USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 586 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 30 ASN : amide:sc= -4.14 K(o=-4.1,f=-0.11) USER MOD Set 1.2: A 32 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 19 LYS NZ :NH3+ 179:sc= 0.41 (180deg=0) USER MOD Set 2.2: A 43 THR OG1 : rot 180:sc= 0.385 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.103 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 9 ASN : amide:sc= 0.161 X(o=0.16,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.185 K(o=-0.18,f=-4.5!) USER MOD Single : A 17 ASN : amide:sc= -2.27! C(o=-2.3!,f=-3!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 30:sc= -0.0982 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0.00134 USER MOD Single : A 46 SER OG : rot 180:sc= -0.156 USER MOD Single : A 50 MET CE :methyl 168:sc= -0.469 (180deg=-0.92) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl 165:sc= -0.456 (180deg=-1.42) USER MOD Single : A 61 ASN : amide:sc= -0.0745 X(o=-0.074,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -139:sc= -0.47 (180deg=-1.84) USER MOD Single : A 65 LYS NZ :NH3+ 157:sc= 0.0176 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 99:sc= 0.0725 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.048 X(o=-0.048,f=-0.014) USER MOD Single : A 76 SER OG : rot 180:sc= -0.105 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.190 -16.587 12.421 1.00 0.00 N ATOM 2 CA GLY A 1 12.435 -16.551 10.991 1.00 0.00 C ATOM 3 C GLY A 1 11.675 -17.629 10.245 1.00 0.00 C ATOM 4 O GLY A 1 10.447 -17.683 10.299 1.00 0.00 O ATOM 0 H1 GLY A 1 12.732 -15.831 12.885 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.176 -16.448 12.603 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.486 -17.509 12.801 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.150 -15.574 10.601 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.503 -16.669 10.805 1.00 0.00 H new ATOM 8 N SER A 2 12.407 -18.490 9.544 1.00 0.00 N ATOM 9 CA SER A 2 11.794 -19.569 8.779 1.00 0.00 C ATOM 10 C SER A 2 12.133 -20.927 9.386 1.00 0.00 C ATOM 11 O SER A 2 11.243 -21.701 9.738 1.00 0.00 O ATOM 12 CB SER A 2 12.260 -19.518 7.322 1.00 0.00 C ATOM 13 OG SER A 2 13.675 -19.525 7.239 1.00 0.00 O ATOM 0 H SER A 2 13.425 -18.461 9.490 1.00 0.00 H new ATOM 0 HA SER A 2 10.713 -19.436 8.812 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.856 -20.372 6.778 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.869 -18.621 6.843 1.00 0.00 H new ATOM 0 HG SER A 2 13.948 -19.494 6.298 1.00 0.00 H new ATOM 19 N SER A 3 13.426 -21.208 9.506 1.00 0.00 N ATOM 20 CA SER A 3 13.885 -22.474 10.067 1.00 0.00 C ATOM 21 C SER A 3 13.212 -23.652 9.370 1.00 0.00 C ATOM 22 O SER A 3 12.808 -24.620 10.014 1.00 0.00 O ATOM 23 CB SER A 3 13.598 -22.523 11.569 1.00 0.00 C ATOM 24 OG SER A 3 14.673 -21.975 12.312 1.00 0.00 O ATOM 0 H SER A 3 14.175 -20.576 9.222 1.00 0.00 H new ATOM 0 HA SER A 3 14.961 -22.546 9.907 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.683 -21.971 11.786 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.428 -23.555 11.876 1.00 0.00 H new ATOM 0 HG SER A 3 14.464 -22.017 13.269 1.00 0.00 H new ATOM 30 N GLY A 4 13.094 -23.562 8.049 1.00 0.00 N ATOM 31 CA GLY A 4 12.469 -24.626 7.285 1.00 0.00 C ATOM 32 C GLY A 4 11.791 -24.117 6.029 1.00 0.00 C ATOM 33 O GLY A 4 10.852 -23.325 6.100 1.00 0.00 O ATOM 0 H GLY A 4 13.420 -22.771 7.494 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.223 -25.365 7.013 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.735 -25.135 7.910 1.00 0.00 H new ATOM 37 N SER A 5 12.268 -24.572 4.875 1.00 0.00 N ATOM 38 CA SER A 5 11.705 -24.154 3.597 1.00 0.00 C ATOM 39 C SER A 5 10.309 -24.736 3.401 1.00 0.00 C ATOM 40 O SER A 5 9.363 -24.016 3.082 1.00 0.00 O ATOM 41 CB SER A 5 12.617 -24.588 2.447 1.00 0.00 C ATOM 42 OG SER A 5 12.020 -24.313 1.191 1.00 0.00 O ATOM 0 H SER A 5 13.043 -25.230 4.799 1.00 0.00 H new ATOM 0 HA SER A 5 11.629 -23.067 3.601 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.572 -24.069 2.521 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.827 -25.655 2.528 1.00 0.00 H new ATOM 0 HG SER A 5 12.623 -24.598 0.473 1.00 0.00 H new ATOM 48 N SER A 6 10.188 -26.046 3.595 1.00 0.00 N ATOM 49 CA SER A 6 8.909 -26.727 3.437 1.00 0.00 C ATOM 50 C SER A 6 8.257 -26.981 4.793 1.00 0.00 C ATOM 51 O SER A 6 8.830 -26.672 5.837 1.00 0.00 O ATOM 52 CB SER A 6 9.101 -28.051 2.695 1.00 0.00 C ATOM 53 OG SER A 6 9.957 -28.920 3.416 1.00 0.00 O ATOM 0 H SER A 6 10.961 -26.656 3.862 1.00 0.00 H new ATOM 0 HA SER A 6 8.252 -26.083 2.853 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.134 -28.531 2.544 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.520 -27.860 1.707 1.00 0.00 H new ATOM 0 HG SER A 6 10.062 -29.760 2.922 1.00 0.00 H new ATOM 59 N GLY A 7 7.054 -27.546 4.768 1.00 0.00 N ATOM 60 CA GLY A 7 6.342 -27.831 6.000 1.00 0.00 C ATOM 61 C GLY A 7 5.846 -26.575 6.688 1.00 0.00 C ATOM 62 O GLY A 7 6.619 -25.864 7.332 1.00 0.00 O ATOM 0 H GLY A 7 6.560 -27.812 3.916 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.495 -28.482 5.784 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.999 -28.377 6.677 1.00 0.00 H new ATOM 66 N LEU A 8 4.554 -26.298 6.551 1.00 0.00 N ATOM 67 CA LEU A 8 3.955 -25.117 7.163 1.00 0.00 C ATOM 68 C LEU A 8 3.321 -25.463 8.506 1.00 0.00 C ATOM 69 O LEU A 8 2.356 -26.223 8.571 1.00 0.00 O ATOM 70 CB LEU A 8 2.904 -24.513 6.230 1.00 0.00 C ATOM 71 CG LEU A 8 3.439 -23.666 5.075 1.00 0.00 C ATOM 72 CD1 LEU A 8 3.731 -22.249 5.542 1.00 0.00 C ATOM 73 CD2 LEU A 8 4.688 -24.302 4.482 1.00 0.00 C ATOM 0 H LEU A 8 3.901 -26.875 6.021 1.00 0.00 H new ATOM 0 HA LEU A 8 4.745 -24.385 7.333 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.308 -25.325 5.813 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.231 -23.896 6.825 1.00 0.00 H new ATOM 0 HG LEU A 8 2.675 -23.620 4.299 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.111 -21.661 4.706 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.815 -21.794 5.919 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.477 -22.274 6.336 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.055 -23.686 3.661 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.457 -24.379 5.251 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.447 -25.297 4.109 1.00 0.00 H new ATOM 85 N ASN A 9 3.870 -24.897 9.577 1.00 0.00 N ATOM 86 CA ASN A 9 3.357 -25.144 10.919 1.00 0.00 C ATOM 87 C ASN A 9 1.960 -24.554 11.085 1.00 0.00 C ATOM 88 O ASN A 9 1.006 -25.267 11.398 1.00 0.00 O ATOM 89 CB ASN A 9 4.301 -24.550 11.966 1.00 0.00 C ATOM 90 CG ASN A 9 4.174 -25.233 13.314 1.00 0.00 C ATOM 91 OD1 ASN A 9 4.807 -26.258 13.565 1.00 0.00 O ATOM 92 ND2 ASN A 9 3.352 -24.666 14.189 1.00 0.00 N ATOM 0 H ASN A 9 4.670 -24.265 9.541 1.00 0.00 H new ATOM 0 HA ASN A 9 3.296 -26.223 11.064 1.00 0.00 H new ATOM 0 HB2 ASN A 9 5.329 -24.635 11.614 1.00 0.00 H new ATOM 0 HB3 ASN A 9 4.090 -23.487 12.079 1.00 0.00 H new ATOM 0 HD21 ASN A 9 3.225 -25.080 15.112 1.00 0.00 H new ATOM 0 HD22 ASN A 9 2.847 -23.816 13.938 1.00 0.00 H new ATOM 99 N ASP A 10 1.847 -23.247 10.872 1.00 0.00 N ATOM 100 CA ASP A 10 0.566 -22.560 10.995 1.00 0.00 C ATOM 101 C ASP A 10 0.364 -21.578 9.846 1.00 0.00 C ATOM 102 O ASP A 10 1.327 -21.114 9.235 1.00 0.00 O ATOM 103 CB ASP A 10 0.485 -21.824 12.333 1.00 0.00 C ATOM 104 CG ASP A 10 1.776 -21.107 12.678 1.00 0.00 C ATOM 105 OD1 ASP A 10 2.653 -21.734 13.310 1.00 0.00 O ATOM 106 OD2 ASP A 10 1.910 -19.920 12.316 1.00 0.00 O ATOM 0 H ASP A 10 2.627 -22.642 10.613 1.00 0.00 H new ATOM 0 HA ASP A 10 -0.226 -23.308 10.953 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -0.330 -21.102 12.298 1.00 0.00 H new ATOM 0 HB3 ASP A 10 0.246 -22.537 13.123 1.00 0.00 H new ATOM 111 N LEU A 11 -0.895 -21.264 9.558 1.00 0.00 N ATOM 112 CA LEU A 11 -1.224 -20.337 8.481 1.00 0.00 C ATOM 113 C LEU A 11 -0.708 -18.936 8.792 1.00 0.00 C ATOM 114 O LEU A 11 -0.874 -18.433 9.903 1.00 0.00 O ATOM 115 CB LEU A 11 -2.738 -20.298 8.260 1.00 0.00 C ATOM 116 CG LEU A 11 -3.306 -21.357 7.316 1.00 0.00 C ATOM 117 CD1 LEU A 11 -3.518 -22.670 8.053 1.00 0.00 C ATOM 118 CD2 LEU A 11 -4.609 -20.875 6.696 1.00 0.00 C ATOM 0 H LEU A 11 -1.704 -21.638 10.055 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.739 -20.689 7.571 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.229 -20.402 9.228 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.003 -19.315 7.872 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.586 -21.526 6.515 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.923 -23.412 7.365 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.566 -23.023 8.448 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.218 -22.517 8.875 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.999 -21.642 6.027 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -5.336 -20.677 7.484 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.427 -19.960 6.132 1.00 0.00 H new ATOM 130 N LYS A 12 -0.081 -18.309 7.802 1.00 0.00 N ATOM 131 CA LYS A 12 0.457 -16.964 7.967 1.00 0.00 C ATOM 132 C LYS A 12 -0.644 -15.917 7.833 1.00 0.00 C ATOM 133 O LYS A 12 -0.816 -15.070 8.709 1.00 0.00 O ATOM 134 CB LYS A 12 1.554 -16.701 6.933 1.00 0.00 C ATOM 135 CG LYS A 12 2.369 -15.450 7.215 1.00 0.00 C ATOM 136 CD LYS A 12 3.561 -15.751 8.107 1.00 0.00 C ATOM 137 CE LYS A 12 3.164 -15.785 9.575 1.00 0.00 C ATOM 138 NZ LYS A 12 4.293 -15.395 10.464 1.00 0.00 N ATOM 0 H LYS A 12 0.067 -18.711 6.876 1.00 0.00 H new ATOM 0 HA LYS A 12 0.884 -16.891 8.967 1.00 0.00 H new ATOM 0 HB2 LYS A 12 2.223 -17.561 6.899 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.098 -16.613 5.947 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.716 -15.021 6.275 1.00 0.00 H new ATOM 0 HG3 LYS A 12 1.736 -14.702 7.692 1.00 0.00 H new ATOM 0 HD2 LYS A 12 3.996 -16.710 7.824 1.00 0.00 H new ATOM 0 HD3 LYS A 12 4.331 -14.995 7.955 1.00 0.00 H new ATOM 0 HE2 LYS A 12 2.323 -15.111 9.739 1.00 0.00 H new ATOM 0 HE3 LYS A 12 2.825 -16.788 9.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 3.982 -15.431 11.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 5.087 -16.053 10.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 4.600 -14.429 10.232 1.00 0.00 H new ATOM 152 N GLU A 13 -1.386 -15.982 6.732 1.00 0.00 N ATOM 153 CA GLU A 13 -2.471 -15.040 6.486 1.00 0.00 C ATOM 154 C GLU A 13 -3.741 -15.468 7.216 1.00 0.00 C ATOM 155 O GLU A 13 -4.840 -15.391 6.668 1.00 0.00 O ATOM 156 CB GLU A 13 -2.746 -14.925 4.985 1.00 0.00 C ATOM 157 CG GLU A 13 -3.123 -16.245 4.333 1.00 0.00 C ATOM 158 CD GLU A 13 -3.907 -16.059 3.049 1.00 0.00 C ATOM 159 OE1 GLU A 13 -5.066 -15.598 3.121 1.00 0.00 O ATOM 160 OE2 GLU A 13 -3.361 -16.373 1.970 1.00 0.00 O ATOM 0 H GLU A 13 -1.256 -16.677 5.997 1.00 0.00 H new ATOM 0 HA GLU A 13 -2.165 -14.066 6.868 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -3.551 -14.208 4.825 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -1.860 -14.525 4.491 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.217 -16.813 4.122 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -3.714 -16.836 5.033 1.00 0.00 H new ATOM 167 N SER A 14 -3.580 -15.920 8.455 1.00 0.00 N ATOM 168 CA SER A 14 -4.712 -16.365 9.260 1.00 0.00 C ATOM 169 C SER A 14 -5.848 -15.349 9.208 1.00 0.00 C ATOM 170 O SER A 14 -6.960 -15.665 8.785 1.00 0.00 O ATOM 171 CB SER A 14 -4.278 -16.589 10.710 1.00 0.00 C ATOM 172 OG SER A 14 -5.373 -16.990 11.514 1.00 0.00 O ATOM 0 H SER A 14 -2.677 -15.988 8.924 1.00 0.00 H new ATOM 0 HA SER A 14 -5.072 -17.307 8.847 1.00 0.00 H new ATOM 0 HB2 SER A 14 -3.498 -17.350 10.746 1.00 0.00 H new ATOM 0 HB3 SER A 14 -3.846 -15.671 11.110 1.00 0.00 H new ATOM 0 HG SER A 14 -5.069 -17.128 12.435 1.00 0.00 H new ATOM 178 N SER A 15 -5.560 -14.126 9.641 1.00 0.00 N ATOM 179 CA SER A 15 -6.558 -13.062 9.649 1.00 0.00 C ATOM 180 C SER A 15 -6.831 -12.564 8.233 1.00 0.00 C ATOM 181 O SER A 15 -6.000 -12.716 7.338 1.00 0.00 O ATOM 182 CB SER A 15 -6.090 -11.901 10.529 1.00 0.00 C ATOM 183 OG SER A 15 -7.191 -11.140 10.996 1.00 0.00 O ATOM 0 H SER A 15 -4.644 -13.847 9.991 1.00 0.00 H new ATOM 0 HA SER A 15 -7.483 -13.468 10.058 1.00 0.00 H new ATOM 0 HB2 SER A 15 -5.525 -12.288 11.377 1.00 0.00 H new ATOM 0 HB3 SER A 15 -5.415 -11.260 9.962 1.00 0.00 H new ATOM 0 HG SER A 15 -6.866 -10.405 11.557 1.00 0.00 H new ATOM 189 N ASN A 16 -8.002 -11.967 8.038 1.00 0.00 N ATOM 190 CA ASN A 16 -8.387 -11.446 6.731 1.00 0.00 C ATOM 191 C ASN A 16 -8.189 -9.935 6.668 1.00 0.00 C ATOM 192 O ASN A 16 -8.473 -9.221 7.629 1.00 0.00 O ATOM 193 CB ASN A 16 -9.846 -11.794 6.430 1.00 0.00 C ATOM 194 CG ASN A 16 -10.181 -11.656 4.957 1.00 0.00 C ATOM 195 OD1 ASN A 16 -9.330 -11.286 4.147 1.00 0.00 O ATOM 196 ND2 ASN A 16 -11.426 -11.953 4.603 1.00 0.00 N ATOM 0 H ASN A 16 -8.701 -11.832 8.768 1.00 0.00 H new ATOM 0 HA ASN A 16 -7.748 -11.910 5.980 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -10.047 -12.816 6.751 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -10.499 -11.143 7.011 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -11.710 -11.879 3.626 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -12.098 -12.256 5.308 1.00 0.00 H new ATOM 203 N ASN A 17 -7.700 -9.455 5.529 1.00 0.00 N ATOM 204 CA ASN A 17 -7.464 -8.028 5.340 1.00 0.00 C ATOM 205 C ASN A 17 -7.486 -7.664 3.859 1.00 0.00 C ATOM 206 O ASN A 17 -7.573 -8.538 2.996 1.00 0.00 O ATOM 207 CB ASN A 17 -6.122 -7.626 5.956 1.00 0.00 C ATOM 208 CG ASN A 17 -5.826 -8.377 7.239 1.00 0.00 C ATOM 209 OD1 ASN A 17 -5.423 -9.540 7.213 1.00 0.00 O ATOM 210 ND2 ASN A 17 -6.027 -7.714 8.372 1.00 0.00 N ATOM 0 H ASN A 17 -7.460 -10.033 4.724 1.00 0.00 H new ATOM 0 HA ASN A 17 -8.264 -7.483 5.841 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -5.325 -7.813 5.237 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -6.124 -6.555 6.158 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -5.846 -8.168 9.267 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -6.362 -6.751 8.347 1.00 0.00 H new ATOM 217 N ARG A 18 -7.407 -6.369 3.572 1.00 0.00 N ATOM 218 CA ARG A 18 -7.419 -5.889 2.195 1.00 0.00 C ATOM 219 C ARG A 18 -6.015 -5.920 1.597 1.00 0.00 C ATOM 220 O ARG A 18 -5.023 -6.026 2.318 1.00 0.00 O ATOM 221 CB ARG A 18 -7.980 -4.468 2.133 1.00 0.00 C ATOM 222 CG ARG A 18 -9.498 -4.410 2.177 1.00 0.00 C ATOM 223 CD ARG A 18 -10.101 -4.535 0.787 1.00 0.00 C ATOM 224 NE ARG A 18 -11.432 -5.136 0.820 1.00 0.00 N ATOM 225 CZ ARG A 18 -12.273 -5.116 -0.209 1.00 0.00 C ATOM 226 NH1 ARG A 18 -11.922 -4.529 -1.345 1.00 0.00 N ATOM 227 NH2 ARG A 18 -13.467 -5.684 -0.102 1.00 0.00 N ATOM 0 H ARG A 18 -7.334 -5.633 4.275 1.00 0.00 H new ATOM 0 HA ARG A 18 -8.059 -6.550 1.611 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.579 -3.891 2.966 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.633 -3.989 1.217 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.875 -5.212 2.812 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -9.814 -3.470 2.629 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -10.160 -3.548 0.327 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.445 -5.140 0.160 1.00 0.00 H new ATOM 0 HE ARG A 18 -11.732 -5.596 1.679 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -11.005 -4.091 -1.431 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -12.569 -4.515 -2.133 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -13.740 -6.136 0.770 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -14.112 -5.668 -0.892 1.00 0.00 H new ATOM 241 N LYS A 19 -5.940 -5.828 0.274 1.00 0.00 N ATOM 242 CA LYS A 19 -4.659 -5.845 -0.423 1.00 0.00 C ATOM 243 C LYS A 19 -4.591 -4.730 -1.462 1.00 0.00 C ATOM 244 O LYS A 19 -5.579 -4.432 -2.133 1.00 0.00 O ATOM 245 CB LYS A 19 -4.441 -7.201 -1.099 1.00 0.00 C ATOM 246 CG LYS A 19 -4.274 -8.349 -0.119 1.00 0.00 C ATOM 247 CD LYS A 19 -2.817 -8.546 0.266 1.00 0.00 C ATOM 248 CE LYS A 19 -2.522 -9.999 0.604 1.00 0.00 C ATOM 249 NZ LYS A 19 -1.252 -10.144 1.368 1.00 0.00 N ATOM 0 H LYS A 19 -6.752 -5.741 -0.338 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.871 -5.682 0.312 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.288 -7.412 -1.752 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.556 -7.144 -1.733 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.865 -8.153 0.776 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.661 -9.266 -0.562 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.176 -8.225 -0.555 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.577 -7.916 1.123 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.346 -10.411 1.187 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -2.461 -10.581 -0.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -1.095 -11.147 1.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.460 -9.790 0.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.313 -9.596 2.250 1.00 0.00 H new ATOM 263 N ALA A 20 -3.418 -4.119 -1.591 1.00 0.00 N ATOM 264 CA ALA A 20 -3.220 -3.039 -2.550 1.00 0.00 C ATOM 265 C ALA A 20 -1.745 -2.880 -2.901 1.00 0.00 C ATOM 266 O ALA A 20 -0.869 -3.135 -2.073 1.00 0.00 O ATOM 267 CB ALA A 20 -3.778 -1.735 -2.000 1.00 0.00 C ATOM 0 H ALA A 20 -2.590 -4.354 -1.043 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.758 -3.294 -3.463 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.623 -0.938 -2.727 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.845 -1.848 -1.808 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.266 -1.483 -1.071 1.00 0.00 H new ATOM 273 N ARG A 21 -1.476 -2.458 -4.132 1.00 0.00 N ATOM 274 CA ARG A 21 -0.106 -2.266 -4.592 1.00 0.00 C ATOM 275 C ARG A 21 0.317 -0.807 -4.448 1.00 0.00 C ATOM 276 O ARG A 21 -0.511 0.101 -4.528 1.00 0.00 O ATOM 277 CB ARG A 21 0.032 -2.707 -6.050 1.00 0.00 C ATOM 278 CG ARG A 21 1.430 -2.516 -6.615 1.00 0.00 C ATOM 279 CD ARG A 21 1.528 -3.028 -8.044 1.00 0.00 C ATOM 280 NE ARG A 21 0.851 -4.311 -8.213 1.00 0.00 N ATOM 281 CZ ARG A 21 1.375 -5.473 -7.839 1.00 0.00 C ATOM 282 NH1 ARG A 21 2.575 -5.513 -7.277 1.00 0.00 N ATOM 283 NH2 ARG A 21 0.697 -6.598 -8.026 1.00 0.00 N ATOM 0 H ARG A 21 -2.189 -2.242 -4.829 1.00 0.00 H new ATOM 0 HA ARG A 21 0.548 -2.879 -3.971 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -0.242 -3.759 -6.130 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -0.677 -2.146 -6.659 1.00 0.00 H new ATOM 0 HG2 ARG A 21 1.694 -1.459 -6.587 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.152 -3.041 -5.989 1.00 0.00 H new ATOM 0 HD2 ARG A 21 1.091 -2.295 -8.722 1.00 0.00 H new ATOM 0 HD3 ARG A 21 2.577 -3.132 -8.321 1.00 0.00 H new ATOM 0 HE ARG A 21 -0.075 -4.315 -8.642 1.00 0.00 H new ATOM 0 HH11 ARG A 21 3.099 -4.650 -7.131 1.00 0.00 H new ATOM 0 HH12 ARG A 21 2.975 -6.407 -6.991 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -0.227 -6.571 -8.457 1.00 0.00 H new ATOM 0 HH22 ARG A 21 1.100 -7.490 -7.739 1.00 0.00 H new ATOM 297 N VAL A 22 1.611 -0.589 -4.236 1.00 0.00 N ATOM 298 CA VAL A 22 2.144 0.759 -4.082 1.00 0.00 C ATOM 299 C VAL A 22 2.544 1.349 -5.430 1.00 0.00 C ATOM 300 O VAL A 22 3.083 0.651 -6.290 1.00 0.00 O ATOM 301 CB VAL A 22 3.366 0.775 -3.144 1.00 0.00 C ATOM 302 CG1 VAL A 22 4.036 2.141 -3.164 1.00 0.00 C ATOM 303 CG2 VAL A 22 2.956 0.393 -1.730 1.00 0.00 C ATOM 0 H VAL A 22 2.310 -1.329 -4.167 1.00 0.00 H new ATOM 0 HA VAL A 22 1.351 1.365 -3.644 1.00 0.00 H new ATOM 0 HB VAL A 22 4.086 0.039 -3.500 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.897 2.134 -2.496 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.365 2.370 -4.178 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.326 2.899 -2.833 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.831 0.409 -1.080 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.217 1.104 -1.361 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.526 -0.608 -1.734 1.00 0.00 H new ATOM 313 N LEU A 23 2.278 2.638 -5.607 1.00 0.00 N ATOM 314 CA LEU A 23 2.611 3.324 -6.851 1.00 0.00 C ATOM 315 C LEU A 23 3.939 4.063 -6.727 1.00 0.00 C ATOM 316 O LEU A 23 4.596 4.352 -7.727 1.00 0.00 O ATOM 317 CB LEU A 23 1.500 4.307 -7.227 1.00 0.00 C ATOM 318 CG LEU A 23 0.070 3.780 -7.111 1.00 0.00 C ATOM 319 CD1 LEU A 23 -0.922 4.811 -7.628 1.00 0.00 C ATOM 320 CD2 LEU A 23 -0.078 2.468 -7.868 1.00 0.00 C ATOM 0 H LEU A 23 1.833 3.230 -4.905 1.00 0.00 H new ATOM 0 HA LEU A 23 2.706 2.574 -7.637 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.593 5.189 -6.594 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.663 4.633 -8.254 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.145 3.595 -6.058 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.935 4.419 -7.538 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.834 5.726 -7.043 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.709 5.028 -8.675 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.102 2.108 -7.774 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.156 2.627 -8.921 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.606 1.729 -7.452 1.00 0.00 H new ATOM 332 N TYR A 24 4.330 4.364 -5.494 1.00 0.00 N ATOM 333 CA TYR A 24 5.580 5.069 -5.238 1.00 0.00 C ATOM 334 C TYR A 24 6.137 4.711 -3.864 1.00 0.00 C ATOM 335 O TYR A 24 5.384 4.441 -2.928 1.00 0.00 O ATOM 336 CB TYR A 24 5.367 6.580 -5.338 1.00 0.00 C ATOM 337 CG TYR A 24 4.447 6.989 -6.465 1.00 0.00 C ATOM 338 CD1 TYR A 24 3.067 6.973 -6.303 1.00 0.00 C ATOM 339 CD2 TYR A 24 4.957 7.393 -7.693 1.00 0.00 C ATOM 340 CE1 TYR A 24 2.222 7.345 -7.330 1.00 0.00 C ATOM 341 CE2 TYR A 24 4.120 7.769 -8.726 1.00 0.00 C ATOM 342 CZ TYR A 24 2.753 7.742 -8.540 1.00 0.00 C ATOM 343 OH TYR A 24 1.915 8.115 -9.565 1.00 0.00 O ATOM 0 H TYR A 24 3.799 4.130 -4.655 1.00 0.00 H new ATOM 0 HA TYR A 24 6.303 4.760 -5.993 1.00 0.00 H new ATOM 0 HB2 TYR A 24 4.957 6.944 -4.396 1.00 0.00 H new ATOM 0 HB3 TYR A 24 6.333 7.066 -5.474 1.00 0.00 H new ATOM 0 HD1 TYR A 24 2.648 6.664 -5.357 1.00 0.00 H new ATOM 0 HD2 TYR A 24 6.026 7.413 -7.843 1.00 0.00 H new ATOM 0 HE1 TYR A 24 1.152 7.325 -7.187 1.00 0.00 H new ATOM 0 HE2 TYR A 24 4.533 8.082 -9.673 1.00 0.00 H new ATOM 0 HH TYR A 24 2.448 8.368 -10.348 1.00 0.00 H new ATOM 353 N ASP A 25 7.460 4.713 -3.750 1.00 0.00 N ATOM 354 CA ASP A 25 8.120 4.391 -2.490 1.00 0.00 C ATOM 355 C ASP A 25 7.894 5.495 -1.461 1.00 0.00 C ATOM 356 O ASP A 25 8.219 6.657 -1.701 1.00 0.00 O ATOM 357 CB ASP A 25 9.618 4.183 -2.712 1.00 0.00 C ATOM 358 CG ASP A 25 10.278 5.381 -3.365 1.00 0.00 C ATOM 359 OD1 ASP A 25 9.681 5.949 -4.304 1.00 0.00 O ATOM 360 OD2 ASP A 25 11.393 5.751 -2.939 1.00 0.00 O ATOM 0 H ASP A 25 8.097 4.934 -4.515 1.00 0.00 H new ATOM 0 HA ASP A 25 7.686 3.467 -2.107 1.00 0.00 H new ATOM 0 HB2 ASP A 25 10.100 3.983 -1.755 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.771 3.302 -3.336 1.00 0.00 H new ATOM 365 N TYR A 26 7.334 5.122 -0.315 1.00 0.00 N ATOM 366 CA TYR A 26 7.062 6.081 0.749 1.00 0.00 C ATOM 367 C TYR A 26 7.992 5.855 1.937 1.00 0.00 C ATOM 368 O TYR A 26 8.211 4.720 2.362 1.00 0.00 O ATOM 369 CB TYR A 26 5.604 5.973 1.201 1.00 0.00 C ATOM 370 CG TYR A 26 5.265 6.866 2.373 1.00 0.00 C ATOM 371 CD1 TYR A 26 5.207 8.246 2.225 1.00 0.00 C ATOM 372 CD2 TYR A 26 5.002 6.329 3.627 1.00 0.00 C ATOM 373 CE1 TYR A 26 4.898 9.066 3.294 1.00 0.00 C ATOM 374 CE2 TYR A 26 4.692 7.141 4.701 1.00 0.00 C ATOM 375 CZ TYR A 26 4.641 8.509 4.529 1.00 0.00 C ATOM 376 OH TYR A 26 4.332 9.322 5.595 1.00 0.00 O ATOM 0 H TYR A 26 7.060 4.163 -0.100 1.00 0.00 H new ATOM 0 HA TYR A 26 7.241 7.082 0.356 1.00 0.00 H new ATOM 0 HB2 TYR A 26 4.953 6.224 0.363 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.392 4.938 1.470 1.00 0.00 H new ATOM 0 HD1 TYR A 26 5.407 8.685 1.259 1.00 0.00 H new ATOM 0 HD2 TYR A 26 5.041 5.259 3.765 1.00 0.00 H new ATOM 0 HE1 TYR A 26 4.858 10.137 3.163 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.491 6.707 5.669 1.00 0.00 H new ATOM 0 HH TYR A 26 3.880 10.129 5.271 1.00 0.00 H new ATOM 386 N ASP A 27 8.536 6.944 2.470 1.00 0.00 N ATOM 387 CA ASP A 27 9.441 6.867 3.610 1.00 0.00 C ATOM 388 C ASP A 27 8.734 7.287 4.895 1.00 0.00 C ATOM 389 O ASP A 27 8.468 8.469 5.111 1.00 0.00 O ATOM 390 CB ASP A 27 10.667 7.752 3.376 1.00 0.00 C ATOM 391 CG ASP A 27 10.295 9.139 2.891 1.00 0.00 C ATOM 392 OD1 ASP A 27 9.552 9.240 1.892 1.00 0.00 O ATOM 393 OD2 ASP A 27 10.747 10.124 3.511 1.00 0.00 O ATOM 0 H ASP A 27 8.366 7.891 2.130 1.00 0.00 H new ATOM 0 HA ASP A 27 9.764 5.831 3.716 1.00 0.00 H new ATOM 0 HB2 ASP A 27 11.234 7.834 4.303 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.320 7.277 2.644 1.00 0.00 H new ATOM 398 N ALA A 28 8.431 6.310 5.744 1.00 0.00 N ATOM 399 CA ALA A 28 7.755 6.578 7.007 1.00 0.00 C ATOM 400 C ALA A 28 8.448 7.700 7.773 1.00 0.00 C ATOM 401 O ALA A 28 9.658 7.657 7.997 1.00 0.00 O ATOM 402 CB ALA A 28 7.699 5.315 7.854 1.00 0.00 C ATOM 0 H ALA A 28 8.643 5.326 5.580 1.00 0.00 H new ATOM 0 HA ALA A 28 6.737 6.899 6.785 1.00 0.00 H new ATOM 0 HB1 ALA A 28 7.191 5.530 8.794 1.00 0.00 H new ATOM 0 HB2 ALA A 28 7.153 4.540 7.316 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.712 4.969 8.059 1.00 0.00 H new ATOM 408 N ALA A 29 7.674 8.703 8.172 1.00 0.00 N ATOM 409 CA ALA A 29 8.214 9.836 8.914 1.00 0.00 C ATOM 410 C ALA A 29 8.396 9.490 10.388 1.00 0.00 C ATOM 411 O ALA A 29 9.278 10.027 11.056 1.00 0.00 O ATOM 412 CB ALA A 29 7.305 11.047 8.762 1.00 0.00 C ATOM 0 H ALA A 29 6.671 8.755 7.994 1.00 0.00 H new ATOM 0 HA ALA A 29 9.194 10.076 8.501 1.00 0.00 H new ATOM 0 HB1 ALA A 29 7.720 11.886 9.321 1.00 0.00 H new ATOM 0 HB2 ALA A 29 7.229 11.315 7.708 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.314 10.809 9.148 1.00 0.00 H new ATOM 418 N ASN A 30 7.555 8.591 10.889 1.00 0.00 N ATOM 419 CA ASN A 30 7.623 8.175 12.285 1.00 0.00 C ATOM 420 C ASN A 30 7.255 6.702 12.431 1.00 0.00 C ATOM 421 O ASN A 30 6.713 6.092 11.510 1.00 0.00 O ATOM 422 CB ASN A 30 6.688 9.033 13.140 1.00 0.00 C ATOM 423 CG ASN A 30 5.475 9.513 12.367 1.00 0.00 C ATOM 424 OD1 ASN A 30 5.048 10.659 12.510 1.00 0.00 O ATOM 425 ND2 ASN A 30 4.913 8.637 11.543 1.00 0.00 N ATOM 0 H ASN A 30 6.819 8.137 10.349 1.00 0.00 H new ATOM 0 HA ASN A 30 8.648 8.311 12.630 1.00 0.00 H new ATOM 0 HB2 ASN A 30 6.359 8.456 14.005 1.00 0.00 H new ATOM 0 HB3 ASN A 30 7.237 9.894 13.521 1.00 0.00 H new ATOM 0 HD21 ASN A 30 4.094 8.903 10.997 1.00 0.00 H new ATOM 0 HD22 ASN A 30 5.301 7.698 11.456 1.00 0.00 H new ATOM 432 N SER A 31 7.555 6.136 13.596 1.00 0.00 N ATOM 433 CA SER A 31 7.260 4.733 13.863 1.00 0.00 C ATOM 434 C SER A 31 5.834 4.389 13.444 1.00 0.00 C ATOM 435 O SER A 31 5.606 3.437 12.697 1.00 0.00 O ATOM 436 CB SER A 31 7.456 4.422 15.348 1.00 0.00 C ATOM 437 OG SER A 31 7.623 3.031 15.561 1.00 0.00 O ATOM 0 H SER A 31 8.002 6.628 14.370 1.00 0.00 H new ATOM 0 HA SER A 31 7.949 4.125 13.278 1.00 0.00 H new ATOM 0 HB2 SER A 31 8.328 4.958 15.723 1.00 0.00 H new ATOM 0 HB3 SER A 31 6.596 4.779 15.914 1.00 0.00 H new ATOM 0 HG SER A 31 7.748 2.859 16.518 1.00 0.00 H new ATOM 443 N THR A 32 4.875 5.171 13.931 1.00 0.00 N ATOM 444 CA THR A 32 3.471 4.950 13.609 1.00 0.00 C ATOM 445 C THR A 32 3.281 4.705 12.116 1.00 0.00 C ATOM 446 O THR A 32 2.401 3.948 11.710 1.00 0.00 O ATOM 447 CB THR A 32 2.602 6.147 14.036 1.00 0.00 C ATOM 448 OG1 THR A 32 3.222 7.373 13.632 1.00 0.00 O ATOM 449 CG2 THR A 32 2.391 6.153 15.543 1.00 0.00 C ATOM 0 H THR A 32 5.046 5.963 14.550 1.00 0.00 H new ATOM 0 HA THR A 32 3.155 4.066 14.162 1.00 0.00 H new ATOM 0 HB THR A 32 1.631 6.054 13.549 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.662 8.129 13.906 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.774 7.008 15.821 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.892 5.232 15.844 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.356 6.223 16.045 1.00 0.00 H new ATOM 457 N GLU A 33 4.113 5.351 11.305 1.00 0.00 N ATOM 458 CA GLU A 33 4.035 5.203 9.856 1.00 0.00 C ATOM 459 C GLU A 33 4.976 4.104 9.371 1.00 0.00 C ATOM 460 O GLU A 33 5.995 3.820 10.002 1.00 0.00 O ATOM 461 CB GLU A 33 4.377 6.525 9.167 1.00 0.00 C ATOM 462 CG GLU A 33 3.236 7.527 9.172 1.00 0.00 C ATOM 463 CD GLU A 33 3.659 8.896 8.675 1.00 0.00 C ATOM 464 OE1 GLU A 33 4.871 9.194 8.720 1.00 0.00 O ATOM 465 OE2 GLU A 33 2.779 9.669 8.241 1.00 0.00 O ATOM 0 H GLU A 33 4.848 5.981 11.626 1.00 0.00 H new ATOM 0 HA GLU A 33 3.014 4.922 9.599 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.241 6.969 9.661 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.667 6.323 8.136 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.426 7.152 8.547 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.842 7.618 10.184 1.00 0.00 H new ATOM 472 N LEU A 34 4.627 3.489 8.246 1.00 0.00 N ATOM 473 CA LEU A 34 5.440 2.421 7.674 1.00 0.00 C ATOM 474 C LEU A 34 5.965 2.814 6.297 1.00 0.00 C ATOM 475 O LEU A 34 5.307 3.543 5.556 1.00 0.00 O ATOM 476 CB LEU A 34 4.624 1.131 7.573 1.00 0.00 C ATOM 477 CG LEU A 34 4.708 0.188 8.773 1.00 0.00 C ATOM 478 CD1 LEU A 34 3.891 -1.070 8.521 1.00 0.00 C ATOM 479 CD2 LEU A 34 6.157 -0.166 9.073 1.00 0.00 C ATOM 0 H LEU A 34 3.787 3.711 7.712 1.00 0.00 H new ATOM 0 HA LEU A 34 6.292 2.254 8.333 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.578 1.397 7.418 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.949 0.588 6.686 1.00 0.00 H new ATOM 0 HG LEU A 34 4.293 0.699 9.642 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.963 -1.730 9.386 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.848 -0.800 8.356 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.276 -1.584 7.640 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.197 -0.838 9.930 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.599 -0.657 8.206 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.715 0.743 9.298 1.00 0.00 H new ATOM 491 N SER A 35 7.154 2.323 5.961 1.00 0.00 N ATOM 492 CA SER A 35 7.769 2.624 4.673 1.00 0.00 C ATOM 493 C SER A 35 7.201 1.728 3.577 1.00 0.00 C ATOM 494 O SER A 35 7.012 0.527 3.777 1.00 0.00 O ATOM 495 CB SER A 35 9.286 2.449 4.755 1.00 0.00 C ATOM 496 OG SER A 35 9.841 3.277 5.763 1.00 0.00 O ATOM 0 H SER A 35 7.710 1.715 6.562 1.00 0.00 H new ATOM 0 HA SER A 35 7.543 3.661 4.424 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.524 1.406 4.965 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.736 2.691 3.792 1.00 0.00 H new ATOM 0 HG SER A 35 10.812 3.146 5.797 1.00 0.00 H new ATOM 502 N LEU A 36 6.930 2.319 2.419 1.00 0.00 N ATOM 503 CA LEU A 36 6.383 1.575 1.290 1.00 0.00 C ATOM 504 C LEU A 36 7.342 1.602 0.104 1.00 0.00 C ATOM 505 O LEU A 36 8.050 2.586 -0.113 1.00 0.00 O ATOM 506 CB LEU A 36 5.029 2.157 0.878 1.00 0.00 C ATOM 507 CG LEU A 36 3.996 2.308 1.995 1.00 0.00 C ATOM 508 CD1 LEU A 36 2.658 2.756 1.427 1.00 0.00 C ATOM 509 CD2 LEU A 36 3.842 1.001 2.759 1.00 0.00 C ATOM 0 H LEU A 36 7.080 3.311 2.237 1.00 0.00 H new ATOM 0 HA LEU A 36 6.247 0.539 1.601 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.198 3.137 0.432 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.604 1.522 0.101 1.00 0.00 H new ATOM 0 HG LEU A 36 4.348 3.072 2.688 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.935 2.858 2.236 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.779 3.716 0.925 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.300 2.015 0.712 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.103 1.127 3.550 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.513 0.217 2.077 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.800 0.721 3.198 1.00 0.00 H new ATOM 521 N LEU A 37 7.360 0.516 -0.660 1.00 0.00 N ATOM 522 CA LEU A 37 8.231 0.415 -1.826 1.00 0.00 C ATOM 523 C LEU A 37 7.422 0.480 -3.118 1.00 0.00 C ATOM 524 O LEU A 37 6.241 0.134 -3.140 1.00 0.00 O ATOM 525 CB LEU A 37 9.032 -0.888 -1.778 1.00 0.00 C ATOM 526 CG LEU A 37 10.230 -0.904 -0.828 1.00 0.00 C ATOM 527 CD1 LEU A 37 10.636 -2.334 -0.506 1.00 0.00 C ATOM 528 CD2 LEU A 37 11.399 -0.139 -1.432 1.00 0.00 C ATOM 0 H LEU A 37 6.781 -0.307 -0.493 1.00 0.00 H new ATOM 0 HA LEU A 37 8.920 1.259 -1.808 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.357 -1.696 -1.494 1.00 0.00 H new ATOM 0 HB3 LEU A 37 9.388 -1.109 -2.784 1.00 0.00 H new ATOM 0 HG LEU A 37 9.940 -0.412 0.101 1.00 0.00 H new ATOM 0 HD11 LEU A 37 11.490 -2.326 0.171 1.00 0.00 H new ATOM 0 HD12 LEU A 37 9.802 -2.851 -0.032 1.00 0.00 H new ATOM 0 HD13 LEU A 37 10.908 -2.851 -1.426 1.00 0.00 H new ATOM 0 HD21 LEU A 37 12.243 -0.161 -0.743 1.00 0.00 H new ATOM 0 HD22 LEU A 37 11.689 -0.603 -2.375 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.103 0.895 -1.612 1.00 0.00 H new ATOM 540 N ALA A 38 8.066 0.925 -4.192 1.00 0.00 N ATOM 541 CA ALA A 38 7.408 1.031 -5.488 1.00 0.00 C ATOM 542 C ALA A 38 7.224 -0.342 -6.124 1.00 0.00 C ATOM 543 O ALA A 38 8.174 -1.117 -6.238 1.00 0.00 O ATOM 544 CB ALA A 38 8.205 1.940 -6.411 1.00 0.00 C ATOM 0 H ALA A 38 9.043 1.218 -4.190 1.00 0.00 H new ATOM 0 HA ALA A 38 6.420 1.465 -5.332 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.702 2.010 -7.376 1.00 0.00 H new ATOM 0 HB2 ALA A 38 8.280 2.933 -5.968 1.00 0.00 H new ATOM 0 HB3 ALA A 38 9.205 1.529 -6.552 1.00 0.00 H new ATOM 550 N ASP A 39 5.996 -0.637 -6.536 1.00 0.00 N ATOM 551 CA ASP A 39 5.687 -1.918 -7.162 1.00 0.00 C ATOM 552 C ASP A 39 5.637 -3.033 -6.122 1.00 0.00 C ATOM 553 O ASP A 39 6.166 -4.122 -6.341 1.00 0.00 O ATOM 554 CB ASP A 39 6.725 -2.250 -8.235 1.00 0.00 C ATOM 555 CG ASP A 39 7.136 -1.032 -9.039 1.00 0.00 C ATOM 556 OD1 ASP A 39 6.369 -0.047 -9.057 1.00 0.00 O ATOM 557 OD2 ASP A 39 8.225 -1.064 -9.651 1.00 0.00 O ATOM 0 H ASP A 39 5.199 -0.007 -6.448 1.00 0.00 H new ATOM 0 HA ASP A 39 4.706 -1.838 -7.630 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.606 -2.684 -7.762 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.319 -3.006 -8.908 1.00 0.00 H new ATOM 562 N GLU A 40 5.000 -2.752 -4.990 1.00 0.00 N ATOM 563 CA GLU A 40 4.884 -3.731 -3.916 1.00 0.00 C ATOM 564 C GLU A 40 3.471 -3.743 -3.340 1.00 0.00 C ATOM 565 O GLU A 40 2.875 -2.691 -3.105 1.00 0.00 O ATOM 566 CB GLU A 40 5.895 -3.428 -2.808 1.00 0.00 C ATOM 567 CG GLU A 40 5.347 -2.528 -1.714 1.00 0.00 C ATOM 568 CD GLU A 40 6.257 -2.462 -0.502 1.00 0.00 C ATOM 569 OE1 GLU A 40 7.226 -3.248 -0.446 1.00 0.00 O ATOM 570 OE2 GLU A 40 6.001 -1.625 0.388 1.00 0.00 O ATOM 0 H GLU A 40 4.557 -1.855 -4.793 1.00 0.00 H new ATOM 0 HA GLU A 40 5.096 -4.716 -4.333 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.226 -4.366 -2.363 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.774 -2.957 -3.248 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.205 -1.523 -2.112 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.366 -2.891 -1.408 1.00 0.00 H new ATOM 577 N VAL A 41 2.939 -4.940 -3.116 1.00 0.00 N ATOM 578 CA VAL A 41 1.596 -5.090 -2.568 1.00 0.00 C ATOM 579 C VAL A 41 1.640 -5.674 -1.160 1.00 0.00 C ATOM 580 O VAL A 41 2.094 -6.800 -0.958 1.00 0.00 O ATOM 581 CB VAL A 41 0.724 -5.993 -3.459 1.00 0.00 C ATOM 582 CG1 VAL A 41 1.547 -7.139 -4.027 1.00 0.00 C ATOM 583 CG2 VAL A 41 -0.470 -6.520 -2.677 1.00 0.00 C ATOM 0 H VAL A 41 3.418 -5.821 -3.306 1.00 0.00 H new ATOM 0 HA VAL A 41 1.155 -4.094 -2.532 1.00 0.00 H new ATOM 0 HB VAL A 41 0.350 -5.398 -4.292 1.00 0.00 H new ATOM 0 HG11 VAL A 41 0.913 -7.766 -4.654 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.366 -6.738 -4.625 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.953 -7.735 -3.210 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.075 -7.156 -3.322 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.119 -7.099 -1.823 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.072 -5.683 -2.325 1.00 0.00 H new ATOM 593 N ILE A 42 1.163 -4.900 -0.190 1.00 0.00 N ATOM 594 CA ILE A 42 1.146 -5.341 1.199 1.00 0.00 C ATOM 595 C ILE A 42 -0.282 -5.475 1.716 1.00 0.00 C ATOM 596 O ILE A 42 -1.242 -5.160 1.011 1.00 0.00 O ATOM 597 CB ILE A 42 1.921 -4.369 2.108 1.00 0.00 C ATOM 598 CG1 ILE A 42 1.335 -2.960 2.000 1.00 0.00 C ATOM 599 CG2 ILE A 42 3.397 -4.364 1.742 1.00 0.00 C ATOM 600 CD1 ILE A 42 1.704 -2.061 3.160 1.00 0.00 C ATOM 0 H ILE A 42 0.784 -3.965 -0.341 1.00 0.00 H new ATOM 0 HA ILE A 42 1.632 -6.316 1.226 1.00 0.00 H new ATOM 0 HB ILE A 42 1.824 -4.705 3.140 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.679 -2.502 1.072 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.249 -3.031 1.937 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.931 -3.672 2.393 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.806 -5.367 1.865 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.514 -4.049 0.705 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.254 -1.079 3.016 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.336 -2.496 4.089 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.788 -1.960 3.211 1.00 0.00 H new ATOM 612 N THR A 43 -0.417 -5.942 2.953 1.00 0.00 N ATOM 613 CA THR A 43 -1.728 -6.117 3.566 1.00 0.00 C ATOM 614 C THR A 43 -2.200 -4.828 4.229 1.00 0.00 C ATOM 615 O THR A 43 -1.588 -4.349 5.184 1.00 0.00 O ATOM 616 CB THR A 43 -1.712 -7.245 4.614 1.00 0.00 C ATOM 617 OG1 THR A 43 -1.580 -8.515 3.966 1.00 0.00 O ATOM 618 CG2 THR A 43 -2.984 -7.226 5.449 1.00 0.00 C ATOM 0 H THR A 43 0.366 -6.206 3.551 1.00 0.00 H new ATOM 0 HA THR A 43 -2.418 -6.385 2.766 1.00 0.00 H new ATOM 0 HB THR A 43 -0.860 -7.085 5.274 1.00 0.00 H new ATOM 0 HG1 THR A 43 -1.569 -9.226 4.640 1.00 0.00 H new ATOM 0 HG21 THR A 43 -2.950 -8.032 6.182 1.00 0.00 H new ATOM 0 HG22 THR A 43 -3.066 -6.269 5.965 1.00 0.00 H new ATOM 0 HG23 THR A 43 -3.848 -7.363 4.799 1.00 0.00 H new ATOM 626 N VAL A 44 -3.294 -4.271 3.718 1.00 0.00 N ATOM 627 CA VAL A 44 -3.850 -3.039 4.263 1.00 0.00 C ATOM 628 C VAL A 44 -5.219 -3.282 4.887 1.00 0.00 C ATOM 629 O VAL A 44 -5.961 -4.166 4.457 1.00 0.00 O ATOM 630 CB VAL A 44 -3.978 -1.953 3.178 1.00 0.00 C ATOM 631 CG1 VAL A 44 -2.621 -1.654 2.559 1.00 0.00 C ATOM 632 CG2 VAL A 44 -4.976 -2.380 2.112 1.00 0.00 C ATOM 0 H VAL A 44 -3.812 -4.654 2.927 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.160 -2.694 5.033 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.347 -1.040 3.645 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.731 -0.885 1.795 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.938 -1.302 3.332 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.220 -2.561 2.106 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.054 -1.601 1.354 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.638 -3.306 1.647 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.952 -2.539 2.570 1.00 0.00 H new ATOM 642 N PHE A 45 -5.550 -2.491 5.902 1.00 0.00 N ATOM 643 CA PHE A 45 -6.831 -2.621 6.587 1.00 0.00 C ATOM 644 C PHE A 45 -7.158 -1.355 7.373 1.00 0.00 C ATOM 645 O PHE A 45 -6.267 -0.692 7.902 1.00 0.00 O ATOM 646 CB PHE A 45 -6.811 -3.828 7.527 1.00 0.00 C ATOM 647 CG PHE A 45 -5.620 -3.855 8.442 1.00 0.00 C ATOM 648 CD1 PHE A 45 -4.351 -4.098 7.941 1.00 0.00 C ATOM 649 CD2 PHE A 45 -5.769 -3.639 9.802 1.00 0.00 C ATOM 650 CE1 PHE A 45 -3.253 -4.124 8.780 1.00 0.00 C ATOM 651 CE2 PHE A 45 -4.675 -3.663 10.646 1.00 0.00 C ATOM 652 CZ PHE A 45 -3.415 -3.907 10.134 1.00 0.00 C ATOM 0 H PHE A 45 -4.949 -1.753 6.269 1.00 0.00 H new ATOM 0 HA PHE A 45 -7.604 -2.770 5.833 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -7.721 -3.826 8.128 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -6.823 -4.742 6.933 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.219 -4.269 6.883 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.752 -3.450 10.208 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.269 -4.314 8.377 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -4.805 -3.491 11.704 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.559 -3.928 10.792 1.00 0.00 H new ATOM 662 N SER A 46 -8.444 -1.025 7.443 1.00 0.00 N ATOM 663 CA SER A 46 -8.890 0.164 8.160 1.00 0.00 C ATOM 664 C SER A 46 -9.007 -0.115 9.655 1.00 0.00 C ATOM 665 O SER A 46 -9.351 -1.223 10.066 1.00 0.00 O ATOM 666 CB SER A 46 -10.237 0.641 7.611 1.00 0.00 C ATOM 667 OG SER A 46 -10.241 0.635 6.194 1.00 0.00 O ATOM 0 H SER A 46 -9.195 -1.564 7.012 1.00 0.00 H new ATOM 0 HA SER A 46 -8.147 0.948 8.012 1.00 0.00 H new ATOM 0 HB2 SER A 46 -11.034 -0.003 7.983 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.446 1.647 7.974 1.00 0.00 H new ATOM 0 HG SER A 46 -11.113 0.942 5.868 1.00 0.00 H new ATOM 673 N VAL A 47 -8.718 0.899 10.464 1.00 0.00 N ATOM 674 CA VAL A 47 -8.791 0.765 11.914 1.00 0.00 C ATOM 675 C VAL A 47 -9.554 1.929 12.536 1.00 0.00 C ATOM 676 O VAL A 47 -9.337 3.088 12.180 1.00 0.00 O ATOM 677 CB VAL A 47 -7.387 0.690 12.543 1.00 0.00 C ATOM 678 CG1 VAL A 47 -7.481 0.345 14.021 1.00 0.00 C ATOM 679 CG2 VAL A 47 -6.526 -0.323 11.804 1.00 0.00 C ATOM 0 H VAL A 47 -8.431 1.823 10.140 1.00 0.00 H new ATOM 0 HA VAL A 47 -9.322 -0.164 12.119 1.00 0.00 H new ATOM 0 HB VAL A 47 -6.915 1.668 12.453 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -6.479 0.297 14.448 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -8.059 1.111 14.538 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.973 -0.621 14.139 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.538 -0.363 12.262 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.992 -1.307 11.860 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.430 -0.026 10.760 1.00 0.00 H new ATOM 689 N VAL A 48 -10.447 1.614 13.469 1.00 0.00 N ATOM 690 CA VAL A 48 -11.241 2.635 14.143 1.00 0.00 C ATOM 691 C VAL A 48 -10.368 3.800 14.596 1.00 0.00 C ATOM 692 O VAL A 48 -9.282 3.602 15.137 1.00 0.00 O ATOM 693 CB VAL A 48 -11.979 2.056 15.364 1.00 0.00 C ATOM 694 CG1 VAL A 48 -12.429 3.172 16.295 1.00 0.00 C ATOM 695 CG2 VAL A 48 -13.164 1.212 14.919 1.00 0.00 C ATOM 0 H VAL A 48 -10.639 0.660 13.775 1.00 0.00 H new ATOM 0 HA VAL A 48 -11.974 2.994 13.421 1.00 0.00 H new ATOM 0 HB VAL A 48 -11.290 1.414 15.912 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -12.949 2.744 17.152 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -11.559 3.731 16.640 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -13.102 3.842 15.761 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -13.674 0.811 15.795 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -13.856 1.830 14.347 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -12.812 0.390 14.296 1.00 0.00 H new ATOM 705 N GLY A 49 -10.853 5.018 14.370 1.00 0.00 N ATOM 706 CA GLY A 49 -10.104 6.198 14.762 1.00 0.00 C ATOM 707 C GLY A 49 -8.955 6.495 13.819 1.00 0.00 C ATOM 708 O GLY A 49 -7.973 7.127 14.207 1.00 0.00 O ATOM 0 H GLY A 49 -11.750 5.208 13.923 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.775 7.056 14.794 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.715 6.059 15.771 1.00 0.00 H new ATOM 712 N MET A 50 -9.076 6.036 12.578 1.00 0.00 N ATOM 713 CA MET A 50 -8.038 6.256 11.577 1.00 0.00 C ATOM 714 C MET A 50 -8.539 7.176 10.468 1.00 0.00 C ATOM 715 O MET A 50 -9.744 7.311 10.257 1.00 0.00 O ATOM 716 CB MET A 50 -7.582 4.922 10.982 1.00 0.00 C ATOM 717 CG MET A 50 -6.581 5.073 9.849 1.00 0.00 C ATOM 718 SD MET A 50 -6.046 3.486 9.179 1.00 0.00 S ATOM 719 CE MET A 50 -4.398 3.365 9.871 1.00 0.00 C ATOM 0 H MET A 50 -9.882 5.510 12.241 1.00 0.00 H new ATOM 0 HA MET A 50 -7.191 6.735 12.068 1.00 0.00 H new ATOM 0 HB2 MET A 50 -7.137 4.315 11.770 1.00 0.00 H new ATOM 0 HB3 MET A 50 -8.454 4.380 10.616 1.00 0.00 H new ATOM 0 HG2 MET A 50 -7.027 5.668 9.052 1.00 0.00 H new ATOM 0 HG3 MET A 50 -5.711 5.623 10.208 1.00 0.00 H new ATOM 0 HE1 MET A 50 -4.017 2.354 9.728 1.00 0.00 H new ATOM 0 HE2 MET A 50 -3.740 4.075 9.370 1.00 0.00 H new ATOM 0 HE3 MET A 50 -4.433 3.593 10.936 1.00 0.00 H new ATOM 729 N ASP A 51 -7.606 7.806 9.763 1.00 0.00 N ATOM 730 CA ASP A 51 -7.953 8.713 8.675 1.00 0.00 C ATOM 731 C ASP A 51 -8.291 7.936 7.406 1.00 0.00 C ATOM 732 O ASP A 51 -7.756 6.853 7.169 1.00 0.00 O ATOM 733 CB ASP A 51 -6.801 9.682 8.403 1.00 0.00 C ATOM 734 CG ASP A 51 -5.953 9.933 9.634 1.00 0.00 C ATOM 735 OD1 ASP A 51 -6.499 10.442 10.635 1.00 0.00 O ATOM 736 OD2 ASP A 51 -4.744 9.623 9.596 1.00 0.00 O ATOM 0 H ASP A 51 -6.604 7.705 9.925 1.00 0.00 H new ATOM 0 HA ASP A 51 -8.833 9.282 8.976 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -6.172 9.281 7.608 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -7.204 10.629 8.044 1.00 0.00 H new ATOM 741 N SER A 52 -9.182 8.496 6.595 1.00 0.00 N ATOM 742 CA SER A 52 -9.595 7.853 5.353 1.00 0.00 C ATOM 743 C SER A 52 -8.450 7.832 4.345 1.00 0.00 C ATOM 744 O SER A 52 -8.408 6.983 3.454 1.00 0.00 O ATOM 745 CB SER A 52 -10.802 8.579 4.755 1.00 0.00 C ATOM 746 OG SER A 52 -11.810 8.782 5.731 1.00 0.00 O ATOM 0 H SER A 52 -9.632 9.393 6.775 1.00 0.00 H new ATOM 0 HA SER A 52 -9.874 6.824 5.581 1.00 0.00 H new ATOM 0 HB2 SER A 52 -10.487 9.540 4.347 1.00 0.00 H new ATOM 0 HB3 SER A 52 -11.206 7.998 3.926 1.00 0.00 H new ATOM 0 HG SER A 52 -12.570 9.249 5.325 1.00 0.00 H new ATOM 752 N ASP A 53 -7.523 8.771 4.493 1.00 0.00 N ATOM 753 CA ASP A 53 -6.376 8.861 3.597 1.00 0.00 C ATOM 754 C ASP A 53 -5.201 8.051 4.136 1.00 0.00 C ATOM 755 O ASP A 53 -4.058 8.246 3.722 1.00 0.00 O ATOM 756 CB ASP A 53 -5.961 10.321 3.410 1.00 0.00 C ATOM 757 CG ASP A 53 -7.017 11.134 2.686 1.00 0.00 C ATOM 758 OD1 ASP A 53 -7.243 10.877 1.484 1.00 0.00 O ATOM 759 OD2 ASP A 53 -7.617 12.027 3.320 1.00 0.00 O ATOM 0 H ASP A 53 -7.543 9.481 5.225 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.667 8.448 2.631 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.767 10.768 4.385 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -5.027 10.362 2.849 1.00 0.00 H new ATOM 764 N TRP A 54 -5.489 7.145 5.063 1.00 0.00 N ATOM 765 CA TRP A 54 -4.456 6.306 5.660 1.00 0.00 C ATOM 766 C TRP A 54 -5.031 4.964 6.100 1.00 0.00 C ATOM 767 O TRP A 54 -6.094 4.906 6.719 1.00 0.00 O ATOM 768 CB TRP A 54 -3.819 7.019 6.854 1.00 0.00 C ATOM 769 CG TRP A 54 -3.017 8.224 6.468 1.00 0.00 C ATOM 770 CD1 TRP A 54 -3.493 9.479 6.214 1.00 0.00 C ATOM 771 CD2 TRP A 54 -1.598 8.288 6.289 1.00 0.00 C ATOM 772 NE1 TRP A 54 -2.456 10.319 5.889 1.00 0.00 N ATOM 773 CE2 TRP A 54 -1.283 9.613 5.929 1.00 0.00 C ATOM 774 CE3 TRP A 54 -0.562 7.356 6.401 1.00 0.00 C ATOM 775 CZ2 TRP A 54 0.024 10.026 5.679 1.00 0.00 C ATOM 776 CZ3 TRP A 54 0.733 7.767 6.153 1.00 0.00 C ATOM 777 CH2 TRP A 54 1.017 9.092 5.796 1.00 0.00 C ATOM 0 H TRP A 54 -6.430 6.972 5.418 1.00 0.00 H new ATOM 0 HA TRP A 54 -3.691 6.122 4.906 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -4.603 7.321 7.548 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -3.175 6.318 7.385 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.532 9.768 6.262 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -2.545 11.308 5.656 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.771 6.333 6.677 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.245 11.046 5.403 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.541 7.055 6.236 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.041 9.382 5.609 1.00 0.00 H new ATOM 788 N LEU A 55 -4.322 3.888 5.777 1.00 0.00 N ATOM 789 CA LEU A 55 -4.762 2.545 6.140 1.00 0.00 C ATOM 790 C LEU A 55 -3.739 1.862 7.041 1.00 0.00 C ATOM 791 O LEU A 55 -2.689 2.427 7.345 1.00 0.00 O ATOM 792 CB LEU A 55 -4.993 1.705 4.882 1.00 0.00 C ATOM 793 CG LEU A 55 -6.400 1.760 4.287 1.00 0.00 C ATOM 794 CD1 LEU A 55 -6.387 1.285 2.842 1.00 0.00 C ATOM 795 CD2 LEU A 55 -7.362 0.922 5.117 1.00 0.00 C ATOM 0 H LEU A 55 -3.440 3.919 5.265 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.700 2.632 6.688 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.285 2.028 4.119 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.759 0.666 5.115 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.742 2.795 4.305 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.397 1.331 2.435 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.729 1.925 2.254 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.025 0.258 2.800 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.359 0.972 4.679 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.024 -0.114 5.131 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.393 1.307 6.136 1.00 0.00 H new ATOM 807 N MET A 56 -4.053 0.641 7.464 1.00 0.00 N ATOM 808 CA MET A 56 -3.159 -0.120 8.328 1.00 0.00 C ATOM 809 C MET A 56 -2.323 -1.104 7.514 1.00 0.00 C ATOM 810 O MET A 56 -2.801 -2.171 7.131 1.00 0.00 O ATOM 811 CB MET A 56 -3.961 -0.873 9.391 1.00 0.00 C ATOM 812 CG MET A 56 -3.209 -1.063 10.699 1.00 0.00 C ATOM 813 SD MET A 56 -2.715 0.500 11.450 1.00 0.00 S ATOM 814 CE MET A 56 -1.068 0.093 12.025 1.00 0.00 C ATOM 0 H MET A 56 -4.919 0.159 7.222 1.00 0.00 H new ATOM 0 HA MET A 56 -2.486 0.582 8.820 1.00 0.00 H new ATOM 0 HB2 MET A 56 -4.886 -0.331 9.589 1.00 0.00 H new ATOM 0 HB3 MET A 56 -4.242 -1.850 8.998 1.00 0.00 H new ATOM 0 HG2 MET A 56 -3.838 -1.615 11.398 1.00 0.00 H new ATOM 0 HG3 MET A 56 -2.323 -1.671 10.519 1.00 0.00 H new ATOM 0 HE1 MET A 56 -0.531 1.010 12.269 1.00 0.00 H new ATOM 0 HE2 MET A 56 -1.138 -0.534 12.914 1.00 0.00 H new ATOM 0 HE3 MET A 56 -0.532 -0.444 11.243 1.00 0.00 H new ATOM 824 N GLY A 57 -1.072 -0.736 7.253 1.00 0.00 N ATOM 825 CA GLY A 57 -0.191 -1.597 6.486 1.00 0.00 C ATOM 826 C GLY A 57 0.635 -2.513 7.366 1.00 0.00 C ATOM 827 O GLY A 57 1.071 -2.118 8.447 1.00 0.00 O ATOM 0 H GLY A 57 -0.653 0.142 7.559 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.785 -2.198 5.797 1.00 0.00 H new ATOM 0 HA3 GLY A 57 0.475 -0.983 5.880 1.00 0.00 H new ATOM 831 N GLU A 58 0.849 -3.741 6.903 1.00 0.00 N ATOM 832 CA GLU A 58 1.627 -4.716 7.658 1.00 0.00 C ATOM 833 C GLU A 58 2.683 -5.373 6.774 1.00 0.00 C ATOM 834 O GLU A 58 2.359 -6.149 5.875 1.00 0.00 O ATOM 835 CB GLU A 58 0.707 -5.785 8.252 1.00 0.00 C ATOM 836 CG GLU A 58 1.440 -6.828 9.079 1.00 0.00 C ATOM 837 CD GLU A 58 0.624 -8.091 9.282 1.00 0.00 C ATOM 838 OE1 GLU A 58 -0.253 -8.093 10.171 1.00 0.00 O ATOM 839 OE2 GLU A 58 0.863 -9.075 8.552 1.00 0.00 O ATOM 0 H GLU A 58 0.495 -4.084 6.010 1.00 0.00 H new ATOM 0 HA GLU A 58 2.133 -4.190 8.468 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.043 -5.300 8.876 1.00 0.00 H new ATOM 0 HB3 GLU A 58 0.174 -6.284 7.443 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.379 -7.082 8.587 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.693 -6.404 10.050 1.00 0.00 H new ATOM 846 N ARG A 59 3.946 -5.055 7.036 1.00 0.00 N ATOM 847 CA ARG A 59 5.050 -5.611 6.263 1.00 0.00 C ATOM 848 C ARG A 59 5.884 -6.563 7.115 1.00 0.00 C ATOM 849 O ARG A 59 6.598 -6.137 8.023 1.00 0.00 O ATOM 850 CB ARG A 59 5.935 -4.490 5.717 1.00 0.00 C ATOM 851 CG ARG A 59 6.615 -4.835 4.402 1.00 0.00 C ATOM 852 CD ARG A 59 7.390 -3.651 3.848 1.00 0.00 C ATOM 853 NE ARG A 59 8.648 -3.438 4.559 1.00 0.00 N ATOM 854 CZ ARG A 59 9.429 -2.381 4.371 1.00 0.00 C ATOM 855 NH1 ARG A 59 9.083 -1.444 3.499 1.00 0.00 N ATOM 856 NH2 ARG A 59 10.559 -2.258 5.056 1.00 0.00 N ATOM 0 H ARG A 59 4.231 -4.415 7.778 1.00 0.00 H new ATOM 0 HA ARG A 59 4.630 -6.171 5.428 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.329 -3.595 5.579 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.697 -4.247 6.457 1.00 0.00 H new ATOM 0 HG2 ARG A 59 7.292 -5.676 4.551 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.866 -5.153 3.676 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.595 -3.815 2.790 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.777 -2.752 3.918 1.00 0.00 H new ATOM 0 HE ARG A 59 8.943 -4.140 5.238 1.00 0.00 H new ATOM 0 HH11 ARG A 59 8.215 -1.534 2.971 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.685 -0.633 3.356 1.00 0.00 H new ATOM 0 HH21 ARG A 59 10.829 -2.976 5.728 1.00 0.00 H new ATOM 0 HH22 ARG A 59 11.158 -1.445 4.910 1.00 0.00 H new ATOM 870 N GLY A 60 5.789 -7.855 6.816 1.00 0.00 N ATOM 871 CA GLY A 60 6.539 -8.847 7.564 1.00 0.00 C ATOM 872 C GLY A 60 6.231 -8.811 9.048 1.00 0.00 C ATOM 873 O GLY A 60 5.198 -9.315 9.486 1.00 0.00 O ATOM 0 H GLY A 60 5.206 -8.232 6.069 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.313 -9.839 7.173 1.00 0.00 H new ATOM 0 HA3 GLY A 60 7.606 -8.681 7.414 1.00 0.00 H new ATOM 877 N ASN A 61 7.129 -8.213 9.823 1.00 0.00 N ATOM 878 CA ASN A 61 6.949 -8.114 11.267 1.00 0.00 C ATOM 879 C ASN A 61 6.854 -6.656 11.705 1.00 0.00 C ATOM 880 O ASN A 61 7.455 -6.258 12.703 1.00 0.00 O ATOM 881 CB ASN A 61 8.104 -8.804 11.995 1.00 0.00 C ATOM 882 CG ASN A 61 7.909 -10.304 12.099 1.00 0.00 C ATOM 883 OD1 ASN A 61 8.690 -11.082 11.552 1.00 0.00 O ATOM 884 ND2 ASN A 61 6.862 -10.716 12.805 1.00 0.00 N ATOM 0 H ASN A 61 7.989 -7.789 9.475 1.00 0.00 H new ATOM 0 HA ASN A 61 6.016 -8.614 11.527 1.00 0.00 H new ATOM 0 HB2 ASN A 61 9.036 -8.597 11.469 1.00 0.00 H new ATOM 0 HB3 ASN A 61 8.202 -8.383 12.996 1.00 0.00 H new ATOM 0 HD21 ASN A 61 6.679 -11.714 12.911 1.00 0.00 H new ATOM 0 HD22 ASN A 61 6.241 -10.035 13.241 1.00 0.00 H new ATOM 891 N GLN A 62 6.096 -5.865 10.953 1.00 0.00 N ATOM 892 CA GLN A 62 5.923 -4.451 11.264 1.00 0.00 C ATOM 893 C GLN A 62 4.485 -4.010 11.013 1.00 0.00 C ATOM 894 O GLN A 62 3.738 -4.672 10.292 1.00 0.00 O ATOM 895 CB GLN A 62 6.883 -3.603 10.428 1.00 0.00 C ATOM 896 CG GLN A 62 8.328 -3.683 10.891 1.00 0.00 C ATOM 897 CD GLN A 62 9.165 -2.519 10.399 1.00 0.00 C ATOM 898 OE1 GLN A 62 9.162 -1.442 10.995 1.00 0.00 O ATOM 899 NE2 GLN A 62 9.888 -2.729 9.305 1.00 0.00 N ATOM 0 H GLN A 62 5.592 -6.179 10.124 1.00 0.00 H new ATOM 0 HA GLN A 62 6.148 -4.307 12.321 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.826 -3.924 9.388 1.00 0.00 H new ATOM 0 HB3 GLN A 62 6.557 -2.563 10.460 1.00 0.00 H new ATOM 0 HG2 GLN A 62 8.355 -3.710 11.980 1.00 0.00 H new ATOM 0 HG3 GLN A 62 8.767 -4.616 10.538 1.00 0.00 H new ATOM 0 HE21 GLN A 62 9.861 -3.638 8.842 1.00 0.00 H new ATOM 0 HE22 GLN A 62 10.470 -1.982 8.927 1.00 0.00 H new ATOM 908 N LYS A 63 4.102 -2.888 11.613 1.00 0.00 N ATOM 909 CA LYS A 63 2.754 -2.357 11.455 1.00 0.00 C ATOM 910 C LYS A 63 2.749 -0.837 11.583 1.00 0.00 C ATOM 911 O LYS A 63 3.465 -0.272 12.409 1.00 0.00 O ATOM 912 CB LYS A 63 1.817 -2.970 12.498 1.00 0.00 C ATOM 913 CG LYS A 63 1.644 -4.472 12.353 1.00 0.00 C ATOM 914 CD LYS A 63 0.439 -4.972 13.132 1.00 0.00 C ATOM 915 CE LYS A 63 -0.843 -4.833 12.326 1.00 0.00 C ATOM 916 NZ LYS A 63 -1.034 -5.972 11.386 1.00 0.00 N ATOM 0 H LYS A 63 4.707 -2.329 12.214 1.00 0.00 H new ATOM 0 HA LYS A 63 2.401 -2.621 10.458 1.00 0.00 H new ATOM 0 HB2 LYS A 63 2.203 -2.752 13.494 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.841 -2.491 12.423 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.528 -4.726 11.299 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.542 -4.978 12.706 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.588 -6.017 13.403 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.348 -4.411 14.062 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.694 -4.776 13.005 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.819 -3.899 11.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.392 -5.616 10.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.125 -6.454 11.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.719 -6.643 11.788 1.00 0.00 H new ATOM 930 N GLY A 64 1.937 -0.181 10.760 1.00 0.00 N ATOM 931 CA GLY A 64 1.854 1.268 10.799 1.00 0.00 C ATOM 932 C GLY A 64 0.824 1.816 9.830 1.00 0.00 C ATOM 933 O GLY A 64 0.061 1.059 9.230 1.00 0.00 O ATOM 0 H GLY A 64 1.335 -0.626 10.067 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.603 1.587 11.810 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.831 1.691 10.564 1.00 0.00 H new ATOM 937 N LYS A 65 0.801 3.135 9.678 1.00 0.00 N ATOM 938 CA LYS A 65 -0.143 3.785 8.777 1.00 0.00 C ATOM 939 C LYS A 65 0.423 3.865 7.362 1.00 0.00 C ATOM 940 O LYS A 65 1.629 4.023 7.173 1.00 0.00 O ATOM 941 CB LYS A 65 -0.478 5.190 9.283 1.00 0.00 C ATOM 942 CG LYS A 65 -0.978 5.217 10.717 1.00 0.00 C ATOM 943 CD LYS A 65 -1.924 6.382 10.956 1.00 0.00 C ATOM 944 CE LYS A 65 -1.317 7.697 10.492 1.00 0.00 C ATOM 945 NZ LYS A 65 -1.897 8.862 11.216 1.00 0.00 N ATOM 0 H LYS A 65 1.426 3.776 10.167 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.054 3.187 8.753 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.411 5.817 9.205 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -1.236 5.630 8.634 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -1.488 4.281 10.943 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.130 5.290 11.398 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -2.861 6.206 10.427 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -2.164 6.445 12.017 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.238 7.674 10.647 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.483 7.816 9.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.231 9.660 11.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.793 9.139 10.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -2.072 8.602 12.208 1.00 0.00 H new ATOM 959 N VAL A 66 -0.457 3.755 6.371 1.00 0.00 N ATOM 960 CA VAL A 66 -0.045 3.817 4.974 1.00 0.00 C ATOM 961 C VAL A 66 -0.942 4.759 4.178 1.00 0.00 C ATOM 962 O VAL A 66 -2.169 4.693 4.248 1.00 0.00 O ATOM 963 CB VAL A 66 -0.072 2.423 4.318 1.00 0.00 C ATOM 964 CG1 VAL A 66 1.053 1.556 4.861 1.00 0.00 C ATOM 965 CG2 VAL A 66 -1.423 1.759 4.537 1.00 0.00 C ATOM 0 H VAL A 66 -1.459 3.623 6.510 1.00 0.00 H new ATOM 0 HA VAL A 66 0.977 4.196 4.962 1.00 0.00 H new ATOM 0 HB VAL A 66 0.079 2.541 3.245 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.018 0.575 4.386 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.012 2.028 4.648 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.937 1.442 5.939 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.425 0.775 4.067 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.606 1.651 5.606 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.207 2.374 4.095 1.00 0.00 H new ATOM 975 N PRO A 67 -0.317 5.656 3.402 1.00 0.00 N ATOM 976 CA PRO A 67 -1.039 6.628 2.576 1.00 0.00 C ATOM 977 C PRO A 67 -1.761 5.971 1.404 1.00 0.00 C ATOM 978 O PRO A 67 -1.133 5.342 0.551 1.00 0.00 O ATOM 979 CB PRO A 67 0.068 7.556 2.070 1.00 0.00 C ATOM 980 CG PRO A 67 1.303 6.725 2.102 1.00 0.00 C ATOM 981 CD PRO A 67 1.144 5.791 3.270 1.00 0.00 C ATOM 0 HA PRO A 67 -1.819 7.140 3.139 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -0.144 7.912 1.062 1.00 0.00 H new ATOM 0 HB3 PRO A 67 0.167 8.437 2.704 1.00 0.00 H new ATOM 0 HG2 PRO A 67 1.424 6.170 1.172 1.00 0.00 H new ATOM 0 HG3 PRO A 67 2.190 7.348 2.219 1.00 0.00 H new ATOM 0 HD2 PRO A 67 1.621 4.829 3.083 1.00 0.00 H new ATOM 0 HD3 PRO A 67 1.593 6.199 4.175 1.00 0.00 H new ATOM 989 N ILE A 68 -3.080 6.121 1.368 1.00 0.00 N ATOM 990 CA ILE A 68 -3.885 5.543 0.300 1.00 0.00 C ATOM 991 C ILE A 68 -3.516 6.143 -1.053 1.00 0.00 C ATOM 992 O ILE A 68 -3.563 5.465 -2.080 1.00 0.00 O ATOM 993 CB ILE A 68 -5.390 5.757 0.550 1.00 0.00 C ATOM 994 CG1 ILE A 68 -5.891 4.797 1.631 1.00 0.00 C ATOM 995 CG2 ILE A 68 -6.174 5.566 -0.740 1.00 0.00 C ATOM 996 CD1 ILE A 68 -5.715 5.325 3.037 1.00 0.00 C ATOM 0 H ILE A 68 -3.614 6.638 2.066 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.675 4.473 0.290 1.00 0.00 H new ATOM 0 HB ILE A 68 -5.544 6.779 0.898 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.947 4.589 1.459 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -5.360 3.850 1.538 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -7.236 5.720 -0.547 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.832 6.286 -1.484 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -6.017 4.555 -1.115 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -6.092 4.592 3.751 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.657 5.507 3.228 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -6.269 6.257 3.148 1.00 0.00 H new ATOM 1008 N THR A 69 -3.147 7.421 -1.046 1.00 0.00 N ATOM 1009 CA THR A 69 -2.769 8.113 -2.272 1.00 0.00 C ATOM 1010 C THR A 69 -1.591 7.424 -2.951 1.00 0.00 C ATOM 1011 O THR A 69 -1.304 7.674 -4.122 1.00 0.00 O ATOM 1012 CB THR A 69 -2.400 9.583 -1.996 1.00 0.00 C ATOM 1013 OG1 THR A 69 -1.546 9.666 -0.849 1.00 0.00 O ATOM 1014 CG2 THR A 69 -3.649 10.421 -1.767 1.00 0.00 C ATOM 0 H THR A 69 -3.102 7.997 -0.205 1.00 0.00 H new ATOM 0 HA THR A 69 -3.635 8.081 -2.933 1.00 0.00 H new ATOM 0 HB THR A 69 -1.876 9.973 -2.868 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.614 9.747 -1.140 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.363 11.455 -1.574 1.00 0.00 H new ATOM 0 HG22 THR A 69 -4.283 10.379 -2.653 1.00 0.00 H new ATOM 0 HG23 THR A 69 -4.197 10.030 -0.910 1.00 0.00 H new ATOM 1022 N TYR A 70 -0.912 6.556 -2.210 1.00 0.00 N ATOM 1023 CA TYR A 70 0.237 5.832 -2.741 1.00 0.00 C ATOM 1024 C TYR A 70 -0.118 4.374 -3.018 1.00 0.00 C ATOM 1025 O TYR A 70 0.653 3.641 -3.639 1.00 0.00 O ATOM 1026 CB TYR A 70 1.410 5.905 -1.762 1.00 0.00 C ATOM 1027 CG TYR A 70 2.060 7.269 -1.697 1.00 0.00 C ATOM 1028 CD1 TYR A 70 1.312 8.404 -1.410 1.00 0.00 C ATOM 1029 CD2 TYR A 70 3.423 7.422 -1.923 1.00 0.00 C ATOM 1030 CE1 TYR A 70 1.902 9.652 -1.350 1.00 0.00 C ATOM 1031 CE2 TYR A 70 4.021 8.665 -1.864 1.00 0.00 C ATOM 1032 CZ TYR A 70 3.257 9.777 -1.578 1.00 0.00 C ATOM 1033 OH TYR A 70 3.848 11.018 -1.518 1.00 0.00 O ATOM 0 H TYR A 70 -1.137 6.336 -1.240 1.00 0.00 H new ATOM 0 HA TYR A 70 0.527 6.302 -3.681 1.00 0.00 H new ATOM 0 HB2 TYR A 70 1.060 5.631 -0.767 1.00 0.00 H new ATOM 0 HB3 TYR A 70 2.159 5.168 -2.050 1.00 0.00 H new ATOM 0 HD1 TYR A 70 0.251 8.309 -1.231 1.00 0.00 H new ATOM 0 HD2 TYR A 70 4.024 6.554 -2.149 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.306 10.524 -1.126 1.00 0.00 H new ATOM 0 HE2 TYR A 70 5.082 8.766 -2.041 1.00 0.00 H new ATOM 0 HH TYR A 70 4.807 10.933 -1.701 1.00 0.00 H new ATOM 1043 N LEU A 71 -1.292 3.960 -2.554 1.00 0.00 N ATOM 1044 CA LEU A 71 -1.752 2.590 -2.751 1.00 0.00 C ATOM 1045 C LEU A 71 -2.882 2.537 -3.774 1.00 0.00 C ATOM 1046 O LEU A 71 -3.691 3.459 -3.867 1.00 0.00 O ATOM 1047 CB LEU A 71 -2.223 1.993 -1.423 1.00 0.00 C ATOM 1048 CG LEU A 71 -1.373 2.328 -0.198 1.00 0.00 C ATOM 1049 CD1 LEU A 71 -2.225 2.321 1.062 1.00 0.00 C ATOM 1050 CD2 LEU A 71 -0.216 1.348 -0.066 1.00 0.00 C ATOM 0 H LEU A 71 -1.942 4.553 -2.039 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.915 2.003 -3.130 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.242 2.331 -1.237 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.261 0.909 -1.528 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.962 3.329 -0.329 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.602 2.562 1.924 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.018 3.063 0.969 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.666 1.333 1.198 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.378 1.602 0.812 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.607 0.336 0.041 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.410 1.403 -0.956 1.00 0.00 H new ATOM 1062 N GLU A 72 -2.931 1.450 -4.538 1.00 0.00 N ATOM 1063 CA GLU A 72 -3.963 1.277 -5.554 1.00 0.00 C ATOM 1064 C GLU A 72 -4.757 -0.004 -5.311 1.00 0.00 C ATOM 1065 O GLU A 72 -4.500 -1.034 -5.935 1.00 0.00 O ATOM 1066 CB GLU A 72 -3.337 1.244 -6.949 1.00 0.00 C ATOM 1067 CG GLU A 72 -4.284 0.754 -8.031 1.00 0.00 C ATOM 1068 CD GLU A 72 -3.886 1.230 -9.415 1.00 0.00 C ATOM 1069 OE1 GLU A 72 -2.671 1.310 -9.688 1.00 0.00 O ATOM 1070 OE2 GLU A 72 -4.792 1.521 -10.224 1.00 0.00 O ATOM 0 H GLU A 72 -2.269 0.677 -4.473 1.00 0.00 H new ATOM 0 HA GLU A 72 -4.645 2.125 -5.490 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.992 2.245 -7.207 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.458 0.599 -6.928 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.310 -0.336 -8.019 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.294 1.099 -7.809 1.00 0.00 H new ATOM 1077 N LEU A 73 -5.720 0.068 -4.399 1.00 0.00 N ATOM 1078 CA LEU A 73 -6.552 -1.085 -4.072 1.00 0.00 C ATOM 1079 C LEU A 73 -6.862 -1.905 -5.320 1.00 0.00 C ATOM 1080 O LEU A 73 -7.699 -1.519 -6.138 1.00 0.00 O ATOM 1081 CB LEU A 73 -7.854 -0.628 -3.412 1.00 0.00 C ATOM 1082 CG LEU A 73 -7.705 0.210 -2.141 1.00 0.00 C ATOM 1083 CD1 LEU A 73 -9.022 0.269 -1.384 1.00 0.00 C ATOM 1084 CD2 LEU A 73 -6.604 -0.356 -1.256 1.00 0.00 C ATOM 0 H LEU A 73 -5.944 0.912 -3.873 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.999 -1.714 -3.375 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.423 -0.050 -4.140 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.446 -1.511 -3.173 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.428 1.225 -2.427 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -8.897 0.869 -0.483 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.786 0.720 -2.017 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.329 -0.740 -1.108 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -6.512 0.252 -0.356 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.851 -1.380 -0.978 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.659 -0.346 -1.799 1.00 0.00 H new ATOM 1096 N LEU A 74 -6.183 -3.038 -5.460 1.00 0.00 N ATOM 1097 CA LEU A 74 -6.387 -3.915 -6.608 1.00 0.00 C ATOM 1098 C LEU A 74 -7.782 -4.531 -6.582 1.00 0.00 C ATOM 1099 O LEU A 74 -8.496 -4.432 -5.585 1.00 0.00 O ATOM 1100 CB LEU A 74 -5.329 -5.020 -6.625 1.00 0.00 C ATOM 1101 CG LEU A 74 -3.889 -4.574 -6.370 1.00 0.00 C ATOM 1102 CD1 LEU A 74 -3.029 -5.758 -5.955 1.00 0.00 C ATOM 1103 CD2 LEU A 74 -3.312 -3.902 -7.607 1.00 0.00 C ATOM 0 H LEU A 74 -5.487 -3.371 -4.793 1.00 0.00 H new ATOM 0 HA LEU A 74 -6.292 -3.315 -7.513 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.596 -5.763 -5.874 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.368 -5.518 -7.594 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.892 -3.850 -5.555 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.008 -5.421 -5.778 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.430 -6.197 -5.041 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.032 -6.506 -6.748 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.287 -3.591 -7.407 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.322 -4.604 -8.441 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.913 -3.029 -7.860 1.00 0.00 H new ATOM 1115 N ASN A 75 -8.162 -5.169 -7.684 1.00 0.00 N ATOM 1116 CA ASN A 75 -9.472 -5.803 -7.787 1.00 0.00 C ATOM 1117 C ASN A 75 -10.535 -4.975 -7.071 1.00 0.00 C ATOM 1118 O ASN A 75 -11.447 -5.520 -6.450 1.00 0.00 O ATOM 1119 CB ASN A 75 -9.426 -7.214 -7.198 1.00 0.00 C ATOM 1120 CG ASN A 75 -10.509 -8.112 -7.762 1.00 0.00 C ATOM 1121 OD1 ASN A 75 -11.402 -8.556 -7.040 1.00 0.00 O ATOM 1122 ND2 ASN A 75 -10.436 -8.384 -9.060 1.00 0.00 N ATOM 0 H ASN A 75 -7.582 -5.261 -8.518 1.00 0.00 H new ATOM 0 HA ASN A 75 -9.736 -5.866 -8.843 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -8.450 -7.657 -7.398 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -9.534 -7.156 -6.115 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -11.138 -8.982 -9.496 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -9.678 -7.994 -9.621 1.00 0.00 H new ATOM 1129 N SER A 76 -10.410 -3.655 -7.162 1.00 0.00 N ATOM 1130 CA SER A 76 -11.358 -2.751 -6.521 1.00 0.00 C ATOM 1131 C SER A 76 -12.767 -2.967 -7.064 1.00 0.00 C ATOM 1132 O SER A 76 -13.725 -3.093 -6.303 1.00 0.00 O ATOM 1133 CB SER A 76 -10.934 -1.297 -6.736 1.00 0.00 C ATOM 1134 OG SER A 76 -10.954 -0.958 -8.111 1.00 0.00 O ATOM 0 H SER A 76 -9.661 -3.188 -7.673 1.00 0.00 H new ATOM 0 HA SER A 76 -11.362 -2.967 -5.453 1.00 0.00 H new ATOM 0 HB2 SER A 76 -11.602 -0.635 -6.185 1.00 0.00 H new ATOM 0 HB3 SER A 76 -9.932 -1.144 -6.335 1.00 0.00 H new ATOM 0 HG SER A 76 -10.681 -0.023 -8.221 1.00 0.00 H new ATOM 1140 N GLY A 77 -12.885 -3.009 -8.388 1.00 0.00 N ATOM 1141 CA GLY A 77 -14.179 -3.209 -9.012 1.00 0.00 C ATOM 1142 C GLY A 77 -14.076 -3.410 -10.511 1.00 0.00 C ATOM 1143 O GLY A 77 -12.987 -3.407 -11.085 1.00 0.00 O ATOM 0 H GLY A 77 -12.107 -2.908 -9.039 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -14.664 -4.077 -8.565 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -14.815 -2.348 -8.807 1.00 0.00 H new ATOM 1147 N PRO A 78 -15.231 -3.591 -11.168 1.00 0.00 N ATOM 1148 CA PRO A 78 -15.292 -3.799 -12.618 1.00 0.00 C ATOM 1149 C PRO A 78 -14.931 -2.541 -13.400 1.00 0.00 C ATOM 1150 O PRO A 78 -14.623 -2.605 -14.590 1.00 0.00 O ATOM 1151 CB PRO A 78 -16.755 -4.178 -12.861 1.00 0.00 C ATOM 1152 CG PRO A 78 -17.499 -3.563 -11.726 1.00 0.00 C ATOM 1153 CD PRO A 78 -16.566 -3.606 -10.547 1.00 0.00 C ATOM 0 HA PRO A 78 -14.581 -4.555 -12.951 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -17.109 -3.797 -13.819 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -16.886 -5.260 -12.880 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -17.787 -2.538 -11.958 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -18.417 -4.113 -11.518 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -16.712 -2.751 -9.888 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -16.719 -4.502 -9.946 1.00 0.00 H new ATOM 1161 N SER A 79 -14.970 -1.397 -12.723 1.00 0.00 N ATOM 1162 CA SER A 79 -14.650 -0.123 -13.356 1.00 0.00 C ATOM 1163 C SER A 79 -13.264 -0.166 -13.992 1.00 0.00 C ATOM 1164 O SER A 79 -12.443 -1.022 -13.662 1.00 0.00 O ATOM 1165 CB SER A 79 -14.718 1.011 -12.331 1.00 0.00 C ATOM 1166 OG SER A 79 -16.057 1.421 -12.113 1.00 0.00 O ATOM 0 H SER A 79 -15.220 -1.327 -11.737 1.00 0.00 H new ATOM 0 HA SER A 79 -15.385 0.060 -14.140 1.00 0.00 H new ATOM 0 HB2 SER A 79 -14.277 0.682 -11.390 1.00 0.00 H new ATOM 0 HB3 SER A 79 -14.127 1.858 -12.681 1.00 0.00 H new ATOM 0 HG SER A 79 -16.074 2.145 -11.453 1.00 0.00 H new ATOM 1172 N SER A 80 -13.011 0.764 -14.907 1.00 0.00 N ATOM 1173 CA SER A 80 -11.726 0.832 -15.593 1.00 0.00 C ATOM 1174 C SER A 80 -10.595 1.098 -14.605 1.00 0.00 C ATOM 1175 O SER A 80 -9.524 0.499 -14.693 1.00 0.00 O ATOM 1176 CB SER A 80 -11.752 1.926 -16.662 1.00 0.00 C ATOM 1177 OG SER A 80 -12.218 1.419 -17.901 1.00 0.00 O ATOM 0 H SER A 80 -13.679 1.481 -15.191 1.00 0.00 H new ATOM 0 HA SER A 80 -11.547 -0.131 -16.072 1.00 0.00 H new ATOM 0 HB2 SER A 80 -12.395 2.743 -16.335 1.00 0.00 H new ATOM 0 HB3 SER A 80 -10.751 2.339 -16.788 1.00 0.00 H new ATOM 0 HG SER A 80 -12.227 2.138 -18.566 1.00 0.00 H new ATOM 1183 N GLY A 81 -10.842 2.001 -13.661 1.00 0.00 N ATOM 1184 CA GLY A 81 -9.836 2.332 -12.668 1.00 0.00 C ATOM 1185 C GLY A 81 -9.615 3.826 -12.543 1.00 0.00 C ATOM 1186 O GLY A 81 -9.770 4.394 -11.462 1.00 0.00 O ATOM 0 H GLY A 81 -11.721 2.510 -13.566 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -10.138 1.930 -11.701 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -8.895 1.850 -12.933 1.00 0.00 H new TER 1190 GLY A 81