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= 0.158 K(o=0.22,f=-0.82) USER MOD Set 1.2: A 17 GLN : amide:sc= 0.0626 X(o=0.22,f=0.082) USER MOD Single : A 4 ASN : amide:sc= -0.141 X(o=-0.14,f=0) USER MOD Single : A 6 GLN : amide:sc= -0.649 X(o=-0.65,f=-0.66) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.0566) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 161:sc= 1.28 (180deg=0.828) 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= 0.894 K(o=0.89,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A3291 THR OG1 : rot -46:sc=0.000927 USER MOD Single : A3295 GLN : amide:sc=-0.00163 X(o=-0.0016,f=-0.16) USER MOD Single : A3299 SER OG : rot 180:sc= 0 USER MOD Single : A3301 GLN : amide:sc= -1.39! K(o=-1.4!,f=-0.062) USER MOD Single : A3302 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A3306 ASN : amide:sc= -0.108 K(o=-0.11,f=-0.66) 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 -25.036 10.026 -1.678 1.00 0.00 N ATOM 33 CA ILE A 3 -24.199 9.164 -2.504 1.00 0.00 C ATOM 34 C ILE A 3 -23.447 8.147 -1.638 1.00 0.00 C ATOM 35 O ILE A 3 -23.174 8.398 -0.462 1.00 0.00 O ATOM 36 CB ILE A 3 -23.265 10.023 -3.389 1.00 0.00 C ATOM 37 CG1 ILE A 3 -22.784 9.217 -4.611 1.00 0.00 C ATOM 38 CG2 ILE A 3 -22.065 10.588 -2.600 1.00 0.00 C ATOM 39 CD1 ILE A 3 -22.304 10.116 -5.750 1.00 0.00 C ATOM 0 HA ILE A 3 -24.826 8.582 -3.179 1.00 0.00 H new ATOM 0 HB ILE A 3 -23.847 10.876 -3.737 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -21.973 8.554 -4.309 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -23.597 8.585 -4.969 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -21.440 11.183 -3.265 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -22.428 11.215 -1.786 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -21.479 9.765 -2.191 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -21.976 9.499 -6.587 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -23.121 10.761 -6.073 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -21.472 10.730 -5.403 1.00 0.00 H new ATOM 51 N ASN A 4 -23.081 7.025 -2.251 1.00 0.00 N ATOM 52 CA ASN A 4 -22.345 5.919 -1.641 1.00 0.00 C ATOM 53 C ASN A 4 -21.214 5.491 -2.577 1.00 0.00 C ATOM 54 O ASN A 4 -20.107 5.245 -2.116 1.00 0.00 O ATOM 55 CB ASN A 4 -23.278 4.754 -1.282 1.00 0.00 C ATOM 56 CG ASN A 4 -24.145 4.308 -2.440 1.00 0.00 C ATOM 57 OD1 ASN A 4 -25.279 4.762 -2.579 1.00 0.00 O ATOM 58 ND2 ASN A 4 -23.609 3.536 -3.359 1.00 0.00 N ATOM 0 H ASN A 4 -23.299 6.853 -3.232 1.00 0.00 H new ATOM 0 HA ASN A 4 -21.906 6.253 -0.701 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -22.680 3.910 -0.938 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -23.917 5.051 -0.451 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -24.135 3.306 -4.202 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -22.667 3.167 -3.229 1.00 0.00 H new ATOM 65 N GLU A 5 -21.430 5.544 -3.895 1.00 0.00 N ATOM 66 CA GLU A 5 -20.433 5.187 -4.916 1.00 0.00 C ATOM 67 C GLU A 5 -19.194 6.063 -4.767 1.00 0.00 C ATOM 68 O GLU A 5 -18.066 5.625 -4.987 1.00 0.00 O ATOM 69 CB GLU A 5 -21.028 5.422 -6.307 1.00 0.00 C ATOM 70 CG GLU A 5 -22.013 4.313 -6.671 1.00 0.00 C ATOM 71 CD GLU A 5 -23.020 4.713 -7.757 1.00 0.00 C ATOM 72 OE1 GLU A 5 -22.897 5.804 -8.361 1.00 0.00 O ATOM 73 OE2 GLU A 5 -24.029 3.982 -7.915 1.00 0.00 O ATOM 0 H GLU A 5 -22.321 5.842 -4.293 1.00 0.00 H new ATOM 0 HA GLU A 5 -20.159 4.140 -4.790 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -21.534 6.387 -6.332 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -20.229 5.462 -7.047 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -21.455 3.440 -7.010 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -22.558 4.015 -5.775 1.00 0.00 H new ATOM 80 N GLN A 6 -19.416 7.334 -4.451 1.00 0.00 N ATOM 81 CA GLN A 6 -18.327 8.275 -4.241 1.00 0.00 C ATOM 82 C GLN A 6 -17.721 8.035 -2.859 1.00 0.00 C ATOM 83 O GLN A 6 -16.501 8.096 -2.740 1.00 0.00 O ATOM 84 CB GLN A 6 -18.748 9.722 -4.512 1.00 0.00 C ATOM 85 CG GLN A 6 -18.632 9.989 -6.026 1.00 0.00 C ATOM 86 CD GLN A 6 -19.164 11.349 -6.464 1.00 0.00 C ATOM 87 OE1 GLN A 6 -19.900 11.445 -7.441 1.00 0.00 O ATOM 88 NE2 GLN A 6 -18.828 12.419 -5.765 1.00 0.00 N ATOM 0 H GLN A 6 -20.346 7.736 -4.335 1.00 0.00 H new ATOM 0 HA GLN A 6 -17.539 8.098 -4.973 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -19.771 9.888 -4.175 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -18.113 10.412 -3.956 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -17.585 9.910 -6.318 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -19.173 9.210 -6.563 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -18.215 12.327 -4.955 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -19.181 13.337 -6.036 1.00 0.00 H new ATOM 97 N THR A 7 -18.525 7.698 -1.844 1.00 0.00 N ATOM 98 CA THR A 7 -18.056 7.434 -0.486 1.00 0.00 C ATOM 99 C THR A 7 -17.046 6.292 -0.430 1.00 0.00 C ATOM 100 O THR A 7 -16.133 6.375 0.386 1.00 0.00 O ATOM 101 CB THR A 7 -19.236 7.128 0.431 1.00 0.00 C ATOM 102 OG1 THR A 7 -20.137 8.215 0.373 1.00 0.00 O ATOM 103 CG2 THR A 7 -18.788 6.837 1.864 1.00 0.00 C ATOM 0 H THR A 7 -19.535 7.601 -1.949 1.00 0.00 H new ATOM 0 HA THR A 7 -17.548 8.336 -0.144 1.00 0.00 H new ATOM 0 HB THR A 7 -19.735 6.221 0.088 1.00 0.00 H new ATOM 0 HG1 THR A 7 -20.904 8.035 0.956 1.00 0.00 H new ATOM 0 HG21 THR A 7 -19.660 6.625 2.482 1.00 0.00 H new ATOM 0 HG22 THR A 7 -18.121 5.975 1.869 1.00 0.00 H new ATOM 0 HG23 THR A 7 -18.263 7.704 2.264 1.00 0.00 H new ATOM 111 N LEU A 8 -17.105 5.304 -1.334 1.00 0.00 N ATOM 112 CA LEU A 8 -16.164 4.187 -1.372 1.00 0.00 C ATOM 113 C LEU A 8 -14.755 4.781 -1.398 1.00 0.00 C ATOM 114 O LEU A 8 -13.850 4.123 -0.920 1.00 0.00 O ATOM 115 CB LEU A 8 -16.305 3.306 -2.624 1.00 0.00 C ATOM 116 CG LEU A 8 -17.718 2.975 -3.131 1.00 0.00 C ATOM 117 CD1 LEU A 8 -17.659 2.179 -4.441 1.00 0.00 C ATOM 118 CD2 LEU A 8 -18.499 2.165 -2.109 1.00 0.00 C ATOM 0 H LEU A 8 -17.816 5.262 -2.064 1.00 0.00 H new ATOM 0 HA LEU A 8 -16.364 3.561 -0.503 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -15.767 3.795 -3.436 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -15.794 2.364 -2.426 1.00 0.00 H new ATOM 0 HG LEU A 8 -18.223 3.926 -3.300 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -18.672 1.958 -4.778 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -17.144 2.767 -5.201 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -17.120 1.246 -4.276 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -19.493 1.948 -2.499 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -17.976 1.230 -1.909 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -18.589 2.735 -1.184 1.00 0.00 H new ATOM 130 N ASP A 9 -14.545 5.987 -1.946 1.00 0.00 N ATOM 131 CA ASP A 9 -13.256 6.672 -2.015 1.00 0.00 C ATOM 132 C ASP A 9 -12.602 6.731 -0.643 1.00 0.00 C ATOM 133 O ASP A 9 -11.448 6.322 -0.519 1.00 0.00 O ATOM 134 CB ASP A 9 -13.438 8.111 -2.498 1.00 0.00 C ATOM 135 CG ASP A 9 -12.121 8.888 -2.444 1.00 0.00 C ATOM 136 OD1 ASP A 9 -11.905 9.663 -1.483 1.00 0.00 O ATOM 137 OD2 ASP A 9 -11.305 8.725 -3.375 1.00 0.00 O ATOM 0 H ASP A 9 -15.300 6.528 -2.368 1.00 0.00 H new ATOM 0 HA ASP A 9 -12.630 6.111 -2.709 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -13.819 8.108 -3.519 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -14.184 8.612 -1.881 1.00 0.00 H new ATOM 142 N LYS A 10 -13.324 7.183 0.398 1.00 0.00 N ATOM 143 CA LYS A 10 -12.720 7.264 1.730 1.00 0.00 C ATOM 144 C LYS A 10 -12.343 5.884 2.255 1.00 0.00 C ATOM 145 O LYS A 10 -11.459 5.766 3.106 1.00 0.00 O ATOM 146 CB LYS A 10 -13.559 8.087 2.720 1.00 0.00 C ATOM 147 CG LYS A 10 -14.761 7.327 3.276 1.00 0.00 C ATOM 148 CD LYS A 10 -15.542 8.067 4.349 1.00 0.00 C ATOM 149 CE LYS A 10 -14.765 8.185 5.668 1.00 0.00 C ATOM 150 NZ LYS A 10 -14.125 9.501 5.872 1.00 0.00 N ATOM 0 H LYS A 10 -14.296 7.488 0.343 1.00 0.00 H new ATOM 0 HA LYS A 10 -11.789 7.821 1.626 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -12.924 8.403 3.548 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -13.909 8.992 2.223 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -15.436 7.090 2.453 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -14.415 6.379 3.687 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -15.792 9.065 3.988 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -16.483 7.548 4.531 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -15.445 7.991 6.497 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -13.998 7.411 5.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -13.376 9.415 6.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -13.711 9.828 4.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -14.837 10.187 6.195 1.00 0.00 H new ATOM 164 N LEU A 11 -13.072 4.856 1.831 1.00 0.00 N ATOM 165 CA LEU A 11 -12.855 3.479 2.210 1.00 0.00 C ATOM 166 C LEU A 11 -11.639 2.924 1.464 1.00 0.00 C ATOM 167 O LEU A 11 -10.693 2.459 2.089 1.00 0.00 O ATOM 168 CB LEU A 11 -14.127 2.633 1.958 1.00 0.00 C ATOM 169 CG LEU A 11 -15.351 2.838 2.874 1.00 0.00 C ATOM 170 CD1 LEU A 11 -15.010 2.906 4.361 1.00 0.00 C ATOM 171 CD2 LEU A 11 -16.207 4.047 2.513 1.00 0.00 C ATOM 0 H LEU A 11 -13.857 4.972 1.190 1.00 0.00 H new ATOM 0 HA LEU A 11 -12.647 3.427 3.279 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -14.448 2.817 0.933 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -13.842 1.583 2.019 1.00 0.00 H new ATOM 0 HG LEU A 11 -15.934 1.936 2.691 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -15.924 3.051 4.938 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -14.532 1.976 4.667 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -14.331 3.740 4.541 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -17.046 4.119 3.205 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -15.604 4.953 2.579 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -16.584 3.935 1.496 1.00 0.00 H new ATOM 183 N ARG A 12 -11.588 2.989 0.133 1.00 0.00 N ATOM 184 CA ARG A 12 -10.469 2.458 -0.657 1.00 0.00 C ATOM 185 C ARG A 12 -9.157 3.122 -0.299 1.00 0.00 C ATOM 186 O ARG A 12 -8.157 2.431 -0.122 1.00 0.00 O ATOM 187 CB ARG A 12 -10.765 2.426 -2.171 1.00 0.00 C ATOM 188 CG ARG A 12 -11.538 3.601 -2.783 1.00 0.00 C ATOM 189 CD ARG A 12 -10.819 4.273 -3.944 1.00 0.00 C ATOM 190 NE ARG A 12 -11.750 5.035 -4.796 1.00 0.00 N ATOM 191 CZ ARG A 12 -11.465 6.155 -5.470 1.00 0.00 C ATOM 192 NH1 ARG A 12 -10.229 6.626 -5.495 1.00 0.00 N ATOM 193 NH2 ARG A 12 -12.417 6.807 -6.121 1.00 0.00 N ATOM 0 H ARG A 12 -12.323 3.413 -0.433 1.00 0.00 H new ATOM 0 HA ARG A 12 -10.353 1.411 -0.379 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -9.813 2.345 -2.695 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -11.323 1.514 -2.382 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -12.509 3.245 -3.127 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -11.727 4.343 -2.007 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -10.050 4.942 -3.557 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -10.312 3.517 -4.544 1.00 0.00 H new ATOM 0 HE ARG A 12 -12.701 4.675 -4.879 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -9.486 6.135 -4.998 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -10.019 7.480 -6.011 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -13.375 6.456 -6.110 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -12.192 7.660 -6.633 1.00 0.00 H new ATOM 207 N GLN A 13 -9.154 4.436 -0.123 1.00 0.00 N ATOM 208 CA GLN A 13 -7.979 5.200 0.257 1.00 0.00 C ATOM 209 C GLN A 13 -7.483 4.756 1.649 1.00 0.00 C ATOM 210 O GLN A 13 -6.292 4.866 1.945 1.00 0.00 O ATOM 211 CB GLN A 13 -8.251 6.699 0.090 1.00 0.00 C ATOM 212 CG GLN A 13 -9.165 7.275 1.160 1.00 0.00 C ATOM 213 CD GLN A 13 -8.440 7.638 2.449 1.00 0.00 C ATOM 214 OE1 GLN A 13 -7.320 8.151 2.476 1.00 0.00 O ATOM 215 NE2 GLN A 13 -9.039 7.294 3.569 1.00 0.00 N ATOM 0 H GLN A 13 -9.988 5.011 -0.244 1.00 0.00 H new ATOM 0 HA GLN A 13 -7.143 4.994 -0.411 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.303 7.236 0.107 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.698 6.872 -0.889 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -9.656 8.165 0.766 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -9.949 6.551 1.385 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -9.966 6.870 3.542 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -8.576 7.452 4.464 1.00 0.00 H new ATOM 224 N ALA A 14 -8.377 4.304 2.540 1.00 0.00 N ATOM 225 CA ALA A 14 -8.028 3.831 3.872 1.00 0.00 C ATOM 226 C ALA A 14 -7.401 2.440 3.738 1.00 0.00 C ATOM 227 O ALA A 14 -6.364 2.153 4.334 1.00 0.00 O ATOM 228 CB ALA A 14 -9.286 3.775 4.747 1.00 0.00 C ATOM 0 H ALA A 14 -9.377 4.259 2.345 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.317 4.509 4.344 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -9.021 3.421 5.743 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -9.723 4.771 4.821 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.010 3.094 4.300 1.00 0.00 H new ATOM 234 N VAL A 15 -8.007 1.566 2.931 1.00 0.00 N ATOM 235 CA VAL A 15 -7.490 0.219 2.725 1.00 0.00 C ATOM 236 C VAL A 15 -6.115 0.298 2.053 1.00 0.00 C ATOM 237 O VAL A 15 -5.171 -0.344 2.513 1.00 0.00 O ATOM 238 CB VAL A 15 -8.489 -0.635 1.935 1.00 0.00 C ATOM 239 CG1 VAL A 15 -7.987 -2.065 1.682 1.00 0.00 C ATOM 240 CG2 VAL A 15 -9.817 -0.733 2.675 1.00 0.00 C ATOM 0 H VAL A 15 -8.859 1.772 2.410 1.00 0.00 H new ATOM 0 HA VAL A 15 -7.361 -0.277 3.687 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.611 -0.132 0.976 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -8.737 -2.620 1.119 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.059 -2.029 1.112 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.808 -2.562 2.636 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -10.511 -1.343 2.097 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.657 -1.191 3.651 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -10.234 0.265 2.807 1.00 0.00 H new ATOM 250 N LEU A 16 -5.954 1.111 1.000 1.00 0.00 N ATOM 251 CA LEU A 16 -4.671 1.229 0.314 1.00 0.00 C ATOM 252 C LEU A 16 -3.578 1.687 1.274 1.00 0.00 C ATOM 253 O LEU A 16 -2.443 1.249 1.114 1.00 0.00 O ATOM 254 CB LEU A 16 -4.748 2.044 -0.986 1.00 0.00 C ATOM 255 CG LEU A 16 -4.713 3.574 -0.888 1.00 0.00 C ATOM 256 CD1 LEU A 16 -3.282 4.133 -0.852 1.00 0.00 C ATOM 257 CD2 LEU A 16 -5.457 4.135 -2.105 1.00 0.00 C ATOM 0 H LEU A 16 -6.696 1.692 0.610 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.388 0.232 -0.023 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.920 1.733 -1.623 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.668 1.765 -1.500 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.187 3.874 0.047 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.318 5.220 -0.782 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.756 3.731 0.014 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.756 3.845 -1.762 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.450 5.224 -2.065 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.964 3.802 -3.018 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.487 3.778 -2.098 1.00 0.00 H new ATOM 269 N GLN A 17 -3.899 2.514 2.280 1.00 0.00 N ATOM 270 CA GLN A 17 -2.920 2.974 3.255 1.00 0.00 C ATOM 271 C GLN A 17 -2.335 1.778 4.007 1.00 0.00 C ATOM 272 O GLN A 17 -1.115 1.746 4.183 1.00 0.00 O ATOM 273 CB GLN A 17 -3.518 3.977 4.249 1.00 0.00 C ATOM 274 CG GLN A 17 -3.573 5.408 3.714 1.00 0.00 C ATOM 275 CD GLN A 17 -4.247 6.322 4.729 1.00 0.00 C ATOM 276 OE1 GLN A 17 -3.819 6.397 5.881 1.00 0.00 O ATOM 277 NE2 GLN A 17 -5.309 7.008 4.354 1.00 0.00 N ATOM 0 H GLN A 17 -4.840 2.876 2.433 1.00 0.00 H new ATOM 0 HA GLN A 17 -2.130 3.490 2.708 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.526 3.657 4.513 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -2.929 3.963 5.166 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -2.565 5.765 3.505 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -4.121 5.431 2.772 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -5.651 6.935 3.396 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -5.788 7.612 5.022 1.00 0.00 H new ATOM 286 N LYS A 18 -3.136 0.801 4.478 1.00 0.00 N ATOM 287 CA LYS A 18 -2.523 -0.327 5.174 1.00 0.00 C ATOM 288 C LYS A 18 -1.702 -1.156 4.187 1.00 0.00 C ATOM 289 O LYS A 18 -0.602 -1.571 4.528 1.00 0.00 O ATOM 290 CB LYS A 18 -3.535 -1.140 5.979 1.00 0.00 C ATOM 291 CG LYS A 18 -4.422 -2.075 5.144 1.00 0.00 C ATOM 292 CD LYS A 18 -5.918 -1.884 5.380 1.00 0.00 C ATOM 293 CE LYS A 18 -6.460 -3.020 6.220 1.00 0.00 C ATOM 294 NZ LYS A 18 -6.069 -2.981 7.639 1.00 0.00 N ATOM 0 H LYS A 18 -4.152 0.774 4.393 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.834 0.055 5.927 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.997 -1.736 6.716 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -4.175 -0.452 6.531 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.208 -1.915 4.087 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.158 -3.108 5.370 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -6.097 -0.933 5.882 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -6.443 -1.844 4.425 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -7.548 -3.012 6.157 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -6.123 -3.963 5.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -6.484 -3.795 8.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.033 -3.021 7.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -6.414 -2.100 8.070 1.00 0.00 H new ATOM 308 N LYS A 19 -2.170 -1.317 2.943 1.00 0.00 N ATOM 309 CA LYS A 19 -1.493 -2.087 1.908 1.00 0.00 C ATOM 310 C LYS A 19 -0.076 -1.577 1.682 1.00 0.00 C ATOM 311 O LYS A 19 0.797 -2.416 1.456 1.00 0.00 O ATOM 312 CB LYS A 19 -2.323 -2.094 0.618 1.00 0.00 C ATOM 313 CG LYS A 19 -3.426 -3.160 0.604 1.00 0.00 C ATOM 314 CD LYS A 19 -4.281 -3.037 -0.670 1.00 0.00 C ATOM 315 CE LYS A 19 -5.139 -4.289 -0.887 1.00 0.00 C ATOM 316 NZ LYS A 19 -4.541 -5.212 -1.873 1.00 0.00 N ATOM 0 H LYS A 19 -3.048 -0.905 2.628 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.402 -3.120 2.244 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.776 -1.112 0.482 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -1.659 -2.259 -0.231 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.980 -4.153 0.655 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.058 -3.049 1.485 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.925 -2.161 -0.595 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.632 -2.884 -1.533 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.267 -4.808 0.063 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.132 -3.993 -1.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.957 -6.158 -1.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.731 -4.864 -2.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.514 -5.265 -1.721 1.00 0.00 H new ATOM 330 N ILE A 20 0.196 -0.269 1.813 1.00 0.00 N ATOM 331 CA ILE A 20 1.553 0.247 1.620 1.00 0.00 C ATOM 332 C ILE A 20 2.463 -0.415 2.657 1.00 0.00 C ATOM 333 O ILE A 20 3.524 -0.937 2.323 1.00 0.00 O ATOM 334 CB ILE A 20 1.668 1.787 1.739 1.00 0.00 C ATOM 335 CG1 ILE A 20 0.510 2.601 1.138 1.00 0.00 C ATOM 336 CG2 ILE A 20 3.004 2.245 1.125 1.00 0.00 C ATOM 337 CD1 ILE A 20 0.191 2.265 -0.313 1.00 0.00 C ATOM 0 H ILE A 20 -0.499 0.440 2.049 1.00 0.00 H new ATOM 0 HA ILE A 20 1.850 0.006 0.599 1.00 0.00 H new ATOM 0 HB ILE A 20 1.618 1.994 2.808 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.384 2.438 1.741 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.753 3.661 1.208 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.089 3.329 1.206 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.830 1.775 1.659 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.040 1.956 0.075 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -0.637 2.885 -0.656 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.068 2.456 -0.932 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.086 1.214 -0.391 1.00 0.00 H new ATOM 349 N LYS A 21 2.025 -0.413 3.921 1.00 0.00 N ATOM 350 CA LYS A 21 2.737 -1.001 5.051 1.00 0.00 C ATOM 351 C LYS A 21 2.903 -2.500 4.836 1.00 0.00 C ATOM 352 O LYS A 21 3.848 -3.084 5.353 1.00 0.00 O ATOM 353 CB LYS A 21 1.963 -0.831 6.372 1.00 0.00 C ATOM 354 CG LYS A 21 1.291 0.530 6.551 1.00 0.00 C ATOM 355 CD LYS A 21 0.580 0.603 7.903 1.00 0.00 C ATOM 356 CE LYS A 21 -0.343 1.819 7.875 1.00 0.00 C ATOM 357 NZ LYS A 21 -1.017 2.052 9.161 1.00 0.00 N ATOM 0 H LYS A 21 1.137 0.012 4.189 1.00 0.00 H new ATOM 0 HA LYS A 21 3.697 -0.488 5.114 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.201 -1.608 6.432 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.650 -0.993 7.203 1.00 0.00 H new ATOM 0 HG2 LYS A 21 2.037 1.322 6.482 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.574 0.697 5.747 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.008 -0.307 8.085 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.305 0.691 8.712 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.236 2.703 7.608 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.093 1.682 7.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.630 2.889 9.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.593 1.222 9.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.305 2.211 9.902 1.00 0.00 H new ATOM 371 N GLU A 22 1.984 -3.145 4.116 1.00 0.00 N ATOM 372 CA GLU A 22 2.061 -4.574 3.891 1.00 0.00 C ATOM 373 C GLU A 22 3.139 -4.843 2.855 1.00 0.00 C ATOM 374 O GLU A 22 4.028 -5.645 3.134 1.00 0.00 O ATOM 375 CB GLU A 22 0.700 -5.172 3.489 1.00 0.00 C ATOM 376 CG GLU A 22 -0.333 -4.996 4.625 1.00 0.00 C ATOM 377 CD GLU A 22 -1.789 -5.417 4.346 1.00 0.00 C ATOM 378 OE1 GLU A 22 -2.616 -5.322 5.289 1.00 0.00 O ATOM 379 OE2 GLU A 22 -2.140 -5.792 3.204 1.00 0.00 O ATOM 0 H GLU A 22 1.180 -2.692 3.682 1.00 0.00 H new ATOM 0 HA GLU A 22 2.330 -5.072 4.823 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.337 -4.686 2.583 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.817 -6.231 3.258 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.019 -5.561 5.488 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.338 -3.945 4.913 1.00 0.00 H new ATOM 386 N ARG A 23 3.134 -4.152 1.708 1.00 0.00 N ATOM 387 CA ARG A 23 4.168 -4.400 0.702 1.00 0.00 C ATOM 388 C ARG A 23 5.543 -4.039 1.227 1.00 0.00 C ATOM 389 O ARG A 23 6.471 -4.812 1.015 1.00 0.00 O ATOM 390 CB ARG A 23 3.872 -3.764 -0.669 1.00 0.00 C ATOM 391 CG ARG A 23 3.521 -2.273 -0.703 1.00 0.00 C ATOM 392 CD ARG A 23 4.693 -1.287 -0.880 1.00 0.00 C ATOM 393 NE ARG A 23 5.685 -1.656 -1.916 1.00 0.00 N ATOM 394 CZ ARG A 23 5.524 -1.843 -3.237 1.00 0.00 C ATOM 395 NH1 ARG A 23 4.327 -1.756 -3.811 1.00 0.00 N ATOM 396 NH2 ARG A 23 6.575 -2.108 -4.006 1.00 0.00 N ATOM 0 H ARG A 23 2.448 -3.439 1.460 1.00 0.00 H new ATOM 0 HA ARG A 23 4.157 -5.474 0.514 1.00 0.00 H new ATOM 0 HB2 ARG A 23 4.744 -3.918 -1.305 1.00 0.00 H new ATOM 0 HB3 ARG A 23 3.046 -4.313 -1.122 1.00 0.00 H new ATOM 0 HG2 ARG A 23 2.813 -2.109 -1.516 1.00 0.00 H new ATOM 0 HG3 ARG A 23 3.005 -2.024 0.224 1.00 0.00 H new ATOM 0 HD2 ARG A 23 4.286 -0.306 -1.125 1.00 0.00 H new ATOM 0 HD3 ARG A 23 5.210 -1.189 0.075 1.00 0.00 H new ATOM 0 HE ARG A 23 6.637 -1.789 -1.574 1.00 0.00 H new ATOM 0 HH11 ARG A 23 3.505 -1.543 -3.246 1.00 0.00 H new ATOM 0 HH12 ARG A 23 4.231 -1.902 -4.816 1.00 0.00 H new ATOM 0 HH21 ARG A 23 7.506 -2.170 -3.594 1.00 0.00 H new ATOM 0 HH22 ARG A 23 6.451 -2.250 -5.008 1.00 0.00 H new ATOM 410 N ILE A 24 5.699 -2.921 1.931 1.00 0.00 N ATOM 411 CA ILE A 24 7.006 -2.529 2.442 1.00 0.00 C ATOM 412 C ILE A 24 7.499 -3.475 3.544 1.00 0.00 C ATOM 413 O ILE A 24 8.669 -3.855 3.535 1.00 0.00 O ATOM 414 CB ILE A 24 6.964 -1.060 2.919 1.00 0.00 C ATOM 415 CG1 ILE A 24 8.373 -0.526 3.231 1.00 0.00 C ATOM 416 CG2 ILE A 24 6.042 -0.879 4.132 1.00 0.00 C ATOM 417 CD1 ILE A 24 8.331 0.835 3.927 1.00 0.00 C ATOM 0 H ILE A 24 4.942 -2.276 2.158 1.00 0.00 H new ATOM 0 HA ILE A 24 7.729 -2.607 1.630 1.00 0.00 H new ATOM 0 HB ILE A 24 6.553 -0.476 2.096 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.899 -1.240 3.864 1.00 0.00 H new ATOM 0 HG13 ILE A 24 8.942 -0.442 2.305 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.041 0.168 4.435 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.029 -1.181 3.867 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.400 -1.495 4.957 1.00 0.00 H new ATOM 0 HD11 ILE A 24 9.348 1.173 4.128 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.829 1.557 3.283 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.786 0.746 4.867 1.00 0.00 H new ATOM 429 N GLN A 25 6.643 -3.862 4.497 1.00 0.00 N ATOM 430 CA GLN A 25 7.070 -4.716 5.593 1.00 0.00 C ATOM 431 C GLN A 25 7.236 -6.177 5.180 1.00 0.00 C ATOM 432 O GLN A 25 8.265 -6.781 5.473 1.00 0.00 O ATOM 433 CB GLN A 25 6.031 -4.610 6.720 1.00 0.00 C ATOM 434 CG GLN A 25 6.495 -5.232 8.041 1.00 0.00 C ATOM 435 CD GLN A 25 5.282 -5.529 8.913 1.00 0.00 C ATOM 436 OE1 GLN A 25 4.663 -4.624 9.475 1.00 0.00 O ATOM 437 NE2 GLN A 25 4.882 -6.785 8.999 1.00 0.00 N ATOM 0 H GLN A 25 5.659 -3.596 4.525 1.00 0.00 H new ATOM 0 HA GLN A 25 8.051 -4.374 5.924 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.793 -3.559 6.886 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.110 -5.099 6.401 1.00 0.00 H new ATOM 0 HG2 GLN A 25 7.052 -6.149 7.848 1.00 0.00 H new ATOM 0 HG3 GLN A 25 7.171 -4.552 8.559 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.407 -7.521 8.527 1.00 0.00 H new ATOM 0 HE22 GLN A 25 4.048 -7.019 9.537 1.00 0.00 H new ATOM 446 N ASN A 26 6.248 -6.745 4.484 1.00 0.00 N ATOM 447 CA ASN A 26 6.303 -8.141 4.058 1.00 0.00 C ATOM 448 C ASN A 26 7.354 -8.253 2.965 1.00 0.00 C ATOM 449 O ASN A 26 8.242 -9.092 3.071 1.00 0.00 O ATOM 450 CB ASN A 26 4.928 -8.685 3.614 1.00 0.00 C ATOM 451 CG ASN A 26 3.923 -8.712 4.762 1.00 0.00 C ATOM 452 OD1 ASN A 26 3.668 -9.742 5.374 1.00 0.00 O ATOM 453 ND2 ASN A 26 3.328 -7.576 5.070 1.00 0.00 N ATOM 0 H ASN A 26 5.398 -6.255 4.204 1.00 0.00 H new ATOM 0 HA ASN A 26 6.584 -8.768 4.904 1.00 0.00 H new ATOM 0 HB2 ASN A 26 4.538 -8.066 2.806 1.00 0.00 H new ATOM 0 HB3 ASN A 26 5.049 -9.692 3.215 1.00 0.00 H new ATOM 0 HD21 ASN A 26 2.645 -7.547 5.827 1.00 0.00 H new ATOM 0 HD22 ASN A 26 3.551 -6.727 4.551 1.00 0.00 H new ATOM 460 N SER A 27 7.280 -7.391 1.944 1.00 0.00 N ATOM 461 CA SER A 27 8.213 -7.347 0.803 1.00 0.00 C ATOM 462 C SER A 27 8.482 -8.764 0.278 1.00 0.00 C ATOM 463 O SER A 27 9.622 -9.212 0.126 1.00 0.00 O ATOM 464 CB SER A 27 9.486 -6.583 1.217 1.00 0.00 C ATOM 465 OG SER A 27 10.082 -5.928 0.107 1.00 0.00 O ATOM 0 H SER A 27 6.549 -6.682 1.884 1.00 0.00 H new ATOM 0 HA SER A 27 7.774 -6.802 -0.032 1.00 0.00 H new ATOM 0 HB2 SER A 27 9.238 -5.849 1.984 1.00 0.00 H new ATOM 0 HB3 SER A 27 10.201 -7.277 1.659 1.00 0.00 H new ATOM 0 HG SER A 27 10.886 -5.451 0.402 1.00 0.00 H new ATOM 834 N ILE A3289 5.959 7.033 0.027 1.00 0.00 N ATOM 835 CA ILE A3289 7.194 7.257 -0.718 1.00 0.00 C ATOM 836 C ILE A3289 6.851 7.231 -2.204 1.00 0.00 C ATOM 837 O ILE A3289 6.862 6.194 -2.868 1.00 0.00 O ATOM 838 CB ILE A3289 8.306 6.260 -0.311 1.00 0.00 C ATOM 839 CG1 ILE A3289 8.487 6.174 1.225 1.00 0.00 C ATOM 840 CG2 ILE A3289 9.633 6.706 -0.959 1.00 0.00 C ATOM 841 CD1 ILE A3289 9.437 5.065 1.693 1.00 0.00 C ATOM 0 HA ILE A3289 7.616 8.233 -0.477 1.00 0.00 H new ATOM 0 HB ILE A3289 8.014 5.269 -0.659 1.00 0.00 H new ATOM 0 HG12 ILE A3289 8.860 7.132 1.588 1.00 0.00 H new ATOM 0 HG13 ILE A3289 7.511 6.017 1.685 1.00 0.00 H new ATOM 0 HG21 ILE A3289 10.426 6.012 -0.680 1.00 0.00 H new ATOM 0 HG22 ILE A3289 9.523 6.715 -2.043 1.00 0.00 H new ATOM 0 HG23 ILE A3289 9.889 7.707 -0.612 1.00 0.00 H new ATOM 0 HD11 ILE A3289 9.504 5.078 2.781 1.00 0.00 H new ATOM 0 HD12 ILE A3289 9.057 4.098 1.365 1.00 0.00 H new ATOM 0 HD13 ILE A3289 10.427 5.230 1.267 1.00 0.00 H new ATOM 853 N GLU A3290 6.520 8.408 -2.711 1.00 0.00 N ATOM 854 CA GLU A3290 6.144 8.674 -4.090 1.00 0.00 C ATOM 855 C GLU A3290 7.309 8.484 -5.091 1.00 0.00 C ATOM 856 O GLU A3290 7.155 8.574 -6.304 1.00 0.00 O ATOM 857 CB GLU A3290 5.536 10.076 -4.142 1.00 0.00 C ATOM 858 CG GLU A3290 4.605 10.219 -5.337 1.00 0.00 C ATOM 859 CD GLU A3290 3.231 9.595 -5.099 1.00 0.00 C ATOM 860 OE1 GLU A3290 3.079 8.359 -5.219 1.00 0.00 O ATOM 861 OE2 GLU A3290 2.290 10.361 -4.777 1.00 0.00 O ATOM 0 H GLU A3290 6.506 9.252 -2.138 1.00 0.00 H new ATOM 0 HA GLU A3290 5.406 7.939 -4.412 1.00 0.00 H new ATOM 0 HB2 GLU A3290 4.986 10.273 -3.222 1.00 0.00 H new ATOM 0 HB3 GLU A3290 6.331 10.820 -4.204 1.00 0.00 H new ATOM 0 HG2 GLU A3290 4.482 11.277 -5.571 1.00 0.00 H new ATOM 0 HG3 GLU A3290 5.065 9.751 -6.207 1.00 0.00 H new ATOM 868 N THR A3291 8.505 8.237 -4.584 1.00 0.00 N ATOM 869 CA THR A3291 9.725 8.034 -5.357 1.00 0.00 C ATOM 870 C THR A3291 10.337 6.657 -5.046 1.00 0.00 C ATOM 871 O THR A3291 11.542 6.506 -4.852 1.00 0.00 O ATOM 872 CB THR A3291 10.597 9.288 -5.175 1.00 0.00 C ATOM 873 OG1 THR A3291 11.682 9.330 -6.075 1.00 0.00 O ATOM 874 CG2 THR A3291 11.069 9.514 -3.735 1.00 0.00 C ATOM 0 H THR A3291 8.662 8.169 -3.578 1.00 0.00 H new ATOM 0 HA THR A3291 9.563 7.959 -6.432 1.00 0.00 H new ATOM 0 HB THR A3291 9.933 10.118 -5.414 1.00 0.00 H new ATOM 0 HG1 THR A3291 12.127 8.457 -6.092 1.00 0.00 H new ATOM 0 HG21 THR A3291 11.678 10.417 -3.689 1.00 0.00 H new ATOM 0 HG22 THR A3291 10.204 9.626 -3.082 1.00 0.00 H new ATOM 0 HG23 THR A3291 11.662 8.660 -3.408 1.00 0.00 H new ATOM 882 N PHE A3292 9.478 5.635 -4.934 1.00 0.00 N ATOM 883 CA PHE A3292 9.880 4.257 -4.660 1.00 0.00 C ATOM 884 C PHE A3292 8.849 3.291 -5.237 1.00 0.00 C ATOM 885 O PHE A3292 9.175 2.472 -6.093 1.00 0.00 O ATOM 886 CB PHE A3292 10.049 4.058 -3.142 1.00 0.00 C ATOM 887 CG PHE A3292 10.459 2.679 -2.638 1.00 0.00 C ATOM 888 CD1 PHE A3292 11.118 1.739 -3.458 1.00 0.00 C ATOM 889 CD2 PHE A3292 10.204 2.353 -1.292 1.00 0.00 C ATOM 890 CE1 PHE A3292 11.491 0.485 -2.939 1.00 0.00 C ATOM 891 CE2 PHE A3292 10.596 1.108 -0.768 1.00 0.00 C ATOM 892 CZ PHE A3292 11.239 0.170 -1.593 1.00 0.00 C ATOM 0 H PHE A3292 8.469 5.749 -5.034 1.00 0.00 H new ATOM 0 HA PHE A3292 10.838 4.051 -5.138 1.00 0.00 H new ATOM 0 HB2 PHE A3292 10.792 4.775 -2.793 1.00 0.00 H new ATOM 0 HB3 PHE A3292 9.105 4.320 -2.665 1.00 0.00 H new ATOM 0 HD1 PHE A3292 11.337 1.982 -4.487 1.00 0.00 H new ATOM 0 HD2 PHE A3292 9.702 3.067 -0.655 1.00 0.00 H new ATOM 0 HE1 PHE A3292 11.974 -0.239 -3.579 1.00 0.00 H new ATOM 0 HE2 PHE A3292 10.403 0.873 0.268 1.00 0.00 H new ATOM 0 HZ PHE A3292 11.538 -0.788 -1.195 1.00 0.00 H new ATOM 902 N PHE A3293 7.592 3.413 -4.804 1.00 0.00 N ATOM 903 CA PHE A3293 6.492 2.553 -5.237 1.00 0.00 C ATOM 904 C PHE A3293 5.339 3.338 -5.854 1.00 0.00 C ATOM 905 O PHE A3293 4.254 2.788 -6.010 1.00 0.00 O ATOM 906 CB PHE A3293 6.052 1.654 -4.067 1.00 0.00 C ATOM 907 CG PHE A3293 5.998 2.331 -2.710 1.00 0.00 C ATOM 908 CD1 PHE A3293 6.786 1.853 -1.650 1.00 0.00 C ATOM 909 CD2 PHE A3293 5.195 3.468 -2.515 1.00 0.00 C ATOM 910 CE1 PHE A3293 6.755 2.489 -0.398 1.00 0.00 C ATOM 911 CE2 PHE A3293 5.168 4.109 -1.269 1.00 0.00 C ATOM 912 CZ PHE A3293 5.932 3.611 -0.198 1.00 0.00 C ATOM 0 H PHE A3293 7.307 4.125 -4.131 1.00 0.00 H new ATOM 0 HA PHE A3293 6.850 1.911 -6.042 1.00 0.00 H new ATOM 0 HB2 PHE A3293 5.065 1.251 -4.292 1.00 0.00 H new ATOM 0 HB3 PHE A3293 6.736 0.807 -4.005 1.00 0.00 H new ATOM 0 HD1 PHE A3293 7.420 0.991 -1.799 1.00 0.00 H new ATOM 0 HD2 PHE A3293 4.596 3.849 -3.329 1.00 0.00 H new ATOM 0 HE1 PHE A3293 7.364 2.116 0.412 1.00 0.00 H new ATOM 0 HE2 PHE A3293 4.558 4.989 -1.130 1.00 0.00 H new ATOM 0 HZ PHE A3293 5.887 4.087 0.770 1.00 0.00 H new ATOM 922 N ALA A3294 5.518 4.608 -6.219 1.00 0.00 N ATOM 923 CA ALA A3294 4.441 5.396 -6.811 1.00 0.00 C ATOM 924 C ALA A3294 3.780 4.720 -8.005 1.00 0.00 C ATOM 925 O ALA A3294 2.579 4.902 -8.202 1.00 0.00 O ATOM 926 CB ALA A3294 4.972 6.744 -7.268 1.00 0.00 C ATOM 0 H ALA A3294 6.399 5.111 -6.114 1.00 0.00 H new ATOM 0 HA ALA A3294 3.689 5.507 -6.029 1.00 0.00 H new ATOM 0 HB1 ALA A3294 4.161 7.324 -7.708 1.00 0.00 H new ATOM 0 HB2 ALA A3294 5.381 7.283 -6.413 1.00 0.00 H new ATOM 0 HB3 ALA A3294 5.755 6.594 -8.011 1.00 0.00 H new ATOM 932 N GLN A3295 4.561 3.979 -8.794 1.00 0.00 N ATOM 933 CA GLN A3295 4.059 3.290 -9.977 1.00 0.00 C ATOM 934 C GLN A3295 3.291 2.029 -9.594 1.00 0.00 C ATOM 935 O GLN A3295 2.525 1.487 -10.384 1.00 0.00 O ATOM 936 CB GLN A3295 5.224 2.931 -10.903 1.00 0.00 C ATOM 937 CG GLN A3295 6.193 4.099 -11.166 1.00 0.00 C ATOM 938 CD GLN A3295 5.519 5.416 -11.575 1.00 0.00 C ATOM 939 OE1 GLN A3295 4.531 5.431 -12.309 1.00 0.00 O ATOM 940 NE2 GLN A3295 6.016 6.548 -11.098 1.00 0.00 N ATOM 0 H GLN A3295 5.558 3.842 -8.628 1.00 0.00 H new ATOM 0 HA GLN A3295 3.374 3.960 -10.497 1.00 0.00 H new ATOM 0 HB2 GLN A3295 5.780 2.101 -10.467 1.00 0.00 H new ATOM 0 HB3 GLN A3295 4.825 2.581 -11.855 1.00 0.00 H new ATOM 0 HG2 GLN A3295 6.782 4.273 -10.266 1.00 0.00 H new ATOM 0 HG3 GLN A3295 6.890 3.805 -11.951 1.00 0.00 H new ATOM 0 HE21 GLN A3295 6.835 6.529 -10.490 1.00 0.00 H new ATOM 0 HE22 GLN A3295 5.580 7.438 -11.339 1.00 0.00 H new ATOM 949 N ASP A3296 3.595 1.463 -8.432 1.00 0.00 N ATOM 950 CA ASP A3296 2.939 0.274 -7.899 1.00 0.00 C ATOM 951 C ASP A3296 1.618 0.652 -7.260 1.00 0.00 C ATOM 952 O ASP A3296 0.645 -0.087 -7.384 1.00 0.00 O ATOM 953 CB ASP A3296 3.823 -0.438 -6.874 1.00 0.00 C ATOM 954 CG ASP A3296 5.015 -1.179 -7.463 1.00 0.00 C ATOM 955 OD1 ASP A3296 5.176 -1.215 -8.704 1.00 0.00 O ATOM 956 OD2 ASP A3296 5.800 -1.724 -6.656 1.00 0.00 O ATOM 0 H ASP A3296 4.323 1.827 -7.818 1.00 0.00 H new ATOM 0 HA ASP A3296 2.761 -0.410 -8.729 1.00 0.00 H new ATOM 0 HB2 ASP A3296 4.188 0.297 -6.157 1.00 0.00 H new ATOM 0 HB3 ASP A3296 3.211 -1.148 -6.318 1.00 0.00 H new ATOM 961 N ILE A3297 1.596 1.800 -6.586 1.00 0.00 N ATOM 962 CA ILE A3297 0.466 2.374 -5.878 1.00 0.00 C ATOM 963 C ILE A3297 -0.748 2.488 -6.795 1.00 0.00 C ATOM 964 O ILE A3297 -1.849 2.132 -6.381 1.00 0.00 O ATOM 965 CB ILE A3297 0.925 3.713 -5.245 1.00 0.00 C ATOM 966 CG1 ILE A3297 1.243 3.566 -3.741 1.00 0.00 C ATOM 967 CG2 ILE A3297 -0.090 4.846 -5.451 1.00 0.00 C ATOM 968 CD1 ILE A3297 2.108 2.347 -3.380 1.00 0.00 C ATOM 0 H ILE A3297 2.426 2.389 -6.519 1.00 0.00 H new ATOM 0 HA ILE A3297 0.134 1.727 -5.067 1.00 0.00 H new ATOM 0 HB ILE A3297 1.841 3.982 -5.771 1.00 0.00 H new ATOM 0 HG12 ILE A3297 1.752 4.468 -3.402 1.00 0.00 H new ATOM 0 HG13 ILE A3297 0.305 3.504 -3.190 1.00 0.00 H new ATOM 0 HG21 ILE A3297 0.284 5.759 -4.987 1.00 0.00 H new ATOM 0 HG22 ILE A3297 -0.235 5.015 -6.518 1.00 0.00 H new ATOM 0 HG23 ILE A3297 -1.041 4.570 -4.994 1.00 0.00 H new ATOM 0 HD11 ILE A3297 2.278 2.328 -2.304 1.00 0.00 H new ATOM 0 HD12 ILE A3297 1.595 1.434 -3.683 1.00 0.00 H new ATOM 0 HD13 ILE A3297 3.065 2.414 -3.898 1.00 0.00 H new ATOM 980 N GLU A3298 -0.558 2.990 -8.013 1.00 0.00 N ATOM 981 CA GLU A3298 -1.643 3.162 -8.975 1.00 0.00 C ATOM 982 C GLU A3298 -2.215 1.799 -9.369 1.00 0.00 C ATOM 983 O GLU A3298 -3.422 1.636 -9.514 1.00 0.00 O ATOM 984 CB GLU A3298 -1.157 3.954 -10.204 1.00 0.00 C ATOM 985 CG GLU A3298 0.198 3.456 -10.729 1.00 0.00 C ATOM 986 CD GLU A3298 0.454 3.779 -12.196 1.00 0.00 C ATOM 987 OE1 GLU A3298 0.877 4.922 -12.497 1.00 0.00 O ATOM 988 OE2 GLU A3298 0.302 2.859 -13.033 1.00 0.00 O ATOM 0 H GLU A3298 0.353 3.289 -8.361 1.00 0.00 H new ATOM 0 HA GLU A3298 -2.443 3.740 -8.512 1.00 0.00 H new ATOM 0 HB2 GLU A3298 -1.900 3.878 -10.998 1.00 0.00 H new ATOM 0 HB3 GLU A3298 -1.076 5.009 -9.943 1.00 0.00 H new ATOM 0 HG2 GLU A3298 0.993 3.897 -10.127 1.00 0.00 H new ATOM 0 HG3 GLU A3298 0.255 2.376 -10.591 1.00 0.00 H new ATOM 995 N SER A3299 -1.345 0.804 -9.478 1.00 0.00 N ATOM 996 CA SER A3299 -1.716 -0.550 -9.863 1.00 0.00 C ATOM 997 C SER A3299 -2.529 -1.209 -8.752 1.00 0.00 C ATOM 998 O SER A3299 -3.597 -1.771 -9.000 1.00 0.00 O ATOM 999 CB SER A3299 -0.444 -1.344 -10.212 1.00 0.00 C ATOM 1000 OG SER A3299 -0.708 -2.686 -10.587 1.00 0.00 O ATOM 0 H SER A3299 -0.347 0.917 -9.299 1.00 0.00 H new ATOM 0 HA SER A3299 -2.351 -0.530 -10.749 1.00 0.00 H new ATOM 0 HB2 SER A3299 0.078 -0.842 -11.027 1.00 0.00 H new ATOM 0 HB3 SER A3299 0.227 -1.339 -9.353 1.00 0.00 H new ATOM 0 HG SER A3299 0.135 -3.139 -10.798 1.00 0.00 H new ATOM 1006 N VAL A3300 -2.060 -1.138 -7.509 1.00 0.00 N ATOM 1007 CA VAL A3300 -2.752 -1.752 -6.386 1.00 0.00 C ATOM 1008 C VAL A3300 -4.018 -0.958 -6.029 1.00 0.00 C ATOM 1009 O VAL A3300 -5.008 -1.538 -5.591 1.00 0.00 O ATOM 1010 CB VAL A3300 -1.744 -2.000 -5.251 1.00 0.00 C ATOM 1011 CG1 VAL A3300 -1.228 -0.702 -4.637 1.00 0.00 C ATOM 1012 CG2 VAL A3300 -2.320 -2.906 -4.164 1.00 0.00 C ATOM 0 H VAL A3300 -1.197 -0.657 -7.256 1.00 0.00 H new ATOM 0 HA VAL A3300 -3.141 -2.738 -6.638 1.00 0.00 H new ATOM 0 HB VAL A3300 -0.897 -2.511 -5.710 1.00 0.00 H new ATOM 0 HG11 VAL A3300 -0.520 -0.932 -3.841 1.00 0.00 H new ATOM 0 HG12 VAL A3300 -0.731 -0.109 -5.405 1.00 0.00 H new ATOM 0 HG13 VAL A3300 -2.064 -0.136 -4.226 1.00 0.00 H new ATOM 0 HG21 VAL A3300 -1.575 -3.055 -3.382 1.00 0.00 H new ATOM 0 HG22 VAL A3300 -3.208 -2.441 -3.736 1.00 0.00 H new ATOM 0 HG23 VAL A3300 -2.588 -3.869 -4.598 1.00 0.00 H new ATOM 1022 N GLN A3301 -4.040 0.373 -6.157 1.00 0.00 N ATOM 1023 CA GLN A3301 -5.251 1.144 -5.862 1.00 0.00 C ATOM 1024 C GLN A3301 -6.304 0.913 -6.941 1.00 0.00 C ATOM 1025 O GLN A3301 -7.488 0.976 -6.617 1.00 0.00 O ATOM 1026 CB GLN A3301 -4.984 2.629 -5.598 1.00 0.00 C ATOM 1027 CG GLN A3301 -4.653 3.459 -6.842 1.00 0.00 C ATOM 1028 CD GLN A3301 -5.794 4.286 -7.442 1.00 0.00 C ATOM 1029 OE1 GLN A3301 -5.550 5.373 -7.953 1.00 0.00 O ATOM 1030 NE2 GLN A3301 -7.028 3.804 -7.465 1.00 0.00 N ATOM 0 H GLN A3301 -3.243 0.933 -6.459 1.00 0.00 H new ATOM 0 HA GLN A3301 -5.648 0.770 -4.919 1.00 0.00 H new ATOM 0 HB2 GLN A3301 -5.861 3.060 -5.115 1.00 0.00 H new ATOM 0 HB3 GLN A3301 -4.157 2.714 -4.893 1.00 0.00 H new ATOM 0 HG2 GLN A3301 -3.837 4.137 -6.591 1.00 0.00 H new ATOM 0 HG3 GLN A3301 -4.281 2.784 -7.612 1.00 0.00 H new ATOM 0 HE21 GLN A3301 -7.230 2.899 -7.040 1.00 0.00 H new ATOM 0 HE22 GLN A3301 -7.776 4.338 -7.908 1.00 0.00 H new ATOM 1039 N LYS A3302 -5.902 0.662 -8.196 1.00 0.00 N ATOM 1040 CA LYS A3302 -6.800 0.410 -9.322 1.00 0.00 C ATOM 1041 C LYS A3302 -7.752 -0.740 -9.026 1.00 0.00 C ATOM 1042 O LYS A3302 -8.849 -0.780 -9.583 1.00 0.00 O ATOM 1043 CB LYS A3302 -6.007 0.126 -10.603 1.00 0.00 C ATOM 1044 CG LYS A3302 -5.877 1.378 -11.482 1.00 0.00 C ATOM 1045 CD LYS A3302 -4.793 1.232 -12.553 1.00 0.00 C ATOM 1046 CE LYS A3302 -4.861 -0.082 -13.338 1.00 0.00 C ATOM 1047 NZ LYS A3302 -3.840 -0.123 -14.401 1.00 0.00 N ATOM 0 H LYS A3302 -4.917 0.629 -8.458 1.00 0.00 H new ATOM 0 HA LYS A3302 -7.394 1.312 -9.473 1.00 0.00 H new ATOM 0 HB2 LYS A3302 -5.014 -0.240 -10.342 1.00 0.00 H new ATOM 0 HB3 LYS A3302 -6.500 -0.665 -11.168 1.00 0.00 H new ATOM 0 HG2 LYS A3302 -6.834 1.581 -11.963 1.00 0.00 H new ATOM 0 HG3 LYS A3302 -5.648 2.238 -10.852 1.00 0.00 H new ATOM 0 HD2 LYS A3302 -4.874 2.065 -13.252 1.00 0.00 H new ATOM 0 HD3 LYS A3302 -3.815 1.308 -12.078 1.00 0.00 H new ATOM 0 HE2 LYS A3302 -4.716 -0.922 -12.659 1.00 0.00 H new ATOM 0 HE3 LYS A3302 -5.852 -0.195 -13.778 1.00 0.00 H new ATOM 0 HZ1 LYS A3302 -3.910 -1.024 -14.915 1.00 0.00 H new ATOM 0 HZ2 LYS A3302 -3.994 0.665 -15.061 1.00 0.00 H new ATOM 0 HZ3 LYS A3302 -2.894 -0.039 -13.977 1.00 0.00 H new ATOM 1061 N GLU A3303 -7.330 -1.677 -8.177 1.00 0.00 N ATOM 1062 CA GLU A3303 -8.187 -2.807 -7.823 1.00 0.00 C ATOM 1063 C GLU A3303 -9.253 -2.349 -6.809 1.00 0.00 C ATOM 1064 O GLU A3303 -10.437 -2.622 -6.961 1.00 0.00 O ATOM 1065 CB GLU A3303 -7.342 -4.038 -7.439 1.00 0.00 C ATOM 1066 CG GLU A3303 -6.856 -4.037 -5.989 1.00 0.00 C ATOM 1067 CD GLU A3303 -5.437 -4.572 -5.722 1.00 0.00 C ATOM 1068 OE1 GLU A3303 -4.604 -4.681 -6.655 1.00 0.00 O ATOM 1069 OE2 GLU A3303 -5.131 -4.838 -4.534 1.00 0.00 O ATOM 0 H GLU A3303 -6.414 -1.677 -7.728 1.00 0.00 H new ATOM 0 HA GLU A3303 -8.759 -3.158 -8.682 1.00 0.00 H new ATOM 0 HB2 GLU A3303 -7.932 -4.938 -7.612 1.00 0.00 H new ATOM 0 HB3 GLU A3303 -6.477 -4.092 -8.100 1.00 0.00 H new ATOM 0 HG2 GLU A3303 -6.907 -3.014 -5.616 1.00 0.00 H new ATOM 0 HG3 GLU A3303 -7.556 -4.627 -5.398 1.00 0.00 H new ATOM 1076 N LEU A3304 -8.867 -1.544 -5.818 1.00 0.00 N ATOM 1077 CA LEU A3304 -9.748 -1.051 -4.769 1.00 0.00 C ATOM 1078 C LEU A3304 -10.764 -0.013 -5.212 1.00 0.00 C ATOM 1079 O LEU A3304 -11.839 0.060 -4.629 1.00 0.00 O ATOM 1080 CB LEU A3304 -8.891 -0.403 -3.684 1.00 0.00 C ATOM 1081 CG LEU A3304 -7.935 -1.360 -2.953 1.00 0.00 C ATOM 1082 CD1 LEU A3304 -7.589 -0.696 -1.628 1.00 0.00 C ATOM 1083 CD2 LEU A3304 -8.502 -2.755 -2.677 1.00 0.00 C ATOM 0 H LEU A3304 -7.908 -1.211 -5.724 1.00 0.00 H new ATOM 0 HA LEU A3304 -10.310 -1.920 -4.428 1.00 0.00 H new ATOM 0 HB2 LEU A3304 -8.305 0.398 -4.135 1.00 0.00 H new ATOM 0 HB3 LEU A3304 -9.550 0.059 -2.949 1.00 0.00 H new ATOM 0 HG LEU A3304 -7.074 -1.526 -3.601 1.00 0.00 H new ATOM 0 HD11 LEU A3304 -6.909 -1.337 -1.066 1.00 0.00 H new ATOM 0 HD12 LEU A3304 -7.110 0.265 -1.817 1.00 0.00 H new ATOM 0 HD13 LEU A3304 -8.500 -0.540 -1.051 1.00 0.00 H new ATOM 0 HD21 LEU A3304 -7.754 -3.356 -2.159 1.00 0.00 H new ATOM 0 HD22 LEU A3304 -9.393 -2.669 -2.055 1.00 0.00 H new ATOM 0 HD23 LEU A3304 -8.763 -3.235 -3.620 1.00 0.00 H new ATOM 1095 N GLU A3305 -10.439 0.820 -6.194 1.00 0.00 N ATOM 1096 CA GLU A3305 -11.363 1.853 -6.669 1.00 0.00 C ATOM 1097 C GLU A3305 -12.647 1.269 -7.265 1.00 0.00 C ATOM 1098 O GLU A3305 -13.607 2.021 -7.436 1.00 0.00 O ATOM 1099 CB GLU A3305 -10.671 2.816 -7.642 1.00 0.00 C ATOM 1100 CG GLU A3305 -10.023 2.036 -8.785 1.00 0.00 C ATOM 1101 CD GLU A3305 -9.508 2.923 -9.916 1.00 0.00 C ATOM 1102 OE1 GLU A3305 -9.796 2.593 -11.091 1.00 0.00 O ATOM 1103 OE2 GLU A3305 -8.820 3.937 -9.652 1.00 0.00 O ATOM 0 H GLU A3305 -9.542 0.803 -6.680 1.00 0.00 H new ATOM 0 HA GLU A3305 -11.667 2.427 -5.794 1.00 0.00 H new ATOM 0 HB2 GLU A3305 -11.396 3.525 -8.041 1.00 0.00 H new ATOM 0 HB3 GLU A3305 -9.915 3.397 -7.114 1.00 0.00 H new ATOM 0 HG2 GLU A3305 -9.194 1.449 -8.389 1.00 0.00 H new ATOM 0 HG3 GLU A3305 -10.749 1.331 -9.190 1.00 0.00 H new ATOM 1110 N ASN A3306 -12.678 -0.029 -7.585 1.00 0.00 N ATOM 1111 CA ASN A3306 -13.861 -0.688 -8.127 1.00 0.00 C ATOM 1112 C ASN A3306 -14.528 -1.564 -7.066 1.00 0.00 C ATOM 1113 O ASN A3306 -15.546 -2.189 -7.369 1.00 0.00 O ATOM 1114 CB ASN A3306 -13.550 -1.471 -9.414 1.00 0.00 C ATOM 1115 CG ASN A3306 -12.783 -2.769 -9.188 1.00 0.00 C ATOM 1116 OD1 ASN A3306 -13.281 -3.742 -8.631 1.00 0.00 O ATOM 1117 ND2 ASN A3306 -11.551 -2.833 -9.652 1.00 0.00 N ATOM 0 H ASN A3306 -11.877 -0.651 -7.473 1.00 0.00 H new ATOM 0 HA ASN A3306 -14.572 0.089 -8.409 1.00 0.00 H new ATOM 0 HB2 ASN A3306 -14.487 -1.700 -9.922 1.00 0.00 H new ATOM 0 HB3 ASN A3306 -12.973 -0.833 -10.083 1.00 0.00 H new ATOM 0 HD21 ASN A3306 -11.011 -3.692 -9.548 1.00 0.00 H new ATOM 0 HD22 ASN A3306 -11.138 -2.024 -10.115 1.00 0.00 H new ATOM 1124 N LEU A3307 -13.983 -1.669 -5.847 1.00 0.00 N ATOM 1125 CA LEU A3307 -14.597 -2.488 -4.806 1.00 0.00 C ATOM 1126 C LEU A3307 -15.641 -1.686 -4.028 1.00 0.00 C ATOM 1127 O LEU A3307 -15.580 -0.462 -3.958 1.00 0.00 O ATOM 1128 CB LEU A3307 -13.520 -3.049 -3.852 1.00 0.00 C ATOM 1129 CG LEU A3307 -13.097 -4.528 -3.994 1.00 0.00 C ATOM 1130 CD1 LEU A3307 -14.023 -5.411 -4.830 1.00 0.00 C ATOM 1131 CD2 LEU A3307 -11.683 -4.686 -4.527 1.00 0.00 C ATOM 0 H LEU A3307 -13.124 -1.199 -5.563 1.00 0.00 H new ATOM 0 HA LEU A3307 -15.102 -3.326 -5.286 1.00 0.00 H new ATOM 0 HB2 LEU A3307 -12.625 -2.437 -3.968 1.00 0.00 H new ATOM 0 HB3 LEU A3307 -13.875 -2.904 -2.832 1.00 0.00 H new ATOM 0 HG LEU A3307 -13.162 -4.880 -2.965 1.00 0.00 H new ATOM 0 HD11 LEU A3307 -13.628 -6.426 -4.861 1.00 0.00 H new ATOM 0 HD12 LEU A3307 -15.017 -5.422 -4.383 1.00 0.00 H new ATOM 0 HD13 LEU A3307 -14.086 -5.015 -5.844 1.00 0.00 H new ATOM 0 HD21 LEU A3307 -11.440 -5.746 -4.606 1.00 0.00 H new ATOM 0 HD22 LEU A3307 -11.611 -4.223 -5.511 1.00 0.00 H new ATOM 0 HD23 LEU A3307 -10.982 -4.203 -3.847 1.00 0.00 H new ATOM 1143 N SER A3308 -16.606 -2.393 -3.441 1.00 0.00 N ATOM 1144 CA SER A3308 -17.692 -1.839 -2.641 1.00 0.00 C ATOM 1145 C SER A3308 -17.222 -1.615 -1.205 1.00 0.00 C ATOM 1146 O SER A3308 -16.159 -2.089 -0.810 1.00 0.00 O ATOM 1147 CB SER A3308 -18.863 -2.830 -2.663 1.00 0.00 C ATOM 1148 OG SER A3308 -19.326 -3.034 -3.986 1.00 0.00 O ATOM 0 H SER A3308 -16.652 -3.409 -3.514 1.00 0.00 H new ATOM 0 HA SER A3308 -18.007 -0.880 -3.052 1.00 0.00 H new ATOM 0 HB2 SER A3308 -18.548 -3.781 -2.233 1.00 0.00 H new ATOM 0 HB3 SER A3308 -19.676 -2.453 -2.043 1.00 0.00 H new ATOM 0 HG SER A3308 -20.071 -3.670 -3.977 1.00 0.00 H new ATOM 1154 N GLU A3309 -18.002 -0.904 -0.388 1.00 0.00 N ATOM 1155 CA GLU A3309 -17.629 -0.668 0.997 1.00 0.00 C ATOM 1156 C GLU A3309 -17.508 -2.010 1.687 1.00 0.00 C ATOM 1157 O GLU A3309 -16.521 -2.262 2.340 1.00 0.00 O ATOM 1158 CB GLU A3309 -18.685 0.146 1.757 1.00 0.00 C ATOM 1159 CG GLU A3309 -18.627 1.641 1.459 1.00 0.00 C ATOM 1160 CD GLU A3309 -20.018 2.232 1.240 1.00 0.00 C ATOM 1161 OE1 GLU A3309 -20.417 3.090 2.061 1.00 0.00 O ATOM 1162 OE2 GLU A3309 -20.695 1.820 0.269 1.00 0.00 O ATOM 0 H GLU A3309 -18.890 -0.486 -0.665 1.00 0.00 H new ATOM 0 HA GLU A3309 -16.694 -0.108 0.999 1.00 0.00 H new ATOM 0 HB2 GLU A3309 -19.676 -0.230 1.502 1.00 0.00 H new ATOM 0 HB3 GLU A3309 -18.551 -0.009 2.828 1.00 0.00 H new ATOM 0 HG2 GLU A3309 -18.139 2.157 2.286 1.00 0.00 H new ATOM 0 HG3 GLU A3309 -18.016 1.811 0.572 1.00 0.00 H new ATOM 1169 N GLU A3310 -18.434 -2.928 1.471 1.00 0.00 N ATOM 1170 CA GLU A3310 -18.440 -4.229 2.117 1.00 0.00 C ATOM 1171 C GLU A3310 -17.102 -4.938 1.926 1.00 0.00 C ATOM 1172 O GLU A3310 -16.782 -5.875 2.658 1.00 0.00 O ATOM 1173 CB GLU A3310 -19.598 -5.070 1.565 1.00 0.00 C ATOM 1174 CG GLU A3310 -20.955 -4.359 1.677 1.00 0.00 C ATOM 1175 CD GLU A3310 -22.128 -5.327 1.511 1.00 0.00 C ATOM 1176 OE1 GLU A3310 -23.046 -5.295 2.366 1.00 0.00 O ATOM 1177 OE2 GLU A3310 -22.087 -6.181 0.596 1.00 0.00 O ATOM 0 H GLU A3310 -19.216 -2.788 0.831 1.00 0.00 H new ATOM 0 HA GLU A3310 -18.585 -4.094 3.189 1.00 0.00 H new ATOM 0 HB2 GLU A3310 -19.402 -5.308 0.519 1.00 0.00 H new ATOM 0 HB3 GLU A3310 -19.643 -6.016 2.104 1.00 0.00 H new ATOM 0 HG2 GLU A3310 -21.027 -3.866 2.647 1.00 0.00 H new ATOM 0 HG3 GLU A3310 -21.019 -3.579 0.918 1.00 0.00 H new ATOM 1184 N GLU A3311 -16.420 -4.656 0.823 1.00 0.00 N ATOM 1185 CA GLU A3311 -15.133 -5.217 0.538 1.00 0.00 C ATOM 1186 C GLU A3311 -14.022 -4.448 1.261 1.00 0.00 C ATOM 1187 O GLU A3311 -13.294 -5.030 2.058 1.00 0.00 O ATOM 1188 CB GLU A3311 -14.985 -5.153 -0.977 1.00 0.00 C ATOM 1189 CG GLU A3311 -16.141 -5.865 -1.699 1.00 0.00 C ATOM 1190 CD GLU A3311 -16.094 -7.393 -1.524 1.00 0.00 C ATOM 1191 OE1 GLU A3311 -17.116 -7.973 -1.080 1.00 0.00 O ATOM 1192 OE2 GLU A3311 -15.026 -8.004 -1.762 1.00 0.00 O ATOM 0 H GLU A3311 -16.761 -4.022 0.101 1.00 0.00 H new ATOM 0 HA GLU A3311 -15.049 -6.244 0.893 1.00 0.00 H new ATOM 0 HB2 GLU A3311 -14.947 -4.111 -1.294 1.00 0.00 H new ATOM 0 HB3 GLU A3311 -14.039 -5.610 -1.269 1.00 0.00 H new ATOM 0 HG2 GLU A3311 -17.090 -5.488 -1.318 1.00 0.00 H new ATOM 0 HG3 GLU A3311 -16.105 -5.623 -2.761 1.00 0.00 H new ATOM 1199 N LEU A3312 -13.982 -3.121 1.068 1.00 0.00 N ATOM 1200 CA LEU A3312 -12.974 -2.204 1.620 1.00 0.00 C ATOM 1201 C LEU A3312 -13.135 -1.870 3.099 1.00 0.00 C ATOM 1202 O LEU A3312 -12.204 -1.991 3.892 1.00 0.00 O ATOM 1203 CB LEU A3312 -12.983 -0.865 0.853 1.00 0.00 C ATOM 1204 CG LEU A3312 -13.083 -0.966 -0.679 1.00 0.00 C ATOM 1205 CD1 LEU A3312 -13.835 0.246 -1.217 1.00 0.00 C ATOM 1206 CD2 LEU A3312 -11.706 -1.155 -1.307 1.00 0.00 C ATOM 0 H LEU A3312 -14.679 -2.638 0.501 1.00 0.00 H new ATOM 0 HA LEU A3312 -12.037 -2.749 1.505 1.00 0.00 H new ATOM 0 HB2 LEU A3312 -13.821 -0.268 1.213 1.00 0.00 H new ATOM 0 HB3 LEU A3312 -12.073 -0.320 1.103 1.00 0.00 H new ATOM 0 HG LEU A3312 -13.654 -1.852 -0.957 1.00 0.00 H new ATOM 0 HD11 LEU A3312 -13.907 0.177 -2.302 1.00 0.00 H new ATOM 0 HD12 LEU A3312 -14.836 0.273 -0.788 1.00 0.00 H new ATOM 0 HD13 LEU A3312 -13.300 1.156 -0.946 1.00 0.00 H new ATOM 0 HD21 LEU A3312 -11.806 -1.223 -2.390 1.00 0.00 H new ATOM 0 HD22 LEU A3312 -11.071 -0.306 -1.054 1.00 0.00 H new ATOM 0 HD23 LEU A3312 -11.255 -2.071 -0.926 1.00 0.00 H new ATOM 1218 N LEU A3313 -14.329 -1.408 3.455 1.00 0.00 N ATOM 1219 CA LEU A3313 -14.775 -1.030 4.784 1.00 0.00 C ATOM 1220 C LEU A3313 -14.525 -2.220 5.688 1.00 0.00 C ATOM 1221 O LEU A3313 -14.040 -2.051 6.800 1.00 0.00 O ATOM 1222 CB LEU A3313 -16.259 -0.541 4.754 1.00 0.00 C ATOM 1223 CG LEU A3313 -16.951 -0.279 6.114 1.00 0.00 C ATOM 1224 CD1 LEU A3313 -17.387 -1.555 6.848 1.00 0.00 C ATOM 1225 CD2 LEU A3313 -16.168 0.606 7.084 1.00 0.00 C ATOM 0 H LEU A3313 -15.067 -1.279 2.763 1.00 0.00 H new ATOM 0 HA LEU A3313 -14.220 -0.178 5.177 1.00 0.00 H new ATOM 0 HB2 LEU A3313 -16.298 0.381 4.173 1.00 0.00 H new ATOM 0 HB3 LEU A3313 -16.847 -1.283 4.214 1.00 0.00 H new ATOM 0 HG LEU A3313 -17.838 0.275 5.806 1.00 0.00 H new ATOM 0 HD11 LEU A3313 -17.863 -1.287 7.791 1.00 0.00 H new ATOM 0 HD12 LEU A3313 -18.094 -2.108 6.229 1.00 0.00 H new ATOM 0 HD13 LEU A3313 -16.514 -2.177 7.046 1.00 0.00 H new ATOM 0 HD21 LEU A3313 -16.737 0.728 8.005 1.00 0.00 H new ATOM 0 HD22 LEU A3313 -15.209 0.139 7.309 1.00 0.00 H new ATOM 0 HD23 LEU A3313 -15.998 1.582 6.630 1.00 0.00 H new ATOM 1237 N ALA A3314 -14.774 -3.435 5.210 1.00 0.00 N ATOM 1238 CA ALA A3314 -14.552 -4.594 6.050 1.00 0.00 C ATOM 1239 C ALA A3314 -13.059 -4.841 6.312 1.00 0.00 C ATOM 1240 O ALA A3314 -12.712 -5.384 7.354 1.00 0.00 O ATOM 1241 CB ALA A3314 -15.218 -5.780 5.380 1.00 0.00 C ATOM 0 H ALA A3314 -15.120 -3.635 4.271 1.00 0.00 H new ATOM 0 HA ALA A3314 -14.991 -4.429 7.034 1.00 0.00 H new ATOM 0 HB1 ALA A3314 -15.069 -6.672 5.988 1.00 0.00 H new ATOM 0 HB2 ALA A3314 -16.285 -5.586 5.275 1.00 0.00 H new ATOM 0 HB3 ALA A3314 -14.778 -5.935 4.395 1.00 0.00 H new ATOM 1247 N MET A3315 -12.155 -4.433 5.417 1.00 0.00 N ATOM 1248 CA MET A3315 -10.715 -4.658 5.584 1.00 0.00 C ATOM 1249 C MET A3315 -10.174 -3.730 6.647 1.00 0.00 C ATOM 1250 O MET A3315 -9.518 -4.148 7.600 1.00 0.00 O ATOM 1251 CB MET A3315 -9.942 -4.382 4.283 1.00 0.00 C ATOM 1252 CG MET A3315 -10.527 -5.123 3.093 1.00 0.00 C ATOM 1253 SD MET A3315 -9.513 -6.471 2.439 1.00 0.00 S ATOM 1254 CE MET A3315 -10.793 -7.361 1.513 1.00 0.00 C ATOM 0 H MET A3315 -12.399 -3.939 4.559 1.00 0.00 H new ATOM 0 HA MET A3315 -10.581 -5.702 5.867 1.00 0.00 H new ATOM 0 HB2 MET A3315 -9.949 -3.311 4.080 1.00 0.00 H new ATOM 0 HB3 MET A3315 -8.900 -4.675 4.414 1.00 0.00 H new ATOM 0 HG2 MET A3315 -11.497 -5.528 3.381 1.00 0.00 H new ATOM 0 HG3 MET A3315 -10.706 -4.405 2.293 1.00 0.00 H new ATOM 0 HE1 MET A3315 -10.353 -8.236 1.033 1.00 0.00 H new ATOM 0 HE2 MET A3315 -11.581 -7.679 2.196 1.00 0.00 H new ATOM 0 HE3 MET A3315 -11.215 -6.704 0.753 1.00 0.00 H new ATOM 1264 N LEU A3316 -10.408 -2.433 6.448 1.00 0.00 N ATOM 1265 CA LEU A3316 -9.969 -1.401 7.367 1.00 0.00 C ATOM 1266 C LEU A3316 -10.631 -1.585 8.728 1.00 0.00 C ATOM 1267 O LEU A3316 -9.958 -1.426 9.744 1.00 0.00 O ATOM 1268 CB LEU A3316 -10.212 0.000 6.786 1.00 0.00 C ATOM 1269 CG LEU A3316 -11.674 0.281 6.377 1.00 0.00 C ATOM 1270 CD1 LEU A3316 -12.539 0.905 7.487 1.00 0.00 C ATOM 1271 CD2 LEU A3316 -11.702 1.257 5.203 1.00 0.00 C ATOM 0 H LEU A3316 -10.911 -2.074 5.637 1.00 0.00 H new ATOM 0 HA LEU A3316 -8.893 -1.497 7.511 1.00 0.00 H new ATOM 0 HB2 LEU A3316 -9.905 0.743 7.523 1.00 0.00 H new ATOM 0 HB3 LEU A3316 -9.572 0.133 5.914 1.00 0.00 H new ATOM 0 HG LEU A3316 -12.089 -0.696 6.131 1.00 0.00 H new ATOM 0 HD11 LEU A3316 -13.550 1.068 7.112 1.00 0.00 H new ATOM 0 HD12 LEU A3316 -12.574 0.231 8.343 1.00 0.00 H new ATOM 0 HD13 LEU A3316 -12.107 1.858 7.792 1.00 0.00 H new ATOM 0 HD21 LEU A3316 -12.735 1.453 4.917 1.00 0.00 H new ATOM 0 HD22 LEU A3316 -11.223 2.191 5.495 1.00 0.00 H new ATOM 0 HD23 LEU A3316 -11.167 0.824 4.357 1.00 0.00 H new ATOM 1283 N ASN A3317 -11.913 -1.966 8.762 1.00 0.00 N ATOM 1284 CA ASN A3317 -12.609 -2.153 10.030 1.00 0.00 C ATOM 1285 C ASN A3317 -12.213 -3.476 10.678 1.00 0.00 C ATOM 1286 O ASN A3317 -12.169 -3.576 11.905 1.00 0.00 O ATOM 1287 CB ASN A3317 -14.131 -2.149 9.823 1.00 0.00 C ATOM 1288 CG ASN A3317 -14.824 -1.720 11.098 1.00 0.00 C ATOM 1289 OD1 ASN A3317 -15.029 -2.492 12.025 1.00 0.00 O ATOM 1290 ND2 ASN A3317 -15.144 -0.441 11.158 1.00 0.00 N ATOM 0 H ASN A3317 -12.480 -2.148 7.934 1.00 0.00 H new ATOM 0 HA ASN A3317 -12.324 -1.326 10.680 1.00 0.00 H new ATOM 0 HB2 ASN A3317 -14.394 -1.472 9.010 1.00 0.00 H new ATOM 0 HB3 ASN A3317 -14.470 -3.143 9.532 1.00 0.00 H new ATOM 0 HD21 ASN A3317 -15.579 -0.063 12.000 1.00 0.00 H new ATOM 0 HD22 ASN A3317 -14.956 0.170 10.363 1.00 0.00 H new ATOM 1297 N GLY A3318 -11.814 -4.438 9.846 1.00 0.00 N ATOM 1298 CA GLY A3318 -11.410 -5.779 10.242 1.00 0.00 C ATOM 1299 C GLY A3318 -12.611 -6.677 10.544 1.00 0.00 C ATOM 1300 O GLY A3318 -12.479 -7.629 11.318 1.00 0.00 O ATOM 0 H GLY A3318 -11.763 -4.294 8.837 1.00 0.00 H new ATOM 0 HA2 GLY A3318 -10.814 -6.227 9.447 1.00 0.00 H new ATOM 0 HA3 GLY A3318 -10.772 -5.719 11.124 1.00 0.00 H new