USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 455 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 16 LYS NZ :NH3+ -121:sc= 0.499 (180deg=-1.27!) USER MOD Set 1.2: A 31 GLN : amide:sc= -16.3! C(o=-15!,f=-24!) USER MOD Set 1.3: A 36 TYR OH : rot 122:sc= 0.914 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.659 USER MOD Single : A 12 LYS NZ :NH3+ 173:sc= 0.74! (180deg=0.527!) USER MOD Single : A 14 LYS NZ :NH3+ -110:sc= -3.99! (180deg=-7.29!) USER MOD Single : A 17 SER OG : rot -117:sc= 1.13 USER MOD Single : A 22 ASN : amide:sc= -4.93! K(o=-4.9!,f=-1.6) USER MOD Single : A 23 ASN : amide:sc= -0.909 K(o=-0.91,f=-0.11) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0983 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -1.33! C(o=-1.3!,f=-2.7!) USER MOD Single : A 40 TYR OH : rot 28:sc= -4.21! USER MOD Single : A 42 GLN : amide:sc= -1.56! C(o=-1.6!,f=-1.5!) USER MOD Single : A 43 HIS : no HE2:sc= -9.28! C(o=-9.3!,f=-13!) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.967! USER MOD Single : A 48 ASN : amide:sc= -4.79! C(o=-4.8!,f=-5.3!) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -3.821 9.194 -9.217 1.00 0.00 N ATOM 2 CA PRO A 1 -3.162 10.506 -8.935 1.00 0.00 C ATOM 3 C PRO A 1 -2.358 10.410 -7.636 1.00 0.00 C ATOM 4 O PRO A 1 -1.241 10.879 -7.550 1.00 0.00 O ATOM 5 CB PRO A 1 -4.249 11.571 -8.791 1.00 0.00 C ATOM 6 CG PRO A 1 -5.592 10.882 -8.993 1.00 0.00 C ATOM 7 CD PRO A 1 -5.304 9.382 -9.202 1.00 0.00 C ATOM 0 H2 PRO A 1 -3.546 8.504 -8.518 1.00 0.00 H new ATOM 0 H3 PRO A 1 -3.520 8.836 -10.124 1.00 0.00 H new ATOM 0 HA PRO A 1 -2.486 10.769 -9.749 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -4.201 12.037 -7.807 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -4.110 12.363 -9.526 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -6.237 11.034 -8.127 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -6.113 11.298 -9.855 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -5.755 8.793 -8.404 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -5.741 9.037 -10.139 1.00 0.00 H new ATOM 17 N GLU A 2 -2.918 9.804 -6.625 1.00 0.00 N ATOM 18 CA GLU A 2 -2.186 9.679 -5.333 1.00 0.00 C ATOM 19 C GLU A 2 -2.663 8.427 -4.596 1.00 0.00 C ATOM 20 O GLU A 2 -3.803 8.021 -4.706 1.00 0.00 O ATOM 21 CB GLU A 2 -2.453 10.913 -4.472 1.00 0.00 C ATOM 22 CG GLU A 2 -1.825 10.718 -3.091 1.00 0.00 C ATOM 23 CD GLU A 2 -2.408 11.743 -2.115 1.00 0.00 C ATOM 24 OE1 GLU A 2 -3.610 11.718 -1.910 1.00 0.00 O ATOM 25 OE2 GLU A 2 -1.642 12.533 -1.590 1.00 0.00 O ATOM 0 H GLU A 2 -3.850 9.390 -6.638 1.00 0.00 H new ATOM 0 HA GLU A 2 -1.117 9.600 -5.528 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -2.037 11.800 -4.950 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -3.526 11.077 -4.375 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -2.018 9.707 -2.732 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -0.743 10.833 -3.152 1.00 0.00 H new ATOM 32 N PHE A 3 -1.790 7.809 -3.853 1.00 0.00 N ATOM 33 CA PHE A 3 -2.164 6.578 -3.112 1.00 0.00 C ATOM 34 C PHE A 3 -1.413 6.596 -1.775 1.00 0.00 C ATOM 35 O PHE A 3 -0.669 7.512 -1.501 1.00 0.00 O ATOM 36 CB PHE A 3 -1.760 5.371 -3.984 1.00 0.00 C ATOM 37 CG PHE A 3 -1.273 4.235 -3.163 1.00 0.00 C ATOM 38 CD1 PHE A 3 -0.003 4.311 -2.627 1.00 0.00 C ATOM 39 CD2 PHE A 3 -2.058 3.099 -2.965 1.00 0.00 C ATOM 40 CE1 PHE A 3 0.498 3.257 -1.894 1.00 0.00 C ATOM 41 CE2 PHE A 3 -1.556 2.035 -2.237 1.00 0.00 C ATOM 42 CZ PHE A 3 -0.278 2.104 -1.701 1.00 0.00 C ATOM 0 H PHE A 3 -0.823 8.109 -3.727 1.00 0.00 H new ATOM 0 HA PHE A 3 -3.233 6.516 -2.907 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -2.616 5.049 -4.578 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -0.981 5.673 -4.684 1.00 0.00 H new ATOM 0 HD1 PHE A 3 0.597 5.195 -2.782 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -3.054 3.050 -3.379 1.00 0.00 H new ATOM 0 HE1 PHE A 3 1.488 3.318 -1.468 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -2.158 1.151 -2.086 1.00 0.00 H new ATOM 0 HZ PHE A 3 0.118 1.273 -1.137 1.00 0.00 H new ATOM 52 N LEU A 4 -1.604 5.611 -0.938 1.00 0.00 N ATOM 53 CA LEU A 4 -0.890 5.614 0.377 1.00 0.00 C ATOM 54 C LEU A 4 0.610 5.493 0.158 1.00 0.00 C ATOM 55 O LEU A 4 1.172 4.423 0.267 1.00 0.00 O ATOM 56 CB LEU A 4 -1.341 4.436 1.242 1.00 0.00 C ATOM 57 CG LEU A 4 -2.845 4.309 1.200 1.00 0.00 C ATOM 58 CD1 LEU A 4 -3.158 2.848 0.915 1.00 0.00 C ATOM 59 CD2 LEU A 4 -3.418 4.732 2.553 1.00 0.00 C ATOM 0 H LEU A 4 -2.216 4.812 -1.103 1.00 0.00 H new ATOM 0 HA LEU A 4 -1.126 6.552 0.880 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -0.880 3.515 0.885 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -1.009 4.581 2.270 1.00 0.00 H new ATOM 0 HG LEU A 4 -3.285 4.944 0.432 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -4.238 2.708 0.876 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -2.720 2.562 -0.041 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -2.740 2.225 1.706 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -4.504 4.643 2.532 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -3.017 4.088 3.335 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -3.142 5.767 2.758 1.00 0.00 H new ATOM 71 N GLU A 5 1.282 6.576 -0.099 1.00 0.00 N ATOM 72 CA GLU A 5 2.747 6.481 -0.269 1.00 0.00 C ATOM 73 C GLU A 5 3.312 5.914 1.035 1.00 0.00 C ATOM 74 O GLU A 5 4.406 5.390 1.087 1.00 0.00 O ATOM 75 CB GLU A 5 3.325 7.863 -0.571 1.00 0.00 C ATOM 76 CG GLU A 5 2.789 8.359 -1.925 1.00 0.00 C ATOM 77 CD GLU A 5 1.423 9.021 -1.726 1.00 0.00 C ATOM 78 OE1 GLU A 5 1.160 9.470 -0.623 1.00 0.00 O ATOM 79 OE2 GLU A 5 0.664 9.067 -2.680 1.00 0.00 O ATOM 0 H GLU A 5 0.884 7.510 -0.197 1.00 0.00 H new ATOM 0 HA GLU A 5 3.011 5.832 -1.104 1.00 0.00 H new ATOM 0 HB2 GLU A 5 3.052 8.563 0.219 1.00 0.00 H new ATOM 0 HB3 GLU A 5 4.414 7.816 -0.594 1.00 0.00 H new ATOM 0 HG2 GLU A 5 3.488 9.070 -2.366 1.00 0.00 H new ATOM 0 HG3 GLU A 5 2.702 7.524 -2.621 1.00 0.00 H new ATOM 86 N ASP A 6 2.531 5.987 2.082 1.00 0.00 N ATOM 87 CA ASP A 6 2.946 5.435 3.392 1.00 0.00 C ATOM 88 C ASP A 6 1.682 4.965 4.114 1.00 0.00 C ATOM 89 O ASP A 6 1.112 5.701 4.894 1.00 0.00 O ATOM 90 CB ASP A 6 3.646 6.517 4.222 1.00 0.00 C ATOM 91 CG ASP A 6 5.121 6.150 4.391 1.00 0.00 C ATOM 92 OD1 ASP A 6 5.835 6.172 3.402 1.00 0.00 O ATOM 93 OD2 ASP A 6 5.512 5.852 5.508 1.00 0.00 O ATOM 0 H ASP A 6 1.606 6.416 2.077 1.00 0.00 H new ATOM 0 HA ASP A 6 3.643 4.608 3.254 1.00 0.00 H new ATOM 0 HB2 ASP A 6 3.555 7.485 3.730 1.00 0.00 H new ATOM 0 HB3 ASP A 6 3.168 6.609 5.197 1.00 0.00 H new ATOM 98 N PRO A 7 1.275 3.752 3.815 1.00 0.00 N ATOM 99 CA PRO A 7 0.069 3.142 4.410 1.00 0.00 C ATOM 100 C PRO A 7 0.367 2.669 5.842 1.00 0.00 C ATOM 101 O PRO A 7 0.316 1.491 6.134 1.00 0.00 O ATOM 102 CB PRO A 7 -0.231 1.948 3.500 1.00 0.00 C ATOM 103 CG PRO A 7 1.088 1.611 2.781 1.00 0.00 C ATOM 104 CD PRO A 7 1.983 2.871 2.858 1.00 0.00 C ATOM 0 HA PRO A 7 -0.769 3.836 4.478 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -0.586 1.096 4.080 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.014 2.193 2.782 1.00 0.00 H new ATOM 0 HG2 PRO A 7 1.579 0.761 3.255 1.00 0.00 H new ATOM 0 HG3 PRO A 7 0.901 1.334 1.743 1.00 0.00 H new ATOM 0 HD2 PRO A 7 2.987 2.628 3.206 1.00 0.00 H new ATOM 0 HD3 PRO A 7 2.090 3.345 1.882 1.00 0.00 H new ATOM 112 N SER A 8 0.675 3.569 6.735 1.00 0.00 N ATOM 113 CA SER A 8 0.972 3.155 8.135 1.00 0.00 C ATOM 114 C SER A 8 -0.195 3.539 9.050 1.00 0.00 C ATOM 115 O SER A 8 -0.046 3.628 10.253 1.00 0.00 O ATOM 116 CB SER A 8 2.245 3.855 8.614 1.00 0.00 C ATOM 117 OG SER A 8 3.293 2.905 8.732 1.00 0.00 O ATOM 0 H SER A 8 0.734 4.571 6.556 1.00 0.00 H new ATOM 0 HA SER A 8 1.113 2.075 8.167 1.00 0.00 H new ATOM 0 HB2 SER A 8 2.528 4.639 7.911 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.068 4.338 9.575 1.00 0.00 H new ATOM 0 HG SER A 8 4.109 3.354 9.037 1.00 0.00 H new ATOM 123 N VAL A 9 -1.354 3.769 8.495 1.00 0.00 N ATOM 124 CA VAL A 9 -2.522 4.148 9.346 1.00 0.00 C ATOM 125 C VAL A 9 -3.756 3.327 8.947 1.00 0.00 C ATOM 126 O VAL A 9 -4.569 2.975 9.777 1.00 0.00 O ATOM 127 CB VAL A 9 -2.819 5.639 9.175 1.00 0.00 C ATOM 128 CG1 VAL A 9 -1.710 6.455 9.842 1.00 0.00 C ATOM 129 CG2 VAL A 9 -2.878 5.986 7.689 1.00 0.00 C ATOM 0 H VAL A 9 -1.544 3.712 7.494 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.282 3.942 10.389 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.778 5.872 9.638 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.918 7.518 9.722 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.667 6.211 10.903 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.753 6.218 9.376 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.090 7.049 7.572 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.921 5.753 7.223 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.666 5.404 7.210 1.00 0.00 H new ATOM 139 N LEU A 10 -3.902 3.019 7.687 1.00 0.00 N ATOM 140 CA LEU A 10 -5.091 2.218 7.252 1.00 0.00 C ATOM 141 C LEU A 10 -5.105 0.880 7.984 1.00 0.00 C ATOM 142 O LEU A 10 -5.803 0.722 8.966 1.00 0.00 O ATOM 143 CB LEU A 10 -5.113 1.983 5.700 1.00 0.00 C ATOM 144 CG LEU A 10 -3.753 2.358 5.061 1.00 0.00 C ATOM 145 CD1 LEU A 10 -2.621 1.526 5.666 1.00 0.00 C ATOM 146 CD2 LEU A 10 -3.772 2.101 3.553 1.00 0.00 C ATOM 0 H LEU A 10 -3.257 3.283 6.942 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.984 2.789 7.505 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.341 0.938 5.490 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.907 2.579 5.250 1.00 0.00 H new ATOM 0 HG LEU A 10 -3.586 3.417 5.258 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.675 1.806 5.202 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.568 1.710 6.739 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.812 0.468 5.489 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.806 2.372 3.126 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.968 1.045 3.366 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -4.555 2.703 3.091 1.00 0.00 H new ATOM 158 N THR A 11 -4.386 -0.093 7.497 1.00 0.00 N ATOM 159 CA THR A 11 -4.395 -1.437 8.101 1.00 0.00 C ATOM 160 C THR A 11 -3.993 -2.394 7.002 1.00 0.00 C ATOM 161 O THR A 11 -3.755 -1.988 5.886 1.00 0.00 O ATOM 162 CB THR A 11 -5.817 -1.766 8.515 1.00 0.00 C ATOM 163 OG1 THR A 11 -5.969 -3.170 8.660 1.00 0.00 O ATOM 164 CG2 THR A 11 -6.776 -1.243 7.430 1.00 0.00 C ATOM 0 H THR A 11 -3.779 -0.001 6.683 1.00 0.00 H new ATOM 0 HA THR A 11 -3.731 -1.499 8.963 1.00 0.00 H new ATOM 0 HB THR A 11 -6.043 -1.294 9.471 1.00 0.00 H new ATOM 0 HG1 THR A 11 -6.889 -3.373 8.929 1.00 0.00 H new ATOM 0 HG21 THR A 11 -7.804 -1.471 7.712 1.00 0.00 H new ATOM 0 HG22 THR A 11 -6.658 -0.164 7.330 1.00 0.00 H new ATOM 0 HG23 THR A 11 -6.546 -1.723 6.479 1.00 0.00 H new ATOM 172 N LYS A 12 -3.939 -3.652 7.270 1.00 0.00 N ATOM 173 CA LYS A 12 -3.580 -4.576 6.175 1.00 0.00 C ATOM 174 C LYS A 12 -4.851 -4.959 5.409 1.00 0.00 C ATOM 175 O LYS A 12 -4.865 -5.908 4.662 1.00 0.00 O ATOM 176 CB LYS A 12 -2.915 -5.837 6.738 1.00 0.00 C ATOM 177 CG LYS A 12 -1.580 -6.071 6.038 1.00 0.00 C ATOM 178 CD LYS A 12 -0.479 -5.599 6.990 1.00 0.00 C ATOM 179 CE LYS A 12 -0.231 -6.652 8.078 1.00 0.00 C ATOM 180 NZ LYS A 12 0.380 -5.996 9.269 1.00 0.00 N ATOM 0 H LYS A 12 -4.123 -4.079 8.178 1.00 0.00 H new ATOM 0 HA LYS A 12 -2.876 -4.083 5.504 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -2.760 -5.729 7.811 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -3.567 -6.698 6.595 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -1.453 -7.126 5.796 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -1.537 -5.521 5.098 1.00 0.00 H new ATOM 0 HD2 LYS A 12 0.440 -5.418 6.433 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -0.766 -4.653 7.448 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -1.169 -7.133 8.355 1.00 0.00 H new ATOM 0 HE3 LYS A 12 0.429 -7.433 7.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 0.440 -6.681 10.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 1.334 -5.660 9.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -0.208 -5.189 9.561 1.00 0.00 H new ATOM 194 N ASP A 13 -5.926 -4.236 5.603 1.00 0.00 N ATOM 195 CA ASP A 13 -7.195 -4.585 4.890 1.00 0.00 C ATOM 196 C ASP A 13 -7.707 -3.411 4.043 1.00 0.00 C ATOM 197 O ASP A 13 -8.528 -3.596 3.166 1.00 0.00 O ATOM 198 CB ASP A 13 -8.262 -4.964 5.921 1.00 0.00 C ATOM 199 CG ASP A 13 -9.050 -6.175 5.418 1.00 0.00 C ATOM 200 OD1 ASP A 13 -9.965 -5.979 4.636 1.00 0.00 O ATOM 201 OD2 ASP A 13 -8.725 -7.279 5.825 1.00 0.00 O ATOM 0 H ASP A 13 -5.981 -3.425 6.219 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.991 -5.422 4.223 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.793 -5.194 6.878 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -8.935 -4.123 6.090 1.00 0.00 H new ATOM 206 N LYS A 14 -7.241 -2.213 4.270 1.00 0.00 N ATOM 207 CA LYS A 14 -7.720 -1.074 3.452 1.00 0.00 C ATOM 208 C LYS A 14 -6.749 -0.891 2.296 1.00 0.00 C ATOM 209 O LYS A 14 -7.121 -0.937 1.140 1.00 0.00 O ATOM 210 CB LYS A 14 -7.729 0.172 4.319 1.00 0.00 C ATOM 211 CG LYS A 14 -8.540 1.293 3.662 1.00 0.00 C ATOM 212 CD LYS A 14 -8.048 1.556 2.239 1.00 0.00 C ATOM 213 CE LYS A 14 -6.581 1.963 2.302 1.00 0.00 C ATOM 214 NZ LYS A 14 -6.534 3.398 2.712 1.00 0.00 N ATOM 0 H LYS A 14 -6.552 -1.979 4.985 1.00 0.00 H new ATOM 0 HA LYS A 14 -8.725 -1.255 3.070 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -8.152 -0.063 5.296 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.706 0.509 4.488 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -9.595 1.021 3.642 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -8.457 2.204 4.255 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -8.167 0.663 1.626 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.640 2.344 1.773 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -6.040 1.342 3.016 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.102 1.825 1.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -6.221 3.979 1.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -7.481 3.705 3.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.867 3.512 3.502 1.00 0.00 H new ATOM 228 N LEU A 15 -5.506 -0.681 2.612 1.00 0.00 N ATOM 229 CA LEU A 15 -4.472 -0.490 1.552 1.00 0.00 C ATOM 230 C LEU A 15 -4.769 -1.417 0.379 1.00 0.00 C ATOM 231 O LEU A 15 -4.430 -1.130 -0.749 1.00 0.00 O ATOM 232 CB LEU A 15 -3.067 -0.810 2.084 1.00 0.00 C ATOM 233 CG LEU A 15 -3.141 -1.463 3.467 1.00 0.00 C ATOM 234 CD1 LEU A 15 -4.038 -2.693 3.429 1.00 0.00 C ATOM 235 CD2 LEU A 15 -1.741 -1.883 3.894 1.00 0.00 C ATOM 0 H LEU A 15 -5.154 -0.632 3.568 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.502 0.553 1.235 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.554 -1.476 1.390 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.478 0.106 2.141 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.555 -0.745 4.175 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.079 -3.144 4.420 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.042 -2.402 3.121 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.636 -3.415 2.718 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.785 -2.349 4.878 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.339 -2.595 3.173 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.095 -1.006 3.937 1.00 0.00 H new ATOM 247 N LYS A 16 -5.409 -2.527 0.633 1.00 0.00 N ATOM 248 CA LYS A 16 -5.732 -3.459 -0.452 1.00 0.00 C ATOM 249 C LYS A 16 -6.910 -2.892 -1.237 1.00 0.00 C ATOM 250 O LYS A 16 -6.867 -2.754 -2.444 1.00 0.00 O ATOM 251 CB LYS A 16 -6.062 -4.819 0.178 1.00 0.00 C ATOM 252 CG LYS A 16 -7.561 -4.976 0.476 1.00 0.00 C ATOM 253 CD LYS A 16 -7.880 -6.451 0.675 1.00 0.00 C ATOM 254 CE LYS A 16 -8.190 -6.716 2.147 1.00 0.00 C ATOM 255 NZ LYS A 16 -8.376 -8.180 2.359 1.00 0.00 N ATOM 0 H LYS A 16 -5.719 -2.819 1.560 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.899 -3.591 -1.142 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.742 -5.615 -0.494 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.496 -4.936 1.102 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.828 -4.410 1.369 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.152 -4.572 -0.346 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.732 -6.736 0.057 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.036 -7.062 0.355 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -7.378 -6.347 2.773 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.090 -6.177 2.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -9.327 -8.357 2.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -8.268 -8.678 1.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -7.663 -8.527 3.032 1.00 0.00 H new ATOM 269 N SER A 17 -7.951 -2.554 -0.543 1.00 0.00 N ATOM 270 CA SER A 17 -9.150 -1.975 -1.206 1.00 0.00 C ATOM 271 C SER A 17 -8.699 -0.976 -2.262 1.00 0.00 C ATOM 272 O SER A 17 -9.202 -0.944 -3.367 1.00 0.00 O ATOM 273 CB SER A 17 -9.992 -1.250 -0.171 1.00 0.00 C ATOM 274 OG SER A 17 -10.597 -0.109 -0.758 1.00 0.00 O ATOM 0 H SER A 17 -8.027 -2.654 0.469 1.00 0.00 H new ATOM 0 HA SER A 17 -9.735 -2.770 -1.669 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.759 -1.919 0.221 1.00 0.00 H new ATOM 0 HB3 SER A 17 -9.370 -0.950 0.672 1.00 0.00 H new ATOM 0 HG SER A 17 -10.271 0.700 -0.312 1.00 0.00 H new ATOM 280 N GLU A 18 -7.748 -0.160 -1.921 1.00 0.00 N ATOM 281 CA GLU A 18 -7.247 0.845 -2.885 1.00 0.00 C ATOM 282 C GLU A 18 -6.407 0.142 -3.955 1.00 0.00 C ATOM 283 O GLU A 18 -6.683 0.263 -5.130 1.00 0.00 O ATOM 284 CB GLU A 18 -6.400 1.869 -2.141 1.00 0.00 C ATOM 285 CG GLU A 18 -7.054 2.201 -0.790 1.00 0.00 C ATOM 286 CD GLU A 18 -8.524 2.561 -1.012 1.00 0.00 C ATOM 287 OE1 GLU A 18 -8.791 3.360 -1.895 1.00 0.00 O ATOM 288 OE2 GLU A 18 -9.358 2.033 -0.296 1.00 0.00 O ATOM 0 H GLU A 18 -7.294 -0.147 -1.008 1.00 0.00 H new ATOM 0 HA GLU A 18 -8.083 1.353 -3.366 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.395 1.478 -1.983 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.299 2.775 -2.739 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.975 1.348 -0.116 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.532 3.032 -0.315 1.00 0.00 H new ATOM 295 N LEU A 19 -5.385 -0.585 -3.554 1.00 0.00 N ATOM 296 CA LEU A 19 -4.524 -1.307 -4.546 1.00 0.00 C ATOM 297 C LEU A 19 -5.374 -1.765 -5.736 1.00 0.00 C ATOM 298 O LEU A 19 -4.928 -1.769 -6.864 1.00 0.00 O ATOM 299 CB LEU A 19 -3.880 -2.535 -3.886 1.00 0.00 C ATOM 300 CG LEU A 19 -2.552 -2.137 -3.257 1.00 0.00 C ATOM 301 CD1 LEU A 19 -2.376 -2.837 -1.909 1.00 0.00 C ATOM 302 CD2 LEU A 19 -1.454 -2.615 -4.173 1.00 0.00 C ATOM 0 H LEU A 19 -5.112 -0.708 -2.579 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.744 -0.629 -4.892 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.546 -2.944 -3.126 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.723 -3.319 -4.627 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.522 -1.057 -3.112 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.423 -2.545 -1.469 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.188 -2.549 -1.241 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.392 -3.917 -2.055 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.486 -2.346 -3.752 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.515 -3.698 -4.280 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.567 -2.147 -5.151 1.00 0.00 H new ATOM 314 N VAL A 20 -6.600 -2.134 -5.488 1.00 0.00 N ATOM 315 CA VAL A 20 -7.490 -2.575 -6.600 1.00 0.00 C ATOM 316 C VAL A 20 -7.918 -1.347 -7.408 1.00 0.00 C ATOM 317 O VAL A 20 -7.774 -1.297 -8.614 1.00 0.00 O ATOM 318 CB VAL A 20 -8.731 -3.258 -6.013 1.00 0.00 C ATOM 319 CG1 VAL A 20 -9.822 -3.359 -7.085 1.00 0.00 C ATOM 320 CG2 VAL A 20 -8.361 -4.659 -5.536 1.00 0.00 C ATOM 0 H VAL A 20 -7.026 -2.149 -4.561 1.00 0.00 H new ATOM 0 HA VAL A 20 -6.961 -3.276 -7.246 1.00 0.00 H new ATOM 0 HB VAL A 20 -9.102 -2.670 -5.173 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -10.702 -3.845 -6.664 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.089 -2.359 -7.428 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.452 -3.945 -7.927 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -9.242 -5.146 -5.118 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.988 -5.243 -6.377 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -7.588 -4.590 -4.771 1.00 0.00 H new ATOM 330 N ALA A 21 -8.446 -0.360 -6.742 1.00 0.00 N ATOM 331 CA ALA A 21 -8.897 0.876 -7.439 1.00 0.00 C ATOM 332 C ALA A 21 -7.720 1.542 -8.153 1.00 0.00 C ATOM 333 O ALA A 21 -7.895 2.451 -8.941 1.00 0.00 O ATOM 334 CB ALA A 21 -9.449 1.849 -6.399 1.00 0.00 C ATOM 0 H ALA A 21 -8.586 -0.357 -5.732 1.00 0.00 H new ATOM 0 HA ALA A 21 -9.661 0.616 -8.172 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.784 2.760 -6.895 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.290 1.389 -5.880 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.668 2.094 -5.679 1.00 0.00 H new ATOM 340 N ASN A 22 -6.522 1.129 -7.860 1.00 0.00 N ATOM 341 CA ASN A 22 -5.340 1.772 -8.496 1.00 0.00 C ATOM 342 C ASN A 22 -4.804 0.910 -9.645 1.00 0.00 C ATOM 343 O ASN A 22 -4.869 1.298 -10.794 1.00 0.00 O ATOM 344 CB ASN A 22 -4.283 1.980 -7.408 1.00 0.00 C ATOM 345 CG ASN A 22 -4.959 2.763 -6.272 1.00 0.00 C ATOM 346 OD1 ASN A 22 -5.429 3.860 -6.491 1.00 0.00 O ATOM 347 ND2 ASN A 22 -5.037 2.261 -5.064 1.00 0.00 N ATOM 0 H ASN A 22 -6.309 0.374 -7.208 1.00 0.00 H new ATOM 0 HA ASN A 22 -5.615 2.733 -8.931 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -3.907 1.023 -7.047 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -3.428 2.530 -7.801 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.489 2.792 -4.319 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -4.645 1.340 -4.868 1.00 0.00 H new ATOM 354 N ASN A 23 -4.279 -0.249 -9.362 1.00 0.00 N ATOM 355 CA ASN A 23 -3.754 -1.104 -10.469 1.00 0.00 C ATOM 356 C ASN A 23 -3.083 -2.349 -9.891 1.00 0.00 C ATOM 357 O ASN A 23 -1.977 -2.697 -10.257 1.00 0.00 O ATOM 358 CB ASN A 23 -2.732 -0.309 -11.285 1.00 0.00 C ATOM 359 CG ASN A 23 -2.935 -0.593 -12.775 1.00 0.00 C ATOM 360 OD1 ASN A 23 -2.601 0.223 -13.611 1.00 0.00 O ATOM 361 ND2 ASN A 23 -3.471 -1.724 -13.145 1.00 0.00 N ATOM 0 H ASN A 23 -4.190 -0.640 -8.424 1.00 0.00 H new ATOM 0 HA ASN A 23 -4.581 -1.407 -11.111 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -2.845 0.757 -11.089 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -1.720 -0.583 -10.986 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -3.609 -1.923 -14.136 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -3.751 -2.409 -12.443 1.00 0.00 H new ATOM 368 N VAL A 24 -3.739 -3.021 -8.988 1.00 0.00 N ATOM 369 CA VAL A 24 -3.139 -4.236 -8.380 1.00 0.00 C ATOM 370 C VAL A 24 -4.255 -5.216 -8.010 1.00 0.00 C ATOM 371 O VAL A 24 -5.168 -4.877 -7.283 1.00 0.00 O ATOM 372 CB VAL A 24 -2.386 -3.818 -7.121 1.00 0.00 C ATOM 373 CG1 VAL A 24 -1.369 -4.896 -6.741 1.00 0.00 C ATOM 374 CG2 VAL A 24 -1.652 -2.501 -7.381 1.00 0.00 C ATOM 0 H VAL A 24 -4.668 -2.779 -8.645 1.00 0.00 H new ATOM 0 HA VAL A 24 -2.457 -4.718 -9.081 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.097 -3.689 -6.305 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.835 -4.591 -5.841 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.888 -5.836 -6.554 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.659 -5.030 -7.557 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -1.113 -2.201 -6.482 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.945 -2.634 -8.200 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.374 -1.728 -7.646 1.00 0.00 H new ATOM 384 N THR A 25 -4.198 -6.428 -8.498 1.00 0.00 N ATOM 385 CA THR A 25 -5.264 -7.403 -8.159 1.00 0.00 C ATOM 386 C THR A 25 -5.049 -7.909 -6.735 1.00 0.00 C ATOM 387 O THR A 25 -3.978 -7.782 -6.174 1.00 0.00 O ATOM 388 CB THR A 25 -5.216 -8.583 -9.120 1.00 0.00 C ATOM 389 OG1 THR A 25 -4.043 -8.507 -9.916 1.00 0.00 O ATOM 390 CG2 THR A 25 -6.453 -8.567 -10.019 1.00 0.00 C ATOM 0 H THR A 25 -3.463 -6.778 -9.112 1.00 0.00 H new ATOM 0 HA THR A 25 -6.235 -6.913 -8.239 1.00 0.00 H new ATOM 0 HB THR A 25 -5.200 -9.511 -8.548 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.015 -9.269 -10.532 1.00 0.00 H new ATOM 0 HG21 THR A 25 -6.415 -9.413 -10.705 1.00 0.00 H new ATOM 0 HG22 THR A 25 -7.350 -8.638 -9.404 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.477 -7.638 -10.589 1.00 0.00 H new ATOM 398 N LEU A 26 -6.063 -8.472 -6.142 1.00 0.00 N ATOM 399 CA LEU A 26 -5.926 -8.977 -4.744 1.00 0.00 C ATOM 400 C LEU A 26 -6.037 -10.510 -4.759 1.00 0.00 C ATOM 401 O LEU A 26 -7.109 -11.044 -4.958 1.00 0.00 O ATOM 402 CB LEU A 26 -7.055 -8.407 -3.863 1.00 0.00 C ATOM 403 CG LEU A 26 -7.100 -6.869 -3.850 1.00 0.00 C ATOM 404 CD1 LEU A 26 -6.853 -6.333 -2.441 1.00 0.00 C ATOM 405 CD2 LEU A 26 -6.082 -6.239 -4.797 1.00 0.00 C ATOM 0 H LEU A 26 -6.982 -8.606 -6.563 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.962 -8.666 -4.341 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -8.012 -8.788 -4.219 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.928 -8.768 -2.843 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.098 -6.594 -4.191 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -6.889 -5.244 -2.455 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -7.621 -6.713 -1.767 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.872 -6.659 -2.094 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.160 -5.153 -4.745 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.077 -6.545 -4.506 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.281 -6.569 -5.817 1.00 0.00 H new ATOM 417 N PRO A 27 -4.924 -11.174 -4.563 1.00 0.00 N ATOM 418 CA PRO A 27 -4.869 -12.647 -4.565 1.00 0.00 C ATOM 419 C PRO A 27 -5.370 -13.232 -3.236 1.00 0.00 C ATOM 420 O PRO A 27 -6.457 -13.767 -3.155 1.00 0.00 O ATOM 421 CB PRO A 27 -3.374 -12.942 -4.751 1.00 0.00 C ATOM 422 CG PRO A 27 -2.617 -11.686 -4.268 1.00 0.00 C ATOM 423 CD PRO A 27 -3.620 -10.522 -4.325 1.00 0.00 C ATOM 0 HA PRO A 27 -5.501 -13.088 -5.336 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.077 -13.819 -4.176 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.147 -13.154 -5.796 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -2.242 -11.825 -3.254 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -1.754 -11.486 -4.903 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -3.623 -9.954 -3.395 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -3.373 -9.823 -5.124 1.00 0.00 H new ATOM 431 N ALA A 28 -4.567 -13.158 -2.207 1.00 0.00 N ATOM 432 CA ALA A 28 -4.963 -13.728 -0.880 1.00 0.00 C ATOM 433 C ALA A 28 -6.451 -13.537 -0.617 1.00 0.00 C ATOM 434 O ALA A 28 -7.093 -14.375 -0.014 1.00 0.00 O ATOM 435 CB ALA A 28 -4.194 -13.014 0.245 1.00 0.00 C ATOM 0 H ALA A 28 -3.644 -12.723 -2.227 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.730 -14.793 -0.900 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.486 -13.433 1.208 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.123 -13.153 0.099 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -4.427 -11.949 0.226 1.00 0.00 H new ATOM 441 N GLY A 29 -6.991 -12.414 -0.987 1.00 0.00 N ATOM 442 CA GLY A 29 -8.417 -12.143 -0.662 1.00 0.00 C ATOM 443 C GLY A 29 -8.375 -11.441 0.691 1.00 0.00 C ATOM 444 O GLY A 29 -8.910 -10.367 0.881 1.00 0.00 O ATOM 0 H GLY A 29 -6.510 -11.674 -1.498 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.884 -11.515 -1.420 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -8.995 -13.066 -0.612 1.00 0.00 H new ATOM 448 N GLU A 30 -7.655 -12.034 1.607 1.00 0.00 N ATOM 449 CA GLU A 30 -7.448 -11.431 2.938 1.00 0.00 C ATOM 450 C GLU A 30 -5.980 -10.997 2.973 1.00 0.00 C ATOM 451 O GLU A 30 -5.452 -10.539 1.988 1.00 0.00 O ATOM 452 CB GLU A 30 -7.721 -12.467 4.032 1.00 0.00 C ATOM 453 CG GLU A 30 -8.209 -11.757 5.296 1.00 0.00 C ATOM 454 CD GLU A 30 -9.359 -12.555 5.915 1.00 0.00 C ATOM 455 OE1 GLU A 30 -9.506 -13.714 5.566 1.00 0.00 O ATOM 456 OE2 GLU A 30 -10.072 -11.992 6.731 1.00 0.00 O ATOM 0 H GLU A 30 -7.194 -12.934 1.475 1.00 0.00 H new ATOM 0 HA GLU A 30 -8.120 -10.590 3.111 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.470 -13.182 3.692 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.814 -13.033 4.247 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.392 -11.661 6.011 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.541 -10.747 5.054 1.00 0.00 H new ATOM 463 N GLN A 31 -5.297 -11.175 4.061 1.00 0.00 N ATOM 464 CA GLN A 31 -3.859 -10.781 4.094 1.00 0.00 C ATOM 465 C GLN A 31 -3.010 -12.025 4.299 1.00 0.00 C ATOM 466 O GLN A 31 -3.288 -12.881 5.115 1.00 0.00 O ATOM 467 CB GLN A 31 -3.587 -9.740 5.214 1.00 0.00 C ATOM 468 CG GLN A 31 -4.134 -8.357 4.842 1.00 0.00 C ATOM 469 CD GLN A 31 -5.654 -8.415 4.658 1.00 0.00 C ATOM 470 OE1 GLN A 31 -6.219 -7.625 3.933 1.00 0.00 O ATOM 471 NE2 GLN A 31 -6.349 -9.305 5.313 1.00 0.00 N ATOM 0 H GLN A 31 -5.663 -11.573 4.926 1.00 0.00 H new ATOM 0 HA GLN A 31 -3.597 -10.312 3.146 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -4.047 -10.076 6.144 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -2.514 -9.671 5.395 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -3.883 -7.638 5.622 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -3.663 -8.008 3.923 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -5.877 -9.972 5.924 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -7.364 -9.334 5.214 1.00 0.00 H new ATOM 480 N ARG A 32 -1.985 -12.116 3.517 1.00 0.00 N ATOM 481 CA ARG A 32 -1.069 -13.256 3.543 1.00 0.00 C ATOM 482 C ARG A 32 -0.064 -13.064 4.681 1.00 0.00 C ATOM 483 O ARG A 32 0.163 -13.943 5.490 1.00 0.00 O ATOM 484 CB ARG A 32 -0.376 -13.211 2.177 1.00 0.00 C ATOM 485 CG ARG A 32 -1.058 -14.158 1.184 1.00 0.00 C ATOM 486 CD ARG A 32 -1.163 -13.474 -0.192 1.00 0.00 C ATOM 487 NE ARG A 32 0.205 -13.206 -0.718 1.00 0.00 N ATOM 488 CZ ARG A 32 0.554 -13.658 -1.891 1.00 0.00 C ATOM 489 NH1 ARG A 32 0.676 -12.835 -2.897 1.00 0.00 N ATOM 490 NH2 ARG A 32 0.779 -14.932 -2.059 1.00 0.00 N ATOM 0 H ARG A 32 -1.740 -11.405 2.828 1.00 0.00 H new ATOM 0 HA ARG A 32 -1.563 -14.213 3.713 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -0.397 -12.193 1.788 1.00 0.00 H new ATOM 0 HB3 ARG A 32 0.672 -13.488 2.288 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -0.489 -15.084 1.099 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -2.051 -14.426 1.545 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.713 -14.110 -0.885 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -1.720 -12.541 -0.105 1.00 0.00 H new ATOM 0 HE ARG A 32 0.869 -12.669 -0.161 1.00 0.00 H new ATOM 0 HH11 ARG A 32 0.499 -11.839 -2.766 1.00 0.00 H new ATOM 0 HH12 ARG A 32 0.949 -13.188 -3.814 1.00 0.00 H new ATOM 0 HH21 ARG A 32 0.682 -15.575 -1.273 1.00 0.00 H new ATOM 0 HH22 ARG A 32 1.052 -15.285 -2.976 1.00 0.00 H new ATOM 504 N LYS A 33 0.521 -11.909 4.745 1.00 0.00 N ATOM 505 CA LYS A 33 1.506 -11.597 5.815 1.00 0.00 C ATOM 506 C LYS A 33 2.013 -10.189 5.539 1.00 0.00 C ATOM 507 O LYS A 33 3.011 -10.005 4.872 1.00 0.00 O ATOM 508 CB LYS A 33 2.669 -12.591 5.762 1.00 0.00 C ATOM 509 CG LYS A 33 3.344 -12.659 7.132 1.00 0.00 C ATOM 510 CD LYS A 33 2.308 -13.032 8.194 1.00 0.00 C ATOM 511 CE LYS A 33 2.977 -13.862 9.291 1.00 0.00 C ATOM 512 NZ LYS A 33 2.166 -13.783 10.539 1.00 0.00 N ATOM 0 H LYS A 33 0.356 -11.148 4.086 1.00 0.00 H new ATOM 0 HA LYS A 33 1.051 -11.667 6.803 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.305 -13.578 5.474 1.00 0.00 H new ATOM 0 HB3 LYS A 33 3.390 -12.284 5.004 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.147 -13.396 7.117 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.798 -11.698 7.374 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.870 -12.130 8.622 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.494 -13.598 7.740 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.071 -14.900 8.971 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.986 -13.493 9.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.621 -14.347 11.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.099 -12.792 10.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.212 -14.155 10.357 1.00 0.00 H new ATOM 526 N ASP A 34 1.311 -9.184 5.987 1.00 0.00 N ATOM 527 CA ASP A 34 1.761 -7.808 5.663 1.00 0.00 C ATOM 528 C ASP A 34 1.937 -7.765 4.149 1.00 0.00 C ATOM 529 O ASP A 34 2.907 -7.245 3.635 1.00 0.00 O ATOM 530 CB ASP A 34 3.102 -7.517 6.352 1.00 0.00 C ATOM 531 CG ASP A 34 3.087 -6.095 6.918 1.00 0.00 C ATOM 532 OD1 ASP A 34 2.142 -5.765 7.614 1.00 0.00 O ATOM 533 OD2 ASP A 34 4.023 -5.362 6.646 1.00 0.00 O ATOM 0 H ASP A 34 0.464 -9.255 6.551 1.00 0.00 H new ATOM 0 HA ASP A 34 1.042 -7.063 6.005 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.276 -8.237 7.152 1.00 0.00 H new ATOM 0 HB3 ASP A 34 3.920 -7.628 5.640 1.00 0.00 H new ATOM 538 N VAL A 35 1.012 -8.357 3.434 1.00 0.00 N ATOM 539 CA VAL A 35 1.133 -8.402 1.957 1.00 0.00 C ATOM 540 C VAL A 35 0.509 -7.164 1.321 1.00 0.00 C ATOM 541 O VAL A 35 1.198 -6.391 0.714 1.00 0.00 O ATOM 542 CB VAL A 35 0.507 -9.698 1.431 1.00 0.00 C ATOM 543 CG1 VAL A 35 0.238 -9.579 -0.064 1.00 0.00 C ATOM 544 CG2 VAL A 35 1.517 -10.816 1.702 1.00 0.00 C ATOM 0 H VAL A 35 0.181 -8.809 3.816 1.00 0.00 H new ATOM 0 HA VAL A 35 2.187 -8.398 1.680 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.444 -9.904 1.922 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.207 -10.505 -0.428 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.447 -8.751 -0.246 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.176 -9.396 -0.589 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.115 -11.764 1.344 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.450 -10.597 1.182 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.706 -10.884 2.773 1.00 0.00 H new ATOM 554 N TYR A 36 -0.764 -6.921 1.454 1.00 0.00 N ATOM 555 CA TYR A 36 -1.308 -5.695 0.839 1.00 0.00 C ATOM 556 C TYR A 36 -0.416 -4.524 1.225 1.00 0.00 C ATOM 557 O TYR A 36 -0.344 -3.525 0.539 1.00 0.00 O ATOM 558 CB TYR A 36 -2.706 -5.460 1.362 1.00 0.00 C ATOM 559 CG TYR A 36 -3.612 -6.561 0.911 1.00 0.00 C ATOM 560 CD1 TYR A 36 -3.579 -7.032 -0.405 1.00 0.00 C ATOM 561 CD2 TYR A 36 -4.489 -7.109 1.829 1.00 0.00 C ATOM 562 CE1 TYR A 36 -4.438 -8.062 -0.793 1.00 0.00 C ATOM 563 CE2 TYR A 36 -5.345 -8.133 1.448 1.00 0.00 C ATOM 564 CZ TYR A 36 -5.324 -8.614 0.136 1.00 0.00 C ATOM 565 OH TYR A 36 -6.175 -9.633 -0.242 1.00 0.00 O ATOM 0 H TYR A 36 -1.434 -7.508 1.952 1.00 0.00 H new ATOM 0 HA TYR A 36 -1.340 -5.795 -0.246 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -2.693 -5.412 2.451 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -3.080 -4.501 1.005 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -2.892 -6.601 -1.118 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -4.508 -6.740 2.844 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -4.418 -8.431 -1.808 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -6.029 -8.559 2.167 1.00 0.00 H new ATOM 0 HH TYR A 36 -6.020 -10.417 0.326 1.00 0.00 H new ATOM 575 N VAL A 37 0.288 -4.657 2.314 1.00 0.00 N ATOM 576 CA VAL A 37 1.194 -3.576 2.736 1.00 0.00 C ATOM 577 C VAL A 37 2.455 -3.654 1.866 1.00 0.00 C ATOM 578 O VAL A 37 2.737 -2.776 1.075 1.00 0.00 O ATOM 579 CB VAL A 37 1.534 -3.762 4.217 1.00 0.00 C ATOM 580 CG1 VAL A 37 2.760 -2.917 4.571 1.00 0.00 C ATOM 581 CG2 VAL A 37 0.337 -3.312 5.065 1.00 0.00 C ATOM 0 H VAL A 37 0.269 -5.473 2.925 1.00 0.00 H new ATOM 0 HA VAL A 37 0.731 -2.597 2.613 1.00 0.00 H new ATOM 0 HB VAL A 37 1.752 -4.811 4.416 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.001 -3.050 5.626 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.607 -3.232 3.962 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.546 -1.866 4.378 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.571 -3.441 6.122 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.125 -2.262 4.866 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.536 -3.913 4.810 1.00 0.00 H new ATOM 591 N GLN A 38 3.197 -4.722 1.963 1.00 0.00 N ATOM 592 CA GLN A 38 4.404 -4.848 1.097 1.00 0.00 C ATOM 593 C GLN A 38 3.953 -4.623 -0.348 1.00 0.00 C ATOM 594 O GLN A 38 4.343 -3.666 -0.987 1.00 0.00 O ATOM 595 CB GLN A 38 5.002 -6.251 1.251 1.00 0.00 C ATOM 596 CG GLN A 38 6.416 -6.167 1.838 1.00 0.00 C ATOM 597 CD GLN A 38 6.445 -5.155 2.984 1.00 0.00 C ATOM 598 OE1 GLN A 38 6.690 -3.984 2.771 1.00 0.00 O ATOM 599 NE2 GLN A 38 6.208 -5.559 4.199 1.00 0.00 N ATOM 0 H GLN A 38 3.024 -5.504 2.595 1.00 0.00 H new ATOM 0 HA GLN A 38 5.165 -4.120 1.377 1.00 0.00 H new ATOM 0 HB2 GLN A 38 4.367 -6.855 1.900 1.00 0.00 H new ATOM 0 HB3 GLN A 38 5.033 -6.749 0.282 1.00 0.00 H new ATOM 0 HG2 GLN A 38 6.728 -7.147 2.199 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.124 -5.872 1.063 1.00 0.00 H new ATOM 0 HE21 GLN A 38 6.002 -6.542 4.379 1.00 0.00 H new ATOM 0 HE22 GLN A 38 6.228 -4.893 4.971 1.00 0.00 H new ATOM 608 N LEU A 39 3.109 -5.499 -0.839 1.00 0.00 N ATOM 609 CA LEU A 39 2.558 -5.370 -2.235 1.00 0.00 C ATOM 610 C LEU A 39 2.463 -3.888 -2.601 1.00 0.00 C ATOM 611 O LEU A 39 2.959 -3.451 -3.620 1.00 0.00 O ATOM 612 CB LEU A 39 1.142 -5.992 -2.294 1.00 0.00 C ATOM 613 CG LEU A 39 1.199 -7.366 -2.954 1.00 0.00 C ATOM 614 CD1 LEU A 39 -0.092 -8.124 -2.650 1.00 0.00 C ATOM 615 CD2 LEU A 39 1.325 -7.189 -4.464 1.00 0.00 C ATOM 0 H LEU A 39 2.770 -6.313 -0.326 1.00 0.00 H new ATOM 0 HA LEU A 39 3.215 -5.888 -2.933 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.733 -6.080 -1.287 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.473 -5.339 -2.854 1.00 0.00 H new ATOM 0 HG LEU A 39 2.054 -7.923 -2.571 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.056 -9.107 -3.120 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.200 -8.241 -1.572 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.942 -7.566 -3.041 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.366 -8.167 -4.943 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.463 -6.638 -4.839 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.236 -6.635 -4.691 1.00 0.00 H new ATOM 627 N TYR A 40 1.835 -3.110 -1.763 1.00 0.00 N ATOM 628 CA TYR A 40 1.702 -1.665 -2.028 1.00 0.00 C ATOM 629 C TYR A 40 3.069 -1.060 -2.376 1.00 0.00 C ATOM 630 O TYR A 40 3.245 -0.465 -3.413 1.00 0.00 O ATOM 631 CB TYR A 40 1.110 -1.014 -0.761 1.00 0.00 C ATOM 632 CG TYR A 40 2.022 0.074 -0.213 1.00 0.00 C ATOM 633 CD1 TYR A 40 2.309 1.210 -0.979 1.00 0.00 C ATOM 634 CD2 TYR A 40 2.584 -0.061 1.064 1.00 0.00 C ATOM 635 CE1 TYR A 40 3.142 2.209 -0.468 1.00 0.00 C ATOM 636 CE2 TYR A 40 3.418 0.939 1.569 1.00 0.00 C ATOM 637 CZ TYR A 40 3.689 2.076 0.805 1.00 0.00 C ATOM 638 OH TYR A 40 4.504 3.068 1.312 1.00 0.00 O ATOM 0 H TYR A 40 1.404 -3.427 -0.894 1.00 0.00 H new ATOM 0 HA TYR A 40 1.046 -1.485 -2.879 1.00 0.00 H new ATOM 0 HB2 TYR A 40 0.133 -0.589 -0.992 1.00 0.00 H new ATOM 0 HB3 TYR A 40 0.953 -1.777 0.002 1.00 0.00 H new ATOM 0 HD1 TYR A 40 1.886 1.315 -1.967 1.00 0.00 H new ATOM 0 HD2 TYR A 40 2.372 -0.938 1.657 1.00 0.00 H new ATOM 0 HE1 TYR A 40 3.361 3.085 -1.061 1.00 0.00 H new ATOM 0 HE2 TYR A 40 3.854 0.833 2.551 1.00 0.00 H new ATOM 0 HH TYR A 40 4.259 3.929 0.913 1.00 0.00 H new ATOM 648 N LEU A 41 4.030 -1.169 -1.504 1.00 0.00 N ATOM 649 CA LEU A 41 5.351 -0.549 -1.797 1.00 0.00 C ATOM 650 C LEU A 41 5.983 -1.187 -3.046 1.00 0.00 C ATOM 651 O LEU A 41 6.869 -0.625 -3.653 1.00 0.00 O ATOM 652 CB LEU A 41 6.273 -0.739 -0.584 1.00 0.00 C ATOM 653 CG LEU A 41 7.139 0.512 -0.363 1.00 0.00 C ATOM 654 CD1 LEU A 41 6.333 1.595 0.370 1.00 0.00 C ATOM 655 CD2 LEU A 41 8.359 0.136 0.482 1.00 0.00 C ATOM 0 H LEU A 41 3.960 -1.655 -0.610 1.00 0.00 H new ATOM 0 HA LEU A 41 5.213 0.515 -1.992 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.676 -0.937 0.306 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.912 -1.608 -0.739 1.00 0.00 H new ATOM 0 HG LEU A 41 7.457 0.899 -1.331 1.00 0.00 H new ATOM 0 HD11 LEU A 41 6.958 2.475 0.520 1.00 0.00 H new ATOM 0 HD12 LEU A 41 5.462 1.866 -0.226 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.006 1.213 1.337 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.977 1.019 0.642 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.029 -0.255 1.444 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.941 -0.625 -0.038 1.00 0.00 H new ATOM 667 N GLN A 42 5.549 -2.359 -3.428 1.00 0.00 N ATOM 668 CA GLN A 42 6.155 -3.025 -4.624 1.00 0.00 C ATOM 669 C GLN A 42 5.688 -2.372 -5.936 1.00 0.00 C ATOM 670 O GLN A 42 6.484 -1.864 -6.700 1.00 0.00 O ATOM 671 CB GLN A 42 5.770 -4.507 -4.626 1.00 0.00 C ATOM 672 CG GLN A 42 6.907 -5.333 -5.232 1.00 0.00 C ATOM 673 CD GLN A 42 7.376 -4.680 -6.534 1.00 0.00 C ATOM 674 OE1 GLN A 42 8.420 -4.060 -6.575 1.00 0.00 O ATOM 675 NE2 GLN A 42 6.643 -4.795 -7.608 1.00 0.00 N ATOM 0 H GLN A 42 4.805 -2.884 -2.968 1.00 0.00 H new ATOM 0 HA GLN A 42 7.238 -2.914 -4.562 1.00 0.00 H new ATOM 0 HB2 GLN A 42 5.566 -4.841 -3.609 1.00 0.00 H new ATOM 0 HB3 GLN A 42 4.855 -4.654 -5.199 1.00 0.00 H new ATOM 0 HG2 GLN A 42 7.736 -5.401 -4.528 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.568 -6.351 -5.425 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.766 -5.315 -7.574 1.00 0.00 H new ATOM 0 HE22 GLN A 42 6.947 -4.364 -8.481 1.00 0.00 H new ATOM 684 N HIS A 43 4.411 -2.398 -6.215 1.00 0.00 N ATOM 685 CA HIS A 43 3.903 -1.799 -7.489 1.00 0.00 C ATOM 686 C HIS A 43 3.654 -0.319 -7.299 1.00 0.00 C ATOM 687 O HIS A 43 3.817 0.478 -8.202 1.00 0.00 O ATOM 688 CB HIS A 43 2.567 -2.435 -7.854 1.00 0.00 C ATOM 689 CG HIS A 43 2.586 -3.875 -7.466 1.00 0.00 C ATOM 690 ND1 HIS A 43 2.940 -4.883 -8.348 1.00 0.00 N ATOM 691 CD2 HIS A 43 2.304 -4.487 -6.281 1.00 0.00 C ATOM 692 CE1 HIS A 43 2.862 -6.046 -7.678 1.00 0.00 C ATOM 693 NE2 HIS A 43 2.479 -5.861 -6.412 1.00 0.00 N ATOM 0 H HIS A 43 3.695 -2.809 -5.616 1.00 0.00 H new ATOM 0 HA HIS A 43 4.645 -1.969 -8.269 1.00 0.00 H new ATOM 0 HB2 HIS A 43 1.754 -1.919 -7.343 1.00 0.00 H new ATOM 0 HB3 HIS A 43 2.384 -2.337 -8.924 1.00 0.00 H new ATOM 0 HD1 HIS A 43 3.210 -4.765 -9.325 1.00 0.00 H new ATOM 0 HD2 HIS A 43 1.992 -3.982 -5.378 1.00 0.00 H new ATOM 0 HE1 HIS A 43 3.082 -7.011 -8.110 1.00 0.00 H new ATOM 701 N LEU A 44 3.236 0.048 -6.135 1.00 0.00 N ATOM 702 CA LEU A 44 2.944 1.473 -5.883 1.00 0.00 C ATOM 703 C LEU A 44 4.230 2.177 -5.432 1.00 0.00 C ATOM 704 O LEU A 44 4.357 3.375 -5.557 1.00 0.00 O ATOM 705 CB LEU A 44 1.839 1.600 -4.820 1.00 0.00 C ATOM 706 CG LEU A 44 0.529 0.846 -5.219 1.00 0.00 C ATOM 707 CD1 LEU A 44 -0.639 1.757 -4.931 1.00 0.00 C ATOM 708 CD2 LEU A 44 0.452 0.533 -6.716 1.00 0.00 C ATOM 0 H LEU A 44 3.083 -0.577 -5.344 1.00 0.00 H new ATOM 0 HA LEU A 44 2.587 1.948 -6.797 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.206 1.206 -3.872 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.613 2.654 -4.661 1.00 0.00 H new ATOM 0 HG LEU A 44 0.515 -0.087 -4.656 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.568 1.254 -5.201 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.655 2.003 -3.869 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.539 2.672 -5.514 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.480 0.009 -6.931 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.485 1.463 -7.284 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.296 -0.096 -7.000 1.00 0.00 H new ATOM 720 N THR A 45 5.204 1.446 -4.950 1.00 0.00 N ATOM 721 CA THR A 45 6.483 2.093 -4.544 1.00 0.00 C ATOM 722 C THR A 45 6.222 3.372 -3.757 1.00 0.00 C ATOM 723 O THR A 45 7.045 4.264 -3.724 1.00 0.00 O ATOM 724 CB THR A 45 7.263 2.450 -5.802 1.00 0.00 C ATOM 725 OG1 THR A 45 6.406 2.337 -6.931 1.00 0.00 O ATOM 726 CG2 THR A 45 8.440 1.491 -5.955 1.00 0.00 C ATOM 0 H THR A 45 5.167 0.435 -4.822 1.00 0.00 H new ATOM 0 HA THR A 45 7.043 1.402 -3.914 1.00 0.00 H new ATOM 0 HB THR A 45 7.636 3.472 -5.728 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.903 2.568 -7.743 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.001 1.744 -6.855 1.00 0.00 H new ATOM 0 HG22 THR A 45 9.092 1.574 -5.086 1.00 0.00 H new ATOM 0 HG23 THR A 45 8.069 0.469 -6.034 1.00 0.00 H new ATOM 734 N ALA A 46 5.089 3.484 -3.140 1.00 0.00 N ATOM 735 CA ALA A 46 4.791 4.719 -2.383 1.00 0.00 C ATOM 736 C ALA A 46 5.141 5.920 -3.257 1.00 0.00 C ATOM 737 O ALA A 46 5.881 6.799 -2.866 1.00 0.00 O ATOM 738 CB ALA A 46 5.611 4.775 -1.097 1.00 0.00 C ATOM 0 H ALA A 46 4.356 2.774 -3.127 1.00 0.00 H new ATOM 0 HA ALA A 46 3.734 4.731 -2.119 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.376 5.691 -0.556 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.370 3.914 -0.474 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.673 4.760 -1.342 1.00 0.00 H new ATOM 744 N ARG A 47 4.584 5.932 -4.431 1.00 0.00 N ATOM 745 CA ARG A 47 4.789 7.028 -5.426 1.00 0.00 C ATOM 746 C ARG A 47 5.398 8.288 -4.787 1.00 0.00 C ATOM 747 O ARG A 47 6.594 8.497 -4.840 1.00 0.00 O ATOM 748 CB ARG A 47 3.401 7.389 -5.990 1.00 0.00 C ATOM 749 CG ARG A 47 2.294 6.699 -5.171 1.00 0.00 C ATOM 750 CD ARG A 47 1.894 5.362 -5.817 1.00 0.00 C ATOM 751 NE ARG A 47 2.783 5.042 -6.967 1.00 0.00 N ATOM 752 CZ ARG A 47 2.303 4.427 -8.014 1.00 0.00 C ATOM 753 NH1 ARG A 47 1.435 3.465 -7.863 1.00 0.00 N ATOM 754 NH2 ARG A 47 2.691 4.775 -9.210 1.00 0.00 N ATOM 0 H ARG A 47 3.964 5.192 -4.761 1.00 0.00 H new ATOM 0 HA ARG A 47 5.480 6.684 -6.196 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.261 8.470 -5.965 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.335 7.083 -7.034 1.00 0.00 H new ATOM 0 HG2 ARG A 47 2.642 6.527 -4.152 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.423 7.351 -5.105 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.949 4.564 -5.076 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.859 5.412 -6.155 1.00 0.00 H new ATOM 0 HE ARG A 47 3.768 5.303 -6.937 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.132 3.194 -6.928 1.00 0.00 H new ATOM 0 HH12 ARG A 47 1.059 2.984 -8.680 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.369 5.528 -9.327 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.316 4.294 -10.028 1.00 0.00 H new ATOM 768 N ASN A 48 4.597 9.128 -4.192 1.00 0.00 N ATOM 769 CA ASN A 48 5.158 10.376 -3.563 1.00 0.00 C ATOM 770 C ASN A 48 5.555 10.098 -2.112 1.00 0.00 C ATOM 771 O ASN A 48 4.826 10.413 -1.193 1.00 0.00 O ATOM 772 CB ASN A 48 4.120 11.515 -3.580 1.00 0.00 C ATOM 773 CG ASN A 48 2.859 11.052 -4.285 1.00 0.00 C ATOM 774 OD1 ASN A 48 1.790 11.030 -3.708 1.00 0.00 O ATOM 775 ND2 ASN A 48 2.944 10.676 -5.526 1.00 0.00 N ATOM 0 H ASN A 48 3.587 9.014 -4.110 1.00 0.00 H new ATOM 0 HA ASN A 48 6.032 10.678 -4.141 1.00 0.00 H new ATOM 0 HB2 ASN A 48 3.886 11.821 -2.560 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.532 12.387 -4.088 1.00 0.00 H new ATOM 0 HD21 ASN A 48 2.110 10.360 -6.021 1.00 0.00 H new ATOM 0 HD22 ASN A 48 3.844 10.697 -6.005 1.00 0.00 H new ATOM 782 N ARG A 49 6.705 9.518 -1.896 1.00 0.00 N ATOM 783 CA ARG A 49 7.140 9.234 -0.493 1.00 0.00 C ATOM 784 C ARG A 49 6.840 10.435 0.386 1.00 0.00 C ATOM 785 O ARG A 49 6.811 11.551 -0.092 1.00 0.00 O ATOM 786 CB ARG A 49 8.645 9.024 -0.420 1.00 0.00 C ATOM 787 CG ARG A 49 9.032 7.734 -1.152 1.00 0.00 C ATOM 788 CD ARG A 49 10.559 7.593 -1.198 1.00 0.00 C ATOM 789 NE ARG A 49 10.944 6.239 -0.711 1.00 0.00 N ATOM 790 CZ ARG A 49 12.175 5.827 -0.836 1.00 0.00 C ATOM 791 NH1 ARG A 49 12.440 4.770 -1.555 1.00 0.00 N ATOM 792 NH2 ARG A 49 13.144 6.471 -0.243 1.00 0.00 N ATOM 0 H ARG A 49 7.360 9.229 -2.623 1.00 0.00 H new ATOM 0 HA ARG A 49 6.609 8.341 -0.164 1.00 0.00 H new ATOM 0 HB2 ARG A 49 9.161 9.874 -0.867 1.00 0.00 H new ATOM 0 HB3 ARG A 49 8.963 8.970 0.621 1.00 0.00 H new ATOM 0 HG2 ARG A 49 8.594 6.874 -0.645 1.00 0.00 H new ATOM 0 HG3 ARG A 49 8.629 7.746 -2.165 1.00 0.00 H new ATOM 0 HD2 ARG A 49 10.919 7.742 -2.216 1.00 0.00 H new ATOM 0 HD3 ARG A 49 11.025 8.360 -0.580 1.00 0.00 H new ATOM 0 HE ARG A 49 10.245 5.634 -0.280 1.00 0.00 H new ATOM 0 HH11 ARG A 49 11.684 4.266 -2.019 1.00 0.00 H new ATOM 0 HH12 ARG A 49 13.403 4.448 -1.653 1.00 0.00 H new ATOM 0 HH21 ARG A 49 12.938 7.297 0.319 1.00 0.00 H new ATOM 0 HH22 ARG A 49 14.106 6.148 -0.342 1.00 0.00 H new ATOM 806 N PRO A 50 6.663 10.186 1.654 1.00 0.00 N ATOM 807 CA PRO A 50 6.412 11.260 2.606 1.00 0.00 C ATOM 808 C PRO A 50 7.734 11.925 3.022 1.00 0.00 C ATOM 809 O PRO A 50 8.549 11.308 3.678 1.00 0.00 O ATOM 810 CB PRO A 50 5.764 10.552 3.794 1.00 0.00 C ATOM 811 CG PRO A 50 6.207 9.071 3.705 1.00 0.00 C ATOM 812 CD PRO A 50 6.665 8.832 2.252 1.00 0.00 C ATOM 0 HA PRO A 50 5.785 12.053 2.198 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.084 10.999 4.736 1.00 0.00 H new ATOM 0 HB3 PRO A 50 4.678 10.637 3.753 1.00 0.00 H new ATOM 0 HG2 PRO A 50 7.017 8.867 4.405 1.00 0.00 H new ATOM 0 HG3 PRO A 50 5.385 8.405 3.966 1.00 0.00 H new ATOM 0 HD2 PRO A 50 7.656 8.379 2.214 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.988 8.161 1.724 1.00 0.00 H new ATOM 820 N PRO A 51 7.903 13.164 2.631 1.00 0.00 N ATOM 821 CA PRO A 51 9.112 13.933 2.953 1.00 0.00 C ATOM 822 C PRO A 51 9.038 14.461 4.388 1.00 0.00 C ATOM 823 O PRO A 51 8.633 15.582 4.627 1.00 0.00 O ATOM 824 CB PRO A 51 9.090 15.083 1.944 1.00 0.00 C ATOM 825 CG PRO A 51 7.618 15.237 1.494 1.00 0.00 C ATOM 826 CD PRO A 51 6.914 13.909 1.836 1.00 0.00 C ATOM 0 HA PRO A 51 10.026 13.342 2.892 1.00 0.00 H new ATOM 0 HB2 PRO A 51 9.457 16.004 2.396 1.00 0.00 H new ATOM 0 HB3 PRO A 51 9.736 14.866 1.093 1.00 0.00 H new ATOM 0 HG2 PRO A 51 7.141 16.072 2.007 1.00 0.00 H new ATOM 0 HG3 PRO A 51 7.559 15.443 0.425 1.00 0.00 H new ATOM 0 HD2 PRO A 51 5.997 14.079 2.401 1.00 0.00 H new ATOM 0 HD3 PRO A 51 6.636 13.363 0.934 1.00 0.00 H new ATOM 834 N LEU A 52 9.426 13.664 5.345 1.00 0.00 N ATOM 835 CA LEU A 52 9.376 14.124 6.762 1.00 0.00 C ATOM 836 C LEU A 52 10.447 13.390 7.577 1.00 0.00 C ATOM 837 O LEU A 52 10.881 12.318 7.206 1.00 0.00 O ATOM 838 CB LEU A 52 7.992 13.830 7.357 1.00 0.00 C ATOM 839 CG LEU A 52 7.353 12.642 6.631 1.00 0.00 C ATOM 840 CD1 LEU A 52 8.199 11.385 6.866 1.00 0.00 C ATOM 841 CD2 LEU A 52 5.939 12.411 7.178 1.00 0.00 C ATOM 0 H LEU A 52 9.775 12.715 5.208 1.00 0.00 H new ATOM 0 HA LEU A 52 9.562 15.197 6.796 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.083 13.611 8.421 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.354 14.709 7.266 1.00 0.00 H new ATOM 0 HG LEU A 52 7.302 12.854 5.563 1.00 0.00 H new ATOM 0 HD11 LEU A 52 7.745 10.539 6.350 1.00 0.00 H new ATOM 0 HD12 LEU A 52 9.206 11.547 6.481 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.248 11.174 7.934 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.483 11.566 6.662 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.992 12.199 8.246 1.00 0.00 H new ATOM 0 HD23 LEU A 52 5.336 13.304 7.015 1.00 0.00 H new ATOM 853 N PRO A 53 10.838 13.997 8.669 1.00 0.00 N ATOM 854 CA PRO A 53 11.859 13.431 9.570 1.00 0.00 C ATOM 855 C PRO A 53 11.258 12.327 10.432 1.00 0.00 C ATOM 856 O PRO A 53 10.257 11.732 10.087 1.00 0.00 O ATOM 857 CB PRO A 53 12.290 14.628 10.423 1.00 0.00 C ATOM 858 CG PRO A 53 11.124 15.645 10.365 1.00 0.00 C ATOM 859 CD PRO A 53 10.301 15.302 9.108 1.00 0.00 C ATOM 0 HA PRO A 53 12.694 12.974 9.040 1.00 0.00 H new ATOM 0 HB2 PRO A 53 12.488 14.322 11.450 1.00 0.00 H new ATOM 0 HB3 PRO A 53 13.210 15.069 10.038 1.00 0.00 H new ATOM 0 HG2 PRO A 53 10.507 15.579 11.261 1.00 0.00 H new ATOM 0 HG3 PRO A 53 11.503 16.666 10.313 1.00 0.00 H new ATOM 0 HD2 PRO A 53 9.236 15.239 9.334 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.419 16.062 8.335 1.00 0.00 H new ATOM 867 N ALA A 54 11.871 12.031 11.543 1.00 0.00 N ATOM 868 CA ALA A 54 11.337 10.948 12.403 1.00 0.00 C ATOM 869 C ALA A 54 12.285 10.710 13.582 1.00 0.00 C ATOM 870 O ALA A 54 13.281 11.389 13.735 1.00 0.00 O ATOM 871 CB ALA A 54 11.231 9.680 11.559 1.00 0.00 C ATOM 0 H ALA A 54 12.713 12.491 11.889 1.00 0.00 H new ATOM 0 HA ALA A 54 10.357 11.223 12.794 1.00 0.00 H new ATOM 0 HB1 ALA A 54 10.840 8.867 12.171 1.00 0.00 H new ATOM 0 HB2 ALA A 54 10.560 9.857 10.719 1.00 0.00 H new ATOM 0 HB3 ALA A 54 12.218 9.409 11.184 1.00 0.00 H new ATOM 877 N GLY A 55 11.982 9.753 14.416 1.00 0.00 N ATOM 878 CA GLY A 55 12.867 9.476 15.583 1.00 0.00 C ATOM 879 C GLY A 55 13.038 7.965 15.748 1.00 0.00 C ATOM 880 O GLY A 55 13.515 7.491 16.760 1.00 0.00 O ATOM 0 H GLY A 55 11.161 9.152 14.340 1.00 0.00 H new ATOM 0 HA2 GLY A 55 13.838 9.948 15.436 1.00 0.00 H new ATOM 0 HA3 GLY A 55 12.437 9.905 16.488 1.00 0.00 H new ATOM 884 N THR A 56 12.653 7.203 14.761 1.00 0.00 N ATOM 885 CA THR A 56 12.795 5.724 14.864 1.00 0.00 C ATOM 886 C THR A 56 13.971 5.263 14.001 1.00 0.00 C ATOM 887 O THR A 56 14.321 5.982 13.080 1.00 0.00 O ATOM 888 CB THR A 56 11.509 5.052 14.375 1.00 0.00 C ATOM 889 OG1 THR A 56 11.760 3.674 14.132 1.00 0.00 O ATOM 890 CG2 THR A 56 11.041 5.722 13.081 1.00 0.00 C ATOM 891 OXT THR A 56 14.501 4.199 14.276 1.00 0.00 O ATOM 0 H THR A 56 12.247 7.541 13.889 1.00 0.00 H new ATOM 0 HA THR A 56 12.977 5.448 15.903 1.00 0.00 H new ATOM 0 HB THR A 56 10.734 5.153 15.135 1.00 0.00 H new ATOM 0 HG1 THR A 56 10.938 3.242 13.820 1.00 0.00 H new ATOM 0 HG21 THR A 56 10.126 5.243 12.734 1.00 0.00 H new ATOM 0 HG22 THR A 56 10.849 6.779 13.267 1.00 0.00 H new ATOM 0 HG23 THR A 56 11.814 5.622 12.319 1.00 0.00 H new TER 899 THR A 56