USER MOD reduce.3.24.130724 H: found=0, std=0, add=532, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 528 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 49 HIS : no HD1:sc= -5.39 K(o=-5.4,f=-9.9!) USER MOD Set 1.2: A 51 THR OG1 : rot -39:sc= -0.0399! USER MOD Set 2.1: A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.112 X(o=-0.11,f=-0.099) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 173:sc= 0.0384 USER MOD Single : A 16 HIS : no HD1:sc= -1.44 K(o=-1.4,f=-0.86) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 ASN : amide:sc= -0.23 K(o=-0.23,f=-2.4!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot -170:sc= -0.0136 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc=-0.00143 K(o=-0.0014,f=-0.78) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot -59:sc= 0.0248 USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.213 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot -101:sc= 1.19 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot -165:sc= 0.0475 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.304 -16.840 13.928 1.00 0.00 N ATOM 2 CA GLY A 1 -3.097 -17.857 13.258 1.00 0.00 C ATOM 3 C GLY A 1 -2.365 -18.401 12.029 1.00 0.00 C ATOM 4 O GLY A 1 -2.137 -17.672 11.065 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.822 -16.487 14.758 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.399 -17.251 14.234 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.123 -16.053 13.272 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.309 -18.672 13.950 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.056 -17.436 12.958 1.00 0.00 H new ATOM 8 N SER A 2 -2.018 -19.677 12.104 1.00 0.00 N ATOM 9 CA SER A 2 -1.316 -20.328 11.010 1.00 0.00 C ATOM 10 C SER A 2 -0.034 -19.561 10.681 1.00 0.00 C ATOM 11 O SER A 2 0.154 -18.434 11.137 1.00 0.00 O ATOM 12 CB SER A 2 -2.206 -20.430 9.769 1.00 0.00 C ATOM 13 OG SER A 2 -2.780 -21.727 9.630 1.00 0.00 O ATOM 0 H SER A 2 -2.210 -20.278 12.905 1.00 0.00 H new ATOM 0 HA SER A 2 -1.057 -21.339 11.323 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.001 -19.686 9.830 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.619 -20.196 8.881 1.00 0.00 H new ATOM 0 HG SER A 2 -3.342 -21.752 8.828 1.00 0.00 H new ATOM 19 N SER A 3 0.816 -20.203 9.893 1.00 0.00 N ATOM 20 CA SER A 3 2.075 -19.595 9.498 1.00 0.00 C ATOM 21 C SER A 3 2.005 -19.147 8.037 1.00 0.00 C ATOM 22 O SER A 3 3.015 -18.757 7.454 1.00 0.00 O ATOM 23 CB SER A 3 3.242 -20.565 9.700 1.00 0.00 C ATOM 24 OG SER A 3 2.991 -21.833 9.101 1.00 0.00 O ATOM 0 H SER A 3 0.657 -21.138 9.518 1.00 0.00 H new ATOM 0 HA SER A 3 2.247 -18.724 10.130 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.149 -20.136 9.274 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.423 -20.697 10.767 1.00 0.00 H new ATOM 0 HG SER A 3 3.759 -22.423 9.250 1.00 0.00 H new ATOM 30 N GLY A 4 0.801 -19.217 7.487 1.00 0.00 N ATOM 31 CA GLY A 4 0.586 -18.823 6.105 1.00 0.00 C ATOM 32 C GLY A 4 -0.677 -17.970 5.969 1.00 0.00 C ATOM 33 O GLY A 4 -1.790 -18.493 5.994 1.00 0.00 O ATOM 0 H GLY A 4 -0.035 -19.541 7.973 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.448 -18.262 5.744 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.499 -19.711 5.479 1.00 0.00 H new ATOM 37 N SER A 5 -0.462 -16.670 5.828 1.00 0.00 N ATOM 38 CA SER A 5 -1.569 -15.739 5.688 1.00 0.00 C ATOM 39 C SER A 5 -1.332 -14.822 4.486 1.00 0.00 C ATOM 40 O SER A 5 -0.284 -14.188 4.381 1.00 0.00 O ATOM 41 CB SER A 5 -1.755 -14.910 6.960 1.00 0.00 C ATOM 42 OG SER A 5 -2.808 -15.415 7.777 1.00 0.00 O ATOM 0 H SER A 5 0.462 -16.239 5.808 1.00 0.00 H new ATOM 0 HA SER A 5 -2.481 -16.313 5.525 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.825 -14.905 7.529 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.969 -13.876 6.691 1.00 0.00 H new ATOM 0 HG SER A 5 -2.894 -14.860 8.580 1.00 0.00 H new ATOM 48 N SER A 6 -2.325 -14.781 3.609 1.00 0.00 N ATOM 49 CA SER A 6 -2.238 -13.953 2.419 1.00 0.00 C ATOM 50 C SER A 6 -2.430 -12.481 2.791 1.00 0.00 C ATOM 51 O SER A 6 -3.544 -11.963 2.735 1.00 0.00 O ATOM 52 CB SER A 6 -3.274 -14.376 1.376 1.00 0.00 C ATOM 53 OG SER A 6 -2.749 -15.332 0.459 1.00 0.00 O ATOM 0 H SER A 6 -3.194 -15.308 3.699 1.00 0.00 H new ATOM 0 HA SER A 6 -1.248 -14.085 1.982 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.144 -14.797 1.880 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.616 -13.498 0.828 1.00 0.00 H new ATOM 0 HG SER A 6 -3.441 -15.578 -0.190 1.00 0.00 H new ATOM 59 N GLY A 7 -1.326 -11.849 3.162 1.00 0.00 N ATOM 60 CA GLY A 7 -1.359 -10.447 3.543 1.00 0.00 C ATOM 61 C GLY A 7 0.028 -9.812 3.415 1.00 0.00 C ATOM 62 O GLY A 7 0.535 -9.222 4.368 1.00 0.00 O ATOM 0 H GLY A 7 -0.403 -12.282 3.207 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.068 -9.911 2.912 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.713 -10.354 4.570 1.00 0.00 H new ATOM 66 N GLN A 8 0.601 -9.953 2.229 1.00 0.00 N ATOM 67 CA GLN A 8 1.918 -9.400 1.964 1.00 0.00 C ATOM 68 C GLN A 8 2.016 -7.975 2.511 1.00 0.00 C ATOM 69 O GLN A 8 1.009 -7.386 2.902 1.00 0.00 O ATOM 70 CB GLN A 8 2.237 -9.436 0.468 1.00 0.00 C ATOM 71 CG GLN A 8 3.243 -10.543 0.148 1.00 0.00 C ATOM 72 CD GLN A 8 2.738 -11.901 0.638 1.00 0.00 C ATOM 73 OE1 GLN A 8 1.666 -12.360 0.280 1.00 0.00 O ATOM 74 NE2 GLN A 8 3.569 -12.518 1.474 1.00 0.00 N ATOM 0 H GLN A 8 0.177 -10.442 1.441 1.00 0.00 H new ATOM 0 HA GLN A 8 2.658 -10.016 2.475 1.00 0.00 H new ATOM 0 HB2 GLN A 8 1.320 -9.598 -0.099 1.00 0.00 H new ATOM 0 HB3 GLN A 8 2.639 -8.473 0.155 1.00 0.00 H new ATOM 0 HG2 GLN A 8 3.416 -10.582 -0.927 1.00 0.00 H new ATOM 0 HG3 GLN A 8 4.200 -10.316 0.617 1.00 0.00 H new ATOM 0 HE21 GLN A 8 4.452 -12.078 1.733 1.00 0.00 H new ATOM 0 HE22 GLN A 8 3.323 -13.431 1.856 1.00 0.00 H new ATOM 83 N LYS A 9 3.237 -7.462 2.522 1.00 0.00 N ATOM 84 CA LYS A 9 3.479 -6.117 3.016 1.00 0.00 C ATOM 85 C LYS A 9 4.049 -5.258 1.885 1.00 0.00 C ATOM 86 O LYS A 9 4.828 -5.743 1.065 1.00 0.00 O ATOM 87 CB LYS A 9 4.363 -6.155 4.264 1.00 0.00 C ATOM 88 CG LYS A 9 3.679 -6.923 5.397 1.00 0.00 C ATOM 89 CD LYS A 9 3.776 -6.155 6.717 1.00 0.00 C ATOM 90 CE LYS A 9 4.239 -7.071 7.851 1.00 0.00 C ATOM 91 NZ LYS A 9 3.090 -7.480 8.689 1.00 0.00 N ATOM 0 H LYS A 9 4.070 -7.953 2.197 1.00 0.00 H new ATOM 0 HA LYS A 9 2.544 -5.653 3.330 1.00 0.00 H new ATOM 0 HB2 LYS A 9 5.316 -6.626 4.024 1.00 0.00 H new ATOM 0 HB3 LYS A 9 4.582 -5.138 4.590 1.00 0.00 H new ATOM 0 HG2 LYS A 9 2.632 -7.092 5.146 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.142 -7.904 5.508 1.00 0.00 H new ATOM 0 HD2 LYS A 9 4.473 -5.324 6.608 1.00 0.00 H new ATOM 0 HD3 LYS A 9 2.805 -5.726 6.965 1.00 0.00 H new ATOM 0 HE2 LYS A 9 4.727 -7.953 7.437 1.00 0.00 H new ATOM 0 HE3 LYS A 9 4.978 -6.556 8.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 3.422 -8.101 9.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 2.641 -6.636 9.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.398 -7.990 8.104 1.00 0.00 H new ATOM 105 N VAL A 10 3.640 -3.998 1.877 1.00 0.00 N ATOM 106 CA VAL A 10 4.100 -3.068 0.860 1.00 0.00 C ATOM 107 C VAL A 10 4.613 -1.794 1.535 1.00 0.00 C ATOM 108 O VAL A 10 4.199 -1.467 2.647 1.00 0.00 O ATOM 109 CB VAL A 10 2.982 -2.801 -0.149 1.00 0.00 C ATOM 110 CG1 VAL A 10 2.759 -4.014 -1.054 1.00 0.00 C ATOM 111 CG2 VAL A 10 1.687 -2.401 0.561 1.00 0.00 C ATOM 0 H VAL A 10 2.995 -3.599 2.559 1.00 0.00 H new ATOM 0 HA VAL A 10 4.931 -3.496 0.299 1.00 0.00 H new ATOM 0 HB VAL A 10 3.291 -1.966 -0.778 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.959 -3.798 -1.762 1.00 0.00 H new ATOM 0 HG12 VAL A 10 3.677 -4.234 -1.600 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.482 -4.875 -0.446 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.908 -2.217 -0.179 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.373 -3.206 1.226 1.00 0.00 H new ATOM 0 HG23 VAL A 10 1.856 -1.495 1.143 1.00 0.00 H new ATOM 121 N LYS A 11 5.506 -1.111 0.836 1.00 0.00 N ATOM 122 CA LYS A 11 6.080 0.120 1.353 1.00 0.00 C ATOM 123 C LYS A 11 5.756 1.270 0.398 1.00 0.00 C ATOM 124 O LYS A 11 5.939 1.148 -0.812 1.00 0.00 O ATOM 125 CB LYS A 11 7.577 -0.056 1.618 1.00 0.00 C ATOM 126 CG LYS A 11 8.273 1.299 1.752 1.00 0.00 C ATOM 127 CD LYS A 11 9.746 1.124 2.129 1.00 0.00 C ATOM 128 CE LYS A 11 9.983 1.487 3.596 1.00 0.00 C ATOM 129 NZ LYS A 11 10.975 0.571 4.203 1.00 0.00 N ATOM 0 H LYS A 11 5.847 -1.386 -0.085 1.00 0.00 H new ATOM 0 HA LYS A 11 5.637 0.371 2.317 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.723 -0.635 2.530 1.00 0.00 H new ATOM 0 HB3 LYS A 11 8.030 -0.623 0.804 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.197 1.845 0.812 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.768 1.898 2.510 1.00 0.00 H new ATOM 0 HD2 LYS A 11 10.050 0.092 1.952 1.00 0.00 H new ATOM 0 HD3 LYS A 11 10.366 1.753 1.490 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.336 2.516 3.670 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.044 1.432 4.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.124 0.831 5.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 10.623 -0.406 4.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.875 0.644 3.688 1.00 0.00 H new ATOM 143 N THR A 12 5.279 2.362 0.978 1.00 0.00 N ATOM 144 CA THR A 12 4.927 3.533 0.194 1.00 0.00 C ATOM 145 C THR A 12 6.189 4.273 -0.255 1.00 0.00 C ATOM 146 O THR A 12 7.056 4.581 0.562 1.00 0.00 O ATOM 147 CB THR A 12 3.981 4.397 1.031 1.00 0.00 C ATOM 148 OG1 THR A 12 4.793 4.857 2.108 1.00 0.00 O ATOM 149 CG2 THR A 12 2.887 3.574 1.714 1.00 0.00 C ATOM 0 H THR A 12 5.128 2.460 1.982 1.00 0.00 H new ATOM 0 HA THR A 12 4.408 3.253 -0.723 1.00 0.00 H new ATOM 0 HB THR A 12 3.522 5.154 0.395 1.00 0.00 H new ATOM 0 HG1 THR A 12 4.291 5.509 2.641 1.00 0.00 H new ATOM 0 HG21 THR A 12 2.244 4.235 2.295 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.292 3.061 0.958 1.00 0.00 H new ATOM 0 HG23 THR A 12 3.345 2.839 2.376 1.00 0.00 H new ATOM 157 N ILE A 13 6.252 4.538 -1.552 1.00 0.00 N ATOM 158 CA ILE A 13 7.393 5.236 -2.119 1.00 0.00 C ATOM 159 C ILE A 13 7.058 6.722 -2.259 1.00 0.00 C ATOM 160 O ILE A 13 7.905 7.518 -2.661 1.00 0.00 O ATOM 161 CB ILE A 13 7.827 4.577 -3.429 1.00 0.00 C ATOM 162 CG1 ILE A 13 6.620 4.290 -4.325 1.00 0.00 C ATOM 163 CG2 ILE A 13 8.655 3.318 -3.162 1.00 0.00 C ATOM 164 CD1 ILE A 13 7.064 3.938 -5.746 1.00 0.00 C ATOM 0 H ILE A 13 5.531 4.282 -2.226 1.00 0.00 H new ATOM 0 HA ILE A 13 8.253 5.164 -1.453 1.00 0.00 H new ATOM 0 HB ILE A 13 8.468 5.276 -3.966 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.040 3.467 -3.907 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.966 5.161 -4.350 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.951 2.869 -4.110 1.00 0.00 H new ATOM 0 HG22 ILE A 13 9.546 3.582 -2.592 1.00 0.00 H new ATOM 0 HG23 ILE A 13 8.059 2.604 -2.593 1.00 0.00 H new ATOM 0 HD11 ILE A 13 6.187 3.739 -6.362 1.00 0.00 H new ATOM 0 HD12 ILE A 13 7.623 4.772 -6.170 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.698 3.052 -5.720 1.00 0.00 H new ATOM 176 N PHE A 14 5.820 7.052 -1.920 1.00 0.00 N ATOM 177 CA PHE A 14 5.362 8.428 -2.004 1.00 0.00 C ATOM 178 C PHE A 14 4.210 8.683 -1.030 1.00 0.00 C ATOM 179 O PHE A 14 3.479 7.760 -0.673 1.00 0.00 O ATOM 180 CB PHE A 14 4.863 8.648 -3.434 1.00 0.00 C ATOM 181 CG PHE A 14 5.975 8.660 -4.485 1.00 0.00 C ATOM 182 CD1 PHE A 14 7.018 9.523 -4.362 1.00 0.00 C ATOM 183 CD2 PHE A 14 5.919 7.807 -5.543 1.00 0.00 C ATOM 184 CE1 PHE A 14 8.050 9.534 -5.338 1.00 0.00 C ATOM 185 CE2 PHE A 14 6.951 7.818 -6.519 1.00 0.00 C ATOM 186 CZ PHE A 14 7.994 8.681 -6.396 1.00 0.00 C ATOM 0 H PHE A 14 5.120 6.389 -1.586 1.00 0.00 H new ATOM 0 HA PHE A 14 6.176 9.107 -1.748 1.00 0.00 H new ATOM 0 HB2 PHE A 14 4.149 7.863 -3.684 1.00 0.00 H new ATOM 0 HB3 PHE A 14 4.324 9.595 -3.479 1.00 0.00 H new ATOM 0 HD1 PHE A 14 7.062 10.200 -3.522 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.090 7.122 -5.641 1.00 0.00 H new ATOM 0 HE1 PHE A 14 8.879 10.219 -5.240 1.00 0.00 H new ATOM 0 HE2 PHE A 14 6.907 7.141 -7.359 1.00 0.00 H new ATOM 0 HZ PHE A 14 8.778 8.689 -7.138 1.00 0.00 H new ATOM 196 N PRO A 15 4.081 9.972 -0.617 1.00 0.00 N ATOM 197 CA PRO A 15 3.030 10.360 0.309 1.00 0.00 C ATOM 198 C PRO A 15 1.672 10.413 -0.394 1.00 0.00 C ATOM 199 O PRO A 15 1.595 10.726 -1.581 1.00 0.00 O ATOM 200 CB PRO A 15 3.467 11.708 0.858 1.00 0.00 C ATOM 201 CG PRO A 15 4.504 12.240 -0.119 1.00 0.00 C ATOM 202 CD PRO A 15 4.928 11.091 -1.019 1.00 0.00 C ATOM 0 HA PRO A 15 2.895 9.641 1.117 1.00 0.00 H new ATOM 0 HB2 PRO A 15 2.620 12.390 0.939 1.00 0.00 H new ATOM 0 HB3 PRO A 15 3.889 11.604 1.858 1.00 0.00 H new ATOM 0 HG2 PRO A 15 4.088 13.055 -0.711 1.00 0.00 H new ATOM 0 HG3 PRO A 15 5.363 12.642 0.418 1.00 0.00 H new ATOM 0 HD2 PRO A 15 4.784 11.338 -2.071 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.984 10.855 -0.888 1.00 0.00 H new ATOM 210 N HIS A 16 0.634 10.101 0.369 1.00 0.00 N ATOM 211 CA HIS A 16 -0.717 10.109 -0.166 1.00 0.00 C ATOM 212 C HIS A 16 -1.678 10.683 0.877 1.00 0.00 C ATOM 213 O HIS A 16 -1.617 10.318 2.050 1.00 0.00 O ATOM 214 CB HIS A 16 -1.121 8.712 -0.640 1.00 0.00 C ATOM 215 CG HIS A 16 -2.251 8.707 -1.642 1.00 0.00 C ATOM 216 ND1 HIS A 16 -3.402 7.956 -1.470 1.00 0.00 N ATOM 217 CD2 HIS A 16 -2.396 9.368 -2.826 1.00 0.00 C ATOM 218 CE1 HIS A 16 -4.195 8.163 -2.511 1.00 0.00 C ATOM 219 NE2 HIS A 16 -3.570 9.038 -3.350 1.00 0.00 N ATOM 0 H HIS A 16 0.702 9.841 1.353 1.00 0.00 H new ATOM 0 HA HIS A 16 -0.761 10.754 -1.044 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -0.253 8.225 -1.084 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -1.413 8.116 0.225 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -1.677 10.045 -3.263 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -5.166 7.717 -2.668 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -3.943 9.382 -4.235 1.00 0.00 H new ATOM 227 N THR A 17 -2.544 11.571 0.411 1.00 0.00 N ATOM 228 CA THR A 17 -3.517 12.199 1.289 1.00 0.00 C ATOM 229 C THR A 17 -4.917 12.119 0.677 1.00 0.00 C ATOM 230 O THR A 17 -5.081 12.290 -0.530 1.00 0.00 O ATOM 231 CB THR A 17 -3.053 13.631 1.561 1.00 0.00 C ATOM 232 OG1 THR A 17 -1.891 13.473 2.370 1.00 0.00 O ATOM 233 CG2 THR A 17 -4.027 14.402 2.454 1.00 0.00 C ATOM 0 H THR A 17 -2.592 11.870 -0.563 1.00 0.00 H new ATOM 0 HA THR A 17 -3.584 11.677 2.244 1.00 0.00 H new ATOM 0 HB THR A 17 -2.932 14.159 0.615 1.00 0.00 H new ATOM 0 HG1 THR A 17 -1.524 14.354 2.592 1.00 0.00 H new ATOM 0 HG21 THR A 17 -3.651 15.412 2.616 1.00 0.00 H new ATOM 0 HG22 THR A 17 -5.003 14.452 1.970 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.123 13.892 3.413 1.00 0.00 H new ATOM 241 N ALA A 18 -5.890 11.859 1.537 1.00 0.00 N ATOM 242 CA ALA A 18 -7.270 11.755 1.097 1.00 0.00 C ATOM 243 C ALA A 18 -7.862 13.158 0.951 1.00 0.00 C ATOM 244 O ALA A 18 -8.426 13.699 1.900 1.00 0.00 O ATOM 245 CB ALA A 18 -8.057 10.890 2.083 1.00 0.00 C ATOM 0 H ALA A 18 -5.750 11.717 2.537 1.00 0.00 H new ATOM 0 HA ALA A 18 -7.326 11.271 0.122 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -9.093 10.812 1.752 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -7.615 9.895 2.128 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -8.025 11.346 3.073 1.00 0.00 H new ATOM 251 N GLY A 19 -7.714 13.707 -0.246 1.00 0.00 N ATOM 252 CA GLY A 19 -8.227 15.036 -0.529 1.00 0.00 C ATOM 253 C GLY A 19 -9.717 15.131 -0.197 1.00 0.00 C ATOM 254 O GLY A 19 -10.099 15.126 0.972 1.00 0.00 O ATOM 0 H GLY A 19 -7.246 13.255 -1.031 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.674 15.774 0.051 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.069 15.274 -1.581 1.00 0.00 H new ATOM 258 N ASN A 20 -10.520 15.215 -1.248 1.00 0.00 N ATOM 259 CA ASN A 20 -11.961 15.310 -1.083 1.00 0.00 C ATOM 260 C ASN A 20 -12.526 13.925 -0.762 1.00 0.00 C ATOM 261 O ASN A 20 -13.307 13.772 0.176 1.00 0.00 O ATOM 262 CB ASN A 20 -12.630 15.808 -2.366 1.00 0.00 C ATOM 263 CG ASN A 20 -13.542 17.003 -2.080 1.00 0.00 C ATOM 264 OD1 ASN A 20 -13.183 18.152 -2.279 1.00 0.00 O ATOM 265 ND2 ASN A 20 -14.738 16.669 -1.605 1.00 0.00 N ATOM 0 H ASN A 20 -10.200 15.219 -2.217 1.00 0.00 H new ATOM 0 HA ASN A 20 -12.162 16.013 -0.275 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -11.868 16.093 -3.091 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -13.211 15.002 -2.814 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -15.420 17.395 -1.384 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -14.974 15.687 -1.462 1.00 0.00 H new ATOM 272 N ASN A 21 -12.109 12.952 -1.559 1.00 0.00 N ATOM 273 CA ASN A 21 -12.564 11.585 -1.371 1.00 0.00 C ATOM 274 C ASN A 21 -12.258 11.142 0.061 1.00 0.00 C ATOM 275 O ASN A 21 -11.363 11.688 0.706 1.00 0.00 O ATOM 276 CB ASN A 21 -11.846 10.629 -2.325 1.00 0.00 C ATOM 277 CG ASN A 21 -12.617 10.483 -3.638 1.00 0.00 C ATOM 278 OD1 ASN A 21 -13.750 10.915 -3.775 1.00 0.00 O ATOM 279 ND2 ASN A 21 -11.943 9.850 -4.594 1.00 0.00 N ATOM 0 H ASN A 21 -11.461 13.083 -2.336 1.00 0.00 H new ATOM 0 HA ASN A 21 -13.635 11.556 -1.570 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -10.841 10.999 -2.528 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -11.736 9.653 -1.853 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -12.372 9.701 -5.507 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -10.997 9.513 -4.414 1.00 0.00 H new ATOM 286 N LYS A 22 -13.017 10.157 0.518 1.00 0.00 N ATOM 287 CA LYS A 22 -12.838 9.634 1.862 1.00 0.00 C ATOM 288 C LYS A 22 -12.591 8.126 1.789 1.00 0.00 C ATOM 289 O LYS A 22 -13.516 7.333 1.959 1.00 0.00 O ATOM 290 CB LYS A 22 -14.022 10.022 2.749 1.00 0.00 C ATOM 291 CG LYS A 22 -14.236 8.990 3.859 1.00 0.00 C ATOM 292 CD LYS A 22 -14.905 9.628 5.078 1.00 0.00 C ATOM 293 CE LYS A 22 -16.256 8.970 5.369 1.00 0.00 C ATOM 294 NZ LYS A 22 -17.364 9.869 4.977 1.00 0.00 N ATOM 0 H LYS A 22 -13.758 9.707 -0.019 1.00 0.00 H new ATOM 0 HA LYS A 22 -11.960 10.078 2.331 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -13.845 11.003 3.189 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -14.924 10.102 2.143 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -14.854 8.173 3.487 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -13.278 8.559 4.149 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -14.254 9.531 5.947 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -15.046 10.695 4.903 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -16.334 8.029 4.825 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -16.331 8.732 6.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -18.274 9.408 5.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -17.298 10.757 5.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -17.301 10.075 3.960 1.00 0.00 H new ATOM 308 N THR A 23 -11.338 7.775 1.537 1.00 0.00 N ATOM 309 CA THR A 23 -10.958 6.376 1.440 1.00 0.00 C ATOM 310 C THR A 23 -9.438 6.243 1.330 1.00 0.00 C ATOM 311 O THR A 23 -8.845 5.347 1.929 1.00 0.00 O ATOM 312 CB THR A 23 -11.709 5.763 0.256 1.00 0.00 C ATOM 313 OG1 THR A 23 -10.863 4.703 -0.180 1.00 0.00 O ATOM 314 CG2 THR A 23 -11.776 6.706 -0.946 1.00 0.00 C ATOM 0 H THR A 23 -10.573 8.435 1.397 1.00 0.00 H new ATOM 0 HA THR A 23 -11.237 5.827 2.339 1.00 0.00 H new ATOM 0 HB THR A 23 -12.720 5.498 0.565 1.00 0.00 H new ATOM 0 HG1 THR A 23 -11.191 4.354 -1.035 1.00 0.00 H new ATOM 0 HG21 THR A 23 -12.319 6.222 -1.758 1.00 0.00 H new ATOM 0 HG22 THR A 23 -12.291 7.623 -0.661 1.00 0.00 H new ATOM 0 HG23 THR A 23 -10.766 6.945 -1.277 1.00 0.00 H new ATOM 322 N LEU A 24 -8.851 7.148 0.561 1.00 0.00 N ATOM 323 CA LEU A 24 -7.411 7.143 0.365 1.00 0.00 C ATOM 324 C LEU A 24 -6.716 7.036 1.724 1.00 0.00 C ATOM 325 O LEU A 24 -6.722 7.987 2.504 1.00 0.00 O ATOM 326 CB LEU A 24 -6.977 8.360 -0.453 1.00 0.00 C ATOM 327 CG LEU A 24 -7.792 8.644 -1.717 1.00 0.00 C ATOM 328 CD1 LEU A 24 -8.289 7.343 -2.352 1.00 0.00 C ATOM 329 CD2 LEU A 24 -8.938 9.614 -1.425 1.00 0.00 C ATOM 0 H LEU A 24 -9.346 7.890 0.066 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.109 6.273 -0.218 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.022 9.239 0.189 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.934 8.227 -0.739 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.139 9.128 -2.443 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.865 7.573 -3.248 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.436 6.719 -2.619 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -8.920 6.809 -1.642 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.501 9.798 -2.340 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -9.599 9.181 -0.674 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.532 10.555 -1.053 1.00 0.00 H new ATOM 341 N LEU A 25 -6.134 5.870 1.965 1.00 0.00 N ATOM 342 CA LEU A 25 -5.437 5.627 3.216 1.00 0.00 C ATOM 343 C LEU A 25 -4.337 6.676 3.394 1.00 0.00 C ATOM 344 O LEU A 25 -3.359 6.688 2.649 1.00 0.00 O ATOM 345 CB LEU A 25 -4.927 4.186 3.274 1.00 0.00 C ATOM 346 CG LEU A 25 -4.430 3.704 4.639 1.00 0.00 C ATOM 347 CD1 LEU A 25 -5.603 3.417 5.579 1.00 0.00 C ATOM 348 CD2 LEU A 25 -3.505 2.494 4.490 1.00 0.00 C ATOM 0 H LEU A 25 -6.131 5.084 1.315 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.120 5.733 4.059 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.729 3.524 2.947 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.114 4.080 2.556 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.843 4.504 5.091 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.223 3.076 6.542 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.187 4.327 5.721 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.236 2.644 5.145 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.166 2.172 5.475 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.046 1.680 4.008 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.643 2.768 3.881 1.00 0.00 H new ATOM 360 N SER A 26 -4.534 7.531 4.387 1.00 0.00 N ATOM 361 CA SER A 26 -3.572 8.581 4.672 1.00 0.00 C ATOM 362 C SER A 26 -2.333 7.987 5.346 1.00 0.00 C ATOM 363 O SER A 26 -2.448 7.120 6.211 1.00 0.00 O ATOM 364 CB SER A 26 -4.187 9.667 5.557 1.00 0.00 C ATOM 365 OG SER A 26 -3.463 9.839 6.773 1.00 0.00 O ATOM 0 H SER A 26 -5.346 7.518 5.004 1.00 0.00 H new ATOM 0 HA SER A 26 -3.280 9.041 3.728 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.208 10.610 5.011 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.221 9.407 5.784 1.00 0.00 H new ATOM 0 HG SER A 26 -3.886 10.542 7.309 1.00 0.00 H new ATOM 371 N PHE A 27 -1.177 8.477 4.923 1.00 0.00 N ATOM 372 CA PHE A 27 0.082 8.005 5.475 1.00 0.00 C ATOM 373 C PHE A 27 1.259 8.817 4.929 1.00 0.00 C ATOM 374 O PHE A 27 1.065 9.757 4.159 1.00 0.00 O ATOM 375 CB PHE A 27 0.241 6.546 5.043 1.00 0.00 C ATOM 376 CG PHE A 27 0.196 6.337 3.528 1.00 0.00 C ATOM 377 CD1 PHE A 27 1.238 6.742 2.754 1.00 0.00 C ATOM 378 CD2 PHE A 27 -0.887 5.747 2.955 1.00 0.00 C ATOM 379 CE1 PHE A 27 1.196 6.548 1.348 1.00 0.00 C ATOM 380 CE2 PHE A 27 -0.929 5.553 1.549 1.00 0.00 C ATOM 381 CZ PHE A 27 0.113 5.958 0.775 1.00 0.00 C ATOM 0 H PHE A 27 -1.086 9.196 4.205 1.00 0.00 H new ATOM 0 HA PHE A 27 0.075 8.110 6.560 1.00 0.00 H new ATOM 0 HB2 PHE A 27 1.189 6.166 5.424 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -0.548 5.953 5.505 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.098 7.211 3.209 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -1.715 5.426 3.569 1.00 0.00 H new ATOM 0 HE1 PHE A 27 2.024 6.869 0.734 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -1.789 5.084 1.094 1.00 0.00 H new ATOM 0 HZ PHE A 27 0.081 5.811 -0.294 1.00 0.00 H new ATOM 391 N ALA A 28 2.452 8.424 5.348 1.00 0.00 N ATOM 392 CA ALA A 28 3.660 9.104 4.911 1.00 0.00 C ATOM 393 C ALA A 28 4.608 8.088 4.270 1.00 0.00 C ATOM 394 O ALA A 28 4.632 6.922 4.662 1.00 0.00 O ATOM 395 CB ALA A 28 4.297 9.827 6.099 1.00 0.00 C ATOM 0 H ALA A 28 2.609 7.643 5.986 1.00 0.00 H new ATOM 0 HA ALA A 28 3.426 9.857 4.159 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.203 10.337 5.771 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.594 10.557 6.500 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.548 9.102 6.874 1.00 0.00 H new ATOM 401 N GLN A 29 5.366 8.567 3.295 1.00 0.00 N ATOM 402 CA GLN A 29 6.313 7.716 2.596 1.00 0.00 C ATOM 403 C GLN A 29 7.182 6.953 3.598 1.00 0.00 C ATOM 404 O GLN A 29 7.806 7.557 4.470 1.00 0.00 O ATOM 405 CB GLN A 29 7.177 8.532 1.632 1.00 0.00 C ATOM 406 CG GLN A 29 8.137 7.628 0.856 1.00 0.00 C ATOM 407 CD GLN A 29 9.291 8.437 0.260 1.00 0.00 C ATOM 408 OE1 GLN A 29 9.261 9.655 0.197 1.00 0.00 O ATOM 409 NE2 GLN A 29 10.305 7.694 -0.173 1.00 0.00 N ATOM 0 H GLN A 29 5.343 9.534 2.972 1.00 0.00 H new ATOM 0 HA GLN A 29 5.752 6.992 2.005 1.00 0.00 H new ATOM 0 HB2 GLN A 29 6.538 9.073 0.934 1.00 0.00 H new ATOM 0 HB3 GLN A 29 7.744 9.278 2.189 1.00 0.00 H new ATOM 0 HG2 GLN A 29 8.532 6.858 1.518 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.597 7.117 0.059 1.00 0.00 H new ATOM 0 HE21 GLN A 29 10.265 6.678 -0.090 1.00 0.00 H new ATOM 0 HE22 GLN A 29 11.123 8.140 -0.588 1.00 0.00 H new ATOM 418 N GLY A 30 7.194 5.637 3.442 1.00 0.00 N ATOM 419 CA GLY A 30 7.975 4.786 4.323 1.00 0.00 C ATOM 420 C GLY A 30 7.068 3.873 5.150 1.00 0.00 C ATOM 421 O GLY A 30 7.448 2.752 5.484 1.00 0.00 O ATOM 0 H GLY A 30 6.675 5.140 2.718 1.00 0.00 H new ATOM 0 HA2 GLY A 30 8.665 4.182 3.733 1.00 0.00 H new ATOM 0 HA3 GLY A 30 8.580 5.403 4.988 1.00 0.00 H new ATOM 425 N ASP A 31 5.886 4.387 5.456 1.00 0.00 N ATOM 426 CA ASP A 31 4.922 3.632 6.238 1.00 0.00 C ATOM 427 C ASP A 31 4.700 2.266 5.585 1.00 0.00 C ATOM 428 O ASP A 31 4.855 2.121 4.373 1.00 0.00 O ATOM 429 CB ASP A 31 3.574 4.353 6.295 1.00 0.00 C ATOM 430 CG ASP A 31 3.569 5.654 7.100 1.00 0.00 C ATOM 431 OD1 ASP A 31 4.681 6.154 7.375 1.00 0.00 O ATOM 432 OD2 ASP A 31 2.455 6.118 7.423 1.00 0.00 O ATOM 0 H ASP A 31 5.574 5.317 5.177 1.00 0.00 H new ATOM 0 HA ASP A 31 5.317 3.525 7.248 1.00 0.00 H new ATOM 0 HB2 ASP A 31 3.253 4.572 5.277 1.00 0.00 H new ATOM 0 HB3 ASP A 31 2.835 3.676 6.723 1.00 0.00 H new ATOM 437 N VAL A 32 4.340 1.300 6.417 1.00 0.00 N ATOM 438 CA VAL A 32 4.096 -0.049 5.936 1.00 0.00 C ATOM 439 C VAL A 32 2.609 -0.377 6.084 1.00 0.00 C ATOM 440 O VAL A 32 2.013 -0.117 7.128 1.00 0.00 O ATOM 441 CB VAL A 32 5.002 -1.039 6.670 1.00 0.00 C ATOM 442 CG1 VAL A 32 4.643 -2.482 6.310 1.00 0.00 C ATOM 443 CG2 VAL A 32 6.477 -0.752 6.379 1.00 0.00 C ATOM 0 H VAL A 32 4.211 1.425 7.421 1.00 0.00 H new ATOM 0 HA VAL A 32 4.343 -0.127 4.877 1.00 0.00 H new ATOM 0 HB VAL A 32 4.840 -0.911 7.740 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.302 -3.165 6.845 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.609 -2.681 6.591 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.762 -2.630 5.237 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.100 -1.470 6.913 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.660 -0.839 5.308 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.723 0.257 6.709 1.00 0.00 H new ATOM 453 N LEU A 33 2.052 -0.944 5.023 1.00 0.00 N ATOM 454 CA LEU A 33 0.646 -1.310 5.022 1.00 0.00 C ATOM 455 C LEU A 33 0.514 -2.809 4.744 1.00 0.00 C ATOM 456 O LEU A 33 1.244 -3.358 3.921 1.00 0.00 O ATOM 457 CB LEU A 33 -0.136 -0.432 4.043 1.00 0.00 C ATOM 458 CG LEU A 33 0.384 0.996 3.860 1.00 0.00 C ATOM 459 CD1 LEU A 33 -0.002 1.548 2.487 1.00 0.00 C ATOM 460 CD2 LEU A 33 -0.092 1.902 4.997 1.00 0.00 C ATOM 0 H LEU A 33 2.549 -1.159 4.159 1.00 0.00 H new ATOM 0 HA LEU A 33 0.204 -1.127 6.001 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.141 -0.923 3.070 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.171 -0.380 4.380 1.00 0.00 H new ATOM 0 HG LEU A 33 1.473 0.972 3.902 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.380 2.564 2.383 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.427 0.918 1.708 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.088 1.557 2.390 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.291 2.911 4.843 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.182 1.926 5.011 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.275 1.516 5.948 1.00 0.00 H new ATOM 472 N THR A 34 -0.424 -3.428 5.446 1.00 0.00 N ATOM 473 CA THR A 34 -0.661 -4.852 5.285 1.00 0.00 C ATOM 474 C THR A 34 -1.776 -5.096 4.266 1.00 0.00 C ATOM 475 O THR A 34 -2.887 -4.593 4.424 1.00 0.00 O ATOM 476 CB THR A 34 -0.961 -5.441 6.665 1.00 0.00 C ATOM 477 OG1 THR A 34 0.279 -5.347 7.360 1.00 0.00 O ATOM 478 CG2 THR A 34 -1.245 -6.943 6.612 1.00 0.00 C ATOM 0 H THR A 34 -1.029 -2.969 6.127 1.00 0.00 H new ATOM 0 HA THR A 34 0.219 -5.356 4.884 1.00 0.00 H new ATOM 0 HB THR A 34 -1.817 -4.925 7.101 1.00 0.00 H new ATOM 0 HG1 THR A 34 0.174 -5.706 8.266 1.00 0.00 H new ATOM 0 HG21 THR A 34 -1.451 -7.310 7.617 1.00 0.00 H new ATOM 0 HG22 THR A 34 -2.109 -7.128 5.974 1.00 0.00 H new ATOM 0 HG23 THR A 34 -0.377 -7.463 6.207 1.00 0.00 H new ATOM 486 N LEU A 35 -1.439 -5.866 3.241 1.00 0.00 N ATOM 487 CA LEU A 35 -2.398 -6.182 2.196 1.00 0.00 C ATOM 488 C LEU A 35 -3.464 -7.126 2.756 1.00 0.00 C ATOM 489 O LEU A 35 -3.164 -7.985 3.584 1.00 0.00 O ATOM 490 CB LEU A 35 -1.681 -6.728 0.959 1.00 0.00 C ATOM 491 CG LEU A 35 -0.908 -5.704 0.126 1.00 0.00 C ATOM 492 CD1 LEU A 35 0.593 -6.002 0.145 1.00 0.00 C ATOM 493 CD2 LEU A 35 -1.459 -5.629 -1.300 1.00 0.00 C ATOM 0 H LEU A 35 -0.516 -6.280 3.112 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.913 -5.280 1.866 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.987 -7.505 1.279 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.420 -7.206 0.316 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.047 -4.722 0.578 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.119 -5.259 -0.455 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.958 -5.965 1.171 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.772 -6.995 -0.268 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.892 -4.894 -1.871 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.370 -6.605 -1.776 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.508 -5.334 -1.270 1.00 0.00 H new ATOM 505 N LEU A 36 -4.686 -6.934 2.282 1.00 0.00 N ATOM 506 CA LEU A 36 -5.798 -7.758 2.724 1.00 0.00 C ATOM 507 C LEU A 36 -6.277 -8.629 1.561 1.00 0.00 C ATOM 508 O LEU A 36 -6.501 -9.827 1.730 1.00 0.00 O ATOM 509 CB LEU A 36 -6.899 -6.888 3.335 1.00 0.00 C ATOM 510 CG LEU A 36 -6.463 -5.944 4.457 1.00 0.00 C ATOM 511 CD1 LEU A 36 -7.622 -5.050 4.903 1.00 0.00 C ATOM 512 CD2 LEU A 36 -5.857 -6.723 5.625 1.00 0.00 C ATOM 0 H LEU A 36 -4.931 -6.220 1.596 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.479 -8.434 3.518 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.347 -6.292 2.540 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.680 -7.543 3.721 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.683 -5.289 4.068 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.285 -4.389 5.701 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.967 -4.453 4.059 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -8.441 -5.670 5.267 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.556 -6.028 6.409 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.597 -7.418 6.022 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.986 -7.279 5.279 1.00 0.00 H new ATOM 524 N ILE A 37 -6.418 -7.994 0.407 1.00 0.00 N ATOM 525 CA ILE A 37 -6.866 -8.696 -0.783 1.00 0.00 C ATOM 526 C ILE A 37 -5.666 -8.965 -1.694 1.00 0.00 C ATOM 527 O ILE A 37 -4.817 -8.095 -1.880 1.00 0.00 O ATOM 528 CB ILE A 37 -7.996 -7.924 -1.468 1.00 0.00 C ATOM 529 CG1 ILE A 37 -7.522 -6.540 -1.915 1.00 0.00 C ATOM 530 CG2 ILE A 37 -9.230 -7.843 -0.566 1.00 0.00 C ATOM 531 CD1 ILE A 37 -8.205 -6.121 -3.219 1.00 0.00 C ATOM 0 H ILE A 37 -6.230 -7.001 0.271 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.289 -9.665 -0.516 1.00 0.00 H new ATOM 0 HB ILE A 37 -8.288 -8.470 -2.365 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -7.738 -5.809 -1.136 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -6.441 -6.549 -2.053 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -10.018 -7.289 -1.076 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -9.582 -8.849 -0.339 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -8.970 -7.332 0.361 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -7.850 -5.134 -3.515 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.967 -6.841 -4.002 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -9.284 -6.089 -3.071 1.00 0.00 H new ATOM 543 N PRO A 38 -5.634 -10.205 -2.251 1.00 0.00 N ATOM 544 CA PRO A 38 -4.552 -10.599 -3.137 1.00 0.00 C ATOM 545 C PRO A 38 -4.705 -9.947 -4.513 1.00 0.00 C ATOM 546 O PRO A 38 -3.761 -9.924 -5.301 1.00 0.00 O ATOM 547 CB PRO A 38 -4.618 -12.116 -3.188 1.00 0.00 C ATOM 548 CG PRO A 38 -6.011 -12.489 -2.706 1.00 0.00 C ATOM 549 CD PRO A 38 -6.622 -11.261 -2.053 1.00 0.00 C ATOM 0 HA PRO A 38 -3.576 -10.268 -2.782 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -4.444 -12.481 -4.200 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -3.853 -12.562 -2.553 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -6.627 -12.824 -3.541 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.961 -13.314 -1.996 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -7.576 -11.002 -2.512 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -6.814 -11.430 -0.993 1.00 0.00 H new ATOM 557 N GLU A 39 -5.900 -9.432 -4.759 1.00 0.00 N ATOM 558 CA GLU A 39 -6.189 -8.782 -6.025 1.00 0.00 C ATOM 559 C GLU A 39 -5.963 -7.273 -5.911 1.00 0.00 C ATOM 560 O GLU A 39 -5.638 -6.770 -4.836 1.00 0.00 O ATOM 561 CB GLU A 39 -7.615 -9.089 -6.487 1.00 0.00 C ATOM 562 CG GLU A 39 -7.609 -9.855 -7.811 1.00 0.00 C ATOM 563 CD GLU A 39 -7.499 -8.897 -8.999 1.00 0.00 C ATOM 564 OE1 GLU A 39 -6.359 -8.464 -9.275 1.00 0.00 O ATOM 565 OE2 GLU A 39 -8.556 -8.619 -9.605 1.00 0.00 O ATOM 0 H GLU A 39 -6.680 -9.452 -4.102 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.506 -9.177 -6.777 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -8.129 -9.675 -5.726 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -8.172 -8.159 -6.603 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.774 -10.556 -7.826 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -8.522 -10.445 -7.898 1.00 0.00 H new ATOM 572 N GLU A 40 -6.142 -6.593 -7.034 1.00 0.00 N ATOM 573 CA GLU A 40 -5.962 -5.151 -7.073 1.00 0.00 C ATOM 574 C GLU A 40 -7.191 -4.479 -7.686 1.00 0.00 C ATOM 575 O GLU A 40 -7.775 -4.994 -8.639 1.00 0.00 O ATOM 576 CB GLU A 40 -4.692 -4.779 -7.841 1.00 0.00 C ATOM 577 CG GLU A 40 -4.805 -5.178 -9.313 1.00 0.00 C ATOM 578 CD GLU A 40 -3.432 -5.526 -9.893 1.00 0.00 C ATOM 579 OE1 GLU A 40 -2.581 -4.611 -9.923 1.00 0.00 O ATOM 580 OE2 GLU A 40 -3.266 -6.698 -10.294 1.00 0.00 O ATOM 0 H GLU A 40 -6.410 -7.014 -7.924 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.848 -4.790 -6.051 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.517 -3.706 -7.764 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.832 -5.275 -7.391 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.473 -6.034 -9.411 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.248 -4.361 -9.882 1.00 0.00 H new ATOM 587 N LYS A 41 -7.549 -3.338 -7.116 1.00 0.00 N ATOM 588 CA LYS A 41 -8.698 -2.589 -7.595 1.00 0.00 C ATOM 589 C LYS A 41 -8.297 -1.783 -8.832 1.00 0.00 C ATOM 590 O LYS A 41 -8.335 -0.554 -8.815 1.00 0.00 O ATOM 591 CB LYS A 41 -9.289 -1.737 -6.470 1.00 0.00 C ATOM 592 CG LYS A 41 -10.818 -1.791 -6.487 1.00 0.00 C ATOM 593 CD LYS A 41 -11.414 -0.396 -6.690 1.00 0.00 C ATOM 594 CE LYS A 41 -12.876 -0.483 -7.132 1.00 0.00 C ATOM 595 NZ LYS A 41 -13.773 -0.016 -6.052 1.00 0.00 N ATOM 0 H LYS A 41 -7.063 -2.914 -6.326 1.00 0.00 H new ATOM 0 HA LYS A 41 -9.494 -3.267 -7.901 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.920 -2.092 -5.508 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.957 -0.705 -6.578 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -11.153 -2.453 -7.285 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -11.181 -2.213 -5.550 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -11.344 0.172 -5.762 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -10.836 0.145 -7.439 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -13.028 0.122 -8.026 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -13.121 -1.511 -7.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -14.761 -0.082 -6.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -13.640 -0.610 -5.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -13.549 0.972 -5.818 1.00 0.00 H new ATOM 609 N ASP A 42 -7.922 -2.508 -9.875 1.00 0.00 N ATOM 610 CA ASP A 42 -7.514 -1.876 -11.118 1.00 0.00 C ATOM 611 C ASP A 42 -6.342 -0.931 -10.844 1.00 0.00 C ATOM 612 O ASP A 42 -6.496 0.288 -10.905 1.00 0.00 O ATOM 613 CB ASP A 42 -8.656 -1.052 -11.717 1.00 0.00 C ATOM 614 CG ASP A 42 -9.749 -1.869 -12.408 1.00 0.00 C ATOM 615 OD1 ASP A 42 -9.388 -2.649 -13.315 1.00 0.00 O ATOM 616 OD2 ASP A 42 -10.923 -1.694 -12.013 1.00 0.00 O ATOM 0 H ASP A 42 -7.892 -3.528 -9.885 1.00 0.00 H new ATOM 0 HA ASP A 42 -7.230 -2.661 -11.818 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -9.112 -0.461 -10.923 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -8.238 -0.349 -12.438 1.00 0.00 H new ATOM 621 N GLY A 43 -5.198 -1.530 -10.549 1.00 0.00 N ATOM 622 CA GLY A 43 -4.000 -0.757 -10.265 1.00 0.00 C ATOM 623 C GLY A 43 -3.915 -0.403 -8.779 1.00 0.00 C ATOM 624 O GLY A 43 -2.834 -0.424 -8.193 1.00 0.00 O ATOM 0 H GLY A 43 -5.075 -2.541 -10.500 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.118 -1.326 -10.558 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -4.002 0.156 -10.860 1.00 0.00 H new ATOM 628 N TRP A 44 -5.070 -0.086 -8.212 1.00 0.00 N ATOM 629 CA TRP A 44 -5.139 0.271 -6.805 1.00 0.00 C ATOM 630 C TRP A 44 -5.090 -1.020 -5.986 1.00 0.00 C ATOM 631 O TRP A 44 -5.496 -2.078 -6.463 1.00 0.00 O ATOM 632 CB TRP A 44 -6.382 1.116 -6.515 1.00 0.00 C ATOM 633 CG TRP A 44 -6.343 2.513 -7.137 1.00 0.00 C ATOM 634 CD1 TRP A 44 -6.474 2.845 -8.429 1.00 0.00 C ATOM 635 CD2 TRP A 44 -6.157 3.761 -6.437 1.00 0.00 C ATOM 636 NE1 TRP A 44 -6.385 4.210 -8.612 1.00 0.00 N ATOM 637 CE2 TRP A 44 -6.186 4.785 -7.362 1.00 0.00 C ATOM 638 CE3 TRP A 44 -5.969 4.017 -5.067 1.00 0.00 C ATOM 639 CZ2 TRP A 44 -6.034 6.133 -7.019 1.00 0.00 C ATOM 640 CZ3 TRP A 44 -5.819 5.370 -4.740 1.00 0.00 C ATOM 641 CH2 TRP A 44 -5.846 6.412 -5.660 1.00 0.00 C ATOM 0 H TRP A 44 -5.965 -0.069 -8.701 1.00 0.00 H new ATOM 0 HA TRP A 44 -4.290 0.894 -6.523 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -7.261 0.589 -6.885 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -6.499 1.213 -5.436 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -6.630 2.134 -9.227 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -6.453 4.706 -9.501 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -5.942 3.232 -4.326 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -6.060 6.916 -7.762 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -5.672 5.622 -3.700 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -5.722 7.432 -5.328 1.00 0.00 H new ATOM 652 N LEU A 45 -4.588 -0.891 -4.767 1.00 0.00 N ATOM 653 CA LEU A 45 -4.480 -2.034 -3.877 1.00 0.00 C ATOM 654 C LEU A 45 -4.973 -1.639 -2.483 1.00 0.00 C ATOM 655 O LEU A 45 -4.866 -0.479 -2.089 1.00 0.00 O ATOM 656 CB LEU A 45 -3.054 -2.590 -3.889 1.00 0.00 C ATOM 657 CG LEU A 45 -2.784 -3.720 -4.884 1.00 0.00 C ATOM 658 CD1 LEU A 45 -1.283 -3.989 -5.014 1.00 0.00 C ATOM 659 CD2 LEU A 45 -3.561 -4.982 -4.506 1.00 0.00 C ATOM 0 H LEU A 45 -4.251 -0.012 -4.375 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.118 -2.847 -4.223 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.368 -1.771 -4.104 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.817 -2.950 -2.888 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.141 -3.404 -5.864 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.119 -4.797 -5.727 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.781 -3.087 -5.365 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.879 -4.275 -4.043 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.351 -5.769 -5.230 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.258 -5.312 -3.512 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.629 -4.765 -4.506 1.00 0.00 H new ATOM 671 N TYR A 46 -5.504 -2.626 -1.777 1.00 0.00 N ATOM 672 CA TYR A 46 -6.015 -2.396 -0.436 1.00 0.00 C ATOM 673 C TYR A 46 -5.078 -2.991 0.617 1.00 0.00 C ATOM 674 O TYR A 46 -4.288 -3.885 0.317 1.00 0.00 O ATOM 675 CB TYR A 46 -7.362 -3.117 -0.368 1.00 0.00 C ATOM 676 CG TYR A 46 -8.327 -2.537 0.668 1.00 0.00 C ATOM 677 CD1 TYR A 46 -8.732 -1.221 0.575 1.00 0.00 C ATOM 678 CD2 TYR A 46 -8.792 -3.331 1.697 1.00 0.00 C ATOM 679 CE1 TYR A 46 -9.639 -0.676 1.551 1.00 0.00 C ATOM 680 CE2 TYR A 46 -9.700 -2.786 2.673 1.00 0.00 C ATOM 681 CZ TYR A 46 -10.079 -1.485 2.552 1.00 0.00 C ATOM 682 OH TYR A 46 -10.936 -0.970 3.473 1.00 0.00 O ATOM 0 H TYR A 46 -5.592 -3.587 -2.108 1.00 0.00 H new ATOM 0 HA TYR A 46 -6.102 -1.328 -0.237 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -7.833 -3.078 -1.350 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -7.188 -4.168 -0.139 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -8.368 -0.600 -0.230 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -8.475 -4.361 1.770 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -9.963 0.352 1.490 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -10.072 -3.396 3.483 1.00 0.00 H new ATOM 0 HH TYR A 46 -10.512 -0.211 3.925 1.00 0.00 H new ATOM 692 N GLY A 47 -5.197 -2.471 1.830 1.00 0.00 N ATOM 693 CA GLY A 47 -4.371 -2.941 2.929 1.00 0.00 C ATOM 694 C GLY A 47 -4.763 -2.257 4.241 1.00 0.00 C ATOM 695 O GLY A 47 -5.751 -1.527 4.293 1.00 0.00 O ATOM 0 H GLY A 47 -5.853 -1.729 2.076 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -4.477 -4.021 3.032 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.322 -2.743 2.711 1.00 0.00 H new ATOM 699 N GLU A 48 -3.967 -2.517 5.268 1.00 0.00 N ATOM 700 CA GLU A 48 -4.219 -1.936 6.576 1.00 0.00 C ATOM 701 C GLU A 48 -3.029 -1.080 7.014 1.00 0.00 C ATOM 702 O GLU A 48 -1.879 -1.426 6.747 1.00 0.00 O ATOM 703 CB GLU A 48 -4.523 -3.022 7.609 1.00 0.00 C ATOM 704 CG GLU A 48 -4.786 -2.410 8.987 1.00 0.00 C ATOM 705 CD GLU A 48 -5.081 -3.497 10.022 1.00 0.00 C ATOM 706 OE1 GLU A 48 -5.996 -4.305 9.752 1.00 0.00 O ATOM 707 OE2 GLU A 48 -4.386 -3.496 11.061 1.00 0.00 O ATOM 0 H GLU A 48 -3.147 -3.122 5.221 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.097 -1.294 6.504 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.392 -3.598 7.291 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.685 -3.716 7.669 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.920 -1.828 9.302 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.628 -1.721 8.928 1.00 0.00 H new ATOM 714 N HIS A 49 -3.346 0.021 7.679 1.00 0.00 N ATOM 715 CA HIS A 49 -2.317 0.929 8.157 1.00 0.00 C ATOM 716 C HIS A 49 -1.800 0.450 9.515 1.00 0.00 C ATOM 717 O HIS A 49 -2.586 0.093 10.391 1.00 0.00 O ATOM 718 CB HIS A 49 -2.837 2.368 8.194 1.00 0.00 C ATOM 719 CG HIS A 49 -1.748 3.414 8.216 1.00 0.00 C ATOM 720 ND1 HIS A 49 -0.841 3.530 9.254 1.00 0.00 N ATOM 721 CD2 HIS A 49 -1.430 4.389 7.316 1.00 0.00 C ATOM 722 CE1 HIS A 49 -0.019 4.533 8.982 1.00 0.00 C ATOM 723 NE2 HIS A 49 -0.387 5.064 7.781 1.00 0.00 N ATOM 0 H HIS A 49 -4.301 0.305 7.898 1.00 0.00 H new ATOM 0 HA HIS A 49 -1.475 0.926 7.465 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -3.471 2.537 7.324 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -3.465 2.494 9.076 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -1.941 4.579 6.384 1.00 0.00 H new ATOM 0 HE1 HIS A 49 0.798 4.870 9.602 1.00 0.00 H new ATOM 0 HE2 HIS A 49 0.066 5.851 7.316 1.00 0.00 H new ATOM 731 N ASP A 50 -0.482 0.459 9.646 1.00 0.00 N ATOM 732 CA ASP A 50 0.149 0.029 10.883 1.00 0.00 C ATOM 733 C ASP A 50 0.262 1.223 11.833 1.00 0.00 C ATOM 734 O ASP A 50 1.312 1.445 12.434 1.00 0.00 O ATOM 735 CB ASP A 50 1.559 -0.505 10.625 1.00 0.00 C ATOM 736 CG ASP A 50 2.001 -1.638 11.553 1.00 0.00 C ATOM 737 OD1 ASP A 50 1.100 -2.285 12.128 1.00 0.00 O ATOM 738 OD2 ASP A 50 3.231 -1.832 11.666 1.00 0.00 O ATOM 0 H ASP A 50 0.166 0.757 8.917 1.00 0.00 H new ATOM 0 HA ASP A 50 -0.462 -0.762 11.317 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.615 -0.857 9.595 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.266 0.319 10.720 1.00 0.00 H new ATOM 743 N THR A 51 -0.834 1.960 11.940 1.00 0.00 N ATOM 744 CA THR A 51 -0.870 3.125 12.808 1.00 0.00 C ATOM 745 C THR A 51 -2.312 3.451 13.202 1.00 0.00 C ATOM 746 O THR A 51 -2.689 3.308 14.364 1.00 0.00 O ATOM 747 CB THR A 51 -0.164 4.274 12.086 1.00 0.00 C ATOM 748 OG1 THR A 51 1.082 3.714 11.679 1.00 0.00 O ATOM 749 CG2 THR A 51 0.229 5.408 13.035 1.00 0.00 C ATOM 0 H THR A 51 -1.703 1.773 11.440 1.00 0.00 H new ATOM 0 HA THR A 51 -0.344 2.938 13.744 1.00 0.00 H new ATOM 0 HB THR A 51 -0.814 4.665 11.303 1.00 0.00 H new ATOM 0 HG1 THR A 51 1.426 3.132 12.388 1.00 0.00 H new ATOM 0 HG21 THR A 51 0.726 6.198 12.472 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.665 5.810 13.511 1.00 0.00 H new ATOM 0 HG23 THR A 51 0.906 5.025 13.799 1.00 0.00 H new ATOM 757 N THR A 52 -3.080 3.882 12.212 1.00 0.00 N ATOM 758 CA THR A 52 -4.472 4.229 12.441 1.00 0.00 C ATOM 759 C THR A 52 -5.305 2.967 12.677 1.00 0.00 C ATOM 760 O THR A 52 -6.360 3.024 13.306 1.00 0.00 O ATOM 761 CB THR A 52 -4.954 5.061 11.251 1.00 0.00 C ATOM 762 OG1 THR A 52 -4.334 4.448 10.124 1.00 0.00 O ATOM 763 CG2 THR A 52 -4.386 6.482 11.261 1.00 0.00 C ATOM 0 H THR A 52 -2.764 3.999 11.249 1.00 0.00 H new ATOM 0 HA THR A 52 -4.586 4.829 13.344 1.00 0.00 H new ATOM 0 HB THR A 52 -6.043 5.105 11.257 1.00 0.00 H new ATOM 0 HG1 THR A 52 -4.594 4.924 9.308 1.00 0.00 H new ATOM 0 HG21 THR A 52 -4.759 7.029 10.395 1.00 0.00 H new ATOM 0 HG22 THR A 52 -4.696 6.991 12.174 1.00 0.00 H new ATOM 0 HG23 THR A 52 -3.298 6.439 11.221 1.00 0.00 H new ATOM 771 N LYS A 53 -4.798 1.858 12.160 1.00 0.00 N ATOM 772 CA LYS A 53 -5.481 0.584 12.306 1.00 0.00 C ATOM 773 C LYS A 53 -6.632 0.509 11.301 1.00 0.00 C ATOM 774 O LYS A 53 -7.346 -0.491 11.242 1.00 0.00 O ATOM 775 CB LYS A 53 -5.918 0.374 13.758 1.00 0.00 C ATOM 776 CG LYS A 53 -4.788 0.726 14.727 1.00 0.00 C ATOM 777 CD LYS A 53 -3.701 -0.351 14.716 1.00 0.00 C ATOM 778 CE LYS A 53 -3.691 -1.132 16.032 1.00 0.00 C ATOM 779 NZ LYS A 53 -2.966 -2.412 15.869 1.00 0.00 N ATOM 0 H LYS A 53 -3.922 1.815 11.639 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.804 -0.239 12.078 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -6.791 0.991 13.972 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -6.218 -0.664 13.905 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.355 1.688 14.452 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -5.189 0.833 15.735 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -3.870 -1.035 13.884 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.727 0.112 14.556 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -3.218 -0.536 16.812 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -4.714 -1.325 16.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -2.968 -2.930 16.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.435 -2.986 15.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.985 -2.221 15.582 1.00 0.00 H new ATOM 793 N ALA A 54 -6.777 1.580 10.535 1.00 0.00 N ATOM 794 CA ALA A 54 -7.829 1.648 9.535 1.00 0.00 C ATOM 795 C ALA A 54 -7.263 1.229 8.176 1.00 0.00 C ATOM 796 O ALA A 54 -6.052 1.271 7.964 1.00 0.00 O ATOM 797 CB ALA A 54 -8.419 3.060 9.510 1.00 0.00 C ATOM 0 H ALA A 54 -6.183 2.408 10.587 1.00 0.00 H new ATOM 0 HA ALA A 54 -8.638 0.960 9.782 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -9.208 3.111 8.760 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -8.833 3.299 10.490 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.636 3.777 9.263 1.00 0.00 H new ATOM 803 N ARG A 55 -8.166 0.833 7.291 1.00 0.00 N ATOM 804 CA ARG A 55 -7.773 0.407 5.960 1.00 0.00 C ATOM 805 C ARG A 55 -8.425 1.299 4.902 1.00 0.00 C ATOM 806 O ARG A 55 -9.606 1.628 5.004 1.00 0.00 O ATOM 807 CB ARG A 55 -8.173 -1.048 5.706 1.00 0.00 C ATOM 808 CG ARG A 55 -7.503 -1.984 6.715 1.00 0.00 C ATOM 809 CD ARG A 55 -8.548 -2.744 7.535 1.00 0.00 C ATOM 810 NE ARG A 55 -8.368 -2.456 8.976 1.00 0.00 N ATOM 811 CZ ARG A 55 -9.230 -2.830 9.931 1.00 0.00 C ATOM 812 NH1 ARG A 55 -10.338 -3.510 9.604 1.00 0.00 N ATOM 813 NH2 ARG A 55 -8.985 -2.525 11.212 1.00 0.00 N ATOM 0 H ARG A 55 -9.169 0.798 7.471 1.00 0.00 H new ATOM 0 HA ARG A 55 -6.688 0.491 5.893 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -9.256 -1.149 5.775 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -7.890 -1.336 4.694 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -6.862 -2.692 6.190 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -6.862 -1.407 7.381 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -9.550 -2.454 7.220 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -8.455 -3.815 7.355 1.00 0.00 H new ATOM 0 HE ARG A 55 -7.535 -1.940 9.260 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -10.524 -3.742 8.629 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -10.995 -3.795 10.331 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -8.142 -2.008 11.461 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -9.642 -2.810 11.939 1.00 0.00 H new ATOM 827 N GLY A 56 -7.627 1.666 3.909 1.00 0.00 N ATOM 828 CA GLY A 56 -8.112 2.514 2.834 1.00 0.00 C ATOM 829 C GLY A 56 -7.694 1.962 1.470 1.00 0.00 C ATOM 830 O GLY A 56 -7.232 0.827 1.370 1.00 0.00 O ATOM 0 H GLY A 56 -6.648 1.391 3.827 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.199 2.585 2.884 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -7.720 3.524 2.957 1.00 0.00 H new ATOM 834 N TRP A 57 -7.870 2.792 0.452 1.00 0.00 N ATOM 835 CA TRP A 57 -7.517 2.402 -0.902 1.00 0.00 C ATOM 836 C TRP A 57 -6.318 3.245 -1.340 1.00 0.00 C ATOM 837 O TRP A 57 -6.295 4.456 -1.126 1.00 0.00 O ATOM 838 CB TRP A 57 -8.716 2.535 -1.842 1.00 0.00 C ATOM 839 CG TRP A 57 -9.749 1.416 -1.697 1.00 0.00 C ATOM 840 CD1 TRP A 57 -10.953 1.474 -1.111 1.00 0.00 C ATOM 841 CD2 TRP A 57 -9.619 0.059 -2.172 1.00 0.00 C ATOM 842 NE1 TRP A 57 -11.605 0.260 -1.174 1.00 0.00 N ATOM 843 CE2 TRP A 57 -10.769 -0.628 -1.839 1.00 0.00 C ATOM 844 CE3 TRP A 57 -8.565 -0.567 -2.861 1.00 0.00 C ATOM 845 CZ2 TRP A 57 -10.974 -1.976 -2.154 1.00 0.00 C ATOM 846 CZ3 TRP A 57 -8.785 -1.915 -3.168 1.00 0.00 C ATOM 847 CH2 TRP A 57 -9.937 -2.620 -2.840 1.00 0.00 C ATOM 0 H TRP A 57 -8.253 3.734 0.538 1.00 0.00 H new ATOM 0 HA TRP A 57 -7.235 1.350 -0.938 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -9.204 3.492 -1.658 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -8.357 2.553 -2.871 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -11.361 2.360 -0.648 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -12.531 0.052 -0.801 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -7.657 -0.049 -3.132 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -11.883 -2.492 -1.883 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -8.006 -2.444 -3.696 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -10.032 -3.661 -3.113 1.00 0.00 H new ATOM 858 N PHE A 58 -5.350 2.572 -1.944 1.00 0.00 N ATOM 859 CA PHE A 58 -4.151 3.244 -2.414 1.00 0.00 C ATOM 860 C PHE A 58 -3.676 2.655 -3.744 1.00 0.00 C ATOM 861 O PHE A 58 -3.912 1.481 -4.026 1.00 0.00 O ATOM 862 CB PHE A 58 -3.069 3.020 -1.355 1.00 0.00 C ATOM 863 CG PHE A 58 -2.742 1.547 -1.102 1.00 0.00 C ATOM 864 CD1 PHE A 58 -1.966 0.861 -1.984 1.00 0.00 C ATOM 865 CD2 PHE A 58 -3.228 0.923 0.005 1.00 0.00 C ATOM 866 CE1 PHE A 58 -1.664 -0.507 -1.749 1.00 0.00 C ATOM 867 CE2 PHE A 58 -2.925 -0.444 0.240 1.00 0.00 C ATOM 868 CZ PHE A 58 -2.149 -1.130 -0.642 1.00 0.00 C ATOM 0 H PHE A 58 -5.372 1.567 -2.119 1.00 0.00 H new ATOM 0 HA PHE A 58 -4.356 4.303 -2.570 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.160 3.536 -1.664 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -3.391 3.476 -0.419 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.580 1.356 -2.863 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -3.844 1.468 0.705 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.049 -1.052 -2.450 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -3.311 -0.939 1.119 1.00 0.00 H new ATOM 0 HZ PHE A 58 -1.918 -2.170 -0.463 1.00 0.00 H new ATOM 878 N PRO A 59 -2.999 3.519 -4.546 1.00 0.00 N ATOM 879 CA PRO A 59 -2.490 3.096 -5.840 1.00 0.00 C ATOM 880 C PRO A 59 -1.248 2.218 -5.680 1.00 0.00 C ATOM 881 O PRO A 59 -0.253 2.644 -5.094 1.00 0.00 O ATOM 882 CB PRO A 59 -2.212 4.387 -6.594 1.00 0.00 C ATOM 883 CG PRO A 59 -2.134 5.478 -5.538 1.00 0.00 C ATOM 884 CD PRO A 59 -2.702 4.916 -4.245 1.00 0.00 C ATOM 0 HA PRO A 59 -3.198 2.474 -6.388 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -1.280 4.319 -7.155 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -3.003 4.597 -7.314 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -1.102 5.797 -5.395 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -2.698 6.356 -5.853 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -1.986 5.001 -3.428 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -3.599 5.455 -3.940 1.00 0.00 H new ATOM 892 N SER A 60 -1.346 1.008 -6.210 1.00 0.00 N ATOM 893 CA SER A 60 -0.242 0.065 -6.132 1.00 0.00 C ATOM 894 C SER A 60 1.055 0.741 -6.581 1.00 0.00 C ATOM 895 O SER A 60 2.145 0.312 -6.204 1.00 0.00 O ATOM 896 CB SER A 60 -0.516 -1.175 -6.985 1.00 0.00 C ATOM 897 OG SER A 60 -0.347 -0.915 -8.376 1.00 0.00 O ATOM 0 H SER A 60 -2.172 0.658 -6.695 1.00 0.00 H new ATOM 0 HA SER A 60 -0.138 -0.256 -5.095 1.00 0.00 H new ATOM 0 HB2 SER A 60 0.155 -1.979 -6.682 1.00 0.00 H new ATOM 0 HB3 SER A 60 -1.533 -1.523 -6.802 1.00 0.00 H new ATOM 0 HG SER A 60 -1.224 -0.791 -8.795 1.00 0.00 H new ATOM 903 N SER A 61 0.895 1.787 -7.378 1.00 0.00 N ATOM 904 CA SER A 61 2.041 2.526 -7.882 1.00 0.00 C ATOM 905 C SER A 61 2.696 3.313 -6.745 1.00 0.00 C ATOM 906 O SER A 61 3.910 3.512 -6.742 1.00 0.00 O ATOM 907 CB SER A 61 1.632 3.470 -9.014 1.00 0.00 C ATOM 908 OG SER A 61 2.277 3.141 -10.242 1.00 0.00 O ATOM 0 H SER A 61 -0.010 2.141 -7.687 1.00 0.00 H new ATOM 0 HA SER A 61 2.760 1.812 -8.283 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.551 3.427 -9.149 1.00 0.00 H new ATOM 0 HB3 SER A 61 1.879 4.495 -8.738 1.00 0.00 H new ATOM 0 HG SER A 61 1.989 3.765 -10.940 1.00 0.00 H new ATOM 914 N TYR A 62 1.863 3.741 -5.807 1.00 0.00 N ATOM 915 CA TYR A 62 2.347 4.502 -4.668 1.00 0.00 C ATOM 916 C TYR A 62 2.853 3.573 -3.563 1.00 0.00 C ATOM 917 O TYR A 62 3.113 4.016 -2.445 1.00 0.00 O ATOM 918 CB TYR A 62 1.143 5.289 -4.145 1.00 0.00 C ATOM 919 CG TYR A 62 1.018 6.697 -4.730 1.00 0.00 C ATOM 920 CD1 TYR A 62 1.047 6.881 -6.098 1.00 0.00 C ATOM 921 CD2 TYR A 62 0.875 7.783 -3.891 1.00 0.00 C ATOM 922 CE1 TYR A 62 0.930 8.206 -6.648 1.00 0.00 C ATOM 923 CE2 TYR A 62 0.757 9.108 -4.442 1.00 0.00 C ATOM 924 CZ TYR A 62 0.790 9.254 -5.793 1.00 0.00 C ATOM 925 OH TYR A 62 0.679 10.506 -6.314 1.00 0.00 O ATOM 0 H TYR A 62 0.857 3.575 -5.813 1.00 0.00 H new ATOM 0 HA TYR A 62 3.174 5.149 -4.962 1.00 0.00 H new ATOM 0 HB2 TYR A 62 0.233 4.732 -4.368 1.00 0.00 H new ATOM 0 HB3 TYR A 62 1.214 5.363 -3.060 1.00 0.00 H new ATOM 0 HD1 TYR A 62 1.157 6.031 -6.755 1.00 0.00 H new ATOM 0 HD2 TYR A 62 0.852 7.639 -2.821 1.00 0.00 H new ATOM 0 HE1 TYR A 62 0.953 8.364 -7.716 1.00 0.00 H new ATOM 0 HE2 TYR A 62 0.645 9.967 -3.796 1.00 0.00 H new ATOM 0 HH TYR A 62 0.584 11.156 -5.587 1.00 0.00 H new ATOM 935 N THR A 63 2.977 2.301 -3.914 1.00 0.00 N ATOM 936 CA THR A 63 3.448 1.306 -2.965 1.00 0.00 C ATOM 937 C THR A 63 4.295 0.250 -3.677 1.00 0.00 C ATOM 938 O THR A 63 4.104 -0.007 -4.865 1.00 0.00 O ATOM 939 CB THR A 63 2.229 0.724 -2.247 1.00 0.00 C ATOM 940 OG1 THR A 63 1.289 0.490 -3.292 1.00 0.00 O ATOM 941 CG2 THR A 63 1.536 1.748 -1.345 1.00 0.00 C ATOM 0 H THR A 63 2.760 1.937 -4.842 1.00 0.00 H new ATOM 0 HA THR A 63 4.102 1.752 -2.216 1.00 0.00 H new ATOM 0 HB THR A 63 2.536 -0.136 -1.651 1.00 0.00 H new ATOM 0 HG1 THR A 63 0.400 0.344 -2.906 1.00 0.00 H new ATOM 0 HG21 THR A 63 0.678 1.283 -0.860 1.00 0.00 H new ATOM 0 HG22 THR A 63 2.236 2.098 -0.587 1.00 0.00 H new ATOM 0 HG23 THR A 63 1.200 2.593 -1.946 1.00 0.00 H new ATOM 949 N LYS A 64 5.213 -0.334 -2.922 1.00 0.00 N ATOM 950 CA LYS A 64 6.090 -1.357 -3.465 1.00 0.00 C ATOM 951 C LYS A 64 6.128 -2.551 -2.510 1.00 0.00 C ATOM 952 O LYS A 64 5.818 -2.415 -1.327 1.00 0.00 O ATOM 953 CB LYS A 64 7.470 -0.772 -3.773 1.00 0.00 C ATOM 954 CG LYS A 64 7.362 0.405 -4.746 1.00 0.00 C ATOM 955 CD LYS A 64 8.559 0.442 -5.697 1.00 0.00 C ATOM 956 CE LYS A 64 8.111 0.725 -7.132 1.00 0.00 C ATOM 957 NZ LYS A 64 9.124 1.539 -7.840 1.00 0.00 N ATOM 0 H LYS A 64 5.369 -0.118 -1.937 1.00 0.00 H new ATOM 0 HA LYS A 64 5.704 -1.722 -4.417 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.944 -0.442 -2.848 1.00 0.00 H new ATOM 0 HB3 LYS A 64 8.109 -1.544 -4.200 1.00 0.00 H new ATOM 0 HG2 LYS A 64 6.439 0.323 -5.320 1.00 0.00 H new ATOM 0 HG3 LYS A 64 7.308 1.339 -4.187 1.00 0.00 H new ATOM 0 HD2 LYS A 64 9.261 1.210 -5.373 1.00 0.00 H new ATOM 0 HD3 LYS A 64 9.088 -0.510 -5.659 1.00 0.00 H new ATOM 0 HE2 LYS A 64 7.955 -0.214 -7.663 1.00 0.00 H new ATOM 0 HE3 LYS A 64 7.155 1.249 -7.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 8.804 1.722 -8.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.253 2.443 -7.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 10.028 1.025 -7.864 1.00 0.00 H new ATOM 971 N LEU A 65 6.511 -3.695 -3.058 1.00 0.00 N ATOM 972 CA LEU A 65 6.594 -4.912 -2.268 1.00 0.00 C ATOM 973 C LEU A 65 7.837 -4.855 -1.379 1.00 0.00 C ATOM 974 O LEU A 65 8.921 -4.505 -1.843 1.00 0.00 O ATOM 975 CB LEU A 65 6.543 -6.144 -3.175 1.00 0.00 C ATOM 976 CG LEU A 65 5.149 -6.599 -3.611 1.00 0.00 C ATOM 977 CD1 LEU A 65 5.164 -7.106 -5.054 1.00 0.00 C ATOM 978 CD2 LEU A 65 4.585 -7.641 -2.643 1.00 0.00 C ATOM 0 H LEU A 65 6.767 -3.805 -4.039 1.00 0.00 H new ATOM 0 HA LEU A 65 5.732 -4.995 -1.606 1.00 0.00 H new ATOM 0 HB2 LEU A 65 7.132 -5.937 -4.069 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.028 -6.972 -2.658 1.00 0.00 H new ATOM 0 HG LEU A 65 4.483 -5.737 -3.580 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.161 -7.423 -5.339 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.494 -6.306 -5.717 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.848 -7.950 -5.136 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.593 -7.948 -2.976 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.244 -8.509 -2.618 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.515 -7.210 -1.644 1.00 0.00 H new ATOM 990 N LEU A 66 7.639 -5.203 -0.116 1.00 0.00 N ATOM 991 CA LEU A 66 8.731 -5.196 0.843 1.00 0.00 C ATOM 992 C LEU A 66 9.818 -6.168 0.380 1.00 0.00 C ATOM 993 O LEU A 66 9.645 -6.869 -0.616 1.00 0.00 O ATOM 994 CB LEU A 66 8.208 -5.483 2.252 1.00 0.00 C ATOM 995 CG LEU A 66 7.309 -4.409 2.866 1.00 0.00 C ATOM 996 CD1 LEU A 66 7.542 -4.295 4.374 1.00 0.00 C ATOM 997 CD2 LEU A 66 7.494 -3.067 2.155 1.00 0.00 C ATOM 0 H LEU A 66 6.738 -5.492 0.266 1.00 0.00 H new ATOM 0 HA LEU A 66 9.188 -4.208 0.893 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.654 -6.422 2.228 1.00 0.00 H new ATOM 0 HB3 LEU A 66 9.063 -5.634 2.911 1.00 0.00 H new ATOM 0 HG LEU A 66 6.271 -4.710 2.722 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.890 -3.524 4.786 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.320 -5.250 4.850 1.00 0.00 H new ATOM 0 HD13 LEU A 66 8.582 -4.029 4.562 1.00 0.00 H new ATOM 0 HD21 LEU A 66 6.843 -2.321 2.611 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.532 -2.747 2.246 1.00 0.00 H new ATOM 0 HD23 LEU A 66 7.239 -3.175 1.101 1.00 0.00 H new ATOM 1009 N SER A 67 10.913 -6.179 1.124 1.00 0.00 N ATOM 1010 CA SER A 67 12.028 -7.054 0.802 1.00 0.00 C ATOM 1011 C SER A 67 12.626 -7.634 2.086 1.00 0.00 C ATOM 1012 O SER A 67 13.558 -7.066 2.652 1.00 0.00 O ATOM 1013 CB SER A 67 13.101 -6.308 0.007 1.00 0.00 C ATOM 1014 OG SER A 67 12.829 -6.313 -1.392 1.00 0.00 O ATOM 0 H SER A 67 11.053 -5.596 1.949 1.00 0.00 H new ATOM 0 HA SER A 67 11.655 -7.869 0.182 1.00 0.00 H new ATOM 0 HB2 SER A 67 13.164 -5.279 0.360 1.00 0.00 H new ATOM 0 HB3 SER A 67 14.072 -6.768 0.189 1.00 0.00 H new ATOM 0 HG SER A 67 13.536 -5.825 -1.864 1.00 0.00 H new ATOM 1020 N GLY A 68 12.064 -8.757 2.507 1.00 0.00 N ATOM 1021 CA GLY A 68 12.530 -9.420 3.713 1.00 0.00 C ATOM 1022 C GLY A 68 12.091 -10.886 3.738 1.00 0.00 C ATOM 1023 O GLY A 68 11.137 -11.263 3.060 1.00 0.00 O ATOM 0 H GLY A 68 11.290 -9.225 2.035 1.00 0.00 H new ATOM 0 HA2 GLY A 68 13.617 -9.361 3.768 1.00 0.00 H new ATOM 0 HA3 GLY A 68 12.139 -8.905 4.590 1.00 0.00 H new ATOM 1027 N PRO A 69 12.828 -11.693 4.547 1.00 0.00 N ATOM 1028 CA PRO A 69 12.525 -13.109 4.669 1.00 0.00 C ATOM 1029 C PRO A 69 11.276 -13.330 5.526 1.00 0.00 C ATOM 1030 O PRO A 69 11.201 -12.849 6.656 1.00 0.00 O ATOM 1031 CB PRO A 69 13.775 -13.729 5.270 1.00 0.00 C ATOM 1032 CG PRO A 69 14.553 -12.580 5.891 1.00 0.00 C ATOM 1033 CD PRO A 69 13.965 -11.281 5.365 1.00 0.00 C ATOM 0 HA PRO A 69 12.288 -13.573 3.711 1.00 0.00 H new ATOM 0 HB2 PRO A 69 13.518 -14.477 6.020 1.00 0.00 H new ATOM 0 HB3 PRO A 69 14.367 -14.234 4.506 1.00 0.00 H new ATOM 0 HG2 PRO A 69 14.486 -12.617 6.978 1.00 0.00 H new ATOM 0 HG3 PRO A 69 15.610 -12.652 5.635 1.00 0.00 H new ATOM 0 HD2 PRO A 69 13.651 -10.630 6.181 1.00 0.00 H new ATOM 0 HD3 PRO A 69 14.695 -10.725 4.777 1.00 0.00 H new ATOM 1041 N SER A 70 10.328 -14.059 4.956 1.00 0.00 N ATOM 1042 CA SER A 70 9.087 -14.350 5.653 1.00 0.00 C ATOM 1043 C SER A 70 8.635 -15.778 5.344 1.00 0.00 C ATOM 1044 O SER A 70 7.781 -15.990 4.484 1.00 0.00 O ATOM 1045 CB SER A 70 7.992 -13.352 5.270 1.00 0.00 C ATOM 1046 OG SER A 70 7.032 -13.187 6.309 1.00 0.00 O ATOM 0 H SER A 70 10.394 -14.457 4.019 1.00 0.00 H new ATOM 0 HA SER A 70 9.267 -14.257 6.724 1.00 0.00 H new ATOM 0 HB2 SER A 70 8.445 -12.388 5.039 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.491 -13.694 4.364 1.00 0.00 H new ATOM 0 HG SER A 70 6.351 -12.541 6.026 1.00 0.00 H new ATOM 1052 N SER A 71 9.228 -16.721 6.061 1.00 0.00 N ATOM 1053 CA SER A 71 8.897 -18.123 5.873 1.00 0.00 C ATOM 1054 C SER A 71 9.524 -18.640 4.577 1.00 0.00 C ATOM 1055 O SER A 71 10.315 -19.582 4.597 1.00 0.00 O ATOM 1056 CB SER A 71 7.382 -18.334 5.852 1.00 0.00 C ATOM 1057 OG SER A 71 7.011 -19.598 6.393 1.00 0.00 O ATOM 0 H SER A 71 9.936 -16.542 6.773 1.00 0.00 H new ATOM 0 HA SER A 71 9.302 -18.685 6.714 1.00 0.00 H new ATOM 0 HB2 SER A 71 6.898 -17.540 6.421 1.00 0.00 H new ATOM 0 HB3 SER A 71 7.020 -18.258 4.827 1.00 0.00 H new ATOM 0 HG SER A 71 6.036 -19.693 6.363 1.00 0.00 H new ATOM 1063 N GLY A 72 9.146 -18.001 3.479 1.00 0.00 N ATOM 1064 CA GLY A 72 9.661 -18.384 2.176 1.00 0.00 C ATOM 1065 C GLY A 72 9.445 -17.268 1.151 1.00 0.00 C ATOM 1066 O GLY A 72 9.724 -17.445 -0.034 1.00 0.00 O ATOM 0 H GLY A 72 8.489 -17.221 3.466 1.00 0.00 H new ATOM 0 HA2 GLY A 72 10.724 -18.611 2.254 1.00 0.00 H new ATOM 0 HA3 GLY A 72 9.165 -19.294 1.838 1.00 0.00 H new TER 1070 GLY A 72