 1.00 0.00 O ATOM 616 CB PRO A 44 -15.249 2.112 -0.017 1.00 0.00 C ATOM 617 CG PRO A 44 -15.243 3.429 0.742 1.00 0.00 C ATOM 618 CD PRO A 44 -14.395 3.244 1.990 1.00 0.00 C ATOM 0 HA PRO A 44 -14.436 0.232 0.675 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -15.081 2.274 -1.082 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -16.211 1.609 0.081 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.837 4.226 0.120 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -16.259 3.720 1.010 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -13.593 3.981 2.037 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -14.991 3.364 2.895 1.00 0.00 H new ATOM 626 N GLY A 45 -12.376 0.035 -0.497 1.00 0.00 N ATOM 627 CA GLY A 45 -11.181 -0.147 -1.303 1.00 0.00 C ATOM 628 C GLY A 45 -9.954 0.442 -0.604 1.00 0.00 C ATOM 629 O GLY A 45 -9.179 1.176 -1.217 1.00 0.00 O ATOM 0 H GLY A 45 -12.780 -0.828 -0.132 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -11.023 -1.209 -1.490 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -11.316 0.331 -2.273 1.00 0.00 H new ATOM 633 N TRP A 46 -9.815 0.100 0.668 1.00 0.00 N ATOM 634 CA TRP A 46 -8.696 0.587 1.457 1.00 0.00 C ATOM 635 C TRP A 46 -8.285 -0.521 2.429 1.00 0.00 C ATOM 636 O TRP A 46 -9.135 -1.129 3.078 1.00 0.00 O ATOM 637 CB TRP A 46 -9.050 1.898 2.160 1.00 0.00 C ATOM 638 CG TRP A 46 -9.189 3.094 1.215 1.00 0.00 C ATOM 639 CD1 TRP A 46 -10.316 3.656 0.757 1.00 0.00 C ATOM 640 CD2 TRP A 46 -8.113 3.855 0.628 1.00 0.00 C ATOM 641 NE1 TRP A 46 -10.046 4.720 -0.079 1.00 0.00 N ATOM 642 CE2 TRP A 46 -8.664 4.845 -0.160 1.00 0.00 C ATOM 643 CE3 TRP A 46 -6.720 3.712 0.758 1.00 0.00 C ATOM 644 CZ2 TRP A 46 -7.895 5.768 -0.880 1.00 0.00 C ATOM 645 CZ3 TRP A 46 -5.967 4.643 0.033 1.00 0.00 C ATOM 646 CH2 TRP A 46 -6.506 5.645 -0.765 1.00 0.00 C ATOM 0 H TRP A 46 -10.459 -0.509 1.173 1.00 0.00 H new ATOM 0 HA TRP A 46 -7.846 0.821 0.817 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -9.986 1.766 2.702 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -8.281 2.120 2.900 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -11.310 3.319 1.010 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -10.734 5.307 -0.551 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -6.267 2.945 1.369 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -8.350 6.534 -1.491 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -4.891 4.578 0.098 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -5.856 6.326 -1.294 1.00 0.00 H new ATOM 657 N LEU A 47 -6.982 -0.750 2.498 1.00 0.00 N ATOM 658 CA LEU A 47 -6.449 -1.774 3.380 1.00 0.00 C ATOM 659 C LEU A 47 -5.649 -1.109 4.502 1.00 0.00 C ATOM 660 O LEU A 47 -5.321 0.073 4.419 1.00 0.00 O ATOM 661 CB LEU A 47 -5.648 -2.805 2.582 1.00 0.00 C ATOM 662 CG LEU A 47 -6.368 -3.436 1.389 1.00 0.00 C ATOM 663 CD1 LEU A 47 -5.367 -3.906 0.331 1.00 0.00 C ATOM 664 CD2 LEU A 47 -7.295 -4.565 1.843 1.00 0.00 C ATOM 0 H LEU A 47 -6.280 -0.244 1.958 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.260 -2.330 3.852 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.737 -2.327 2.220 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.342 -3.602 3.260 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.993 -2.674 0.924 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.905 -4.351 -0.506 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.785 -3.055 -0.022 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.698 -4.647 0.767 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -7.795 -4.997 0.976 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.711 -5.336 2.346 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.041 -4.168 2.531 1.00 0.00 H new ATOM 676 N GLU A 48 -5.359 -1.898 5.527 1.00 0.00 N ATOM 677 CA GLU A 48 -4.604 -1.400 6.664 1.00 0.00 C ATOM 678 C GLU A 48 -3.446 -2.346 6.988 1.00 0.00 C ATOM 679 O GLU A 48 -3.620 -3.316 7.724 1.00 0.00 O ATOM 680 CB GLU A 48 -5.510 -1.205 7.881 1.00 0.00 C ATOM 681 CG GLU A 48 -4.858 -0.278 8.908 1.00 0.00 C ATOM 682 CD GLU A 48 -5.878 0.195 9.946 1.00 0.00 C ATOM 683 OE1 GLU A 48 -6.624 -0.675 10.446 1.00 0.00 O ATOM 684 OE2 GLU A 48 -5.889 1.415 10.216 1.00 0.00 O ATOM 0 H GLU A 48 -5.633 -2.878 5.593 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.189 -0.427 6.402 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.466 -0.787 7.564 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.721 -2.171 8.340 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.041 -0.800 9.407 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.423 0.584 8.401 1.00 0.00 H new ATOM 691 N GLY A 49 -2.290 -2.031 6.423 1.00 0.00 N ATOM 692 CA GLY A 49 -1.104 -2.841 6.643 1.00 0.00 C ATOM 693 C GLY A 49 0.086 -1.971 7.052 1.00 0.00 C ATOM 694 O GLY A 49 -0.043 -0.754 7.176 1.00 0.00 O ATOM 0 H GLY A 49 -2.149 -1.226 5.813 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.303 -3.580 7.419 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.861 -3.391 5.734 1.00 0.00 H new ATOM 698 N THR A 50 1.219 -2.629 7.250 1.00 0.00 N ATOM 699 CA THR A 50 2.431 -1.931 7.642 1.00 0.00 C ATOM 700 C THR A 50 3.423 -1.888 6.478 1.00 0.00 C ATOM 701 O THR A 50 3.364 -2.724 5.577 1.00 0.00 O ATOM 702 CB THR A 50 2.989 -2.618 8.890 1.00 0.00 C ATOM 703 OG1 THR A 50 1.921 -2.549 9.831 1.00 0.00 O ATOM 704 CG2 THR A 50 4.116 -1.816 9.546 1.00 0.00 C ATOM 0 H THR A 50 1.323 -3.638 7.146 1.00 0.00 H new ATOM 0 HA THR A 50 2.225 -0.890 7.890 1.00 0.00 H new ATOM 0 HB THR A 50 3.356 -3.610 8.625 1.00 0.00 H new ATOM 0 HG1 THR A 50 2.090 -1.820 10.464 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.476 -2.348 10.427 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.935 -1.692 8.837 1.00 0.00 H new ATOM 0 HG23 THR A 50 3.741 -0.836 9.842 1.00 0.00 H new ATOM 712 N LEU A 51 4.310 -0.906 6.534 1.00 0.00 N ATOM 713 CA LEU A 51 5.313 -0.743 5.495 1.00 0.00 C ATOM 714 C LEU A 51 6.694 -0.618 6.141 1.00 0.00 C ATOM 715 O LEU A 51 7.550 -1.482 5.957 1.00 0.00 O ATOM 716 CB LEU A 51 4.952 0.430 4.582 1.00 0.00 C ATOM 717 CG LEU A 51 6.120 1.090 3.845 1.00 0.00 C ATOM 718 CD1 LEU A 51 6.763 0.116 2.855 1.00 0.00 C ATOM 719 CD2 LEU A 51 5.677 2.388 3.166 1.00 0.00 C ATOM 0 H LEU A 51 4.355 -0.215 7.283 1.00 0.00 H new ATOM 0 HA LEU A 51 5.341 -1.622 4.850 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.232 0.081 3.842 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.450 1.190 5.181 1.00 0.00 H new ATOM 0 HG LEU A 51 6.882 1.354 4.579 1.00 0.00 H new ATOM 0 HD11 LEU A 51 7.590 0.609 2.344 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.136 -0.756 3.393 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.021 -0.200 2.122 1.00 0.00 H new ATOM 0 HD21 LEU A 51 6.526 2.837 2.650 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.888 2.171 2.446 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.302 3.082 3.918 1.00 0.00 H new ATOM 731 N ASN A 52 6.869 0.465 6.885 1.00 0.00 N ATOM 732 CA ASN A 52 8.131 0.714 7.559 1.00 0.00 C ATOM 733 C ASN A 52 7.865 1.020 9.034 1.00 0.00 C ATOM 734 O ASN A 52 7.925 2.175 9.452 1.00 0.00 O ATOM 735 CB ASN A 52 8.853 1.917 6.949 1.00 0.00 C ATOM 736 CG ASN A 52 9.405 1.581 5.562 1.00 0.00 C ATOM 737 OD1 ASN A 52 9.632 0.432 5.218 1.00 0.00 O ATOM 738 ND2 ASN A 52 9.609 2.643 4.789 1.00 0.00 N ATOM 0 H ASN A 52 6.157 1.180 7.035 1.00 0.00 H new ATOM 0 HA ASN A 52 8.753 -0.174 7.448 1.00 0.00 H new ATOM 0 HB2 ASN A 52 8.165 2.760 6.876 1.00 0.00 H new ATOM 0 HB3 ASN A 52 9.668 2.226 7.603 1.00 0.00 H new ATOM 0 HD21 ASN A 52 9.977 2.524 3.845 1.00 0.00 H new ATOM 0 HD22 ASN A 52 9.397 3.577 5.140 1.00 0.00 H new ATOM 745 N GLY A 53 7.578 -0.036 9.782 1.00 0.00 N ATOM 746 CA GLY A 53 7.303 0.106 11.201 1.00 0.00 C ATOM 747 C GLY A 53 6.188 1.125 11.445 1.00 0.00 C ATOM 748 O GLY A 53 6.122 1.736 12.511 1.00 0.00 O ATOM 0 H GLY A 53 7.530 -0.993 9.432 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.016 -0.859 11.618 1.00 0.00 H new ATOM 0 HA3 GLY A 53 8.208 0.421 11.721 1.00 0.00 H new ATOM 752 N LYS A 54 5.339 1.277 10.439 1.00 0.00 N ATOM 753 CA LYS A 54 4.230 2.212 10.531 1.00 0.00 C ATOM 754 C LYS A 54 3.002 1.609 9.846 1.00 0.00 C ATOM 755 O LYS A 54 3.121 0.963 8.806 1.00 0.00 O ATOM 756 CB LYS A 54 4.635 3.579 9.974 1.00 0.00 C ATOM 757 CG LYS A 54 3.706 4.679 10.493 1.00 0.00 C ATOM 758 CD LYS A 54 4.144 6.053 9.982 1.00 0.00 C ATOM 759 CE LYS A 54 2.990 6.769 9.277 1.00 0.00 C ATOM 760 NZ LYS A 54 3.159 6.704 7.809 1.00 0.00 N ATOM 0 H LYS A 54 5.397 0.769 9.557 1.00 0.00 H new ATOM 0 HA LYS A 54 3.962 2.384 11.573 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.663 3.802 10.259 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.604 3.556 8.885 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.684 4.477 10.173 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.706 4.676 11.583 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.498 6.659 10.816 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.981 5.939 9.293 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.043 6.311 9.560 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.949 7.810 9.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.251 6.911 7.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.868 7.404 7.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.477 5.752 7.538 1.00 0.00 H new ATOM 774 N THR A 55 1.850 1.840 10.458 1.00 0.00 N ATOM 775 CA THR A 55 0.601 1.327 9.921 1.00 0.00 C ATOM 776 C THR A 55 -0.317 2.481 9.513 1.00 0.00 C ATOM 777 O THR A 55 -0.264 3.560 10.101 1.00 0.00 O ATOM 778 CB THR A 55 -0.018 0.399 10.968 1.00 0.00 C ATOM 779 OG1 THR A 55 0.931 -0.655 11.102 1.00 0.00 O ATOM 780 CG2 THR A 55 -1.281 -0.299 10.458 1.00 0.00 C ATOM 0 H THR A 55 1.755 2.376 11.321 1.00 0.00 H new ATOM 0 HA THR A 55 0.768 0.749 9.012 1.00 0.00 H new ATOM 0 HB THR A 55 -0.256 0.971 11.865 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.590 -1.460 10.660 1.00 0.00 H new ATOM 0 HG21 THR A 55 -1.680 -0.946 11.240 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.027 0.449 10.190 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.037 -0.898 9.581 1.00 0.00 H new ATOM 788 N GLY A 56 -1.139 2.214 8.508 1.00 0.00 N ATOM 789 CA GLY A 56 -2.068 3.216 8.014 1.00 0.00 C ATOM 790 C GLY A 56 -2.994 2.627 6.948 1.00 0.00 C ATOM 791 O GLY A 56 -3.122 1.409 6.836 1.00 0.00 O ATOM 0 H GLY A 56 -1.181 1.318 8.023 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.661 3.606 8.841 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.514 4.056 7.595 1.00 0.00 H new ATOM 795 N LEU A 57 -3.616 3.520 6.192 1.00 0.00 N ATOM 796 CA LEU A 57 -4.527 3.104 5.139 1.00 0.00 C ATOM 797 C LEU A 57 -3.732 2.840 3.858 1.00 0.00 C ATOM 798 O LEU A 57 -2.713 3.484 3.612 1.00 0.00 O ATOM 799 CB LEU A 57 -5.649 4.129 4.965 1.00 0.00 C ATOM 800 CG LEU A 57 -6.627 4.257 6.136 1.00 0.00 C ATOM 801 CD1 LEU A 57 -7.786 5.191 5.782 1.00 0.00 C ATOM 802 CD2 LEU A 57 -7.118 2.883 6.594 1.00 0.00 C ATOM 0 H LEU A 57 -3.507 4.530 6.288 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.019 2.170 5.409 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.198 5.105 4.785 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.216 3.870 4.071 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.097 4.705 6.976 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -8.466 5.265 6.631 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -7.396 6.180 5.543 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -8.323 4.794 4.920 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.811 3.003 7.427 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.626 2.384 5.768 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.268 2.281 6.914 1.00 0.00 H new ATOM 814 N ILE A 58 -4.228 1.891 3.077 1.00 0.00 N ATOM 815 CA ILE A 58 -3.577 1.534 1.828 1.00 0.00 C ATOM 816 C ILE A 58 -4.640 1.297 0.753 1.00 0.00 C ATOM 817 O ILE A 58 -5.679 0.699 1.025 1.00 0.00 O ATOM 818 CB ILE A 58 -2.636 0.346 2.035 1.00 0.00 C ATOM 819 CG1 ILE A 58 -1.569 0.667 3.084 1.00 0.00 C ATOM 820 CG2 ILE A 58 -2.019 -0.103 0.709 1.00 0.00 C ATOM 821 CD1 ILE A 58 -0.842 -0.602 3.533 1.00 0.00 C ATOM 0 H ILE A 58 -5.073 1.359 3.285 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.947 2.353 1.479 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.222 -0.490 2.417 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.850 1.375 2.672 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.033 1.148 3.945 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.354 -0.949 0.885 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.811 -0.401 0.022 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.452 0.720 0.275 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.089 -0.346 4.278 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.560 -1.298 3.967 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.358 -1.067 2.674 1.00 0.00 H new ATOM 833 N PRO A 59 -4.334 1.792 -0.476 1.00 0.00 N ATOM 834 CA PRO A 59 -5.251 1.640 -1.593 1.00 0.00 C ATOM 835 C PRO A 59 -5.232 0.206 -2.127 1.00 0.00 C ATOM 836 O PRO A 59 -4.254 -0.218 -2.740 1.00 0.00 O ATOM 837 CB PRO A 59 -4.793 2.663 -2.620 1.00 0.00 C ATOM 838 CG PRO A 59 -3.366 3.024 -2.241 1.00 0.00 C ATOM 839 CD PRO A 59 -3.112 2.507 -0.834 1.00 0.00 C ATOM 0 HA PRO A 59 -6.289 1.815 -1.312 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -4.837 2.251 -3.628 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -5.435 3.544 -2.607 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -2.661 2.580 -2.944 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -3.221 4.104 -2.283 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -2.244 1.848 -0.805 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -2.914 3.325 -0.141 1.00 0.00 H new ATOM 847 N GLU A 60 -6.324 -0.500 -1.875 1.00 0.00 N ATOM 848 CA GLU A 60 -6.445 -1.877 -2.323 1.00 0.00 C ATOM 849 C GLU A 60 -6.240 -1.962 -3.836 1.00 0.00 C ATOM 850 O GLU A 60 -5.893 -3.019 -4.361 1.00 0.00 O ATOM 851 CB GLU A 60 -7.797 -2.468 -1.918 1.00 0.00 C ATOM 852 CG GLU A 60 -8.131 -3.701 -2.760 1.00 0.00 C ATOM 853 CD GLU A 60 -9.055 -4.653 -1.998 1.00 0.00 C ATOM 854 OE1 GLU A 60 -8.512 -5.474 -1.228 1.00 0.00 O ATOM 855 OE2 GLU A 60 -10.282 -4.537 -2.202 1.00 0.00 O ATOM 0 H GLU A 60 -7.133 -0.144 -1.366 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.668 -2.467 -1.837 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.778 -2.738 -0.862 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.578 -1.717 -2.041 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.609 -3.392 -3.690 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.212 -4.220 -3.031 1.00 0.00 H new ATOM 862 N ASN A 61 -6.465 -0.836 -4.497 1.00 0.00 N ATOM 863 CA ASN A 61 -6.309 -0.770 -5.940 1.00 0.00 C ATOM 864 C ASN A 61 -4.862 -0.408 -6.276 1.00 0.00 C ATOM 865 O ASN A 61 -4.569 0.023 -7.391 1.00 0.00 O ATOM 866 CB ASN A 61 -7.218 0.302 -6.544 1.00 0.00 C ATOM 867 CG ASN A 61 -7.048 1.638 -5.816 1.00 0.00 C ATOM 868 OD1 ASN A 61 -7.514 1.832 -4.705 1.00 0.00 O ATOM 869 ND2 ASN A 61 -6.358 2.544 -6.502 1.00 0.00 N ATOM 0 H ASN A 61 -6.754 0.039 -4.059 1.00 0.00 H new ATOM 0 HA ASN A 61 -6.576 -1.743 -6.353 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -6.985 0.428 -7.601 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -8.257 -0.020 -6.482 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -6.191 3.467 -6.103 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -5.996 2.316 -7.428 1.00 0.00 H new ATOM 876 N TYR A 62 -3.994 -0.597 -5.293 1.00 0.00 N ATOM 877 CA TYR A 62 -2.584 -0.295 -5.471 1.00 0.00 C ATOM 878 C TYR A 62 -1.707 -1.369 -4.824 1.00 0.00 C ATOM 879 O TYR A 62 -0.499 -1.189 -4.686 1.00 0.00 O ATOM 880 CB TYR A 62 -2.345 1.038 -4.760 1.00 0.00 C ATOM 881 CG TYR A 62 -2.089 2.212 -5.707 1.00 0.00 C ATOM 882 CD1 TYR A 62 -3.049 2.577 -6.628 1.00 0.00 C ATOM 883 CD2 TYR A 62 -0.897 2.906 -5.640 1.00 0.00 C ATOM 884 CE1 TYR A 62 -2.808 3.682 -7.520 1.00 0.00 C ATOM 885 CE2 TYR A 62 -0.656 4.010 -6.532 1.00 0.00 C ATOM 886 CZ TYR A 62 -1.624 4.344 -7.428 1.00 0.00 C ATOM 887 OH TYR A 62 -1.396 5.387 -8.270 1.00 0.00 O ATOM 0 H TYR A 62 -4.240 -0.956 -4.370 1.00 0.00 H new ATOM 0 HA TYR A 62 -2.331 -0.255 -6.531 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -3.211 1.267 -4.140 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -1.492 0.933 -4.090 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -3.981 2.034 -6.680 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -0.146 2.621 -4.919 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -3.551 3.978 -8.246 1.00 0.00 H new ATOM 0 HE2 TYR A 62 0.272 4.561 -6.491 1.00 0.00 H new ATOM 0 HH TYR A 62 -0.510 5.765 -8.090 1.00 0.00 H new ATOM 897 N VAL A 63 -2.351 -2.463 -4.444 1.00 0.00 N ATOM 898 CA VAL A 63 -1.646 -3.567 -3.815 1.00 0.00 C ATOM 899 C VAL A 63 -2.027 -4.874 -4.512 1.00 0.00 C ATOM 900 O VAL A 63 -2.982 -4.913 -5.287 1.00 0.00 O ATOM 901 CB VAL A 63 -1.934 -3.583 -2.313 1.00 0.00 C ATOM 902 CG1 VAL A 63 -1.181 -2.460 -1.597 1.00 0.00 C ATOM 903 CG2 VAL A 63 -3.437 -3.495 -2.042 1.00 0.00 C ATOM 0 H VAL A 63 -3.354 -2.608 -4.560 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.568 -3.444 -3.924 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.576 -4.532 -1.914 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.404 -2.495 -0.531 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.109 -2.587 -1.748 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.493 -1.497 -2.002 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.614 -3.508 -0.967 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.829 -2.569 -2.463 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.940 -4.345 -2.503 1.00 0.00 H new ATOM 913 N GLU A 64 -1.262 -5.913 -4.211 1.00 0.00 N ATOM 914 CA GLU A 64 -1.508 -7.219 -4.799 1.00 0.00 C ATOM 915 C GLU A 64 -1.149 -8.325 -3.804 1.00 0.00 C ATOM 916 O GLU A 64 -0.021 -8.815 -3.796 1.00 0.00 O ATOM 917 CB GLU A 64 -0.734 -7.386 -6.108 1.00 0.00 C ATOM 918 CG GLU A 64 -0.598 -8.864 -6.480 1.00 0.00 C ATOM 919 CD GLU A 64 -0.756 -9.066 -7.988 1.00 0.00 C ATOM 920 OE1 GLU A 64 0.190 -8.691 -8.713 1.00 0.00 O ATOM 921 OE2 GLU A 64 -1.820 -9.592 -8.381 1.00 0.00 O ATOM 0 H GLU A 64 -0.471 -5.877 -3.568 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.570 -7.297 -5.031 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.246 -6.852 -6.908 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.256 -6.940 -6.009 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.375 -9.235 -6.160 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.352 -9.447 -5.950 1.00 0.00 H new ATOM 928 N PHE A 65 -2.130 -8.685 -2.989 1.00 0.00 N ATOM 929 CA PHE A 65 -1.931 -9.724 -1.993 1.00 0.00 C ATOM 930 C PHE A 65 -1.100 -10.876 -2.561 1.00 0.00 C ATOM 931 O PHE A 65 -1.383 -11.373 -3.650 1.00 0.00 O ATOM 932 CB PHE A 65 -3.317 -10.249 -1.612 1.00 0.00 C ATOM 933 CG PHE A 65 -4.082 -9.342 -0.646 1.00 0.00 C ATOM 934 CD1 PHE A 65 -3.921 -9.489 0.696 1.00 0.00 C ATOM 935 CD2 PHE A 65 -4.924 -8.390 -1.130 1.00 0.00 C ATOM 936 CE1 PHE A 65 -4.631 -8.647 1.593 1.00 0.00 C ATOM 937 CE2 PHE A 65 -5.634 -7.548 -0.234 1.00 0.00 C ATOM 938 CZ PHE A 65 -5.472 -7.695 1.109 1.00 0.00 C ATOM 0 H PHE A 65 -3.064 -8.276 -2.998 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.399 -9.318 -1.133 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -3.908 -10.377 -2.519 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -3.209 -11.235 -1.160 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.253 -10.246 1.080 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -5.053 -8.274 -2.196 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.503 -8.763 2.659 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -6.302 -6.791 -0.618 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.012 -7.055 1.791 1.00 0.00 H new ATOM 948 N LEU A 66 -0.091 -11.269 -1.797 1.00 0.00 N ATOM 949 CA LEU A 66 0.783 -12.353 -2.210 1.00 0.00 C ATOM 950 C LEU A 66 0.336 -13.649 -1.531 1.00 0.00 C ATOM 951 O LEU A 66 0.398 -13.767 -0.308 1.00 0.00 O ATOM 952 CB LEU A 66 2.246 -11.993 -1.945 1.00 0.00 C ATOM 953 CG LEU A 66 2.654 -10.556 -2.278 1.00 0.00 C ATOM 954 CD1 LEU A 66 3.293 -9.874 -1.067 1.00 0.00 C ATOM 955 CD2 LEU A 66 3.565 -10.515 -3.507 1.00 0.00 C ATOM 0 H LEU A 66 0.140 -10.855 -0.894 1.00 0.00 H new ATOM 0 HA LEU A 66 0.709 -12.514 -3.286 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.459 -12.175 -0.892 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.876 -12.671 -2.520 1.00 0.00 H new ATOM 0 HG LEU A 66 1.754 -9.994 -2.527 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.574 -8.854 -1.330 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.580 -9.853 -0.243 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.181 -10.428 -0.764 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.840 -9.482 -3.722 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.466 -11.097 -3.312 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.039 -10.936 -4.364 1.00 0.00 H new