USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 460 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 13 GLN : amide:sc= 0.483 K(o=1,f=-0.59) USER MOD Set 1.2: A 17 GLN : amide:sc= 0.523 K(o=1,f=-0.046) USER MOD Single : A 4 ASN : amide:sc= -0.272 X(o=-0.27,f=-0.61) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 THR OG1 : rot 105:sc= 0.589 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -171:sc= 1.05 (180deg=0.878) USER MOD Single : A 19 LYS NZ :NH3+ -107:sc= 1.29 (180deg=0.333) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 ASN : amide:sc= 0.531 K(o=0.53,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A3291 THR OG1 : rot 180:sc= 0 USER MOD Single : A3295 GLN : amide:sc= -0.106 X(o=-0.11,f=-0.11) USER MOD Single : A3299 SER OG : rot 180:sc= 0 USER MOD Single : A3301 GLN : amide:sc= -0.18 K(o=-0.18,f=-3.9!) USER MOD Single : A3302 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A3306 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A3308 SER OG : rot 180:sc= 0 USER MOD Single : A3315 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A3317 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 32 N ILE A 3 -25.798 8.985 -1.089 1.00 0.00 N ATOM 33 CA ILE A 3 -24.932 8.309 -2.053 1.00 0.00 C ATOM 34 C ILE A 3 -24.043 7.299 -1.324 1.00 0.00 C ATOM 35 O ILE A 3 -23.468 7.606 -0.277 1.00 0.00 O ATOM 36 CB ILE A 3 -24.138 9.334 -2.905 1.00 0.00 C ATOM 37 CG1 ILE A 3 -23.570 8.633 -4.154 1.00 0.00 C ATOM 38 CG2 ILE A 3 -23.037 10.080 -2.127 1.00 0.00 C ATOM 39 CD1 ILE A 3 -23.292 9.618 -5.291 1.00 0.00 C ATOM 0 HA ILE A 3 -25.538 7.748 -2.764 1.00 0.00 H new ATOM 0 HB ILE A 3 -24.841 10.111 -3.205 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -22.648 8.115 -3.890 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -24.275 7.875 -4.496 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -22.529 10.777 -2.793 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -23.485 10.630 -1.300 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -22.316 9.361 -1.737 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -22.893 9.079 -6.150 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -24.218 10.117 -5.574 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -22.566 10.361 -4.960 1.00 0.00 H new ATOM 51 N ASN A 4 -23.895 6.119 -1.926 1.00 0.00 N ATOM 52 CA ASN A 4 -23.100 4.991 -1.443 1.00 0.00 C ATOM 53 C ASN A 4 -21.824 4.837 -2.271 1.00 0.00 C ATOM 54 O ASN A 4 -20.753 4.803 -1.682 1.00 0.00 O ATOM 55 CB ASN A 4 -23.924 3.694 -1.423 1.00 0.00 C ATOM 56 CG ASN A 4 -24.589 3.444 -2.764 1.00 0.00 C ATOM 57 OD1 ASN A 4 -25.637 4.016 -3.060 1.00 0.00 O ATOM 58 ND2 ASN A 4 -23.934 2.734 -3.651 1.00 0.00 N ATOM 0 H ASN A 4 -24.353 5.914 -2.814 1.00 0.00 H new ATOM 0 HA ASN A 4 -22.806 5.199 -0.414 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -23.277 2.853 -1.173 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -24.683 3.755 -0.643 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -24.292 2.650 -4.602 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -23.066 2.266 -3.390 1.00 0.00 H new ATOM 65 N GLU A 5 -21.887 4.936 -3.603 1.00 0.00 N ATOM 66 CA GLU A 5 -20.741 4.782 -4.518 1.00 0.00 C ATOM 67 C GLU A 5 -19.635 5.782 -4.194 1.00 0.00 C ATOM 68 O GLU A 5 -18.452 5.455 -4.145 1.00 0.00 O ATOM 69 CB GLU A 5 -21.184 5.056 -5.959 1.00 0.00 C ATOM 70 CG GLU A 5 -21.961 3.897 -6.578 1.00 0.00 C ATOM 71 CD GLU A 5 -22.785 4.409 -7.755 1.00 0.00 C ATOM 72 OE1 GLU A 5 -22.261 4.473 -8.890 1.00 0.00 O ATOM 73 OE2 GLU A 5 -23.950 4.796 -7.512 1.00 0.00 O ATOM 0 H GLU A 5 -22.760 5.131 -4.093 1.00 0.00 H new ATOM 0 HA GLU A 5 -20.371 3.764 -4.401 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -21.804 5.952 -5.978 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -20.305 5.263 -6.570 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -21.273 3.121 -6.912 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -22.614 3.444 -5.833 1.00 0.00 H new ATOM 80 N GLN A 6 -20.040 7.020 -3.942 1.00 0.00 N ATOM 81 CA GLN A 6 -19.105 8.085 -3.618 1.00 0.00 C ATOM 82 C GLN A 6 -18.529 7.873 -2.217 1.00 0.00 C ATOM 83 O GLN A 6 -17.437 8.355 -1.914 1.00 0.00 O ATOM 84 CB GLN A 6 -19.774 9.447 -3.826 1.00 0.00 C ATOM 85 CG GLN A 6 -18.884 10.389 -4.645 1.00 0.00 C ATOM 86 CD GLN A 6 -19.709 11.466 -5.332 1.00 0.00 C ATOM 87 OE1 GLN A 6 -19.897 11.455 -6.542 1.00 0.00 O ATOM 88 NE2 GLN A 6 -20.256 12.406 -4.588 1.00 0.00 N ATOM 0 H GLN A 6 -21.018 7.311 -3.957 1.00 0.00 H new ATOM 0 HA GLN A 6 -18.251 8.063 -4.295 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -20.728 9.311 -4.335 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -19.991 9.899 -2.858 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -18.145 10.854 -3.993 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -18.334 9.816 -5.392 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -20.099 12.415 -3.580 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -20.836 13.125 -5.020 1.00 0.00 H new ATOM 97 N THR A 7 -19.272 7.212 -1.326 1.00 0.00 N ATOM 98 CA THR A 7 -18.782 6.938 0.018 1.00 0.00 C ATOM 99 C THR A 7 -17.698 5.870 0.000 1.00 0.00 C ATOM 100 O THR A 7 -16.712 6.031 0.708 1.00 0.00 O ATOM 101 CB THR A 7 -19.898 6.451 0.929 1.00 0.00 C ATOM 102 OG1 THR A 7 -20.937 7.401 0.906 1.00 0.00 O ATOM 103 CG2 THR A 7 -19.335 6.318 2.346 1.00 0.00 C ATOM 0 H THR A 7 -20.211 6.860 -1.514 1.00 0.00 H new ATOM 0 HA THR A 7 -18.379 7.877 0.396 1.00 0.00 H new ATOM 0 HB THR A 7 -20.284 5.487 0.599 1.00 0.00 H new ATOM 0 HG1 THR A 7 -21.679 7.061 0.363 1.00 0.00 H new ATOM 0 HG21 THR A 7 -20.119 5.969 3.018 1.00 0.00 H new ATOM 0 HG22 THR A 7 -18.513 5.602 2.345 1.00 0.00 H new ATOM 0 HG23 THR A 7 -18.971 7.288 2.685 1.00 0.00 H new ATOM 111 N LEU A 8 -17.800 4.860 -0.874 1.00 0.00 N ATOM 112 CA LEU A 8 -16.850 3.758 -0.983 1.00 0.00 C ATOM 113 C LEU A 8 -15.452 4.337 -1.152 1.00 0.00 C ATOM 114 O LEU A 8 -14.509 3.713 -0.705 1.00 0.00 O ATOM 115 CB LEU A 8 -17.114 2.882 -2.218 1.00 0.00 C ATOM 116 CG LEU A 8 -18.571 2.553 -2.579 1.00 0.00 C ATOM 117 CD1 LEU A 8 -18.662 1.634 -3.794 1.00 0.00 C ATOM 118 CD2 LEU A 8 -19.335 1.932 -1.426 1.00 0.00 C ATOM 0 H LEU A 8 -18.569 4.790 -1.541 1.00 0.00 H new ATOM 0 HA LEU A 8 -16.952 3.152 -0.083 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -16.661 3.375 -3.078 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -16.585 1.939 -2.076 1.00 0.00 H new ATOM 0 HG LEU A 8 -19.033 3.511 -2.818 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -19.709 1.426 -4.015 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -18.199 2.120 -4.653 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -18.143 0.699 -3.583 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -20.358 1.721 -1.739 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -18.849 1.004 -1.125 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -19.349 2.624 -0.584 1.00 0.00 H new ATOM 130 N ASP A 9 -15.314 5.524 -1.748 1.00 0.00 N ATOM 131 CA ASP A 9 -14.040 6.198 -1.964 1.00 0.00 C ATOM 132 C ASP A 9 -13.238 6.315 -0.661 1.00 0.00 C ATOM 133 O ASP A 9 -12.031 6.050 -0.664 1.00 0.00 O ATOM 134 CB ASP A 9 -14.271 7.601 -2.517 1.00 0.00 C ATOM 135 CG ASP A 9 -12.939 8.325 -2.717 1.00 0.00 C ATOM 136 OD1 ASP A 9 -12.504 9.004 -1.764 1.00 0.00 O ATOM 137 OD2 ASP A 9 -12.310 8.231 -3.795 1.00 0.00 O ATOM 0 H ASP A 9 -16.110 6.054 -2.102 1.00 0.00 H new ATOM 0 HA ASP A 9 -13.475 5.598 -2.678 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -14.805 7.541 -3.465 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -14.901 8.169 -1.832 1.00 0.00 H new ATOM 142 N LYS A 10 -13.874 6.692 0.452 1.00 0.00 N ATOM 143 CA LYS A 10 -13.181 6.818 1.738 1.00 0.00 C ATOM 144 C LYS A 10 -12.796 5.437 2.275 1.00 0.00 C ATOM 145 O LYS A 10 -11.904 5.331 3.118 1.00 0.00 O ATOM 146 CB LYS A 10 -13.973 7.665 2.747 1.00 0.00 C ATOM 147 CG LYS A 10 -15.042 6.868 3.498 1.00 0.00 C ATOM 148 CD LYS A 10 -15.825 7.673 4.513 1.00 0.00 C ATOM 149 CE LYS A 10 -15.006 7.851 5.792 1.00 0.00 C ATOM 150 NZ LYS A 10 -15.719 8.664 6.789 1.00 0.00 N ATOM 0 H LYS A 10 -14.869 6.915 0.489 1.00 0.00 H new ATOM 0 HA LYS A 10 -12.254 7.368 1.574 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -13.281 8.101 3.468 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -14.449 8.493 2.222 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -15.738 6.444 2.774 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -14.563 6.031 4.007 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -16.079 8.648 4.097 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -16.764 7.169 4.741 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -14.778 6.873 6.216 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -14.054 8.324 5.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -15.131 8.762 7.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -15.915 9.606 6.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -16.616 8.200 7.038 1.00 0.00 H new ATOM 164 N LEU A 11 -13.568 4.405 1.922 1.00 0.00 N ATOM 165 CA LEU A 11 -13.336 3.033 2.337 1.00 0.00 C ATOM 166 C LEU A 11 -12.166 2.468 1.532 1.00 0.00 C ATOM 167 O LEU A 11 -11.209 1.962 2.110 1.00 0.00 O ATOM 168 CB LEU A 11 -14.597 2.152 2.174 1.00 0.00 C ATOM 169 CG LEU A 11 -15.758 2.319 3.177 1.00 0.00 C ATOM 170 CD1 LEU A 11 -15.345 2.289 4.646 1.00 0.00 C ATOM 171 CD2 LEU A 11 -16.588 3.573 2.934 1.00 0.00 C ATOM 0 H LEU A 11 -14.389 4.511 1.326 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.093 3.026 3.400 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -14.996 2.329 1.175 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -14.278 1.110 2.209 1.00 0.00 H new ATOM 0 HG LEU A 11 -16.366 1.435 2.982 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -16.227 2.414 5.274 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -14.871 1.334 4.871 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -14.642 3.098 4.843 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -17.387 3.630 3.673 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -15.951 4.453 3.020 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -17.021 3.535 1.934 1.00 0.00 H new ATOM 183 N ARG A 12 -12.171 2.546 0.203 1.00 0.00 N ATOM 184 CA ARG A 12 -11.090 2.006 -0.633 1.00 0.00 C ATOM 185 C ARG A 12 -9.765 2.622 -0.281 1.00 0.00 C ATOM 186 O ARG A 12 -8.796 1.891 -0.133 1.00 0.00 O ATOM 187 CB ARG A 12 -11.386 2.031 -2.135 1.00 0.00 C ATOM 188 CG ARG A 12 -12.169 3.229 -2.684 1.00 0.00 C ATOM 189 CD ARG A 12 -11.416 4.079 -3.703 1.00 0.00 C ATOM 190 NE ARG A 12 -10.835 5.300 -3.110 1.00 0.00 N ATOM 191 CZ ARG A 12 -9.816 6.021 -3.589 1.00 0.00 C ATOM 192 NH1 ARG A 12 -9.073 5.542 -4.571 1.00 0.00 N ATOM 193 NH2 ARG A 12 -9.534 7.207 -3.064 1.00 0.00 N ATOM 0 H ARG A 12 -12.923 2.985 -0.329 1.00 0.00 H new ATOM 0 HA ARG A 12 -11.027 0.944 -0.395 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -10.435 1.979 -2.666 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -11.939 1.125 -2.384 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -13.087 2.864 -3.145 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -12.463 3.865 -1.849 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -10.620 3.483 -4.150 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -12.095 4.359 -4.509 1.00 0.00 H new ATOM 0 HE ARG A 12 -11.256 5.629 -2.241 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -9.277 4.623 -4.963 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -8.295 6.091 -4.937 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -10.095 7.570 -2.293 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -8.756 7.755 -3.431 1.00 0.00 H new ATOM 207 N GLN A 13 -9.717 3.929 -0.067 1.00 0.00 N ATOM 208 CA GLN A 13 -8.475 4.577 0.312 1.00 0.00 C ATOM 209 C GLN A 13 -7.961 4.029 1.661 1.00 0.00 C ATOM 210 O GLN A 13 -6.756 3.948 1.883 1.00 0.00 O ATOM 211 CB GLN A 13 -8.619 6.093 0.203 1.00 0.00 C ATOM 212 CG GLN A 13 -9.506 6.688 1.289 1.00 0.00 C ATOM 213 CD GLN A 13 -8.742 6.984 2.576 1.00 0.00 C ATOM 214 OE1 GLN A 13 -7.552 7.306 2.569 1.00 0.00 O ATOM 215 NE2 GLN A 13 -9.402 6.786 3.704 1.00 0.00 N ATOM 0 H GLN A 13 -10.518 4.555 -0.149 1.00 0.00 H new ATOM 0 HA GLN A 13 -7.677 4.329 -0.388 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.631 6.551 0.258 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -9.033 6.343 -0.774 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -9.958 7.609 0.920 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.321 5.997 1.506 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -10.386 6.520 3.679 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -8.927 6.899 4.599 1.00 0.00 H new ATOM 224 N ALA A 14 -8.843 3.618 2.577 1.00 0.00 N ATOM 225 CA ALA A 14 -8.423 3.053 3.855 1.00 0.00 C ATOM 226 C ALA A 14 -7.798 1.668 3.595 1.00 0.00 C ATOM 227 O ALA A 14 -6.783 1.303 4.196 1.00 0.00 O ATOM 228 CB ALA A 14 -9.628 2.962 4.792 1.00 0.00 C ATOM 0 H ALA A 14 -9.854 3.668 2.453 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.678 3.687 4.335 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -9.315 2.540 5.747 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.040 3.958 4.953 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.389 2.323 4.345 1.00 0.00 H new ATOM 234 N VAL A 15 -8.389 0.890 2.680 1.00 0.00 N ATOM 235 CA VAL A 15 -7.896 -0.438 2.312 1.00 0.00 C ATOM 236 C VAL A 15 -6.586 -0.295 1.517 1.00 0.00 C ATOM 237 O VAL A 15 -5.672 -1.104 1.665 1.00 0.00 O ATOM 238 CB VAL A 15 -8.984 -1.235 1.566 1.00 0.00 C ATOM 239 CG1 VAL A 15 -8.567 -2.688 1.303 1.00 0.00 C ATOM 240 CG2 VAL A 15 -10.285 -1.271 2.373 1.00 0.00 C ATOM 0 H VAL A 15 -9.229 1.169 2.172 1.00 0.00 H new ATOM 0 HA VAL A 15 -7.667 -1.016 3.208 1.00 0.00 H new ATOM 0 HB VAL A 15 -9.129 -0.722 0.615 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.368 -3.206 0.775 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.663 -2.703 0.695 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -8.374 -3.189 2.252 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -11.037 -1.839 1.826 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -10.102 -1.746 3.337 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -10.643 -0.254 2.532 1.00 0.00 H new ATOM 250 N LEU A 16 -6.438 0.746 0.692 1.00 0.00 N ATOM 251 CA LEU A 16 -5.190 0.946 -0.048 1.00 0.00 C ATOM 252 C LEU A 16 -4.104 1.336 0.962 1.00 0.00 C ATOM 253 O LEU A 16 -2.998 0.821 0.854 1.00 0.00 O ATOM 254 CB LEU A 16 -5.305 1.864 -1.294 1.00 0.00 C ATOM 255 CG LEU A 16 -5.290 3.394 -1.124 1.00 0.00 C ATOM 256 CD1 LEU A 16 -3.891 4.010 -1.054 1.00 0.00 C ATOM 257 CD2 LEU A 16 -6.091 4.085 -2.250 1.00 0.00 C ATOM 0 H LEU A 16 -7.154 1.452 0.522 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.902 0.009 -0.525 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.487 1.604 -1.965 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.232 1.603 -1.805 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.761 3.570 -0.157 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.975 5.090 -0.934 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.351 3.591 -0.205 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.349 3.788 -1.973 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -6.064 5.165 -2.106 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.650 3.837 -3.215 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.125 3.741 -2.225 1.00 0.00 H new ATOM 269 N GLN A 17 -4.411 2.124 2.005 1.00 0.00 N ATOM 270 CA GLN A 17 -3.417 2.528 3.000 1.00 0.00 C ATOM 271 C GLN A 17 -2.741 1.335 3.685 1.00 0.00 C ATOM 272 O GLN A 17 -1.508 1.280 3.682 1.00 0.00 O ATOM 273 CB GLN A 17 -4.026 3.477 4.041 1.00 0.00 C ATOM 274 CG GLN A 17 -4.000 4.922 3.535 1.00 0.00 C ATOM 275 CD GLN A 17 -4.401 5.909 4.623 1.00 0.00 C ATOM 276 OE1 GLN A 17 -3.823 5.912 5.708 1.00 0.00 O ATOM 277 NE2 GLN A 17 -5.383 6.760 4.399 1.00 0.00 N ATOM 0 H GLN A 17 -5.346 2.493 2.177 1.00 0.00 H new ATOM 0 HA GLN A 17 -2.639 3.062 2.455 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.053 3.180 4.255 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -3.471 3.404 4.976 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.000 5.163 3.176 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -4.676 5.022 2.686 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -5.864 6.759 3.499 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -5.662 7.419 5.125 1.00 0.00 H new ATOM 286 N LYS A 18 -3.486 0.345 4.205 1.00 0.00 N ATOM 287 CA LYS A 18 -2.835 -0.810 4.839 1.00 0.00 C ATOM 288 C LYS A 18 -2.000 -1.560 3.803 1.00 0.00 C ATOM 289 O LYS A 18 -0.868 -1.937 4.102 1.00 0.00 O ATOM 290 CB LYS A 18 -3.863 -1.738 5.508 1.00 0.00 C ATOM 291 CG LYS A 18 -4.871 -2.257 4.473 1.00 0.00 C ATOM 292 CD LYS A 18 -6.186 -2.749 5.031 1.00 0.00 C ATOM 293 CE LYS A 18 -6.053 -4.056 5.834 1.00 0.00 C ATOM 294 NZ LYS A 18 -5.424 -5.167 5.072 1.00 0.00 N ATOM 0 H LYS A 18 -4.506 0.320 4.200 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.175 -0.449 5.628 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -3.352 -2.577 5.979 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -4.388 -1.200 6.298 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -5.076 -1.459 3.760 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.406 -3.071 3.916 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -6.612 -1.978 5.673 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -6.886 -2.904 4.210 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.463 -3.863 6.730 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -7.043 -4.370 6.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.505 -6.050 5.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.907 -5.278 4.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.420 -4.951 4.909 1.00 0.00 H new ATOM 308 N LYS A 19 -2.518 -1.719 2.576 1.00 0.00 N ATOM 309 CA LYS A 19 -1.826 -2.410 1.496 1.00 0.00 C ATOM 310 C LYS A 19 -0.451 -1.778 1.266 1.00 0.00 C ATOM 311 O LYS A 19 0.494 -2.524 1.021 1.00 0.00 O ATOM 312 CB LYS A 19 -2.696 -2.448 0.217 1.00 0.00 C ATOM 313 CG LYS A 19 -3.675 -3.635 0.187 1.00 0.00 C ATOM 314 CD LYS A 19 -4.551 -3.657 -1.083 1.00 0.00 C ATOM 315 CE LYS A 19 -5.246 -5.021 -1.217 1.00 0.00 C ATOM 316 NZ LYS A 19 -4.635 -5.878 -2.258 1.00 0.00 N ATOM 0 H LYS A 19 -3.437 -1.366 2.311 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.659 -3.449 1.780 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.260 -1.518 0.141 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.046 -2.499 -0.656 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.112 -4.566 0.250 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.318 -3.591 1.066 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.296 -2.863 -1.035 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.936 -3.465 -1.962 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.208 -5.539 -0.259 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.299 -4.865 -1.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.266 -5.925 -3.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -3.719 -5.477 -2.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -4.490 -6.835 -1.878 1.00 0.00 H new ATOM 330 N ILE A 20 -0.278 -0.459 1.443 1.00 0.00 N ATOM 331 CA ILE A 20 1.024 0.182 1.242 1.00 0.00 C ATOM 332 C ILE A 20 2.029 -0.416 2.227 1.00 0.00 C ATOM 333 O ILE A 20 3.156 -0.729 1.848 1.00 0.00 O ATOM 334 CB ILE A 20 0.979 1.724 1.371 1.00 0.00 C ATOM 335 CG1 ILE A 20 -0.224 2.403 0.688 1.00 0.00 C ATOM 336 CG2 ILE A 20 2.283 2.329 0.815 1.00 0.00 C ATOM 337 CD1 ILE A 20 -0.540 1.898 -0.720 1.00 0.00 C ATOM 0 H ILE A 20 -1.022 0.179 1.724 1.00 0.00 H new ATOM 0 HA ILE A 20 1.333 -0.017 0.216 1.00 0.00 H new ATOM 0 HB ILE A 20 0.865 1.920 2.437 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.105 2.262 1.314 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.036 3.476 0.639 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.249 3.415 0.907 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.132 1.944 1.379 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.391 2.057 -0.235 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.401 2.437 -1.115 1.00 0.00 H new ATOM 0 HD12 ILE A 20 0.320 2.065 -1.368 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.765 0.832 -0.682 1.00 0.00 H new ATOM 349 N LYS A 21 1.630 -0.570 3.495 1.00 0.00 N ATOM 350 CA LYS A 21 2.480 -1.142 4.536 1.00 0.00 C ATOM 351 C LYS A 21 2.726 -2.622 4.261 1.00 0.00 C ATOM 352 O LYS A 21 3.757 -3.158 4.646 1.00 0.00 O ATOM 353 CB LYS A 21 1.810 -1.050 5.912 1.00 0.00 C ATOM 354 CG LYS A 21 1.245 0.335 6.230 1.00 0.00 C ATOM 355 CD LYS A 21 0.966 0.479 7.728 1.00 0.00 C ATOM 356 CE LYS A 21 -0.234 -0.364 8.185 1.00 0.00 C ATOM 357 NZ LYS A 21 -0.277 -0.496 9.657 1.00 0.00 N ATOM 0 H LYS A 21 0.704 -0.299 3.825 1.00 0.00 H new ATOM 0 HA LYS A 21 3.413 -0.578 4.531 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.004 -1.782 5.963 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.536 -1.321 6.679 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.951 1.102 5.912 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.325 0.495 5.667 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.851 0.180 8.290 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.779 1.527 7.961 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.158 0.096 7.833 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.178 -1.354 7.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.099 -1.071 9.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.594 -0.957 9.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.356 0.447 10.088 1.00 0.00 H new ATOM 371 N GLU A 22 1.787 -3.308 3.612 1.00 0.00 N ATOM 372 CA GLU A 22 1.931 -4.726 3.328 1.00 0.00 C ATOM 373 C GLU A 22 2.989 -4.916 2.250 1.00 0.00 C ATOM 374 O GLU A 22 3.956 -5.644 2.480 1.00 0.00 O ATOM 375 CB GLU A 22 0.580 -5.351 2.934 1.00 0.00 C ATOM 376 CG GLU A 22 -0.386 -5.343 4.126 1.00 0.00 C ATOM 377 CD GLU A 22 -1.783 -5.911 3.826 1.00 0.00 C ATOM 378 OE1 GLU A 22 -2.800 -5.243 4.140 1.00 0.00 O ATOM 379 OE2 GLU A 22 -1.848 -7.061 3.326 1.00 0.00 O ATOM 0 H GLU A 22 0.916 -2.898 3.274 1.00 0.00 H new ATOM 0 HA GLU A 22 2.260 -5.247 4.227 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.145 -4.796 2.103 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.733 -6.374 2.590 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.058 -5.917 4.939 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.494 -4.318 4.481 1.00 0.00 H new ATOM 386 N ARG A 23 2.895 -4.185 1.139 1.00 0.00 N ATOM 387 CA ARG A 23 3.855 -4.306 0.043 1.00 0.00 C ATOM 388 C ARG A 23 5.256 -3.880 0.437 1.00 0.00 C ATOM 389 O ARG A 23 6.206 -4.471 -0.066 1.00 0.00 O ATOM 390 CB ARG A 23 3.365 -3.596 -1.229 1.00 0.00 C ATOM 391 CG ARG A 23 3.053 -2.097 -1.126 1.00 0.00 C ATOM 392 CD ARG A 23 4.216 -1.117 -1.359 1.00 0.00 C ATOM 393 NE ARG A 23 5.028 -1.396 -2.566 1.00 0.00 N ATOM 394 CZ ARG A 23 4.663 -1.370 -3.858 1.00 0.00 C ATOM 395 NH1 ARG A 23 3.392 -1.227 -4.213 1.00 0.00 N ATOM 396 NH2 ARG A 23 5.590 -1.466 -4.805 1.00 0.00 N ATOM 0 H ARG A 23 2.159 -3.499 0.975 1.00 0.00 H new ATOM 0 HA ARG A 23 3.921 -5.369 -0.191 1.00 0.00 H new ATOM 0 HB2 ARG A 23 4.122 -3.730 -2.002 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.464 -4.105 -1.573 1.00 0.00 H new ATOM 0 HG2 ARG A 23 2.268 -1.866 -1.845 1.00 0.00 H new ATOM 0 HG3 ARG A 23 2.643 -1.905 -0.134 1.00 0.00 H new ATOM 0 HD2 ARG A 23 3.813 -0.107 -1.434 1.00 0.00 H new ATOM 0 HD3 ARG A 23 4.869 -1.135 -0.486 1.00 0.00 H new ATOM 0 HE ARG A 23 6.002 -1.643 -2.391 1.00 0.00 H new ATOM 0 HH11 ARG A 23 2.670 -1.134 -3.498 1.00 0.00 H new ATOM 0 HH12 ARG A 23 3.137 -1.210 -5.200 1.00 0.00 H new ATOM 0 HH21 ARG A 23 6.573 -1.559 -4.549 1.00 0.00 H new ATOM 0 HH22 ARG A 23 5.319 -1.447 -5.788 1.00 0.00 H new ATOM 410 N ILE A 24 5.417 -2.878 1.298 1.00 0.00 N ATOM 411 CA ILE A 24 6.738 -2.432 1.725 1.00 0.00 C ATOM 412 C ILE A 24 7.315 -3.390 2.774 1.00 0.00 C ATOM 413 O ILE A 24 8.478 -3.785 2.669 1.00 0.00 O ATOM 414 CB ILE A 24 6.666 -0.975 2.245 1.00 0.00 C ATOM 415 CG1 ILE A 24 8.057 -0.399 2.570 1.00 0.00 C ATOM 416 CG2 ILE A 24 5.759 -0.850 3.474 1.00 0.00 C ATOM 417 CD1 ILE A 24 7.977 0.955 3.287 1.00 0.00 C ATOM 0 H ILE A 24 4.644 -2.358 1.714 1.00 0.00 H new ATOM 0 HA ILE A 24 7.415 -2.444 0.871 1.00 0.00 H new ATOM 0 HB ILE A 24 6.236 -0.392 1.431 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.603 -1.106 3.195 1.00 0.00 H new ATOM 0 HG13 ILE A 24 8.625 -0.285 1.647 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.737 0.188 3.806 1.00 0.00 H new ATOM 0 HG22 ILE A 24 4.750 -1.170 3.215 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.144 -1.479 4.276 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.984 1.317 3.493 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.456 1.672 2.653 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.434 0.839 4.225 1.00 0.00 H new ATOM 429 N GLN A 25 6.513 -3.807 3.760 1.00 0.00 N ATOM 430 CA GLN A 25 7.001 -4.666 4.828 1.00 0.00 C ATOM 431 C GLN A 25 7.264 -6.097 4.377 1.00 0.00 C ATOM 432 O GLN A 25 8.341 -6.625 4.663 1.00 0.00 O ATOM 433 CB GLN A 25 5.965 -4.664 5.965 1.00 0.00 C ATOM 434 CG GLN A 25 6.477 -5.293 7.262 1.00 0.00 C ATOM 435 CD GLN A 25 5.319 -5.631 8.193 1.00 0.00 C ATOM 436 OE1 GLN A 25 4.716 -4.740 8.783 1.00 0.00 O ATOM 437 NE2 GLN A 25 4.969 -6.901 8.315 1.00 0.00 N ATOM 0 H GLN A 25 5.526 -3.560 3.835 1.00 0.00 H new ATOM 0 HA GLN A 25 7.959 -4.268 5.161 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.660 -3.637 6.165 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.076 -5.202 5.636 1.00 0.00 H new ATOM 0 HG2 GLN A 25 7.043 -6.197 7.035 1.00 0.00 H new ATOM 0 HG3 GLN A 25 7.161 -4.606 7.760 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.487 -7.623 7.814 1.00 0.00 H new ATOM 0 HE22 GLN A 25 4.182 -7.158 8.910 1.00 0.00 H new ATOM 446 N ASN A 26 6.317 -6.712 3.667 1.00 0.00 N ATOM 447 CA ASN A 26 6.460 -8.089 3.214 1.00 0.00 C ATOM 448 C ASN A 26 7.389 -8.150 2.017 1.00 0.00 C ATOM 449 O ASN A 26 8.366 -8.886 1.994 1.00 0.00 O ATOM 450 CB ASN A 26 5.098 -8.668 2.768 1.00 0.00 C ATOM 451 CG ASN A 26 4.063 -8.846 3.867 1.00 0.00 C ATOM 452 OD1 ASN A 26 3.724 -9.963 4.239 1.00 0.00 O ATOM 453 ND2 ASN A 26 3.469 -7.767 4.338 1.00 0.00 N ATOM 0 H ASN A 26 5.439 -6.271 3.394 1.00 0.00 H new ATOM 0 HA ASN A 26 6.859 -8.666 4.048 1.00 0.00 H new ATOM 0 HB2 ASN A 26 4.679 -8.014 2.003 1.00 0.00 H new ATOM 0 HB3 ASN A 26 5.272 -9.636 2.299 1.00 0.00 H new ATOM 0 HD21 ASN A 26 2.717 -7.856 5.021 1.00 0.00 H new ATOM 0 HD22 ASN A 26 3.762 -6.843 4.019 1.00 0.00 H new ATOM 460 N SER A 27 7.083 -7.328 1.007 1.00 0.00 N ATOM 461 CA SER A 27 7.753 -7.180 -0.281 1.00 0.00 C ATOM 462 C SER A 27 7.557 -8.375 -1.209 1.00 0.00 C ATOM 463 O SER A 27 7.380 -8.252 -2.418 1.00 0.00 O ATOM 464 CB SER A 27 9.184 -6.665 -0.089 1.00 0.00 C ATOM 465 OG SER A 27 9.654 -5.965 -1.224 1.00 0.00 O ATOM 0 H SER A 27 6.287 -6.694 1.082 1.00 0.00 H new ATOM 0 HA SER A 27 7.258 -6.395 -0.853 1.00 0.00 H new ATOM 0 HB2 SER A 27 9.219 -6.009 0.781 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.847 -7.505 0.118 1.00 0.00 H new ATOM 0 HG SER A 27 10.568 -5.652 -1.060 1.00 0.00 H new ATOM 834 N ILE A3289 5.451 6.955 0.407 1.00 0.00 N ATOM 835 CA ILE A3289 6.563 7.314 -0.447 1.00 0.00 C ATOM 836 C ILE A3289 5.997 7.564 -1.841 1.00 0.00 C ATOM 837 O ILE A3289 5.731 6.627 -2.593 1.00 0.00 O ATOM 838 CB ILE A3289 7.665 6.233 -0.416 1.00 0.00 C ATOM 839 CG1 ILE A3289 8.103 5.831 1.014 1.00 0.00 C ATOM 840 CG2 ILE A3289 8.870 6.806 -1.174 1.00 0.00 C ATOM 841 CD1 ILE A3289 8.816 4.472 1.056 1.00 0.00 C ATOM 0 HA ILE A3289 7.055 8.221 -0.096 1.00 0.00 H new ATOM 0 HB ILE A3289 7.270 5.325 -0.872 1.00 0.00 H new ATOM 0 HG12 ILE A3289 8.767 6.597 1.415 1.00 0.00 H new ATOM 0 HG13 ILE A3289 7.227 5.797 1.662 1.00 0.00 H new ATOM 0 HG21 ILE A3289 9.678 6.075 -1.179 1.00 0.00 H new ATOM 0 HG22 ILE A3289 8.580 7.033 -2.200 1.00 0.00 H new ATOM 0 HG23 ILE A3289 9.209 7.718 -0.682 1.00 0.00 H new ATOM 0 HD11 ILE A3289 9.100 4.242 2.083 1.00 0.00 H new ATOM 0 HD12 ILE A3289 8.146 3.698 0.683 1.00 0.00 H new ATOM 0 HD13 ILE A3289 9.709 4.510 0.432 1.00 0.00 H new ATOM 853 N GLU A3290 5.771 8.827 -2.181 1.00 0.00 N ATOM 854 CA GLU A3290 5.237 9.198 -3.487 1.00 0.00 C ATOM 855 C GLU A3290 6.289 8.977 -4.595 1.00 0.00 C ATOM 856 O GLU A3290 5.958 8.966 -5.775 1.00 0.00 O ATOM 857 CB GLU A3290 4.719 10.646 -3.398 1.00 0.00 C ATOM 858 CG GLU A3290 3.741 10.986 -4.533 1.00 0.00 C ATOM 859 CD GLU A3290 2.976 12.299 -4.298 1.00 0.00 C ATOM 860 OE1 GLU A3290 2.420 12.513 -3.196 1.00 0.00 O ATOM 861 OE2 GLU A3290 2.906 13.144 -5.222 1.00 0.00 O ATOM 0 H GLU A3290 5.951 9.619 -1.564 1.00 0.00 H new ATOM 0 HA GLU A3290 4.399 8.559 -3.764 1.00 0.00 H new ATOM 0 HB2 GLU A3290 4.224 10.794 -2.438 1.00 0.00 H new ATOM 0 HB3 GLU A3290 5.564 11.334 -3.431 1.00 0.00 H new ATOM 0 HG2 GLU A3290 4.292 11.057 -5.471 1.00 0.00 H new ATOM 0 HG3 GLU A3290 3.026 10.171 -4.645 1.00 0.00 H new ATOM 868 N THR A3291 7.538 8.685 -4.226 1.00 0.00 N ATOM 869 CA THR A3291 8.676 8.466 -5.114 1.00 0.00 C ATOM 870 C THR A3291 9.309 7.079 -4.906 1.00 0.00 C ATOM 871 O THR A3291 10.484 6.941 -4.567 1.00 0.00 O ATOM 872 CB THR A3291 9.604 9.682 -4.948 1.00 0.00 C ATOM 873 OG1 THR A3291 10.642 9.754 -5.907 1.00 0.00 O ATOM 874 CG2 THR A3291 10.192 9.821 -3.540 1.00 0.00 C ATOM 0 H THR A3291 7.794 8.590 -3.243 1.00 0.00 H new ATOM 0 HA THR A3291 8.386 8.418 -6.164 1.00 0.00 H new ATOM 0 HB THR A3291 8.936 10.525 -5.121 1.00 0.00 H new ATOM 0 HG1 THR A3291 11.188 10.551 -5.739 1.00 0.00 H new ATOM 0 HG21 THR A3291 10.835 10.700 -3.499 1.00 0.00 H new ATOM 0 HG22 THR A3291 9.383 9.929 -2.817 1.00 0.00 H new ATOM 0 HG23 THR A3291 10.776 8.933 -3.300 1.00 0.00 H new ATOM 882 N PHE A3292 8.503 6.022 -5.008 1.00 0.00 N ATOM 883 CA PHE A3292 8.964 4.645 -4.863 1.00 0.00 C ATOM 884 C PHE A3292 7.960 3.657 -5.435 1.00 0.00 C ATOM 885 O PHE A3292 8.336 2.760 -6.188 1.00 0.00 O ATOM 886 CB PHE A3292 9.198 4.294 -3.385 1.00 0.00 C ATOM 887 CG PHE A3292 9.646 2.865 -3.099 1.00 0.00 C ATOM 888 CD1 PHE A3292 10.476 2.160 -3.993 1.00 0.00 C ATOM 889 CD2 PHE A3292 9.238 2.234 -1.910 1.00 0.00 C ATOM 890 CE1 PHE A3292 10.869 0.844 -3.710 1.00 0.00 C ATOM 891 CE2 PHE A3292 9.617 0.908 -1.631 1.00 0.00 C ATOM 892 CZ PHE A3292 10.428 0.208 -2.538 1.00 0.00 C ATOM 0 H PHE A3292 7.503 6.100 -5.195 1.00 0.00 H new ATOM 0 HA PHE A3292 9.901 4.571 -5.415 1.00 0.00 H new ATOM 0 HB2 PHE A3292 9.949 4.976 -2.985 1.00 0.00 H new ATOM 0 HB3 PHE A3292 8.274 4.480 -2.837 1.00 0.00 H new ATOM 0 HD1 PHE A3292 10.812 2.636 -4.902 1.00 0.00 H new ATOM 0 HD2 PHE A3292 8.626 2.774 -1.202 1.00 0.00 H new ATOM 0 HE1 PHE A3292 11.514 0.317 -4.397 1.00 0.00 H new ATOM 0 HE2 PHE A3292 9.285 0.430 -0.721 1.00 0.00 H new ATOM 0 HZ PHE A3292 10.711 -0.814 -2.336 1.00 0.00 H new ATOM 902 N PHE A3293 6.688 3.818 -5.081 1.00 0.00 N ATOM 903 CA PHE A3293 5.628 2.929 -5.523 1.00 0.00 C ATOM 904 C PHE A3293 4.383 3.670 -5.998 1.00 0.00 C ATOM 905 O PHE A3293 3.347 3.038 -6.141 1.00 0.00 O ATOM 906 CB PHE A3293 5.341 1.919 -4.391 1.00 0.00 C ATOM 907 CG PHE A3293 5.295 2.466 -2.972 1.00 0.00 C ATOM 908 CD1 PHE A3293 6.025 1.821 -1.956 1.00 0.00 C ATOM 909 CD2 PHE A3293 4.569 3.630 -2.660 1.00 0.00 C ATOM 910 CE1 PHE A3293 6.034 2.337 -0.649 1.00 0.00 C ATOM 911 CE2 PHE A3293 4.585 4.147 -1.356 1.00 0.00 C ATOM 912 CZ PHE A3293 5.316 3.504 -0.345 1.00 0.00 C ATOM 0 H PHE A3293 6.366 4.574 -4.476 1.00 0.00 H new ATOM 0 HA PHE A3293 5.961 2.387 -6.409 1.00 0.00 H new ATOM 0 HB2 PHE A3293 4.385 1.439 -4.600 1.00 0.00 H new ATOM 0 HB3 PHE A3293 6.104 1.141 -4.430 1.00 0.00 H new ATOM 0 HD1 PHE A3293 6.582 0.924 -2.182 1.00 0.00 H new ATOM 0 HD2 PHE A3293 3.996 4.128 -3.428 1.00 0.00 H new ATOM 0 HE1 PHE A3293 6.595 1.834 0.124 1.00 0.00 H new ATOM 0 HE2 PHE A3293 4.031 5.046 -1.129 1.00 0.00 H new ATOM 0 HZ PHE A3293 5.326 3.904 0.658 1.00 0.00 H new ATOM 922 N ALA A3294 4.424 4.981 -6.242 1.00 0.00 N ATOM 923 CA ALA A3294 3.247 5.727 -6.689 1.00 0.00 C ATOM 924 C ALA A3294 2.575 5.105 -7.917 1.00 0.00 C ATOM 925 O ALA A3294 1.357 5.204 -8.060 1.00 0.00 O ATOM 926 CB ALA A3294 3.609 7.190 -6.931 1.00 0.00 C ATOM 0 H ALA A3294 5.264 5.550 -6.137 1.00 0.00 H new ATOM 0 HA ALA A3294 2.510 5.675 -5.888 1.00 0.00 H new ATOM 0 HB1 ALA A3294 2.724 7.734 -7.263 1.00 0.00 H new ATOM 0 HB2 ALA A3294 3.980 7.631 -6.006 1.00 0.00 H new ATOM 0 HB3 ALA A3294 4.382 7.252 -7.697 1.00 0.00 H new ATOM 932 N GLN A3295 3.364 4.460 -8.769 1.00 0.00 N ATOM 933 CA GLN A3295 2.899 3.793 -9.976 1.00 0.00 C ATOM 934 C GLN A3295 2.127 2.518 -9.619 1.00 0.00 C ATOM 935 O GLN A3295 1.134 2.184 -10.251 1.00 0.00 O ATOM 936 CB GLN A3295 4.117 3.456 -10.851 1.00 0.00 C ATOM 937 CG GLN A3295 4.966 4.677 -11.241 1.00 0.00 C ATOM 938 CD GLN A3295 4.108 5.795 -11.833 1.00 0.00 C ATOM 939 OE1 GLN A3295 3.414 5.587 -12.825 1.00 0.00 O ATOM 940 NE2 GLN A3295 4.131 6.972 -11.239 1.00 0.00 N ATOM 0 H GLN A3295 4.372 4.386 -8.634 1.00 0.00 H new ATOM 0 HA GLN A3295 2.224 4.451 -10.523 1.00 0.00 H new ATOM 0 HB2 GLN A3295 4.747 2.744 -10.319 1.00 0.00 H new ATOM 0 HB3 GLN A3295 3.773 2.961 -11.759 1.00 0.00 H new ATOM 0 HG2 GLN A3295 5.494 5.049 -10.363 1.00 0.00 H new ATOM 0 HG3 GLN A3295 5.724 4.377 -11.965 1.00 0.00 H new ATOM 0 HE21 GLN A3295 4.717 7.117 -10.417 1.00 0.00 H new ATOM 0 HE22 GLN A3295 3.563 7.738 -11.602 1.00 0.00 H new ATOM 949 N ASP A3296 2.595 1.774 -8.616 1.00 0.00 N ATOM 950 CA ASP A3296 1.945 0.539 -8.169 1.00 0.00 C ATOM 951 C ASP A3296 0.745 0.839 -7.282 1.00 0.00 C ATOM 952 O ASP A3296 -0.183 0.043 -7.193 1.00 0.00 O ATOM 953 CB ASP A3296 2.903 -0.356 -7.371 1.00 0.00 C ATOM 954 CG ASP A3296 4.067 -0.948 -8.164 1.00 0.00 C ATOM 955 OD1 ASP A3296 3.938 -1.168 -9.392 1.00 0.00 O ATOM 956 OD2 ASP A3296 5.098 -1.207 -7.495 1.00 0.00 O ATOM 0 H ASP A3296 3.436 2.010 -8.089 1.00 0.00 H new ATOM 0 HA ASP A3296 1.628 0.021 -9.074 1.00 0.00 H new ATOM 0 HB2 ASP A3296 3.309 0.225 -6.543 1.00 0.00 H new ATOM 0 HB3 ASP A3296 2.330 -1.174 -6.936 1.00 0.00 H new ATOM 961 N ILE A3297 0.754 1.979 -6.610 1.00 0.00 N ATOM 962 CA ILE A3297 -0.287 2.428 -5.700 1.00 0.00 C ATOM 963 C ILE A3297 -1.570 2.632 -6.478 1.00 0.00 C ATOM 964 O ILE A3297 -2.637 2.186 -6.058 1.00 0.00 O ATOM 965 CB ILE A3297 0.210 3.709 -4.979 1.00 0.00 C ATOM 966 CG1 ILE A3297 0.900 3.438 -3.622 1.00 0.00 C ATOM 967 CG2 ILE A3297 -0.899 4.756 -4.761 1.00 0.00 C ATOM 968 CD1 ILE A3297 1.647 2.097 -3.488 1.00 0.00 C ATOM 0 H ILE A3297 1.522 2.646 -6.688 1.00 0.00 H new ATOM 0 HA ILE A3297 -0.502 1.686 -4.931 1.00 0.00 H new ATOM 0 HB ILE A3297 0.951 4.110 -5.671 1.00 0.00 H new ATOM 0 HG12 ILE A3297 1.609 4.244 -3.432 1.00 0.00 H new ATOM 0 HG13 ILE A3297 0.144 3.487 -2.839 1.00 0.00 H new ATOM 0 HG21 ILE A3297 -0.483 5.626 -4.252 1.00 0.00 H new ATOM 0 HG22 ILE A3297 -1.307 5.060 -5.725 1.00 0.00 H new ATOM 0 HG23 ILE A3297 -1.693 4.324 -4.151 1.00 0.00 H new ATOM 0 HD11 ILE A3297 2.088 2.024 -2.494 1.00 0.00 H new ATOM 0 HD12 ILE A3297 0.947 1.274 -3.636 1.00 0.00 H new ATOM 0 HD13 ILE A3297 2.435 2.043 -4.239 1.00 0.00 H new ATOM 980 N GLU A3298 -1.470 3.302 -7.621 1.00 0.00 N ATOM 981 CA GLU A3298 -2.635 3.566 -8.446 1.00 0.00 C ATOM 982 C GLU A3298 -3.160 2.265 -9.065 1.00 0.00 C ATOM 983 O GLU A3298 -4.358 2.120 -9.302 1.00 0.00 O ATOM 984 CB GLU A3298 -2.330 4.665 -9.466 1.00 0.00 C ATOM 985 CG GLU A3298 -1.171 4.361 -10.424 1.00 0.00 C ATOM 986 CD GLU A3298 -1.415 5.013 -11.784 1.00 0.00 C ATOM 987 OE1 GLU A3298 -0.573 5.831 -12.214 1.00 0.00 O ATOM 988 OE2 GLU A3298 -2.478 4.737 -12.387 1.00 0.00 O ATOM 0 H GLU A3298 -0.595 3.670 -7.994 1.00 0.00 H new ATOM 0 HA GLU A3298 -3.447 3.950 -7.828 1.00 0.00 H new ATOM 0 HB2 GLU A3298 -3.228 4.852 -10.055 1.00 0.00 H new ATOM 0 HB3 GLU A3298 -2.104 5.586 -8.928 1.00 0.00 H new ATOM 0 HG2 GLU A3298 -0.236 4.728 -10.001 1.00 0.00 H new ATOM 0 HG3 GLU A3298 -1.065 3.283 -10.545 1.00 0.00 H new ATOM 995 N SER A3299 -2.254 1.316 -9.287 1.00 0.00 N ATOM 996 CA SER A3299 -2.504 0.005 -9.863 1.00 0.00 C ATOM 997 C SER A3299 -3.253 -0.895 -8.874 1.00 0.00 C ATOM 998 O SER A3299 -4.231 -1.545 -9.244 1.00 0.00 O ATOM 999 CB SER A3299 -1.149 -0.585 -10.267 1.00 0.00 C ATOM 1000 OG SER A3299 -1.253 -1.757 -11.032 1.00 0.00 O ATOM 0 H SER A3299 -1.270 1.453 -9.055 1.00 0.00 H new ATOM 0 HA SER A3299 -3.145 0.084 -10.741 1.00 0.00 H new ATOM 0 HB2 SER A3299 -0.592 0.161 -10.834 1.00 0.00 H new ATOM 0 HB3 SER A3299 -0.572 -0.798 -9.367 1.00 0.00 H new ATOM 0 HG SER A3299 -0.356 -2.081 -11.258 1.00 0.00 H new ATOM 1006 N VAL A3300 -2.814 -0.947 -7.615 1.00 0.00 N ATOM 1007 CA VAL A3300 -3.451 -1.770 -6.599 1.00 0.00 C ATOM 1008 C VAL A3300 -4.758 -1.099 -6.180 1.00 0.00 C ATOM 1009 O VAL A3300 -5.781 -1.760 -6.044 1.00 0.00 O ATOM 1010 CB VAL A3300 -2.462 -2.072 -5.453 1.00 0.00 C ATOM 1011 CG1 VAL A3300 -2.193 -0.868 -4.540 1.00 0.00 C ATOM 1012 CG2 VAL A3300 -2.937 -3.264 -4.617 1.00 0.00 C ATOM 0 H VAL A3300 -2.009 -0.420 -7.277 1.00 0.00 H new ATOM 0 HA VAL A3300 -3.722 -2.753 -6.985 1.00 0.00 H new ATOM 0 HB VAL A3300 -1.517 -2.318 -5.938 1.00 0.00 H new ATOM 0 HG11 VAL A3300 -1.490 -1.154 -3.758 1.00 0.00 H new ATOM 0 HG12 VAL A3300 -1.771 -0.053 -5.128 1.00 0.00 H new ATOM 0 HG13 VAL A3300 -3.128 -0.541 -4.085 1.00 0.00 H new ATOM 0 HG21 VAL A3300 -2.222 -3.455 -3.817 1.00 0.00 H new ATOM 0 HG22 VAL A3300 -3.913 -3.040 -4.186 1.00 0.00 H new ATOM 0 HG23 VAL A3300 -3.015 -4.146 -5.252 1.00 0.00 H new ATOM 1022 N GLN A3301 -4.787 0.229 -6.005 1.00 0.00 N ATOM 1023 CA GLN A3301 -6.023 0.904 -5.626 1.00 0.00 C ATOM 1024 C GLN A3301 -7.082 0.725 -6.714 1.00 0.00 C ATOM 1025 O GLN A3301 -8.269 0.736 -6.398 1.00 0.00 O ATOM 1026 CB GLN A3301 -5.801 2.337 -5.160 1.00 0.00 C ATOM 1027 CG GLN A3301 -5.536 3.358 -6.266 1.00 0.00 C ATOM 1028 CD GLN A3301 -6.692 4.345 -6.400 1.00 0.00 C ATOM 1029 OE1 GLN A3301 -6.659 5.458 -5.885 1.00 0.00 O ATOM 1030 NE2 GLN A3301 -7.784 3.905 -6.995 1.00 0.00 N ATOM 0 H GLN A3301 -3.981 0.843 -6.119 1.00 0.00 H new ATOM 0 HA GLN A3301 -6.425 0.421 -4.735 1.00 0.00 H new ATOM 0 HB2 GLN A3301 -6.678 2.657 -4.597 1.00 0.00 H new ATOM 0 HB3 GLN A3301 -4.958 2.349 -4.470 1.00 0.00 H new ATOM 0 HG2 GLN A3301 -4.616 3.900 -6.050 1.00 0.00 H new ATOM 0 HG3 GLN A3301 -5.386 2.840 -7.213 1.00 0.00 H new ATOM 0 HE21 GLN A3301 -7.795 2.977 -7.419 1.00 0.00 H new ATOM 0 HE22 GLN A3301 -8.617 4.493 -7.032 1.00 0.00 H new ATOM 1039 N LYS A3302 -6.676 0.595 -7.983 1.00 0.00 N ATOM 1040 CA LYS A3302 -7.580 0.368 -9.108 1.00 0.00 C ATOM 1041 C LYS A3302 -8.437 -0.875 -8.873 1.00 0.00 C ATOM 1042 O LYS A3302 -9.515 -1.001 -9.447 1.00 0.00 O ATOM 1043 CB LYS A3302 -6.808 0.249 -10.424 1.00 0.00 C ATOM 1044 CG LYS A3302 -6.813 1.540 -11.248 1.00 0.00 C ATOM 1045 CD LYS A3302 -5.748 1.490 -12.352 1.00 0.00 C ATOM 1046 CE LYS A3302 -5.957 0.269 -13.257 1.00 0.00 C ATOM 1047 NZ LYS A3302 -4.827 0.028 -14.166 1.00 0.00 N ATOM 0 H LYS A3302 -5.695 0.646 -8.257 1.00 0.00 H new ATOM 0 HA LYS A3302 -8.240 1.232 -9.183 1.00 0.00 H new ATOM 0 HB2 LYS A3302 -5.777 -0.032 -10.208 1.00 0.00 H new ATOM 0 HB3 LYS A3302 -7.240 -0.555 -11.019 1.00 0.00 H new ATOM 0 HG2 LYS A3302 -7.797 1.688 -11.693 1.00 0.00 H new ATOM 0 HG3 LYS A3302 -6.626 2.393 -10.596 1.00 0.00 H new ATOM 0 HD2 LYS A3302 -5.793 2.402 -12.948 1.00 0.00 H new ATOM 0 HD3 LYS A3302 -4.755 1.450 -11.904 1.00 0.00 H new ATOM 0 HE2 LYS A3302 -6.112 -0.614 -12.637 1.00 0.00 H new ATOM 0 HE3 LYS A3302 -6.865 0.410 -13.844 1.00 0.00 H new ATOM 0 HZ1 LYS A3302 -5.025 -0.808 -14.752 1.00 0.00 H new ATOM 0 HZ2 LYS A3302 -4.692 0.857 -14.780 1.00 0.00 H new ATOM 0 HZ3 LYS A3302 -3.963 -0.135 -13.610 1.00 0.00 H new ATOM 1061 N GLU A3303 -7.942 -1.841 -8.102 1.00 0.00 N ATOM 1062 CA GLU A3303 -8.718 -3.042 -7.812 1.00 0.00 C ATOM 1063 C GLU A3303 -9.811 -2.703 -6.788 1.00 0.00 C ATOM 1064 O GLU A3303 -10.937 -3.174 -6.921 1.00 0.00 O ATOM 1065 CB GLU A3303 -7.784 -4.216 -7.453 1.00 0.00 C ATOM 1066 CG GLU A3303 -7.500 -4.346 -5.952 1.00 0.00 C ATOM 1067 CD GLU A3303 -6.195 -5.064 -5.579 1.00 0.00 C ATOM 1068 OE1 GLU A3303 -5.225 -5.105 -6.370 1.00 0.00 O ATOM 1069 OE2 GLU A3303 -6.153 -5.557 -4.426 1.00 0.00 O ATOM 0 H GLU A3303 -7.018 -1.816 -7.672 1.00 0.00 H new ATOM 0 HA GLU A3303 -9.253 -3.397 -8.693 1.00 0.00 H new ATOM 0 HB2 GLU A3303 -8.229 -5.144 -7.810 1.00 0.00 H new ATOM 0 HB3 GLU A3303 -6.839 -4.091 -7.982 1.00 0.00 H new ATOM 0 HG2 GLU A3303 -7.480 -3.347 -5.517 1.00 0.00 H new ATOM 0 HG3 GLU A3303 -8.331 -4.878 -5.489 1.00 0.00 H new ATOM 1076 N LEU A3304 -9.514 -1.821 -5.828 1.00 0.00 N ATOM 1077 CA LEU A3304 -10.390 -1.373 -4.752 1.00 0.00 C ATOM 1078 C LEU A3304 -11.438 -0.323 -5.120 1.00 0.00 C ATOM 1079 O LEU A3304 -12.522 -0.341 -4.549 1.00 0.00 O ATOM 1080 CB LEU A3304 -9.512 -0.740 -3.663 1.00 0.00 C ATOM 1081 CG LEU A3304 -8.452 -1.673 -3.059 1.00 0.00 C ATOM 1082 CD1 LEU A3304 -7.646 -0.899 -2.025 1.00 0.00 C ATOM 1083 CD2 LEU A3304 -9.063 -2.930 -2.449 1.00 0.00 C ATOM 0 H LEU A3304 -8.597 -1.376 -5.783 1.00 0.00 H new ATOM 0 HA LEU A3304 -10.938 -2.265 -4.449 1.00 0.00 H new ATOM 0 HB2 LEU A3304 -9.010 0.131 -4.083 1.00 0.00 H new ATOM 0 HB3 LEU A3304 -10.157 -0.380 -2.861 1.00 0.00 H new ATOM 0 HG LEU A3304 -7.796 -2.014 -3.860 1.00 0.00 H new ATOM 0 HD11 LEU A3304 -6.890 -1.552 -1.590 1.00 0.00 H new ATOM 0 HD12 LEU A3304 -7.159 -0.050 -2.504 1.00 0.00 H new ATOM 0 HD13 LEU A3304 -8.311 -0.540 -1.240 1.00 0.00 H new ATOM 0 HD21 LEU A3304 -8.272 -3.556 -2.036 1.00 0.00 H new ATOM 0 HD22 LEU A3304 -9.755 -2.650 -1.655 1.00 0.00 H new ATOM 0 HD23 LEU A3304 -9.599 -3.485 -3.219 1.00 0.00 H new ATOM 1095 N GLU A3305 -11.140 0.614 -6.014 1.00 0.00 N ATOM 1096 CA GLU A3305 -12.041 1.691 -6.433 1.00 0.00 C ATOM 1097 C GLU A3305 -13.374 1.194 -6.985 1.00 0.00 C ATOM 1098 O GLU A3305 -14.323 1.979 -7.046 1.00 0.00 O ATOM 1099 CB GLU A3305 -11.337 2.632 -7.423 1.00 0.00 C ATOM 1100 CG GLU A3305 -10.881 1.830 -8.643 1.00 0.00 C ATOM 1101 CD GLU A3305 -10.207 2.639 -9.759 1.00 0.00 C ATOM 1102 OE1 GLU A3305 -10.563 2.414 -10.941 1.00 0.00 O ATOM 1103 OE2 GLU A3305 -9.210 3.359 -9.508 1.00 0.00 O ATOM 0 H GLU A3305 -10.236 0.649 -6.485 1.00 0.00 H new ATOM 0 HA GLU A3305 -12.291 2.252 -5.532 1.00 0.00 H new ATOM 0 HB2 GLU A3305 -12.014 3.429 -7.730 1.00 0.00 H new ATOM 0 HB3 GLU A3305 -10.481 3.107 -6.945 1.00 0.00 H new ATOM 0 HG2 GLU A3305 -10.187 1.059 -8.309 1.00 0.00 H new ATOM 0 HG3 GLU A3305 -11.747 1.319 -9.063 1.00 0.00 H new ATOM 1110 N ASN A3306 -13.483 -0.086 -7.354 1.00 0.00 N ATOM 1111 CA ASN A3306 -14.726 -0.647 -7.871 1.00 0.00 C ATOM 1112 C ASN A3306 -15.383 -1.614 -6.879 1.00 0.00 C ATOM 1113 O ASN A3306 -16.488 -2.094 -7.146 1.00 0.00 O ATOM 1114 CB ASN A3306 -14.542 -1.268 -9.258 1.00 0.00 C ATOM 1115 CG ASN A3306 -13.750 -2.554 -9.235 1.00 0.00 C ATOM 1116 OD1 ASN A3306 -14.305 -3.641 -9.104 1.00 0.00 O ATOM 1117 ND2 ASN A3306 -12.450 -2.463 -9.416 1.00 0.00 N ATOM 0 H ASN A3306 -12.715 -0.755 -7.302 1.00 0.00 H new ATOM 0 HA ASN A3306 -15.420 0.185 -7.993 1.00 0.00 H new ATOM 0 HB2 ASN A3306 -15.522 -1.460 -9.696 1.00 0.00 H new ATOM 0 HB3 ASN A3306 -14.039 -0.551 -9.906 1.00 0.00 H new ATOM 0 HD21 ASN A3306 -11.879 -3.308 -9.450 1.00 0.00 H new ATOM 0 HD22 ASN A3306 -12.013 -1.548 -9.522 1.00 0.00 H new ATOM 1124 N LEU A3307 -14.741 -1.926 -5.748 1.00 0.00 N ATOM 1125 CA LEU A3307 -15.328 -2.833 -4.758 1.00 0.00 C ATOM 1126 C LEU A3307 -16.419 -2.111 -3.963 1.00 0.00 C ATOM 1127 O LEU A3307 -16.465 -0.880 -3.960 1.00 0.00 O ATOM 1128 CB LEU A3307 -14.238 -3.357 -3.801 1.00 0.00 C ATOM 1129 CG LEU A3307 -13.729 -4.805 -3.967 1.00 0.00 C ATOM 1130 CD1 LEU A3307 -14.614 -5.724 -4.804 1.00 0.00 C ATOM 1131 CD2 LEU A3307 -12.333 -4.838 -4.553 1.00 0.00 C ATOM 0 H LEU A3307 -13.820 -1.566 -5.497 1.00 0.00 H new ATOM 0 HA LEU A3307 -15.773 -3.679 -5.281 1.00 0.00 H new ATOM 0 HB2 LEU A3307 -13.377 -2.694 -3.888 1.00 0.00 H new ATOM 0 HB3 LEU A3307 -14.617 -3.256 -2.784 1.00 0.00 H new ATOM 0 HG LEU A3307 -13.744 -5.191 -2.948 1.00 0.00 H new ATOM 0 HD11 LEU A3307 -14.163 -6.715 -4.856 1.00 0.00 H new ATOM 0 HD12 LEU A3307 -15.600 -5.797 -4.345 1.00 0.00 H new ATOM 0 HD13 LEU A3307 -14.712 -5.317 -5.810 1.00 0.00 H new ATOM 0 HD21 LEU A3307 -12.006 -5.873 -4.656 1.00 0.00 H new ATOM 0 HD22 LEU A3307 -12.338 -4.360 -5.532 1.00 0.00 H new ATOM 0 HD23 LEU A3307 -11.649 -4.305 -3.893 1.00 0.00 H new ATOM 1143 N SER A3308 -17.331 -2.869 -3.352 1.00 0.00 N ATOM 1144 CA SER A3308 -18.430 -2.368 -2.527 1.00 0.00 C ATOM 1145 C SER A3308 -17.920 -2.115 -1.094 1.00 0.00 C ATOM 1146 O SER A3308 -16.805 -2.522 -0.766 1.00 0.00 O ATOM 1147 CB SER A3308 -19.565 -3.396 -2.532 1.00 0.00 C ATOM 1148 OG SER A3308 -19.939 -3.766 -3.853 1.00 0.00 O ATOM 0 H SER A3308 -17.324 -3.887 -3.421 1.00 0.00 H new ATOM 0 HA SER A3308 -18.807 -1.427 -2.928 1.00 0.00 H new ATOM 0 HB2 SER A3308 -19.254 -4.283 -1.981 1.00 0.00 H new ATOM 0 HB3 SER A3308 -20.430 -2.985 -2.012 1.00 0.00 H new ATOM 0 HG SER A3308 -20.664 -4.424 -3.815 1.00 0.00 H new ATOM 1154 N GLU A3309 -18.703 -1.447 -0.237 1.00 0.00 N ATOM 1155 CA GLU A3309 -18.311 -1.174 1.140 1.00 0.00 C ATOM 1156 C GLU A3309 -18.049 -2.501 1.810 1.00 0.00 C ATOM 1157 O GLU A3309 -16.953 -2.675 2.276 1.00 0.00 O ATOM 1158 CB GLU A3309 -19.374 -0.429 1.980 1.00 0.00 C ATOM 1159 CG GLU A3309 -19.249 1.099 1.948 1.00 0.00 C ATOM 1160 CD GLU A3309 -19.904 1.846 3.124 1.00 0.00 C ATOM 1161 OE1 GLU A3309 -19.984 1.291 4.246 1.00 0.00 O ATOM 1162 OE2 GLU A3309 -20.297 3.028 2.979 1.00 0.00 O ATOM 0 H GLU A3309 -19.623 -1.084 -0.484 1.00 0.00 H new ATOM 0 HA GLU A3309 -17.438 -0.522 1.093 1.00 0.00 H new ATOM 0 HB2 GLU A3309 -20.365 -0.708 1.621 1.00 0.00 H new ATOM 0 HB3 GLU A3309 -19.304 -0.766 3.014 1.00 0.00 H new ATOM 0 HG2 GLU A3309 -18.191 1.358 1.921 1.00 0.00 H new ATOM 0 HG3 GLU A3309 -19.690 1.462 1.020 1.00 0.00 H new ATOM 1169 N GLU A3310 -18.942 -3.476 1.739 1.00 0.00 N ATOM 1170 CA GLU A3310 -18.765 -4.778 2.390 1.00 0.00 C ATOM 1171 C GLU A3310 -17.414 -5.432 2.060 1.00 0.00 C ATOM 1172 O GLU A3310 -16.981 -6.361 2.723 1.00 0.00 O ATOM 1173 CB GLU A3310 -19.928 -5.682 1.960 1.00 0.00 C ATOM 1174 CG GLU A3310 -19.858 -5.942 0.451 1.00 0.00 C ATOM 1175 CD GLU A3310 -21.134 -6.532 -0.111 1.00 0.00 C ATOM 1176 OE1 GLU A3310 -21.967 -5.749 -0.627 1.00 0.00 O ATOM 1177 OE2 GLU A3310 -21.287 -7.773 -0.089 1.00 0.00 O ATOM 0 H GLU A3310 -19.819 -3.392 1.225 1.00 0.00 H new ATOM 0 HA GLU A3310 -18.766 -4.632 3.470 1.00 0.00 H new ATOM 0 HB2 GLU A3310 -19.886 -6.626 2.503 1.00 0.00 H new ATOM 0 HB3 GLU A3310 -20.878 -5.212 2.213 1.00 0.00 H new ATOM 0 HG2 GLU A3310 -19.641 -5.006 -0.063 1.00 0.00 H new ATOM 0 HG3 GLU A3310 -19.030 -6.619 0.243 1.00 0.00 H new ATOM 1184 N GLU A3311 -16.848 -5.138 0.894 1.00 0.00 N ATOM 1185 CA GLU A3311 -15.582 -5.689 0.495 1.00 0.00 C ATOM 1186 C GLU A3311 -14.454 -4.918 1.170 1.00 0.00 C ATOM 1187 O GLU A3311 -13.576 -5.501 1.784 1.00 0.00 O ATOM 1188 CB GLU A3311 -15.478 -5.588 -1.021 1.00 0.00 C ATOM 1189 CG GLU A3311 -16.730 -6.024 -1.794 1.00 0.00 C ATOM 1190 CD GLU A3311 -16.835 -7.514 -2.117 1.00 0.00 C ATOM 1191 OE1 GLU A3311 -16.092 -8.349 -1.552 1.00 0.00 O ATOM 1192 OE2 GLU A3311 -17.710 -7.845 -2.954 1.00 0.00 O ATOM 0 H GLU A3311 -17.264 -4.509 0.207 1.00 0.00 H new ATOM 0 HA GLU A3311 -15.503 -6.734 0.796 1.00 0.00 H new ATOM 0 HB2 GLU A3311 -15.249 -4.556 -1.285 1.00 0.00 H new ATOM 0 HB3 GLU A3311 -14.636 -6.196 -1.352 1.00 0.00 H new ATOM 0 HG2 GLU A3311 -17.608 -5.735 -1.216 1.00 0.00 H new ATOM 0 HG3 GLU A3311 -16.767 -5.466 -2.730 1.00 0.00 H new ATOM 1199 N LEU A3312 -14.479 -3.586 1.038 1.00 0.00 N ATOM 1200 CA LEU A3312 -13.474 -2.666 1.567 1.00 0.00 C ATOM 1201 C LEU A3312 -13.565 -2.418 3.065 1.00 0.00 C ATOM 1202 O LEU A3312 -12.587 -2.571 3.796 1.00 0.00 O ATOM 1203 CB LEU A3312 -13.583 -1.303 0.865 1.00 0.00 C ATOM 1204 CG LEU A3312 -13.707 -1.385 -0.665 1.00 0.00 C ATOM 1205 CD1 LEU A3312 -14.478 -0.182 -1.186 1.00 0.00 C ATOM 1206 CD2 LEU A3312 -12.332 -1.610 -1.290 1.00 0.00 C ATOM 0 H LEU A3312 -15.229 -3.105 0.541 1.00 0.00 H new ATOM 0 HA LEU A3312 -12.520 -3.156 1.373 1.00 0.00 H new ATOM 0 HB2 LEU A3312 -14.450 -0.773 1.260 1.00 0.00 H new ATOM 0 HB3 LEU A3312 -12.705 -0.708 1.115 1.00 0.00 H new ATOM 0 HG LEU A3312 -14.296 -2.251 -0.967 1.00 0.00 H new ATOM 0 HD11 LEU A3312 -14.562 -0.246 -2.271 1.00 0.00 H new ATOM 0 HD12 LEU A3312 -15.475 -0.170 -0.745 1.00 0.00 H new ATOM 0 HD13 LEU A3312 -13.950 0.733 -0.916 1.00 0.00 H new ATOM 0 HD21 LEU A3312 -12.430 -1.667 -2.374 1.00 0.00 H new ATOM 0 HD22 LEU A3312 -11.673 -0.782 -1.028 1.00 0.00 H new ATOM 0 HD23 LEU A3312 -11.910 -2.542 -0.915 1.00 0.00 H new ATOM 1218 N LEU A3313 -14.753 -2.016 3.505 1.00 0.00 N ATOM 1219 CA LEU A3313 -15.167 -1.711 4.856 1.00 0.00 C ATOM 1220 C LEU A3313 -14.840 -2.922 5.704 1.00 0.00 C ATOM 1221 O LEU A3313 -14.293 -2.762 6.791 1.00 0.00 O ATOM 1222 CB LEU A3313 -16.669 -1.328 4.876 1.00 0.00 C ATOM 1223 CG LEU A3313 -17.340 -1.077 6.244 1.00 0.00 C ATOM 1224 CD1 LEU A3313 -17.771 -2.367 6.953 1.00 0.00 C ATOM 1225 CD2 LEU A3313 -16.557 -0.201 7.224 1.00 0.00 C ATOM 0 H LEU A3313 -15.524 -1.885 2.850 1.00 0.00 H new ATOM 0 HA LEU A3313 -14.640 -0.849 5.264 1.00 0.00 H new ATOM 0 HB2 LEU A3313 -16.791 -0.427 4.275 1.00 0.00 H new ATOM 0 HB3 LEU A3313 -17.222 -2.122 4.375 1.00 0.00 H new ATOM 0 HG LEU A3313 -18.222 -0.505 5.956 1.00 0.00 H new ATOM 0 HD11 LEU A3313 -18.235 -2.120 7.908 1.00 0.00 H new ATOM 0 HD12 LEU A3313 -18.487 -2.903 6.330 1.00 0.00 H new ATOM 0 HD13 LEU A3313 -16.898 -2.996 7.126 1.00 0.00 H new ATOM 0 HD21 LEU A3313 -17.124 -0.094 8.149 1.00 0.00 H new ATOM 0 HD22 LEU A3313 -15.595 -0.666 7.440 1.00 0.00 H new ATOM 0 HD23 LEU A3313 -16.393 0.782 6.783 1.00 0.00 H new ATOM 1237 N ALA A3314 -15.091 -4.128 5.197 1.00 0.00 N ATOM 1238 CA ALA A3314 -14.813 -5.312 5.973 1.00 0.00 C ATOM 1239 C ALA A3314 -13.309 -5.524 6.176 1.00 0.00 C ATOM 1240 O ALA A3314 -12.917 -6.135 7.164 1.00 0.00 O ATOM 1241 CB ALA A3314 -15.474 -6.510 5.304 1.00 0.00 C ATOM 0 H ALA A3314 -15.479 -4.299 4.269 1.00 0.00 H new ATOM 0 HA ALA A3314 -15.232 -5.189 6.972 1.00 0.00 H new ATOM 0 HB1 ALA A3314 -15.269 -7.410 5.884 1.00 0.00 H new ATOM 0 HB2 ALA A3314 -16.551 -6.349 5.252 1.00 0.00 H new ATOM 0 HB3 ALA A3314 -15.076 -6.629 4.296 1.00 0.00 H new ATOM 1247 N MET A3315 -12.444 -5.030 5.279 1.00 0.00 N ATOM 1248 CA MET A3315 -10.995 -5.215 5.414 1.00 0.00 C ATOM 1249 C MET A3315 -10.449 -4.240 6.441 1.00 0.00 C ATOM 1250 O MET A3315 -9.811 -4.616 7.425 1.00 0.00 O ATOM 1251 CB MET A3315 -10.236 -4.957 4.098 1.00 0.00 C ATOM 1252 CG MET A3315 -10.881 -5.566 2.863 1.00 0.00 C ATOM 1253 SD MET A3315 -9.819 -6.709 1.941 1.00 0.00 S ATOM 1254 CE MET A3315 -10.812 -6.843 0.430 1.00 0.00 C ATOM 0 H MET A3315 -12.724 -4.500 4.454 1.00 0.00 H new ATOM 0 HA MET A3315 -10.845 -6.252 5.713 1.00 0.00 H new ATOM 0 HB2 MET A3315 -10.146 -3.881 3.951 1.00 0.00 H new ATOM 0 HB3 MET A3315 -9.224 -5.351 4.195 1.00 0.00 H new ATOM 0 HG2 MET A3315 -11.785 -6.095 3.165 1.00 0.00 H new ATOM 0 HG3 MET A3315 -11.190 -4.761 2.197 1.00 0.00 H new ATOM 0 HE1 MET A3315 -10.317 -7.514 -0.272 1.00 0.00 H new ATOM 0 HE2 MET A3315 -11.798 -7.238 0.676 1.00 0.00 H new ATOM 0 HE3 MET A3315 -10.919 -5.858 -0.024 1.00 0.00 H new ATOM 1264 N LEU A3316 -10.699 -2.949 6.217 1.00 0.00 N ATOM 1265 CA LEU A3316 -10.247 -1.884 7.101 1.00 0.00 C ATOM 1266 C LEU A3316 -10.815 -2.064 8.500 1.00 0.00 C ATOM 1267 O LEU A3316 -10.105 -1.794 9.470 1.00 0.00 O ATOM 1268 CB LEU A3316 -10.588 -0.505 6.520 1.00 0.00 C ATOM 1269 CG LEU A3316 -12.076 -0.289 6.169 1.00 0.00 C ATOM 1270 CD1 LEU A3316 -12.886 0.370 7.290 1.00 0.00 C ATOM 1271 CD2 LEU A3316 -12.215 0.624 4.953 1.00 0.00 C ATOM 0 H LEU A3316 -11.225 -2.615 5.410 1.00 0.00 H new ATOM 0 HA LEU A3316 -9.161 -1.942 7.180 1.00 0.00 H new ATOM 0 HB2 LEU A3316 -10.286 0.258 7.237 1.00 0.00 H new ATOM 0 HB3 LEU A3316 -9.993 -0.350 5.620 1.00 0.00 H new ATOM 0 HG LEU A3316 -12.464 -1.291 5.985 1.00 0.00 H new ATOM 0 HD11 LEU A3316 -13.921 0.489 6.970 1.00 0.00 H new ATOM 0 HD12 LEU A3316 -12.852 -0.257 8.181 1.00 0.00 H new ATOM 0 HD13 LEU A3316 -12.462 1.348 7.518 1.00 0.00 H new ATOM 0 HD21 LEU A3316 -13.271 0.764 4.722 1.00 0.00 H new ATOM 0 HD22 LEU A3316 -11.760 1.590 5.170 1.00 0.00 H new ATOM 0 HD23 LEU A3316 -11.713 0.170 4.098 1.00 0.00 H new ATOM 1283 N ASN A3317 -12.056 -2.541 8.615 1.00 0.00 N ATOM 1284 CA ASN A3317 -12.685 -2.747 9.920 1.00 0.00 C ATOM 1285 C ASN A3317 -12.276 -4.091 10.522 1.00 0.00 C ATOM 1286 O ASN A3317 -12.207 -4.218 11.742 1.00 0.00 O ATOM 1287 CB ASN A3317 -14.212 -2.700 9.800 1.00 0.00 C ATOM 1288 CG ASN A3317 -14.842 -2.270 11.108 1.00 0.00 C ATOM 1289 OD1 ASN A3317 -15.176 -3.066 11.974 1.00 0.00 O ATOM 1290 ND2 ASN A3317 -14.975 -0.966 11.277 1.00 0.00 N ATOM 0 H ASN A3317 -12.645 -2.792 7.820 1.00 0.00 H new ATOM 0 HA ASN A3317 -12.346 -1.944 10.574 1.00 0.00 H new ATOM 0 HB2 ASN A3317 -14.498 -2.007 9.009 1.00 0.00 H new ATOM 0 HB3 ASN A3317 -14.589 -3.682 9.515 1.00 0.00 H new ATOM 0 HD21 ASN A3317 -15.364 -0.602 12.146 1.00 0.00 H new ATOM 0 HD22 ASN A3317 -14.688 -0.324 10.538 1.00 0.00 H new ATOM 1297 N GLY A3318 -11.922 -5.041 9.654 1.00 0.00 N ATOM 1298 CA GLY A3318 -11.510 -6.394 9.995 1.00 0.00 C ATOM 1299 C GLY A3318 -12.715 -7.198 10.460 1.00 0.00 C ATOM 1300 O GLY A3318 -12.673 -7.753 11.556 1.00 0.00 O ATOM 0 H GLY A3318 -11.916 -4.875 8.648 1.00 0.00 H new ATOM 0 HA2 GLY A3318 -11.053 -6.874 9.129 1.00 0.00 H new ATOM 0 HA3 GLY A3318 -10.754 -6.367 10.780 1.00 0.00 H new