USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 588 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 63 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 64 THR OG1 : rot 180:sc= 0.07 USER MOD Set 2.1: A 52 THR OG1 : rot -117:sc= 0.96 USER MOD Set 2.2: A 75 HIS : no HD1:sc= 0.948 K(o=1.9,f=-9.2!) USER MOD Single : A 1 SER N :NH3+ -122:sc= 0.128 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.167 USER MOD Single : A 8 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0426) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.45 K(o=-0.45,f=-2.1!) USER MOD Single : A 14 GLN : amide:sc= -7.62! C(o=-7.6!,f=-14!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.797 K(o=-0.8,f=-3!) USER MOD Single : A 23 THR OG1 : rot -94:sc= -6.24! USER MOD Single : A 24 ASN : amide:sc= -0.653 K(o=-0.65,f=-4.2!) USER MOD Single : A 25 ASN : amide:sc= -0.094 K(o=-0.094,f=-1.1) USER MOD Single : A 27 SER OG : rot 180:sc= -1.44 USER MOD Single : A 36 SER OG : rot 69:sc= 0.00255 USER MOD Single : A 39 THR OG1 : rot -160:sc= -0.0101 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -163:sc=-0.00341 (180deg=-0.0921) USER MOD Single : A 66 GLN : amide:sc= -0.108 X(o=-0.11,f=0) USER MOD Single : A 71 TYR OH : rot 49:sc= -2.24 USER MOD Single : A 73 ASN :FLIP amide:sc= -0.241 F(o=-0.96,f=-0.24) USER MOD Single : A 76 GLN : amide:sc= -1.05 X(o=-1,f=-0.58) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -2.769 -9.062 -11.110 1.00 0.00 N ATOM 2 CA SER A 1 -2.919 -10.346 -10.447 1.00 0.00 C ATOM 3 C SER A 1 -4.012 -10.259 -9.379 1.00 0.00 C ATOM 4 O SER A 1 -4.676 -9.232 -9.248 1.00 0.00 O ATOM 5 CB SER A 1 -1.600 -10.801 -9.820 1.00 0.00 C ATOM 6 OG SER A 1 -0.662 -11.230 -10.803 1.00 0.00 O ATOM 0 H1 SER A 1 -2.927 -9.178 -12.131 1.00 0.00 H new ATOM 0 H2 SER A 1 -3.464 -8.390 -10.727 1.00 0.00 H new ATOM 0 H3 SER A 1 -1.809 -8.697 -10.947 1.00 0.00 H new ATOM 0 HA SER A 1 -3.208 -11.085 -11.195 1.00 0.00 H new ATOM 0 HB2 SER A 1 -1.171 -9.982 -9.243 1.00 0.00 H new ATOM 0 HB3 SER A 1 -1.792 -11.616 -9.122 1.00 0.00 H new ATOM 0 HG SER A 1 0.167 -11.511 -10.363 1.00 0.00 H new ATOM 12 N THR A 2 -4.164 -11.350 -8.643 1.00 0.00 N ATOM 13 CA THR A 2 -5.164 -11.409 -7.591 1.00 0.00 C ATOM 14 C THR A 2 -4.616 -10.801 -6.298 1.00 0.00 C ATOM 15 O THR A 2 -5.230 -10.926 -5.240 1.00 0.00 O ATOM 16 CB THR A 2 -5.604 -12.867 -7.438 1.00 0.00 C ATOM 17 OG1 THR A 2 -4.426 -13.616 -7.724 1.00 0.00 O ATOM 18 CG2 THR A 2 -6.592 -13.297 -8.523 1.00 0.00 C ATOM 0 H THR A 2 -3.611 -12.200 -8.754 1.00 0.00 H new ATOM 0 HA THR A 2 -6.041 -10.814 -7.846 1.00 0.00 H new ATOM 0 HB THR A 2 -6.058 -13.008 -6.457 1.00 0.00 H new ATOM 0 HG1 THR A 2 -4.620 -14.573 -7.646 1.00 0.00 H new ATOM 0 HG21 THR A 2 -6.872 -14.339 -8.368 1.00 0.00 H new ATOM 0 HG22 THR A 2 -7.483 -12.671 -8.473 1.00 0.00 H new ATOM 0 HG23 THR A 2 -6.127 -13.188 -9.503 1.00 0.00 H new ATOM 26 N ILE A 3 -3.466 -10.155 -6.427 1.00 0.00 N ATOM 27 CA ILE A 3 -2.828 -9.528 -5.283 1.00 0.00 C ATOM 28 C ILE A 3 -3.149 -8.032 -5.282 1.00 0.00 C ATOM 29 O ILE A 3 -3.606 -7.492 -4.276 1.00 0.00 O ATOM 30 CB ILE A 3 -1.329 -9.835 -5.270 1.00 0.00 C ATOM 31 CG1 ILE A 3 -0.793 -9.892 -3.838 1.00 0.00 C ATOM 32 CG2 ILE A 3 -0.557 -8.834 -6.131 1.00 0.00 C ATOM 33 CD1 ILE A 3 -0.224 -8.537 -3.411 1.00 0.00 C ATOM 0 H ILE A 3 -2.960 -10.053 -7.307 1.00 0.00 H new ATOM 0 HA ILE A 3 -3.222 -9.940 -4.354 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.179 -10.821 -5.709 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.593 -10.185 -3.158 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -0.018 -10.655 -3.766 1.00 0.00 H new ATOM 0 HG21 ILE A 3 0.506 -9.075 -6.104 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.915 -8.886 -7.159 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -0.711 -7.827 -5.744 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.150 -8.605 -2.389 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.592 -8.258 -4.078 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -1.008 -7.781 -3.461 1.00 0.00 H new ATOM 45 N GLU A 4 -2.897 -7.405 -6.422 1.00 0.00 N ATOM 46 CA GLU A 4 -3.154 -5.982 -6.565 1.00 0.00 C ATOM 47 C GLU A 4 -4.606 -5.665 -6.204 1.00 0.00 C ATOM 48 O GLU A 4 -4.872 -4.744 -5.434 1.00 0.00 O ATOM 49 CB GLU A 4 -2.825 -5.505 -7.982 1.00 0.00 C ATOM 50 CG GLU A 4 -3.834 -6.053 -8.993 1.00 0.00 C ATOM 51 CD GLU A 4 -3.406 -5.728 -10.425 1.00 0.00 C ATOM 52 OE1 GLU A 4 -2.242 -5.368 -10.658 1.00 0.00 O ATOM 53 OE2 GLU A 4 -4.331 -5.861 -11.314 1.00 0.00 O ATOM 0 H GLU A 4 -2.518 -7.856 -7.255 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.503 -5.445 -5.875 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.829 -4.415 -8.013 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -1.820 -5.828 -8.254 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.925 -7.133 -8.873 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.818 -5.627 -8.798 1.00 0.00 H new ATOM 61 N GLU A 5 -5.509 -6.447 -6.778 1.00 0.00 N ATOM 62 CA GLU A 5 -6.928 -6.262 -6.526 1.00 0.00 C ATOM 63 C GLU A 5 -7.196 -6.197 -5.021 1.00 0.00 C ATOM 64 O GLU A 5 -8.036 -5.420 -4.569 1.00 0.00 O ATOM 65 CB GLU A 5 -7.751 -7.372 -7.182 1.00 0.00 C ATOM 66 CG GLU A 5 -7.101 -8.740 -6.961 1.00 0.00 C ATOM 67 CD GLU A 5 -8.106 -9.869 -7.196 1.00 0.00 C ATOM 68 OE1 GLU A 5 -8.250 -10.758 -6.343 1.00 0.00 O ATOM 69 OE2 GLU A 5 -8.750 -9.802 -8.311 1.00 0.00 O ATOM 0 H GLU A 5 -5.285 -7.210 -7.417 1.00 0.00 H new ATOM 0 HA GLU A 5 -7.235 -5.316 -6.971 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -8.760 -7.374 -6.769 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -7.844 -7.178 -8.251 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -6.253 -8.857 -7.636 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -6.711 -8.801 -5.945 1.00 0.00 H new ATOM 77 N ARG A 6 -6.466 -7.023 -4.286 1.00 0.00 N ATOM 78 CA ARG A 6 -6.614 -7.069 -2.841 1.00 0.00 C ATOM 79 C ARG A 6 -5.808 -5.944 -2.189 1.00 0.00 C ATOM 80 O ARG A 6 -6.193 -5.427 -1.141 1.00 0.00 O ATOM 81 CB ARG A 6 -6.145 -8.413 -2.282 1.00 0.00 C ATOM 82 CG ARG A 6 -7.093 -9.540 -2.697 1.00 0.00 C ATOM 83 CD ARG A 6 -6.416 -10.905 -2.557 1.00 0.00 C ATOM 84 NE ARG A 6 -6.226 -11.232 -1.126 1.00 0.00 N ATOM 85 CZ ARG A 6 -7.216 -11.642 -0.305 1.00 0.00 C ATOM 86 NH1 ARG A 6 -8.477 -11.779 -0.768 1.00 0.00 N ATOM 87 NH2 ARG A 6 -6.933 -11.907 0.956 1.00 0.00 N ATOM 0 H ARG A 6 -5.770 -7.666 -4.664 1.00 0.00 H new ATOM 0 HA ARG A 6 -7.672 -6.943 -2.612 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -5.139 -8.629 -2.641 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -6.091 -8.360 -1.195 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.991 -9.510 -2.080 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -7.410 -9.392 -3.729 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -7.024 -11.672 -3.036 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -5.453 -10.896 -3.067 1.00 0.00 H new ATOM 0 HE ARG A 6 -5.288 -11.142 -0.736 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -8.687 -11.572 -1.744 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -9.220 -12.089 -0.141 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -5.978 -11.801 1.297 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -7.670 -12.218 1.590 1.00 0.00 H new ATOM 100 N VAL A 7 -4.705 -5.597 -2.836 1.00 0.00 N ATOM 101 CA VAL A 7 -3.842 -4.543 -2.332 1.00 0.00 C ATOM 102 C VAL A 7 -4.655 -3.257 -2.170 1.00 0.00 C ATOM 103 O VAL A 7 -4.436 -2.494 -1.231 1.00 0.00 O ATOM 104 CB VAL A 7 -2.631 -4.373 -3.252 1.00 0.00 C ATOM 105 CG1 VAL A 7 -1.949 -3.024 -3.017 1.00 0.00 C ATOM 106 CG2 VAL A 7 -1.641 -5.526 -3.074 1.00 0.00 C ATOM 0 H VAL A 7 -4.389 -6.027 -3.705 1.00 0.00 H new ATOM 0 HA VAL A 7 -3.452 -4.807 -1.349 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.987 -4.393 -4.282 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -1.092 -2.929 -3.683 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.656 -2.219 -3.218 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.613 -2.962 -1.982 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.790 -5.381 -3.739 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.294 -5.551 -2.041 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.133 -6.468 -3.315 1.00 0.00 H new ATOM 116 N LYS A 8 -5.577 -3.057 -3.101 1.00 0.00 N ATOM 117 CA LYS A 8 -6.424 -1.877 -3.074 1.00 0.00 C ATOM 118 C LYS A 8 -7.125 -1.789 -1.717 1.00 0.00 C ATOM 119 O LYS A 8 -7.386 -0.694 -1.219 1.00 0.00 O ATOM 120 CB LYS A 8 -7.386 -1.880 -4.263 1.00 0.00 C ATOM 121 CG LYS A 8 -6.806 -1.092 -5.440 1.00 0.00 C ATOM 122 CD LYS A 8 -6.021 -2.009 -6.380 1.00 0.00 C ATOM 123 CE LYS A 8 -6.435 -1.785 -7.836 1.00 0.00 C ATOM 124 NZ LYS A 8 -6.108 -2.972 -8.657 1.00 0.00 N ATOM 0 H LYS A 8 -5.756 -3.693 -3.879 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.823 -0.974 -3.183 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -7.586 -2.906 -4.571 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -8.340 -1.445 -3.965 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -7.612 -0.606 -5.990 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.153 -0.303 -5.067 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.953 -1.822 -6.269 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.192 -3.050 -6.105 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -7.505 -1.583 -7.889 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -5.925 -0.908 -8.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -6.237 -2.744 -9.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -5.120 -3.249 -8.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -6.737 -3.758 -8.397 1.00 0.00 H new ATOM 137 N LYS A 9 -7.409 -2.955 -1.156 1.00 0.00 N ATOM 138 CA LYS A 9 -8.074 -3.023 0.134 1.00 0.00 C ATOM 139 C LYS A 9 -7.144 -2.465 1.213 1.00 0.00 C ATOM 140 O LYS A 9 -7.537 -1.591 1.985 1.00 0.00 O ATOM 141 CB LYS A 9 -8.555 -4.448 0.414 1.00 0.00 C ATOM 142 CG LYS A 9 -10.043 -4.465 0.770 1.00 0.00 C ATOM 143 CD LYS A 9 -10.703 -5.766 0.309 1.00 0.00 C ATOM 144 CE LYS A 9 -12.203 -5.756 0.609 1.00 0.00 C ATOM 145 NZ LYS A 9 -12.971 -6.219 -0.568 1.00 0.00 N ATOM 0 H LYS A 9 -7.191 -3.861 -1.571 1.00 0.00 H new ATOM 0 HA LYS A 9 -8.970 -2.403 0.133 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.380 -5.073 -0.461 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -7.977 -4.876 1.233 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.164 -4.354 1.848 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.542 -3.615 0.304 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.543 -5.900 -0.761 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -10.234 -6.613 0.810 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.413 -6.399 1.463 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -12.518 -4.749 0.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -13.987 -6.206 -0.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -12.784 -5.589 -1.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -12.682 -7.188 -0.812 1.00 0.00 H new ATOM 158 N ILE A 10 -5.929 -2.993 1.232 1.00 0.00 N ATOM 159 CA ILE A 10 -4.940 -2.558 2.204 1.00 0.00 C ATOM 160 C ILE A 10 -4.862 -1.030 2.197 1.00 0.00 C ATOM 161 O ILE A 10 -5.007 -0.393 3.240 1.00 0.00 O ATOM 162 CB ILE A 10 -3.596 -3.243 1.944 1.00 0.00 C ATOM 163 CG1 ILE A 10 -3.675 -4.740 2.252 1.00 0.00 C ATOM 164 CG2 ILE A 10 -2.471 -2.556 2.720 1.00 0.00 C ATOM 165 CD1 ILE A 10 -2.488 -5.488 1.643 1.00 0.00 C ATOM 0 H ILE A 10 -5.607 -3.718 0.590 1.00 0.00 H new ATOM 0 HA ILE A 10 -5.236 -2.858 3.209 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.362 -3.145 0.884 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.691 -4.893 3.331 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -4.607 -5.147 1.859 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.527 -3.062 2.517 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.398 -1.514 2.409 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.685 -2.601 3.788 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.568 -6.550 1.877 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.489 -5.353 0.561 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -1.559 -5.095 2.056 1.00 0.00 H new ATOM 177 N ILE A 11 -4.634 -0.486 1.011 1.00 0.00 N ATOM 178 CA ILE A 11 -4.535 0.956 0.856 1.00 0.00 C ATOM 179 C ILE A 11 -5.918 1.581 1.049 1.00 0.00 C ATOM 180 O ILE A 11 -6.031 2.718 1.503 1.00 0.00 O ATOM 181 CB ILE A 11 -3.883 1.307 -0.483 1.00 0.00 C ATOM 182 CG1 ILE A 11 -2.590 0.516 -0.688 1.00 0.00 C ATOM 183 CG2 ILE A 11 -3.658 2.815 -0.604 1.00 0.00 C ATOM 184 CD1 ILE A 11 -1.742 0.512 0.586 1.00 0.00 C ATOM 0 H ILE A 11 -4.515 -1.017 0.148 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.884 1.378 1.622 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.566 1.018 -1.282 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.828 -0.509 -0.974 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -2.019 0.952 -1.508 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -3.194 3.038 -1.565 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.615 3.332 -0.535 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -3.005 3.151 0.201 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.829 -0.057 0.413 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.486 1.537 0.856 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.307 0.054 1.398 1.00 0.00 H new ATOM 196 N GLY A 12 -6.936 0.810 0.695 1.00 0.00 N ATOM 197 CA GLY A 12 -8.306 1.274 0.824 1.00 0.00 C ATOM 198 C GLY A 12 -8.673 1.499 2.292 1.00 0.00 C ATOM 199 O GLY A 12 -9.562 2.292 2.599 1.00 0.00 O ATOM 0 H GLY A 12 -6.839 -0.133 0.319 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -8.433 2.202 0.267 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -8.984 0.543 0.384 1.00 0.00 H new ATOM 203 N GLN A 13 -7.971 0.786 3.160 1.00 0.00 N ATOM 204 CA GLN A 13 -8.211 0.898 4.589 1.00 0.00 C ATOM 205 C GLN A 13 -7.029 1.586 5.274 1.00 0.00 C ATOM 206 O GLN A 13 -7.187 2.646 5.879 1.00 0.00 O ATOM 207 CB GLN A 13 -8.481 -0.474 5.209 1.00 0.00 C ATOM 208 CG GLN A 13 -9.896 -0.546 5.786 1.00 0.00 C ATOM 209 CD GLN A 13 -10.061 0.424 6.957 1.00 0.00 C ATOM 210 OE1 GLN A 13 -10.245 1.618 6.787 1.00 0.00 O ATOM 211 NE2 GLN A 13 -9.984 -0.154 8.153 1.00 0.00 N ATOM 0 H GLN A 13 -7.236 0.128 2.901 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.100 1.510 4.741 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.352 -1.250 4.454 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.753 -0.671 5.996 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.622 -0.309 5.008 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.105 -1.563 6.119 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -9.828 -1.160 8.224 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -10.081 0.408 8.998 1.00 0.00 H new ATOM 220 N GLN A 14 -5.869 0.956 5.157 1.00 0.00 N ATOM 221 CA GLN A 14 -4.661 1.494 5.757 1.00 0.00 C ATOM 222 C GLN A 14 -4.609 3.012 5.577 1.00 0.00 C ATOM 223 O GLN A 14 -4.891 3.762 6.511 1.00 0.00 O ATOM 224 CB GLN A 14 -3.414 0.829 5.170 1.00 0.00 C ATOM 225 CG GLN A 14 -3.325 -0.639 5.590 1.00 0.00 C ATOM 226 CD GLN A 14 -3.545 -0.792 7.097 1.00 0.00 C ATOM 227 OE1 GLN A 14 -2.621 -0.760 7.892 1.00 0.00 O ATOM 228 NE2 GLN A 14 -4.819 -0.960 7.443 1.00 0.00 N ATOM 0 H GLN A 14 -5.741 0.077 4.655 1.00 0.00 H new ATOM 0 HA GLN A 14 -4.681 1.275 6.825 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.438 0.899 4.083 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -2.523 1.361 5.504 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -4.071 -1.222 5.049 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -2.348 -1.040 5.319 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -5.544 -0.977 6.726 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -5.070 -1.072 8.425 1.00 0.00 H new ATOM 237 N LEU A 15 -4.247 3.421 4.370 1.00 0.00 N ATOM 238 CA LEU A 15 -4.155 4.837 4.055 1.00 0.00 C ATOM 239 C LEU A 15 -5.397 5.555 4.586 1.00 0.00 C ATOM 240 O LEU A 15 -5.286 6.523 5.337 1.00 0.00 O ATOM 241 CB LEU A 15 -3.922 5.039 2.557 1.00 0.00 C ATOM 242 CG LEU A 15 -2.683 4.355 1.973 1.00 0.00 C ATOM 243 CD1 LEU A 15 -2.175 5.104 0.739 1.00 0.00 C ATOM 244 CD2 LEU A 15 -1.594 4.194 3.035 1.00 0.00 C ATOM 0 H LEU A 15 -4.014 2.797 3.598 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.292 5.282 4.551 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.799 4.677 2.021 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.848 6.109 2.362 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.966 3.354 1.648 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.294 4.598 0.343 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.955 5.123 -0.022 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.913 6.125 1.016 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.725 3.705 2.594 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.306 5.175 3.412 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.974 3.586 3.856 1.00 0.00 H new ATOM 256 N GLY A 16 -6.552 5.052 4.176 1.00 0.00 N ATOM 257 CA GLY A 16 -7.814 5.633 4.601 1.00 0.00 C ATOM 258 C GLY A 16 -8.526 6.315 3.431 1.00 0.00 C ATOM 259 O GLY A 16 -8.469 7.535 3.290 1.00 0.00 O ATOM 0 H GLY A 16 -6.640 4.248 3.554 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -8.454 4.855 5.017 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.635 6.358 5.395 1.00 0.00 H new ATOM 263 N VAL A 17 -9.182 5.496 2.621 1.00 0.00 N ATOM 264 CA VAL A 17 -9.904 6.004 1.467 1.00 0.00 C ATOM 265 C VAL A 17 -11.079 5.075 1.157 1.00 0.00 C ATOM 266 O VAL A 17 -11.415 4.204 1.958 1.00 0.00 O ATOM 267 CB VAL A 17 -8.948 6.174 0.284 1.00 0.00 C ATOM 268 CG1 VAL A 17 -7.809 7.134 0.634 1.00 0.00 C ATOM 269 CG2 VAL A 17 -8.403 4.822 -0.179 1.00 0.00 C ATOM 0 H VAL A 17 -9.228 4.484 2.741 1.00 0.00 H new ATOM 0 HA VAL A 17 -10.316 6.991 1.679 1.00 0.00 H new ATOM 0 HB VAL A 17 -9.511 6.609 -0.542 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -7.144 7.237 -0.223 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -8.222 8.109 0.893 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -7.249 6.740 1.482 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.726 4.971 -1.020 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -7.864 4.347 0.641 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -9.230 4.183 -0.488 1.00 0.00 H new ATOM 279 N LYS A 18 -11.672 5.292 -0.008 1.00 0.00 N ATOM 280 CA LYS A 18 -12.803 4.485 -0.434 1.00 0.00 C ATOM 281 C LYS A 18 -12.290 3.204 -1.094 1.00 0.00 C ATOM 282 O LYS A 18 -11.083 2.974 -1.156 1.00 0.00 O ATOM 283 CB LYS A 18 -13.740 5.304 -1.325 1.00 0.00 C ATOM 284 CG LYS A 18 -14.553 6.300 -0.496 1.00 0.00 C ATOM 285 CD LYS A 18 -13.768 7.594 -0.269 1.00 0.00 C ATOM 286 CE LYS A 18 -14.699 8.733 0.153 1.00 0.00 C ATOM 287 NZ LYS A 18 -14.583 9.871 -0.786 1.00 0.00 N ATOM 0 H LYS A 18 -11.390 6.015 -0.670 1.00 0.00 H new ATOM 0 HA LYS A 18 -13.401 4.183 0.426 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.158 5.839 -2.075 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -14.414 4.636 -1.861 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -15.490 6.524 -1.006 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -14.811 5.854 0.464 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -13.011 7.435 0.499 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -13.242 7.869 -1.183 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -15.729 8.378 0.178 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -14.449 9.060 1.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -15.221 10.635 -0.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -13.603 10.219 -0.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -14.843 9.559 -1.743 1.00 0.00 H new ATOM 300 N GLN A 19 -13.232 2.404 -1.571 1.00 0.00 N ATOM 301 CA GLN A 19 -12.890 1.152 -2.224 1.00 0.00 C ATOM 302 C GLN A 19 -13.407 1.146 -3.664 1.00 0.00 C ATOM 303 O GLN A 19 -14.253 0.328 -4.021 1.00 0.00 O ATOM 304 CB GLN A 19 -13.438 -0.043 -1.441 1.00 0.00 C ATOM 305 CG GLN A 19 -14.929 0.133 -1.145 1.00 0.00 C ATOM 306 CD GLN A 19 -15.142 0.896 0.164 1.00 0.00 C ATOM 307 OE1 GLN A 19 -14.208 1.320 0.824 1.00 0.00 O ATOM 308 NE2 GLN A 19 -16.420 1.047 0.501 1.00 0.00 N ATOM 0 H GLN A 19 -14.232 2.598 -1.518 1.00 0.00 H new ATOM 0 HA GLN A 19 -11.804 1.062 -2.247 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -13.282 -0.959 -2.012 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -12.888 -0.153 -0.506 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -15.405 0.671 -1.965 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -15.409 -0.844 -1.083 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -17.154 0.667 -0.097 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -16.666 1.543 1.358 1.00 0.00 H new ATOM 317 N GLU A 20 -12.875 2.069 -4.453 1.00 0.00 N ATOM 318 CA GLU A 20 -13.272 2.181 -5.846 1.00 0.00 C ATOM 319 C GLU A 20 -12.450 3.265 -6.546 1.00 0.00 C ATOM 320 O GLU A 20 -11.904 3.036 -7.625 1.00 0.00 O ATOM 321 CB GLU A 20 -14.770 2.464 -5.969 1.00 0.00 C ATOM 322 CG GLU A 20 -15.174 3.664 -5.110 1.00 0.00 C ATOM 323 CD GLU A 20 -16.660 3.606 -4.752 1.00 0.00 C ATOM 324 OE1 GLU A 20 -17.479 4.282 -5.392 1.00 0.00 O ATOM 325 OE2 GLU A 20 -16.954 2.823 -3.769 1.00 0.00 O ATOM 0 H GLU A 20 -12.173 2.746 -4.154 1.00 0.00 H new ATOM 0 HA GLU A 20 -13.075 1.228 -6.337 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -15.023 2.657 -7.012 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -15.336 1.585 -5.661 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -14.577 3.681 -4.198 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -14.961 4.588 -5.647 1.00 0.00 H new ATOM 333 N GLU A 21 -12.388 4.423 -5.905 1.00 0.00 N ATOM 334 CA GLU A 21 -11.642 5.543 -6.452 1.00 0.00 C ATOM 335 C GLU A 21 -10.139 5.260 -6.393 1.00 0.00 C ATOM 336 O GLU A 21 -9.340 6.009 -6.952 1.00 0.00 O ATOM 337 CB GLU A 21 -11.985 6.841 -5.719 1.00 0.00 C ATOM 338 CG GLU A 21 -13.340 7.386 -6.174 1.00 0.00 C ATOM 339 CD GLU A 21 -13.164 8.506 -7.201 1.00 0.00 C ATOM 340 OE1 GLU A 21 -13.024 8.229 -8.402 1.00 0.00 O ATOM 341 OE2 GLU A 21 -13.178 9.700 -6.714 1.00 0.00 O ATOM 0 H GLU A 21 -12.843 4.610 -5.011 1.00 0.00 H new ATOM 0 HA GLU A 21 -11.927 5.668 -7.497 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -12.004 6.662 -4.644 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.209 7.584 -5.905 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -13.933 6.581 -6.607 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -13.893 7.761 -5.313 1.00 0.00 H new ATOM 349 N VAL A 22 -9.800 4.176 -5.710 1.00 0.00 N ATOM 350 CA VAL A 22 -8.408 3.785 -5.569 1.00 0.00 C ATOM 351 C VAL A 22 -7.906 3.217 -6.898 1.00 0.00 C ATOM 352 O VAL A 22 -8.597 2.428 -7.540 1.00 0.00 O ATOM 353 CB VAL A 22 -8.254 2.806 -4.404 1.00 0.00 C ATOM 354 CG1 VAL A 22 -7.004 1.940 -4.577 1.00 0.00 C ATOM 355 CG2 VAL A 22 -8.228 3.546 -3.066 1.00 0.00 C ATOM 0 H VAL A 22 -10.466 3.556 -5.248 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.790 4.651 -5.331 1.00 0.00 H new ATOM 0 HB VAL A 22 -9.121 2.146 -4.404 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.918 1.253 -3.735 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.081 1.371 -5.504 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.121 2.579 -4.616 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -8.118 2.827 -2.254 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.389 4.241 -3.051 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -9.159 4.098 -2.937 1.00 0.00 H new ATOM 365 N THR A 23 -6.707 3.641 -7.272 1.00 0.00 N ATOM 366 CA THR A 23 -6.105 3.184 -8.513 1.00 0.00 C ATOM 367 C THR A 23 -4.690 2.662 -8.258 1.00 0.00 C ATOM 368 O THR A 23 -4.254 2.573 -7.111 1.00 0.00 O ATOM 369 CB THR A 23 -6.156 4.338 -9.516 1.00 0.00 C ATOM 370 OG1 THR A 23 -5.346 5.350 -8.923 1.00 0.00 O ATOM 371 CG2 THR A 23 -7.544 4.976 -9.605 1.00 0.00 C ATOM 0 H THR A 23 -6.137 4.296 -6.737 1.00 0.00 H new ATOM 0 HA THR A 23 -6.656 2.344 -8.935 1.00 0.00 H new ATOM 0 HB THR A 23 -5.859 3.976 -10.500 1.00 0.00 H new ATOM 0 HG1 THR A 23 -5.912 5.963 -8.409 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.525 5.789 -10.331 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.270 4.226 -9.920 1.00 0.00 H new ATOM 0 HG23 THR A 23 -7.828 5.368 -8.628 1.00 0.00 H new ATOM 379 N ASN A 24 -4.010 2.332 -9.347 1.00 0.00 N ATOM 380 CA ASN A 24 -2.653 1.822 -9.256 1.00 0.00 C ATOM 381 C ASN A 24 -1.667 2.988 -9.349 1.00 0.00 C ATOM 382 O ASN A 24 -0.759 3.105 -8.527 1.00 0.00 O ATOM 383 CB ASN A 24 -2.351 0.854 -10.401 1.00 0.00 C ATOM 384 CG ASN A 24 -2.802 1.434 -11.743 1.00 0.00 C ATOM 385 OD1 ASN A 24 -3.978 1.632 -11.999 1.00 0.00 O ATOM 386 ND2 ASN A 24 -1.804 1.694 -12.583 1.00 0.00 N ATOM 0 H ASN A 24 -4.374 2.408 -10.297 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.552 1.298 -8.305 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -1.282 0.644 -10.432 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -2.857 -0.095 -10.223 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.002 2.083 -13.505 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -0.841 1.504 -12.305 1.00 0.00 H new ATOM 393 N ASN A 25 -1.878 3.820 -10.358 1.00 0.00 N ATOM 394 CA ASN A 25 -1.019 4.973 -10.569 1.00 0.00 C ATOM 395 C ASN A 25 -1.597 6.178 -9.823 1.00 0.00 C ATOM 396 O ASN A 25 -1.728 7.260 -10.393 1.00 0.00 O ATOM 397 CB ASN A 25 -0.935 5.332 -12.054 1.00 0.00 C ATOM 398 CG ASN A 25 0.086 4.450 -12.774 1.00 0.00 C ATOM 399 OD1 ASN A 25 1.117 4.082 -12.235 1.00 0.00 O ATOM 400 ND2 ASN A 25 -0.256 4.133 -14.020 1.00 0.00 N ATOM 0 H ASN A 25 -2.631 3.719 -11.038 1.00 0.00 H new ATOM 0 HA ASN A 25 -0.024 4.724 -10.201 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -1.915 5.212 -12.517 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.657 6.380 -12.163 1.00 0.00 H new ATOM 0 HD21 ASN A 25 0.360 3.548 -14.585 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -1.134 4.475 -14.410 1.00 0.00 H new ATOM 407 N ALA A 26 -1.927 5.949 -8.560 1.00 0.00 N ATOM 408 CA ALA A 26 -2.487 7.002 -7.731 1.00 0.00 C ATOM 409 C ALA A 26 -1.473 7.390 -6.652 1.00 0.00 C ATOM 410 O ALA A 26 -1.329 6.690 -5.651 1.00 0.00 O ATOM 411 CB ALA A 26 -3.817 6.533 -7.139 1.00 0.00 C ATOM 0 H ALA A 26 -1.817 5.050 -8.091 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.691 7.892 -8.327 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.237 7.323 -6.517 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -4.512 6.298 -7.946 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.651 5.643 -6.532 1.00 0.00 H new ATOM 417 N SER A 27 -0.797 8.503 -6.894 1.00 0.00 N ATOM 418 CA SER A 27 0.199 8.992 -5.956 1.00 0.00 C ATOM 419 C SER A 27 -0.489 9.622 -4.743 1.00 0.00 C ATOM 420 O SER A 27 -0.457 10.839 -4.569 1.00 0.00 O ATOM 421 CB SER A 27 1.133 10.005 -6.622 1.00 0.00 C ATOM 422 OG SER A 27 1.941 9.404 -7.629 1.00 0.00 O ATOM 0 H SER A 27 -0.919 9.080 -7.726 1.00 0.00 H new ATOM 0 HA SER A 27 0.801 8.146 -5.625 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.542 10.808 -7.063 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.774 10.459 -5.866 1.00 0.00 H new ATOM 0 HG SER A 27 2.522 10.083 -8.031 1.00 0.00 H new ATOM 428 N PHE A 28 -1.096 8.765 -3.935 1.00 0.00 N ATOM 429 CA PHE A 28 -1.791 9.222 -2.744 1.00 0.00 C ATOM 430 C PHE A 28 -1.095 10.442 -2.138 1.00 0.00 C ATOM 431 O PHE A 28 -1.741 11.446 -1.842 1.00 0.00 O ATOM 432 CB PHE A 28 -1.751 8.073 -1.734 1.00 0.00 C ATOM 433 CG PHE A 28 -2.969 7.150 -1.793 1.00 0.00 C ATOM 434 CD1 PHE A 28 -3.213 6.416 -2.912 1.00 0.00 C ATOM 435 CD2 PHE A 28 -3.809 7.064 -0.727 1.00 0.00 C ATOM 436 CE1 PHE A 28 -4.344 5.559 -2.967 1.00 0.00 C ATOM 437 CE2 PHE A 28 -4.940 6.207 -0.782 1.00 0.00 C ATOM 438 CZ PHE A 28 -5.184 5.473 -1.900 1.00 0.00 C ATOM 0 H PHE A 28 -1.121 7.756 -4.082 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.813 9.507 -2.996 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -0.852 7.482 -1.907 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -1.671 8.489 -0.729 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -2.546 6.485 -3.759 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -3.616 7.647 0.161 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -4.537 4.976 -3.855 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -5.607 6.138 0.065 1.00 0.00 H new ATOM 0 HZ PHE A 28 -6.045 4.822 -1.941 1.00 0.00 H new ATOM 448 N VAL A 29 0.214 10.316 -1.972 1.00 0.00 N ATOM 449 CA VAL A 29 1.004 11.396 -1.406 1.00 0.00 C ATOM 450 C VAL A 29 0.439 12.737 -1.877 1.00 0.00 C ATOM 451 O VAL A 29 -0.066 13.519 -1.073 1.00 0.00 O ATOM 452 CB VAL A 29 2.479 11.209 -1.768 1.00 0.00 C ATOM 453 CG1 VAL A 29 3.250 10.568 -0.612 1.00 0.00 C ATOM 454 CG2 VAL A 29 2.630 10.388 -3.049 1.00 0.00 C ATOM 0 H VAL A 29 0.747 9.482 -2.220 1.00 0.00 H new ATOM 0 HA VAL A 29 0.945 11.383 -0.318 1.00 0.00 H new ATOM 0 HB VAL A 29 2.906 12.195 -1.950 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.295 10.446 -0.895 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.185 11.208 0.268 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.820 9.593 -0.384 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.688 10.270 -3.283 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.178 9.406 -2.907 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.131 10.901 -3.871 1.00 0.00 H new ATOM 464 N GLU A 30 0.541 12.962 -3.179 1.00 0.00 N ATOM 465 CA GLU A 30 0.046 14.195 -3.767 1.00 0.00 C ATOM 466 C GLU A 30 -1.424 14.041 -4.162 1.00 0.00 C ATOM 467 O GLU A 30 -2.283 14.769 -3.667 1.00 0.00 O ATOM 468 CB GLU A 30 0.896 14.610 -4.969 1.00 0.00 C ATOM 469 CG GLU A 30 0.446 15.965 -5.518 1.00 0.00 C ATOM 470 CD GLU A 30 -0.581 15.789 -6.638 1.00 0.00 C ATOM 471 OE1 GLU A 30 -1.793 15.841 -6.381 1.00 0.00 O ATOM 472 OE2 GLU A 30 -0.081 15.592 -7.810 1.00 0.00 O ATOM 0 H GLU A 30 0.959 12.311 -3.843 1.00 0.00 H new ATOM 0 HA GLU A 30 0.121 14.986 -3.021 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.945 14.662 -4.676 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.821 13.854 -5.750 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.014 16.562 -4.714 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.309 16.514 -5.894 1.00 0.00 H new ATOM 480 N ASP A 31 -1.669 13.090 -5.051 1.00 0.00 N ATOM 481 CA ASP A 31 -3.020 12.831 -5.519 1.00 0.00 C ATOM 482 C ASP A 31 -3.996 12.978 -4.350 1.00 0.00 C ATOM 483 O ASP A 31 -4.908 13.802 -4.398 1.00 0.00 O ATOM 484 CB ASP A 31 -3.150 11.409 -6.068 1.00 0.00 C ATOM 485 CG ASP A 31 -3.001 11.287 -7.586 1.00 0.00 C ATOM 486 OD1 ASP A 31 -3.631 10.428 -8.222 1.00 0.00 O ATOM 487 OD2 ASP A 31 -2.188 12.131 -8.124 1.00 0.00 O ATOM 0 H ASP A 31 -0.954 12.489 -5.460 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.245 13.545 -6.311 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.396 10.781 -5.592 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.123 11.012 -5.780 1.00 0.00 H new ATOM 493 N LEU A 32 -3.771 12.165 -3.327 1.00 0.00 N ATOM 494 CA LEU A 32 -4.620 12.194 -2.148 1.00 0.00 C ATOM 495 C LEU A 32 -3.895 12.934 -1.022 1.00 0.00 C ATOM 496 O LEU A 32 -3.779 14.158 -1.052 1.00 0.00 O ATOM 497 CB LEU A 32 -5.061 10.779 -1.771 1.00 0.00 C ATOM 498 CG LEU A 32 -6.102 10.133 -2.688 1.00 0.00 C ATOM 499 CD1 LEU A 32 -5.506 8.942 -3.440 1.00 0.00 C ATOM 500 CD2 LEU A 32 -7.358 9.746 -1.905 1.00 0.00 C ATOM 0 H LEU A 32 -3.013 11.483 -3.291 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.538 12.745 -2.352 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.179 10.139 -1.748 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.463 10.803 -0.758 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.402 10.868 -3.435 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.267 8.501 -4.084 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.666 9.279 -4.048 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.160 8.196 -2.724 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.081 9.289 -2.580 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.094 9.036 -1.122 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -7.795 10.637 -1.454 1.00 0.00 H new ATOM 512 N GLY A 33 -3.427 12.159 -0.054 1.00 0.00 N ATOM 513 CA GLY A 33 -2.717 12.726 1.080 1.00 0.00 C ATOM 514 C GLY A 33 -2.471 11.667 2.157 1.00 0.00 C ATOM 515 O GLY A 33 -3.339 11.411 2.990 1.00 0.00 O ATOM 0 H GLY A 33 -3.526 11.144 -0.032 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -1.765 13.140 0.748 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.294 13.550 1.500 1.00 0.00 H new ATOM 519 N ALA A 34 -1.284 11.081 2.106 1.00 0.00 N ATOM 520 CA ALA A 34 -0.913 10.056 3.067 1.00 0.00 C ATOM 521 C ALA A 34 -0.434 10.723 4.358 1.00 0.00 C ATOM 522 O ALA A 34 0.641 10.404 4.863 1.00 0.00 O ATOM 523 CB ALA A 34 0.149 9.141 2.454 1.00 0.00 C ATOM 0 H ALA A 34 -0.566 11.296 1.414 1.00 0.00 H new ATOM 0 HA ALA A 34 -1.773 9.435 3.317 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.427 8.372 3.175 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.251 8.669 1.557 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.029 9.729 2.193 1.00 0.00 H new ATOM 529 N ASP A 35 -1.255 11.637 4.854 1.00 0.00 N ATOM 530 CA ASP A 35 -0.928 12.352 6.077 1.00 0.00 C ATOM 531 C ASP A 35 -1.718 11.750 7.241 1.00 0.00 C ATOM 532 O ASP A 35 -2.277 12.480 8.058 1.00 0.00 O ATOM 533 CB ASP A 35 -1.301 13.831 5.966 1.00 0.00 C ATOM 534 CG ASP A 35 -0.230 14.723 5.336 1.00 0.00 C ATOM 535 OD1 ASP A 35 -0.234 14.964 4.119 1.00 0.00 O ATOM 536 OD2 ASP A 35 0.649 15.185 6.160 1.00 0.00 O ATOM 0 H ASP A 35 -2.146 11.899 4.432 1.00 0.00 H new ATOM 0 HA ASP A 35 0.145 12.263 6.244 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.215 13.916 5.378 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -1.527 14.209 6.963 1.00 0.00 H new ATOM 542 N SER A 36 -1.739 10.426 7.278 1.00 0.00 N ATOM 543 CA SER A 36 -2.452 9.719 8.329 1.00 0.00 C ATOM 544 C SER A 36 -2.425 8.213 8.056 1.00 0.00 C ATOM 545 O SER A 36 -2.846 7.764 6.991 1.00 0.00 O ATOM 546 CB SER A 36 -3.895 10.212 8.444 1.00 0.00 C ATOM 547 OG SER A 36 -4.158 10.802 9.714 1.00 0.00 O ATOM 0 H SER A 36 -1.274 9.824 6.598 1.00 0.00 H new ATOM 0 HA SER A 36 -1.952 9.920 9.277 1.00 0.00 H new ATOM 0 HB2 SER A 36 -4.093 10.941 7.658 1.00 0.00 H new ATOM 0 HB3 SER A 36 -4.577 9.377 8.284 1.00 0.00 H new ATOM 0 HG SER A 36 -3.665 11.645 9.791 1.00 0.00 H new ATOM 553 N LEU A 37 -1.927 7.475 9.037 1.00 0.00 N ATOM 554 CA LEU A 37 -1.840 6.030 8.917 1.00 0.00 C ATOM 555 C LEU A 37 -1.453 5.664 7.483 1.00 0.00 C ATOM 556 O LEU A 37 -2.020 4.742 6.899 1.00 0.00 O ATOM 557 CB LEU A 37 -3.139 5.374 9.390 1.00 0.00 C ATOM 558 CG LEU A 37 -4.432 6.106 9.024 1.00 0.00 C ATOM 559 CD1 LEU A 37 -5.604 5.129 8.920 1.00 0.00 C ATOM 560 CD2 LEU A 37 -4.716 7.241 10.009 1.00 0.00 C ATOM 0 H LEU A 37 -1.579 7.851 9.919 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.058 5.640 9.568 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.186 4.367 8.976 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.097 5.272 10.474 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.303 6.558 8.041 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.511 5.675 8.659 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.392 4.387 8.150 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.746 4.627 9.877 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.640 7.745 9.727 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.818 6.833 11.015 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.893 7.955 9.989 1.00 0.00 H new ATOM 572 N ASP A 38 -0.490 6.407 6.956 1.00 0.00 N ATOM 573 CA ASP A 38 -0.021 6.172 5.601 1.00 0.00 C ATOM 574 C ASP A 38 0.820 4.894 5.571 1.00 0.00 C ATOM 575 O ASP A 38 0.298 3.809 5.321 1.00 0.00 O ATOM 576 CB ASP A 38 0.857 7.327 5.114 1.00 0.00 C ATOM 577 CG ASP A 38 1.793 6.984 3.954 1.00 0.00 C ATOM 578 OD1 ASP A 38 2.860 7.594 3.792 1.00 0.00 O ATOM 579 OD2 ASP A 38 1.382 6.033 3.185 1.00 0.00 O ATOM 0 H ASP A 38 -0.022 7.172 7.443 1.00 0.00 H new ATOM 0 HA ASP A 38 -0.893 6.083 4.953 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.211 8.150 4.809 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.456 7.685 5.951 1.00 0.00 H new ATOM 585 N THR A 39 2.108 5.066 5.829 1.00 0.00 N ATOM 586 CA THR A 39 3.027 3.940 5.835 1.00 0.00 C ATOM 587 C THR A 39 2.780 3.056 7.060 1.00 0.00 C ATOM 588 O THR A 39 2.571 1.851 6.928 1.00 0.00 O ATOM 589 CB THR A 39 4.452 4.491 5.762 1.00 0.00 C ATOM 590 OG1 THR A 39 5.276 3.329 5.791 1.00 0.00 O ATOM 591 CG2 THR A 39 4.848 5.261 7.024 1.00 0.00 C ATOM 0 H THR A 39 2.537 5.968 6.035 1.00 0.00 H new ATOM 0 HA THR A 39 2.868 3.296 4.970 1.00 0.00 H new ATOM 0 HB THR A 39 4.544 5.145 4.895 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.183 3.578 6.064 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.868 5.630 6.920 1.00 0.00 H new ATOM 0 HG22 THR A 39 4.170 6.103 7.164 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.788 4.599 7.888 1.00 0.00 H new ATOM 599 N VAL A 40 2.811 3.690 8.223 1.00 0.00 N ATOM 600 CA VAL A 40 2.593 2.977 9.470 1.00 0.00 C ATOM 601 C VAL A 40 1.589 1.847 9.237 1.00 0.00 C ATOM 602 O VAL A 40 1.934 0.671 9.348 1.00 0.00 O ATOM 603 CB VAL A 40 2.151 3.954 10.561 1.00 0.00 C ATOM 604 CG1 VAL A 40 1.928 3.228 11.889 1.00 0.00 C ATOM 605 CG2 VAL A 40 3.162 5.091 10.721 1.00 0.00 C ATOM 0 H VAL A 40 2.984 4.690 8.328 1.00 0.00 H new ATOM 0 HA VAL A 40 3.521 2.522 9.817 1.00 0.00 H new ATOM 0 HB VAL A 40 1.201 4.391 10.254 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.614 3.945 12.648 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.154 2.470 11.764 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.856 2.750 12.203 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.824 5.771 11.503 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.133 4.678 10.994 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.250 5.635 9.780 1.00 0.00 H new ATOM 615 N GLU A 41 0.365 2.242 8.919 1.00 0.00 N ATOM 616 CA GLU A 41 -0.692 1.277 8.669 1.00 0.00 C ATOM 617 C GLU A 41 -0.320 0.375 7.491 1.00 0.00 C ATOM 618 O GLU A 41 -0.239 -0.844 7.639 1.00 0.00 O ATOM 619 CB GLU A 41 -2.029 1.979 8.422 1.00 0.00 C ATOM 620 CG GLU A 41 -2.990 1.758 9.592 1.00 0.00 C ATOM 621 CD GLU A 41 -2.486 2.461 10.855 1.00 0.00 C ATOM 622 OE1 GLU A 41 -1.714 3.426 10.761 1.00 0.00 O ATOM 623 OE2 GLU A 41 -2.926 1.970 11.963 1.00 0.00 O ATOM 0 H GLU A 41 0.082 3.218 8.829 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.805 0.654 9.556 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.862 3.047 8.281 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.477 1.602 7.503 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.979 2.135 9.331 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.096 0.690 9.783 1.00 0.00 H new ATOM 631 N LEU A 42 -0.104 1.008 6.347 1.00 0.00 N ATOM 632 CA LEU A 42 0.257 0.277 5.144 1.00 0.00 C ATOM 633 C LEU A 42 1.205 -0.866 5.512 1.00 0.00 C ATOM 634 O LEU A 42 1.011 -2.001 5.081 1.00 0.00 O ATOM 635 CB LEU A 42 0.823 1.230 4.089 1.00 0.00 C ATOM 636 CG LEU A 42 1.409 0.573 2.838 1.00 0.00 C ATOM 637 CD1 LEU A 42 1.502 1.575 1.685 1.00 0.00 C ATOM 638 CD2 LEU A 42 2.759 -0.079 3.142 1.00 0.00 C ATOM 0 H LEU A 42 -0.172 2.019 6.228 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.626 -0.174 4.692 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.030 1.911 3.780 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.600 1.836 4.555 1.00 0.00 H new ATOM 0 HG LEU A 42 0.733 -0.221 2.521 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.922 1.082 0.808 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.507 1.951 1.448 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.144 2.406 1.976 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.153 -0.539 2.236 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.457 0.679 3.498 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.630 -0.842 3.909 1.00 0.00 H new ATOM 650 N VAL A 43 2.210 -0.526 6.306 1.00 0.00 N ATOM 651 CA VAL A 43 3.188 -1.510 6.737 1.00 0.00 C ATOM 652 C VAL A 43 2.462 -2.763 7.230 1.00 0.00 C ATOM 653 O VAL A 43 2.436 -3.782 6.541 1.00 0.00 O ATOM 654 CB VAL A 43 4.113 -0.901 7.793 1.00 0.00 C ATOM 655 CG1 VAL A 43 5.236 -1.872 8.165 1.00 0.00 C ATOM 656 CG2 VAL A 43 4.682 0.438 7.317 1.00 0.00 C ATOM 0 H VAL A 43 2.368 0.417 6.662 1.00 0.00 H new ATOM 0 HA VAL A 43 3.822 -1.809 5.902 1.00 0.00 H new ATOM 0 HB VAL A 43 3.521 -0.715 8.689 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.879 -1.414 8.917 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.806 -2.790 8.566 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.825 -2.105 7.278 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.336 0.849 8.086 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.251 0.286 6.400 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.865 1.133 7.126 1.00 0.00 H new ATOM 666 N MET A 44 1.890 -2.647 8.420 1.00 0.00 N ATOM 667 CA MET A 44 1.165 -3.758 9.013 1.00 0.00 C ATOM 668 C MET A 44 0.420 -4.560 7.945 1.00 0.00 C ATOM 669 O MET A 44 0.636 -5.762 7.802 1.00 0.00 O ATOM 670 CB MET A 44 0.166 -3.224 10.042 1.00 0.00 C ATOM 671 CG MET A 44 0.889 -2.576 11.224 1.00 0.00 C ATOM 672 SD MET A 44 1.892 -3.789 12.065 1.00 0.00 S ATOM 673 CE MET A 44 3.463 -2.941 12.074 1.00 0.00 C ATOM 0 H MET A 44 1.914 -1.801 8.989 1.00 0.00 H new ATOM 0 HA MET A 44 1.883 -4.418 9.499 1.00 0.00 H new ATOM 0 HB2 MET A 44 -0.493 -2.495 9.570 1.00 0.00 H new ATOM 0 HB3 MET A 44 -0.464 -4.039 10.399 1.00 0.00 H new ATOM 0 HG2 MET A 44 1.514 -1.755 10.873 1.00 0.00 H new ATOM 0 HG3 MET A 44 0.163 -2.150 11.916 1.00 0.00 H new ATOM 0 HE1 MET A 44 4.210 -3.564 12.567 1.00 0.00 H new ATOM 0 HE2 MET A 44 3.775 -2.743 11.049 1.00 0.00 H new ATOM 0 HE3 MET A 44 3.365 -1.998 12.612 1.00 0.00 H new ATOM 683 N ALA A 45 -0.444 -3.861 7.222 1.00 0.00 N ATOM 684 CA ALA A 45 -1.223 -4.493 6.170 1.00 0.00 C ATOM 685 C ALA A 45 -0.277 -5.190 5.189 1.00 0.00 C ATOM 686 O ALA A 45 -0.176 -6.416 5.184 1.00 0.00 O ATOM 687 CB ALA A 45 -2.103 -3.445 5.487 1.00 0.00 C ATOM 0 H ALA A 45 -0.621 -2.864 7.344 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.885 -5.253 6.586 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -2.687 -3.919 4.698 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.776 -3.001 6.220 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.474 -2.667 5.055 1.00 0.00 H new ATOM 693 N LEU A 46 0.391 -4.378 4.383 1.00 0.00 N ATOM 694 CA LEU A 46 1.325 -4.901 3.401 1.00 0.00 C ATOM 695 C LEU A 46 2.198 -5.974 4.054 1.00 0.00 C ATOM 696 O LEU A 46 2.700 -6.868 3.375 1.00 0.00 O ATOM 697 CB LEU A 46 2.124 -3.763 2.762 1.00 0.00 C ATOM 698 CG LEU A 46 1.343 -2.837 1.828 1.00 0.00 C ATOM 699 CD1 LEU A 46 2.286 -1.907 1.062 1.00 0.00 C ATOM 700 CD2 LEU A 46 0.441 -3.639 0.888 1.00 0.00 C ATOM 0 H LEU A 46 0.304 -3.362 4.390 1.00 0.00 H new ATOM 0 HA LEU A 46 0.788 -5.381 2.583 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.560 -3.160 3.558 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.952 -4.197 2.202 1.00 0.00 H new ATOM 0 HG LEU A 46 0.694 -2.207 2.437 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.705 -1.260 0.405 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.848 -1.296 1.769 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.978 -2.501 0.465 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.103 -2.956 0.235 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.051 -4.311 0.284 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.269 -4.222 1.475 1.00 0.00 H new ATOM 712 N GLU A 47 2.351 -5.851 5.364 1.00 0.00 N ATOM 713 CA GLU A 47 3.155 -6.799 6.116 1.00 0.00 C ATOM 714 C GLU A 47 2.413 -8.130 6.255 1.00 0.00 C ATOM 715 O GLU A 47 2.936 -9.178 5.879 1.00 0.00 O ATOM 716 CB GLU A 47 3.529 -6.234 7.488 1.00 0.00 C ATOM 717 CG GLU A 47 4.895 -5.545 7.443 1.00 0.00 C ATOM 718 CD GLU A 47 5.970 -6.416 8.095 1.00 0.00 C ATOM 719 OE1 GLU A 47 6.409 -7.411 7.499 1.00 0.00 O ATOM 720 OE2 GLU A 47 6.350 -6.028 9.265 1.00 0.00 O ATOM 0 H GLU A 47 1.932 -5.109 5.924 1.00 0.00 H new ATOM 0 HA GLU A 47 4.081 -6.976 5.568 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.769 -5.523 7.812 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.547 -7.038 8.224 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.168 -5.338 6.408 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.839 -4.585 7.956 1.00 0.00 H new ATOM 728 N GLU A 48 1.207 -8.045 6.797 1.00 0.00 N ATOM 729 CA GLU A 48 0.389 -9.230 6.990 1.00 0.00 C ATOM 730 C GLU A 48 0.308 -10.037 5.693 1.00 0.00 C ATOM 731 O GLU A 48 0.216 -11.263 5.725 1.00 0.00 O ATOM 732 CB GLU A 48 -1.008 -8.856 7.490 1.00 0.00 C ATOM 733 CG GLU A 48 -1.258 -9.419 8.890 1.00 0.00 C ATOM 734 CD GLU A 48 -2.178 -10.640 8.834 1.00 0.00 C ATOM 735 OE1 GLU A 48 -3.163 -10.640 8.080 1.00 0.00 O ATOM 736 OE2 GLU A 48 -1.839 -11.614 9.609 1.00 0.00 O ATOM 0 H GLU A 48 0.777 -7.174 7.108 1.00 0.00 H new ATOM 0 HA GLU A 48 0.859 -9.851 7.753 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.114 -7.771 7.506 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.760 -9.240 6.800 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.309 -9.695 9.350 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.706 -8.651 9.520 1.00 0.00 H new ATOM 744 N GLU A 49 0.346 -9.317 4.582 1.00 0.00 N ATOM 745 CA GLU A 49 0.279 -9.951 3.276 1.00 0.00 C ATOM 746 C GLU A 49 1.192 -11.178 3.234 1.00 0.00 C ATOM 747 O GLU A 49 0.717 -12.311 3.288 1.00 0.00 O ATOM 748 CB GLU A 49 0.640 -8.961 2.167 1.00 0.00 C ATOM 749 CG GLU A 49 -0.291 -9.122 0.964 1.00 0.00 C ATOM 750 CD GLU A 49 -0.129 -10.503 0.325 1.00 0.00 C ATOM 751 OE1 GLU A 49 -0.313 -11.525 1.003 1.00 0.00 O ATOM 752 OE2 GLU A 49 0.200 -10.492 -0.922 1.00 0.00 O ATOM 0 H GLU A 49 0.422 -8.300 4.559 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.746 -10.279 3.105 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.574 -7.942 2.549 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.673 -9.119 1.856 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.325 -8.982 1.279 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.075 -8.349 0.227 1.00 0.00 H new ATOM 760 N PHE A 50 2.486 -10.911 3.139 1.00 0.00 N ATOM 761 CA PHE A 50 3.469 -11.979 3.089 1.00 0.00 C ATOM 762 C PHE A 50 4.651 -11.680 4.014 1.00 0.00 C ATOM 763 O PHE A 50 5.790 -12.024 3.703 1.00 0.00 O ATOM 764 CB PHE A 50 3.973 -12.057 1.647 1.00 0.00 C ATOM 765 CG PHE A 50 3.059 -12.848 0.710 1.00 0.00 C ATOM 766 CD1 PHE A 50 2.693 -14.119 1.030 1.00 0.00 C ATOM 767 CD2 PHE A 50 2.612 -12.282 -0.443 1.00 0.00 C ATOM 768 CE1 PHE A 50 1.844 -14.853 0.160 1.00 0.00 C ATOM 769 CE2 PHE A 50 1.763 -13.016 -1.312 1.00 0.00 C ATOM 770 CZ PHE A 50 1.397 -14.287 -0.992 1.00 0.00 C ATOM 0 H PHE A 50 2.877 -9.970 3.095 1.00 0.00 H new ATOM 0 HA PHE A 50 3.016 -12.916 3.413 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.087 -11.045 1.258 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.963 -12.514 1.643 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.048 -14.569 1.945 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.903 -11.274 -0.698 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.553 -15.862 0.414 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.408 -12.566 -2.227 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.751 -14.846 -1.653 1.00 0.00 H new ATOM 780 N ASP A 51 4.339 -11.043 5.133 1.00 0.00 N ATOM 781 CA ASP A 51 5.360 -10.693 6.105 1.00 0.00 C ATOM 782 C ASP A 51 6.494 -9.945 5.401 1.00 0.00 C ATOM 783 O ASP A 51 7.479 -10.553 4.985 1.00 0.00 O ATOM 784 CB ASP A 51 5.953 -11.945 6.756 1.00 0.00 C ATOM 785 CG ASP A 51 6.937 -11.678 7.896 1.00 0.00 C ATOM 786 OD1 ASP A 51 6.687 -10.836 8.771 1.00 0.00 O ATOM 787 OD2 ASP A 51 8.015 -12.386 7.863 1.00 0.00 O ATOM 0 H ASP A 51 3.393 -10.760 5.388 1.00 0.00 H new ATOM 0 HA ASP A 51 4.896 -10.072 6.872 1.00 0.00 H new ATOM 0 HB2 ASP A 51 5.137 -12.559 7.137 1.00 0.00 H new ATOM 0 HB3 ASP A 51 6.460 -12.530 5.988 1.00 0.00 H new ATOM 793 N THR A 52 6.317 -8.637 5.290 1.00 0.00 N ATOM 794 CA THR A 52 7.313 -7.799 4.644 1.00 0.00 C ATOM 795 C THR A 52 7.205 -6.358 5.147 1.00 0.00 C ATOM 796 O THR A 52 6.417 -5.571 4.625 1.00 0.00 O ATOM 797 CB THR A 52 7.129 -7.929 3.130 1.00 0.00 C ATOM 798 OG1 THR A 52 8.252 -8.700 2.710 1.00 0.00 O ATOM 799 CG2 THR A 52 7.301 -6.594 2.403 1.00 0.00 C ATOM 0 H THR A 52 5.499 -8.137 5.637 1.00 0.00 H new ATOM 0 HA THR A 52 8.324 -8.122 4.893 1.00 0.00 H new ATOM 0 HB THR A 52 6.139 -8.333 2.917 1.00 0.00 H new ATOM 0 HG1 THR A 52 8.810 -8.164 2.108 1.00 0.00 H new ATOM 0 HG21 THR A 52 7.160 -6.742 1.332 1.00 0.00 H new ATOM 0 HG22 THR A 52 6.563 -5.882 2.771 1.00 0.00 H new ATOM 0 HG23 THR A 52 8.303 -6.206 2.587 1.00 0.00 H new ATOM 807 N GLU A 53 8.010 -6.056 6.156 1.00 0.00 N ATOM 808 CA GLU A 53 8.015 -4.724 6.736 1.00 0.00 C ATOM 809 C GLU A 53 8.443 -3.692 5.690 1.00 0.00 C ATOM 810 O GLU A 53 9.245 -3.992 4.808 1.00 0.00 O ATOM 811 CB GLU A 53 8.922 -4.665 7.967 1.00 0.00 C ATOM 812 CG GLU A 53 10.246 -5.387 7.707 1.00 0.00 C ATOM 813 CD GLU A 53 10.309 -6.710 8.472 1.00 0.00 C ATOM 814 OE1 GLU A 53 10.436 -6.708 9.705 1.00 0.00 O ATOM 815 OE2 GLU A 53 10.221 -7.768 7.739 1.00 0.00 O ATOM 0 H GLU A 53 8.663 -6.711 6.586 1.00 0.00 H new ATOM 0 HA GLU A 53 7.002 -4.486 7.060 1.00 0.00 H new ATOM 0 HB2 GLU A 53 9.116 -3.625 8.231 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.416 -5.121 8.818 1.00 0.00 H new ATOM 0 HG2 GLU A 53 10.358 -5.575 6.639 1.00 0.00 H new ATOM 0 HG3 GLU A 53 11.077 -4.749 8.008 1.00 0.00 H new ATOM 823 N ILE A 54 7.887 -2.496 5.824 1.00 0.00 N ATOM 824 CA ILE A 54 8.201 -1.418 4.902 1.00 0.00 C ATOM 825 C ILE A 54 8.502 -0.145 5.696 1.00 0.00 C ATOM 826 O ILE A 54 7.588 0.583 6.079 1.00 0.00 O ATOM 827 CB ILE A 54 7.081 -1.250 3.873 1.00 0.00 C ATOM 828 CG1 ILE A 54 7.213 0.082 3.132 1.00 0.00 C ATOM 829 CG2 ILE A 54 5.707 -1.408 4.528 1.00 0.00 C ATOM 830 CD1 ILE A 54 8.678 0.394 2.822 1.00 0.00 C ATOM 0 H ILE A 54 7.221 -2.250 6.557 1.00 0.00 H new ATOM 0 HA ILE A 54 9.097 -1.656 4.328 1.00 0.00 H new ATOM 0 HB ILE A 54 7.177 -2.042 3.131 1.00 0.00 H new ATOM 0 HG12 ILE A 54 6.641 0.045 2.205 1.00 0.00 H new ATOM 0 HG13 ILE A 54 6.787 0.883 3.737 1.00 0.00 H new ATOM 0 HG21 ILE A 54 4.929 -1.284 3.775 1.00 0.00 H new ATOM 0 HG22 ILE A 54 5.628 -2.400 4.972 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.585 -0.652 5.304 1.00 0.00 H new ATOM 0 HD11 ILE A 54 8.744 1.346 2.295 1.00 0.00 H new ATOM 0 HD12 ILE A 54 9.242 0.455 3.753 1.00 0.00 H new ATOM 0 HD13 ILE A 54 9.094 -0.396 2.197 1.00 0.00 H new ATOM 842 N PRO A 55 9.822 0.089 5.926 1.00 0.00 N ATOM 843 CA PRO A 55 10.256 1.261 6.668 1.00 0.00 C ATOM 844 C PRO A 55 10.145 2.524 5.811 1.00 0.00 C ATOM 845 O PRO A 55 10.353 2.477 4.599 1.00 0.00 O ATOM 846 CB PRO A 55 11.683 0.954 7.090 1.00 0.00 C ATOM 847 CG PRO A 55 12.154 -0.170 6.182 1.00 0.00 C ATOM 848 CD PRO A 55 10.932 -0.752 5.488 1.00 0.00 C ATOM 0 HA PRO A 55 9.632 1.462 7.539 1.00 0.00 H new ATOM 0 HB2 PRO A 55 12.319 1.833 6.985 1.00 0.00 H new ATOM 0 HB3 PRO A 55 11.725 0.654 8.137 1.00 0.00 H new ATOM 0 HG2 PRO A 55 12.867 0.206 5.448 1.00 0.00 H new ATOM 0 HG3 PRO A 55 12.667 -0.939 6.760 1.00 0.00 H new ATOM 0 HD2 PRO A 55 11.043 -0.728 4.404 1.00 0.00 H new ATOM 0 HD3 PRO A 55 10.775 -1.793 5.769 1.00 0.00 H new ATOM 856 N ASP A 56 9.818 3.624 6.474 1.00 0.00 N ATOM 857 CA ASP A 56 9.677 4.897 5.788 1.00 0.00 C ATOM 858 C ASP A 56 10.760 5.015 4.714 1.00 0.00 C ATOM 859 O ASP A 56 10.459 5.274 3.549 1.00 0.00 O ATOM 860 CB ASP A 56 9.845 6.067 6.759 1.00 0.00 C ATOM 861 CG ASP A 56 11.133 6.043 7.584 1.00 0.00 C ATOM 862 OD1 ASP A 56 11.648 4.970 7.933 1.00 0.00 O ATOM 863 OD2 ASP A 56 11.617 7.203 7.873 1.00 0.00 O ATOM 0 H ASP A 56 9.647 3.660 7.479 1.00 0.00 H new ATOM 0 HA ASP A 56 8.681 4.934 5.347 1.00 0.00 H new ATOM 0 HB2 ASP A 56 9.812 6.997 6.192 1.00 0.00 H new ATOM 0 HB3 ASP A 56 8.995 6.079 7.441 1.00 0.00 H new ATOM 869 N GLU A 57 11.998 4.819 5.142 1.00 0.00 N ATOM 870 CA GLU A 57 13.127 4.901 4.232 1.00 0.00 C ATOM 871 C GLU A 57 12.758 4.302 2.873 1.00 0.00 C ATOM 872 O GLU A 57 13.101 4.858 1.831 1.00 0.00 O ATOM 873 CB GLU A 57 14.357 4.207 4.820 1.00 0.00 C ATOM 874 CG GLU A 57 15.551 4.306 3.868 1.00 0.00 C ATOM 875 CD GLU A 57 16.164 5.708 3.901 1.00 0.00 C ATOM 876 OE1 GLU A 57 15.454 6.689 4.166 1.00 0.00 O ATOM 877 OE2 GLU A 57 17.427 5.757 3.641 1.00 0.00 O ATOM 0 H GLU A 57 12.244 4.603 6.108 1.00 0.00 H new ATOM 0 HA GLU A 57 13.377 5.952 4.089 1.00 0.00 H new ATOM 0 HB2 GLU A 57 14.612 4.661 5.777 1.00 0.00 H new ATOM 0 HB3 GLU A 57 14.129 3.159 5.015 1.00 0.00 H new ATOM 0 HG2 GLU A 57 16.304 3.569 4.146 1.00 0.00 H new ATOM 0 HG3 GLU A 57 15.232 4.068 2.853 1.00 0.00 H new ATOM 885 N GLU A 58 12.062 3.175 2.928 1.00 0.00 N ATOM 886 CA GLU A 58 11.642 2.495 1.715 1.00 0.00 C ATOM 887 C GLU A 58 10.186 2.836 1.392 1.00 0.00 C ATOM 888 O GLU A 58 9.758 2.723 0.244 1.00 0.00 O ATOM 889 CB GLU A 58 11.836 0.982 1.840 1.00 0.00 C ATOM 890 CG GLU A 58 12.758 0.456 0.738 1.00 0.00 C ATOM 891 CD GLU A 58 12.327 -0.940 0.282 1.00 0.00 C ATOM 892 OE1 GLU A 58 12.395 -1.897 1.068 1.00 0.00 O ATOM 893 OE2 GLU A 58 11.907 -1.010 -0.935 1.00 0.00 O ATOM 0 H GLU A 58 11.779 2.716 3.794 1.00 0.00 H new ATOM 0 HA GLU A 58 12.267 2.842 0.892 1.00 0.00 H new ATOM 0 HB2 GLU A 58 12.258 0.745 2.817 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.870 0.481 1.781 1.00 0.00 H new ATOM 0 HG2 GLU A 58 12.744 1.140 -0.110 1.00 0.00 H new ATOM 0 HG3 GLU A 58 13.785 0.422 1.103 1.00 0.00 H new ATOM 901 N ALA A 59 9.464 3.246 2.425 1.00 0.00 N ATOM 902 CA ALA A 59 8.065 3.604 2.266 1.00 0.00 C ATOM 903 C ALA A 59 7.961 4.868 1.410 1.00 0.00 C ATOM 904 O ALA A 59 6.950 5.091 0.746 1.00 0.00 O ATOM 905 CB ALA A 59 7.423 3.778 3.643 1.00 0.00 C ATOM 0 H ALA A 59 9.822 3.338 3.376 1.00 0.00 H new ATOM 0 HA ALA A 59 7.522 2.811 1.751 1.00 0.00 H new ATOM 0 HB1 ALA A 59 6.373 4.047 3.524 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.498 2.844 4.200 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.940 4.568 4.188 1.00 0.00 H new ATOM 911 N GLU A 60 9.021 5.662 1.452 1.00 0.00 N ATOM 912 CA GLU A 60 9.062 6.897 0.688 1.00 0.00 C ATOM 913 C GLU A 60 9.190 6.594 -0.806 1.00 0.00 C ATOM 914 O GLU A 60 9.122 7.500 -1.635 1.00 0.00 O ATOM 915 CB GLU A 60 10.202 7.799 1.165 1.00 0.00 C ATOM 916 CG GLU A 60 10.262 9.088 0.342 1.00 0.00 C ATOM 917 CD GLU A 60 11.454 9.071 -0.617 1.00 0.00 C ATOM 918 OE1 GLU A 60 12.610 9.068 -0.169 1.00 0.00 O ATOM 919 OE2 GLU A 60 11.146 9.059 -1.869 1.00 0.00 O ATOM 0 H GLU A 60 9.858 5.474 2.003 1.00 0.00 H new ATOM 0 HA GLU A 60 8.127 7.433 0.850 1.00 0.00 H new ATOM 0 HB2 GLU A 60 10.062 8.042 2.218 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.150 7.267 1.084 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.338 9.206 -0.223 1.00 0.00 H new ATOM 0 HG3 GLU A 60 10.340 9.946 1.009 1.00 0.00 H new ATOM 927 N LYS A 61 9.375 5.316 -1.104 1.00 0.00 N ATOM 928 CA LYS A 61 9.514 4.882 -2.484 1.00 0.00 C ATOM 929 C LYS A 61 8.214 4.215 -2.937 1.00 0.00 C ATOM 930 O LYS A 61 8.058 3.885 -4.112 1.00 0.00 O ATOM 931 CB LYS A 61 10.749 3.994 -2.644 1.00 0.00 C ATOM 932 CG LYS A 61 11.940 4.801 -3.166 1.00 0.00 C ATOM 933 CD LYS A 61 12.312 4.373 -4.587 1.00 0.00 C ATOM 934 CE LYS A 61 12.973 5.522 -5.351 1.00 0.00 C ATOM 935 NZ LYS A 61 11.961 6.521 -5.762 1.00 0.00 N ATOM 0 H LYS A 61 9.432 4.567 -0.414 1.00 0.00 H new ATOM 0 HA LYS A 61 9.679 5.738 -3.138 1.00 0.00 H new ATOM 0 HB2 LYS A 61 11.003 3.542 -1.685 1.00 0.00 H new ATOM 0 HB3 LYS A 61 10.528 3.178 -3.332 1.00 0.00 H new ATOM 0 HG2 LYS A 61 11.697 5.864 -3.154 1.00 0.00 H new ATOM 0 HG3 LYS A 61 12.796 4.662 -2.505 1.00 0.00 H new ATOM 0 HD2 LYS A 61 12.990 3.520 -4.548 1.00 0.00 H new ATOM 0 HD3 LYS A 61 11.418 4.046 -5.118 1.00 0.00 H new ATOM 0 HE2 LYS A 61 13.728 5.997 -4.724 1.00 0.00 H new ATOM 0 HE3 LYS A 61 13.487 5.134 -6.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 12.356 7.129 -6.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 11.118 6.032 -6.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 11.697 7.105 -4.943 1.00 0.00 H new ATOM 948 N ILE A 62 7.313 4.035 -1.982 1.00 0.00 N ATOM 949 CA ILE A 62 6.032 3.413 -2.268 1.00 0.00 C ATOM 950 C ILE A 62 4.929 4.472 -2.200 1.00 0.00 C ATOM 951 O ILE A 62 3.747 4.139 -2.130 1.00 0.00 O ATOM 952 CB ILE A 62 5.797 2.220 -1.340 1.00 0.00 C ATOM 953 CG1 ILE A 62 5.211 2.673 -0.002 1.00 0.00 C ATOM 954 CG2 ILE A 62 7.079 1.405 -1.158 1.00 0.00 C ATOM 955 CD1 ILE A 62 4.598 1.493 0.756 1.00 0.00 C ATOM 0 H ILE A 62 7.445 4.310 -1.009 1.00 0.00 H new ATOM 0 HA ILE A 62 6.023 3.007 -3.280 1.00 0.00 H new ATOM 0 HB ILE A 62 5.063 1.564 -1.807 1.00 0.00 H new ATOM 0 HG12 ILE A 62 5.992 3.133 0.604 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.450 3.435 -0.173 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.884 0.563 -0.494 1.00 0.00 H new ATOM 0 HG22 ILE A 62 7.414 1.033 -2.126 1.00 0.00 H new ATOM 0 HG23 ILE A 62 7.854 2.037 -0.724 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.189 1.843 1.704 1.00 0.00 H new ATOM 0 HD12 ILE A 62 3.801 1.051 0.158 1.00 0.00 H new ATOM 0 HD13 ILE A 62 5.367 0.744 0.947 1.00 0.00 H new ATOM 967 N THR A 63 5.355 5.726 -2.223 1.00 0.00 N ATOM 968 CA THR A 63 4.419 6.836 -2.165 1.00 0.00 C ATOM 969 C THR A 63 3.137 6.492 -2.927 1.00 0.00 C ATOM 970 O THR A 63 2.049 6.916 -2.541 1.00 0.00 O ATOM 971 CB THR A 63 5.128 8.082 -2.700 1.00 0.00 C ATOM 972 OG1 THR A 63 5.426 7.757 -4.055 1.00 0.00 O ATOM 973 CG2 THR A 63 6.500 8.295 -2.057 1.00 0.00 C ATOM 0 H THR A 63 6.336 5.998 -2.281 1.00 0.00 H new ATOM 0 HA THR A 63 4.107 7.037 -1.140 1.00 0.00 H new ATOM 0 HB THR A 63 4.504 8.959 -2.524 1.00 0.00 H new ATOM 0 HG1 THR A 63 5.886 8.512 -4.479 1.00 0.00 H new ATOM 0 HG21 THR A 63 6.961 9.192 -2.471 1.00 0.00 H new ATOM 0 HG22 THR A 63 6.383 8.412 -0.980 1.00 0.00 H new ATOM 0 HG23 THR A 63 7.135 7.433 -2.261 1.00 0.00 H new ATOM 981 N THR A 64 3.309 5.728 -3.995 1.00 0.00 N ATOM 982 CA THR A 64 2.179 5.322 -4.815 1.00 0.00 C ATOM 983 C THR A 64 1.697 3.929 -4.406 1.00 0.00 C ATOM 984 O THR A 64 2.466 3.135 -3.869 1.00 0.00 O ATOM 985 CB THR A 64 2.604 5.412 -6.282 1.00 0.00 C ATOM 986 OG1 THR A 64 3.984 5.057 -6.267 1.00 0.00 O ATOM 987 CG2 THR A 64 2.594 6.849 -6.807 1.00 0.00 C ATOM 0 H THR A 64 4.213 5.379 -4.312 1.00 0.00 H new ATOM 0 HA THR A 64 1.325 5.983 -4.668 1.00 0.00 H new ATOM 0 HB THR A 64 1.939 4.799 -6.890 1.00 0.00 H new ATOM 0 HG1 THR A 64 4.340 5.088 -7.180 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.903 6.857 -7.852 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.588 7.260 -6.723 1.00 0.00 H new ATOM 0 HG23 THR A 64 3.284 7.456 -6.220 1.00 0.00 H new ATOM 995 N VAL A 65 0.425 3.676 -4.677 1.00 0.00 N ATOM 996 CA VAL A 65 -0.170 2.392 -4.344 1.00 0.00 C ATOM 997 C VAL A 65 0.459 1.303 -5.215 1.00 0.00 C ATOM 998 O VAL A 65 0.700 0.191 -4.746 1.00 0.00 O ATOM 999 CB VAL A 65 -1.691 2.468 -4.487 1.00 0.00 C ATOM 1000 CG1 VAL A 65 -2.361 1.238 -3.872 1.00 0.00 C ATOM 1001 CG2 VAL A 65 -2.237 3.757 -3.869 1.00 0.00 C ATOM 0 H VAL A 65 -0.210 4.338 -5.123 1.00 0.00 H new ATOM 0 HA VAL A 65 0.033 2.134 -3.304 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.927 2.481 -5.551 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.442 1.317 -3.987 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.007 0.340 -4.378 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.112 1.180 -2.812 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.320 3.785 -3.985 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.984 3.788 -2.809 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -1.796 4.617 -4.372 1.00 0.00 H new ATOM 1011 N GLN A 66 0.707 1.660 -6.466 1.00 0.00 N ATOM 1012 CA GLN A 66 1.304 0.726 -7.406 1.00 0.00 C ATOM 1013 C GLN A 66 2.598 0.147 -6.831 1.00 0.00 C ATOM 1014 O GLN A 66 2.758 -1.070 -6.757 1.00 0.00 O ATOM 1015 CB GLN A 66 1.556 1.396 -8.759 1.00 0.00 C ATOM 1016 CG GLN A 66 2.472 0.537 -9.633 1.00 0.00 C ATOM 1017 CD GLN A 66 1.929 0.435 -11.060 1.00 0.00 C ATOM 1018 OE1 GLN A 66 2.364 1.124 -11.968 1.00 0.00 O ATOM 1019 NE2 GLN A 66 0.958 -0.462 -11.206 1.00 0.00 N ATOM 0 H GLN A 66 0.506 2.583 -6.851 1.00 0.00 H new ATOM 0 HA GLN A 66 0.604 -0.093 -7.568 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.607 1.559 -9.270 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.008 2.376 -8.605 1.00 0.00 H new ATOM 0 HG2 GLN A 66 3.473 0.968 -9.651 1.00 0.00 H new ATOM 0 HG3 GLN A 66 2.562 -0.460 -9.202 1.00 0.00 H new ATOM 0 HE21 GLN A 66 0.641 -1.006 -10.403 1.00 0.00 H new ATOM 0 HE22 GLN A 66 0.530 -0.606 -12.121 1.00 0.00 H new ATOM 1028 N ALA A 67 3.488 1.047 -6.439 1.00 0.00 N ATOM 1029 CA ALA A 67 4.763 0.641 -5.872 1.00 0.00 C ATOM 1030 C ALA A 67 4.525 -0.436 -4.811 1.00 0.00 C ATOM 1031 O ALA A 67 5.258 -1.422 -4.747 1.00 0.00 O ATOM 1032 CB ALA A 67 5.485 1.866 -5.308 1.00 0.00 C ATOM 0 H ALA A 67 3.351 2.056 -6.503 1.00 0.00 H new ATOM 0 HA ALA A 67 5.405 0.210 -6.641 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.441 1.561 -4.883 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.657 2.587 -6.107 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.872 2.324 -4.532 1.00 0.00 H new ATOM 1038 N ALA A 68 3.498 -0.210 -4.006 1.00 0.00 N ATOM 1039 CA ALA A 68 3.154 -1.148 -2.951 1.00 0.00 C ATOM 1040 C ALA A 68 2.846 -2.514 -3.569 1.00 0.00 C ATOM 1041 O ALA A 68 3.138 -3.549 -2.973 1.00 0.00 O ATOM 1042 CB ALA A 68 1.980 -0.597 -2.140 1.00 0.00 C ATOM 0 H ALA A 68 2.893 0.609 -4.063 1.00 0.00 H new ATOM 0 HA ALA A 68 3.991 -1.278 -2.265 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.722 -1.301 -1.349 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.260 0.359 -1.698 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.120 -0.456 -2.795 1.00 0.00 H new ATOM 1048 N ILE A 69 2.259 -2.471 -4.756 1.00 0.00 N ATOM 1049 CA ILE A 69 1.909 -3.692 -5.461 1.00 0.00 C ATOM 1050 C ILE A 69 3.182 -4.355 -5.989 1.00 0.00 C ATOM 1051 O ILE A 69 3.468 -5.507 -5.664 1.00 0.00 O ATOM 1052 CB ILE A 69 0.870 -3.404 -6.547 1.00 0.00 C ATOM 1053 CG1 ILE A 69 -0.534 -3.298 -5.949 1.00 0.00 C ATOM 1054 CG2 ILE A 69 0.940 -4.448 -7.664 1.00 0.00 C ATOM 1055 CD1 ILE A 69 -1.182 -1.959 -6.304 1.00 0.00 C ATOM 0 H ILE A 69 2.017 -1.610 -5.247 1.00 0.00 H new ATOM 0 HA ILE A 69 1.438 -4.402 -4.781 1.00 0.00 H new ATOM 0 HB ILE A 69 1.103 -2.438 -6.994 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.153 -4.115 -6.319 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.480 -3.404 -4.865 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.191 -4.220 -8.423 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.932 -4.431 -8.116 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.747 -5.438 -7.250 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.179 -1.910 -5.866 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.573 -1.145 -5.911 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.256 -1.867 -7.388 1.00 0.00 H new ATOM 1067 N ASP A 70 3.914 -3.600 -6.795 1.00 0.00 N ATOM 1068 CA ASP A 70 5.151 -4.099 -7.371 1.00 0.00 C ATOM 1069 C ASP A 70 6.149 -4.393 -6.250 1.00 0.00 C ATOM 1070 O ASP A 70 7.148 -5.076 -6.466 1.00 0.00 O ATOM 1071 CB ASP A 70 5.781 -3.065 -8.306 1.00 0.00 C ATOM 1072 CG ASP A 70 6.320 -3.627 -9.623 1.00 0.00 C ATOM 1073 OD1 ASP A 70 7.338 -4.335 -9.646 1.00 0.00 O ATOM 1074 OD2 ASP A 70 5.641 -3.306 -10.672 1.00 0.00 O ATOM 0 H ASP A 70 3.674 -2.646 -7.063 1.00 0.00 H new ATOM 0 HA ASP A 70 4.919 -5.001 -7.936 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.037 -2.301 -8.532 1.00 0.00 H new ATOM 0 HB3 ASP A 70 6.597 -2.570 -7.779 1.00 0.00 H new ATOM 1080 N TYR A 71 5.843 -3.861 -5.075 1.00 0.00 N ATOM 1081 CA TYR A 71 6.701 -4.058 -3.919 1.00 0.00 C ATOM 1082 C TYR A 71 6.423 -5.407 -3.253 1.00 0.00 C ATOM 1083 O TYR A 71 7.351 -6.152 -2.942 1.00 0.00 O ATOM 1084 CB TYR A 71 6.351 -2.936 -2.939 1.00 0.00 C ATOM 1085 CG TYR A 71 6.823 -3.192 -1.506 1.00 0.00 C ATOM 1086 CD1 TYR A 71 8.169 -3.331 -1.237 1.00 0.00 C ATOM 1087 CD2 TYR A 71 5.902 -3.285 -0.482 1.00 0.00 C ATOM 1088 CE1 TYR A 71 8.613 -3.572 0.112 1.00 0.00 C ATOM 1089 CE2 TYR A 71 6.345 -3.526 0.866 1.00 0.00 C ATOM 1090 CZ TYR A 71 7.679 -3.658 1.097 1.00 0.00 C ATOM 1091 OH TYR A 71 8.098 -3.885 2.370 1.00 0.00 O ATOM 0 H TYR A 71 5.013 -3.294 -4.899 1.00 0.00 H new ATOM 0 HA TYR A 71 7.751 -4.044 -4.213 1.00 0.00 H new ATOM 0 HB2 TYR A 71 6.793 -2.005 -3.295 1.00 0.00 H new ATOM 0 HB3 TYR A 71 5.270 -2.795 -2.935 1.00 0.00 H new ATOM 0 HD1 TYR A 71 8.890 -3.259 -2.038 1.00 0.00 H new ATOM 0 HD2 TYR A 71 4.848 -3.177 -0.693 1.00 0.00 H new ATOM 0 HE1 TYR A 71 9.664 -3.682 0.336 1.00 0.00 H new ATOM 0 HE2 TYR A 71 5.634 -3.600 1.676 1.00 0.00 H new ATOM 0 HH TYR A 71 8.820 -3.261 2.593 1.00 0.00 H new ATOM 1101 N ILE A 72 5.142 -5.679 -3.053 1.00 0.00 N ATOM 1102 CA ILE A 72 4.731 -6.925 -2.429 1.00 0.00 C ATOM 1103 C ILE A 72 5.046 -8.090 -3.370 1.00 0.00 C ATOM 1104 O ILE A 72 5.170 -9.232 -2.930 1.00 0.00 O ATOM 1105 CB ILE A 72 3.261 -6.854 -2.009 1.00 0.00 C ATOM 1106 CG1 ILE A 72 3.097 -6.044 -0.722 1.00 0.00 C ATOM 1107 CG2 ILE A 72 2.658 -8.255 -1.886 1.00 0.00 C ATOM 1108 CD1 ILE A 72 3.485 -6.875 0.502 1.00 0.00 C ATOM 0 H ILE A 72 4.375 -5.058 -3.312 1.00 0.00 H new ATOM 0 HA ILE A 72 5.293 -7.095 -1.511 1.00 0.00 H new ATOM 0 HB ILE A 72 2.707 -6.333 -2.790 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.717 -5.149 -0.770 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.064 -5.711 -0.627 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.613 -8.176 -1.586 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.723 -8.765 -2.847 1.00 0.00 H new ATOM 0 HG23 ILE A 72 3.208 -8.824 -1.136 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.359 -6.275 1.404 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.847 -7.757 0.560 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.526 -7.186 0.415 1.00 0.00 H new ATOM 1120 N ASN A 73 5.167 -7.761 -4.648 1.00 0.00 N ATOM 1121 CA ASN A 73 5.465 -8.765 -5.654 1.00 0.00 C ATOM 1122 C ASN A 73 6.982 -8.878 -5.821 1.00 0.00 C ATOM 1123 O ASN A 73 7.497 -9.951 -6.133 1.00 0.00 O ATOM 1124 CB ASN A 73 4.867 -8.382 -7.009 1.00 0.00 C ATOM 1125 CG ASN A 73 3.759 -9.356 -7.415 1.00 0.00 C ATOM 1126 OD1 ASN A 73 2.537 -8.833 -7.371 1.00 0.00 O flip ATOM 1127 ND2 ASN A 73 3.998 -10.505 -7.746 1.00 0.00 N flip ATOM 0 H ASN A 73 5.064 -6.813 -5.009 1.00 0.00 H new ATOM 0 HA ASN A 73 5.034 -9.711 -5.325 1.00 0.00 H new ATOM 0 HB2 ASN A 73 4.466 -7.370 -6.960 1.00 0.00 H new ATOM 0 HB3 ASN A 73 5.649 -8.379 -7.768 1.00 0.00 H new ATOM 0 HD21 ASN A 73 4.960 -10.843 -7.758 1.00 0.00 H new ATOM 0 HD22 ASN A 73 3.235 -11.128 -8.011 1.00 0.00 H new ATOM 1134 N GLY A 74 7.654 -7.757 -5.607 1.00 0.00 N ATOM 1135 CA GLY A 74 9.101 -7.717 -5.730 1.00 0.00 C ATOM 1136 C GLY A 74 9.775 -8.155 -4.428 1.00 0.00 C ATOM 1137 O GLY A 74 10.975 -7.955 -4.248 1.00 0.00 O ATOM 0 H GLY A 74 7.223 -6.869 -5.349 1.00 0.00 H new ATOM 0 HA2 GLY A 74 9.418 -8.368 -6.545 1.00 0.00 H new ATOM 0 HA3 GLY A 74 9.420 -6.707 -5.987 1.00 0.00 H new ATOM 1141 N HIS A 75 8.973 -8.744 -3.553 1.00 0.00 N ATOM 1142 CA HIS A 75 9.476 -9.212 -2.273 1.00 0.00 C ATOM 1143 C HIS A 75 9.136 -10.693 -2.098 1.00 0.00 C ATOM 1144 O HIS A 75 10.030 -11.532 -2.004 1.00 0.00 O ATOM 1145 CB HIS A 75 8.946 -8.343 -1.130 1.00 0.00 C ATOM 1146 CG HIS A 75 10.026 -7.765 -0.247 1.00 0.00 C ATOM 1147 ND1 HIS A 75 10.149 -8.084 1.094 1.00 0.00 N ATOM 1148 CD2 HIS A 75 11.031 -6.886 -0.527 1.00 0.00 C ATOM 1149 CE1 HIS A 75 11.183 -7.421 1.589 1.00 0.00 C ATOM 1150 NE2 HIS A 75 11.728 -6.678 0.583 1.00 0.00 N ATOM 0 H HIS A 75 7.978 -8.908 -3.706 1.00 0.00 H new ATOM 0 HA HIS A 75 10.562 -9.119 -2.249 1.00 0.00 H new ATOM 0 HB2 HIS A 75 8.359 -7.527 -1.550 1.00 0.00 H new ATOM 0 HB3 HIS A 75 8.270 -8.939 -0.517 1.00 0.00 H new ATOM 0 HD2 HIS A 75 11.226 -6.436 -1.489 1.00 0.00 H new ATOM 0 HE1 HIS A 75 11.533 -7.461 2.610 1.00 0.00 H new ATOM 0 HE2 HIS A 75 12.538 -6.064 0.670 1.00 0.00 H new ATOM 1158 N GLN A 76 7.841 -10.969 -2.059 1.00 0.00 N ATOM 1159 CA GLN A 76 7.371 -12.335 -1.897 1.00 0.00 C ATOM 1160 C GLN A 76 7.788 -12.881 -0.530 1.00 0.00 C ATOM 1161 O GLN A 76 7.060 -12.733 0.450 1.00 0.00 O ATOM 1162 CB GLN A 76 7.887 -13.230 -3.026 1.00 0.00 C ATOM 1163 CG GLN A 76 7.059 -13.039 -4.298 1.00 0.00 C ATOM 1164 CD GLN A 76 5.579 -13.326 -4.038 1.00 0.00 C ATOM 1165 OE1 GLN A 76 5.170 -14.452 -3.806 1.00 0.00 O ATOM 1166 NE2 GLN A 76 4.802 -12.248 -4.088 1.00 0.00 N ATOM 0 H GLN A 76 7.102 -10.270 -2.137 1.00 0.00 H new ATOM 0 HA GLN A 76 6.282 -12.333 -1.949 1.00 0.00 H new ATOM 0 HB2 GLN A 76 8.932 -12.998 -3.230 1.00 0.00 H new ATOM 0 HB3 GLN A 76 7.847 -14.274 -2.715 1.00 0.00 H new ATOM 0 HG2 GLN A 76 7.176 -12.019 -4.663 1.00 0.00 H new ATOM 0 HG3 GLN A 76 7.430 -13.702 -5.080 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.209 -11.334 -4.287 1.00 0.00 H new ATOM 0 HE22 GLN A 76 3.799 -12.335 -3.927 1.00 0.00 H new ATOM 1175 N ALA A 77 8.959 -13.501 -0.508 1.00 0.00 N ATOM 1176 CA ALA A 77 9.482 -14.069 0.722 1.00 0.00 C ATOM 1177 C ALA A 77 10.197 -12.977 1.520 1.00 0.00 C ATOM 1178 O ALA A 77 11.410 -13.039 1.715 1.00 0.00 O ATOM 1179 CB ALA A 77 10.402 -15.246 0.390 1.00 0.00 C ATOM 0 H ALA A 77 9.560 -13.622 -1.323 1.00 0.00 H new ATOM 0 HA ALA A 77 8.672 -14.453 1.342 1.00 0.00 H new ATOM 0 HB1 ALA A 77 10.795 -15.672 1.313 1.00 0.00 H new ATOM 0 HB2 ALA A 77 9.839 -16.007 -0.150 1.00 0.00 H new ATOM 0 HB3 ALA A 77 11.229 -14.898 -0.229 1.00 0.00 H new TER 1185 ALA A 77