USER MOD reduce.3.24.130724 H: found=0, std=0, add=487, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 488 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 17 GLN : amide:sc= 0.0353! C(o=0.085!,f=-22!) USER MOD Set 1.2: A 32 ASN : amide:sc= -0.821! C(o=0.085!,f=-23!) USER MOD Set 1.3: A 36 LYS NZ :NH3+ -108:sc= 0.871! (180deg=-0.282) USER MOD Set 2.1: A 29 GLN : amide:sc= -2.79! C(o=-2!,f=-19!) USER MOD Set 2.2: A 30 THR OG1 : rot 74:sc= 0.763 USER MOD Set 3.1: A 16 SER OG : rot -79:sc= 0.242! USER MOD Set 3.2: A 18 SER OG : rot 71:sc= 1 USER MOD Set 4.1: A 13 LYS NZ :NH3+ -132:sc= -0.0067! (180deg=-0.697!) USER MOD Set 4.2: A 55 THR OG1 : rot 82:sc= 0.257 USER MOD Set 5.1: A 5 ASN : amide:sc= -4.52! C(o=-8.8!,f=-23!) USER MOD Set 5.2: A 40 ASN : amide:sc= -4.29! C(o=-8.8!,f=-25!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -140:sc= 0.629 (180deg=-2.52!) USER MOD Single : A 14 LYS NZ :NH3+ -137:sc= 0.186! (180deg=-3.08!) USER MOD Single : A 27 SER OG : rot -169:sc= -1.59! USER MOD Single : A 37 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 38 LYS NZ :NH3+ -149:sc= -0.0623 (180deg=-1.07) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ -164:sc=-0.00876 (180deg=-0.22) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 70 N ASN A 5 4.453 5.551 -2.960 1.00 0.00 N ATOM 71 CA ASN A 5 3.394 5.345 -1.984 1.00 0.00 C ATOM 72 C ASN A 5 3.029 3.882 -1.917 1.00 0.00 C ATOM 73 O ASN A 5 2.836 3.255 -2.940 1.00 0.00 O ATOM 74 CB ASN A 5 2.171 6.162 -2.388 1.00 0.00 C ATOM 75 CG ASN A 5 1.097 6.106 -1.313 1.00 0.00 C ATOM 76 OD1 ASN A 5 0.974 5.109 -0.595 1.00 0.00 O ATOM 77 ND2 ASN A 5 0.307 7.115 -1.158 1.00 0.00 N ATOM 0 HA ASN A 5 3.742 5.667 -1.002 1.00 0.00 H new ATOM 0 HB2 ASN A 5 2.463 7.198 -2.562 1.00 0.00 H new ATOM 0 HB3 ASN A 5 1.770 5.782 -3.328 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -0.419 7.089 -0.442 1.00 0.00 H new ATOM 0 HD22 ASN A 5 0.409 7.938 -1.751 1.00 0.00 H new ATOM 84 N LEU A 6 2.814 3.370 -0.718 1.00 0.00 N ATOM 85 CA LEU A 6 2.406 1.978 -0.558 1.00 0.00 C ATOM 86 C LEU A 6 1.120 1.762 -1.337 1.00 0.00 C ATOM 87 O LEU A 6 0.987 0.798 -2.087 1.00 0.00 O ATOM 88 CB LEU A 6 2.210 1.644 0.937 1.00 0.00 C ATOM 89 CG LEU A 6 1.988 0.126 1.156 1.00 0.00 C ATOM 90 CD1 LEU A 6 0.515 -0.234 0.970 1.00 0.00 C ATOM 91 CD2 LEU A 6 2.844 -0.702 0.187 1.00 0.00 C ATOM 0 H LEU A 6 2.913 3.889 0.155 1.00 0.00 H new ATOM 0 HA LEU A 6 3.180 1.314 -0.943 1.00 0.00 H new ATOM 0 HB2 LEU A 6 3.084 1.970 1.501 1.00 0.00 H new ATOM 0 HB3 LEU A 6 1.355 2.197 1.325 1.00 0.00 H new ATOM 0 HG LEU A 6 2.289 -0.108 2.177 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.379 -1.304 1.128 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.088 0.318 1.690 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.202 0.026 -0.041 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.669 -1.763 0.363 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.574 -0.455 -0.840 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.898 -0.477 0.349 1.00 0.00 H new ATOM 103 N LYS A 7 0.261 2.759 -1.284 1.00 0.00 N ATOM 104 CA LYS A 7 -0.939 2.787 -2.099 1.00 0.00 C ATOM 105 C LYS A 7 -0.574 2.719 -3.596 1.00 0.00 C ATOM 106 O LYS A 7 -1.177 1.949 -4.348 1.00 0.00 O ATOM 107 CB LYS A 7 -1.733 4.068 -1.752 1.00 0.00 C ATOM 108 CG LYS A 7 -2.849 4.348 -2.767 1.00 0.00 C ATOM 109 CD LYS A 7 -3.799 5.434 -2.215 1.00 0.00 C ATOM 110 CE LYS A 7 -2.989 6.643 -1.697 1.00 0.00 C ATOM 111 NZ LYS A 7 -3.858 7.846 -1.615 1.00 0.00 N ATOM 0 H LYS A 7 0.373 3.571 -0.677 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.564 1.919 -1.890 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.166 3.967 -0.757 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -1.052 4.918 -1.719 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.418 4.675 -3.713 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.406 3.433 -2.970 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.487 5.757 -2.997 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.405 5.021 -1.408 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -2.574 6.418 -0.715 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -2.147 6.838 -2.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -3.302 8.653 -1.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -4.234 8.068 -2.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -4.647 7.661 -0.963 1.00 0.00 H new ATOM 125 N LEU A 8 0.427 3.504 -3.995 1.00 0.00 N ATOM 126 CA LEU A 8 0.950 3.521 -5.382 1.00 0.00 C ATOM 127 C LEU A 8 1.773 2.267 -5.731 1.00 0.00 C ATOM 128 O LEU A 8 1.865 1.883 -6.889 1.00 0.00 O ATOM 129 CB LEU A 8 1.764 4.782 -5.644 1.00 0.00 C ATOM 130 CG LEU A 8 0.844 6.009 -5.570 1.00 0.00 C ATOM 131 CD1 LEU A 8 1.690 7.283 -5.635 1.00 0.00 C ATOM 132 CD2 LEU A 8 -0.123 5.997 -6.764 1.00 0.00 C ATOM 0 H LEU A 8 0.907 4.152 -3.371 1.00 0.00 H new ATOM 0 HA LEU A 8 0.078 3.519 -6.036 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.565 4.870 -4.910 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.235 4.726 -6.625 1.00 0.00 H new ATOM 0 HG LEU A 8 0.282 5.982 -4.637 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.039 8.155 -5.583 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.387 7.300 -4.797 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.247 7.302 -6.571 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.776 6.868 -6.712 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.446 6.025 -7.693 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.726 5.089 -6.735 1.00 0.00 H new ATOM 144 N ILE A 9 2.479 1.728 -4.757 1.00 0.00 N ATOM 145 CA ILE A 9 3.391 0.596 -4.967 1.00 0.00 C ATOM 146 C ILE A 9 2.654 -0.630 -5.492 1.00 0.00 C ATOM 147 O ILE A 9 3.193 -1.398 -6.294 1.00 0.00 O ATOM 148 CB ILE A 9 4.167 0.263 -3.666 1.00 0.00 C ATOM 149 CG1 ILE A 9 5.173 1.377 -3.332 1.00 0.00 C ATOM 150 CG2 ILE A 9 4.899 -1.083 -3.771 1.00 0.00 C ATOM 151 CD1 ILE A 9 6.207 1.490 -4.450 1.00 0.00 C ATOM 0 H ILE A 9 2.444 2.056 -3.792 1.00 0.00 H new ATOM 0 HA ILE A 9 4.113 0.893 -5.728 1.00 0.00 H new ATOM 0 HB ILE A 9 3.433 0.190 -2.863 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.651 2.326 -3.209 1.00 0.00 H new ATOM 0 HG13 ILE A 9 5.669 1.161 -2.386 1.00 0.00 H new ATOM 0 HG21 ILE A 9 5.431 -1.281 -2.841 1.00 0.00 H new ATOM 0 HG22 ILE A 9 4.175 -1.878 -3.952 1.00 0.00 H new ATOM 0 HG23 ILE A 9 5.611 -1.047 -4.595 1.00 0.00 H new ATOM 0 HD11 ILE A 9 6.918 2.280 -4.210 1.00 0.00 H new ATOM 0 HD12 ILE A 9 6.738 0.543 -4.552 1.00 0.00 H new ATOM 0 HD13 ILE A 9 5.704 1.727 -5.388 1.00 0.00 H new ATOM 163 N ARG A 10 1.502 -0.891 -4.927 1.00 0.00 N ATOM 164 CA ARG A 10 0.773 -2.120 -5.200 1.00 0.00 C ATOM 165 C ARG A 10 0.852 -2.504 -6.669 1.00 0.00 C ATOM 166 O ARG A 10 0.987 -3.683 -6.986 1.00 0.00 O ATOM 167 CB ARG A 10 -0.679 -1.909 -4.898 1.00 0.00 C ATOM 168 CG ARG A 10 -0.911 -1.624 -3.425 1.00 0.00 C ATOM 169 CD ARG A 10 -2.371 -1.241 -3.292 1.00 0.00 C ATOM 170 NE ARG A 10 -2.625 -0.047 -4.109 1.00 0.00 N ATOM 171 CZ ARG A 10 -3.416 -0.081 -5.187 1.00 0.00 C ATOM 172 NH1 ARG A 10 -3.800 -1.221 -5.677 1.00 0.00 N ATOM 173 NH2 ARG A 10 -3.707 1.025 -5.811 1.00 0.00 N ATOM 0 H ARG A 10 1.039 -0.266 -4.267 1.00 0.00 H new ATOM 0 HA ARG A 10 1.217 -2.902 -4.584 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.057 -1.078 -5.493 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.244 -2.794 -5.191 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.682 -2.500 -2.818 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.264 -0.818 -3.078 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.008 -2.063 -3.618 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -2.615 -1.043 -2.248 1.00 0.00 H new ATOM 0 HE ARG A 10 -2.185 0.835 -3.846 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.498 -2.092 -5.240 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -4.403 -1.246 -6.499 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -3.332 1.913 -5.477 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -4.310 1.003 -6.633 1.00 0.00 H new ATOM 187 N GLU A 11 0.704 -1.527 -7.569 1.00 0.00 N ATOM 188 CA GLU A 11 0.693 -1.841 -8.996 1.00 0.00 C ATOM 189 C GLU A 11 1.945 -2.592 -9.388 1.00 0.00 C ATOM 190 O GLU A 11 1.942 -3.367 -10.346 1.00 0.00 O ATOM 191 CB GLU A 11 0.514 -0.597 -9.877 1.00 0.00 C ATOM 192 CG GLU A 11 1.538 0.476 -9.515 1.00 0.00 C ATOM 193 CD GLU A 11 1.628 1.494 -10.631 1.00 0.00 C ATOM 194 OE1 GLU A 11 2.016 1.113 -11.719 1.00 0.00 O ATOM 195 OE2 GLU A 11 1.300 2.638 -10.394 1.00 0.00 O ATOM 0 H GLU A 11 0.593 -0.539 -7.342 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.174 -2.478 -9.169 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.623 -0.870 -10.927 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.494 -0.201 -9.754 1.00 0.00 H new ATOM 0 HG2 GLU A 11 1.251 0.967 -8.585 1.00 0.00 H new ATOM 0 HG3 GLU A 11 2.513 0.019 -9.347 1.00 0.00 H new ATOM 202 N LYS A 12 2.989 -2.437 -8.599 1.00 0.00 N ATOM 203 CA LYS A 12 4.197 -3.194 -8.816 1.00 0.00 C ATOM 204 C LYS A 12 3.889 -4.662 -8.643 1.00 0.00 C ATOM 205 O LYS A 12 4.332 -5.503 -9.425 1.00 0.00 O ATOM 206 CB LYS A 12 5.276 -2.769 -7.829 1.00 0.00 C ATOM 207 CG LYS A 12 5.711 -1.349 -8.167 1.00 0.00 C ATOM 208 CD LYS A 12 6.817 -0.904 -7.222 1.00 0.00 C ATOM 209 CE LYS A 12 7.240 0.507 -7.617 1.00 0.00 C ATOM 210 NZ LYS A 12 8.339 0.978 -6.737 1.00 0.00 N ATOM 0 H LYS A 12 3.022 -1.796 -7.806 1.00 0.00 H new ATOM 0 HA LYS A 12 4.565 -3.008 -9.825 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.895 -2.815 -6.809 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.127 -3.448 -7.883 1.00 0.00 H new ATOM 0 HG2 LYS A 12 6.062 -1.303 -9.198 1.00 0.00 H new ATOM 0 HG3 LYS A 12 4.861 -0.671 -8.089 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.466 -0.921 -6.190 1.00 0.00 H new ATOM 0 HD3 LYS A 12 7.665 -1.586 -7.281 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.566 0.519 -8.657 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.389 1.184 -7.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 8.190 1.980 -6.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.349 0.415 -5.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 9.249 0.870 -7.229 1.00 0.00 H new ATOM 224 N LYS A 13 3.058 -4.950 -7.646 1.00 0.00 N ATOM 225 CA LYS A 13 2.612 -6.303 -7.386 1.00 0.00 C ATOM 226 C LYS A 13 1.229 -6.557 -7.959 1.00 0.00 C ATOM 227 O LYS A 13 0.672 -7.631 -7.765 1.00 0.00 O ATOM 228 CB LYS A 13 2.660 -6.630 -5.895 1.00 0.00 C ATOM 229 CG LYS A 13 2.808 -8.156 -5.720 1.00 0.00 C ATOM 230 CD LYS A 13 3.859 -8.443 -4.647 1.00 0.00 C ATOM 231 CE LYS A 13 5.227 -8.724 -5.300 1.00 0.00 C ATOM 232 NZ LYS A 13 6.299 -7.987 -4.570 1.00 0.00 N ATOM 0 H LYS A 13 2.681 -4.254 -7.003 1.00 0.00 H new ATOM 0 HA LYS A 13 3.305 -6.973 -7.895 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.496 -6.114 -5.423 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.752 -6.281 -5.404 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.852 -8.595 -5.435 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.101 -8.615 -6.664 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.939 -7.592 -3.970 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.552 -9.300 -4.047 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.434 -9.794 -5.285 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.210 -8.417 -6.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.904 -7.488 -5.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.867 -7.298 -3.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.875 -8.661 -4.026 1.00 0.00 H new ATOM 246 N LYS A 14 0.686 -5.559 -8.658 1.00 0.00 N ATOM 247 CA LYS A 14 -0.629 -5.644 -9.305 1.00 0.00 C ATOM 248 C LYS A 14 -1.733 -6.091 -8.337 1.00 0.00 C ATOM 249 O LYS A 14 -2.541 -6.963 -8.659 1.00 0.00 O ATOM 250 CB LYS A 14 -0.577 -6.541 -10.576 1.00 0.00 C ATOM 251 CG LYS A 14 -0.539 -8.042 -10.206 1.00 0.00 C ATOM 252 CD LYS A 14 0.811 -8.653 -10.613 1.00 0.00 C ATOM 253 CE LYS A 14 0.973 -10.027 -9.948 1.00 0.00 C ATOM 254 NZ LYS A 14 0.891 -9.879 -8.470 1.00 0.00 N ATOM 0 H LYS A 14 1.149 -4.660 -8.794 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.891 -4.635 -9.623 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.448 -6.341 -11.200 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.304 -6.288 -11.166 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.694 -8.164 -9.134 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.351 -8.569 -10.707 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.865 -8.753 -11.697 1.00 0.00 H new ATOM 0 HD3 LYS A 14 1.626 -7.994 -10.313 1.00 0.00 H new ATOM 0 HE2 LYS A 14 0.196 -10.706 -10.299 1.00 0.00 H new ATOM 0 HE3 LYS A 14 1.931 -10.467 -10.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 1.628 -10.460 -8.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 1.032 -8.881 -8.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.044 -10.192 -8.141 1.00 0.00 H new ATOM 268 N ILE A 15 -1.774 -5.480 -7.160 1.00 0.00 N ATOM 269 CA ILE A 15 -2.787 -5.823 -6.165 1.00 0.00 C ATOM 270 C ILE A 15 -3.636 -4.607 -5.759 1.00 0.00 C ATOM 271 O ILE A 15 -3.120 -3.517 -5.518 1.00 0.00 O ATOM 272 CB ILE A 15 -2.139 -6.503 -4.946 1.00 0.00 C ATOM 273 CG1 ILE A 15 -1.047 -5.611 -4.349 1.00 0.00 C ATOM 274 CG2 ILE A 15 -1.513 -7.835 -5.363 1.00 0.00 C ATOM 275 CD1 ILE A 15 -0.546 -6.243 -3.051 1.00 0.00 C ATOM 0 H ILE A 15 -1.124 -4.749 -6.870 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.473 -6.535 -6.623 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.915 -6.673 -4.199 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.224 -5.498 -5.055 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.440 -4.613 -4.155 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.056 -8.310 -4.495 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.285 -8.488 -5.770 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.751 -7.657 -6.122 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.232 -5.615 -2.617 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.373 -6.333 -2.347 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.139 -7.232 -3.261 1.00 0.00 H new ATOM 287 N SER A 16 -4.941 -4.798 -5.722 1.00 0.00 N ATOM 288 CA SER A 16 -5.872 -3.720 -5.413 1.00 0.00 C ATOM 289 C SER A 16 -5.795 -3.310 -3.947 1.00 0.00 C ATOM 290 O SER A 16 -5.275 -4.049 -3.103 1.00 0.00 O ATOM 291 CB SER A 16 -7.308 -4.132 -5.769 1.00 0.00 C ATOM 292 OG SER A 16 -7.595 -5.428 -5.225 1.00 0.00 O ATOM 0 H SER A 16 -5.387 -5.697 -5.903 1.00 0.00 H new ATOM 0 HA SER A 16 -5.586 -2.859 -6.017 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.013 -3.399 -5.377 1.00 0.00 H new ATOM 0 HB3 SER A 16 -7.433 -4.147 -6.852 1.00 0.00 H new ATOM 0 HG SER A 16 -7.202 -6.118 -5.799 1.00 0.00 H new ATOM 298 N GLN A 17 -6.365 -2.158 -3.631 1.00 0.00 N ATOM 299 CA GLN A 17 -6.410 -1.683 -2.257 1.00 0.00 C ATOM 300 C GLN A 17 -7.183 -2.704 -1.436 1.00 0.00 C ATOM 301 O GLN A 17 -6.888 -2.945 -0.260 1.00 0.00 O ATOM 302 CB GLN A 17 -7.139 -0.335 -2.189 1.00 0.00 C ATOM 303 CG GLN A 17 -6.369 0.737 -2.978 1.00 0.00 C ATOM 304 CD GLN A 17 -7.148 2.053 -2.953 1.00 0.00 C ATOM 305 OE1 GLN A 17 -8.063 2.217 -2.143 1.00 0.00 O ATOM 306 NE2 GLN A 17 -6.855 2.991 -3.794 1.00 0.00 N ATOM 0 H GLN A 17 -6.803 -1.534 -4.308 1.00 0.00 H new ATOM 0 HA GLN A 17 -5.398 -1.556 -1.874 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -8.146 -0.439 -2.594 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -7.244 -0.024 -1.150 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -5.379 0.881 -2.545 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -6.222 0.410 -4.007 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -6.098 2.857 -4.465 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -7.381 3.865 -3.787 1.00 0.00 H new ATOM 315 N SER A 18 -8.164 -3.307 -2.083 1.00 0.00 N ATOM 316 CA SER A 18 -8.987 -4.336 -1.481 1.00 0.00 C ATOM 317 C SER A 18 -8.130 -5.518 -1.062 1.00 0.00 C ATOM 318 O SER A 18 -8.339 -6.100 0.003 1.00 0.00 O ATOM 319 CB SER A 18 -10.022 -4.787 -2.509 1.00 0.00 C ATOM 320 OG SER A 18 -9.478 -4.588 -3.823 1.00 0.00 O ATOM 0 H SER A 18 -8.413 -3.093 -3.049 1.00 0.00 H new ATOM 0 HA SER A 18 -9.483 -3.940 -0.595 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.273 -5.837 -2.358 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.945 -4.219 -2.391 1.00 0.00 H new ATOM 0 HG SER A 18 -8.764 -5.239 -3.983 1.00 0.00 H new ATOM 326 N GLU A 19 -7.156 -5.853 -1.895 1.00 0.00 N ATOM 327 CA GLU A 19 -6.274 -6.979 -1.635 1.00 0.00 C ATOM 328 C GLU A 19 -5.436 -6.749 -0.389 1.00 0.00 C ATOM 329 O GLU A 19 -5.309 -7.641 0.445 1.00 0.00 O ATOM 330 CB GLU A 19 -5.390 -7.239 -2.855 1.00 0.00 C ATOM 331 CG GLU A 19 -6.269 -7.796 -3.983 1.00 0.00 C ATOM 332 CD GLU A 19 -5.514 -7.832 -5.284 1.00 0.00 C ATOM 333 OE1 GLU A 19 -4.603 -8.614 -5.397 1.00 0.00 O ATOM 334 OE2 GLU A 19 -5.851 -7.066 -6.152 1.00 0.00 O ATOM 0 H GLU A 19 -6.956 -5.356 -2.763 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.885 -7.863 -1.452 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.904 -6.317 -3.174 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -4.599 -7.947 -2.606 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.605 -8.800 -3.725 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.161 -7.179 -4.093 1.00 0.00 H new ATOM 341 N LEU A 20 -4.939 -5.536 -0.210 1.00 0.00 N ATOM 342 CA LEU A 20 -4.184 -5.240 1.003 1.00 0.00 C ATOM 343 C LEU A 20 -5.087 -5.403 2.205 1.00 0.00 C ATOM 344 O LEU A 20 -4.724 -6.040 3.191 1.00 0.00 O ATOM 345 CB LEU A 20 -3.639 -3.812 0.987 1.00 0.00 C ATOM 346 CG LEU A 20 -2.561 -3.660 -0.090 1.00 0.00 C ATOM 347 CD1 LEU A 20 -2.106 -2.203 -0.131 1.00 0.00 C ATOM 348 CD2 LEU A 20 -1.361 -4.553 0.237 1.00 0.00 C ATOM 0 H LEU A 20 -5.038 -4.760 -0.865 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.343 -5.932 1.055 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.451 -3.109 0.799 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.223 -3.565 1.964 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.971 -3.955 -1.056 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.338 -2.083 -0.895 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.956 -1.563 -0.367 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.699 -1.921 0.840 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.600 -4.437 -0.535 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.945 -4.264 1.202 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.682 -5.594 0.277 1.00 0.00 H new ATOM 360 N ALA A 21 -6.298 -4.905 2.084 1.00 0.00 N ATOM 361 CA ALA A 21 -7.285 -5.081 3.127 1.00 0.00 C ATOM 362 C ALA A 21 -7.652 -6.547 3.236 1.00 0.00 C ATOM 363 O ALA A 21 -7.855 -7.078 4.333 1.00 0.00 O ATOM 364 CB ALA A 21 -8.520 -4.246 2.842 1.00 0.00 C ATOM 0 H ALA A 21 -6.623 -4.376 1.275 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.862 -4.746 4.074 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.250 -4.393 3.638 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.244 -3.193 2.792 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.955 -4.552 1.890 1.00 0.00 H new ATOM 370 N ALA A 22 -7.711 -7.202 2.081 1.00 0.00 N ATOM 371 CA ALA A 22 -8.024 -8.615 2.021 1.00 0.00 C ATOM 372 C ALA A 22 -7.042 -9.391 2.859 1.00 0.00 C ATOM 373 O ALA A 22 -7.396 -10.402 3.450 1.00 0.00 O ATOM 374 CB ALA A 22 -7.981 -9.120 0.578 1.00 0.00 C ATOM 0 H ALA A 22 -7.544 -6.769 1.173 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.032 -8.761 2.410 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.219 -10.183 0.557 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.710 -8.573 -0.021 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.983 -8.964 0.167 1.00 0.00 H new ATOM 380 N LEU A 23 -5.822 -8.887 2.959 1.00 0.00 N ATOM 381 CA LEU A 23 -4.829 -9.520 3.805 1.00 0.00 C ATOM 382 C LEU A 23 -5.295 -9.486 5.242 1.00 0.00 C ATOM 383 O LEU A 23 -5.088 -10.436 5.998 1.00 0.00 O ATOM 384 CB LEU A 23 -3.475 -8.801 3.702 1.00 0.00 C ATOM 385 CG LEU A 23 -2.878 -9.010 2.308 1.00 0.00 C ATOM 386 CD1 LEU A 23 -1.632 -8.140 2.147 1.00 0.00 C ATOM 387 CD2 LEU A 23 -2.497 -10.478 2.127 1.00 0.00 C ATOM 0 H LEU A 23 -5.500 -8.051 2.470 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.705 -10.550 3.471 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.603 -7.736 3.896 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.792 -9.183 4.461 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.616 -8.731 1.556 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.209 -8.291 1.154 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.902 -7.091 2.271 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.895 -8.417 2.901 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.072 -10.624 1.134 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.762 -10.759 2.881 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.385 -11.101 2.237 1.00 0.00 H new ATOM 399 N LEU A 24 -5.859 -8.357 5.639 1.00 0.00 N ATOM 400 CA LEU A 24 -6.275 -8.169 7.017 1.00 0.00 C ATOM 401 C LEU A 24 -7.568 -8.941 7.332 1.00 0.00 C ATOM 402 O LEU A 24 -7.798 -9.328 8.479 1.00 0.00 O ATOM 403 CB LEU A 24 -6.494 -6.672 7.311 1.00 0.00 C ATOM 404 CG LEU A 24 -5.263 -5.843 6.889 1.00 0.00 C ATOM 405 CD1 LEU A 24 -5.490 -4.372 7.230 1.00 0.00 C ATOM 406 CD2 LEU A 24 -3.995 -6.350 7.583 1.00 0.00 C ATOM 0 H LEU A 24 -6.038 -7.560 5.028 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.478 -8.558 7.651 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.376 -6.318 6.778 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.686 -6.530 8.375 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.128 -5.951 5.813 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.618 -3.790 6.930 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.370 -4.007 6.700 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.644 -4.267 8.304 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.142 -5.748 7.268 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.115 -6.271 8.663 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.824 -7.392 7.312 1.00 0.00 H new ATOM 418 N GLU A 25 -8.439 -9.093 6.334 1.00 0.00 N ATOM 419 CA GLU A 25 -9.765 -9.707 6.546 1.00 0.00 C ATOM 420 C GLU A 25 -10.473 -9.131 7.780 1.00 0.00 C ATOM 421 O GLU A 25 -11.290 -9.808 8.417 1.00 0.00 O ATOM 422 CB GLU A 25 -9.692 -11.243 6.633 1.00 0.00 C ATOM 423 CG GLU A 25 -9.383 -11.831 5.252 1.00 0.00 C ATOM 424 CD GLU A 25 -9.289 -13.344 5.307 1.00 0.00 C ATOM 425 OE1 GLU A 25 -9.380 -13.892 6.381 1.00 0.00 O ATOM 426 OE2 GLU A 25 -9.121 -13.937 4.269 1.00 0.00 O ATOM 0 H GLU A 25 -8.259 -8.803 5.373 1.00 0.00 H new ATOM 0 HA GLU A 25 -10.358 -9.454 5.667 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.921 -11.539 7.344 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.637 -11.640 7.003 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.161 -11.538 4.547 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.445 -11.419 4.880 1.00 0.00 H new ATOM 433 N VAL A 26 -10.209 -7.869 8.068 1.00 0.00 N ATOM 434 CA VAL A 26 -10.864 -7.171 9.173 1.00 0.00 C ATOM 435 C VAL A 26 -11.411 -5.831 8.688 1.00 0.00 C ATOM 436 O VAL A 26 -11.059 -5.382 7.598 1.00 0.00 O ATOM 437 CB VAL A 26 -9.900 -6.980 10.362 1.00 0.00 C ATOM 438 CG1 VAL A 26 -9.756 -8.306 11.122 1.00 0.00 C ATOM 439 CG2 VAL A 26 -8.523 -6.544 9.865 1.00 0.00 C ATOM 0 H VAL A 26 -9.541 -7.298 7.550 1.00 0.00 H new ATOM 0 HA VAL A 26 -11.696 -7.781 9.525 1.00 0.00 H new ATOM 0 HB VAL A 26 -10.305 -6.211 11.020 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.075 -8.172 11.962 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -10.732 -8.621 11.492 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.359 -9.068 10.452 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.854 -6.413 10.715 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.119 -7.306 9.199 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.613 -5.601 9.326 1.00 0.00 H new ATOM 449 N SER A 27 -12.280 -5.220 9.486 1.00 0.00 N ATOM 450 CA SER A 27 -12.959 -3.957 9.148 1.00 0.00 C ATOM 451 C SER A 27 -12.047 -2.940 8.454 1.00 0.00 C ATOM 452 O SER A 27 -12.530 -1.948 7.886 1.00 0.00 O ATOM 453 CB SER A 27 -13.584 -3.339 10.399 1.00 0.00 C ATOM 454 OG SER A 27 -12.806 -3.706 11.535 1.00 0.00 O ATOM 0 H SER A 27 -12.542 -5.587 10.401 1.00 0.00 H new ATOM 0 HA SER A 27 -13.740 -4.211 8.431 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.623 -2.254 10.304 1.00 0.00 H new ATOM 0 HB3 SER A 27 -14.611 -3.686 10.518 1.00 0.00 H new ATOM 0 HG SER A 27 -13.288 -3.465 12.353 1.00 0.00 H new ATOM 460 N ARG A 28 -10.742 -3.174 8.496 1.00 0.00 N ATOM 461 CA ARG A 28 -9.795 -2.267 7.877 1.00 0.00 C ATOM 462 C ARG A 28 -10.164 -2.048 6.420 1.00 0.00 C ATOM 463 O ARG A 28 -10.090 -0.928 5.930 1.00 0.00 O ATOM 464 CB ARG A 28 -8.360 -2.824 7.969 1.00 0.00 C ATOM 465 CG ARG A 28 -7.955 -3.038 9.442 1.00 0.00 C ATOM 466 CD ARG A 28 -8.428 -1.872 10.324 1.00 0.00 C ATOM 467 NE ARG A 28 -9.669 -2.254 10.997 1.00 0.00 N ATOM 468 CZ ARG A 28 -9.664 -3.013 12.099 1.00 0.00 C ATOM 469 NH1 ARG A 28 -8.531 -3.316 12.675 1.00 0.00 N ATOM 470 NH2 ARG A 28 -10.783 -3.429 12.609 1.00 0.00 N ATOM 0 H ARG A 28 -10.320 -3.983 8.952 1.00 0.00 H new ATOM 0 HA ARG A 28 -9.834 -1.317 8.410 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -8.295 -3.768 7.427 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -7.665 -2.134 7.491 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -8.384 -3.971 9.808 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.872 -3.135 9.514 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -7.663 -1.622 11.059 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -8.589 -0.982 9.716 1.00 0.00 H new ATOM 0 HE ARG A 28 -10.560 -1.934 10.617 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.653 -2.974 12.285 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -8.525 -3.894 13.515 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -11.668 -3.177 12.170 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -10.777 -4.007 13.449 1.00 0.00 H new ATOM 484 N GLN A 29 -10.659 -3.093 5.760 1.00 0.00 N ATOM 485 CA GLN A 29 -11.117 -2.938 4.375 1.00 0.00 C ATOM 486 C GLN A 29 -12.270 -1.964 4.322 1.00 0.00 C ATOM 487 O GLN A 29 -12.323 -1.092 3.465 1.00 0.00 O ATOM 488 CB GLN A 29 -11.580 -4.281 3.747 1.00 0.00 C ATOM 489 CG GLN A 29 -11.554 -5.431 4.765 1.00 0.00 C ATOM 490 CD GLN A 29 -12.821 -5.403 5.613 1.00 0.00 C ATOM 491 OE1 GLN A 29 -13.193 -4.352 6.147 1.00 0.00 O ATOM 492 NE2 GLN A 29 -13.514 -6.481 5.769 1.00 0.00 N ATOM 0 H GLN A 29 -10.753 -4.033 6.145 1.00 0.00 H new ATOM 0 HA GLN A 29 -10.266 -2.569 3.802 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.590 -4.168 3.353 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -10.935 -4.528 2.904 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -11.475 -6.386 4.246 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -10.676 -5.342 5.405 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -13.211 -7.350 5.330 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -14.365 -6.463 6.331 1.00 0.00 H new ATOM 501 N THR A 30 -13.202 -2.153 5.216 1.00 0.00 N ATOM 502 CA THR A 30 -14.403 -1.358 5.266 1.00 0.00 C ATOM 503 C THR A 30 -14.079 0.106 5.558 1.00 0.00 C ATOM 504 O THR A 30 -14.585 1.011 4.889 1.00 0.00 O ATOM 505 CB THR A 30 -15.348 -1.933 6.323 1.00 0.00 C ATOM 506 OG1 THR A 30 -15.402 -3.353 6.172 1.00 0.00 O ATOM 507 CG2 THR A 30 -16.753 -1.361 6.132 1.00 0.00 C ATOM 0 H THR A 30 -13.150 -2.871 5.939 1.00 0.00 H new ATOM 0 HA THR A 30 -14.894 -1.393 4.294 1.00 0.00 H new ATOM 0 HB THR A 30 -14.983 -1.670 7.316 1.00 0.00 H new ATOM 0 HG1 THR A 30 -14.571 -3.749 6.507 1.00 0.00 H new ATOM 0 HG21 THR A 30 -17.420 -1.775 6.888 1.00 0.00 H new ATOM 0 HG22 THR A 30 -16.721 -0.276 6.231 1.00 0.00 H new ATOM 0 HG23 THR A 30 -17.121 -1.624 5.140 1.00 0.00 H new ATOM 515 N ILE A 31 -13.229 0.338 6.554 1.00 0.00 N ATOM 516 CA ILE A 31 -12.866 1.705 6.912 1.00 0.00 C ATOM 517 C ILE A 31 -11.803 2.251 5.974 1.00 0.00 C ATOM 518 O ILE A 31 -11.587 3.462 5.910 1.00 0.00 O ATOM 519 CB ILE A 31 -12.398 1.804 8.371 1.00 0.00 C ATOM 520 CG1 ILE A 31 -11.147 0.949 8.598 1.00 0.00 C ATOM 521 CG2 ILE A 31 -13.512 1.319 9.300 1.00 0.00 C ATOM 522 CD1 ILE A 31 -10.627 1.185 10.022 1.00 0.00 C ATOM 0 H ILE A 31 -12.786 -0.387 7.118 1.00 0.00 H new ATOM 0 HA ILE A 31 -13.764 2.314 6.808 1.00 0.00 H new ATOM 0 HB ILE A 31 -12.158 2.845 8.587 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -11.381 -0.106 8.454 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -10.378 1.207 7.870 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -13.179 1.390 10.335 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -14.398 1.939 9.161 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -13.755 0.282 9.067 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -9.737 0.579 10.189 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -10.378 2.239 10.148 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -11.397 0.905 10.741 1.00 0.00 H new ATOM 534 N ASN A 32 -11.112 1.356 5.269 1.00 0.00 N ATOM 535 CA ASN A 32 -10.039 1.786 4.384 1.00 0.00 C ATOM 536 C ASN A 32 -10.510 2.914 3.501 1.00 0.00 C ATOM 537 O ASN A 32 -9.812 3.885 3.320 1.00 0.00 O ATOM 538 CB ASN A 32 -9.509 0.630 3.512 1.00 0.00 C ATOM 539 CG ASN A 32 -10.041 0.743 2.084 1.00 0.00 C ATOM 540 OD1 ASN A 32 -9.433 1.414 1.241 1.00 0.00 O ATOM 541 ND2 ASN A 32 -11.137 0.143 1.764 1.00 0.00 N ATOM 0 H ASN A 32 -11.274 0.349 5.294 1.00 0.00 H new ATOM 0 HA ASN A 32 -9.220 2.131 5.015 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -8.419 0.646 3.502 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -9.810 -0.325 3.943 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -11.503 0.221 0.815 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -11.638 -0.410 2.460 1.00 0.00 H new ATOM 548 N GLY A 33 -11.703 2.778 2.948 1.00 0.00 N ATOM 549 CA GLY A 33 -12.237 3.794 2.054 1.00 0.00 C ATOM 550 C GLY A 33 -11.999 5.184 2.621 1.00 0.00 C ATOM 551 O GLY A 33 -11.270 5.990 2.036 1.00 0.00 O ATOM 0 H GLY A 33 -12.318 1.979 3.100 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.765 3.709 1.075 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -13.305 3.633 1.908 1.00 0.00 H new ATOM 555 N ILE A 34 -12.569 5.444 3.778 1.00 0.00 N ATOM 556 CA ILE A 34 -12.377 6.726 4.425 1.00 0.00 C ATOM 557 C ILE A 34 -10.948 6.881 4.932 1.00 0.00 C ATOM 558 O ILE A 34 -10.332 7.945 4.772 1.00 0.00 O ATOM 559 CB ILE A 34 -13.394 6.902 5.567 1.00 0.00 C ATOM 560 CG1 ILE A 34 -13.142 8.226 6.311 1.00 0.00 C ATOM 561 CG2 ILE A 34 -13.332 5.713 6.537 1.00 0.00 C ATOM 562 CD1 ILE A 34 -12.237 8.016 7.541 1.00 0.00 C ATOM 0 H ILE A 34 -13.165 4.791 4.287 1.00 0.00 H new ATOM 0 HA ILE A 34 -12.546 7.511 3.688 1.00 0.00 H new ATOM 0 HB ILE A 34 -14.394 6.935 5.135 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -12.678 8.943 5.634 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -14.093 8.655 6.626 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -14.059 5.857 7.337 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -13.562 4.793 6.000 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -12.332 5.644 6.964 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -12.079 8.970 8.044 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -12.714 7.318 8.229 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -11.277 7.611 7.221 1.00 0.00 H new ATOM 574 N GLU A 35 -10.423 5.829 5.550 1.00 0.00 N ATOM 575 CA GLU A 35 -9.092 5.885 6.134 1.00 0.00 C ATOM 576 C GLU A 35 -8.013 6.091 5.080 1.00 0.00 C ATOM 577 O GLU A 35 -7.122 6.912 5.261 1.00 0.00 O ATOM 578 CB GLU A 35 -8.807 4.629 6.971 1.00 0.00 C ATOM 579 CG GLU A 35 -9.677 4.629 8.250 1.00 0.00 C ATOM 580 CD GLU A 35 -9.276 5.772 9.187 1.00 0.00 C ATOM 581 OE1 GLU A 35 -8.169 6.242 9.076 1.00 0.00 O ATOM 582 OE2 GLU A 35 -10.079 6.148 10.014 1.00 0.00 O ATOM 0 H GLU A 35 -10.897 4.932 5.658 1.00 0.00 H new ATOM 0 HA GLU A 35 -9.067 6.752 6.794 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.014 3.736 6.382 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.751 4.595 7.241 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -10.728 4.728 7.979 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.570 3.675 8.767 1.00 0.00 H new ATOM 589 N LYS A 36 -8.138 5.405 3.955 1.00 0.00 N ATOM 590 CA LYS A 36 -7.203 5.562 2.859 1.00 0.00 C ATOM 591 C LYS A 36 -7.410 6.897 2.162 1.00 0.00 C ATOM 592 O LYS A 36 -6.442 7.571 1.776 1.00 0.00 O ATOM 593 CB LYS A 36 -7.272 4.338 1.897 1.00 0.00 C ATOM 594 CG LYS A 36 -7.649 4.743 0.462 1.00 0.00 C ATOM 595 CD LYS A 36 -9.161 4.997 0.400 1.00 0.00 C ATOM 596 CE LYS A 36 -9.773 4.332 -0.831 1.00 0.00 C ATOM 597 NZ LYS A 36 -9.789 2.851 -0.664 1.00 0.00 N ATOM 0 H LYS A 36 -8.883 4.731 3.779 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.187 5.581 3.252 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.307 3.832 1.887 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -8.003 3.623 2.274 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.103 5.640 0.167 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.370 3.955 -0.238 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.636 4.611 1.302 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.353 6.070 0.373 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.788 4.699 -0.984 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.200 4.599 -1.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.076 2.423 -1.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.572 2.611 0.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.730 2.484 -0.910 1.00 0.00 H new ATOM 611 N ASN A 37 -8.665 7.319 2.053 1.00 0.00 N ATOM 612 CA ASN A 37 -8.950 8.629 1.493 1.00 0.00 C ATOM 613 C ASN A 37 -8.408 9.709 2.402 1.00 0.00 C ATOM 614 O ASN A 37 -7.738 10.636 1.949 1.00 0.00 O ATOM 615 CB ASN A 37 -10.457 8.832 1.285 1.00 0.00 C ATOM 616 CG ASN A 37 -10.732 10.249 0.777 1.00 0.00 C ATOM 617 OD1 ASN A 37 -9.935 10.813 0.013 1.00 0.00 O ATOM 618 ND2 ASN A 37 -11.813 10.864 1.149 1.00 0.00 N ATOM 0 H ASN A 37 -9.484 6.783 2.339 1.00 0.00 H new ATOM 0 HA ASN A 37 -8.462 8.692 0.521 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -10.835 8.101 0.570 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -10.987 8.664 2.222 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -12.004 11.808 0.813 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -12.471 10.403 1.777 1.00 0.00 H new ATOM 625 N LYS A 38 -8.664 9.574 3.696 1.00 0.00 N ATOM 626 CA LYS A 38 -8.163 10.545 4.651 1.00 0.00 C ATOM 627 C LYS A 38 -6.660 10.406 4.872 1.00 0.00 C ATOM 628 O LYS A 38 -5.941 11.406 4.911 1.00 0.00 O ATOM 629 CB LYS A 38 -8.916 10.465 5.991 1.00 0.00 C ATOM 630 CG LYS A 38 -10.008 11.553 6.034 1.00 0.00 C ATOM 631 CD LYS A 38 -11.306 11.024 5.412 1.00 0.00 C ATOM 632 CE LYS A 38 -12.014 12.139 4.627 1.00 0.00 C ATOM 633 NZ LYS A 38 -11.977 13.411 5.399 1.00 0.00 N ATOM 0 H LYS A 38 -9.208 8.812 4.102 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.346 11.529 4.218 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -9.365 9.479 6.109 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.221 10.600 6.820 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.188 11.858 7.065 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.672 12.438 5.494 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.085 10.187 4.749 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.964 10.646 6.194 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.530 12.277 3.660 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.047 11.855 4.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -12.826 13.972 5.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -11.951 13.199 6.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.128 13.952 5.137 1.00 0.00 H new ATOM 647 N TYR A 39 -6.203 9.181 5.096 1.00 0.00 N ATOM 648 CA TYR A 39 -4.804 8.936 5.433 1.00 0.00 C ATOM 649 C TYR A 39 -4.096 8.113 4.369 1.00 0.00 C ATOM 650 O TYR A 39 -4.593 7.056 3.968 1.00 0.00 O ATOM 651 CB TYR A 39 -4.723 8.167 6.752 1.00 0.00 C ATOM 652 CG TYR A 39 -5.343 8.970 7.869 1.00 0.00 C ATOM 653 CD1 TYR A 39 -4.559 9.856 8.616 1.00 0.00 C ATOM 654 CD2 TYR A 39 -6.708 8.831 8.157 1.00 0.00 C ATOM 655 CE1 TYR A 39 -5.136 10.594 9.652 1.00 0.00 C ATOM 656 CE2 TYR A 39 -7.281 9.568 9.193 1.00 0.00 C ATOM 657 CZ TYR A 39 -6.495 10.454 9.937 1.00 0.00 C ATOM 658 OH TYR A 39 -7.060 11.179 10.962 1.00 0.00 O ATOM 0 H TYR A 39 -6.779 8.341 5.051 1.00 0.00 H new ATOM 0 HA TYR A 39 -4.316 9.908 5.509 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -5.237 7.211 6.655 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -3.682 7.947 6.988 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.509 9.969 8.392 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -7.316 8.153 7.576 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -4.530 11.273 10.233 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -8.331 9.455 9.421 1.00 0.00 H new ATOM 0 HH TYR A 39 -8.014 10.965 11.027 1.00 0.00 H new ATOM 668 N ASN A 40 -2.826 8.431 4.131 1.00 0.00 N ATOM 669 CA ASN A 40 -1.980 7.511 3.377 1.00 0.00 C ATOM 670 C ASN A 40 -1.899 6.225 4.191 1.00 0.00 C ATOM 671 O ASN A 40 -2.189 6.252 5.389 1.00 0.00 O ATOM 672 CB ASN A 40 -0.566 8.095 3.172 1.00 0.00 C ATOM 673 CG ASN A 40 -0.102 7.858 1.739 1.00 0.00 C ATOM 674 OD1 ASN A 40 -0.888 7.420 0.892 1.00 0.00 O ATOM 675 ND2 ASN A 40 1.132 8.099 1.412 1.00 0.00 N ATOM 0 H ASN A 40 -2.371 9.291 4.438 1.00 0.00 H new ATOM 0 HA ASN A 40 -2.400 7.333 2.387 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -0.571 9.163 3.389 1.00 0.00 H new ATOM 0 HB3 ASN A 40 0.132 7.631 3.869 1.00 0.00 H new ATOM 0 HD21 ASN A 40 1.450 7.927 0.458 1.00 0.00 H new ATOM 0 HD22 ASN A 40 1.783 8.461 2.109 1.00 0.00 H new ATOM 682 N PRO A 41 -1.575 5.104 3.602 1.00 0.00 N ATOM 683 CA PRO A 41 -1.585 3.831 4.393 1.00 0.00 C ATOM 684 C PRO A 41 -0.686 3.945 5.628 1.00 0.00 C ATOM 685 O PRO A 41 0.420 4.489 5.555 1.00 0.00 O ATOM 686 CB PRO A 41 -1.033 2.788 3.412 1.00 0.00 C ATOM 687 CG PRO A 41 -1.324 3.356 2.064 1.00 0.00 C ATOM 688 CD PRO A 41 -1.144 4.865 2.212 1.00 0.00 C ATOM 0 HA PRO A 41 -2.576 3.577 4.768 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.036 2.634 3.556 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -1.516 1.820 3.548 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -0.646 2.951 1.313 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -2.337 3.111 1.745 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -0.109 5.168 2.050 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -1.754 5.418 1.497 1.00 0.00 H new ATOM 696 N SER A 42 -1.185 3.472 6.763 1.00 0.00 N ATOM 697 CA SER A 42 -0.447 3.554 8.014 1.00 0.00 C ATOM 698 C SER A 42 0.646 2.499 8.065 1.00 0.00 C ATOM 699 O SER A 42 0.405 1.330 7.746 1.00 0.00 O ATOM 700 CB SER A 42 -1.398 3.353 9.194 1.00 0.00 C ATOM 701 OG SER A 42 -2.587 4.114 8.985 1.00 0.00 O ATOM 0 H SER A 42 -2.099 3.027 6.841 1.00 0.00 H new ATOM 0 HA SER A 42 0.012 4.541 8.075 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.644 2.296 9.300 1.00 0.00 H new ATOM 0 HB3 SER A 42 -0.914 3.662 10.121 1.00 0.00 H new ATOM 0 HG SER A 42 -3.196 3.983 9.741 1.00 0.00 H new ATOM 707 N LEU A 43 1.804 2.872 8.582 1.00 0.00 N ATOM 708 CA LEU A 43 2.874 1.913 8.778 1.00 0.00 C ATOM 709 C LEU A 43 2.454 0.842 9.763 1.00 0.00 C ATOM 710 O LEU A 43 2.714 -0.332 9.556 1.00 0.00 O ATOM 711 CB LEU A 43 4.166 2.594 9.236 1.00 0.00 C ATOM 712 CG LEU A 43 4.751 3.416 8.080 1.00 0.00 C ATOM 713 CD1 LEU A 43 5.928 4.257 8.588 1.00 0.00 C ATOM 714 CD2 LEU A 43 5.243 2.467 6.973 1.00 0.00 C ATOM 0 H LEU A 43 2.025 3.825 8.871 1.00 0.00 H new ATOM 0 HA LEU A 43 3.076 1.442 7.816 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.965 3.240 10.090 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.887 1.846 9.565 1.00 0.00 H new ATOM 0 HG LEU A 43 3.980 4.075 7.681 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.341 4.840 7.765 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.582 4.931 9.372 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.699 3.599 8.990 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.659 3.051 6.152 1.00 0.00 H new ATOM 0 HD22 LEU A 43 6.012 1.807 7.375 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.407 1.870 6.608 1.00 0.00 H new ATOM 726 N GLN A 44 1.762 1.249 10.817 1.00 0.00 N ATOM 727 CA GLN A 44 1.301 0.296 11.816 1.00 0.00 C ATOM 728 C GLN A 44 0.395 -0.745 11.182 1.00 0.00 C ATOM 729 O GLN A 44 0.598 -1.941 11.361 1.00 0.00 O ATOM 730 CB GLN A 44 0.575 1.005 12.955 1.00 0.00 C ATOM 731 CG GLN A 44 1.579 1.824 13.762 1.00 0.00 C ATOM 732 CD GLN A 44 0.865 2.539 14.891 1.00 0.00 C ATOM 733 OE1 GLN A 44 0.043 3.423 14.647 1.00 0.00 O ATOM 734 NE2 GLN A 44 1.115 2.209 16.114 1.00 0.00 N ATOM 0 H GLN A 44 1.510 2.220 11.002 1.00 0.00 H new ATOM 0 HA GLN A 44 2.176 -0.206 12.229 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -0.204 1.654 12.556 1.00 0.00 H new ATOM 0 HB3 GLN A 44 0.083 0.275 13.598 1.00 0.00 H new ATOM 0 HG2 GLN A 44 2.355 1.172 14.164 1.00 0.00 H new ATOM 0 HG3 GLN A 44 2.075 2.548 13.116 1.00 0.00 H new ATOM 0 HE21 GLN A 44 1.796 1.477 16.316 1.00 0.00 H new ATOM 0 HE22 GLN A 44 0.632 2.681 16.878 1.00 0.00 H new ATOM 743 N LEU A 45 -0.483 -0.300 10.297 1.00 0.00 N ATOM 744 CA LEU A 45 -1.286 -1.226 9.508 1.00 0.00 C ATOM 745 C LEU A 45 -0.366 -2.070 8.657 1.00 0.00 C ATOM 746 O LEU A 45 -0.577 -3.268 8.470 1.00 0.00 O ATOM 747 CB LEU A 45 -2.266 -0.474 8.601 1.00 0.00 C ATOM 748 CG LEU A 45 -3.365 0.191 9.430 1.00 0.00 C ATOM 749 CD1 LEU A 45 -4.203 1.099 8.523 1.00 0.00 C ATOM 750 CD2 LEU A 45 -4.271 -0.893 10.027 1.00 0.00 C ATOM 0 H LEU A 45 -0.658 0.687 10.107 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.862 -1.854 10.188 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.731 0.281 8.025 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.711 -1.165 7.885 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.916 0.781 10.229 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.988 1.575 9.110 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.563 1.865 8.084 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.654 0.504 7.729 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.057 -0.425 10.619 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.721 -1.475 9.223 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.680 -1.551 10.664 1.00 0.00 H new ATOM 762 N ALA A 46 0.650 -1.420 8.125 1.00 0.00 N ATOM 763 CA ALA A 46 1.606 -2.078 7.262 1.00 0.00 C ATOM 764 C ALA A 46 2.263 -3.277 7.943 1.00 0.00 C ATOM 765 O ALA A 46 2.765 -4.163 7.261 1.00 0.00 O ATOM 766 CB ALA A 46 2.674 -1.096 6.766 1.00 0.00 C ATOM 0 H ALA A 46 0.834 -0.428 8.278 1.00 0.00 H new ATOM 0 HA ALA A 46 1.049 -2.449 6.402 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.378 -1.620 6.120 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.197 -0.292 6.206 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.207 -0.677 7.619 1.00 0.00 H new ATOM 772 N LEU A 47 2.274 -3.311 9.280 1.00 0.00 N ATOM 773 CA LEU A 47 2.934 -4.428 9.966 1.00 0.00 C ATOM 774 C LEU A 47 2.287 -5.752 9.583 1.00 0.00 C ATOM 775 O LEU A 47 2.981 -6.678 9.162 1.00 0.00 O ATOM 776 CB LEU A 47 2.914 -4.255 11.502 1.00 0.00 C ATOM 777 CG LEU A 47 4.100 -3.390 11.992 1.00 0.00 C ATOM 778 CD1 LEU A 47 5.394 -4.210 11.984 1.00 0.00 C ATOM 779 CD2 LEU A 47 4.279 -2.144 11.119 1.00 0.00 C ATOM 0 H LEU A 47 1.852 -2.609 9.889 1.00 0.00 H new ATOM 0 HA LEU A 47 3.975 -4.432 9.644 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.975 -3.791 11.805 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.955 -5.234 11.980 1.00 0.00 H new ATOM 0 HG LEU A 47 3.877 -3.069 13.010 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.220 -3.589 12.331 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.284 -5.070 12.645 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.600 -4.555 10.971 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.120 -1.558 11.490 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.473 -2.446 10.090 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.372 -1.541 11.156 1.00 0.00 H new ATOM 791 N LYS A 48 0.959 -5.799 9.573 1.00 0.00 N ATOM 792 CA LYS A 48 0.260 -6.973 9.066 1.00 0.00 C ATOM 793 C LYS A 48 0.517 -7.171 7.582 1.00 0.00 C ATOM 794 O LYS A 48 0.709 -8.294 7.115 1.00 0.00 O ATOM 795 CB LYS A 48 -1.245 -6.912 9.362 1.00 0.00 C ATOM 796 CG LYS A 48 -1.475 -7.170 10.856 1.00 0.00 C ATOM 797 CD LYS A 48 -2.969 -7.087 11.185 1.00 0.00 C ATOM 798 CE LYS A 48 -3.192 -7.464 12.657 1.00 0.00 C ATOM 799 NZ LYS A 48 -3.023 -8.933 12.816 1.00 0.00 N ATOM 0 H LYS A 48 0.353 -5.049 9.905 1.00 0.00 H new ATOM 0 HA LYS A 48 0.661 -7.838 9.594 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.643 -5.936 9.083 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.776 -7.655 8.766 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.090 -8.153 11.126 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.924 -6.439 11.448 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.338 -6.079 10.997 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.533 -7.759 10.537 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.483 -6.933 13.292 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.191 -7.164 12.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.429 -9.233 13.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.511 -9.425 12.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.011 -9.170 12.794 1.00 0.00 H new ATOM 813 N ILE A 49 0.514 -6.079 6.851 1.00 0.00 N ATOM 814 CA ILE A 49 0.733 -6.127 5.415 1.00 0.00 C ATOM 815 C ILE A 49 2.144 -6.638 5.121 1.00 0.00 C ATOM 816 O ILE A 49 2.344 -7.440 4.205 1.00 0.00 O ATOM 817 CB ILE A 49 0.537 -4.721 4.817 1.00 0.00 C ATOM 818 CG1 ILE A 49 -0.926 -4.284 4.976 1.00 0.00 C ATOM 819 CG2 ILE A 49 0.885 -4.739 3.328 1.00 0.00 C ATOM 820 CD1 ILE A 49 -1.848 -5.219 4.184 1.00 0.00 C ATOM 0 H ILE A 49 0.362 -5.142 7.225 1.00 0.00 H new ATOM 0 HA ILE A 49 0.014 -6.809 4.961 1.00 0.00 H new ATOM 0 HB ILE A 49 1.189 -4.023 5.342 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.204 -4.295 6.030 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.047 -3.259 4.625 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.745 -3.742 2.910 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.924 -5.043 3.201 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.235 -5.444 2.811 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.883 -4.898 4.305 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.579 -5.186 3.128 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.738 -6.238 4.555 1.00 0.00 H new ATOM 832 N ALA A 50 3.110 -6.143 5.881 1.00 0.00 N ATOM 833 CA ALA A 50 4.520 -6.473 5.677 1.00 0.00 C ATOM 834 C ALA A 50 4.743 -7.977 5.652 1.00 0.00 C ATOM 835 O ALA A 50 5.663 -8.466 4.985 1.00 0.00 O ATOM 836 CB ALA A 50 5.379 -5.835 6.775 1.00 0.00 C ATOM 0 H ALA A 50 2.943 -5.502 6.656 1.00 0.00 H new ATOM 0 HA ALA A 50 4.817 -6.072 4.708 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.426 -6.089 6.611 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.259 -4.752 6.747 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.063 -6.210 7.748 1.00 0.00 H new ATOM 842 N TYR A 51 3.898 -8.720 6.353 1.00 0.00 N ATOM 843 CA TYR A 51 3.991 -10.176 6.318 1.00 0.00 C ATOM 844 C TYR A 51 3.719 -10.665 4.913 1.00 0.00 C ATOM 845 O TYR A 51 4.380 -11.579 4.414 1.00 0.00 O ATOM 846 CB TYR A 51 2.991 -10.821 7.277 1.00 0.00 C ATOM 847 CG TYR A 51 3.433 -10.592 8.696 1.00 0.00 C ATOM 848 CD1 TYR A 51 4.461 -11.363 9.240 1.00 0.00 C ATOM 849 CD2 TYR A 51 2.813 -9.617 9.468 1.00 0.00 C ATOM 850 CE1 TYR A 51 4.867 -11.153 10.558 1.00 0.00 C ATOM 851 CE2 TYR A 51 3.212 -9.410 10.786 1.00 0.00 C ATOM 852 CZ TYR A 51 4.243 -10.176 11.331 1.00 0.00 C ATOM 853 OH TYR A 51 4.635 -9.976 12.632 1.00 0.00 O ATOM 0 H TYR A 51 3.153 -8.350 6.943 1.00 0.00 H new ATOM 0 HA TYR A 51 4.997 -10.459 6.629 1.00 0.00 H new ATOM 0 HB2 TYR A 51 1.998 -10.398 7.122 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.917 -11.890 7.077 1.00 0.00 H new ATOM 0 HD1 TYR A 51 4.942 -12.122 8.641 1.00 0.00 H new ATOM 0 HD2 TYR A 51 2.020 -9.018 9.045 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.664 -11.747 10.979 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.723 -8.657 11.386 1.00 0.00 H new ATOM 0 HH TYR A 51 4.099 -9.257 13.028 1.00 0.00 H new ATOM 863 N TYR A 52 2.734 -10.055 4.288 1.00 0.00 N ATOM 864 CA TYR A 52 2.351 -10.394 2.936 1.00 0.00 C ATOM 865 C TYR A 52 2.919 -9.369 1.970 1.00 0.00 C ATOM 866 O TYR A 52 4.068 -8.956 2.111 1.00 0.00 O ATOM 867 CB TYR A 52 0.825 -10.464 2.832 1.00 0.00 C ATOM 868 CG TYR A 52 0.300 -11.248 4.011 1.00 0.00 C ATOM 869 CD1 TYR A 52 0.491 -12.632 4.073 1.00 0.00 C ATOM 870 CD2 TYR A 52 -0.370 -10.586 5.046 1.00 0.00 C ATOM 871 CE1 TYR A 52 0.022 -13.351 5.178 1.00 0.00 C ATOM 872 CE2 TYR A 52 -0.839 -11.306 6.144 1.00 0.00 C ATOM 873 CZ TYR A 52 -0.647 -12.688 6.210 1.00 0.00 C ATOM 874 OH TYR A 52 -1.102 -13.394 7.304 1.00 0.00 O ATOM 0 H TYR A 52 2.176 -9.309 4.705 1.00 0.00 H new ATOM 0 HA TYR A 52 2.756 -11.372 2.674 1.00 0.00 H new ATOM 0 HB2 TYR A 52 0.399 -9.461 2.825 1.00 0.00 H new ATOM 0 HB3 TYR A 52 0.530 -10.942 1.898 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.999 -13.145 3.270 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.524 -9.518 4.994 1.00 0.00 H new ATOM 0 HE1 TYR A 52 0.177 -14.418 5.233 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.352 -10.794 6.945 1.00 0.00 H new ATOM 0 HH TYR A 52 -1.544 -12.781 7.928 1.00 0.00 H new ATOM 884 N LEU A 53 2.133 -8.988 0.973 1.00 0.00 N ATOM 885 CA LEU A 53 2.554 -8.048 -0.075 1.00 0.00 C ATOM 886 C LEU A 53 3.812 -8.512 -0.825 1.00 0.00 C ATOM 887 O LEU A 53 4.036 -8.100 -1.957 1.00 0.00 O ATOM 888 CB LEU A 53 2.731 -6.610 0.470 1.00 0.00 C ATOM 889 CG LEU A 53 1.970 -5.608 -0.436 1.00 0.00 C ATOM 890 CD1 LEU A 53 2.097 -4.192 0.121 1.00 0.00 C ATOM 891 CD2 LEU A 53 2.544 -5.630 -1.857 1.00 0.00 C ATOM 0 H LEU A 53 1.176 -9.321 0.861 1.00 0.00 H new ATOM 0 HA LEU A 53 1.741 -8.032 -0.801 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.355 -6.549 1.491 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.789 -6.352 0.504 1.00 0.00 H new ATOM 0 HG LEU A 53 0.921 -5.903 -0.460 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.558 -3.498 -0.524 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.674 -4.157 1.125 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.149 -3.909 0.160 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.999 -4.921 -2.481 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.598 -5.352 -1.828 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.444 -6.632 -2.274 1.00 0.00 H new ATOM 903 N ASN A 54 4.656 -9.313 -0.190 1.00 0.00 N ATOM 904 CA ASN A 54 5.874 -9.809 -0.839 1.00 0.00 C ATOM 905 C ASN A 54 6.662 -8.653 -1.423 1.00 0.00 C ATOM 906 O ASN A 54 7.207 -8.756 -2.528 1.00 0.00 O ATOM 907 CB ASN A 54 5.530 -10.805 -1.959 1.00 0.00 C ATOM 908 CG ASN A 54 5.008 -12.107 -1.376 1.00 0.00 C ATOM 909 OD1 ASN A 54 5.652 -12.704 -0.509 1.00 0.00 O ATOM 910 ND2 ASN A 54 3.880 -12.594 -1.797 1.00 0.00 N ATOM 0 H ASN A 54 4.526 -9.635 0.769 1.00 0.00 H new ATOM 0 HA ASN A 54 6.474 -10.318 -0.085 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.781 -10.371 -2.621 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.416 -11.000 -2.564 1.00 0.00 H new ATOM 0 HD21 ASN A 54 3.527 -13.470 -1.411 1.00 0.00 H new ATOM 0 HD22 ASN A 54 3.347 -12.101 -2.514 1.00 0.00 H new ATOM 917 N THR A 55 6.632 -7.533 -0.734 1.00 0.00 N ATOM 918 CA THR A 55 7.265 -6.321 -1.212 1.00 0.00 C ATOM 919 C THR A 55 7.736 -5.485 -0.032 1.00 0.00 C ATOM 920 O THR A 55 6.939 -5.140 0.846 1.00 0.00 O ATOM 921 CB THR A 55 6.254 -5.521 -2.042 1.00 0.00 C ATOM 922 OG1 THR A 55 5.603 -6.395 -2.974 1.00 0.00 O ATOM 923 CG2 THR A 55 6.967 -4.394 -2.795 1.00 0.00 C ATOM 0 H THR A 55 6.170 -7.436 0.170 1.00 0.00 H new ATOM 0 HA THR A 55 8.126 -6.578 -1.830 1.00 0.00 H new ATOM 0 HB THR A 55 5.510 -5.083 -1.377 1.00 0.00 H new ATOM 0 HG1 THR A 55 4.875 -6.871 -2.522 1.00 0.00 H new ATOM 0 HG21 THR A 55 6.240 -3.832 -3.382 1.00 0.00 H new ATOM 0 HG22 THR A 55 7.450 -3.728 -2.080 1.00 0.00 H new ATOM 0 HG23 THR A 55 7.719 -4.819 -3.460 1.00 0.00 H new ATOM 931 N PRO A 56 8.999 -5.148 0.019 1.00 0.00 N ATOM 932 CA PRO A 56 9.506 -4.320 1.145 1.00 0.00 C ATOM 933 C PRO A 56 8.859 -2.939 1.134 1.00 0.00 C ATOM 934 O PRO A 56 8.684 -2.330 0.077 1.00 0.00 O ATOM 935 CB PRO A 56 11.006 -4.219 0.863 1.00 0.00 C ATOM 936 CG PRO A 56 11.118 -4.332 -0.619 1.00 0.00 C ATOM 937 CD PRO A 56 10.011 -5.291 -1.052 1.00 0.00 C ATOM 0 HA PRO A 56 9.284 -4.747 2.123 1.00 0.00 H new ATOM 0 HB2 PRO A 56 11.414 -3.274 1.220 1.00 0.00 H new ATOM 0 HB3 PRO A 56 11.558 -5.014 1.364 1.00 0.00 H new ATOM 0 HG2 PRO A 56 10.999 -3.359 -1.095 1.00 0.00 H new ATOM 0 HG3 PRO A 56 12.098 -4.711 -0.909 1.00 0.00 H new ATOM 0 HD2 PRO A 56 9.605 -5.023 -2.027 1.00 0.00 H new ATOM 0 HD3 PRO A 56 10.374 -6.316 -1.129 1.00 0.00 H new ATOM 945 N LEU A 57 8.535 -2.442 2.306 1.00 0.00 N ATOM 946 CA LEU A 57 7.911 -1.140 2.435 1.00 0.00 C ATOM 947 C LEU A 57 8.859 -0.053 1.975 1.00 0.00 C ATOM 948 O LEU A 57 8.451 0.911 1.337 1.00 0.00 O ATOM 949 CB LEU A 57 7.460 -0.898 3.876 1.00 0.00 C ATOM 950 CG LEU A 57 6.343 -1.898 4.243 1.00 0.00 C ATOM 951 CD1 LEU A 57 5.981 -1.752 5.720 1.00 0.00 C ATOM 952 CD2 LEU A 57 5.097 -1.643 3.384 1.00 0.00 C ATOM 0 H LEU A 57 8.694 -2.922 3.192 1.00 0.00 H new ATOM 0 HA LEU A 57 7.027 -1.115 1.798 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.304 -1.014 4.556 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.098 0.124 3.988 1.00 0.00 H new ATOM 0 HG LEU A 57 6.704 -2.909 4.055 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.192 -2.460 5.973 1.00 0.00 H new ATOM 0 HD12 LEU A 57 6.860 -1.954 6.332 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.632 -0.737 5.910 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.317 -2.355 3.653 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.737 -0.629 3.557 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.350 -1.764 2.331 1.00 0.00 H new ATOM 964 N GLU A 58 10.133 -0.222 2.301 1.00 0.00 N ATOM 965 CA GLU A 58 11.164 0.744 1.947 1.00 0.00 C ATOM 966 C GLU A 58 11.004 1.208 0.503 1.00 0.00 C ATOM 967 O GLU A 58 11.421 2.310 0.148 1.00 0.00 O ATOM 968 CB GLU A 58 12.556 0.130 2.139 1.00 0.00 C ATOM 969 CG GLU A 58 12.805 -0.157 3.631 1.00 0.00 C ATOM 970 CD GLU A 58 14.185 -0.772 3.846 1.00 0.00 C ATOM 971 OE1 GLU A 58 14.927 -0.884 2.891 1.00 0.00 O ATOM 972 OE2 GLU A 58 14.483 -1.127 4.957 1.00 0.00 O ATOM 0 H GLU A 58 10.480 -1.030 2.817 1.00 0.00 H new ATOM 0 HA GLU A 58 11.056 1.607 2.604 1.00 0.00 H new ATOM 0 HB2 GLU A 58 12.638 -0.793 1.564 1.00 0.00 H new ATOM 0 HB3 GLU A 58 13.318 0.811 1.759 1.00 0.00 H new ATOM 0 HG2 GLU A 58 12.722 0.768 4.202 1.00 0.00 H new ATOM 0 HG3 GLU A 58 12.038 -0.834 4.008 1.00 0.00 H new ATOM 979 N ASP A 59 10.384 0.372 -0.317 1.00 0.00 N ATOM 980 CA ASP A 59 10.182 0.693 -1.721 1.00 0.00 C ATOM 981 C ASP A 59 9.384 1.977 -1.874 1.00 0.00 C ATOM 982 O ASP A 59 9.601 2.736 -2.826 1.00 0.00 O ATOM 983 CB ASP A 59 9.495 -0.463 -2.457 1.00 0.00 C ATOM 984 CG ASP A 59 9.640 -0.275 -3.955 1.00 0.00 C ATOM 985 OD1 ASP A 59 10.759 -0.268 -4.424 1.00 0.00 O ATOM 986 OD2 ASP A 59 8.645 -0.147 -4.621 1.00 0.00 O ATOM 0 H ASP A 59 10.012 -0.534 -0.033 1.00 0.00 H new ATOM 0 HA ASP A 59 11.162 0.845 -2.173 1.00 0.00 H new ATOM 0 HB2 ASP A 59 9.937 -1.412 -2.156 1.00 0.00 H new ATOM 0 HB3 ASP A 59 8.440 -0.503 -2.186 1.00 0.00 H new ATOM 991 N ILE A 60 8.507 2.260 -0.919 1.00 0.00 N ATOM 992 CA ILE A 60 7.736 3.501 -0.963 1.00 0.00 C ATOM 993 C ILE A 60 8.656 4.687 -0.699 1.00 0.00 C ATOM 994 O ILE A 60 8.284 5.841 -0.929 1.00 0.00 O ATOM 995 CB ILE A 60 6.580 3.500 0.061 1.00 0.00 C ATOM 996 CG1 ILE A 60 7.116 3.668 1.491 1.00 0.00 C ATOM 997 CG2 ILE A 60 5.799 2.183 -0.033 1.00 0.00 C ATOM 998 CD1 ILE A 60 5.941 3.836 2.453 1.00 0.00 C ATOM 0 H ILE A 60 8.312 1.661 -0.117 1.00 0.00 H new ATOM 0 HA ILE A 60 7.297 3.583 -1.957 1.00 0.00 H new ATOM 0 HB ILE A 60 5.922 4.338 -0.170 1.00 0.00 H new ATOM 0 HG12 ILE A 60 7.711 2.799 1.773 1.00 0.00 H new ATOM 0 HG13 ILE A 60 7.773 4.536 1.546 1.00 0.00 H new ATOM 0 HG21 ILE A 60 4.985 2.190 0.692 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.389 2.074 -1.037 1.00 0.00 H new ATOM 0 HG23 ILE A 60 6.467 1.348 0.179 1.00 0.00 H new ATOM 0 HD11 ILE A 60 6.317 3.956 3.469 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.365 4.718 2.173 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.302 2.954 2.404 1.00 0.00 H new