USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 606 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 13 TYR OH : rot -30:sc= 0.913 USER MOD Set 1.2: A 34 THR OG1 : rot 175:sc= 0.554! USER MOD Single : A 0 MET CE :methyl 138:sc= -0.463 (180deg=-3.27!) USER MOD Single : A 0 MET N :NH3+ 161:sc= -6.42! (180deg=-7.69!) USER MOD Single : A 1 LYS NZ :NH3+ -137:sc= -0.0198 (180deg=-0.694) USER MOD Single : A 2 SER OG : rot 180:sc= -6.17! USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 GLN : amide:sc= -8.25! C(o=-8.2!,f=-19!) USER MOD Single : A 24 SER OG : rot -59:sc= 1.18 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0.0524 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -70:sc= 0.518 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -1.15! K(o=-1.1!,f=0.14) USER MOD Single : A 62 SER OG : rot 180:sc= 0.0132 USER MOD Single : A 67 GLN : amide:sc= -0.249 X(o=-0.25,f=-0.18) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot -39:sc= -1.78! USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 2.972 3.631 5.738 1.00 0.00 N ATOM 2 CA MET A 0 3.860 4.093 6.841 1.00 0.00 C ATOM 3 C MET A 0 5.226 4.480 6.269 1.00 0.00 C ATOM 4 O MET A 0 5.777 3.793 5.432 1.00 0.00 O ATOM 5 CB MET A 0 4.035 2.968 7.864 1.00 0.00 C ATOM 6 CG MET A 0 4.519 3.557 9.189 1.00 0.00 C ATOM 7 SD MET A 0 4.998 2.216 10.308 1.00 0.00 S ATOM 8 CE MET A 0 4.977 3.183 11.839 1.00 0.00 C ATOM 0 H1 MET A 0 2.186 3.077 6.134 1.00 0.00 H new ATOM 0 H2 MET A 0 2.593 4.455 5.229 1.00 0.00 H new ATOM 0 H3 MET A 0 3.516 3.038 5.080 1.00 0.00 H new ATOM 0 HA MET A 0 3.411 4.959 7.328 1.00 0.00 H new ATOM 0 HB2 MET A 0 3.090 2.444 8.010 1.00 0.00 H new ATOM 0 HB3 MET A 0 4.753 2.235 7.496 1.00 0.00 H new ATOM 0 HG2 MET A 0 5.366 4.221 9.016 1.00 0.00 H new ATOM 0 HG3 MET A 0 3.730 4.158 9.641 1.00 0.00 H new ATOM 0 HE1 MET A 0 4.515 2.597 12.633 1.00 0.00 H new ATOM 0 HE2 MET A 0 5.998 3.437 12.123 1.00 0.00 H new ATOM 0 HE3 MET A 0 4.405 4.098 11.684 1.00 0.00 H new ATOM 18 N LYS A 1 5.774 5.578 6.714 1.00 0.00 N ATOM 19 CA LYS A 1 7.102 6.013 6.198 1.00 0.00 C ATOM 20 C LYS A 1 7.533 7.291 6.917 1.00 0.00 C ATOM 21 O LYS A 1 6.774 8.234 7.023 1.00 0.00 O ATOM 22 CB LYS A 1 7.002 6.319 4.701 1.00 0.00 C ATOM 23 CG LYS A 1 8.406 6.520 4.129 1.00 0.00 C ATOM 24 CD LYS A 1 8.740 8.012 4.098 1.00 0.00 C ATOM 25 CE LYS A 1 10.205 8.213 4.486 1.00 0.00 C ATOM 26 NZ LYS A 1 10.996 8.562 3.273 1.00 0.00 N ATOM 0 H LYS A 1 5.358 6.193 7.414 1.00 0.00 H new ATOM 0 HA LYS A 1 7.825 5.216 6.370 1.00 0.00 H new ATOM 0 HB2 LYS A 1 6.500 5.501 4.184 1.00 0.00 H new ATOM 0 HB3 LYS A 1 6.400 7.214 4.541 1.00 0.00 H new ATOM 0 HG2 LYS A 1 9.137 5.986 4.737 1.00 0.00 H new ATOM 0 HG3 LYS A 1 8.463 6.104 3.123 1.00 0.00 H new ATOM 0 HD2 LYS A 1 8.557 8.416 3.102 1.00 0.00 H new ATOM 0 HD3 LYS A 1 8.092 8.555 4.786 1.00 0.00 H new ATOM 0 HE2 LYS A 1 10.290 9.006 5.229 1.00 0.00 H new ATOM 0 HE3 LYS A 1 10.600 7.305 4.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 11.893 8.035 3.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 10.454 8.312 2.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 11.195 9.583 3.270 1.00 0.00 H new ATOM 40 N SER A 2 8.763 7.363 7.348 1.00 0.00 N ATOM 41 CA SER A 2 9.245 8.629 7.993 1.00 0.00 C ATOM 42 C SER A 2 10.631 8.368 8.622 1.00 0.00 C ATOM 43 O SER A 2 11.594 8.949 8.163 1.00 0.00 O ATOM 44 CB SER A 2 8.244 9.185 9.034 1.00 0.00 C ATOM 45 OG SER A 2 8.763 9.068 10.347 1.00 0.00 O ATOM 0 H SER A 2 9.451 6.613 7.285 1.00 0.00 H new ATOM 0 HA SER A 2 9.328 9.400 7.227 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.029 10.231 8.815 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.300 8.644 8.962 1.00 0.00 H new ATOM 0 HG SER A 2 8.115 9.427 10.988 1.00 0.00 H new ATOM 51 N PRO A 3 10.751 7.492 9.622 1.00 0.00 N ATOM 52 CA PRO A 3 12.078 7.208 10.201 1.00 0.00 C ATOM 53 C PRO A 3 12.755 6.131 9.347 1.00 0.00 C ATOM 54 O PRO A 3 13.741 6.356 8.672 1.00 0.00 O ATOM 55 CB PRO A 3 11.773 6.630 11.584 1.00 0.00 C ATOM 56 CG PRO A 3 10.287 6.191 11.575 1.00 0.00 C ATOM 57 CD PRO A 3 9.651 6.728 10.281 1.00 0.00 C ATOM 0 HA PRO A 3 12.726 8.084 10.246 1.00 0.00 H new ATOM 0 HB2 PRO A 3 12.424 5.783 11.800 1.00 0.00 H new ATOM 0 HB3 PRO A 3 11.950 7.374 12.360 1.00 0.00 H new ATOM 0 HG2 PRO A 3 10.208 5.105 11.618 1.00 0.00 H new ATOM 0 HG3 PRO A 3 9.767 6.583 12.449 1.00 0.00 H new ATOM 0 HD2 PRO A 3 9.294 5.917 9.646 1.00 0.00 H new ATOM 0 HD3 PRO A 3 8.794 7.367 10.494 1.00 0.00 H new ATOM 65 N GLU A 4 12.190 4.959 9.387 1.00 0.00 N ATOM 66 CA GLU A 4 12.702 3.798 8.611 1.00 0.00 C ATOM 67 C GLU A 4 11.699 2.672 8.823 1.00 0.00 C ATOM 68 O GLU A 4 12.025 1.587 9.265 1.00 0.00 O ATOM 69 CB GLU A 4 14.084 3.384 9.127 1.00 0.00 C ATOM 70 CG GLU A 4 14.112 3.480 10.653 1.00 0.00 C ATOM 71 CD GLU A 4 15.557 3.360 11.142 1.00 0.00 C ATOM 72 OE1 GLU A 4 16.346 2.738 10.449 1.00 0.00 O ATOM 73 OE2 GLU A 4 15.850 3.893 12.200 1.00 0.00 O ATOM 0 H GLU A 4 11.363 4.751 9.947 1.00 0.00 H new ATOM 0 HA GLU A 4 12.809 4.041 7.554 1.00 0.00 H new ATOM 0 HB2 GLU A 4 14.311 2.365 8.812 1.00 0.00 H new ATOM 0 HB3 GLU A 4 14.851 4.028 8.698 1.00 0.00 H new ATOM 0 HG2 GLU A 4 13.684 4.429 10.977 1.00 0.00 H new ATOM 0 HG3 GLU A 4 13.502 2.690 11.090 1.00 0.00 H new ATOM 80 N GLU A 5 10.462 2.956 8.522 1.00 0.00 N ATOM 81 CA GLU A 5 9.374 1.965 8.701 1.00 0.00 C ATOM 82 C GLU A 5 8.629 1.807 7.380 1.00 0.00 C ATOM 83 O GLU A 5 7.704 1.028 7.259 1.00 0.00 O ATOM 84 CB GLU A 5 8.419 2.475 9.759 1.00 0.00 C ATOM 85 CG GLU A 5 8.293 1.442 10.882 1.00 0.00 C ATOM 86 CD GLU A 5 8.998 1.962 12.136 1.00 0.00 C ATOM 87 OE1 GLU A 5 10.181 1.699 12.279 1.00 0.00 O ATOM 88 OE2 GLU A 5 8.344 2.615 12.932 1.00 0.00 O ATOM 0 H GLU A 5 10.157 3.856 8.151 1.00 0.00 H new ATOM 0 HA GLU A 5 9.785 1.003 9.008 1.00 0.00 H new ATOM 0 HB2 GLU A 5 8.779 3.422 10.162 1.00 0.00 H new ATOM 0 HB3 GLU A 5 7.441 2.668 9.318 1.00 0.00 H new ATOM 0 HG2 GLU A 5 7.242 1.249 11.097 1.00 0.00 H new ATOM 0 HG3 GLU A 5 8.734 0.495 10.570 1.00 0.00 H new ATOM 95 N LEU A 6 9.049 2.529 6.380 1.00 0.00 N ATOM 96 CA LEU A 6 8.405 2.419 5.059 1.00 0.00 C ATOM 97 C LEU A 6 8.860 1.116 4.417 1.00 0.00 C ATOM 98 O LEU A 6 8.086 0.412 3.802 1.00 0.00 O ATOM 99 CB LEU A 6 8.765 3.653 4.225 1.00 0.00 C ATOM 100 CG LEU A 6 9.220 3.268 2.829 1.00 0.00 C ATOM 101 CD1 LEU A 6 8.017 2.837 1.985 1.00 0.00 C ATOM 102 CD2 LEU A 6 9.914 4.470 2.190 1.00 0.00 C ATOM 0 H LEU A 6 9.820 3.195 6.430 1.00 0.00 H new ATOM 0 HA LEU A 6 7.318 2.392 5.137 1.00 0.00 H new ATOM 0 HB2 LEU A 6 7.900 4.313 4.158 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.555 4.213 4.725 1.00 0.00 H new ATOM 0 HG LEU A 6 9.916 2.431 2.884 1.00 0.00 H new ATOM 0 HD11 LEU A 6 8.354 2.563 0.985 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.533 1.980 2.453 1.00 0.00 H new ATOM 0 HD13 LEU A 6 7.307 3.661 1.915 1.00 0.00 H new ATOM 0 HD21 LEU A 6 10.246 4.207 1.186 1.00 0.00 H new ATOM 0 HD22 LEU A 6 9.216 5.306 2.134 1.00 0.00 H new ATOM 0 HD23 LEU A 6 10.775 4.756 2.794 1.00 0.00 H new ATOM 114 N LYS A 7 10.101 0.772 4.582 1.00 0.00 N ATOM 115 CA LYS A 7 10.562 -0.515 3.998 1.00 0.00 C ATOM 116 C LYS A 7 10.034 -1.653 4.875 1.00 0.00 C ATOM 117 O LYS A 7 10.200 -2.817 4.569 1.00 0.00 O ATOM 118 CB LYS A 7 12.089 -0.570 3.939 1.00 0.00 C ATOM 119 CG LYS A 7 12.506 -1.479 2.778 1.00 0.00 C ATOM 120 CD LYS A 7 14.033 -1.555 2.708 1.00 0.00 C ATOM 121 CE LYS A 7 14.472 -1.704 1.251 1.00 0.00 C ATOM 122 NZ LYS A 7 15.222 -2.981 1.087 1.00 0.00 N ATOM 0 H LYS A 7 10.805 1.312 5.085 1.00 0.00 H new ATOM 0 HA LYS A 7 10.185 -0.610 2.980 1.00 0.00 H new ATOM 0 HB2 LYS A 7 12.498 0.431 3.800 1.00 0.00 H new ATOM 0 HB3 LYS A 7 12.490 -0.950 4.879 1.00 0.00 H new ATOM 0 HG2 LYS A 7 12.088 -2.476 2.916 1.00 0.00 H new ATOM 0 HG3 LYS A 7 12.108 -1.093 1.840 1.00 0.00 H new ATOM 0 HD2 LYS A 7 14.472 -0.656 3.141 1.00 0.00 H new ATOM 0 HD3 LYS A 7 14.393 -2.400 3.295 1.00 0.00 H new ATOM 0 HE2 LYS A 7 13.602 -1.694 0.595 1.00 0.00 H new ATOM 0 HE3 LYS A 7 15.100 -0.861 0.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 15.521 -3.083 0.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 16.060 -2.973 1.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 14.609 -3.780 1.348 1.00 0.00 H new ATOM 136 N GLY A 8 9.384 -1.321 5.962 1.00 0.00 N ATOM 137 CA GLY A 8 8.829 -2.372 6.854 1.00 0.00 C ATOM 138 C GLY A 8 7.406 -2.701 6.406 1.00 0.00 C ATOM 139 O GLY A 8 7.029 -3.851 6.311 1.00 0.00 O ATOM 0 H GLY A 8 9.216 -0.362 6.267 1.00 0.00 H new ATOM 0 HA2 GLY A 8 9.452 -3.266 6.817 1.00 0.00 H new ATOM 0 HA3 GLY A 8 8.828 -2.027 7.888 1.00 0.00 H new ATOM 143 N ILE A 9 6.610 -1.702 6.120 1.00 0.00 N ATOM 144 CA ILE A 9 5.219 -1.977 5.669 1.00 0.00 C ATOM 145 C ILE A 9 5.265 -3.065 4.606 1.00 0.00 C ATOM 146 O ILE A 9 4.617 -4.078 4.713 1.00 0.00 O ATOM 147 CB ILE A 9 4.591 -0.700 5.108 1.00 0.00 C ATOM 148 CG1 ILE A 9 3.076 -0.847 5.086 1.00 0.00 C ATOM 149 CG2 ILE A 9 5.079 -0.416 3.694 1.00 0.00 C ATOM 150 CD1 ILE A 9 2.486 -0.175 6.327 1.00 0.00 C ATOM 0 H ILE A 9 6.864 -0.716 6.180 1.00 0.00 H new ATOM 0 HA ILE A 9 4.609 -2.312 6.508 1.00 0.00 H new ATOM 0 HB ILE A 9 4.885 0.130 5.750 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.668 -0.392 4.183 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.802 -1.902 5.064 1.00 0.00 H new ATOM 0 HG21 ILE A 9 4.614 0.498 3.325 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.162 -0.295 3.700 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.811 -1.248 3.043 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.401 -0.278 6.315 1.00 0.00 H new ATOM 0 HD12 ILE A 9 2.886 -0.650 7.223 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.750 0.883 6.328 1.00 0.00 H new ATOM 162 N PHE A 10 6.065 -2.889 3.602 1.00 0.00 N ATOM 163 CA PHE A 10 6.183 -3.947 2.570 1.00 0.00 C ATOM 164 C PHE A 10 6.351 -5.345 3.187 1.00 0.00 C ATOM 165 O PHE A 10 5.416 -6.099 3.319 1.00 0.00 O ATOM 166 CB PHE A 10 7.361 -3.648 1.638 1.00 0.00 C ATOM 167 CG PHE A 10 6.919 -3.483 0.216 1.00 0.00 C ATOM 168 CD1 PHE A 10 5.634 -3.058 -0.137 1.00 0.00 C ATOM 169 CD2 PHE A 10 7.822 -3.883 -0.764 1.00 0.00 C ATOM 170 CE1 PHE A 10 5.265 -3.043 -1.493 1.00 0.00 C ATOM 171 CE2 PHE A 10 7.468 -3.851 -2.100 1.00 0.00 C ATOM 172 CZ PHE A 10 6.193 -3.442 -2.473 1.00 0.00 C ATOM 0 H PHE A 10 6.642 -2.062 3.450 1.00 0.00 H new ATOM 0 HA PHE A 10 5.253 -3.946 2.001 1.00 0.00 H new ATOM 0 HB2 PHE A 10 7.865 -2.740 1.969 1.00 0.00 H new ATOM 0 HB3 PHE A 10 8.088 -4.457 1.701 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.934 -2.745 0.623 1.00 0.00 H new ATOM 0 HD2 PHE A 10 8.807 -4.221 -0.479 1.00 0.00 H new ATOM 0 HE1 PHE A 10 4.274 -2.727 -1.782 1.00 0.00 H new ATOM 0 HE2 PHE A 10 8.183 -4.144 -2.855 1.00 0.00 H new ATOM 0 HZ PHE A 10 5.914 -3.430 -3.516 1.00 0.00 H new ATOM 182 N GLU A 11 7.541 -5.702 3.549 1.00 0.00 N ATOM 183 CA GLU A 11 7.789 -7.057 4.140 1.00 0.00 C ATOM 184 C GLU A 11 6.679 -7.426 5.137 1.00 0.00 C ATOM 185 O GLU A 11 6.469 -8.582 5.448 1.00 0.00 O ATOM 186 CB GLU A 11 9.134 -7.051 4.871 1.00 0.00 C ATOM 187 CG GLU A 11 10.274 -7.086 3.851 1.00 0.00 C ATOM 188 CD GLU A 11 11.612 -6.907 4.573 1.00 0.00 C ATOM 189 OE1 GLU A 11 11.723 -5.972 5.348 1.00 0.00 O ATOM 190 OE2 GLU A 11 12.501 -7.708 4.338 1.00 0.00 O ATOM 0 H GLU A 11 8.370 -5.114 3.464 1.00 0.00 H new ATOM 0 HA GLU A 11 7.799 -7.792 3.335 1.00 0.00 H new ATOM 0 HB2 GLU A 11 9.217 -6.160 5.493 1.00 0.00 H new ATOM 0 HB3 GLU A 11 9.201 -7.912 5.536 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.264 -8.033 3.311 1.00 0.00 H new ATOM 0 HG3 GLU A 11 10.139 -6.296 3.112 1.00 0.00 H new ATOM 197 N LYS A 12 5.976 -6.456 5.640 1.00 0.00 N ATOM 198 CA LYS A 12 4.882 -6.737 6.619 1.00 0.00 C ATOM 199 C LYS A 12 3.605 -7.129 5.871 1.00 0.00 C ATOM 200 O LYS A 12 3.264 -8.291 5.767 1.00 0.00 O ATOM 201 CB LYS A 12 4.623 -5.488 7.466 1.00 0.00 C ATOM 202 CG LYS A 12 3.572 -5.804 8.531 1.00 0.00 C ATOM 203 CD LYS A 12 4.249 -5.904 9.899 1.00 0.00 C ATOM 204 CE LYS A 12 3.331 -5.307 10.967 1.00 0.00 C ATOM 205 NZ LYS A 12 4.149 -4.836 12.120 1.00 0.00 N ATOM 0 H LYS A 12 6.109 -5.470 5.416 1.00 0.00 H new ATOM 0 HA LYS A 12 5.181 -7.560 7.269 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.548 -5.158 7.939 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.280 -4.670 6.832 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.809 -5.026 8.547 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.068 -6.741 8.293 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.468 -6.946 10.133 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.201 -5.374 9.885 1.00 0.00 H new ATOM 0 HE2 LYS A 12 2.761 -4.477 10.549 1.00 0.00 H new ATOM 0 HE3 LYS A 12 2.610 -6.053 11.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 3.525 -4.430 12.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 4.674 -5.638 12.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 4.820 -4.111 11.796 1.00 0.00 H new ATOM 219 N TYR A 13 2.899 -6.162 5.347 1.00 0.00 N ATOM 220 CA TYR A 13 1.647 -6.458 4.602 1.00 0.00 C ATOM 221 C TYR A 13 2.010 -6.950 3.202 1.00 0.00 C ATOM 222 O TYR A 13 1.384 -7.846 2.674 1.00 0.00 O ATOM 223 CB TYR A 13 0.795 -5.190 4.497 1.00 0.00 C ATOM 224 CG TYR A 13 0.665 -4.552 5.859 1.00 0.00 C ATOM 225 CD1 TYR A 13 1.685 -3.727 6.342 1.00 0.00 C ATOM 226 CD2 TYR A 13 -0.478 -4.780 6.637 1.00 0.00 C ATOM 227 CE1 TYR A 13 1.569 -3.133 7.602 1.00 0.00 C ATOM 228 CE2 TYR A 13 -0.593 -4.184 7.900 1.00 0.00 C ATOM 229 CZ TYR A 13 0.431 -3.360 8.381 1.00 0.00 C ATOM 230 OH TYR A 13 0.323 -2.777 9.625 1.00 0.00 O ATOM 0 H TYR A 13 3.141 -5.173 5.405 1.00 0.00 H new ATOM 0 HA TYR A 13 1.078 -7.225 5.128 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.252 -4.489 3.798 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -0.192 -5.434 4.103 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.564 -3.548 5.741 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.269 -5.414 6.264 1.00 0.00 H new ATOM 0 HE1 TYR A 13 2.360 -2.498 7.974 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.472 -4.361 8.502 1.00 0.00 H new ATOM 0 HH TYR A 13 1.216 -2.663 10.012 1.00 0.00 H new ATOM 240 N ALA A 14 3.031 -6.398 2.593 1.00 0.00 N ATOM 241 CA ALA A 14 3.408 -6.900 1.246 1.00 0.00 C ATOM 242 C ALA A 14 3.704 -8.394 1.387 1.00 0.00 C ATOM 243 O ALA A 14 3.693 -9.136 0.428 1.00 0.00 O ATOM 244 CB ALA A 14 4.666 -6.168 0.728 1.00 0.00 C ATOM 0 H ALA A 14 3.604 -5.640 2.963 1.00 0.00 H new ATOM 0 HA ALA A 14 2.600 -6.723 0.536 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.928 -6.548 -0.259 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.464 -5.099 0.663 1.00 0.00 H new ATOM 0 HB3 ALA A 14 5.495 -6.340 1.414 1.00 0.00 H new ATOM 250 N ASP A 15 3.976 -8.833 2.596 1.00 0.00 N ATOM 251 CA ASP A 15 4.294 -10.268 2.827 1.00 0.00 C ATOM 252 C ASP A 15 3.013 -11.024 3.202 1.00 0.00 C ATOM 253 O ASP A 15 2.914 -12.222 3.019 1.00 0.00 O ATOM 254 CB ASP A 15 5.311 -10.408 3.971 1.00 0.00 C ATOM 255 CG ASP A 15 5.764 -11.867 4.067 1.00 0.00 C ATOM 256 OD1 ASP A 15 5.385 -12.641 3.204 1.00 0.00 O ATOM 257 OD2 ASP A 15 6.481 -12.184 5.002 1.00 0.00 O ATOM 0 H ASP A 15 3.990 -8.250 3.433 1.00 0.00 H new ATOM 0 HA ASP A 15 4.718 -10.685 1.914 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.169 -9.760 3.792 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.863 -10.091 4.913 1.00 0.00 H new ATOM 262 N LYS A 16 2.031 -10.332 3.730 1.00 0.00 N ATOM 263 CA LYS A 16 0.762 -11.004 4.119 1.00 0.00 C ATOM 264 C LYS A 16 0.367 -11.993 3.032 1.00 0.00 C ATOM 265 O LYS A 16 -0.023 -13.113 3.301 1.00 0.00 O ATOM 266 CB LYS A 16 -0.337 -9.950 4.266 1.00 0.00 C ATOM 267 CG LYS A 16 -1.000 -10.090 5.635 1.00 0.00 C ATOM 268 CD LYS A 16 -0.477 -8.997 6.567 1.00 0.00 C ATOM 269 CE LYS A 16 -0.548 -9.482 8.013 1.00 0.00 C ATOM 270 NZ LYS A 16 0.819 -9.838 8.485 1.00 0.00 N ATOM 0 H LYS A 16 2.059 -9.328 3.907 1.00 0.00 H new ATOM 0 HA LYS A 16 0.896 -11.531 5.064 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.086 -8.951 4.156 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.079 -10.071 3.477 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.083 -10.012 5.537 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.788 -11.073 6.055 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.551 -8.744 6.307 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.068 -8.089 6.448 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.973 -8.705 8.648 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.206 -10.348 8.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.771 -10.168 9.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.208 -10.593 7.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.434 -9.001 8.430 1.00 0.00 H new ATOM 284 N GLU A 17 0.470 -11.586 1.802 1.00 0.00 N ATOM 285 CA GLU A 17 0.108 -12.496 0.678 1.00 0.00 C ATOM 286 C GLU A 17 0.785 -12.010 -0.602 1.00 0.00 C ATOM 287 O GLU A 17 0.356 -12.314 -1.697 1.00 0.00 O ATOM 288 CB GLU A 17 -1.406 -12.508 0.473 1.00 0.00 C ATOM 289 CG GLU A 17 -2.127 -12.337 1.814 1.00 0.00 C ATOM 290 CD GLU A 17 -3.633 -12.215 1.571 1.00 0.00 C ATOM 291 OE1 GLU A 17 -4.035 -12.299 0.422 1.00 0.00 O ATOM 292 OE2 GLU A 17 -4.357 -12.038 2.537 1.00 0.00 O ATOM 0 H GLU A 17 0.790 -10.659 1.522 1.00 0.00 H new ATOM 0 HA GLU A 17 0.442 -13.506 0.917 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.694 -11.706 -0.207 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.709 -13.445 0.007 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.920 -13.189 2.462 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.757 -11.449 2.327 1.00 0.00 H new ATOM 299 N GLY A 18 1.841 -11.254 -0.473 1.00 0.00 N ATOM 300 CA GLY A 18 2.543 -10.747 -1.682 1.00 0.00 C ATOM 301 C GLY A 18 4.052 -10.921 -1.508 1.00 0.00 C ATOM 302 O GLY A 18 4.832 -10.249 -2.153 1.00 0.00 O ATOM 0 H GLY A 18 2.246 -10.967 0.418 1.00 0.00 H new ATOM 0 HA2 GLY A 18 2.204 -11.287 -2.566 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.304 -9.695 -1.840 1.00 0.00 H new ATOM 306 N ASP A 19 4.463 -11.829 -0.651 1.00 0.00 N ATOM 307 CA ASP A 19 5.919 -12.073 -0.430 1.00 0.00 C ATOM 308 C ASP A 19 6.511 -11.051 0.541 1.00 0.00 C ATOM 309 O ASP A 19 7.321 -11.369 1.387 1.00 0.00 O ATOM 310 CB ASP A 19 6.642 -11.954 -1.761 1.00 0.00 C ATOM 311 CG ASP A 19 7.978 -12.694 -1.698 1.00 0.00 C ATOM 312 OD1 ASP A 19 8.846 -12.245 -0.968 1.00 0.00 O ATOM 313 OD2 ASP A 19 8.111 -13.697 -2.379 1.00 0.00 O ATOM 0 H ASP A 19 3.842 -12.415 -0.092 1.00 0.00 H new ATOM 0 HA ASP A 19 6.042 -13.069 -0.004 1.00 0.00 H new ATOM 0 HB2 ASP A 19 6.025 -12.368 -2.558 1.00 0.00 H new ATOM 0 HB3 ASP A 19 6.809 -10.904 -2.001 1.00 0.00 H new ATOM 318 N GLY A 20 6.135 -9.825 0.389 1.00 0.00 N ATOM 319 CA GLY A 20 6.681 -8.737 1.246 1.00 0.00 C ATOM 320 C GLY A 20 7.329 -7.720 0.318 1.00 0.00 C ATOM 321 O GLY A 20 7.551 -6.580 0.676 1.00 0.00 O ATOM 0 H GLY A 20 5.457 -9.517 -0.307 1.00 0.00 H new ATOM 0 HA2 GLY A 20 5.888 -8.273 1.832 1.00 0.00 H new ATOM 0 HA3 GLY A 20 7.410 -9.133 1.953 1.00 0.00 H new ATOM 325 N ASN A 21 7.632 -8.130 -0.887 1.00 0.00 N ATOM 326 CA ASN A 21 8.257 -7.210 -1.855 1.00 0.00 C ATOM 327 C ASN A 21 7.202 -6.662 -2.841 1.00 0.00 C ATOM 328 O ASN A 21 7.504 -5.868 -3.706 1.00 0.00 O ATOM 329 CB ASN A 21 9.335 -7.979 -2.612 1.00 0.00 C ATOM 330 CG ASN A 21 10.644 -7.914 -1.829 1.00 0.00 C ATOM 331 OD1 ASN A 21 11.431 -7.005 -2.012 1.00 0.00 O ATOM 332 ND2 ASN A 21 10.907 -8.845 -0.955 1.00 0.00 N ATOM 0 H ASN A 21 7.467 -9.074 -1.235 1.00 0.00 H new ATOM 0 HA ASN A 21 8.696 -6.361 -1.330 1.00 0.00 H new ATOM 0 HB2 ASN A 21 9.030 -9.017 -2.748 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.471 -7.554 -3.606 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.776 -8.813 -0.421 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.244 -9.605 -0.805 1.00 0.00 H new ATOM 339 N GLN A 22 5.969 -7.073 -2.705 1.00 0.00 N ATOM 340 CA GLN A 22 4.882 -6.575 -3.604 1.00 0.00 C ATOM 341 C GLN A 22 3.583 -6.497 -2.791 1.00 0.00 C ATOM 342 O GLN A 22 3.469 -7.081 -1.734 1.00 0.00 O ATOM 343 CB GLN A 22 4.698 -7.514 -4.801 1.00 0.00 C ATOM 344 CG GLN A 22 6.041 -8.140 -5.191 1.00 0.00 C ATOM 345 CD GLN A 22 6.256 -9.423 -4.387 1.00 0.00 C ATOM 346 OE1 GLN A 22 7.146 -9.494 -3.563 1.00 0.00 O ATOM 347 NE2 GLN A 22 5.470 -10.445 -4.592 1.00 0.00 N ATOM 0 H GLN A 22 5.663 -7.743 -1.999 1.00 0.00 H new ATOM 0 HA GLN A 22 5.146 -5.590 -3.989 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.982 -8.297 -4.552 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.286 -6.962 -5.646 1.00 0.00 H new ATOM 0 HG2 GLN A 22 6.056 -8.360 -6.258 1.00 0.00 H new ATOM 0 HG3 GLN A 22 6.852 -7.437 -4.999 1.00 0.00 H new ATOM 0 HE21 GLN A 22 4.723 -10.383 -5.284 1.00 0.00 H new ATOM 0 HE22 GLN A 22 5.602 -11.305 -4.060 1.00 0.00 H new ATOM 356 N LEU A 23 2.622 -5.743 -3.248 1.00 0.00 N ATOM 357 CA LEU A 23 1.366 -5.589 -2.466 1.00 0.00 C ATOM 358 C LEU A 23 0.121 -5.827 -3.323 1.00 0.00 C ATOM 359 O LEU A 23 0.198 -6.254 -4.451 1.00 0.00 O ATOM 360 CB LEU A 23 1.344 -4.163 -1.925 1.00 0.00 C ATOM 361 CG LEU A 23 1.874 -4.190 -0.505 1.00 0.00 C ATOM 362 CD1 LEU A 23 2.067 -2.761 -0.003 1.00 0.00 C ATOM 363 CD2 LEU A 23 0.876 -4.924 0.393 1.00 0.00 C ATOM 0 H LEU A 23 2.653 -5.228 -4.128 1.00 0.00 H new ATOM 0 HA LEU A 23 1.348 -6.329 -1.666 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.956 -3.510 -2.547 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.330 -3.764 -1.945 1.00 0.00 H new ATOM 0 HG LEU A 23 2.832 -4.709 -0.482 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.448 -2.782 1.018 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.779 -2.243 -0.645 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.112 -2.236 -0.023 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.254 -4.945 1.415 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.083 -4.406 0.371 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.745 -5.944 0.033 1.00 0.00 H new ATOM 375 N SER A 24 -1.028 -5.540 -2.766 1.00 0.00 N ATOM 376 CA SER A 24 -2.303 -5.706 -3.465 1.00 0.00 C ATOM 377 C SER A 24 -3.291 -4.764 -2.753 1.00 0.00 C ATOM 378 O SER A 24 -3.012 -4.287 -1.672 1.00 0.00 O ATOM 379 CB SER A 24 -2.759 -7.159 -3.334 1.00 0.00 C ATOM 380 OG SER A 24 -2.137 -7.943 -4.344 1.00 0.00 O ATOM 0 H SER A 24 -1.119 -5.184 -1.815 1.00 0.00 H new ATOM 0 HA SER A 24 -2.232 -5.473 -4.527 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.501 -7.545 -2.348 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.843 -7.221 -3.426 1.00 0.00 H new ATOM 0 HG SER A 24 -2.376 -7.590 -5.226 1.00 0.00 H new ATOM 386 N LYS A 25 -4.422 -4.478 -3.323 1.00 0.00 N ATOM 387 CA LYS A 25 -5.380 -3.560 -2.642 1.00 0.00 C ATOM 388 C LYS A 25 -5.905 -4.219 -1.368 1.00 0.00 C ATOM 389 O LYS A 25 -6.338 -3.557 -0.446 1.00 0.00 O ATOM 390 CB LYS A 25 -6.554 -3.259 -3.568 1.00 0.00 C ATOM 391 CG LYS A 25 -7.134 -1.883 -3.220 1.00 0.00 C ATOM 392 CD LYS A 25 -7.876 -1.305 -4.429 1.00 0.00 C ATOM 393 CE LYS A 25 -9.070 -2.192 -4.775 1.00 0.00 C ATOM 394 NZ LYS A 25 -10.332 -1.452 -4.496 1.00 0.00 N ATOM 0 H LYS A 25 -4.728 -4.836 -4.228 1.00 0.00 H new ATOM 0 HA LYS A 25 -4.866 -2.632 -2.391 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.226 -3.276 -4.607 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.321 -4.027 -3.463 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -7.815 -1.970 -2.373 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.333 -1.208 -2.918 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -8.215 -0.293 -4.209 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.202 -1.237 -5.283 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -9.030 -2.482 -5.825 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -9.037 -3.111 -4.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -11.147 -2.054 -4.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.369 -1.197 -3.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -10.363 -0.588 -5.074 1.00 0.00 H new ATOM 408 N GLU A 26 -5.878 -5.520 -1.314 1.00 0.00 N ATOM 409 CA GLU A 26 -6.384 -6.226 -0.103 1.00 0.00 C ATOM 410 C GLU A 26 -5.374 -6.100 1.043 1.00 0.00 C ATOM 411 O GLU A 26 -5.592 -6.608 2.126 1.00 0.00 O ATOM 412 CB GLU A 26 -6.597 -7.707 -0.428 1.00 0.00 C ATOM 413 CG GLU A 26 -7.928 -7.887 -1.160 1.00 0.00 C ATOM 414 CD GLU A 26 -7.742 -7.579 -2.647 1.00 0.00 C ATOM 415 OE1 GLU A 26 -6.674 -7.868 -3.163 1.00 0.00 O ATOM 416 OE2 GLU A 26 -8.668 -7.059 -3.245 1.00 0.00 O ATOM 0 H GLU A 26 -5.528 -6.126 -2.056 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.328 -5.774 0.201 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.778 -8.075 -1.046 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.593 -8.295 0.490 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.290 -8.907 -1.032 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -8.682 -7.226 -0.733 1.00 0.00 H new ATOM 423 N GLU A 27 -4.270 -5.440 0.821 1.00 0.00 N ATOM 424 CA GLU A 27 -3.260 -5.309 1.914 1.00 0.00 C ATOM 425 C GLU A 27 -2.788 -3.859 2.043 1.00 0.00 C ATOM 426 O GLU A 27 -1.884 -3.562 2.798 1.00 0.00 O ATOM 427 CB GLU A 27 -2.063 -6.210 1.612 1.00 0.00 C ATOM 428 CG GLU A 27 -2.559 -7.598 1.209 1.00 0.00 C ATOM 429 CD GLU A 27 -1.396 -8.414 0.643 1.00 0.00 C ATOM 430 OE1 GLU A 27 -0.264 -8.107 0.979 1.00 0.00 O ATOM 431 OE2 GLU A 27 -1.656 -9.330 -0.119 1.00 0.00 O ATOM 0 H GLU A 27 -4.023 -4.989 -0.060 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.722 -5.610 2.854 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.463 -5.779 0.810 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.419 -6.283 2.488 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.987 -8.107 2.072 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.351 -7.510 0.465 1.00 0.00 H new ATOM 438 N LEU A 28 -3.404 -2.948 1.347 1.00 0.00 N ATOM 439 CA LEU A 28 -3.004 -1.531 1.468 1.00 0.00 C ATOM 440 C LEU A 28 -3.850 -0.956 2.603 1.00 0.00 C ATOM 441 O LEU A 28 -3.407 -0.156 3.402 1.00 0.00 O ATOM 442 CB LEU A 28 -3.275 -0.842 0.124 1.00 0.00 C ATOM 443 CG LEU A 28 -3.956 0.512 0.324 1.00 0.00 C ATOM 444 CD1 LEU A 28 -3.023 1.454 1.089 1.00 0.00 C ATOM 445 CD2 LEU A 28 -4.288 1.123 -1.042 1.00 0.00 C ATOM 0 H LEU A 28 -4.170 -3.129 0.698 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.947 -1.390 1.695 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.336 -0.704 -0.413 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.905 -1.481 -0.495 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.873 0.372 0.895 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.513 2.417 1.229 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.788 1.022 2.062 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.103 1.594 0.522 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.774 2.088 -0.900 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.369 1.259 -1.613 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.957 0.456 -1.586 1.00 0.00 H new ATOM 457 N LYS A 29 -5.062 -1.424 2.681 1.00 0.00 N ATOM 458 CA LYS A 29 -5.997 -1.034 3.722 1.00 0.00 C ATOM 459 C LYS A 29 -5.389 -1.296 5.104 1.00 0.00 C ATOM 460 O LYS A 29 -5.375 -0.437 5.962 1.00 0.00 O ATOM 461 CB LYS A 29 -7.191 -1.924 3.524 1.00 0.00 C ATOM 462 CG LYS A 29 -8.172 -1.585 4.603 1.00 0.00 C ATOM 463 CD LYS A 29 -9.565 -2.035 4.192 1.00 0.00 C ATOM 464 CE LYS A 29 -10.369 -2.451 5.447 1.00 0.00 C ATOM 465 NZ LYS A 29 -11.703 -2.969 5.031 1.00 0.00 N ATOM 0 H LYS A 29 -5.444 -2.098 2.018 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.249 0.025 3.667 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.631 -1.766 2.539 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.903 -2.974 3.580 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.883 -2.070 5.535 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.167 -0.511 4.788 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.079 -1.228 3.670 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.497 -2.872 3.497 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.827 -3.216 6.003 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.490 -1.598 6.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.245 -3.249 5.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.220 -2.226 4.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.577 -3.794 4.410 1.00 0.00 H new ATOM 479 N LEU A 30 -4.891 -2.485 5.331 1.00 0.00 N ATOM 480 CA LEU A 30 -4.292 -2.796 6.662 1.00 0.00 C ATOM 481 C LEU A 30 -3.148 -1.825 6.939 1.00 0.00 C ATOM 482 O LEU A 30 -2.781 -1.585 8.072 1.00 0.00 O ATOM 483 CB LEU A 30 -3.754 -4.229 6.661 1.00 0.00 C ATOM 484 CG LEU A 30 -4.895 -5.198 6.350 1.00 0.00 C ATOM 485 CD1 LEU A 30 -4.704 -5.777 4.947 1.00 0.00 C ATOM 486 CD2 LEU A 30 -4.893 -6.335 7.374 1.00 0.00 C ATOM 0 H LEU A 30 -4.874 -3.249 4.656 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.053 -2.697 7.436 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.962 -4.332 5.919 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.315 -4.465 7.630 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.845 -4.667 6.398 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -5.517 -6.468 4.725 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.705 -4.968 4.216 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.753 -6.308 4.899 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.706 -7.026 7.152 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.942 -6.866 7.326 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.029 -5.924 8.374 1.00 0.00 H new ATOM 498 N LEU A 31 -2.585 -1.260 5.910 1.00 0.00 N ATOM 499 CA LEU A 31 -1.468 -0.300 6.103 1.00 0.00 C ATOM 500 C LEU A 31 -1.968 0.903 6.886 1.00 0.00 C ATOM 501 O LEU A 31 -1.558 1.149 8.003 1.00 0.00 O ATOM 502 CB LEU A 31 -0.973 0.181 4.743 1.00 0.00 C ATOM 503 CG LEU A 31 -0.751 -1.016 3.820 1.00 0.00 C ATOM 504 CD1 LEU A 31 0.035 -0.566 2.588 1.00 0.00 C ATOM 505 CD2 LEU A 31 0.039 -2.095 4.561 1.00 0.00 C ATOM 0 H LEU A 31 -2.852 -1.423 4.939 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.660 -0.792 6.644 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.700 0.862 4.301 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.044 0.739 4.860 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.715 -1.421 3.512 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.195 -1.418 1.927 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.527 0.203 2.059 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.998 -0.162 2.899 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.197 -2.948 3.901 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.004 -1.692 4.870 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.519 -2.415 5.441 1.00 0.00 H new ATOM 517 N LEU A 32 -2.848 1.665 6.299 1.00 0.00 N ATOM 518 CA LEU A 32 -3.365 2.863 7.017 1.00 0.00 C ATOM 519 C LEU A 32 -3.964 2.423 8.337 1.00 0.00 C ATOM 520 O LEU A 32 -3.695 2.967 9.375 1.00 0.00 O ATOM 521 CB LEU A 32 -4.441 3.607 6.257 1.00 0.00 C ATOM 522 CG LEU A 32 -4.541 3.125 4.842 1.00 0.00 C ATOM 523 CD1 LEU A 32 -5.347 1.841 4.824 1.00 0.00 C ATOM 524 CD2 LEU A 32 -5.257 4.193 4.069 1.00 0.00 C ATOM 0 H LEU A 32 -3.228 1.513 5.365 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.517 3.536 7.143 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.400 3.474 6.757 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.222 4.675 6.265 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.560 2.931 4.408 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.429 1.477 3.800 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.849 1.090 5.437 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.344 2.031 5.222 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.354 3.885 3.028 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.248 4.348 4.495 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.690 5.122 4.121 1.00 0.00 H new ATOM 536 N GLN A 33 -4.805 1.448 8.306 1.00 0.00 N ATOM 537 CA GLN A 33 -5.434 1.011 9.584 1.00 0.00 C ATOM 538 C GLN A 33 -4.370 0.882 10.670 1.00 0.00 C ATOM 539 O GLN A 33 -4.632 1.114 11.834 1.00 0.00 O ATOM 540 CB GLN A 33 -6.149 -0.327 9.397 1.00 0.00 C ATOM 541 CG GLN A 33 -7.549 -0.086 8.829 1.00 0.00 C ATOM 542 CD GLN A 33 -8.494 -1.183 9.323 1.00 0.00 C ATOM 543 OE1 GLN A 33 -9.135 -1.034 10.344 1.00 0.00 O ATOM 544 NE2 GLN A 33 -8.608 -2.287 8.636 1.00 0.00 N ATOM 0 H GLN A 33 -5.088 0.935 7.471 1.00 0.00 H new ATOM 0 HA GLN A 33 -6.166 1.760 9.886 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -5.577 -0.965 8.723 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -6.218 -0.851 10.351 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -7.916 0.892 9.140 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -7.516 -0.083 7.740 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -8.070 -2.412 7.779 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -9.235 -3.025 8.956 1.00 0.00 H new ATOM 553 N THR A 34 -3.168 0.543 10.311 1.00 0.00 N ATOM 554 CA THR A 34 -2.108 0.437 11.347 1.00 0.00 C ATOM 555 C THR A 34 -1.585 1.841 11.644 1.00 0.00 C ATOM 556 O THR A 34 -1.250 2.168 12.766 1.00 0.00 O ATOM 557 CB THR A 34 -0.969 -0.451 10.842 1.00 0.00 C ATOM 558 OG1 THR A 34 -1.422 -1.796 10.770 1.00 0.00 O ATOM 559 CG2 THR A 34 0.216 -0.359 11.805 1.00 0.00 C ATOM 0 H THR A 34 -2.874 0.337 9.356 1.00 0.00 H new ATOM 0 HA THR A 34 -2.515 -0.010 12.254 1.00 0.00 H new ATOM 0 HB THR A 34 -0.655 -0.118 9.853 1.00 0.00 H new ATOM 0 HG1 THR A 34 -0.726 -2.354 10.366 1.00 0.00 H new ATOM 0 HG21 THR A 34 1.027 -0.992 11.445 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.559 0.674 11.862 1.00 0.00 H new ATOM 0 HG23 THR A 34 -0.093 -0.694 12.795 1.00 0.00 H new ATOM 567 N GLU A 35 -1.516 2.678 10.642 1.00 0.00 N ATOM 568 CA GLU A 35 -1.019 4.063 10.862 1.00 0.00 C ATOM 569 C GLU A 35 -2.154 5.084 10.628 1.00 0.00 C ATOM 570 O GLU A 35 -2.463 5.871 11.503 1.00 0.00 O ATOM 571 CB GLU A 35 0.160 4.328 9.920 1.00 0.00 C ATOM 572 CG GLU A 35 1.107 3.124 9.955 1.00 0.00 C ATOM 573 CD GLU A 35 1.778 3.041 11.328 1.00 0.00 C ATOM 574 OE1 GLU A 35 1.827 4.055 12.004 1.00 0.00 O ATOM 575 OE2 GLU A 35 2.232 1.964 11.681 1.00 0.00 O ATOM 0 H GLU A 35 -1.783 2.460 9.682 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.681 4.172 11.893 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.200 4.495 8.905 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.689 5.232 10.223 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.554 2.207 9.753 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.862 3.219 9.175 1.00 0.00 H new ATOM 582 N PHE A 36 -2.781 5.095 9.472 1.00 0.00 N ATOM 583 CA PHE A 36 -3.882 6.086 9.238 1.00 0.00 C ATOM 584 C PHE A 36 -5.156 5.373 8.711 1.00 0.00 C ATOM 585 O PHE A 36 -5.509 5.542 7.563 1.00 0.00 O ATOM 586 CB PHE A 36 -3.443 7.102 8.168 1.00 0.00 C ATOM 587 CG PHE A 36 -1.945 7.042 7.932 1.00 0.00 C ATOM 588 CD1 PHE A 36 -1.038 7.420 8.932 1.00 0.00 C ATOM 589 CD2 PHE A 36 -1.471 6.609 6.688 1.00 0.00 C ATOM 590 CE1 PHE A 36 0.344 7.360 8.681 1.00 0.00 C ATOM 591 CE2 PHE A 36 -0.095 6.551 6.438 1.00 0.00 C ATOM 592 CZ PHE A 36 0.814 6.926 7.432 1.00 0.00 C ATOM 0 H PHE A 36 -2.581 4.470 8.691 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.096 6.582 10.185 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.969 6.900 7.235 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.724 8.108 8.481 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.400 7.756 9.892 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.170 6.318 5.918 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.045 7.648 9.450 1.00 0.00 H new ATOM 0 HE2 PHE A 36 0.265 6.216 5.476 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.876 6.882 7.239 1.00 0.00 H new ATOM 602 N PRO A 37 -5.824 4.611 9.553 1.00 0.00 N ATOM 603 CA PRO A 37 -7.061 3.891 9.163 1.00 0.00 C ATOM 604 C PRO A 37 -8.105 4.819 8.527 1.00 0.00 C ATOM 605 O PRO A 37 -8.996 4.370 7.836 1.00 0.00 O ATOM 606 CB PRO A 37 -7.618 3.333 10.483 1.00 0.00 C ATOM 607 CG PRO A 37 -6.533 3.542 11.567 1.00 0.00 C ATOM 608 CD PRO A 37 -5.415 4.399 10.950 1.00 0.00 C ATOM 0 HA PRO A 37 -6.841 3.126 8.419 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -8.540 3.846 10.758 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -7.860 2.275 10.381 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -6.956 4.037 12.441 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -6.139 2.583 11.903 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.307 5.347 11.478 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.452 3.892 11.007 1.00 0.00 H new ATOM 616 N SER A 38 -8.045 6.095 8.788 1.00 0.00 N ATOM 617 CA SER A 38 -9.083 7.009 8.225 1.00 0.00 C ATOM 618 C SER A 38 -8.798 7.388 6.768 1.00 0.00 C ATOM 619 O SER A 38 -9.493 8.203 6.196 1.00 0.00 O ATOM 620 CB SER A 38 -9.154 8.278 9.074 1.00 0.00 C ATOM 621 OG SER A 38 -7.840 8.649 9.473 1.00 0.00 O ATOM 0 H SER A 38 -7.330 6.543 9.361 1.00 0.00 H new ATOM 0 HA SER A 38 -10.035 6.478 8.246 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.615 9.085 8.505 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.779 8.109 9.951 1.00 0.00 H new ATOM 0 HG SER A 38 -7.881 9.464 10.016 1.00 0.00 H new ATOM 627 N LEU A 39 -7.807 6.818 6.151 1.00 0.00 N ATOM 628 CA LEU A 39 -7.538 7.183 4.732 1.00 0.00 C ATOM 629 C LEU A 39 -8.499 6.415 3.817 1.00 0.00 C ATOM 630 O LEU A 39 -8.444 6.525 2.608 1.00 0.00 O ATOM 631 CB LEU A 39 -6.090 6.848 4.375 1.00 0.00 C ATOM 632 CG LEU A 39 -5.298 8.144 4.191 1.00 0.00 C ATOM 633 CD1 LEU A 39 -5.273 8.925 5.509 1.00 0.00 C ATOM 634 CD2 LEU A 39 -3.865 7.807 3.772 1.00 0.00 C ATOM 0 H LEU A 39 -7.178 6.125 6.557 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.693 8.253 4.596 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -5.641 6.243 5.163 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.057 6.256 3.460 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.772 8.752 3.420 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.708 9.847 5.375 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -6.293 9.165 5.809 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.800 8.319 6.282 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.298 8.729 3.640 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.394 7.199 4.544 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.881 7.253 2.833 1.00 0.00 H new ATOM 646 N LEU A 40 -9.391 5.649 4.386 1.00 0.00 N ATOM 647 CA LEU A 40 -10.366 4.884 3.554 1.00 0.00 C ATOM 648 C LEU A 40 -11.784 5.116 4.093 1.00 0.00 C ATOM 649 O LEU A 40 -12.109 6.189 4.558 1.00 0.00 O ATOM 650 CB LEU A 40 -10.041 3.388 3.616 1.00 0.00 C ATOM 651 CG LEU A 40 -8.532 3.160 3.452 1.00 0.00 C ATOM 652 CD1 LEU A 40 -8.269 1.676 3.179 1.00 0.00 C ATOM 653 CD2 LEU A 40 -8.008 3.988 2.276 1.00 0.00 C ATOM 0 H LEU A 40 -9.487 5.520 5.393 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.302 5.225 2.521 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.376 2.976 4.568 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.582 2.859 2.832 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.021 3.464 4.366 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.198 1.512 3.062 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.638 1.081 4.015 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.784 1.377 2.266 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.936 3.823 2.164 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.520 3.686 1.362 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.194 5.045 2.464 1.00 0.00 H new ATOM 665 N LYS A 41 -12.628 4.116 4.032 1.00 0.00 N ATOM 666 CA LYS A 41 -14.023 4.273 4.541 1.00 0.00 C ATOM 667 C LYS A 41 -14.843 5.123 3.553 1.00 0.00 C ATOM 668 O LYS A 41 -14.627 6.312 3.428 1.00 0.00 O ATOM 669 CB LYS A 41 -14.000 4.966 5.907 1.00 0.00 C ATOM 670 CG LYS A 41 -12.929 4.327 6.794 1.00 0.00 C ATOM 671 CD LYS A 41 -13.474 3.032 7.403 1.00 0.00 C ATOM 672 CE LYS A 41 -13.710 3.224 8.903 1.00 0.00 C ATOM 673 NZ LYS A 41 -12.472 2.863 9.651 1.00 0.00 N ATOM 0 H LYS A 41 -12.409 3.196 3.650 1.00 0.00 H new ATOM 0 HA LYS A 41 -14.479 3.288 4.640 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -13.795 6.029 5.782 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -14.977 4.883 6.384 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -12.034 4.117 6.208 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -12.637 5.018 7.585 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -14.406 2.752 6.912 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -12.769 2.217 7.238 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -13.984 4.259 9.109 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -14.542 2.602 9.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -12.632 2.993 10.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -12.230 1.869 9.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -11.689 3.474 9.342 1.00 0.00 H new ATOM 687 N GLY A 42 -15.781 4.532 2.849 1.00 0.00 N ATOM 688 CA GLY A 42 -16.597 5.325 1.886 1.00 0.00 C ATOM 689 C GLY A 42 -15.829 5.498 0.574 1.00 0.00 C ATOM 690 O GLY A 42 -16.306 6.114 -0.357 1.00 0.00 O ATOM 0 H GLY A 42 -16.012 3.540 2.902 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -17.546 4.822 1.699 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -16.832 6.301 2.312 1.00 0.00 H new ATOM 694 N MET A 43 -14.645 4.952 0.488 1.00 0.00 N ATOM 695 CA MET A 43 -13.853 5.080 -0.776 1.00 0.00 C ATOM 696 C MET A 43 -12.956 3.853 -0.889 1.00 0.00 C ATOM 697 O MET A 43 -12.726 3.324 -1.958 1.00 0.00 O ATOM 698 CB MET A 43 -12.936 6.320 -0.751 1.00 0.00 C ATOM 699 CG MET A 43 -13.330 7.273 0.380 1.00 0.00 C ATOM 700 SD MET A 43 -12.862 8.964 -0.061 1.00 0.00 S ATOM 701 CE MET A 43 -13.866 9.802 1.188 1.00 0.00 C ATOM 0 H MET A 43 -14.191 4.424 1.234 1.00 0.00 H new ATOM 0 HA MET A 43 -14.548 5.172 -1.611 1.00 0.00 H new ATOM 0 HB2 MET A 43 -11.900 6.007 -0.623 1.00 0.00 H new ATOM 0 HB3 MET A 43 -12.996 6.840 -1.707 1.00 0.00 H new ATOM 0 HG2 MET A 43 -14.404 7.217 0.559 1.00 0.00 H new ATOM 0 HG3 MET A 43 -12.837 6.978 1.306 1.00 0.00 H new ATOM 0 HE1 MET A 43 -13.731 10.880 1.100 1.00 0.00 H new ATOM 0 HE2 MET A 43 -14.917 9.555 1.036 1.00 0.00 H new ATOM 0 HE3 MET A 43 -13.557 9.477 2.181 1.00 0.00 H new ATOM 711 N SER A 44 -12.433 3.412 0.223 1.00 0.00 N ATOM 712 CA SER A 44 -11.534 2.240 0.222 1.00 0.00 C ATOM 713 C SER A 44 -10.302 2.552 -0.629 1.00 0.00 C ATOM 714 O SER A 44 -9.889 1.767 -1.459 1.00 0.00 O ATOM 715 CB SER A 44 -12.264 1.019 -0.341 1.00 0.00 C ATOM 716 OG SER A 44 -12.084 0.969 -1.750 1.00 0.00 O ATOM 0 H SER A 44 -12.597 3.825 1.141 1.00 0.00 H new ATOM 0 HA SER A 44 -11.224 2.020 1.243 1.00 0.00 H new ATOM 0 HB2 SER A 44 -11.880 0.108 0.118 1.00 0.00 H new ATOM 0 HB3 SER A 44 -13.326 1.074 -0.101 1.00 0.00 H new ATOM 0 HG SER A 44 -12.588 1.697 -2.170 1.00 0.00 H new ATOM 722 N THR A 45 -9.710 3.697 -0.414 1.00 0.00 N ATOM 723 CA THR A 45 -8.495 4.081 -1.193 1.00 0.00 C ATOM 724 C THR A 45 -8.057 5.491 -0.813 1.00 0.00 C ATOM 725 O THR A 45 -6.902 5.839 -0.924 1.00 0.00 O ATOM 726 CB THR A 45 -8.793 4.029 -2.697 1.00 0.00 C ATOM 727 OG1 THR A 45 -7.571 4.073 -3.420 1.00 0.00 O ATOM 728 CG2 THR A 45 -9.668 5.216 -3.106 1.00 0.00 C ATOM 0 H THR A 45 -10.017 4.387 0.272 1.00 0.00 H new ATOM 0 HA THR A 45 -7.695 3.378 -0.960 1.00 0.00 H new ATOM 0 HB THR A 45 -9.324 3.104 -2.922 1.00 0.00 H new ATOM 0 HG1 THR A 45 -7.758 4.038 -4.381 1.00 0.00 H new ATOM 0 HG21 THR A 45 -9.872 5.166 -4.176 1.00 0.00 H new ATOM 0 HG22 THR A 45 -10.608 5.182 -2.556 1.00 0.00 H new ATOM 0 HG23 THR A 45 -9.148 6.147 -2.878 1.00 0.00 H new ATOM 736 N LEU A 46 -8.995 6.291 -0.394 1.00 0.00 N ATOM 737 CA LEU A 46 -8.722 7.713 -0.007 1.00 0.00 C ATOM 738 C LEU A 46 -8.982 8.595 -1.224 1.00 0.00 C ATOM 739 O LEU A 46 -9.620 9.626 -1.138 1.00 0.00 O ATOM 740 CB LEU A 46 -7.267 7.893 0.461 1.00 0.00 C ATOM 741 CG LEU A 46 -7.062 9.297 1.047 1.00 0.00 C ATOM 742 CD1 LEU A 46 -6.882 10.301 -0.093 1.00 0.00 C ATOM 743 CD2 LEU A 46 -8.272 9.698 1.897 1.00 0.00 C ATOM 0 H LEU A 46 -9.972 6.014 -0.299 1.00 0.00 H new ATOM 0 HA LEU A 46 -9.374 7.992 0.820 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.024 7.140 1.211 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.587 7.739 -0.377 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.173 9.293 1.678 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.736 11.299 0.321 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.012 10.024 -0.688 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.770 10.296 -0.725 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -8.114 10.696 2.307 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.168 9.698 1.277 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.396 8.986 2.713 1.00 0.00 H new ATOM 755 N ASP A 47 -8.485 8.194 -2.360 1.00 0.00 N ATOM 756 CA ASP A 47 -8.684 8.989 -3.583 1.00 0.00 C ATOM 757 C ASP A 47 -8.133 8.233 -4.793 1.00 0.00 C ATOM 758 O ASP A 47 -8.866 7.771 -5.644 1.00 0.00 O ATOM 759 CB ASP A 47 -7.931 10.286 -3.426 1.00 0.00 C ATOM 760 CG ASP A 47 -8.904 11.421 -3.100 1.00 0.00 C ATOM 761 OD1 ASP A 47 -9.567 11.887 -4.012 1.00 0.00 O ATOM 762 OD2 ASP A 47 -8.969 11.807 -1.945 1.00 0.00 O ATOM 0 H ASP A 47 -7.944 7.338 -2.486 1.00 0.00 H new ATOM 0 HA ASP A 47 -9.747 9.175 -3.737 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -7.190 10.192 -2.632 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -7.388 10.514 -4.343 1.00 0.00 H new ATOM 767 N GLU A 48 -6.836 8.139 -4.884 1.00 0.00 N ATOM 768 CA GLU A 48 -6.202 7.456 -6.040 1.00 0.00 C ATOM 769 C GLU A 48 -4.881 6.835 -5.609 1.00 0.00 C ATOM 770 O GLU A 48 -3.936 6.750 -6.368 1.00 0.00 O ATOM 771 CB GLU A 48 -5.888 8.503 -7.059 1.00 0.00 C ATOM 772 CG GLU A 48 -6.893 8.435 -8.206 1.00 0.00 C ATOM 773 CD GLU A 48 -6.350 9.203 -9.412 1.00 0.00 C ATOM 774 OE1 GLU A 48 -5.818 10.282 -9.212 1.00 0.00 O ATOM 775 OE2 GLU A 48 -6.479 8.700 -10.515 1.00 0.00 O ATOM 0 H GLU A 48 -6.182 8.512 -4.196 1.00 0.00 H new ATOM 0 HA GLU A 48 -6.868 6.686 -6.429 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.916 9.490 -6.598 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.877 8.358 -7.441 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -7.080 7.396 -8.478 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -7.847 8.859 -7.892 1.00 0.00 H new ATOM 782 N LEU A 49 -4.821 6.410 -4.402 1.00 0.00 N ATOM 783 CA LEU A 49 -3.576 5.789 -3.877 1.00 0.00 C ATOM 784 C LEU A 49 -3.432 4.431 -4.537 1.00 0.00 C ATOM 785 O LEU A 49 -2.353 3.898 -4.686 1.00 0.00 O ATOM 786 CB LEU A 49 -3.691 5.620 -2.359 1.00 0.00 C ATOM 787 CG LEU A 49 -2.357 5.966 -1.693 1.00 0.00 C ATOM 788 CD1 LEU A 49 -1.262 5.041 -2.226 1.00 0.00 C ATOM 789 CD2 LEU A 49 -1.993 7.419 -2.004 1.00 0.00 C ATOM 0 H LEU A 49 -5.590 6.461 -3.733 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.709 6.413 -4.092 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.479 6.266 -1.971 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.972 4.595 -2.119 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.447 5.836 -0.615 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.313 5.289 -1.751 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.520 4.006 -2.003 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.172 5.168 -3.305 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.043 7.666 -1.530 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.905 7.549 -3.083 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.772 8.079 -1.621 1.00 0.00 H new ATOM 801 N PHE A 50 -4.536 3.879 -4.933 1.00 0.00 N ATOM 802 CA PHE A 50 -4.531 2.559 -5.594 1.00 0.00 C ATOM 803 C PHE A 50 -4.193 2.721 -7.078 1.00 0.00 C ATOM 804 O PHE A 50 -3.401 1.984 -7.630 1.00 0.00 O ATOM 805 CB PHE A 50 -5.916 1.956 -5.451 1.00 0.00 C ATOM 806 CG PHE A 50 -5.888 0.539 -5.972 1.00 0.00 C ATOM 807 CD1 PHE A 50 -5.045 -0.409 -5.378 1.00 0.00 C ATOM 808 CD2 PHE A 50 -6.692 0.176 -7.058 1.00 0.00 C ATOM 809 CE1 PHE A 50 -5.008 -1.720 -5.868 1.00 0.00 C ATOM 810 CE2 PHE A 50 -6.653 -1.134 -7.551 1.00 0.00 C ATOM 811 CZ PHE A 50 -5.813 -2.082 -6.955 1.00 0.00 C ATOM 0 H PHE A 50 -5.460 4.298 -4.823 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.784 1.912 -5.135 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -6.226 1.967 -4.406 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -6.644 2.548 -6.006 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -4.423 -0.128 -4.541 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -7.343 0.906 -7.516 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -4.359 -2.451 -5.408 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -7.271 -1.413 -8.391 1.00 0.00 H new ATOM 0 HZ PHE A 50 -5.786 -3.093 -7.334 1.00 0.00 H new ATOM 821 N GLU A 51 -4.803 3.675 -7.729 1.00 0.00 N ATOM 822 CA GLU A 51 -4.534 3.885 -9.181 1.00 0.00 C ATOM 823 C GLU A 51 -3.078 4.301 -9.388 1.00 0.00 C ATOM 824 O GLU A 51 -2.441 3.902 -10.343 1.00 0.00 O ATOM 825 CB GLU A 51 -5.450 4.986 -9.716 1.00 0.00 C ATOM 826 CG GLU A 51 -5.221 5.148 -11.219 1.00 0.00 C ATOM 827 CD GLU A 51 -6.557 5.410 -11.914 1.00 0.00 C ATOM 828 OE1 GLU A 51 -7.534 5.623 -11.216 1.00 0.00 O ATOM 829 OE2 GLU A 51 -6.582 5.395 -13.134 1.00 0.00 O ATOM 0 H GLU A 51 -5.478 4.319 -7.317 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.723 2.954 -9.715 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.492 4.735 -9.520 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.247 5.926 -9.202 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -4.534 5.973 -11.406 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -4.758 4.249 -11.626 1.00 0.00 H new ATOM 836 N GLU A 52 -2.543 5.098 -8.506 1.00 0.00 N ATOM 837 CA GLU A 52 -1.127 5.533 -8.664 1.00 0.00 C ATOM 838 C GLU A 52 -0.196 4.333 -8.491 1.00 0.00 C ATOM 839 O GLU A 52 0.997 4.429 -8.686 1.00 0.00 O ATOM 840 CB GLU A 52 -0.794 6.593 -7.612 1.00 0.00 C ATOM 841 CG GLU A 52 -0.313 7.868 -8.308 1.00 0.00 C ATOM 842 CD GLU A 52 -0.765 9.088 -7.506 1.00 0.00 C ATOM 843 OE1 GLU A 52 -1.833 9.026 -6.920 1.00 0.00 O ATOM 844 OE2 GLU A 52 -0.035 10.066 -7.491 1.00 0.00 O ATOM 0 H GLU A 52 -3.023 5.466 -7.685 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.991 5.955 -9.660 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -1.673 6.807 -7.005 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.023 6.221 -6.937 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.773 7.859 -8.396 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.714 7.916 -9.320 1.00 0.00 H new ATOM 851 N LEU A 53 -0.730 3.201 -8.121 1.00 0.00 N ATOM 852 CA LEU A 53 0.130 2.003 -7.934 1.00 0.00 C ATOM 853 C LEU A 53 -0.282 0.905 -8.915 1.00 0.00 C ATOM 854 O LEU A 53 0.293 -0.165 -8.937 1.00 0.00 O ATOM 855 CB LEU A 53 -0.016 1.494 -6.501 1.00 0.00 C ATOM 856 CG LEU A 53 -0.032 2.684 -5.548 1.00 0.00 C ATOM 857 CD1 LEU A 53 -0.413 2.210 -4.145 1.00 0.00 C ATOM 858 CD2 LEU A 53 1.358 3.314 -5.511 1.00 0.00 C ATOM 0 H LEU A 53 -1.723 3.056 -7.941 1.00 0.00 H new ATOM 0 HA LEU A 53 1.169 2.273 -8.122 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.936 0.918 -6.399 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.808 0.825 -6.254 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.760 3.419 -5.891 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.424 3.061 -3.464 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.402 1.753 -4.171 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.316 1.477 -3.798 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.353 4.166 -4.831 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.082 2.577 -5.164 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.632 3.650 -6.511 1.00 0.00 H new ATOM 870 N ASP A 54 -1.268 1.158 -9.728 1.00 0.00 N ATOM 871 CA ASP A 54 -1.701 0.120 -10.703 1.00 0.00 C ATOM 872 C ASP A 54 -0.657 0.002 -11.818 1.00 0.00 C ATOM 873 O ASP A 54 -0.047 0.976 -12.213 1.00 0.00 O ATOM 874 CB ASP A 54 -3.051 0.511 -11.308 1.00 0.00 C ATOM 875 CG ASP A 54 -3.854 -0.755 -11.612 1.00 0.00 C ATOM 876 OD1 ASP A 54 -3.437 -1.815 -11.176 1.00 0.00 O ATOM 877 OD2 ASP A 54 -4.872 -0.642 -12.275 1.00 0.00 O ATOM 0 H ASP A 54 -1.790 2.033 -9.760 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.799 -0.837 -10.191 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.602 1.148 -10.616 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.900 1.088 -12.220 1.00 0.00 H new ATOM 882 N LYS A 55 -0.448 -1.181 -12.331 1.00 0.00 N ATOM 883 CA LYS A 55 0.556 -1.353 -13.420 1.00 0.00 C ATOM 884 C LYS A 55 -0.138 -1.896 -14.669 1.00 0.00 C ATOM 885 O LYS A 55 -0.288 -1.205 -15.657 1.00 0.00 O ATOM 886 CB LYS A 55 1.637 -2.335 -12.967 1.00 0.00 C ATOM 887 CG LYS A 55 2.195 -1.889 -11.614 1.00 0.00 C ATOM 888 CD LYS A 55 3.720 -1.770 -11.697 1.00 0.00 C ATOM 889 CE LYS A 55 4.112 -0.907 -12.920 1.00 0.00 C ATOM 890 NZ LYS A 55 5.497 -0.390 -12.734 1.00 0.00 N ATOM 0 H LYS A 55 -0.928 -2.034 -12.044 1.00 0.00 H new ATOM 0 HA LYS A 55 1.015 -0.391 -13.648 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.221 -3.339 -12.888 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.437 -2.379 -13.706 1.00 0.00 H new ATOM 0 HG2 LYS A 55 1.761 -0.931 -11.329 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.918 -2.606 -10.841 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.109 -1.321 -10.783 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.167 -2.760 -11.781 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.052 -1.500 -13.832 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.414 -0.078 -13.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.764 0.191 -13.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.538 0.190 -11.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.157 -1.189 -12.646 1.00 0.00 H new ATOM 904 N ASN A 56 -0.568 -3.127 -14.632 1.00 0.00 N ATOM 905 CA ASN A 56 -1.260 -3.713 -15.815 1.00 0.00 C ATOM 906 C ASN A 56 -2.685 -4.109 -15.428 1.00 0.00 C ATOM 907 O ASN A 56 -3.469 -4.530 -16.256 1.00 0.00 O ATOM 908 CB ASN A 56 -0.504 -4.955 -16.310 1.00 0.00 C ATOM 909 CG ASN A 56 0.394 -5.506 -15.200 1.00 0.00 C ATOM 910 OD1 ASN A 56 1.592 -5.619 -15.369 1.00 0.00 O ATOM 911 ND2 ASN A 56 -0.142 -5.853 -14.069 1.00 0.00 N ATOM 0 H ASN A 56 -0.470 -3.753 -13.833 1.00 0.00 H new ATOM 0 HA ASN A 56 -1.287 -2.971 -16.613 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -1.214 -5.719 -16.626 1.00 0.00 H new ATOM 0 HB3 ASN A 56 0.099 -4.699 -17.182 1.00 0.00 H new ATOM 0 HD21 ASN A 56 0.443 -6.222 -13.319 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.148 -5.757 -13.931 1.00 0.00 H new ATOM 918 N GLY A 57 -3.029 -3.980 -14.175 1.00 0.00 N ATOM 919 CA GLY A 57 -4.405 -4.350 -13.740 1.00 0.00 C ATOM 920 C GLY A 57 -4.393 -5.766 -13.167 1.00 0.00 C ATOM 921 O GLY A 57 -5.102 -6.641 -13.625 1.00 0.00 O ATOM 0 H GLY A 57 -2.417 -3.635 -13.435 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.763 -3.645 -12.989 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.093 -4.293 -14.584 1.00 0.00 H new ATOM 925 N ASP A 58 -3.596 -5.996 -12.162 1.00 0.00 N ATOM 926 CA ASP A 58 -3.538 -7.348 -11.547 1.00 0.00 C ATOM 927 C ASP A 58 -3.782 -7.222 -10.044 1.00 0.00 C ATOM 928 O ASP A 58 -3.732 -8.190 -9.314 1.00 0.00 O ATOM 929 CB ASP A 58 -2.162 -7.968 -11.792 1.00 0.00 C ATOM 930 CG ASP A 58 -1.114 -7.231 -10.955 1.00 0.00 C ATOM 931 OD1 ASP A 58 -1.252 -6.031 -10.791 1.00 0.00 O ATOM 932 OD2 ASP A 58 -0.189 -7.881 -10.495 1.00 0.00 O ATOM 0 H ASP A 58 -2.980 -5.302 -11.739 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.301 -7.986 -11.993 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.176 -9.025 -11.528 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.907 -7.907 -12.850 1.00 0.00 H new ATOM 937 N GLY A 59 -4.053 -6.032 -9.577 1.00 0.00 N ATOM 938 CA GLY A 59 -4.307 -5.849 -8.128 1.00 0.00 C ATOM 939 C GLY A 59 -2.996 -5.976 -7.345 1.00 0.00 C ATOM 940 O GLY A 59 -2.995 -6.351 -6.190 1.00 0.00 O ATOM 0 H GLY A 59 -4.108 -5.183 -10.140 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.753 -4.871 -7.950 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.022 -6.594 -7.779 1.00 0.00 H new ATOM 944 N GLU A 60 -1.878 -5.670 -7.955 1.00 0.00 N ATOM 945 CA GLU A 60 -0.585 -5.783 -7.221 1.00 0.00 C ATOM 946 C GLU A 60 0.127 -4.429 -7.201 1.00 0.00 C ATOM 947 O GLU A 60 -0.147 -3.556 -7.999 1.00 0.00 O ATOM 948 CB GLU A 60 0.313 -6.818 -7.905 1.00 0.00 C ATOM 949 CG GLU A 60 1.647 -6.916 -7.161 1.00 0.00 C ATOM 950 CD GLU A 60 2.257 -8.301 -7.384 1.00 0.00 C ATOM 951 OE1 GLU A 60 1.793 -9.239 -6.755 1.00 0.00 O ATOM 952 OE2 GLU A 60 3.178 -8.400 -8.177 1.00 0.00 O ATOM 0 H GLU A 60 -1.807 -5.350 -8.921 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.789 -6.098 -6.198 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.180 -7.790 -7.917 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.485 -6.535 -8.943 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.331 -6.145 -7.516 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.495 -6.741 -6.096 1.00 0.00 H new ATOM 959 N VAL A 61 1.048 -4.258 -6.294 1.00 0.00 N ATOM 960 CA VAL A 61 1.797 -2.974 -6.209 1.00 0.00 C ATOM 961 C VAL A 61 3.221 -3.270 -5.748 1.00 0.00 C ATOM 962 O VAL A 61 3.479 -3.500 -4.587 1.00 0.00 O ATOM 963 CB VAL A 61 1.095 -2.025 -5.220 1.00 0.00 C ATOM 964 CG1 VAL A 61 2.076 -0.989 -4.645 1.00 0.00 C ATOM 965 CG2 VAL A 61 -0.012 -1.286 -5.966 1.00 0.00 C ATOM 0 H VAL A 61 1.316 -4.959 -5.603 1.00 0.00 H new ATOM 0 HA VAL A 61 1.825 -2.490 -7.185 1.00 0.00 H new ATOM 0 HB VAL A 61 0.694 -2.615 -4.395 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.549 -0.335 -3.951 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.881 -1.503 -4.119 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.495 -0.394 -5.457 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.522 -0.608 -5.282 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.421 -0.715 -6.787 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.727 -2.007 -6.363 1.00 0.00 H new ATOM 975 N SER A 62 4.150 -3.245 -6.649 1.00 0.00 N ATOM 976 CA SER A 62 5.550 -3.519 -6.270 1.00 0.00 C ATOM 977 C SER A 62 6.094 -2.288 -5.542 1.00 0.00 C ATOM 978 O SER A 62 5.447 -1.262 -5.470 1.00 0.00 O ATOM 979 CB SER A 62 6.356 -3.789 -7.550 1.00 0.00 C ATOM 980 OG SER A 62 6.123 -2.733 -8.484 1.00 0.00 O ATOM 0 H SER A 62 3.998 -3.045 -7.638 1.00 0.00 H new ATOM 0 HA SER A 62 5.623 -4.387 -5.615 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.419 -3.857 -7.317 1.00 0.00 H new ATOM 0 HB3 SER A 62 6.063 -4.745 -7.984 1.00 0.00 H new ATOM 0 HG SER A 62 6.637 -2.900 -9.302 1.00 0.00 H new ATOM 986 N PHE A 63 7.262 -2.386 -4.985 1.00 0.00 N ATOM 987 CA PHE A 63 7.844 -1.235 -4.239 1.00 0.00 C ATOM 988 C PHE A 63 8.102 -0.085 -5.218 1.00 0.00 C ATOM 989 O PHE A 63 8.404 1.021 -4.826 1.00 0.00 O ATOM 990 CB PHE A 63 9.157 -1.683 -3.591 1.00 0.00 C ATOM 991 CG PHE A 63 9.460 -0.897 -2.323 1.00 0.00 C ATOM 992 CD1 PHE A 63 8.539 -0.856 -1.264 1.00 0.00 C ATOM 993 CD2 PHE A 63 10.683 -0.226 -2.199 1.00 0.00 C ATOM 994 CE1 PHE A 63 8.842 -0.148 -0.093 1.00 0.00 C ATOM 995 CE2 PHE A 63 10.983 0.485 -1.028 1.00 0.00 C ATOM 996 CZ PHE A 63 10.063 0.523 0.027 1.00 0.00 C ATOM 0 H PHE A 63 7.847 -3.221 -5.013 1.00 0.00 H new ATOM 0 HA PHE A 63 7.157 -0.895 -3.464 1.00 0.00 H new ATOM 0 HB2 PHE A 63 9.102 -2.746 -3.355 1.00 0.00 H new ATOM 0 HB3 PHE A 63 9.974 -1.556 -4.301 1.00 0.00 H new ATOM 0 HD1 PHE A 63 7.594 -1.372 -1.352 1.00 0.00 H new ATOM 0 HD2 PHE A 63 11.398 -0.256 -3.008 1.00 0.00 H new ATOM 0 HE1 PHE A 63 8.130 -0.121 0.719 1.00 0.00 H new ATOM 0 HE2 PHE A 63 11.926 1.004 -0.940 1.00 0.00 H new ATOM 0 HZ PHE A 63 10.296 1.068 0.930 1.00 0.00 H new ATOM 1006 N GLU A 64 7.978 -0.335 -6.496 1.00 0.00 N ATOM 1007 CA GLU A 64 8.212 0.752 -7.488 1.00 0.00 C ATOM 1008 C GLU A 64 7.054 1.755 -7.435 1.00 0.00 C ATOM 1009 O GLU A 64 7.249 2.948 -7.558 1.00 0.00 O ATOM 1010 CB GLU A 64 8.303 0.154 -8.894 1.00 0.00 C ATOM 1011 CG GLU A 64 8.503 1.280 -9.910 1.00 0.00 C ATOM 1012 CD GLU A 64 9.936 1.241 -10.441 1.00 0.00 C ATOM 1013 OE1 GLU A 64 10.848 1.303 -9.632 1.00 0.00 O ATOM 1014 OE2 GLU A 64 10.098 1.151 -11.646 1.00 0.00 O ATOM 0 H GLU A 64 7.726 -1.240 -6.892 1.00 0.00 H new ATOM 0 HA GLU A 64 9.145 1.262 -7.249 1.00 0.00 H new ATOM 0 HB2 GLU A 64 9.132 -0.552 -8.948 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.395 -0.402 -9.125 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.796 1.171 -10.733 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.303 2.245 -9.443 1.00 0.00 H new ATOM 1021 N GLU A 65 5.850 1.283 -7.239 1.00 0.00 N ATOM 1022 CA GLU A 65 4.686 2.219 -7.166 1.00 0.00 C ATOM 1023 C GLU A 65 4.416 2.514 -5.695 1.00 0.00 C ATOM 1024 O GLU A 65 3.898 3.551 -5.332 1.00 0.00 O ATOM 1025 CB GLU A 65 3.438 1.598 -7.803 1.00 0.00 C ATOM 1026 CG GLU A 65 3.816 0.442 -8.737 1.00 0.00 C ATOM 1027 CD GLU A 65 3.329 -0.873 -8.134 1.00 0.00 C ATOM 1028 OE1 GLU A 65 3.346 -0.986 -6.923 1.00 0.00 O ATOM 1029 OE2 GLU A 65 2.946 -1.746 -8.897 1.00 0.00 O ATOM 0 H GLU A 65 5.622 0.295 -7.127 1.00 0.00 H new ATOM 0 HA GLU A 65 4.919 3.133 -7.712 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.769 1.236 -7.023 1.00 0.00 H new ATOM 0 HB3 GLU A 65 2.894 2.359 -8.362 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.369 0.592 -9.720 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.896 0.412 -8.879 1.00 0.00 H new ATOM 1036 N PHE A 66 4.808 1.609 -4.847 1.00 0.00 N ATOM 1037 CA PHE A 66 4.638 1.789 -3.368 1.00 0.00 C ATOM 1038 C PHE A 66 5.527 2.938 -2.866 1.00 0.00 C ATOM 1039 O PHE A 66 5.686 3.137 -1.679 1.00 0.00 O ATOM 1040 CB PHE A 66 5.060 0.483 -2.693 1.00 0.00 C ATOM 1041 CG PHE A 66 4.532 0.433 -1.281 1.00 0.00 C ATOM 1042 CD1 PHE A 66 3.243 -0.051 -1.037 1.00 0.00 C ATOM 1043 CD2 PHE A 66 5.321 0.893 -0.222 1.00 0.00 C ATOM 1044 CE1 PHE A 66 2.735 -0.067 0.264 1.00 0.00 C ATOM 1045 CE2 PHE A 66 4.817 0.871 1.079 1.00 0.00 C ATOM 1046 CZ PHE A 66 3.521 0.394 1.324 1.00 0.00 C ATOM 0 H PHE A 66 5.250 0.730 -5.116 1.00 0.00 H new ATOM 0 HA PHE A 66 3.601 2.032 -3.134 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.682 -0.367 -3.261 1.00 0.00 H new ATOM 0 HB3 PHE A 66 6.147 0.403 -2.686 1.00 0.00 H new ATOM 0 HD1 PHE A 66 2.639 -0.413 -1.856 1.00 0.00 H new ATOM 0 HD2 PHE A 66 6.318 1.264 -0.411 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.737 -0.435 0.451 1.00 0.00 H new ATOM 0 HE2 PHE A 66 5.426 1.222 1.899 1.00 0.00 H new ATOM 0 HZ PHE A 66 3.131 0.383 2.331 1.00 0.00 H new ATOM 1056 N GLN A 67 6.100 3.692 -3.760 1.00 0.00 N ATOM 1057 CA GLN A 67 6.970 4.829 -3.350 1.00 0.00 C ATOM 1058 C GLN A 67 6.119 6.038 -3.040 1.00 0.00 C ATOM 1059 O GLN A 67 6.496 6.889 -2.269 1.00 0.00 O ATOM 1060 CB GLN A 67 7.966 5.167 -4.449 1.00 0.00 C ATOM 1061 CG GLN A 67 8.680 3.894 -4.889 1.00 0.00 C ATOM 1062 CD GLN A 67 9.885 3.618 -3.966 1.00 0.00 C ATOM 1063 OE1 GLN A 67 10.839 4.370 -3.974 1.00 0.00 O ATOM 1064 NE2 GLN A 67 9.895 2.569 -3.164 1.00 0.00 N ATOM 0 H GLN A 67 6.002 3.568 -4.768 1.00 0.00 H new ATOM 0 HA GLN A 67 7.525 4.537 -2.458 1.00 0.00 H new ATOM 0 HB2 GLN A 67 7.451 5.620 -5.296 1.00 0.00 H new ATOM 0 HB3 GLN A 67 8.690 5.898 -4.088 1.00 0.00 H new ATOM 0 HG2 GLN A 67 7.989 3.051 -4.860 1.00 0.00 H new ATOM 0 HG3 GLN A 67 9.017 3.995 -5.921 1.00 0.00 H new ATOM 0 HE21 GLN A 67 9.099 1.931 -3.149 1.00 0.00 H new ATOM 0 HE22 GLN A 67 10.698 2.397 -2.559 1.00 0.00 H new ATOM 1073 N VAL A 68 4.967 6.118 -3.625 1.00 0.00 N ATOM 1074 CA VAL A 68 4.072 7.276 -3.324 1.00 0.00 C ATOM 1075 C VAL A 68 4.063 7.444 -1.805 1.00 0.00 C ATOM 1076 O VAL A 68 3.929 8.523 -1.274 1.00 0.00 O ATOM 1077 CB VAL A 68 2.661 6.986 -3.830 1.00 0.00 C ATOM 1078 CG1 VAL A 68 1.903 8.303 -3.987 1.00 0.00 C ATOM 1079 CG2 VAL A 68 2.749 6.276 -5.183 1.00 0.00 C ATOM 0 H VAL A 68 4.600 5.442 -4.295 1.00 0.00 H new ATOM 0 HA VAL A 68 4.424 8.184 -3.814 1.00 0.00 H new ATOM 0 HB VAL A 68 2.135 6.348 -3.120 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.895 8.102 -4.348 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.849 8.809 -3.023 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.424 8.940 -4.702 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.744 6.066 -5.550 1.00 0.00 H new ATOM 0 HG22 VAL A 68 3.269 6.915 -5.896 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.296 5.340 -5.068 1.00 0.00 H new ATOM 1089 N LEU A 69 4.262 6.358 -1.117 1.00 0.00 N ATOM 1090 CA LEU A 69 4.339 6.379 0.370 1.00 0.00 C ATOM 1091 C LEU A 69 5.645 7.020 0.736 1.00 0.00 C ATOM 1092 O LEU A 69 5.704 7.900 1.565 1.00 0.00 O ATOM 1093 CB LEU A 69 4.374 4.922 0.853 1.00 0.00 C ATOM 1094 CG LEU A 69 3.186 4.534 1.757 1.00 0.00 C ATOM 1095 CD1 LEU A 69 3.675 4.430 3.203 1.00 0.00 C ATOM 1096 CD2 LEU A 69 2.045 5.553 1.669 1.00 0.00 C ATOM 0 H LEU A 69 4.377 5.434 -1.532 1.00 0.00 H new ATOM 0 HA LEU A 69 3.498 6.915 0.810 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.388 4.262 -0.015 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.303 4.752 1.398 1.00 0.00 H new ATOM 0 HG LEU A 69 2.796 3.575 1.416 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.842 4.156 3.850 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.452 3.669 3.270 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.080 5.391 3.520 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.228 5.242 2.321 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.407 6.532 1.982 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.687 5.610 0.641 1.00 0.00 H new ATOM 1108 N VAL A 70 6.706 6.607 0.126 1.00 0.00 N ATOM 1109 CA VAL A 70 7.968 7.249 0.474 1.00 0.00 C ATOM 1110 C VAL A 70 7.869 8.713 0.036 1.00 0.00 C ATOM 1111 O VAL A 70 8.699 9.518 0.391 1.00 0.00 O ATOM 1112 CB VAL A 70 9.174 6.558 -0.200 1.00 0.00 C ATOM 1113 CG1 VAL A 70 8.876 5.094 -0.518 1.00 0.00 C ATOM 1114 CG2 VAL A 70 9.551 7.272 -1.506 1.00 0.00 C ATOM 0 H VAL A 70 6.748 5.872 -0.579 1.00 0.00 H new ATOM 0 HA VAL A 70 8.135 7.173 1.548 1.00 0.00 H new ATOM 0 HB VAL A 70 10.003 6.610 0.506 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.747 4.640 -0.991 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.645 4.561 0.404 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.023 5.035 -1.194 1.00 0.00 H new ATOM 0 HG21 VAL A 70 10.403 6.768 -1.963 1.00 0.00 H new ATOM 0 HG22 VAL A 70 8.704 7.248 -2.192 1.00 0.00 H new ATOM 0 HG23 VAL A 70 9.814 8.308 -1.291 1.00 0.00 H new ATOM 1124 N LYS A 71 6.841 9.076 -0.718 1.00 0.00 N ATOM 1125 CA LYS A 71 6.704 10.501 -1.130 1.00 0.00 C ATOM 1126 C LYS A 71 6.904 11.322 0.130 1.00 0.00 C ATOM 1127 O LYS A 71 7.389 12.429 0.082 1.00 0.00 O ATOM 1128 CB LYS A 71 5.319 10.765 -1.742 1.00 0.00 C ATOM 1129 CG LYS A 71 4.270 10.958 -0.643 1.00 0.00 C ATOM 1130 CD LYS A 71 2.878 11.020 -1.280 1.00 0.00 C ATOM 1131 CE LYS A 71 1.937 11.823 -0.382 1.00 0.00 C ATOM 1132 NZ LYS A 71 1.269 10.906 0.584 1.00 0.00 N ATOM 0 H LYS A 71 6.110 8.450 -1.054 1.00 0.00 H new ATOM 0 HA LYS A 71 7.435 10.764 -1.895 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.358 11.652 -2.374 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.033 9.930 -2.382 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.320 10.137 0.072 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.471 11.875 -0.089 1.00 0.00 H new ATOM 0 HD2 LYS A 71 2.938 11.482 -2.265 1.00 0.00 H new ATOM 0 HD3 LYS A 71 2.488 10.012 -1.424 1.00 0.00 H new ATOM 0 HE2 LYS A 71 2.496 12.590 0.155 1.00 0.00 H new ATOM 0 HE3 LYS A 71 1.191 12.337 -0.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 0.629 11.452 1.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 0.723 10.190 0.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 1.988 10.435 1.169 1.00 0.00 H new ATOM 1146 N LYS A 72 6.581 10.708 1.253 1.00 0.00 N ATOM 1147 CA LYS A 72 6.755 11.255 2.578 1.00 0.00 C ATOM 1148 C LYS A 72 5.413 11.437 3.236 1.00 0.00 C ATOM 1149 O LYS A 72 4.825 12.500 3.208 1.00 0.00 O ATOM 1150 CB LYS A 72 7.554 12.543 2.631 1.00 0.00 C ATOM 1151 CG LYS A 72 8.995 12.171 2.927 1.00 0.00 C ATOM 1152 CD LYS A 72 9.719 11.789 1.637 1.00 0.00 C ATOM 1153 CE LYS A 72 10.441 13.007 1.046 1.00 0.00 C ATOM 1154 NZ LYS A 72 11.614 12.551 0.247 1.00 0.00 N ATOM 0 H LYS A 72 6.173 9.773 1.263 1.00 0.00 H new ATOM 0 HA LYS A 72 7.352 10.527 3.127 1.00 0.00 H new ATOM 0 HB2 LYS A 72 7.482 13.078 1.684 1.00 0.00 H new ATOM 0 HB3 LYS A 72 7.163 13.206 3.402 1.00 0.00 H new ATOM 0 HG2 LYS A 72 9.504 13.009 3.403 1.00 0.00 H new ATOM 0 HG3 LYS A 72 9.026 11.338 3.630 1.00 0.00 H new ATOM 0 HD2 LYS A 72 10.438 10.995 1.838 1.00 0.00 H new ATOM 0 HD3 LYS A 72 9.004 11.396 0.914 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.758 13.577 0.416 1.00 0.00 H new ATOM 0 HE3 LYS A 72 10.768 13.672 1.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 12.103 13.377 -0.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 12.268 12.025 0.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 11.290 11.933 -0.524 1.00 0.00 H new ATOM 1168 N ILE A 73 4.950 10.416 3.880 1.00 0.00 N ATOM 1169 CA ILE A 73 3.682 10.531 4.596 1.00 0.00 C ATOM 1170 C ILE A 73 3.944 11.374 5.779 1.00 0.00 C ATOM 1171 O ILE A 73 3.081 12.014 6.344 1.00 0.00 O ATOM 1172 CB ILE A 73 3.290 9.217 5.232 1.00 0.00 C ATOM 1173 CG1 ILE A 73 3.869 8.003 4.516 1.00 0.00 C ATOM 1174 CG2 ILE A 73 1.805 9.169 5.298 1.00 0.00 C ATOM 1175 CD1 ILE A 73 3.623 8.045 3.004 1.00 0.00 C ATOM 0 H ILE A 73 5.404 9.504 3.937 1.00 0.00 H new ATOM 0 HA ILE A 73 2.929 10.892 3.895 1.00 0.00 H new ATOM 0 HB ILE A 73 3.715 9.169 6.234 1.00 0.00 H new ATOM 0 HG12 ILE A 73 4.941 7.950 4.706 1.00 0.00 H new ATOM 0 HG13 ILE A 73 3.427 7.096 4.928 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.491 8.230 5.754 1.00 0.00 H new ATOM 0 HG22 ILE A 73 1.440 10.003 5.898 1.00 0.00 H new ATOM 0 HG23 ILE A 73 1.394 9.239 4.291 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.055 7.158 2.540 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.551 8.070 2.810 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.088 8.937 2.584 1.00 0.00 H new ATOM 1187 N SER A 74 5.132 11.227 6.234 1.00 0.00 N ATOM 1188 CA SER A 74 5.503 11.852 7.488 1.00 0.00 C ATOM 1189 C SER A 74 4.887 13.250 7.615 1.00 0.00 C ATOM 1190 O SER A 74 3.944 13.459 8.352 1.00 0.00 O ATOM 1191 CB SER A 74 7.022 11.935 7.607 1.00 0.00 C ATOM 1192 OG SER A 74 7.607 10.852 6.897 1.00 0.00 O ATOM 0 H SER A 74 5.870 10.690 5.778 1.00 0.00 H new ATOM 0 HA SER A 74 5.114 11.236 8.299 1.00 0.00 H new ATOM 0 HB2 SER A 74 7.379 12.883 7.205 1.00 0.00 H new ATOM 0 HB3 SER A 74 7.319 11.901 8.655 1.00 0.00 H new ATOM 0 HG SER A 74 7.073 10.042 7.038 1.00 0.00 H new ATOM 1198 N GLN A 75 5.416 14.208 6.905 1.00 0.00 N ATOM 1199 CA GLN A 75 4.864 15.588 6.990 1.00 0.00 C ATOM 1200 C GLN A 75 5.021 16.108 8.420 1.00 0.00 C ATOM 1201 O GLN A 75 5.971 16.833 8.663 1.00 0.00 O ATOM 1202 CB GLN A 75 3.381 15.571 6.610 1.00 0.00 C ATOM 1203 CG GLN A 75 3.141 16.551 5.460 1.00 0.00 C ATOM 1204 CD GLN A 75 3.480 15.869 4.134 1.00 0.00 C ATOM 1205 OE1 GLN A 75 4.588 15.977 3.649 1.00 0.00 O ATOM 1206 NE2 GLN A 75 2.563 15.168 3.523 1.00 0.00 N ATOM 1207 OXT GLN A 75 4.189 15.774 9.247 1.00 0.00 O ATOM 0 H GLN A 75 6.206 14.094 6.270 1.00 0.00 H new ATOM 0 HA GLN A 75 5.404 16.240 6.304 1.00 0.00 H new ATOM 0 HB2 GLN A 75 3.081 14.566 6.314 1.00 0.00 H new ATOM 0 HB3 GLN A 75 2.770 15.846 7.470 1.00 0.00 H new ATOM 0 HG2 GLN A 75 2.102 16.879 5.458 1.00 0.00 H new ATOM 0 HG3 GLN A 75 3.756 17.441 5.592 1.00 0.00 H new ATOM 0 HE21 GLN A 75 1.633 15.078 3.932 1.00 0.00 H new ATOM 0 HE22 GLN A 75 2.777 14.710 2.637 1.00 0.00 H new TER 1216 GLN A 75