USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 653 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 4 GLN : amide:sc= 1.86 K(o=-0.35,f=-5.2!) USER MOD Set 1.2: A 71 GLN : amide:sc= -2.22! C(o=-0.35!,f=-5.2!) USER MOD Set 2.1: A 51 MET CE :methyl -167:sc= -5.67! (180deg=-5.27!) USER MOD Set 2.2: A 52 SER OG : rot -160:sc= -3.76! USER MOD Set 3.1: A 37 LYS NZ :NH3+ 154:sc= 0.672 (180deg=0) USER MOD Set 3.2: A 56 SER OG : rot 83:sc= 1.58 USER MOD Set 4.1: A 15 GLN : amide:sc= 1.16 K(o=-3.2,f=-4.3) USER MOD Set 4.2: A 57 THR OG1 : rot 170:sc= -4.4! USER MOD Set 5.1: A 3 GLN : amide:sc= 1.16 K(o=1.6,f=-1.1) USER MOD Set 5.2: A 66 GLN : amide:sc= 0.445 K(o=1.6,f=0.38) USER MOD Single : A 5 LYS NZ :NH3+ 152:sc= -1.52 (180deg=-2.57!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= -0.0123 (180deg=-0.0123) USER MOD Single : A 12 THR OG1 : rot -78:sc= -0.734! USER MOD Single : A 24 GLN : amide:sc= -1! C(o=-1!,f=-2.3!) USER MOD Single : A 27 ASN : amide:sc= -6.36! C(o=-6.4!,f=-7.4!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 160:sc= 0.354 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 136:sc= 0.479 (180deg=-0.581) USER MOD Single : A 43 ASN : amide:sc= 0.909! K(o=0.91!,f=-0.36) USER MOD Single : A 45 LYS NZ :NH3+ 174:sc= 0.417 (180deg=0.23) USER MOD Single : A 46 SER OG : rot 180:sc= 0.0373 USER MOD Single : A 48 MET CE :methyl -151:sc= -0.23 (180deg=-1.04) USER MOD Single : A 59 THR OG1 : rot 65:sc= -1.97! USER MOD Single : A 62 THR OG1 : rot 180:sc= -2.83! USER MOD Single : A 76 LYS NZ :NH3+ -136:sc= -2.55! (180deg=-4.86!) USER MOD Single : A 80 TYR OH : rot -15:sc= -2.38! USER MOD Single : A 82 GLN : amide:sc= -7.81! C(o=-7.8!,f=-13!) USER MOD ----------------------------------------------------------------- ATOM 19 N GLN A 3 -16.732 4.010 0.636 1.00 0.00 N ATOM 20 CA GLN A 3 -15.873 2.916 1.037 1.00 0.00 C ATOM 21 C GLN A 3 -16.244 2.249 2.343 1.00 0.00 C ATOM 22 O GLN A 3 -16.868 2.838 3.225 1.00 0.00 O ATOM 23 CB GLN A 3 -14.417 3.345 1.075 1.00 0.00 C ATOM 24 CG GLN A 3 -13.957 4.185 2.267 1.00 0.00 C ATOM 25 CD GLN A 3 -14.699 5.499 2.461 1.00 0.00 C ATOM 26 OE1 GLN A 3 -14.187 6.546 2.082 1.00 0.00 O ATOM 27 NE2 GLN A 3 -15.871 5.469 3.091 1.00 0.00 N ATOM 0 HA GLN A 3 -16.025 2.162 0.265 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -13.801 2.446 1.040 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -14.209 3.910 0.166 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -14.064 3.589 3.173 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -12.895 4.400 2.151 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -16.266 4.578 3.392 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -16.374 6.337 3.273 1.00 0.00 H new ATOM 36 N GLN A 4 -15.742 1.027 2.446 1.00 0.00 N ATOM 37 CA GLN A 4 -15.847 0.125 3.570 1.00 0.00 C ATOM 38 C GLN A 4 -14.424 -0.402 3.798 1.00 0.00 C ATOM 39 O GLN A 4 -13.558 -0.163 2.952 1.00 0.00 O ATOM 40 CB GLN A 4 -16.871 -0.950 3.192 1.00 0.00 C ATOM 41 CG GLN A 4 -17.571 -1.543 4.409 1.00 0.00 C ATOM 42 CD GLN A 4 -16.974 -2.886 4.778 1.00 0.00 C ATOM 43 OE1 GLN A 4 -16.048 -2.953 5.577 1.00 0.00 O ATOM 44 NE2 GLN A 4 -17.494 -3.955 4.188 1.00 0.00 N ATOM 0 H GLN A 4 -15.209 0.613 1.681 1.00 0.00 H new ATOM 0 HA GLN A 4 -16.199 0.572 4.500 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -17.616 -0.519 2.523 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -16.370 -1.746 2.641 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -17.484 -0.858 5.253 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -18.635 -1.659 4.201 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -18.265 -3.849 3.529 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -17.122 -4.882 4.394 1.00 0.00 H new ATOM 53 N LYS A 5 -14.143 -1.069 4.917 1.00 0.00 N ATOM 54 CA LYS A 5 -12.811 -1.556 5.187 1.00 0.00 C ATOM 55 C LYS A 5 -12.865 -2.731 6.148 1.00 0.00 C ATOM 56 O LYS A 5 -13.471 -2.636 7.213 1.00 0.00 O ATOM 57 CB LYS A 5 -11.934 -0.442 5.752 1.00 0.00 C ATOM 58 CG LYS A 5 -12.504 0.187 7.024 1.00 0.00 C ATOM 59 CD LYS A 5 -13.669 1.121 6.705 1.00 0.00 C ATOM 60 CE LYS A 5 -13.224 2.235 5.760 1.00 0.00 C ATOM 61 NZ LYS A 5 -14.352 3.125 5.435 1.00 0.00 N ATOM 0 H LYS A 5 -14.827 -1.279 5.644 1.00 0.00 H new ATOM 0 HA LYS A 5 -12.370 -1.894 4.249 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -10.942 -0.842 5.965 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -11.810 0.333 4.995 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -12.839 -0.598 7.702 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -11.721 0.742 7.541 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -14.482 0.555 6.250 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -14.058 1.553 7.627 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -12.422 2.811 6.221 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -12.820 1.802 4.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -13.992 4.077 5.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -14.862 2.752 4.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -15.000 3.175 6.247 1.00 0.00 H new ATOM 75 N VAL A 6 -12.199 -3.823 5.790 1.00 0.00 N ATOM 76 CA VAL A 6 -12.132 -4.981 6.661 1.00 0.00 C ATOM 77 C VAL A 6 -10.679 -5.195 7.064 1.00 0.00 C ATOM 78 O VAL A 6 -9.813 -5.358 6.208 1.00 0.00 O ATOM 79 CB VAL A 6 -12.745 -6.204 5.978 1.00 0.00 C ATOM 80 CG1 VAL A 6 -14.245 -5.978 5.804 1.00 0.00 C ATOM 81 CG2 VAL A 6 -12.119 -6.447 4.606 1.00 0.00 C ATOM 0 H VAL A 6 -11.701 -3.927 4.906 1.00 0.00 H new ATOM 0 HA VAL A 6 -12.718 -4.817 7.565 1.00 0.00 H new ATOM 0 HB VAL A 6 -12.555 -7.076 6.603 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -14.690 -6.846 5.317 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -14.707 -5.833 6.781 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -14.411 -5.093 5.190 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -12.577 -7.323 4.147 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -12.285 -5.577 3.971 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -11.048 -6.615 4.719 1.00 0.00 H new ATOM 91 N GLU A 7 -10.375 -5.131 8.359 1.00 0.00 N ATOM 92 CA GLU A 7 -9.002 -5.308 8.791 1.00 0.00 C ATOM 93 C GLU A 7 -8.617 -6.780 8.822 1.00 0.00 C ATOM 94 O GLU A 7 -9.433 -7.653 9.113 1.00 0.00 O ATOM 95 CB GLU A 7 -8.714 -4.587 10.115 1.00 0.00 C ATOM 96 CG GLU A 7 -9.704 -4.939 11.227 1.00 0.00 C ATOM 97 CD GLU A 7 -10.896 -3.992 11.227 1.00 0.00 C ATOM 98 OE1 GLU A 7 -10.786 -2.941 11.892 1.00 0.00 O ATOM 99 OE2 GLU A 7 -11.885 -4.335 10.543 1.00 0.00 O ATOM 0 H GLU A 7 -11.047 -4.962 9.107 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.360 -4.832 8.049 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -7.705 -4.837 10.444 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.737 -3.510 9.946 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -10.051 -5.964 11.097 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.201 -4.893 12.193 1.00 0.00 H new ATOM 106 N VAL A 8 -7.355 -7.030 8.492 1.00 0.00 N ATOM 107 CA VAL A 8 -6.773 -8.351 8.345 1.00 0.00 C ATOM 108 C VAL A 8 -5.288 -8.269 8.697 1.00 0.00 C ATOM 109 O VAL A 8 -4.722 -7.178 8.693 1.00 0.00 O ATOM 110 CB VAL A 8 -6.941 -8.762 6.884 1.00 0.00 C ATOM 111 CG1 VAL A 8 -8.396 -9.012 6.519 1.00 0.00 C ATOM 112 CG2 VAL A 8 -6.499 -7.603 6.007 1.00 0.00 C ATOM 0 H VAL A 8 -6.684 -6.283 8.313 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.255 -9.078 8.999 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.358 -9.672 6.738 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -8.463 -9.301 5.470 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -8.795 -9.812 7.143 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -8.974 -8.102 6.682 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -6.611 -7.877 4.958 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -7.114 -6.729 6.222 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.454 -7.370 6.211 1.00 0.00 H new ATOM 122 N ARG A 9 -4.636 -9.391 8.991 1.00 0.00 N ATOM 123 CA ARG A 9 -3.226 -9.349 9.352 1.00 0.00 C ATOM 124 C ARG A 9 -2.351 -9.454 8.116 1.00 0.00 C ATOM 125 O ARG A 9 -2.666 -10.183 7.178 1.00 0.00 O ATOM 126 CB ARG A 9 -2.885 -10.486 10.313 1.00 0.00 C ATOM 127 CG ARG A 9 -1.420 -10.466 10.750 1.00 0.00 C ATOM 128 CD ARG A 9 -1.102 -11.804 11.419 1.00 0.00 C ATOM 129 NE ARG A 9 0.339 -11.972 11.643 1.00 0.00 N ATOM 130 CZ ARG A 9 1.243 -12.073 10.660 1.00 0.00 C ATOM 131 NH1 ARG A 9 0.842 -12.074 9.388 1.00 0.00 N ATOM 132 NH2 ARG A 9 2.546 -12.130 10.953 1.00 0.00 N ATOM 0 H ARG A 9 -5.053 -10.322 8.986 1.00 0.00 H new ATOM 0 HA ARG A 9 -3.035 -8.395 9.842 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -3.524 -10.417 11.193 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -3.105 -11.440 9.834 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -0.769 -10.307 9.890 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.241 -9.643 11.442 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -1.628 -11.868 12.372 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -1.471 -12.619 10.796 1.00 0.00 H new ATOM 0 HE ARG A 9 0.672 -12.014 12.606 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -0.151 -11.998 9.166 1.00 0.00 H new ATOM 0 HH12 ARG A 9 1.528 -12.151 8.637 1.00 0.00 H new ATOM 0 HH21 ARG A 9 2.852 -12.097 11.925 1.00 0.00 H new ATOM 0 HH22 ARG A 9 3.234 -12.207 10.204 1.00 0.00 H new ATOM 146 N LEU A 10 -1.217 -8.759 8.126 1.00 0.00 N ATOM 147 CA LEU A 10 -0.292 -8.844 7.015 1.00 0.00 C ATOM 148 C LEU A 10 0.445 -10.173 6.980 1.00 0.00 C ATOM 149 O LEU A 10 1.600 -10.262 7.386 1.00 0.00 O ATOM 150 CB LEU A 10 0.717 -7.702 7.035 1.00 0.00 C ATOM 151 CG LEU A 10 0.167 -6.498 6.291 1.00 0.00 C ATOM 152 CD1 LEU A 10 -0.543 -6.954 5.016 1.00 0.00 C ATOM 153 CD2 LEU A 10 -0.777 -5.710 7.188 1.00 0.00 C ATOM 0 H LEU A 10 -0.925 -8.141 8.883 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.898 -8.765 6.112 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.946 -7.428 8.065 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.651 -8.025 6.576 1.00 0.00 H new ATOM 0 HG LEU A 10 0.992 -5.843 6.011 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.935 -6.085 4.487 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.164 -7.481 4.375 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.364 -7.622 5.276 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.164 -4.850 6.642 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.606 -6.348 7.494 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.238 -5.367 8.071 1.00 0.00 H new ATOM 165 N LYS A 11 -0.217 -11.221 6.508 1.00 0.00 N ATOM 166 CA LYS A 11 0.457 -12.480 6.240 1.00 0.00 C ATOM 167 C LYS A 11 1.281 -12.283 4.961 1.00 0.00 C ATOM 168 O LYS A 11 2.310 -12.920 4.742 1.00 0.00 O ATOM 169 CB LYS A 11 -0.597 -13.564 6.122 1.00 0.00 C ATOM 170 CG LYS A 11 -0.124 -14.649 5.184 1.00 0.00 C ATOM 171 CD LYS A 11 -1.190 -14.652 4.103 1.00 0.00 C ATOM 172 CE LYS A 11 -1.278 -13.398 3.265 1.00 0.00 C ATOM 173 NZ LYS A 11 -2.461 -13.463 2.397 1.00 0.00 N ATOM 0 H LYS A 11 -1.216 -11.223 6.304 1.00 0.00 H new ATOM 0 HA LYS A 11 1.137 -12.786 7.035 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.806 -13.988 7.104 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.530 -13.136 5.755 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.863 -14.429 4.777 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.054 -15.614 5.685 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.006 -15.498 3.440 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.158 -14.821 4.574 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.337 -12.522 3.910 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.377 -13.289 2.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.518 -12.598 1.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.387 -14.290 1.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.317 -13.546 2.982 1.00 0.00 H new ATOM 187 N THR A 12 0.774 -11.416 4.090 1.00 0.00 N ATOM 188 CA THR A 12 1.498 -10.859 2.971 1.00 0.00 C ATOM 189 C THR A 12 2.620 -10.017 3.584 1.00 0.00 C ATOM 190 O THR A 12 3.796 -10.350 3.478 1.00 0.00 O ATOM 191 CB THR A 12 0.564 -9.953 2.149 1.00 0.00 C ATOM 192 OG1 THR A 12 -0.178 -9.095 3.000 1.00 0.00 O ATOM 193 CG2 THR A 12 -0.439 -10.738 1.316 1.00 0.00 C ATOM 0 H THR A 12 -0.185 -11.075 4.153 1.00 0.00 H new ATOM 0 HA THR A 12 1.885 -11.635 2.310 1.00 0.00 H new ATOM 0 HB THR A 12 1.216 -9.387 1.484 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.916 -9.595 3.406 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.070 -10.046 0.759 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.094 -11.385 0.619 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.060 -11.347 1.973 1.00 0.00 H new ATOM 201 N GLY A 13 2.211 -8.950 4.277 1.00 0.00 N ATOM 202 CA GLY A 13 3.078 -7.919 4.824 1.00 0.00 C ATOM 203 C GLY A 13 3.800 -7.213 3.685 1.00 0.00 C ATOM 204 O GLY A 13 4.938 -6.787 3.833 1.00 0.00 O ATOM 0 H GLY A 13 1.225 -8.780 4.477 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.492 -7.202 5.398 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.801 -8.361 5.509 1.00 0.00 H new ATOM 208 N LEU A 14 3.125 -7.152 2.533 1.00 0.00 N ATOM 209 CA LEU A 14 3.480 -6.376 1.357 1.00 0.00 C ATOM 210 C LEU A 14 4.982 -6.397 1.107 1.00 0.00 C ATOM 211 O LEU A 14 5.620 -5.351 1.013 1.00 0.00 O ATOM 212 CB LEU A 14 2.939 -4.967 1.526 1.00 0.00 C ATOM 213 CG LEU A 14 1.431 -4.882 1.251 1.00 0.00 C ATOM 214 CD1 LEU A 14 1.130 -5.156 -0.215 1.00 0.00 C ATOM 215 CD2 LEU A 14 0.606 -5.866 2.079 1.00 0.00 C ATOM 0 H LEU A 14 2.263 -7.679 2.396 1.00 0.00 H new ATOM 0 HA LEU A 14 3.028 -6.821 0.471 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.141 -4.623 2.540 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.467 -4.294 0.850 1.00 0.00 H new ATOM 0 HG LEU A 14 1.149 -3.867 1.531 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.055 -5.090 -0.384 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.641 -4.420 -0.835 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.478 -6.155 -0.477 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.450 -5.752 1.834 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.922 -6.885 1.855 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.757 -5.665 3.140 1.00 0.00 H new ATOM 227 N GLN A 15 5.540 -7.596 1.003 1.00 0.00 N ATOM 228 CA GLN A 15 6.976 -7.736 0.929 1.00 0.00 C ATOM 229 C GLN A 15 7.486 -7.559 -0.491 1.00 0.00 C ATOM 230 O GLN A 15 8.280 -6.654 -0.739 1.00 0.00 O ATOM 231 CB GLN A 15 7.402 -9.055 1.570 1.00 0.00 C ATOM 232 CG GLN A 15 6.814 -9.096 2.981 1.00 0.00 C ATOM 233 CD GLN A 15 7.287 -10.309 3.763 1.00 0.00 C ATOM 234 OE1 GLN A 15 8.481 -10.565 3.872 1.00 0.00 O ATOM 235 NE2 GLN A 15 6.354 -11.069 4.325 1.00 0.00 N ATOM 0 H GLN A 15 5.021 -8.473 0.969 1.00 0.00 H new ATOM 0 HA GLN A 15 7.444 -6.934 1.501 1.00 0.00 H new ATOM 0 HB2 GLN A 15 7.044 -9.900 0.982 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.489 -9.130 1.606 1.00 0.00 H new ATOM 0 HG2 GLN A 15 7.094 -8.189 3.516 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.726 -9.107 2.919 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.368 -10.830 4.217 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.623 -11.891 4.865 1.00 0.00 H new ATOM 244 N ALA A 16 7.059 -8.394 -1.438 1.00 0.00 N ATOM 245 CA ALA A 16 7.613 -8.229 -2.770 1.00 0.00 C ATOM 246 C ALA A 16 6.662 -8.575 -3.908 1.00 0.00 C ATOM 247 O ALA A 16 6.563 -7.831 -4.880 1.00 0.00 O ATOM 248 CB ALA A 16 8.886 -9.066 -2.874 1.00 0.00 C ATOM 0 H ALA A 16 6.377 -9.143 -1.318 1.00 0.00 H new ATOM 0 HA ALA A 16 7.819 -7.166 -2.892 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.315 -8.953 -3.870 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.606 -8.728 -2.128 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.647 -10.115 -2.699 1.00 0.00 H new ATOM 254 N ARG A 17 5.979 -9.712 -3.819 1.00 0.00 N ATOM 255 CA ARG A 17 5.211 -10.192 -4.965 1.00 0.00 C ATOM 256 C ARG A 17 3.709 -10.258 -4.709 1.00 0.00 C ATOM 257 O ARG A 17 2.942 -9.541 -5.348 1.00 0.00 O ATOM 258 CB ARG A 17 5.754 -11.553 -5.404 1.00 0.00 C ATOM 259 CG ARG A 17 7.283 -11.531 -5.412 1.00 0.00 C ATOM 260 CD ARG A 17 7.840 -12.954 -5.304 1.00 0.00 C ATOM 261 NE ARG A 17 7.100 -13.772 -4.329 1.00 0.00 N ATOM 262 CZ ARG A 17 6.760 -13.398 -3.086 1.00 0.00 C ATOM 263 NH1 ARG A 17 7.258 -12.281 -2.549 1.00 0.00 N ATOM 264 NH2 ARG A 17 5.886 -14.140 -2.401 1.00 0.00 N ATOM 0 H ARG A 17 5.940 -10.305 -2.990 1.00 0.00 H new ATOM 0 HA ARG A 17 5.336 -9.464 -5.767 1.00 0.00 H new ATOM 0 HB2 ARG A 17 5.397 -12.331 -4.729 1.00 0.00 H new ATOM 0 HB3 ARG A 17 5.381 -11.799 -6.398 1.00 0.00 H new ATOM 0 HG2 ARG A 17 7.641 -11.062 -6.329 1.00 0.00 H new ATOM 0 HG3 ARG A 17 7.648 -10.927 -4.581 1.00 0.00 H new ATOM 0 HD2 ARG A 17 7.799 -13.433 -6.282 1.00 0.00 H new ATOM 0 HD3 ARG A 17 8.890 -12.910 -5.015 1.00 0.00 H new ATOM 0 HE ARG A 17 6.821 -14.707 -4.625 1.00 0.00 H new ATOM 0 HH11 ARG A 17 7.904 -11.702 -3.085 1.00 0.00 H new ATOM 0 HH12 ARG A 17 6.992 -12.007 -1.603 1.00 0.00 H new ATOM 0 HH21 ARG A 17 5.487 -14.978 -2.824 1.00 0.00 H new ATOM 0 HH22 ARG A 17 5.618 -13.869 -1.455 1.00 0.00 H new ATOM 278 N PRO A 18 3.273 -11.106 -3.773 1.00 0.00 N ATOM 279 CA PRO A 18 1.880 -11.251 -3.381 1.00 0.00 C ATOM 280 C PRO A 18 1.360 -9.896 -2.920 1.00 0.00 C ATOM 281 O PRO A 18 0.230 -9.519 -3.218 1.00 0.00 O ATOM 282 CB PRO A 18 1.904 -12.236 -2.217 1.00 0.00 C ATOM 283 CG PRO A 18 3.225 -11.847 -1.574 1.00 0.00 C ATOM 284 CD PRO A 18 4.123 -11.719 -2.785 1.00 0.00 C ATOM 0 HA PRO A 18 1.238 -11.600 -4.190 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.057 -12.106 -1.543 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.891 -13.274 -2.549 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.151 -10.913 -1.017 1.00 0.00 H new ATOM 0 HG3 PRO A 18 3.581 -12.606 -0.877 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.998 -11.105 -2.572 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.489 -12.690 -3.118 1.00 0.00 H new ATOM 292 N ALA A 19 2.215 -9.171 -2.208 1.00 0.00 N ATOM 293 CA ALA A 19 2.036 -7.815 -1.769 1.00 0.00 C ATOM 294 C ALA A 19 1.714 -6.914 -2.955 1.00 0.00 C ATOM 295 O ALA A 19 0.759 -6.138 -2.924 1.00 0.00 O ATOM 296 CB ALA A 19 3.405 -7.457 -1.252 1.00 0.00 C ATOM 0 H ALA A 19 3.111 -9.554 -1.907 1.00 0.00 H new ATOM 0 HA ALA A 19 1.231 -7.702 -1.043 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.398 -6.431 -0.884 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.675 -8.132 -0.440 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.133 -7.548 -2.058 1.00 0.00 H new ATOM 302 N ALA A 20 2.523 -7.044 -4.009 1.00 0.00 N ATOM 303 CA ALA A 20 2.318 -6.340 -5.259 1.00 0.00 C ATOM 304 C ALA A 20 0.942 -6.719 -5.790 1.00 0.00 C ATOM 305 O ALA A 20 0.216 -5.868 -6.285 1.00 0.00 O ATOM 306 CB ALA A 20 3.413 -6.724 -6.249 1.00 0.00 C ATOM 0 H ALA A 20 3.344 -7.649 -4.010 1.00 0.00 H new ATOM 0 HA ALA A 20 2.366 -5.261 -5.111 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.257 -6.193 -7.188 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.386 -6.455 -5.838 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.380 -7.798 -6.429 1.00 0.00 H new ATOM 312 N LEU A 21 0.561 -7.989 -5.637 1.00 0.00 N ATOM 313 CA LEU A 21 -0.765 -8.452 -6.018 1.00 0.00 C ATOM 314 C LEU A 21 -1.839 -7.735 -5.190 1.00 0.00 C ATOM 315 O LEU A 21 -2.865 -7.331 -5.732 1.00 0.00 O ATOM 316 CB LEU A 21 -0.838 -9.973 -5.920 1.00 0.00 C ATOM 317 CG LEU A 21 -2.049 -10.532 -6.665 1.00 0.00 C ATOM 318 CD1 LEU A 21 -1.865 -12.039 -6.814 1.00 0.00 C ATOM 319 CD2 LEU A 21 -3.351 -10.267 -5.913 1.00 0.00 C ATOM 0 H LEU A 21 1.161 -8.716 -5.248 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.961 -8.198 -7.060 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.074 -10.408 -6.330 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.888 -10.268 -4.872 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.115 -10.039 -7.635 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.720 -12.459 -7.344 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.954 -12.240 -7.377 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.790 -12.496 -5.827 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.187 -10.680 -6.477 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.307 -10.739 -4.931 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.490 -9.193 -5.793 1.00 0.00 H new ATOM 331 N PHE A 22 -1.599 -7.541 -3.891 1.00 0.00 N ATOM 332 CA PHE A 22 -2.469 -6.772 -3.011 1.00 0.00 C ATOM 333 C PHE A 22 -2.695 -5.405 -3.640 1.00 0.00 C ATOM 334 O PHE A 22 -3.826 -5.034 -3.957 1.00 0.00 O ATOM 335 CB PHE A 22 -1.750 -6.642 -1.666 1.00 0.00 C ATOM 336 CG PHE A 22 -2.303 -5.624 -0.691 1.00 0.00 C ATOM 337 CD1 PHE A 22 -2.049 -4.255 -0.890 1.00 0.00 C ATOM 338 CD2 PHE A 22 -2.962 -6.044 0.475 1.00 0.00 C ATOM 339 CE1 PHE A 22 -2.506 -3.305 0.034 1.00 0.00 C ATOM 340 CE2 PHE A 22 -3.416 -5.093 1.408 1.00 0.00 C ATOM 341 CZ PHE A 22 -3.205 -3.722 1.179 1.00 0.00 C ATOM 0 H PHE A 22 -0.780 -7.922 -3.418 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.437 -7.252 -2.865 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -1.760 -7.618 -1.180 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -0.707 -6.393 -1.861 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -1.498 -3.933 -1.761 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -3.121 -7.097 0.656 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -2.321 -2.254 -0.134 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.928 -5.417 2.302 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.579 -2.992 1.881 1.00 0.00 H new ATOM 351 N VAL A 23 -1.596 -4.676 -3.838 1.00 0.00 N ATOM 352 CA VAL A 23 -1.656 -3.341 -4.396 1.00 0.00 C ATOM 353 C VAL A 23 -2.307 -3.343 -5.774 1.00 0.00 C ATOM 354 O VAL A 23 -3.102 -2.456 -6.069 1.00 0.00 O ATOM 355 CB VAL A 23 -0.254 -2.734 -4.397 1.00 0.00 C ATOM 356 CG1 VAL A 23 -0.139 -1.532 -5.330 1.00 0.00 C ATOM 357 CG2 VAL A 23 0.035 -2.270 -2.975 1.00 0.00 C ATOM 0 H VAL A 23 -0.654 -4.997 -3.616 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.293 -2.712 -3.774 1.00 0.00 H new ATOM 0 HB VAL A 23 0.453 -3.487 -4.746 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.877 -1.139 -5.293 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.372 -1.839 -6.349 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.839 -0.758 -5.015 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.031 -1.828 -2.932 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.705 -1.527 -2.677 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.014 -3.122 -2.297 1.00 0.00 H new ATOM 367 N GLN A 24 -1.997 -4.321 -6.620 1.00 0.00 N ATOM 368 CA GLN A 24 -2.544 -4.378 -7.960 1.00 0.00 C ATOM 369 C GLN A 24 -4.039 -4.651 -7.924 1.00 0.00 C ATOM 370 O GLN A 24 -4.753 -4.099 -8.747 1.00 0.00 O ATOM 371 CB GLN A 24 -1.796 -5.383 -8.835 1.00 0.00 C ATOM 372 CG GLN A 24 -1.839 -6.771 -8.215 1.00 0.00 C ATOM 373 CD GLN A 24 -1.325 -7.834 -9.164 1.00 0.00 C ATOM 374 OE1 GLN A 24 -0.126 -8.071 -9.255 1.00 0.00 O ATOM 375 NE2 GLN A 24 -2.239 -8.509 -9.850 1.00 0.00 N ATOM 0 H GLN A 24 -1.364 -5.088 -6.393 1.00 0.00 H new ATOM 0 HA GLN A 24 -2.401 -3.401 -8.421 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -2.241 -5.409 -9.829 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -0.760 -5.066 -8.958 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -1.241 -6.779 -7.304 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -2.863 -7.007 -7.927 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -3.227 -8.280 -9.745 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -1.953 -9.257 -10.482 1.00 0.00 H new ATOM 384 N GLU A 25 -4.542 -5.466 -6.994 1.00 0.00 N ATOM 385 CA GLU A 25 -5.974 -5.711 -6.952 1.00 0.00 C ATOM 386 C GLU A 25 -6.692 -4.514 -6.371 1.00 0.00 C ATOM 387 O GLU A 25 -7.679 -4.049 -6.939 1.00 0.00 O ATOM 388 CB GLU A 25 -6.290 -6.968 -6.152 1.00 0.00 C ATOM 389 CG GLU A 25 -5.474 -8.126 -6.710 1.00 0.00 C ATOM 390 CD GLU A 25 -5.781 -8.322 -8.183 1.00 0.00 C ATOM 391 OE1 GLU A 25 -6.973 -8.553 -8.482 1.00 0.00 O ATOM 392 OE2 GLU A 25 -4.833 -8.199 -8.987 1.00 0.00 O ATOM 0 H GLU A 25 -3.994 -5.951 -6.283 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.325 -5.867 -7.972 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.054 -6.814 -5.099 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.355 -7.194 -6.211 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.410 -7.929 -6.576 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.701 -9.039 -6.159 1.00 0.00 H new ATOM 399 N ALA A 26 -6.166 -4.019 -5.248 1.00 0.00 N ATOM 400 CA ALA A 26 -6.620 -2.784 -4.632 1.00 0.00 C ATOM 401 C ALA A 26 -6.768 -1.735 -5.727 1.00 0.00 C ATOM 402 O ALA A 26 -7.784 -1.060 -5.824 1.00 0.00 O ATOM 403 CB ALA A 26 -5.538 -2.331 -3.665 1.00 0.00 C ATOM 0 H ALA A 26 -5.406 -4.473 -4.741 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.569 -2.924 -4.114 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.846 -1.403 -3.183 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.382 -3.099 -2.908 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.609 -2.165 -4.210 1.00 0.00 H new ATOM 409 N ASN A 27 -5.727 -1.643 -6.552 1.00 0.00 N ATOM 410 CA ASN A 27 -5.620 -0.780 -7.710 1.00 0.00 C ATOM 411 C ASN A 27 -6.630 -1.105 -8.795 1.00 0.00 C ATOM 412 O ASN A 27 -7.216 -0.194 -9.373 1.00 0.00 O ATOM 413 CB ASN A 27 -4.249 -1.010 -8.315 1.00 0.00 C ATOM 414 CG ASN A 27 -3.345 0.166 -7.981 1.00 0.00 C ATOM 415 OD1 ASN A 27 -3.635 1.305 -8.328 1.00 0.00 O ATOM 416 ND2 ASN A 27 -2.283 -0.109 -7.237 1.00 0.00 N ATOM 0 H ASN A 27 -4.888 -2.207 -6.415 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.795 0.243 -7.376 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -3.819 -1.934 -7.929 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -4.331 -1.124 -9.396 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -1.667 0.644 -6.929 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -2.081 -1.073 -6.972 1.00 0.00 H new ATOM 423 N ARG A 28 -6.775 -2.396 -9.109 1.00 0.00 N ATOM 424 CA ARG A 28 -7.692 -2.871 -10.142 1.00 0.00 C ATOM 425 C ARG A 28 -9.061 -2.280 -9.882 1.00 0.00 C ATOM 426 O ARG A 28 -9.712 -1.740 -10.773 1.00 0.00 O ATOM 427 CB ARG A 28 -7.825 -4.389 -10.090 1.00 0.00 C ATOM 428 CG ARG A 28 -6.596 -5.094 -10.656 1.00 0.00 C ATOM 429 CD ARG A 28 -6.918 -6.582 -10.773 1.00 0.00 C ATOM 430 NE ARG A 28 -8.073 -6.784 -11.654 1.00 0.00 N ATOM 431 CZ ARG A 28 -9.063 -7.656 -11.422 1.00 0.00 C ATOM 432 NH1 ARG A 28 -9.017 -8.475 -10.366 1.00 0.00 N ATOM 433 NH2 ARG A 28 -10.105 -7.706 -12.257 1.00 0.00 N ATOM 0 H ARG A 28 -6.255 -3.143 -8.649 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.304 -2.572 -11.116 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -7.979 -4.704 -9.058 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -8.708 -4.694 -10.652 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.336 -4.683 -11.631 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.735 -4.940 -10.005 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -6.054 -7.118 -11.166 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.128 -6.995 -9.786 1.00 0.00 H new ATOM 0 HE ARG A 28 -8.126 -6.221 -12.503 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -8.222 -8.440 -9.727 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -9.777 -9.135 -10.199 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -10.142 -7.083 -13.064 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -10.863 -8.367 -12.088 1.00 0.00 H new ATOM 447 N PHE A 29 -9.490 -2.405 -8.632 1.00 0.00 N ATOM 448 CA PHE A 29 -10.727 -1.808 -8.207 1.00 0.00 C ATOM 449 C PHE A 29 -10.523 -0.305 -8.212 1.00 0.00 C ATOM 450 O PHE A 29 -9.720 0.232 -7.457 1.00 0.00 O ATOM 451 CB PHE A 29 -11.080 -2.375 -6.842 1.00 0.00 C ATOM 452 CG PHE A 29 -11.268 -3.876 -6.915 1.00 0.00 C ATOM 453 CD1 PHE A 29 -11.880 -4.441 -8.050 1.00 0.00 C ATOM 454 CD2 PHE A 29 -10.598 -4.709 -6.007 1.00 0.00 C ATOM 455 CE1 PHE A 29 -11.822 -5.824 -8.279 1.00 0.00 C ATOM 456 CE2 PHE A 29 -10.575 -6.098 -6.214 1.00 0.00 C ATOM 457 CZ PHE A 29 -11.162 -6.655 -7.360 1.00 0.00 C ATOM 0 H PHE A 29 -8.992 -2.916 -7.903 1.00 0.00 H new ATOM 0 HA PHE A 29 -11.566 -2.031 -8.866 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -10.290 -2.137 -6.129 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -11.993 -1.907 -6.474 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -12.399 -3.804 -8.751 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -10.100 -4.282 -5.149 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -12.283 -6.248 -9.159 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -10.102 -6.741 -5.486 1.00 0.00 H new ATOM 0 HZ PHE A 29 -11.106 -7.719 -7.535 1.00 0.00 H new ATOM 467 N THR A 30 -11.294 0.380 -9.048 1.00 0.00 N ATOM 468 CA THR A 30 -11.169 1.816 -9.263 1.00 0.00 C ATOM 469 C THR A 30 -11.815 2.578 -8.114 1.00 0.00 C ATOM 470 O THR A 30 -12.834 3.253 -8.255 1.00 0.00 O ATOM 471 CB THR A 30 -11.716 2.178 -10.642 1.00 0.00 C ATOM 472 OG1 THR A 30 -11.658 3.571 -10.849 1.00 0.00 O ATOM 473 CG2 THR A 30 -13.154 1.712 -10.843 1.00 0.00 C ATOM 0 H THR A 30 -12.033 -0.052 -9.603 1.00 0.00 H new ATOM 0 HA THR A 30 -10.121 2.115 -9.262 1.00 0.00 H new ATOM 0 HB THR A 30 -11.086 1.661 -11.366 1.00 0.00 H new ATOM 0 HG1 THR A 30 -12.011 3.785 -11.738 1.00 0.00 H new ATOM 0 HG21 THR A 30 -13.492 1.995 -11.840 1.00 0.00 H new ATOM 0 HG22 THR A 30 -13.203 0.628 -10.738 1.00 0.00 H new ATOM 0 HG23 THR A 30 -13.796 2.179 -10.096 1.00 0.00 H new ATOM 481 N SER A 31 -11.161 2.442 -6.971 1.00 0.00 N ATOM 482 CA SER A 31 -11.524 2.924 -5.676 1.00 0.00 C ATOM 483 C SER A 31 -10.307 3.541 -5.018 1.00 0.00 C ATOM 484 O SER A 31 -9.184 3.082 -5.218 1.00 0.00 O ATOM 485 CB SER A 31 -11.979 1.707 -4.863 1.00 0.00 C ATOM 486 OG SER A 31 -12.824 0.873 -5.645 1.00 0.00 O ATOM 0 H SER A 31 -10.275 1.938 -6.940 1.00 0.00 H new ATOM 0 HA SER A 31 -12.312 3.674 -5.737 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.110 1.141 -4.527 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.510 2.037 -3.970 1.00 0.00 H new ATOM 0 HG SER A 31 -12.847 -0.026 -5.256 1.00 0.00 H new ATOM 492 N ASP A 32 -10.530 4.571 -4.210 1.00 0.00 N ATOM 493 CA ASP A 32 -9.476 5.160 -3.416 1.00 0.00 C ATOM 494 C ASP A 32 -9.279 4.178 -2.268 1.00 0.00 C ATOM 495 O ASP A 32 -9.921 4.272 -1.227 1.00 0.00 O ATOM 496 CB ASP A 32 -9.952 6.542 -2.999 1.00 0.00 C ATOM 497 CG ASP A 32 -8.993 7.289 -2.092 1.00 0.00 C ATOM 498 OD1 ASP A 32 -7.778 7.025 -2.198 1.00 0.00 O ATOM 499 OD2 ASP A 32 -9.500 8.130 -1.320 1.00 0.00 O ATOM 0 H ASP A 32 -11.441 5.013 -4.092 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.520 5.310 -3.917 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.125 7.139 -3.895 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.911 6.444 -2.491 1.00 0.00 H new ATOM 504 N VAL A 33 -8.505 3.141 -2.559 1.00 0.00 N ATOM 505 CA VAL A 33 -8.300 2.001 -1.690 1.00 0.00 C ATOM 506 C VAL A 33 -7.379 2.337 -0.528 1.00 0.00 C ATOM 507 O VAL A 33 -6.419 3.100 -0.660 1.00 0.00 O ATOM 508 CB VAL A 33 -7.802 0.828 -2.533 1.00 0.00 C ATOM 509 CG1 VAL A 33 -7.646 -0.436 -1.698 1.00 0.00 C ATOM 510 CG2 VAL A 33 -8.849 0.550 -3.606 1.00 0.00 C ATOM 0 H VAL A 33 -7.988 3.073 -3.436 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.244 1.714 -1.227 1.00 0.00 H new ATOM 0 HB VAL A 33 -6.832 1.089 -2.955 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -7.290 -1.249 -2.331 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.927 -0.257 -0.899 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -8.609 -0.708 -1.266 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -8.522 -0.285 -4.226 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.798 0.300 -3.132 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -8.977 1.436 -4.228 1.00 0.00 H new ATOM 520 N PHE A 34 -7.658 1.726 0.617 1.00 0.00 N ATOM 521 CA PHE A 34 -6.907 1.974 1.827 1.00 0.00 C ATOM 522 C PHE A 34 -6.535 0.700 2.560 1.00 0.00 C ATOM 523 O PHE A 34 -7.038 -0.382 2.272 1.00 0.00 O ATOM 524 CB PHE A 34 -7.689 2.872 2.786 1.00 0.00 C ATOM 525 CG PHE A 34 -8.102 4.202 2.213 1.00 0.00 C ATOM 526 CD1 PHE A 34 -7.121 5.135 1.838 1.00 0.00 C ATOM 527 CD2 PHE A 34 -9.460 4.474 1.981 1.00 0.00 C ATOM 528 CE1 PHE A 34 -7.501 6.355 1.257 1.00 0.00 C ATOM 529 CE2 PHE A 34 -9.841 5.692 1.395 1.00 0.00 C ATOM 530 CZ PHE A 34 -8.861 6.639 1.051 1.00 0.00 C ATOM 0 H PHE A 34 -8.411 1.047 0.726 1.00 0.00 H new ATOM 0 HA PHE A 34 -5.990 2.469 1.508 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -8.583 2.340 3.112 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -7.081 3.048 3.673 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -6.076 4.914 1.997 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -10.211 3.747 2.253 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -6.749 7.074 0.969 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -10.884 5.901 1.209 1.00 0.00 H new ATOM 0 HZ PHE A 34 -9.155 7.588 0.627 1.00 0.00 H new ATOM 540 N LEU A 35 -5.651 0.859 3.531 1.00 0.00 N ATOM 541 CA LEU A 35 -5.263 -0.178 4.454 1.00 0.00 C ATOM 542 C LEU A 35 -4.991 0.552 5.753 1.00 0.00 C ATOM 543 O LEU A 35 -4.284 1.557 5.744 1.00 0.00 O ATOM 544 CB LEU A 35 -4.047 -0.933 3.941 1.00 0.00 C ATOM 545 CG LEU A 35 -3.834 -2.163 4.814 1.00 0.00 C ATOM 546 CD1 LEU A 35 -4.998 -3.129 4.608 1.00 0.00 C ATOM 547 CD2 LEU A 35 -2.529 -2.845 4.422 1.00 0.00 C ATOM 0 H LEU A 35 -5.172 1.744 3.698 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.031 -0.940 4.584 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.195 -1.228 2.902 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.165 -0.293 3.968 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.784 -1.867 5.862 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.852 -4.012 5.230 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.931 -2.639 4.886 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.043 -3.426 3.560 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.376 -3.725 5.047 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.576 -3.146 3.376 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.700 -2.152 4.563 1.00 0.00 H new ATOM 559 N GLU A 36 -5.606 0.104 6.839 1.00 0.00 N ATOM 560 CA GLU A 36 -5.554 0.827 8.093 1.00 0.00 C ATOM 561 C GLU A 36 -4.924 -0.026 9.182 1.00 0.00 C ATOM 562 O GLU A 36 -5.620 -0.849 9.772 1.00 0.00 O ATOM 563 CB GLU A 36 -6.978 1.206 8.500 1.00 0.00 C ATOM 564 CG GLU A 36 -7.845 1.541 7.288 1.00 0.00 C ATOM 565 CD GLU A 36 -9.234 1.955 7.738 1.00 0.00 C ATOM 566 OE1 GLU A 36 -10.005 1.046 8.108 1.00 0.00 O ATOM 567 OE2 GLU A 36 -9.493 3.177 7.718 1.00 0.00 O ATOM 0 H GLU A 36 -6.147 -0.760 6.872 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.945 1.722 7.964 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.429 0.382 9.053 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.948 2.063 9.173 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.386 2.346 6.714 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.911 0.676 6.628 1.00 0.00 H new ATOM 574 N LYS A 37 -3.644 0.185 9.482 1.00 0.00 N ATOM 575 CA LYS A 37 -2.898 -0.535 10.500 1.00 0.00 C ATOM 576 C LYS A 37 -3.570 -0.303 11.842 1.00 0.00 C ATOM 577 O LYS A 37 -3.346 0.730 12.472 1.00 0.00 O ATOM 578 CB LYS A 37 -1.456 -0.034 10.496 1.00 0.00 C ATOM 579 CG LYS A 37 -0.776 -0.318 9.158 1.00 0.00 C ATOM 580 CD LYS A 37 0.163 -1.522 9.273 1.00 0.00 C ATOM 581 CE LYS A 37 1.169 -1.316 10.403 1.00 0.00 C ATOM 582 NZ LYS A 37 2.183 -0.311 10.047 1.00 0.00 N ATOM 0 H LYS A 37 -3.082 0.888 9.003 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.886 -1.607 10.302 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.440 1.038 10.695 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.899 -0.516 11.300 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -1.530 -0.510 8.395 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.214 0.559 8.837 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.418 -2.426 9.457 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.692 -1.669 8.331 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.645 -1.001 11.305 1.00 0.00 H new ATOM 0 HE3 LYS A 37 1.658 -2.262 10.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 2.558 0.126 10.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 2.958 -0.769 9.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 1.750 0.422 9.449 1.00 0.00 H new ATOM 596 N ASP A 38 -4.458 -1.222 12.228 1.00 0.00 N ATOM 597 CA ASP A 38 -5.294 -1.087 13.408 1.00 0.00 C ATOM 598 C ASP A 38 -6.038 0.248 13.355 1.00 0.00 C ATOM 599 O ASP A 38 -6.286 0.863 14.389 1.00 0.00 O ATOM 600 CB ASP A 38 -4.439 -1.180 14.667 1.00 0.00 C ATOM 601 CG ASP A 38 -3.753 -2.535 14.780 1.00 0.00 C ATOM 602 OD1 ASP A 38 -2.630 -2.657 14.245 1.00 0.00 O ATOM 603 OD2 ASP A 38 -4.373 -3.431 15.392 1.00 0.00 O ATOM 0 H ASP A 38 -4.614 -2.091 11.717 1.00 0.00 H new ATOM 0 HA ASP A 38 -6.025 -1.895 13.432 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -3.687 -0.391 14.656 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.063 -1.013 15.545 1.00 0.00 H new ATOM 608 N GLY A 39 -6.373 0.719 12.149 1.00 0.00 N ATOM 609 CA GLY A 39 -7.022 2.009 12.026 1.00 0.00 C ATOM 610 C GLY A 39 -6.166 3.026 11.272 1.00 0.00 C ATOM 611 O GLY A 39 -6.699 3.955 10.671 1.00 0.00 O ATOM 0 H GLY A 39 -6.206 0.232 11.268 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.973 1.885 11.509 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -7.247 2.395 13.020 1.00 0.00 H new ATOM 615 N LYS A 40 -4.841 2.861 11.266 1.00 0.00 N ATOM 616 CA LYS A 40 -3.952 3.798 10.607 1.00 0.00 C ATOM 617 C LYS A 40 -4.050 3.579 9.105 1.00 0.00 C ATOM 618 O LYS A 40 -3.337 2.739 8.571 1.00 0.00 O ATOM 619 CB LYS A 40 -2.529 3.537 11.103 1.00 0.00 C ATOM 620 CG LYS A 40 -2.451 3.600 12.628 1.00 0.00 C ATOM 621 CD LYS A 40 -2.874 4.980 13.136 1.00 0.00 C ATOM 622 CE LYS A 40 -1.908 6.039 12.606 1.00 0.00 C ATOM 623 NZ LYS A 40 -2.334 7.394 12.994 1.00 0.00 N ATOM 0 H LYS A 40 -4.365 2.079 11.716 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.224 4.830 10.831 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.196 2.557 10.760 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.851 4.273 10.672 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.095 2.835 13.062 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.434 3.383 12.954 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.890 5.203 12.809 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.880 4.991 14.226 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -0.907 5.846 12.991 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.850 5.971 11.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -1.659 8.091 12.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.280 7.585 12.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -2.365 7.464 14.031 1.00 0.00 H new ATOM 637 N LYS A 41 -4.950 4.272 8.415 1.00 0.00 N ATOM 638 CA LYS A 41 -5.129 3.975 7.009 1.00 0.00 C ATOM 639 C LYS A 41 -4.291 4.798 6.046 1.00 0.00 C ATOM 640 O LYS A 41 -3.927 5.945 6.301 1.00 0.00 O ATOM 641 CB LYS A 41 -6.613 3.962 6.661 1.00 0.00 C ATOM 642 CG LYS A 41 -7.063 4.865 5.522 1.00 0.00 C ATOM 643 CD LYS A 41 -6.848 6.340 5.864 1.00 0.00 C ATOM 644 CE LYS A 41 -7.329 7.215 4.706 1.00 0.00 C ATOM 645 NZ LYS A 41 -8.746 6.961 4.393 1.00 0.00 N ATOM 0 H LYS A 41 -5.542 5.012 8.791 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.725 2.974 6.862 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -6.894 2.938 6.413 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.173 4.239 7.554 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.510 4.615 4.617 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.118 4.689 5.310 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.391 6.595 6.774 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -5.792 6.527 6.059 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.194 8.266 4.962 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -6.719 7.021 3.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -9.237 7.866 4.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.813 6.387 3.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.190 6.450 5.183 1.00 0.00 H new ATOM 659 N VAL A 42 -4.046 4.167 4.901 1.00 0.00 N ATOM 660 CA VAL A 42 -3.265 4.677 3.788 1.00 0.00 C ATOM 661 C VAL A 42 -3.815 4.127 2.489 1.00 0.00 C ATOM 662 O VAL A 42 -4.664 3.241 2.518 1.00 0.00 O ATOM 663 CB VAL A 42 -1.819 4.210 3.934 1.00 0.00 C ATOM 664 CG1 VAL A 42 -1.283 4.667 5.278 1.00 0.00 C ATOM 665 CG2 VAL A 42 -1.755 2.684 3.875 1.00 0.00 C ATOM 0 H VAL A 42 -4.410 3.232 4.719 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.314 5.766 3.784 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.224 4.632 3.124 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.250 4.337 5.389 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.324 5.755 5.335 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.889 4.238 6.076 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.720 2.359 3.980 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.351 2.263 4.685 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.148 2.340 2.918 1.00 0.00 H new ATOM 675 N ASN A 43 -3.337 4.629 1.350 1.00 0.00 N ATOM 676 CA ASN A 43 -3.738 4.096 0.069 1.00 0.00 C ATOM 677 C ASN A 43 -3.182 2.705 -0.103 1.00 0.00 C ATOM 678 O ASN A 43 -2.010 2.527 -0.422 1.00 0.00 O ATOM 679 CB ASN A 43 -3.287 4.985 -1.081 1.00 0.00 C ATOM 680 CG ASN A 43 -4.301 6.080 -1.336 1.00 0.00 C ATOM 681 OD1 ASN A 43 -3.934 7.223 -1.581 1.00 0.00 O ATOM 682 ND2 ASN A 43 -5.581 5.736 -1.276 1.00 0.00 N ATOM 0 H ASN A 43 -2.674 5.402 1.299 1.00 0.00 H new ATOM 0 HA ASN A 43 -4.827 4.061 0.049 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -2.318 5.426 -0.848 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.156 4.386 -1.982 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.305 6.436 -1.437 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -5.841 4.772 -1.069 1.00 0.00 H new ATOM 689 N ALA A 44 -4.081 1.744 0.056 1.00 0.00 N ATOM 690 CA ALA A 44 -3.841 0.318 -0.068 1.00 0.00 C ATOM 691 C ALA A 44 -3.091 -0.015 -1.351 1.00 0.00 C ATOM 692 O ALA A 44 -2.151 -0.805 -1.351 1.00 0.00 O ATOM 693 CB ALA A 44 -5.195 -0.381 -0.141 1.00 0.00 C ATOM 0 H ALA A 44 -5.052 1.953 0.288 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.246 -0.006 0.786 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.045 -1.456 -0.235 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.762 -0.172 0.766 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.747 -0.015 -1.007 1.00 0.00 H new ATOM 699 N LYS A 45 -3.536 0.596 -2.446 1.00 0.00 N ATOM 700 CA LYS A 45 -2.969 0.371 -3.764 1.00 0.00 C ATOM 701 C LYS A 45 -1.759 1.268 -4.036 1.00 0.00 C ATOM 702 O LYS A 45 -1.132 1.167 -5.089 1.00 0.00 O ATOM 703 CB LYS A 45 -4.053 0.614 -4.807 1.00 0.00 C ATOM 704 CG LYS A 45 -4.603 2.030 -4.654 1.00 0.00 C ATOM 705 CD LYS A 45 -5.337 2.427 -5.929 1.00 0.00 C ATOM 706 CE LYS A 45 -6.665 1.676 -6.032 1.00 0.00 C ATOM 707 NZ LYS A 45 -7.365 1.979 -7.291 1.00 0.00 N ATOM 0 H LYS A 45 -4.306 1.265 -2.439 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.613 -0.658 -3.816 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.645 0.478 -5.809 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.856 -0.114 -4.688 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.280 2.079 -3.801 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.790 2.729 -4.456 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.518 3.502 -5.933 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.717 2.205 -6.798 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.483 0.603 -5.966 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.301 1.944 -5.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.209 1.377 -7.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.651 2.979 -7.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.730 1.796 -8.094 1.00 0.00 H new ATOM 721 N SER A 46 -1.465 2.196 -3.130 1.00 0.00 N ATOM 722 CA SER A 46 -0.314 3.053 -3.273 1.00 0.00 C ATOM 723 C SER A 46 0.842 2.567 -2.398 1.00 0.00 C ATOM 724 O SER A 46 0.748 1.580 -1.664 1.00 0.00 O ATOM 725 CB SER A 46 -0.713 4.494 -2.946 1.00 0.00 C ATOM 726 OG SER A 46 0.342 5.388 -3.257 1.00 0.00 O ATOM 0 H SER A 46 -2.016 2.367 -2.289 1.00 0.00 H new ATOM 0 HA SER A 46 0.039 3.019 -4.304 1.00 0.00 H new ATOM 0 HB2 SER A 46 -1.605 4.766 -3.509 1.00 0.00 H new ATOM 0 HB3 SER A 46 -0.966 4.576 -1.889 1.00 0.00 H new ATOM 0 HG SER A 46 0.068 6.304 -3.043 1.00 0.00 H new ATOM 732 N ILE A 47 1.932 3.325 -2.479 1.00 0.00 N ATOM 733 CA ILE A 47 3.166 3.134 -1.742 1.00 0.00 C ATOM 734 C ILE A 47 2.900 3.072 -0.248 1.00 0.00 C ATOM 735 O ILE A 47 3.402 2.197 0.446 1.00 0.00 O ATOM 736 CB ILE A 47 4.104 4.308 -2.043 1.00 0.00 C ATOM 737 CG1 ILE A 47 5.470 4.063 -1.390 1.00 0.00 C ATOM 738 CG2 ILE A 47 3.480 5.622 -1.547 1.00 0.00 C ATOM 739 CD1 ILE A 47 5.476 4.448 0.089 1.00 0.00 C ATOM 0 H ILE A 47 1.974 4.134 -3.098 1.00 0.00 H new ATOM 0 HA ILE A 47 3.621 2.192 -2.049 1.00 0.00 H new ATOM 0 HB ILE A 47 4.249 4.389 -3.120 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.737 3.011 -1.492 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.232 4.637 -1.917 1.00 0.00 H new ATOM 0 HG21 ILE A 47 4.154 6.450 -1.766 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.528 5.786 -2.052 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.315 5.563 -0.471 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.463 4.258 0.510 1.00 0.00 H new ATOM 0 HD12 ILE A 47 5.236 5.506 0.190 1.00 0.00 H new ATOM 0 HD13 ILE A 47 4.733 3.855 0.622 1.00 0.00 H new ATOM 751 N MET A 48 2.126 4.016 0.273 1.00 0.00 N ATOM 752 CA MET A 48 1.945 4.059 1.699 1.00 0.00 C ATOM 753 C MET A 48 1.136 2.859 2.179 1.00 0.00 C ATOM 754 O MET A 48 1.247 2.468 3.339 1.00 0.00 O ATOM 755 CB MET A 48 1.374 5.424 2.068 1.00 0.00 C ATOM 756 CG MET A 48 1.119 5.520 3.571 1.00 0.00 C ATOM 757 SD MET A 48 0.451 7.106 4.120 1.00 0.00 S ATOM 758 CE MET A 48 1.709 8.202 3.436 1.00 0.00 C ATOM 0 H MET A 48 1.633 4.735 -0.257 1.00 0.00 H new ATOM 0 HA MET A 48 2.893 3.964 2.228 1.00 0.00 H new ATOM 0 HB2 MET A 48 2.067 6.207 1.762 1.00 0.00 H new ATOM 0 HB3 MET A 48 0.444 5.592 1.526 1.00 0.00 H new ATOM 0 HG2 MET A 48 0.427 4.729 3.860 1.00 0.00 H new ATOM 0 HG3 MET A 48 2.055 5.333 4.098 1.00 0.00 H new ATOM 0 HE1 MET A 48 1.786 9.098 4.053 1.00 0.00 H new ATOM 0 HE2 MET A 48 2.670 7.688 3.421 1.00 0.00 H new ATOM 0 HE3 MET A 48 1.433 8.484 2.420 1.00 0.00 H new ATOM 768 N GLY A 49 0.344 2.248 1.301 1.00 0.00 N ATOM 769 CA GLY A 49 -0.270 0.993 1.639 1.00 0.00 C ATOM 770 C GLY A 49 0.817 -0.073 1.525 1.00 0.00 C ATOM 771 O GLY A 49 1.309 -0.527 2.547 1.00 0.00 O ATOM 0 H GLY A 49 0.123 2.603 0.371 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.679 1.022 2.649 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.099 0.774 0.966 1.00 0.00 H new ATOM 775 N LEU A 50 1.243 -0.434 0.311 1.00 0.00 N ATOM 776 CA LEU A 50 2.239 -1.473 0.077 1.00 0.00 C ATOM 777 C LEU A 50 3.507 -1.329 0.906 1.00 0.00 C ATOM 778 O LEU A 50 3.822 -2.162 1.748 1.00 0.00 O ATOM 779 CB LEU A 50 2.714 -1.379 -1.368 1.00 0.00 C ATOM 780 CG LEU A 50 2.711 -2.736 -2.071 1.00 0.00 C ATOM 781 CD1 LEU A 50 3.349 -2.595 -3.448 1.00 0.00 C ATOM 782 CD2 LEU A 50 3.512 -3.759 -1.275 1.00 0.00 C ATOM 0 H LEU A 50 0.898 -0.004 -0.547 1.00 0.00 H new ATOM 0 HA LEU A 50 1.742 -2.407 0.338 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.072 -0.688 -1.915 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.721 -0.963 -1.390 1.00 0.00 H new ATOM 0 HG LEU A 50 1.678 -3.073 -2.157 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.347 -3.562 -3.950 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.781 -1.877 -4.040 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.375 -2.244 -3.339 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.496 -4.717 -1.794 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.542 -3.417 -1.176 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.071 -3.875 -0.285 1.00 0.00 H new ATOM 794 N MET A 51 4.267 -0.283 0.592 1.00 0.00 N ATOM 795 CA MET A 51 5.579 -0.048 1.135 1.00 0.00 C ATOM 796 C MET A 51 5.504 0.414 2.581 1.00 0.00 C ATOM 797 O MET A 51 6.391 0.105 3.370 1.00 0.00 O ATOM 798 CB MET A 51 6.276 1.023 0.294 1.00 0.00 C ATOM 799 CG MET A 51 7.731 1.132 0.747 1.00 0.00 C ATOM 800 SD MET A 51 8.282 2.820 1.062 1.00 0.00 S ATOM 801 CE MET A 51 7.127 3.232 2.386 1.00 0.00 C ATOM 0 H MET A 51 3.969 0.437 -0.066 1.00 0.00 H new ATOM 0 HA MET A 51 6.140 -0.982 1.108 1.00 0.00 H new ATOM 0 HB2 MET A 51 6.228 0.763 -0.764 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.771 1.982 0.410 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.862 0.543 1.655 1.00 0.00 H new ATOM 0 HG3 MET A 51 8.372 0.689 -0.016 1.00 0.00 H new ATOM 0 HE1 MET A 51 7.147 4.307 2.565 1.00 0.00 H new ATOM 0 HE2 MET A 51 6.120 2.931 2.097 1.00 0.00 H new ATOM 0 HE3 MET A 51 7.415 2.707 3.297 1.00 0.00 H new ATOM 811 N SER A 52 4.508 1.235 2.908 1.00 0.00 N ATOM 812 CA SER A 52 4.424 1.753 4.262 1.00 0.00 C ATOM 813 C SER A 52 3.765 0.793 5.255 1.00 0.00 C ATOM 814 O SER A 52 4.436 0.123 6.033 1.00 0.00 O ATOM 815 CB SER A 52 3.749 3.124 4.279 1.00 0.00 C ATOM 816 OG SER A 52 4.355 3.995 3.344 1.00 0.00 O ATOM 0 H SER A 52 3.772 1.545 2.274 1.00 0.00 H new ATOM 0 HA SER A 52 5.452 1.863 4.606 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.689 3.015 4.047 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.814 3.554 5.278 1.00 0.00 H new ATOM 0 HG SER A 52 4.145 4.923 3.578 1.00 0.00 H new ATOM 822 N LEU A 53 2.434 0.770 5.271 1.00 0.00 N ATOM 823 CA LEU A 53 1.668 0.070 6.287 1.00 0.00 C ATOM 824 C LEU A 53 1.541 -1.420 6.037 1.00 0.00 C ATOM 825 O LEU A 53 1.882 -2.225 6.899 1.00 0.00 O ATOM 826 CB LEU A 53 0.276 0.684 6.362 1.00 0.00 C ATOM 827 CG LEU A 53 0.301 2.062 7.012 1.00 0.00 C ATOM 828 CD1 LEU A 53 1.099 3.069 6.190 1.00 0.00 C ATOM 829 CD2 LEU A 53 -1.146 2.510 7.051 1.00 0.00 C ATOM 0 H LEU A 53 1.858 1.241 4.573 1.00 0.00 H new ATOM 0 HA LEU A 53 2.210 0.182 7.226 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.141 0.763 5.358 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.382 0.026 6.930 1.00 0.00 H new ATOM 0 HG LEU A 53 0.770 2.008 7.995 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.090 4.037 6.691 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.128 2.723 6.089 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.651 3.168 5.201 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.209 3.498 7.507 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.541 2.553 6.036 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.731 1.801 7.638 1.00 0.00 H new ATOM 841 N ALA A 54 1.003 -1.774 4.874 1.00 0.00 N ATOM 842 CA ALA A 54 0.758 -3.131 4.423 1.00 0.00 C ATOM 843 C ALA A 54 2.025 -3.980 4.457 1.00 0.00 C ATOM 844 O ALA A 54 1.951 -5.183 4.674 1.00 0.00 O ATOM 845 CB ALA A 54 0.133 -3.075 3.031 1.00 0.00 C ATOM 0 H ALA A 54 0.712 -1.080 4.186 1.00 0.00 H new ATOM 0 HA ALA A 54 0.063 -3.621 5.105 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.058 -4.088 2.677 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.806 -2.523 3.076 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.816 -2.574 2.345 1.00 0.00 H new ATOM 851 N VAL A 55 3.200 -3.375 4.287 1.00 0.00 N ATOM 852 CA VAL A 55 4.449 -4.113 4.397 1.00 0.00 C ATOM 853 C VAL A 55 4.717 -4.572 5.839 1.00 0.00 C ATOM 854 O VAL A 55 5.644 -5.331 6.114 1.00 0.00 O ATOM 855 CB VAL A 55 5.603 -3.275 3.848 1.00 0.00 C ATOM 856 CG1 VAL A 55 6.026 -2.226 4.872 1.00 0.00 C ATOM 857 CG2 VAL A 55 6.792 -4.182 3.542 1.00 0.00 C ATOM 0 H VAL A 55 3.309 -2.383 4.074 1.00 0.00 H new ATOM 0 HA VAL A 55 4.364 -5.018 3.795 1.00 0.00 H new ATOM 0 HB VAL A 55 5.273 -2.776 2.937 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.849 -1.635 4.469 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.183 -1.571 5.092 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.349 -2.721 5.788 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.615 -3.584 3.150 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.111 -4.684 4.455 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.500 -4.927 2.801 1.00 0.00 H new ATOM 867 N SER A 56 3.905 -4.131 6.796 1.00 0.00 N ATOM 868 CA SER A 56 4.101 -4.529 8.166 1.00 0.00 C ATOM 869 C SER A 56 3.450 -5.879 8.423 1.00 0.00 C ATOM 870 O SER A 56 2.432 -5.949 9.115 1.00 0.00 O ATOM 871 CB SER A 56 3.568 -3.447 9.110 1.00 0.00 C ATOM 872 OG SER A 56 3.973 -2.158 8.684 1.00 0.00 O ATOM 0 H SER A 56 3.116 -3.504 6.640 1.00 0.00 H new ATOM 0 HA SER A 56 5.168 -4.640 8.360 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.480 -3.496 9.148 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.931 -3.631 10.121 1.00 0.00 H new ATOM 0 HG SER A 56 3.367 -1.840 7.983 1.00 0.00 H new ATOM 878 N THR A 57 4.028 -6.937 7.845 1.00 0.00 N ATOM 879 CA THR A 57 3.650 -8.321 8.080 1.00 0.00 C ATOM 880 C THR A 57 3.258 -8.537 9.543 1.00 0.00 C ATOM 881 O THR A 57 4.059 -8.321 10.448 1.00 0.00 O ATOM 882 CB THR A 57 4.839 -9.208 7.712 1.00 0.00 C ATOM 883 OG1 THR A 57 5.262 -8.896 6.403 1.00 0.00 O ATOM 884 CG2 THR A 57 4.430 -10.674 7.783 1.00 0.00 C ATOM 0 H THR A 57 4.796 -6.843 7.180 1.00 0.00 H new ATOM 0 HA THR A 57 2.785 -8.576 7.467 1.00 0.00 H new ATOM 0 HB THR A 57 5.655 -9.032 8.413 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.116 -9.341 6.220 1.00 0.00 H new ATOM 0 HG21 THR A 57 5.281 -11.302 7.520 1.00 0.00 H new ATOM 0 HG22 THR A 57 4.103 -10.912 8.795 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.613 -10.858 7.085 1.00 0.00 H new ATOM 892 N GLY A 58 2.009 -8.937 9.768 1.00 0.00 N ATOM 893 CA GLY A 58 1.488 -9.156 11.103 1.00 0.00 C ATOM 894 C GLY A 58 0.550 -8.051 11.575 1.00 0.00 C ATOM 895 O GLY A 58 -0.143 -8.233 12.571 1.00 0.00 O ATOM 0 H GLY A 58 1.334 -9.117 9.025 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.957 -10.108 11.126 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.321 -9.238 11.801 1.00 0.00 H new ATOM 899 N THR A 59 0.473 -6.916 10.878 1.00 0.00 N ATOM 900 CA THR A 59 -0.414 -5.868 11.348 1.00 0.00 C ATOM 901 C THR A 59 -1.841 -6.195 10.936 1.00 0.00 C ATOM 902 O THR A 59 -2.056 -6.710 9.840 1.00 0.00 O ATOM 903 CB THR A 59 -0.010 -4.505 10.784 1.00 0.00 C ATOM 904 OG1 THR A 59 1.369 -4.269 10.974 1.00 0.00 O ATOM 905 CG2 THR A 59 -0.793 -3.414 11.512 1.00 0.00 C ATOM 0 H THR A 59 0.992 -6.709 10.024 1.00 0.00 H new ATOM 0 HA THR A 59 -0.343 -5.816 12.434 1.00 0.00 H new ATOM 0 HB THR A 59 -0.228 -4.494 9.716 1.00 0.00 H new ATOM 0 HG1 THR A 59 1.887 -4.913 10.448 1.00 0.00 H new ATOM 0 HG21 THR A 59 -0.511 -2.438 11.116 1.00 0.00 H new ATOM 0 HG22 THR A 59 -1.861 -3.572 11.363 1.00 0.00 H new ATOM 0 HG23 THR A 59 -0.566 -3.453 12.577 1.00 0.00 H new ATOM 913 N GLU A 60 -2.806 -5.896 11.805 1.00 0.00 N ATOM 914 CA GLU A 60 -4.207 -6.068 11.475 1.00 0.00 C ATOM 915 C GLU A 60 -4.677 -4.755 10.859 1.00 0.00 C ATOM 916 O GLU A 60 -5.126 -3.847 11.555 1.00 0.00 O ATOM 917 CB GLU A 60 -5.010 -6.417 12.724 1.00 0.00 C ATOM 918 CG GLU A 60 -4.294 -7.482 13.557 1.00 0.00 C ATOM 919 CD GLU A 60 -4.227 -8.816 12.827 1.00 0.00 C ATOM 920 OE1 GLU A 60 -5.127 -9.057 11.994 1.00 0.00 O ATOM 921 OE2 GLU A 60 -3.279 -9.574 13.121 1.00 0.00 O ATOM 0 H GLU A 60 -2.635 -5.533 12.743 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.351 -6.889 10.773 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.161 -5.521 13.326 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.997 -6.778 12.437 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.284 -7.144 13.790 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.814 -7.612 14.506 1.00 0.00 H new ATOM 928 N VAL A 61 -4.512 -4.631 9.552 1.00 0.00 N ATOM 929 CA VAL A 61 -4.856 -3.426 8.831 1.00 0.00 C ATOM 930 C VAL A 61 -6.162 -3.600 8.072 1.00 0.00 C ATOM 931 O VAL A 61 -6.397 -4.615 7.418 1.00 0.00 O ATOM 932 CB VAL A 61 -3.719 -3.062 7.886 1.00 0.00 C ATOM 933 CG1 VAL A 61 -2.460 -2.723 8.661 1.00 0.00 C ATOM 934 CG2 VAL A 61 -3.366 -4.278 7.059 1.00 0.00 C ATOM 0 H VAL A 61 -4.133 -5.371 8.962 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.000 -2.613 9.543 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.046 -2.216 7.282 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.662 -2.466 7.964 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.654 -1.875 9.318 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.158 -3.583 9.258 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.552 -4.031 6.377 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.054 -5.088 7.718 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.237 -4.593 6.485 1.00 0.00 H new ATOM 944 N THR A 62 -7.022 -2.595 8.167 1.00 0.00 N ATOM 945 CA THR A 62 -8.323 -2.597 7.539 1.00 0.00 C ATOM 946 C THR A 62 -8.215 -2.205 6.077 1.00 0.00 C ATOM 947 O THR A 62 -7.845 -1.075 5.763 1.00 0.00 O ATOM 948 CB THR A 62 -9.224 -1.619 8.292 1.00 0.00 C ATOM 949 OG1 THR A 62 -8.847 -1.573 9.653 1.00 0.00 O ATOM 950 CG2 THR A 62 -10.690 -2.032 8.199 1.00 0.00 C ATOM 0 H THR A 62 -6.825 -1.744 8.693 1.00 0.00 H new ATOM 0 HA THR A 62 -8.749 -3.600 7.579 1.00 0.00 H new ATOM 0 HB THR A 62 -9.107 -0.637 7.834 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.426 -0.944 10.132 1.00 0.00 H new ATOM 0 HG21 THR A 62 -11.305 -1.316 8.745 1.00 0.00 H new ATOM 0 HG22 THR A 62 -10.997 -2.051 7.153 1.00 0.00 H new ATOM 0 HG23 THR A 62 -10.817 -3.024 8.633 1.00 0.00 H new ATOM 958 N LEU A 63 -8.514 -3.137 5.180 1.00 0.00 N ATOM 959 CA LEU A 63 -8.498 -2.868 3.764 1.00 0.00 C ATOM 960 C LEU A 63 -9.796 -2.167 3.382 1.00 0.00 C ATOM 961 O LEU A 63 -10.883 -2.731 3.510 1.00 0.00 O ATOM 962 CB LEU A 63 -8.313 -4.191 3.032 1.00 0.00 C ATOM 963 CG LEU A 63 -7.717 -3.999 1.642 1.00 0.00 C ATOM 964 CD1 LEU A 63 -8.669 -3.234 0.729 1.00 0.00 C ATOM 965 CD2 LEU A 63 -6.397 -3.246 1.745 1.00 0.00 C ATOM 0 H LEU A 63 -8.772 -4.094 5.421 1.00 0.00 H new ATOM 0 HA LEU A 63 -7.676 -2.208 3.486 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -7.663 -4.841 3.618 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -9.276 -4.695 2.947 1.00 0.00 H new ATOM 0 HG LEU A 63 -7.548 -4.986 1.210 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.213 -3.115 -0.254 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.603 -3.788 0.631 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -8.873 -2.252 1.156 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.976 -3.112 0.749 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.569 -2.271 2.201 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.700 -3.816 2.360 1.00 0.00 H new ATOM 977 N ILE A 64 -9.666 -0.914 2.961 1.00 0.00 N ATOM 978 CA ILE A 64 -10.746 -0.070 2.492 1.00 0.00 C ATOM 979 C ILE A 64 -10.673 0.007 0.975 1.00 0.00 C ATOM 980 O ILE A 64 -9.630 -0.252 0.381 1.00 0.00 O ATOM 981 CB ILE A 64 -10.551 1.367 2.996 1.00 0.00 C ATOM 982 CG1 ILE A 64 -10.295 1.475 4.492 1.00 0.00 C ATOM 983 CG2 ILE A 64 -11.776 2.218 2.674 1.00 0.00 C ATOM 984 CD1 ILE A 64 -10.125 2.953 4.832 1.00 0.00 C ATOM 0 H ILE A 64 -8.762 -0.443 2.938 1.00 0.00 H new ATOM 0 HA ILE A 64 -11.690 -0.484 2.846 1.00 0.00 H new ATOM 0 HB ILE A 64 -9.662 1.726 2.478 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -11.126 1.047 5.053 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -9.402 0.915 4.768 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -11.620 3.233 3.039 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -11.931 2.240 1.595 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -12.654 1.790 3.158 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -9.940 3.062 5.901 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -9.282 3.360 4.274 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -11.032 3.495 4.564 1.00 0.00 H new ATOM 996 N ALA A 65 -11.756 0.430 0.339 1.00 0.00 N ATOM 997 CA ALA A 65 -11.743 0.725 -1.077 1.00 0.00 C ATOM 998 C ALA A 65 -12.815 1.758 -1.332 1.00 0.00 C ATOM 999 O ALA A 65 -13.976 1.412 -1.500 1.00 0.00 O ATOM 1000 CB ALA A 65 -11.988 -0.542 -1.882 1.00 0.00 C ATOM 0 H ALA A 65 -12.659 0.576 0.790 1.00 0.00 H new ATOM 0 HA ALA A 65 -10.773 1.114 -1.387 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -11.976 -0.305 -2.946 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.206 -1.269 -1.663 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -12.958 -0.961 -1.615 1.00 0.00 H new ATOM 1006 N GLN A 66 -12.461 3.036 -1.347 1.00 0.00 N ATOM 1007 CA GLN A 66 -13.493 4.027 -1.539 1.00 0.00 C ATOM 1008 C GLN A 66 -13.601 4.348 -3.017 1.00 0.00 C ATOM 1009 O GLN A 66 -13.166 5.393 -3.502 1.00 0.00 O ATOM 1010 CB GLN A 66 -13.245 5.197 -0.580 1.00 0.00 C ATOM 1011 CG GLN A 66 -12.148 6.138 -1.048 1.00 0.00 C ATOM 1012 CD GLN A 66 -12.637 7.580 -1.050 1.00 0.00 C ATOM 1013 OE1 GLN A 66 -12.722 8.207 -2.104 1.00 0.00 O ATOM 1014 NE2 GLN A 66 -13.023 8.110 0.105 1.00 0.00 N ATOM 0 H GLN A 66 -11.512 3.393 -1.234 1.00 0.00 H new ATOM 0 HA GLN A 66 -14.488 3.671 -1.272 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -14.170 5.761 -0.459 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -12.981 4.803 0.402 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -11.280 6.045 -0.396 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -11.825 5.857 -2.051 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -12.943 7.570 0.966 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -13.400 9.057 0.131 1.00 0.00 H new ATOM 1023 N GLY A 67 -14.137 3.396 -3.766 1.00 0.00 N ATOM 1024 CA GLY A 67 -14.214 3.508 -5.206 1.00 0.00 C ATOM 1025 C GLY A 67 -15.342 2.696 -5.799 1.00 0.00 C ATOM 1026 O GLY A 67 -16.174 2.128 -5.093 1.00 0.00 O ATOM 0 H GLY A 67 -14.527 2.531 -3.391 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -14.345 4.555 -5.477 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -13.270 3.182 -5.642 1.00 0.00 H new ATOM 1030 N GLU A 68 -15.290 2.597 -7.122 1.00 0.00 N ATOM 1031 CA GLU A 68 -16.221 1.853 -7.938 1.00 0.00 C ATOM 1032 C GLU A 68 -16.290 0.386 -7.528 1.00 0.00 C ATOM 1033 O GLU A 68 -17.333 -0.241 -7.683 1.00 0.00 O ATOM 1034 CB GLU A 68 -15.772 1.964 -9.393 1.00 0.00 C ATOM 1035 CG GLU A 68 -15.611 3.428 -9.811 1.00 0.00 C ATOM 1036 CD GLU A 68 -16.878 4.233 -9.560 1.00 0.00 C ATOM 1037 OE1 GLU A 68 -17.872 3.962 -10.266 1.00 0.00 O ATOM 1038 OE2 GLU A 68 -16.827 5.102 -8.663 1.00 0.00 O ATOM 0 H GLU A 68 -14.564 3.056 -7.672 1.00 0.00 H new ATOM 0 HA GLU A 68 -17.219 2.271 -7.805 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -14.826 1.439 -9.526 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -16.501 1.476 -10.040 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -14.783 3.874 -9.260 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -15.353 3.477 -10.869 1.00 0.00 H new ATOM 1045 N ASP A 69 -15.194 -0.185 -7.022 1.00 0.00 N ATOM 1046 CA ASP A 69 -15.224 -1.560 -6.597 1.00 0.00 C ATOM 1047 C ASP A 69 -15.121 -1.599 -5.091 1.00 0.00 C ATOM 1048 O ASP A 69 -14.697 -2.625 -4.601 1.00 0.00 O ATOM 1049 CB ASP A 69 -14.083 -2.348 -7.229 1.00 0.00 C ATOM 1050 CG ASP A 69 -14.063 -2.256 -8.749 1.00 0.00 C ATOM 1051 OD1 ASP A 69 -13.504 -1.257 -9.253 1.00 0.00 O ATOM 1052 OD2 ASP A 69 -14.563 -3.212 -9.376 1.00 0.00 O ATOM 0 H ASP A 69 -14.297 0.285 -6.904 1.00 0.00 H new ATOM 0 HA ASP A 69 -16.159 -2.020 -6.918 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -13.135 -1.981 -6.836 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -14.166 -3.394 -6.935 1.00 0.00 H new ATOM 1057 N GLU A 70 -15.565 -0.570 -4.361 1.00 0.00 N ATOM 1058 CA GLU A 70 -15.420 -0.412 -2.929 1.00 0.00 C ATOM 1059 C GLU A 70 -15.480 -1.733 -2.168 1.00 0.00 C ATOM 1060 O GLU A 70 -14.434 -2.304 -1.852 1.00 0.00 O ATOM 1061 CB GLU A 70 -16.584 0.494 -2.536 1.00 0.00 C ATOM 1062 CG GLU A 70 -16.700 0.740 -1.037 1.00 0.00 C ATOM 1063 CD GLU A 70 -18.164 0.726 -0.639 1.00 0.00 C ATOM 1064 OE1 GLU A 70 -18.843 -0.227 -1.082 1.00 0.00 O ATOM 1065 OE2 GLU A 70 -18.573 1.651 0.094 1.00 0.00 O ATOM 0 H GLU A 70 -16.061 0.213 -4.787 1.00 0.00 H new ATOM 0 HA GLU A 70 -14.443 0.001 -2.677 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -16.472 1.452 -3.043 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -17.513 0.050 -2.894 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -16.154 -0.027 -0.488 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -16.250 1.698 -0.778 1.00 0.00 H new ATOM 1072 N GLN A 71 -16.695 -2.219 -1.901 1.00 0.00 N ATOM 1073 CA GLN A 71 -16.965 -3.453 -1.184 1.00 0.00 C ATOM 1074 C GLN A 71 -16.191 -4.653 -1.739 1.00 0.00 C ATOM 1075 O GLN A 71 -15.889 -5.584 -0.992 1.00 0.00 O ATOM 1076 CB GLN A 71 -18.478 -3.676 -1.237 1.00 0.00 C ATOM 1077 CG GLN A 71 -18.945 -4.856 -0.387 1.00 0.00 C ATOM 1078 CD GLN A 71 -18.474 -4.743 1.054 1.00 0.00 C ATOM 1079 OE1 GLN A 71 -19.138 -4.154 1.903 1.00 0.00 O ATOM 1080 NE2 GLN A 71 -17.316 -5.317 1.347 1.00 0.00 N ATOM 0 H GLN A 71 -17.546 -1.739 -2.193 1.00 0.00 H new ATOM 0 HA GLN A 71 -16.621 -3.361 -0.154 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -18.984 -2.771 -0.899 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -18.778 -3.841 -2.272 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -20.033 -4.910 -0.409 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -18.571 -5.784 -0.819 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -16.787 -5.799 0.620 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -16.953 -5.277 2.300 1.00 0.00 H new ATOM 1089 N GLU A 72 -15.882 -4.641 -3.036 1.00 0.00 N ATOM 1090 CA GLU A 72 -15.117 -5.682 -3.678 1.00 0.00 C ATOM 1091 C GLU A 72 -13.692 -5.611 -3.151 1.00 0.00 C ATOM 1092 O GLU A 72 -13.191 -6.516 -2.491 1.00 0.00 O ATOM 1093 CB GLU A 72 -15.113 -5.354 -5.180 1.00 0.00 C ATOM 1094 CG GLU A 72 -13.952 -5.981 -5.952 1.00 0.00 C ATOM 1095 CD GLU A 72 -14.110 -7.480 -6.142 1.00 0.00 C ATOM 1096 OE1 GLU A 72 -15.014 -7.864 -6.914 1.00 0.00 O ATOM 1097 OE2 GLU A 72 -13.311 -8.210 -5.517 1.00 0.00 O ATOM 0 H GLU A 72 -16.165 -3.893 -3.669 1.00 0.00 H new ATOM 0 HA GLU A 72 -15.530 -6.673 -3.491 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -16.052 -5.693 -5.618 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -15.076 -4.272 -5.305 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -13.871 -5.503 -6.928 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -13.021 -5.783 -5.422 1.00 0.00 H new ATOM 1104 N ALA A 73 -13.064 -4.490 -3.482 1.00 0.00 N ATOM 1105 CA ALA A 73 -11.696 -4.143 -3.272 1.00 0.00 C ATOM 1106 C ALA A 73 -11.301 -4.327 -1.823 1.00 0.00 C ATOM 1107 O ALA A 73 -10.426 -5.136 -1.522 1.00 0.00 O ATOM 1108 CB ALA A 73 -11.635 -2.693 -3.733 1.00 0.00 C ATOM 0 H ALA A 73 -13.567 -3.736 -3.951 1.00 0.00 H new ATOM 0 HA ALA A 73 -10.992 -4.772 -3.816 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -10.619 -2.316 -3.616 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.926 -2.632 -4.782 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.316 -2.091 -3.132 1.00 0.00 H new ATOM 1114 N LEU A 74 -11.979 -3.592 -0.946 1.00 0.00 N ATOM 1115 CA LEU A 74 -11.701 -3.575 0.473 1.00 0.00 C ATOM 1116 C LEU A 74 -11.664 -4.981 1.083 1.00 0.00 C ATOM 1117 O LEU A 74 -10.669 -5.363 1.700 1.00 0.00 O ATOM 1118 CB LEU A 74 -12.675 -2.589 1.119 1.00 0.00 C ATOM 1119 CG LEU A 74 -14.150 -2.891 0.866 1.00 0.00 C ATOM 1120 CD1 LEU A 74 -14.752 -3.707 1.995 1.00 0.00 C ATOM 1121 CD2 LEU A 74 -14.908 -1.568 0.771 1.00 0.00 C ATOM 0 H LEU A 74 -12.751 -2.982 -1.215 1.00 0.00 H new ATOM 0 HA LEU A 74 -10.691 -3.219 0.675 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -12.500 -2.578 2.195 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -12.455 -1.587 0.750 1.00 0.00 H new ATOM 0 HG LEU A 74 -14.230 -3.464 -0.058 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -15.803 -3.904 1.782 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -14.217 -4.652 2.086 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -14.669 -3.152 2.929 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -15.964 -1.766 0.590 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -14.797 -1.017 1.705 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -14.504 -0.976 -0.050 1.00 0.00 H new ATOM 1133 N GLU A 75 -12.701 -5.790 0.863 1.00 0.00 N ATOM 1134 CA GLU A 75 -12.716 -7.115 1.455 1.00 0.00 C ATOM 1135 C GLU A 75 -11.846 -8.126 0.718 1.00 0.00 C ATOM 1136 O GLU A 75 -11.129 -8.875 1.379 1.00 0.00 O ATOM 1137 CB GLU A 75 -14.144 -7.607 1.644 1.00 0.00 C ATOM 1138 CG GLU A 75 -14.750 -6.768 2.766 1.00 0.00 C ATOM 1139 CD GLU A 75 -16.024 -7.379 3.325 1.00 0.00 C ATOM 1140 OE1 GLU A 75 -16.198 -8.607 3.170 1.00 0.00 O ATOM 1141 OE2 GLU A 75 -16.801 -6.588 3.901 1.00 0.00 O ATOM 0 H GLU A 75 -13.516 -5.556 0.296 1.00 0.00 H new ATOM 0 HA GLU A 75 -12.258 -7.020 2.440 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -14.717 -7.495 0.724 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -14.158 -8.666 1.901 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -14.021 -6.659 3.569 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -14.965 -5.767 2.392 1.00 0.00 H new ATOM 1148 N LYS A 76 -11.878 -8.166 -0.619 1.00 0.00 N ATOM 1149 CA LYS A 76 -11.069 -9.144 -1.338 1.00 0.00 C ATOM 1150 C LYS A 76 -9.601 -8.947 -1.004 1.00 0.00 C ATOM 1151 O LYS A 76 -8.876 -9.899 -0.719 1.00 0.00 O ATOM 1152 CB LYS A 76 -11.358 -9.107 -2.840 1.00 0.00 C ATOM 1153 CG LYS A 76 -11.038 -7.815 -3.594 1.00 0.00 C ATOM 1154 CD LYS A 76 -9.550 -7.565 -3.849 1.00 0.00 C ATOM 1155 CE LYS A 76 -8.929 -8.527 -4.870 1.00 0.00 C ATOM 1156 NZ LYS A 76 -8.897 -9.913 -4.376 1.00 0.00 N ATOM 0 H LYS A 76 -12.439 -7.550 -1.207 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.341 -10.148 -1.011 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.799 -9.916 -3.309 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -12.416 -9.326 -2.983 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -11.557 -7.834 -4.552 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -11.441 -6.974 -3.030 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.418 -6.542 -4.200 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.009 -7.651 -2.906 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.498 -8.487 -5.799 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -7.915 -8.202 -5.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -7.972 -10.337 -4.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.049 -9.918 -3.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.647 -10.464 -4.840 1.00 0.00 H new ATOM 1170 N LEU A 77 -9.185 -7.684 -1.011 1.00 0.00 N ATOM 1171 CA LEU A 77 -7.847 -7.296 -0.656 1.00 0.00 C ATOM 1172 C LEU A 77 -7.521 -7.699 0.769 1.00 0.00 C ATOM 1173 O LEU A 77 -6.570 -8.449 0.945 1.00 0.00 O ATOM 1174 CB LEU A 77 -7.724 -5.803 -0.847 1.00 0.00 C ATOM 1175 CG LEU A 77 -6.898 -5.496 -2.086 1.00 0.00 C ATOM 1176 CD1 LEU A 77 -5.509 -5.407 -1.508 1.00 0.00 C ATOM 1177 CD2 LEU A 77 -6.830 -6.623 -3.110 1.00 0.00 C ATOM 0 H LEU A 77 -9.785 -6.900 -1.269 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.129 -7.808 -1.297 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -8.715 -5.359 -0.943 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.257 -5.355 0.030 1.00 0.00 H new ATOM 0 HG LEU A 77 -7.313 -4.631 -2.603 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.797 -5.186 -2.304 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.476 -4.614 -0.761 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.248 -6.357 -1.041 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.219 -6.309 -3.957 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.386 -7.506 -2.650 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -7.836 -6.861 -3.457 1.00 0.00 H new ATOM 1189 N ALA A 78 -8.281 -7.240 1.777 1.00 0.00 N ATOM 1190 CA ALA A 78 -7.993 -7.625 3.158 1.00 0.00 C ATOM 1191 C ALA A 78 -7.885 -9.141 3.289 1.00 0.00 C ATOM 1192 O ALA A 78 -6.969 -9.645 3.936 1.00 0.00 O ATOM 1193 CB ALA A 78 -9.051 -7.103 4.125 1.00 0.00 C ATOM 0 H ALA A 78 -9.080 -6.617 1.662 1.00 0.00 H new ATOM 0 HA ALA A 78 -7.037 -7.172 3.420 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -8.800 -7.411 5.140 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -9.085 -6.015 4.074 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -10.025 -7.510 3.853 1.00 0.00 H new ATOM 1199 N ALA A 79 -8.798 -9.872 2.649 1.00 0.00 N ATOM 1200 CA ALA A 79 -8.748 -11.328 2.656 1.00 0.00 C ATOM 1201 C ALA A 79 -7.367 -11.769 2.181 1.00 0.00 C ATOM 1202 O ALA A 79 -6.614 -12.440 2.891 1.00 0.00 O ATOM 1203 CB ALA A 79 -9.817 -11.859 1.707 1.00 0.00 C ATOM 0 H ALA A 79 -9.577 -9.478 2.122 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.930 -11.715 3.659 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.791 -12.949 1.702 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.799 -11.521 2.039 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.627 -11.487 0.700 1.00 0.00 H new ATOM 1209 N TYR A 80 -7.038 -11.287 0.985 1.00 0.00 N ATOM 1210 CA TYR A 80 -5.805 -11.502 0.269 1.00 0.00 C ATOM 1211 C TYR A 80 -4.545 -11.124 1.045 1.00 0.00 C ATOM 1212 O TYR A 80 -3.455 -11.570 0.696 1.00 0.00 O ATOM 1213 CB TYR A 80 -5.898 -10.614 -0.962 1.00 0.00 C ATOM 1214 CG TYR A 80 -4.809 -10.887 -1.961 1.00 0.00 C ATOM 1215 CD1 TYR A 80 -4.578 -12.211 -2.378 1.00 0.00 C ATOM 1216 CD2 TYR A 80 -3.814 -9.913 -2.131 1.00 0.00 C ATOM 1217 CE1 TYR A 80 -3.344 -12.562 -2.951 1.00 0.00 C ATOM 1218 CE2 TYR A 80 -2.586 -10.264 -2.706 1.00 0.00 C ATOM 1219 CZ TYR A 80 -2.350 -11.585 -3.112 1.00 0.00 C ATOM 1220 OH TYR A 80 -1.137 -11.911 -3.628 1.00 0.00 O ATOM 0 H TYR A 80 -7.681 -10.693 0.461 1.00 0.00 H new ATOM 0 HA TYR A 80 -5.706 -12.567 0.057 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -6.867 -10.762 -1.438 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -5.850 -9.569 -0.655 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -5.349 -12.957 -2.258 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -3.994 -8.895 -1.819 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -3.162 -13.579 -3.266 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -1.819 -9.515 -2.837 1.00 0.00 H new ATOM 0 HH TYR A 80 -1.026 -12.885 -3.613 1.00 0.00 H new ATOM 1230 N VAL A 81 -4.646 -10.255 2.045 1.00 0.00 N ATOM 1231 CA VAL A 81 -3.474 -9.837 2.791 1.00 0.00 C ATOM 1232 C VAL A 81 -3.088 -10.835 3.872 1.00 0.00 C ATOM 1233 O VAL A 81 -1.927 -10.866 4.271 1.00 0.00 O ATOM 1234 CB VAL A 81 -3.718 -8.479 3.450 1.00 0.00 C ATOM 1235 CG1 VAL A 81 -4.659 -7.621 2.618 1.00 0.00 C ATOM 1236 CG2 VAL A 81 -4.403 -8.723 4.785 1.00 0.00 C ATOM 0 H VAL A 81 -5.521 -9.832 2.353 1.00 0.00 H new ATOM 0 HA VAL A 81 -2.657 -9.773 2.072 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.760 -7.969 3.555 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.812 -6.663 3.114 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.224 -7.454 1.633 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.617 -8.131 2.510 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.589 -7.769 5.278 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.350 -9.237 4.620 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.762 -9.338 5.416 1.00 0.00 H new ATOM 1246 N GLN A 82 -4.048 -11.602 4.386 1.00 0.00 N ATOM 1247 CA GLN A 82 -3.800 -12.435 5.542 1.00 0.00 C ATOM 1248 C GLN A 82 -4.036 -13.923 5.305 1.00 0.00 C ATOM 1249 O GLN A 82 -3.380 -14.767 5.904 1.00 0.00 O ATOM 1250 CB GLN A 82 -4.765 -11.941 6.600 1.00 0.00 C ATOM 1251 CG GLN A 82 -6.206 -12.135 6.186 1.00 0.00 C ATOM 1252 CD GLN A 82 -7.079 -11.747 7.361 1.00 0.00 C ATOM 1253 OE1 GLN A 82 -6.597 -11.409 8.440 1.00 0.00 O ATOM 1254 NE2 GLN A 82 -8.374 -11.755 7.120 1.00 0.00 N ATOM 0 H GLN A 82 -4.997 -11.658 4.017 1.00 0.00 H new ATOM 0 HA GLN A 82 -2.749 -12.355 5.821 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -4.582 -12.472 7.534 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -4.582 -10.884 6.792 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -6.440 -11.521 5.316 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.386 -13.172 5.902 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -8.721 -12.045 6.206 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -9.030 -11.471 7.848 1.00 0.00 H new ATOM 1263 N GLU A 83 -4.990 -14.218 4.428 1.00 0.00 N ATOM 1264 CA GLU A 83 -5.499 -15.515 4.034 1.00 0.00 C ATOM 1265 C GLU A 83 -4.528 -16.708 4.092 1.00 0.00 C ATOM 1266 O GLU A 83 -4.838 -17.702 4.744 1.00 0.00 O ATOM 1267 CB GLU A 83 -6.080 -15.256 2.651 1.00 0.00 C ATOM 1268 CG GLU A 83 -7.148 -16.260 2.236 1.00 0.00 C ATOM 1269 CD GLU A 83 -7.856 -15.784 0.977 1.00 0.00 C ATOM 1270 OE1 GLU A 83 -8.252 -14.598 0.964 1.00 0.00 O ATOM 1271 OE2 GLU A 83 -7.990 -16.616 0.054 1.00 0.00 O ATOM 0 H GLU A 83 -5.472 -13.472 3.927 1.00 0.00 H new ATOM 0 HA GLU A 83 -6.229 -15.869 4.762 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -6.508 -14.254 2.629 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -5.273 -15.274 1.919 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -6.692 -17.234 2.059 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -7.871 -16.387 3.042 1.00 0.00 H new ATOM 1278 N GLU A 84 -3.389 -16.651 3.398 1.00 0.00 N ATOM 1279 CA GLU A 84 -2.461 -17.779 3.345 1.00 0.00 C ATOM 1280 C GLU A 84 -1.121 -17.463 4.015 1.00 0.00 C ATOM 1281 O GLU A 84 -1.009 -17.444 5.237 1.00 0.00 O ATOM 1282 CB GLU A 84 -2.314 -18.253 1.891 1.00 0.00 C ATOM 1283 CG GLU A 84 -2.120 -17.098 0.900 1.00 0.00 C ATOM 1284 CD GLU A 84 -3.448 -16.542 0.405 1.00 0.00 C ATOM 1285 OE1 GLU A 84 -4.116 -17.260 -0.367 1.00 0.00 O ATOM 1286 OE2 GLU A 84 -3.766 -15.410 0.828 1.00 0.00 O ATOM 0 H GLU A 84 -3.089 -15.835 2.865 1.00 0.00 H new ATOM 0 HA GLU A 84 -2.874 -18.603 3.927 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.464 -18.932 1.820 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.200 -18.821 1.609 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.549 -16.302 1.378 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.533 -17.445 0.050 1.00 0.00 H new ATOM 1293 N VAL A 85 -0.108 -17.188 3.193 1.00 0.00 N ATOM 1294 CA VAL A 85 1.231 -16.742 3.564 1.00 0.00 C ATOM 1295 C VAL A 85 1.723 -15.997 2.330 1.00 0.00 C ATOM 1296 O VAL A 85 1.668 -16.594 1.211 1.00 0.00 O ATOM 1297 CB VAL A 85 2.174 -17.966 3.895 1.00 0.00 C ATOM 1298 CG1 VAL A 85 2.127 -19.160 2.901 1.00 0.00 C ATOM 1299 CG2 VAL A 85 3.671 -17.592 4.012 1.00 0.00 C ATOM 1300 OXT VAL A 85 2.175 -14.814 2.418 1.00 0.00 O ATOM 0 H VAL A 85 -0.210 -17.278 2.182 1.00 0.00 H new ATOM 0 HA VAL A 85 1.229 -16.122 4.461 1.00 0.00 H new ATOM 0 HB VAL A 85 1.753 -18.273 4.852 1.00 0.00 H new ATOM 0 HG11 VAL A 85 2.815 -19.937 3.233 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.115 -19.563 2.864 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.418 -18.818 1.908 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.252 -18.485 4.241 1.00 0.00 H new ATOM 0 HG22 VAL A 85 4.015 -17.167 3.069 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.802 -16.860 4.809 1.00 0.00 H new