USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=8 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= 0.867 K(o=0.87,f=-0.17) USER MOD Set 1.2: A 17 GLN : amide:sc= 0 X(o=0.87,f=0.83) USER MOD Single : A 4 ASN : amide:sc= -0.47 X(o=-0.47,f=-0.26) USER MOD Single : A 6 GLN : amide:sc= -0.23 X(o=-0.23,f=-0.32) USER MOD Single : A 7 THR OG1 : rot 119:sc= 0.863 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -108:sc= -0.268 (180deg=-1.32!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc=-0.00428 X(o=-0.0043,f=-0.088) USER MOD Single : A 26 ASN : amide:sc= 0.762 K(o=0.76,f=0) USER MOD Single : A 27 SER OG : rot 29:sc= 1.21 USER MOD Single : A3291 THR OG1 : rot -54:sc= 0.116 USER MOD Single : A3295 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A3299 SER OG : rot 180:sc= 0 USER MOD Single : A3301 GLN :FLIP amide:sc=-0.00873 F(o=-1.5!,f=-0.0087) USER MOD Single : A3302 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A3306 ASN : amide:sc= 0.033 X(o=0.033,f=0) USER MOD Single : A3308 SER OG : rot 180:sc= 0 USER MOD Single : A3315 MET CE :methyl 179:sc= 0 (180deg=-0.00255) USER MOD Single : A3317 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 32 N ILE A 3 -25.240 9.829 -1.567 1.00 0.00 N ATOM 33 CA ILE A 3 -24.433 8.965 -2.415 1.00 0.00 C ATOM 34 C ILE A 3 -23.749 7.795 -1.699 1.00 0.00 C ATOM 35 O ILE A 3 -23.352 7.854 -0.531 1.00 0.00 O ATOM 36 CB ILE A 3 -23.443 9.850 -3.204 1.00 0.00 C ATOM 37 CG1 ILE A 3 -22.803 9.155 -4.421 1.00 0.00 C ATOM 38 CG2 ILE A 3 -22.342 10.387 -2.274 1.00 0.00 C ATOM 39 CD1 ILE A 3 -23.797 8.655 -5.471 1.00 0.00 C ATOM 0 HA ILE A 3 -25.109 8.453 -3.100 1.00 0.00 H new ATOM 0 HB ILE A 3 -24.040 10.671 -3.600 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -22.112 9.851 -4.897 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -22.212 8.310 -4.069 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -21.653 11.008 -2.846 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -22.794 10.982 -1.481 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -21.797 9.551 -1.835 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -23.255 8.181 -6.289 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -24.473 7.931 -5.016 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -24.372 9.496 -5.857 1.00 0.00 H new ATOM 51 N ASN A 4 -23.540 6.736 -2.468 1.00 0.00 N ATOM 52 CA ASN A 4 -22.914 5.484 -2.080 1.00 0.00 C ATOM 53 C ASN A 4 -21.606 5.319 -2.841 1.00 0.00 C ATOM 54 O ASN A 4 -20.561 5.277 -2.208 1.00 0.00 O ATOM 55 CB ASN A 4 -23.900 4.315 -2.253 1.00 0.00 C ATOM 56 CG ASN A 4 -24.628 4.389 -3.585 1.00 0.00 C ATOM 57 OD1 ASN A 4 -25.627 5.088 -3.717 1.00 0.00 O ATOM 58 ND2 ASN A 4 -24.065 3.806 -4.616 1.00 0.00 N ATOM 0 H ASN A 4 -23.824 6.731 -3.448 1.00 0.00 H new ATOM 0 HA ASN A 4 -22.658 5.491 -1.020 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -23.361 3.370 -2.185 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -24.626 4.327 -1.440 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -24.458 3.930 -5.549 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -23.234 3.229 -4.485 1.00 0.00 H new ATOM 65 N GLU A 5 -21.619 5.407 -4.168 1.00 0.00 N ATOM 66 CA GLU A 5 -20.451 5.239 -5.036 1.00 0.00 C ATOM 67 C GLU A 5 -19.309 6.213 -4.737 1.00 0.00 C ATOM 68 O GLU A 5 -18.149 5.818 -4.817 1.00 0.00 O ATOM 69 CB GLU A 5 -20.896 5.378 -6.495 1.00 0.00 C ATOM 70 CG GLU A 5 -21.328 4.028 -7.079 1.00 0.00 C ATOM 71 CD GLU A 5 -22.007 4.213 -8.431 1.00 0.00 C ATOM 72 OE1 GLU A 5 -21.428 4.865 -9.331 1.00 0.00 O ATOM 73 OE2 GLU A 5 -23.166 3.770 -8.585 1.00 0.00 O ATOM 0 H GLU A 5 -22.473 5.604 -4.690 1.00 0.00 H new ATOM 0 HA GLU A 5 -20.048 4.245 -4.842 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -21.723 6.085 -6.559 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -20.079 5.788 -7.089 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -20.458 3.380 -7.190 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -22.010 3.531 -6.390 1.00 0.00 H new ATOM 80 N GLN A 6 -19.627 7.472 -4.428 1.00 0.00 N ATOM 81 CA GLN A 6 -18.636 8.504 -4.095 1.00 0.00 C ATOM 82 C GLN A 6 -18.142 8.304 -2.663 1.00 0.00 C ATOM 83 O GLN A 6 -17.086 8.810 -2.289 1.00 0.00 O ATOM 84 CB GLN A 6 -19.189 9.922 -4.245 1.00 0.00 C ATOM 85 CG GLN A 6 -19.372 10.377 -5.697 1.00 0.00 C ATOM 86 CD GLN A 6 -20.241 11.630 -5.749 1.00 0.00 C ATOM 87 OE1 GLN A 6 -20.136 12.528 -4.909 1.00 0.00 O ATOM 88 NE2 GLN A 6 -21.181 11.679 -6.673 1.00 0.00 N ATOM 0 H GLN A 6 -20.589 7.810 -4.401 1.00 0.00 H new ATOM 0 HA GLN A 6 -17.813 8.396 -4.802 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -20.150 9.981 -3.734 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -18.517 10.617 -3.741 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -18.401 10.580 -6.148 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -19.834 9.580 -6.280 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -21.258 10.931 -7.362 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -21.831 12.465 -6.698 1.00 0.00 H new ATOM 97 N THR A 7 -18.953 7.697 -1.797 1.00 0.00 N ATOM 98 CA THR A 7 -18.535 7.463 -0.430 1.00 0.00 C ATOM 99 C THR A 7 -17.458 6.375 -0.399 1.00 0.00 C ATOM 100 O THR A 7 -16.502 6.511 0.350 1.00 0.00 O ATOM 101 CB THR A 7 -19.737 7.078 0.431 1.00 0.00 C ATOM 102 OG1 THR A 7 -20.716 8.111 0.406 1.00 0.00 O ATOM 103 CG2 THR A 7 -19.256 6.857 1.863 1.00 0.00 C ATOM 0 H THR A 7 -19.891 7.365 -2.021 1.00 0.00 H new ATOM 0 HA THR A 7 -18.110 8.378 -0.019 1.00 0.00 H new ATOM 0 HB THR A 7 -20.190 6.167 0.041 1.00 0.00 H new ATOM 0 HG1 THR A 7 -21.551 7.761 0.031 1.00 0.00 H new ATOM 0 HG21 THR A 7 -20.102 6.581 2.492 1.00 0.00 H new ATOM 0 HG22 THR A 7 -18.516 6.057 1.879 1.00 0.00 H new ATOM 0 HG23 THR A 7 -18.806 7.775 2.242 1.00 0.00 H new ATOM 111 N LEU A 8 -17.521 5.356 -1.260 1.00 0.00 N ATOM 112 CA LEU A 8 -16.563 4.248 -1.320 1.00 0.00 C ATOM 113 C LEU A 8 -15.162 4.828 -1.449 1.00 0.00 C ATOM 114 O LEU A 8 -14.226 4.199 -0.982 1.00 0.00 O ATOM 115 CB LEU A 8 -16.812 3.320 -2.527 1.00 0.00 C ATOM 116 CG LEU A 8 -18.299 3.058 -2.840 1.00 0.00 C ATOM 117 CD1 LEU A 8 -18.522 2.134 -4.027 1.00 0.00 C ATOM 118 CD2 LEU A 8 -19.064 2.519 -1.635 1.00 0.00 C ATOM 0 H LEU A 8 -18.262 5.276 -1.956 1.00 0.00 H new ATOM 0 HA LEU A 8 -16.679 3.659 -0.411 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -16.341 3.757 -3.407 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -16.320 2.365 -2.342 1.00 0.00 H new ATOM 0 HG LEU A 8 -18.692 4.040 -3.103 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -19.592 1.997 -4.186 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -18.076 2.574 -4.919 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -18.058 1.168 -3.828 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -20.105 2.352 -1.910 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -18.619 1.578 -1.312 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -19.015 3.241 -0.820 1.00 0.00 H new ATOM 130 N ASP A 9 -15.009 6.002 -2.071 1.00 0.00 N ATOM 131 CA ASP A 9 -13.729 6.684 -2.264 1.00 0.00 C ATOM 132 C ASP A 9 -12.990 6.843 -0.929 1.00 0.00 C ATOM 133 O ASP A 9 -11.767 6.678 -0.895 1.00 0.00 O ATOM 134 CB ASP A 9 -13.893 8.072 -2.896 1.00 0.00 C ATOM 135 CG ASP A 9 -13.816 8.132 -4.420 1.00 0.00 C ATOM 136 OD1 ASP A 9 -13.004 8.929 -4.935 1.00 0.00 O ATOM 137 OD2 ASP A 9 -14.558 7.396 -5.103 1.00 0.00 O ATOM 0 H ASP A 9 -15.796 6.517 -2.465 1.00 0.00 H new ATOM 0 HA ASP A 9 -13.152 6.058 -2.945 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -14.855 8.478 -2.585 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -13.124 8.727 -2.488 1.00 0.00 H new ATOM 142 N LYS A 10 -13.691 7.167 0.170 1.00 0.00 N ATOM 143 CA LYS A 10 -13.058 7.323 1.490 1.00 0.00 C ATOM 144 C LYS A 10 -12.686 5.960 2.072 1.00 0.00 C ATOM 145 O LYS A 10 -11.783 5.864 2.904 1.00 0.00 O ATOM 146 CB LYS A 10 -13.915 8.168 2.450 1.00 0.00 C ATOM 147 CG LYS A 10 -15.050 7.421 3.147 1.00 0.00 C ATOM 148 CD LYS A 10 -15.946 8.312 3.993 1.00 0.00 C ATOM 149 CE LYS A 10 -15.732 8.010 5.471 1.00 0.00 C ATOM 150 NZ LYS A 10 -16.624 6.936 5.956 1.00 0.00 N ATOM 0 H LYS A 10 -14.698 7.326 0.170 1.00 0.00 H new ATOM 0 HA LYS A 10 -12.132 7.882 1.356 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -13.263 8.595 3.212 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -14.341 9.001 1.891 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -15.659 6.921 2.394 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -14.624 6.643 3.781 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -15.725 9.360 3.792 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -16.991 8.149 3.727 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -14.694 7.719 5.634 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -15.905 8.915 6.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -16.444 6.764 6.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -17.615 7.222 5.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -16.442 6.064 5.419 1.00 0.00 H new ATOM 164 N LEU A 11 -13.433 4.921 1.710 1.00 0.00 N ATOM 165 CA LEU A 11 -13.230 3.559 2.174 1.00 0.00 C ATOM 166 C LEU A 11 -12.037 2.933 1.474 1.00 0.00 C ATOM 167 O LEU A 11 -11.106 2.463 2.112 1.00 0.00 O ATOM 168 CB LEU A 11 -14.482 2.683 1.966 1.00 0.00 C ATOM 169 CG LEU A 11 -15.678 2.905 2.900 1.00 0.00 C ATOM 170 CD1 LEU A 11 -15.308 2.994 4.373 1.00 0.00 C ATOM 171 CD2 LEU A 11 -16.480 4.143 2.522 1.00 0.00 C ATOM 0 H LEU A 11 -14.219 5.010 1.066 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.036 3.609 3.245 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -14.826 2.829 0.942 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -14.178 1.640 2.054 1.00 0.00 H new ATOM 0 HG LEU A 11 -16.288 2.012 2.764 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -16.209 3.151 4.966 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -14.827 2.067 4.684 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -14.623 3.828 4.526 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -17.316 4.259 3.211 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -15.839 5.023 2.578 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -16.860 4.034 1.506 1.00 0.00 H new ATOM 183 N ARG A 12 -12.016 2.922 0.148 1.00 0.00 N ATOM 184 CA ARG A 12 -10.935 2.332 -0.633 1.00 0.00 C ATOM 185 C ARG A 12 -9.593 2.929 -0.264 1.00 0.00 C ATOM 186 O ARG A 12 -8.640 2.181 -0.076 1.00 0.00 O ATOM 187 CB ARG A 12 -11.253 2.390 -2.132 1.00 0.00 C ATOM 188 CG ARG A 12 -11.803 3.748 -2.612 1.00 0.00 C ATOM 189 CD ARG A 12 -10.864 4.421 -3.586 1.00 0.00 C ATOM 190 NE ARG A 12 -10.750 5.876 -3.424 1.00 0.00 N ATOM 191 CZ ARG A 12 -10.743 6.801 -4.390 1.00 0.00 C ATOM 192 NH1 ARG A 12 -11.104 6.519 -5.636 1.00 0.00 N ATOM 193 NH2 ARG A 12 -10.385 8.037 -4.069 1.00 0.00 N ATOM 0 H ARG A 12 -12.758 3.327 -0.423 1.00 0.00 H new ATOM 0 HA ARG A 12 -10.856 1.274 -0.382 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -10.347 2.159 -2.693 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -11.980 1.613 -2.368 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -12.773 3.600 -3.086 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -11.964 4.399 -1.753 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -9.874 3.979 -3.479 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -11.201 4.207 -4.600 1.00 0.00 H new ATOM 0 HE ARG A 12 -10.667 6.220 -2.467 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -11.398 5.573 -5.880 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -11.087 7.248 -6.349 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -10.125 8.259 -3.108 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -10.369 8.765 -4.783 1.00 0.00 H new ATOM 207 N GLN A 13 -9.516 4.245 -0.096 1.00 0.00 N ATOM 208 CA GLN A 13 -8.276 4.904 0.287 1.00 0.00 C ATOM 209 C GLN A 13 -7.871 4.476 1.711 1.00 0.00 C ATOM 210 O GLN A 13 -6.688 4.314 2.008 1.00 0.00 O ATOM 211 CB GLN A 13 -8.407 6.412 0.041 1.00 0.00 C ATOM 212 CG GLN A 13 -9.387 7.118 0.976 1.00 0.00 C ATOM 213 CD GLN A 13 -8.773 7.618 2.280 1.00 0.00 C ATOM 214 OE1 GLN A 13 -7.769 8.322 2.279 1.00 0.00 O ATOM 215 NE2 GLN A 13 -9.365 7.303 3.415 1.00 0.00 N ATOM 0 H GLN A 13 -10.305 4.879 -0.221 1.00 0.00 H new ATOM 0 HA GLN A 13 -7.438 4.590 -0.335 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.425 6.873 0.148 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.725 6.574 -0.989 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -9.826 7.965 0.448 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.201 6.433 1.212 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -10.200 6.717 3.409 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -8.988 7.645 4.299 1.00 0.00 H new ATOM 224 N ALA A 14 -8.840 4.234 2.601 1.00 0.00 N ATOM 225 CA ALA A 14 -8.582 3.802 3.965 1.00 0.00 C ATOM 226 C ALA A 14 -7.998 2.383 3.930 1.00 0.00 C ATOM 227 O ALA A 14 -7.098 2.062 4.713 1.00 0.00 O ATOM 228 CB ALA A 14 -9.886 3.884 4.770 1.00 0.00 C ATOM 0 H ALA A 14 -9.832 4.336 2.385 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.854 4.448 4.456 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -9.702 3.562 5.795 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.248 4.912 4.773 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.636 3.237 4.315 1.00 0.00 H new ATOM 234 N VAL A 15 -8.487 1.539 3.017 1.00 0.00 N ATOM 235 CA VAL A 15 -8.025 0.173 2.849 1.00 0.00 C ATOM 236 C VAL A 15 -6.652 0.162 2.190 1.00 0.00 C ATOM 237 O VAL A 15 -5.731 -0.411 2.767 1.00 0.00 O ATOM 238 CB VAL A 15 -9.011 -0.654 2.013 1.00 0.00 C ATOM 239 CG1 VAL A 15 -8.535 -2.102 1.785 1.00 0.00 C ATOM 240 CG2 VAL A 15 -10.374 -0.736 2.675 1.00 0.00 C ATOM 0 H VAL A 15 -9.228 1.798 2.366 1.00 0.00 H new ATOM 0 HA VAL A 15 -7.957 -0.280 3.838 1.00 0.00 H new ATOM 0 HB VAL A 15 -9.072 -0.133 1.058 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.273 -2.638 1.188 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.580 -2.093 1.259 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -8.415 -2.601 2.747 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -11.045 -1.329 2.054 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -10.275 -1.205 3.654 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -10.782 0.268 2.794 1.00 0.00 H new ATOM 250 N LEU A 16 -6.466 0.805 1.026 1.00 0.00 N ATOM 251 CA LEU A 16 -5.169 0.800 0.340 1.00 0.00 C ATOM 252 C LEU A 16 -4.042 1.236 1.270 1.00 0.00 C ATOM 253 O LEU A 16 -2.949 0.687 1.174 1.00 0.00 O ATOM 254 CB LEU A 16 -5.188 1.552 -1.003 1.00 0.00 C ATOM 255 CG LEU A 16 -5.181 3.089 -0.937 1.00 0.00 C ATOM 256 CD1 LEU A 16 -3.758 3.661 -0.947 1.00 0.00 C ATOM 257 CD2 LEU A 16 -5.947 3.654 -2.138 1.00 0.00 C ATOM 0 H LEU A 16 -7.195 1.332 0.544 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.960 -0.234 0.067 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.322 1.233 -1.583 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.075 1.240 -1.555 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.657 3.378 -0.000 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.803 4.749 -0.899 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.208 3.282 -0.086 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.251 3.359 -1.863 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.943 4.743 -2.093 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.468 3.328 -3.061 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.976 3.294 -2.116 1.00 0.00 H new ATOM 269 N GLN A 17 -4.299 2.135 2.228 1.00 0.00 N ATOM 270 CA GLN A 17 -3.275 2.566 3.171 1.00 0.00 C ATOM 271 C GLN A 17 -2.677 1.365 3.921 1.00 0.00 C ATOM 272 O GLN A 17 -1.473 1.393 4.186 1.00 0.00 O ATOM 273 CB GLN A 17 -3.819 3.661 4.096 1.00 0.00 C ATOM 274 CG GLN A 17 -3.818 4.995 3.332 1.00 0.00 C ATOM 275 CD GLN A 17 -4.623 6.084 4.031 1.00 0.00 C ATOM 276 OE1 GLN A 17 -4.554 6.236 5.250 1.00 0.00 O ATOM 277 NE2 GLN A 17 -5.372 6.873 3.287 1.00 0.00 N ATOM 0 H GLN A 17 -5.209 2.575 2.366 1.00 0.00 H new ATOM 0 HA GLN A 17 -2.448 3.015 2.621 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.829 3.413 4.422 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -3.204 3.738 4.993 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -2.790 5.335 3.207 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -4.224 4.835 2.333 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -5.416 6.731 2.278 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -5.907 7.625 3.720 1.00 0.00 H new ATOM 286 N LYS A 18 -3.448 0.324 4.302 1.00 0.00 N ATOM 287 CA LYS A 18 -2.823 -0.820 4.968 1.00 0.00 C ATOM 288 C LYS A 18 -2.035 -1.627 3.941 1.00 0.00 C ATOM 289 O LYS A 18 -0.935 -2.063 4.255 1.00 0.00 O ATOM 290 CB LYS A 18 -3.805 -1.716 5.735 1.00 0.00 C ATOM 291 CG LYS A 18 -4.833 -2.507 4.909 1.00 0.00 C ATOM 292 CD LYS A 18 -6.285 -2.239 5.324 1.00 0.00 C ATOM 293 CE LYS A 18 -6.746 -3.174 6.441 1.00 0.00 C ATOM 294 NZ LYS A 18 -6.407 -2.748 7.814 1.00 0.00 N ATOM 0 H LYS A 18 -4.457 0.257 4.165 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.156 -0.418 5.730 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -3.224 -2.428 6.321 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -4.350 -1.091 6.442 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.712 -2.256 3.855 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.625 -3.572 5.008 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -6.382 -1.205 5.654 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -6.937 -2.360 4.459 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -7.828 -3.287 6.372 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -6.311 -4.159 6.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -6.764 -3.450 8.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.374 -2.669 7.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -6.844 -1.824 8.009 1.00 0.00 H new ATOM 308 N LYS A 19 -2.538 -1.768 2.708 1.00 0.00 N ATOM 309 CA LYS A 19 -1.874 -2.519 1.647 1.00 0.00 C ATOM 310 C LYS A 19 -0.463 -2.006 1.418 1.00 0.00 C ATOM 311 O LYS A 19 0.421 -2.813 1.152 1.00 0.00 O ATOM 312 CB LYS A 19 -2.697 -2.534 0.344 1.00 0.00 C ATOM 313 CG LYS A 19 -3.840 -3.547 0.473 1.00 0.00 C ATOM 314 CD LYS A 19 -4.762 -3.645 -0.749 1.00 0.00 C ATOM 315 CE LYS A 19 -5.618 -4.892 -0.519 1.00 0.00 C ATOM 316 NZ LYS A 19 -6.632 -5.082 -1.564 1.00 0.00 N ATOM 0 H LYS A 19 -3.427 -1.358 2.421 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.800 -3.555 1.978 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.098 -1.541 0.143 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.058 -2.796 -0.499 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.413 -4.531 0.667 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.442 -3.284 1.343 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.384 -2.755 -0.843 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.185 -3.730 -1.670 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.972 -5.769 -0.481 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.111 -4.816 0.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.574 -4.871 -1.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.434 -4.443 -2.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.607 -6.067 -1.897 1.00 0.00 H new ATOM 330 N ILE A 20 -0.203 -0.706 1.587 1.00 0.00 N ATOM 331 CA ILE A 20 1.146 -0.181 1.388 1.00 0.00 C ATOM 332 C ILE A 20 2.082 -0.807 2.433 1.00 0.00 C ATOM 333 O ILE A 20 3.214 -1.156 2.113 1.00 0.00 O ATOM 334 CB ILE A 20 1.194 1.359 1.421 1.00 0.00 C ATOM 335 CG1 ILE A 20 -0.005 2.067 0.755 1.00 0.00 C ATOM 336 CG2 ILE A 20 2.503 1.864 0.796 1.00 0.00 C ATOM 337 CD1 ILE A 20 -0.370 1.584 -0.656 1.00 0.00 C ATOM 0 H ILE A 20 -0.898 -0.010 1.857 1.00 0.00 H new ATOM 0 HA ILE A 20 1.483 -0.458 0.389 1.00 0.00 H new ATOM 0 HB ILE A 20 1.140 1.619 2.478 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.877 1.944 1.397 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.208 3.135 0.709 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.524 2.953 0.826 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.350 1.469 1.357 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.565 1.528 -0.239 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.225 2.150 -1.025 1.00 0.00 H new ATOM 0 HD12 ILE A 20 0.479 1.734 -1.323 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.623 0.524 -0.624 1.00 0.00 H new ATOM 349 N LYS A 21 1.615 -0.966 3.678 1.00 0.00 N ATOM 350 CA LYS A 21 2.373 -1.567 4.777 1.00 0.00 C ATOM 351 C LYS A 21 2.503 -3.072 4.565 1.00 0.00 C ATOM 352 O LYS A 21 3.453 -3.696 5.032 1.00 0.00 O ATOM 353 CB LYS A 21 1.696 -1.347 6.130 1.00 0.00 C ATOM 354 CG LYS A 21 1.289 0.117 6.343 1.00 0.00 C ATOM 355 CD LYS A 21 1.012 0.445 7.813 1.00 0.00 C ATOM 356 CE LYS A 21 -0.165 -0.362 8.361 1.00 0.00 C ATOM 357 NZ LYS A 21 -0.382 -0.104 9.799 1.00 0.00 N ATOM 0 H LYS A 21 0.678 -0.673 3.953 1.00 0.00 H new ATOM 0 HA LYS A 21 3.350 -1.084 4.782 1.00 0.00 H new ATOM 0 HB2 LYS A 21 0.813 -1.982 6.200 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.373 -1.654 6.927 1.00 0.00 H new ATOM 0 HG2 LYS A 21 2.081 0.768 5.973 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.398 0.332 5.753 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.903 0.238 8.406 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.802 1.510 7.915 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.069 -0.110 7.806 1.00 0.00 H new ATOM 0 HE3 LYS A 21 0.019 -1.425 8.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.188 -0.669 10.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.471 -0.368 10.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.582 0.906 9.944 1.00 0.00 H new ATOM 371 N GLU A 22 1.541 -3.689 3.893 1.00 0.00 N ATOM 372 CA GLU A 22 1.562 -5.116 3.627 1.00 0.00 C ATOM 373 C GLU A 22 2.605 -5.418 2.564 1.00 0.00 C ATOM 374 O GLU A 22 3.479 -6.241 2.811 1.00 0.00 O ATOM 375 CB GLU A 22 0.177 -5.595 3.187 1.00 0.00 C ATOM 376 CG GLU A 22 -0.796 -5.483 4.362 1.00 0.00 C ATOM 377 CD GLU A 22 -2.262 -5.763 4.005 1.00 0.00 C ATOM 378 OE1 GLU A 22 -3.087 -5.888 4.941 1.00 0.00 O ATOM 379 OE2 GLU A 22 -2.613 -5.787 2.800 1.00 0.00 O ATOM 0 H GLU A 22 0.723 -3.210 3.517 1.00 0.00 H new ATOM 0 HA GLU A 22 1.827 -5.651 4.539 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.178 -4.996 2.348 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.230 -6.627 2.841 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.486 -6.179 5.141 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.723 -4.480 4.783 1.00 0.00 H new ATOM 386 N ARG A 23 2.590 -4.707 1.434 1.00 0.00 N ATOM 387 CA ARG A 23 3.562 -4.935 0.367 1.00 0.00 C ATOM 388 C ARG A 23 4.973 -4.621 0.838 1.00 0.00 C ATOM 389 O ARG A 23 5.871 -5.384 0.520 1.00 0.00 O ATOM 390 CB ARG A 23 3.188 -4.190 -0.930 1.00 0.00 C ATOM 391 CG ARG A 23 3.014 -2.673 -0.796 1.00 0.00 C ATOM 392 CD ARG A 23 4.285 -1.848 -1.049 1.00 0.00 C ATOM 393 NE ARG A 23 4.772 -2.026 -2.422 1.00 0.00 N ATOM 394 CZ ARG A 23 4.138 -1.612 -3.519 1.00 0.00 C ATOM 395 NH1 ARG A 23 3.060 -0.847 -3.408 1.00 0.00 N ATOM 396 NH2 ARG A 23 4.588 -1.952 -4.716 1.00 0.00 N ATOM 0 H ARG A 23 1.914 -3.969 1.236 1.00 0.00 H new ATOM 0 HA ARG A 23 3.536 -5.996 0.118 1.00 0.00 H new ATOM 0 HB2 ARG A 23 3.960 -4.385 -1.675 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.259 -4.612 -1.315 1.00 0.00 H new ATOM 0 HG2 ARG A 23 2.243 -2.348 -1.495 1.00 0.00 H new ATOM 0 HG3 ARG A 23 2.649 -2.452 0.207 1.00 0.00 H new ATOM 0 HD2 ARG A 23 4.078 -0.793 -0.868 1.00 0.00 H new ATOM 0 HD3 ARG A 23 5.061 -2.146 -0.344 1.00 0.00 H new ATOM 0 HE ARG A 23 5.665 -2.503 -2.546 1.00 0.00 H new ATOM 0 HH11 ARG A 23 2.719 -0.577 -2.485 1.00 0.00 H new ATOM 0 HH12 ARG A 23 2.572 -0.528 -4.245 1.00 0.00 H new ATOM 0 HH21 ARG A 23 5.422 -2.533 -4.801 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.101 -1.634 -5.553 1.00 0.00 H new ATOM 410 N ILE A 24 5.190 -3.560 1.617 1.00 0.00 N ATOM 411 CA ILE A 24 6.534 -3.224 2.077 1.00 0.00 C ATOM 412 C ILE A 24 7.033 -4.249 3.102 1.00 0.00 C ATOM 413 O ILE A 24 8.163 -4.709 2.996 1.00 0.00 O ATOM 414 CB ILE A 24 6.569 -1.773 2.625 1.00 0.00 C ATOM 415 CG1 ILE A 24 7.997 -1.320 2.980 1.00 0.00 C ATOM 416 CG2 ILE A 24 5.677 -1.614 3.860 1.00 0.00 C ATOM 417 CD1 ILE A 24 8.053 -0.018 3.790 1.00 0.00 C ATOM 0 H ILE A 24 4.459 -2.926 1.939 1.00 0.00 H new ATOM 0 HA ILE A 24 7.220 -3.268 1.231 1.00 0.00 H new ATOM 0 HB ILE A 24 6.190 -1.142 1.821 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.488 -2.111 3.547 1.00 0.00 H new ATOM 0 HG13 ILE A 24 8.565 -1.188 2.059 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.727 -0.585 4.215 1.00 0.00 H new ATOM 0 HG22 ILE A 24 4.647 -1.858 3.599 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.021 -2.286 4.646 1.00 0.00 H new ATOM 0 HD11 ILE A 24 9.092 0.235 4.001 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.593 0.787 3.217 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.514 -0.150 4.728 1.00 0.00 H new ATOM 429 N GLN A 25 6.208 -4.639 4.078 1.00 0.00 N ATOM 430 CA GLN A 25 6.652 -5.565 5.110 1.00 0.00 C ATOM 431 C GLN A 25 6.752 -7.013 4.639 1.00 0.00 C ATOM 432 O GLN A 25 7.742 -7.685 4.906 1.00 0.00 O ATOM 433 CB GLN A 25 5.627 -5.473 6.251 1.00 0.00 C ATOM 434 CG GLN A 25 6.022 -6.272 7.493 1.00 0.00 C ATOM 435 CD GLN A 25 4.800 -6.475 8.383 1.00 0.00 C ATOM 436 OE1 GLN A 25 3.803 -7.056 7.950 1.00 0.00 O ATOM 437 NE2 GLN A 25 4.793 -5.966 9.600 1.00 0.00 N ATOM 0 H GLN A 25 5.241 -4.329 4.171 1.00 0.00 H new ATOM 0 HA GLN A 25 7.660 -5.284 5.416 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.497 -4.427 6.528 1.00 0.00 H new ATOM 0 HB3 GLN A 25 4.662 -5.830 5.891 1.00 0.00 H new ATOM 0 HG2 GLN A 25 6.435 -7.237 7.200 1.00 0.00 H new ATOM 0 HG3 GLN A 25 6.802 -5.745 8.043 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.619 -5.486 9.957 1.00 0.00 H new ATOM 0 HE22 GLN A 25 3.962 -6.053 10.184 1.00 0.00 H new ATOM 446 N ASN A 26 5.716 -7.505 3.962 1.00 0.00 N ATOM 447 CA ASN A 26 5.702 -8.884 3.507 1.00 0.00 C ATOM 448 C ASN A 26 6.579 -8.998 2.276 1.00 0.00 C ATOM 449 O ASN A 26 7.438 -9.869 2.220 1.00 0.00 O ATOM 450 CB ASN A 26 4.260 -9.351 3.244 1.00 0.00 C ATOM 451 CG ASN A 26 3.412 -9.319 4.504 1.00 0.00 C ATOM 452 OD1 ASN A 26 3.315 -10.286 5.252 1.00 0.00 O ATOM 453 ND2 ASN A 26 2.758 -8.204 4.766 1.00 0.00 N ATOM 0 H ASN A 26 4.883 -6.969 3.720 1.00 0.00 H new ATOM 0 HA ASN A 26 6.104 -9.541 4.278 1.00 0.00 H new ATOM 0 HB2 ASN A 26 3.806 -8.714 2.485 1.00 0.00 H new ATOM 0 HB3 ASN A 26 4.275 -10.364 2.843 1.00 0.00 H new ATOM 0 HD21 ASN A 26 2.167 -8.142 5.595 1.00 0.00 H new ATOM 0 HD22 ASN A 26 2.843 -7.404 4.140 1.00 0.00 H new ATOM 460 N SER A 27 6.362 -8.131 1.279 1.00 0.00 N ATOM 461 CA SER A 27 7.124 -8.099 0.025 1.00 0.00 C ATOM 462 C SER A 27 7.222 -9.459 -0.685 1.00 0.00 C ATOM 463 O SER A 27 8.029 -9.639 -1.597 1.00 0.00 O ATOM 464 CB SER A 27 8.484 -7.453 0.342 1.00 0.00 C ATOM 465 OG SER A 27 8.398 -6.053 0.162 1.00 0.00 O ATOM 0 H SER A 27 5.635 -7.416 1.323 1.00 0.00 H new ATOM 0 HA SER A 27 6.595 -7.498 -0.714 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.776 -7.681 1.367 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.255 -7.867 -0.308 1.00 0.00 H new ATOM 0 HG SER A 27 7.479 -5.757 0.333 1.00 0.00 H new ATOM 834 N ILE A3289 5.348 6.545 0.099 1.00 0.00 N ATOM 835 CA ILE A3289 6.644 6.730 -0.539 1.00 0.00 C ATOM 836 C ILE A3289 6.327 6.901 -2.027 1.00 0.00 C ATOM 837 O ILE A3289 6.009 5.939 -2.734 1.00 0.00 O ATOM 838 CB ILE A3289 7.655 5.607 -0.222 1.00 0.00 C ATOM 839 CG1 ILE A3289 7.707 5.305 1.292 1.00 0.00 C ATOM 840 CG2 ILE A3289 9.041 6.056 -0.718 1.00 0.00 C ATOM 841 CD1 ILE A3289 8.670 4.187 1.712 1.00 0.00 C ATOM 0 HA ILE A3289 7.165 7.605 -0.152 1.00 0.00 H new ATOM 0 HB ILE A3289 7.344 4.691 -0.725 1.00 0.00 H new ATOM 0 HG12 ILE A3289 7.988 6.218 1.817 1.00 0.00 H new ATOM 0 HG13 ILE A3289 6.704 5.041 1.626 1.00 0.00 H new ATOM 0 HG21 ILE A3289 9.774 5.278 -0.505 1.00 0.00 H new ATOM 0 HG22 ILE A3289 9.003 6.234 -1.793 1.00 0.00 H new ATOM 0 HG23 ILE A3289 9.330 6.975 -0.208 1.00 0.00 H new ATOM 0 HD11 ILE A3289 8.628 4.058 2.793 1.00 0.00 H new ATOM 0 HD12 ILE A3289 8.382 3.256 1.224 1.00 0.00 H new ATOM 0 HD13 ILE A3289 9.686 4.452 1.418 1.00 0.00 H new ATOM 853 N GLU A3290 6.307 8.142 -2.495 1.00 0.00 N ATOM 854 CA GLU A3290 6.011 8.471 -3.885 1.00 0.00 C ATOM 855 C GLU A3290 7.191 8.141 -4.821 1.00 0.00 C ATOM 856 O GLU A3290 7.055 8.182 -6.040 1.00 0.00 O ATOM 857 CB GLU A3290 5.536 9.931 -3.966 1.00 0.00 C ATOM 858 CG GLU A3290 4.828 10.196 -5.301 1.00 0.00 C ATOM 859 CD GLU A3290 3.998 11.474 -5.278 1.00 0.00 C ATOM 860 OE1 GLU A3290 2.905 11.455 -4.666 1.00 0.00 O ATOM 861 OE2 GLU A3290 4.409 12.472 -5.913 1.00 0.00 O ATOM 0 H GLU A3290 6.498 8.959 -1.914 1.00 0.00 H new ATOM 0 HA GLU A3290 5.198 7.842 -4.247 1.00 0.00 H new ATOM 0 HB2 GLU A3290 4.858 10.145 -3.140 1.00 0.00 H new ATOM 0 HB3 GLU A3290 6.388 10.603 -3.861 1.00 0.00 H new ATOM 0 HG2 GLU A3290 5.571 10.264 -6.096 1.00 0.00 H new ATOM 0 HG3 GLU A3290 4.182 9.351 -5.540 1.00 0.00 H new ATOM 868 N THR A3291 8.343 7.760 -4.276 1.00 0.00 N ATOM 869 CA THR A3291 9.551 7.419 -5.024 1.00 0.00 C ATOM 870 C THR A3291 9.999 6.012 -4.619 1.00 0.00 C ATOM 871 O THR A3291 11.101 5.814 -4.104 1.00 0.00 O ATOM 872 CB THR A3291 10.588 8.554 -4.867 1.00 0.00 C ATOM 873 OG1 THR A3291 11.800 8.248 -5.522 1.00 0.00 O ATOM 874 CG2 THR A3291 10.882 8.955 -3.417 1.00 0.00 C ATOM 0 H THR A3291 8.466 7.677 -3.267 1.00 0.00 H new ATOM 0 HA THR A3291 9.383 7.359 -6.099 1.00 0.00 H new ATOM 0 HB THR A3291 10.115 9.414 -5.341 1.00 0.00 H new ATOM 0 HG1 THR A3291 12.132 7.382 -5.207 1.00 0.00 H new ATOM 0 HG21 THR A3291 11.620 9.757 -3.404 1.00 0.00 H new ATOM 0 HG22 THR A3291 9.964 9.299 -2.941 1.00 0.00 H new ATOM 0 HG23 THR A3291 11.272 8.094 -2.873 1.00 0.00 H new ATOM 882 N PHE A3292 9.101 5.026 -4.760 1.00 0.00 N ATOM 883 CA PHE A3292 9.417 3.640 -4.415 1.00 0.00 C ATOM 884 C PHE A3292 8.397 2.676 -5.004 1.00 0.00 C ATOM 885 O PHE A3292 8.791 1.655 -5.563 1.00 0.00 O ATOM 886 CB PHE A3292 9.497 3.458 -2.890 1.00 0.00 C ATOM 887 CG PHE A3292 9.963 2.095 -2.403 1.00 0.00 C ATOM 888 CD1 PHE A3292 11.036 1.426 -3.024 1.00 0.00 C ATOM 889 CD2 PHE A3292 9.352 1.512 -1.278 1.00 0.00 C ATOM 890 CE1 PHE A3292 11.457 0.173 -2.553 1.00 0.00 C ATOM 891 CE2 PHE A3292 9.775 0.258 -0.803 1.00 0.00 C ATOM 892 CZ PHE A3292 10.823 -0.418 -1.448 1.00 0.00 C ATOM 0 H PHE A3292 8.153 5.166 -5.110 1.00 0.00 H new ATOM 0 HA PHE A3292 10.392 3.411 -4.846 1.00 0.00 H new ATOM 0 HB2 PHE A3292 10.171 4.215 -2.489 1.00 0.00 H new ATOM 0 HB3 PHE A3292 8.511 3.654 -2.469 1.00 0.00 H new ATOM 0 HD1 PHE A3292 11.537 1.880 -3.866 1.00 0.00 H new ATOM 0 HD2 PHE A3292 8.551 2.032 -0.775 1.00 0.00 H new ATOM 0 HE1 PHE A3292 12.272 -0.339 -3.042 1.00 0.00 H new ATOM 0 HE2 PHE A3292 9.294 -0.185 0.057 1.00 0.00 H new ATOM 0 HZ PHE A3292 11.140 -1.388 -1.096 1.00 0.00 H new ATOM 902 N PHE A3293 7.104 3.007 -4.917 1.00 0.00 N ATOM 903 CA PHE A3293 6.033 2.163 -5.440 1.00 0.00 C ATOM 904 C PHE A3293 4.888 2.967 -6.070 1.00 0.00 C ATOM 905 O PHE A3293 3.825 2.405 -6.320 1.00 0.00 O ATOM 906 CB PHE A3293 5.529 1.229 -4.324 1.00 0.00 C ATOM 907 CG PHE A3293 5.434 1.813 -2.923 1.00 0.00 C ATOM 908 CD1 PHE A3293 6.014 1.147 -1.826 1.00 0.00 C ATOM 909 CD2 PHE A3293 4.775 3.036 -2.712 1.00 0.00 C ATOM 910 CE1 PHE A3293 5.946 1.706 -0.538 1.00 0.00 C ATOM 911 CE2 PHE A3293 4.723 3.599 -1.432 1.00 0.00 C ATOM 912 CZ PHE A3293 5.313 2.944 -0.340 1.00 0.00 C ATOM 0 H PHE A3293 6.774 3.868 -4.481 1.00 0.00 H new ATOM 0 HA PHE A3293 6.444 1.564 -6.253 1.00 0.00 H new ATOM 0 HB2 PHE A3293 4.541 0.866 -4.607 1.00 0.00 H new ATOM 0 HB3 PHE A3293 6.188 0.362 -4.285 1.00 0.00 H new ATOM 0 HD1 PHE A3293 6.514 0.201 -1.975 1.00 0.00 H new ATOM 0 HD2 PHE A3293 4.306 3.544 -3.542 1.00 0.00 H new ATOM 0 HE1 PHE A3293 6.381 1.183 0.301 1.00 0.00 H new ATOM 0 HE2 PHE A3293 4.225 4.546 -1.283 1.00 0.00 H new ATOM 0 HZ PHE A3293 5.281 3.388 0.644 1.00 0.00 H new ATOM 922 N ALA A3294 5.052 4.271 -6.319 1.00 0.00 N ATOM 923 CA ALA A3294 4.000 5.113 -6.891 1.00 0.00 C ATOM 924 C ALA A3294 3.361 4.546 -8.163 1.00 0.00 C ATOM 925 O ALA A3294 2.198 4.843 -8.441 1.00 0.00 O ATOM 926 CB ALA A3294 4.556 6.510 -7.160 1.00 0.00 C ATOM 0 H ALA A3294 5.920 4.771 -6.129 1.00 0.00 H new ATOM 0 HA ALA A3294 3.200 5.150 -6.151 1.00 0.00 H new ATOM 0 HB1 ALA A3294 3.773 7.137 -7.586 1.00 0.00 H new ATOM 0 HB2 ALA A3294 4.904 6.949 -6.225 1.00 0.00 H new ATOM 0 HB3 ALA A3294 5.388 6.442 -7.861 1.00 0.00 H new ATOM 932 N GLN A3295 4.126 3.821 -8.979 1.00 0.00 N ATOM 933 CA GLN A3295 3.594 3.229 -10.209 1.00 0.00 C ATOM 934 C GLN A3295 2.774 1.969 -9.924 1.00 0.00 C ATOM 935 O GLN A3295 1.859 1.642 -10.668 1.00 0.00 O ATOM 936 CB GLN A3295 4.712 2.902 -11.190 1.00 0.00 C ATOM 937 CG GLN A3295 5.688 4.056 -11.454 1.00 0.00 C ATOM 938 CD GLN A3295 5.005 5.221 -12.156 1.00 0.00 C ATOM 939 OE1 GLN A3295 5.011 5.310 -13.382 1.00 0.00 O ATOM 940 NE2 GLN A3295 4.454 6.172 -11.417 1.00 0.00 N ATOM 0 H GLN A3295 5.114 3.629 -8.812 1.00 0.00 H new ATOM 0 HA GLN A3295 2.935 3.973 -10.657 1.00 0.00 H new ATOM 0 HB2 GLN A3295 5.273 2.049 -10.809 1.00 0.00 H new ATOM 0 HB3 GLN A3295 4.268 2.595 -12.137 1.00 0.00 H new ATOM 0 HG2 GLN A3295 6.111 4.398 -10.510 1.00 0.00 H new ATOM 0 HG3 GLN A3295 6.517 3.699 -12.064 1.00 0.00 H new ATOM 0 HE21 GLN A3295 4.453 6.091 -10.400 1.00 0.00 H new ATOM 0 HE22 GLN A3295 4.031 6.985 -11.865 1.00 0.00 H new ATOM 949 N ASP A3296 3.129 1.223 -8.878 1.00 0.00 N ATOM 950 CA ASP A3296 2.404 0.010 -8.495 1.00 0.00 C ATOM 951 C ASP A3296 1.130 0.414 -7.738 1.00 0.00 C ATOM 952 O ASP A3296 0.136 -0.320 -7.732 1.00 0.00 O ATOM 953 CB ASP A3296 3.265 -0.904 -7.598 1.00 0.00 C ATOM 954 CG ASP A3296 4.315 -1.761 -8.305 1.00 0.00 C ATOM 955 OD1 ASP A3296 4.066 -2.220 -9.441 1.00 0.00 O ATOM 956 OD2 ASP A3296 5.352 -2.062 -7.663 1.00 0.00 O ATOM 0 H ASP A3296 3.922 1.440 -8.275 1.00 0.00 H new ATOM 0 HA ASP A3296 2.155 -0.546 -9.399 1.00 0.00 H new ATOM 0 HB2 ASP A3296 3.773 -0.280 -6.863 1.00 0.00 H new ATOM 0 HB3 ASP A3296 2.598 -1.567 -7.047 1.00 0.00 H new ATOM 961 N ILE A3297 1.156 1.585 -7.094 1.00 0.00 N ATOM 962 CA ILE A3297 0.081 2.173 -6.306 1.00 0.00 C ATOM 963 C ILE A3297 -1.173 2.327 -7.155 1.00 0.00 C ATOM 964 O ILE A3297 -2.263 1.954 -6.721 1.00 0.00 O ATOM 965 CB ILE A3297 0.573 3.506 -5.670 1.00 0.00 C ATOM 966 CG1 ILE A3297 0.728 3.411 -4.140 1.00 0.00 C ATOM 967 CG2 ILE A3297 -0.278 4.753 -5.975 1.00 0.00 C ATOM 968 CD1 ILE A3297 1.629 2.273 -3.656 1.00 0.00 C ATOM 0 H ILE A3297 1.983 2.181 -7.114 1.00 0.00 H new ATOM 0 HA ILE A3297 -0.193 1.513 -5.483 1.00 0.00 H new ATOM 0 HB ILE A3297 1.539 3.642 -6.156 1.00 0.00 H new ATOM 0 HG12 ILE A3297 1.128 4.355 -3.770 1.00 0.00 H new ATOM 0 HG13 ILE A3297 -0.260 3.288 -3.696 1.00 0.00 H new ATOM 0 HG21 ILE A3297 0.159 5.621 -5.481 1.00 0.00 H new ATOM 0 HG22 ILE A3297 -0.303 4.922 -7.051 1.00 0.00 H new ATOM 0 HG23 ILE A3297 -1.293 4.599 -5.609 1.00 0.00 H new ATOM 0 HD11 ILE A3297 1.678 2.285 -2.567 1.00 0.00 H new ATOM 0 HD12 ILE A3297 1.221 1.319 -3.990 1.00 0.00 H new ATOM 0 HD13 ILE A3297 2.631 2.403 -4.066 1.00 0.00 H new ATOM 980 N GLU A3298 -1.027 2.854 -8.371 1.00 0.00 N ATOM 981 CA GLU A3298 -2.153 3.075 -9.261 1.00 0.00 C ATOM 982 C GLU A3298 -2.818 1.747 -9.631 1.00 0.00 C ATOM 983 O GLU A3298 -4.022 1.721 -9.873 1.00 0.00 O ATOM 984 CB GLU A3298 -1.737 3.912 -10.484 1.00 0.00 C ATOM 985 CG GLU A3298 -0.550 3.337 -11.264 1.00 0.00 C ATOM 986 CD GLU A3298 -0.678 3.548 -12.771 1.00 0.00 C ATOM 987 OE1 GLU A3298 -0.040 4.455 -13.345 1.00 0.00 O ATOM 988 OE2 GLU A3298 -1.420 2.777 -13.429 1.00 0.00 O ATOM 0 H GLU A3298 -0.127 3.136 -8.760 1.00 0.00 H new ATOM 0 HA GLU A3298 -2.908 3.663 -8.738 1.00 0.00 H new ATOM 0 HB2 GLU A3298 -2.590 4.001 -11.156 1.00 0.00 H new ATOM 0 HB3 GLU A3298 -1.486 4.919 -10.152 1.00 0.00 H new ATOM 0 HG2 GLU A3298 0.371 3.803 -10.913 1.00 0.00 H new ATOM 0 HG3 GLU A3298 -0.466 2.270 -11.056 1.00 0.00 H new ATOM 995 N SER A3299 -2.050 0.657 -9.671 1.00 0.00 N ATOM 996 CA SER A3299 -2.515 -0.681 -9.999 1.00 0.00 C ATOM 997 C SER A3299 -3.246 -1.324 -8.821 1.00 0.00 C ATOM 998 O SER A3299 -4.361 -1.826 -8.978 1.00 0.00 O ATOM 999 CB SER A3299 -1.323 -1.544 -10.435 1.00 0.00 C ATOM 1000 OG SER A3299 -1.698 -2.384 -11.509 1.00 0.00 O ATOM 0 H SER A3299 -1.051 0.689 -9.467 1.00 0.00 H new ATOM 0 HA SER A3299 -3.228 -0.609 -10.820 1.00 0.00 H new ATOM 0 HB2 SER A3299 -0.492 -0.905 -10.736 1.00 0.00 H new ATOM 0 HB3 SER A3299 -0.974 -2.147 -9.596 1.00 0.00 H new ATOM 0 HG SER A3299 -0.931 -2.929 -11.781 1.00 0.00 H new ATOM 1006 N VAL A3300 -2.651 -1.279 -7.624 1.00 0.00 N ATOM 1007 CA VAL A3300 -3.274 -1.887 -6.451 1.00 0.00 C ATOM 1008 C VAL A3300 -4.530 -1.106 -6.075 1.00 0.00 C ATOM 1009 O VAL A3300 -5.548 -1.676 -5.695 1.00 0.00 O ATOM 1010 CB VAL A3300 -2.260 -2.046 -5.298 1.00 0.00 C ATOM 1011 CG1 VAL A3300 -1.982 -0.746 -4.531 1.00 0.00 C ATOM 1012 CG2 VAL A3300 -2.729 -3.118 -4.312 1.00 0.00 C ATOM 0 H VAL A3300 -1.751 -0.833 -7.446 1.00 0.00 H new ATOM 0 HA VAL A3300 -3.594 -2.902 -6.685 1.00 0.00 H new ATOM 0 HB VAL A3300 -1.325 -2.344 -5.773 1.00 0.00 H new ATOM 0 HG11 VAL A3300 -1.260 -0.939 -3.737 1.00 0.00 H new ATOM 0 HG12 VAL A3300 -1.578 0.001 -5.215 1.00 0.00 H new ATOM 0 HG13 VAL A3300 -2.910 -0.375 -4.095 1.00 0.00 H new ATOM 0 HG21 VAL A3300 -2.001 -3.215 -3.507 1.00 0.00 H new ATOM 0 HG22 VAL A3300 -3.695 -2.832 -3.895 1.00 0.00 H new ATOM 0 HG23 VAL A3300 -2.826 -4.072 -4.831 1.00 0.00 H new ATOM 1022 N GLN A3301 -4.510 0.220 -6.179 1.00 0.00 N ATOM 1023 CA GLN A3301 -5.679 1.013 -5.846 1.00 0.00 C ATOM 1024 C GLN A3301 -6.780 0.769 -6.877 1.00 0.00 C ATOM 1025 O GLN A3301 -7.951 0.871 -6.513 1.00 0.00 O ATOM 1026 CB GLN A3301 -5.305 2.481 -5.651 1.00 0.00 C ATOM 1027 CG GLN A3301 -5.015 3.251 -6.933 1.00 0.00 C ATOM 1028 CD GLN A3301 -6.143 4.164 -7.403 1.00 0.00 C ATOM 1029 OE1 GLN A3301 -7.391 3.727 -7.436 1.00 0.00 O flip ATOM 1030 NE2 GLN A3301 -5.869 5.285 -7.810 1.00 0.00 N flip ATOM 0 H GLN A3301 -3.702 0.760 -6.489 1.00 0.00 H new ATOM 0 HA GLN A3301 -6.087 0.698 -4.886 1.00 0.00 H new ATOM 0 HB2 GLN A3301 -6.118 2.979 -5.122 1.00 0.00 H new ATOM 0 HB3 GLN A3301 -4.427 2.533 -5.008 1.00 0.00 H new ATOM 0 HG2 GLN A3301 -4.119 3.853 -6.783 1.00 0.00 H new ATOM 0 HG3 GLN A3301 -4.791 2.537 -7.726 1.00 0.00 H new ATOM 0 HE21 GLN A3301 -4.905 5.616 -7.782 1.00 0.00 H new ATOM 0 HE22 GLN A3301 -6.605 5.888 -8.177 1.00 0.00 H new ATOM 1039 N LYS A3302 -6.445 0.482 -8.143 1.00 0.00 N ATOM 1040 CA LYS A3302 -7.420 0.209 -9.202 1.00 0.00 C ATOM 1041 C LYS A3302 -8.314 -0.960 -8.811 1.00 0.00 C ATOM 1042 O LYS A3302 -9.448 -1.052 -9.282 1.00 0.00 O ATOM 1043 CB LYS A3302 -6.729 -0.070 -10.551 1.00 0.00 C ATOM 1044 CG LYS A3302 -6.662 1.178 -11.440 1.00 0.00 C ATOM 1045 CD LYS A3302 -5.689 1.011 -12.614 1.00 0.00 C ATOM 1046 CE LYS A3302 -6.127 -0.088 -13.588 1.00 0.00 C ATOM 1047 NZ LYS A3302 -5.093 -0.346 -14.609 1.00 0.00 N ATOM 0 H LYS A3302 -5.477 0.433 -8.461 1.00 0.00 H new ATOM 0 HA LYS A3302 -8.036 1.100 -9.324 1.00 0.00 H new ATOM 0 HB2 LYS A3302 -5.719 -0.439 -10.370 1.00 0.00 H new ATOM 0 HB3 LYS A3302 -7.267 -0.859 -11.076 1.00 0.00 H new ATOM 0 HG2 LYS A3302 -7.657 1.399 -11.826 1.00 0.00 H new ATOM 0 HG3 LYS A3302 -6.356 2.033 -10.838 1.00 0.00 H new ATOM 0 HD2 LYS A3302 -5.607 1.956 -13.151 1.00 0.00 H new ATOM 0 HD3 LYS A3302 -4.697 0.776 -12.229 1.00 0.00 H new ATOM 0 HE2 LYS A3302 -6.332 -1.005 -13.036 1.00 0.00 H new ATOM 0 HE3 LYS A3302 -7.057 0.205 -14.076 1.00 0.00 H new ATOM 0 HZ1 LYS A3302 -5.420 -1.095 -15.253 1.00 0.00 H new ATOM 0 HZ2 LYS A3302 -4.916 0.524 -15.151 1.00 0.00 H new ATOM 0 HZ3 LYS A3302 -4.214 -0.649 -14.144 1.00 0.00 H new ATOM 1061 N GLU A3303 -7.815 -1.885 -7.988 1.00 0.00 N ATOM 1062 CA GLU A3303 -8.613 -3.031 -7.578 1.00 0.00 C ATOM 1063 C GLU A3303 -9.709 -2.595 -6.600 1.00 0.00 C ATOM 1064 O GLU A3303 -10.835 -3.062 -6.696 1.00 0.00 O ATOM 1065 CB GLU A3303 -7.708 -4.178 -7.112 1.00 0.00 C ATOM 1066 CG GLU A3303 -7.327 -4.130 -5.635 1.00 0.00 C ATOM 1067 CD GLU A3303 -5.936 -4.685 -5.295 1.00 0.00 C ATOM 1068 OE1 GLU A3303 -5.105 -4.936 -6.198 1.00 0.00 O ATOM 1069 OE2 GLU A3303 -5.663 -4.849 -4.082 1.00 0.00 O ATOM 0 H GLU A3303 -6.873 -1.860 -7.599 1.00 0.00 H new ATOM 0 HA GLU A3303 -9.156 -3.447 -8.426 1.00 0.00 H new ATOM 0 HB2 GLU A3303 -8.211 -5.124 -7.313 1.00 0.00 H new ATOM 0 HB3 GLU A3303 -6.796 -4.169 -7.709 1.00 0.00 H new ATOM 0 HG2 GLU A3303 -7.379 -3.095 -5.297 1.00 0.00 H new ATOM 0 HG3 GLU A3303 -8.071 -4.688 -5.067 1.00 0.00 H new ATOM 1076 N LEU A3304 -9.415 -1.672 -5.684 1.00 0.00 N ATOM 1077 CA LEU A3304 -10.343 -1.173 -4.679 1.00 0.00 C ATOM 1078 C LEU A3304 -11.334 -0.101 -5.097 1.00 0.00 C ATOM 1079 O LEU A3304 -12.432 -0.061 -4.558 1.00 0.00 O ATOM 1080 CB LEU A3304 -9.517 -0.587 -3.532 1.00 0.00 C ATOM 1081 CG LEU A3304 -8.619 -1.604 -2.815 1.00 0.00 C ATOM 1082 CD1 LEU A3304 -8.220 -1.001 -1.480 1.00 0.00 C ATOM 1083 CD2 LEU A3304 -9.318 -2.937 -2.563 1.00 0.00 C ATOM 0 H LEU A3304 -8.493 -1.239 -5.622 1.00 0.00 H new ATOM 0 HA LEU A3304 -10.953 -2.041 -4.428 1.00 0.00 H new ATOM 0 HB2 LEU A3304 -8.894 0.218 -3.923 1.00 0.00 H new ATOM 0 HB3 LEU A3304 -10.194 -0.141 -2.803 1.00 0.00 H new ATOM 0 HG LEU A3304 -7.758 -1.810 -3.452 1.00 0.00 H new ATOM 0 HD11 LEU A3304 -7.579 -1.700 -0.942 1.00 0.00 H new ATOM 0 HD12 LEU A3304 -7.680 -0.069 -1.648 1.00 0.00 H new ATOM 0 HD13 LEU A3304 -9.114 -0.801 -0.890 1.00 0.00 H new ATOM 0 HD21 LEU A3304 -8.634 -3.616 -2.053 1.00 0.00 H new ATOM 0 HD22 LEU A3304 -10.198 -2.774 -1.941 1.00 0.00 H new ATOM 0 HD23 LEU A3304 -9.622 -3.374 -3.514 1.00 0.00 H new ATOM 1095 N GLU A3305 -10.973 0.808 -5.992 1.00 0.00 N ATOM 1096 CA GLU A3305 -11.895 1.881 -6.384 1.00 0.00 C ATOM 1097 C GLU A3305 -13.189 1.368 -7.015 1.00 0.00 C ATOM 1098 O GLU A3305 -14.200 2.067 -6.977 1.00 0.00 O ATOM 1099 CB GLU A3305 -11.195 2.914 -7.271 1.00 0.00 C ATOM 1100 CG GLU A3305 -10.490 2.275 -8.472 1.00 0.00 C ATOM 1101 CD GLU A3305 -9.776 3.308 -9.355 1.00 0.00 C ATOM 1102 OE1 GLU A3305 -9.179 2.933 -10.382 1.00 0.00 O ATOM 1103 OE2 GLU A3305 -9.663 4.494 -8.961 1.00 0.00 O ATOM 0 H GLU A3305 -10.066 0.831 -6.457 1.00 0.00 H new ATOM 0 HA GLU A3305 -12.198 2.379 -5.463 1.00 0.00 H new ATOM 0 HB2 GLU A3305 -11.928 3.638 -7.627 1.00 0.00 H new ATOM 0 HB3 GLU A3305 -10.466 3.464 -6.676 1.00 0.00 H new ATOM 0 HG2 GLU A3305 -9.765 1.543 -8.116 1.00 0.00 H new ATOM 0 HG3 GLU A3305 -11.221 1.733 -9.072 1.00 0.00 H new ATOM 1110 N ASN A3306 -13.184 0.144 -7.549 1.00 0.00 N ATOM 1111 CA ASN A3306 -14.357 -0.463 -8.170 1.00 0.00 C ATOM 1112 C ASN A3306 -15.094 -1.388 -7.183 1.00 0.00 C ATOM 1113 O ASN A3306 -16.111 -1.987 -7.550 1.00 0.00 O ATOM 1114 CB ASN A3306 -13.977 -1.133 -9.503 1.00 0.00 C ATOM 1115 CG ASN A3306 -13.269 -2.455 -9.339 1.00 0.00 C ATOM 1116 OD1 ASN A3306 -13.861 -3.528 -9.438 1.00 0.00 O ATOM 1117 ND2 ASN A3306 -11.966 -2.426 -9.170 1.00 0.00 N ATOM 0 H ASN A3306 -12.359 -0.455 -7.561 1.00 0.00 H new ATOM 0 HA ASN A3306 -15.076 0.316 -8.422 1.00 0.00 H new ATOM 0 HB2 ASN A3306 -14.881 -1.286 -10.093 1.00 0.00 H new ATOM 0 HB3 ASN A3306 -13.337 -0.457 -10.070 1.00 0.00 H new ATOM 0 HD21 ASN A3306 -11.439 -3.298 -9.120 1.00 0.00 H new ATOM 0 HD22 ASN A3306 -11.482 -1.532 -9.089 1.00 0.00 H new ATOM 1124 N LEU A3307 -14.581 -1.542 -5.953 1.00 0.00 N ATOM 1125 CA LEU A3307 -15.182 -2.370 -4.906 1.00 0.00 C ATOM 1126 C LEU A3307 -16.244 -1.576 -4.137 1.00 0.00 C ATOM 1127 O LEU A3307 -16.258 -0.346 -4.192 1.00 0.00 O ATOM 1128 CB LEU A3307 -14.110 -2.941 -3.962 1.00 0.00 C ATOM 1129 CG LEU A3307 -13.811 -4.454 -4.016 1.00 0.00 C ATOM 1130 CD1 LEU A3307 -14.846 -5.319 -4.728 1.00 0.00 C ATOM 1131 CD2 LEU A3307 -12.487 -4.775 -4.685 1.00 0.00 C ATOM 0 H LEU A3307 -13.719 -1.084 -5.656 1.00 0.00 H new ATOM 0 HA LEU A3307 -15.675 -3.218 -5.382 1.00 0.00 H new ATOM 0 HB2 LEU A3307 -13.178 -2.412 -4.160 1.00 0.00 H new ATOM 0 HB3 LEU A3307 -14.404 -2.697 -2.941 1.00 0.00 H new ATOM 0 HG LEU A3307 -13.811 -4.700 -2.954 1.00 0.00 H new ATOM 0 HD11 LEU A3307 -14.529 -6.361 -4.702 1.00 0.00 H new ATOM 0 HD12 LEU A3307 -15.809 -5.220 -4.227 1.00 0.00 H new ATOM 0 HD13 LEU A3307 -14.941 -4.994 -5.764 1.00 0.00 H new ATOM 0 HD21 LEU A3307 -12.335 -5.854 -4.692 1.00 0.00 H new ATOM 0 HD22 LEU A3307 -12.498 -4.404 -5.710 1.00 0.00 H new ATOM 0 HD23 LEU A3307 -11.676 -4.298 -4.135 1.00 0.00 H new ATOM 1143 N SER A3308 -17.149 -2.297 -3.470 1.00 0.00 N ATOM 1144 CA SER A3308 -18.269 -1.808 -2.665 1.00 0.00 C ATOM 1145 C SER A3308 -17.838 -1.490 -1.226 1.00 0.00 C ATOM 1146 O SER A3308 -16.749 -1.893 -0.826 1.00 0.00 O ATOM 1147 CB SER A3308 -19.325 -2.917 -2.681 1.00 0.00 C ATOM 1148 OG SER A3308 -19.601 -3.278 -4.026 1.00 0.00 O ATOM 0 H SER A3308 -17.114 -3.316 -3.480 1.00 0.00 H new ATOM 0 HA SER A3308 -18.659 -0.877 -3.077 1.00 0.00 H new ATOM 0 HB2 SER A3308 -18.968 -3.784 -2.125 1.00 0.00 H new ATOM 0 HB3 SER A3308 -20.236 -2.576 -2.189 1.00 0.00 H new ATOM 0 HG SER A3308 -20.275 -3.989 -4.042 1.00 0.00 H new ATOM 1154 N GLU A3309 -18.661 -0.813 -0.407 1.00 0.00 N ATOM 1155 CA GLU A3309 -18.275 -0.493 0.967 1.00 0.00 C ATOM 1156 C GLU A3309 -18.066 -1.786 1.710 1.00 0.00 C ATOM 1157 O GLU A3309 -16.981 -2.000 2.196 1.00 0.00 O ATOM 1158 CB GLU A3309 -19.312 0.345 1.754 1.00 0.00 C ATOM 1159 CG GLU A3309 -19.028 1.851 1.760 1.00 0.00 C ATOM 1160 CD GLU A3309 -19.281 2.588 3.091 1.00 0.00 C ATOM 1161 OE1 GLU A3309 -18.742 2.187 4.144 1.00 0.00 O ATOM 1162 OE2 GLU A3309 -19.895 3.682 3.069 1.00 0.00 O ATOM 0 H GLU A3309 -19.588 -0.482 -0.674 1.00 0.00 H new ATOM 0 HA GLU A3309 -17.373 0.115 0.896 1.00 0.00 H new ATOM 0 HB2 GLU A3309 -20.300 0.175 1.326 1.00 0.00 H new ATOM 0 HB3 GLU A3309 -19.344 -0.011 2.784 1.00 0.00 H new ATOM 0 HG2 GLU A3309 -17.987 2.004 1.477 1.00 0.00 H new ATOM 0 HG3 GLU A3309 -19.640 2.318 0.988 1.00 0.00 H new ATOM 1169 N GLU A3310 -19.003 -2.716 1.664 1.00 0.00 N ATOM 1170 CA GLU A3310 -18.924 -3.989 2.370 1.00 0.00 C ATOM 1171 C GLU A3310 -17.616 -4.738 2.076 1.00 0.00 C ATOM 1172 O GLU A3310 -17.280 -5.679 2.786 1.00 0.00 O ATOM 1173 CB GLU A3310 -20.189 -4.812 2.096 1.00 0.00 C ATOM 1174 CG GLU A3310 -21.497 -3.995 2.137 1.00 0.00 C ATOM 1175 CD GLU A3310 -21.874 -3.372 3.495 1.00 0.00 C ATOM 1176 OE1 GLU A3310 -21.010 -2.926 4.287 1.00 0.00 O ATOM 1177 OE2 GLU A3310 -23.081 -3.114 3.689 1.00 0.00 O ATOM 0 H GLU A3310 -19.861 -2.608 1.123 1.00 0.00 H new ATOM 0 HA GLU A3310 -18.890 -3.799 3.443 1.00 0.00 H new ATOM 0 HB2 GLU A3310 -20.098 -5.282 1.117 1.00 0.00 H new ATOM 0 HB3 GLU A3310 -20.252 -5.615 2.830 1.00 0.00 H new ATOM 0 HG2 GLU A3310 -21.422 -3.193 1.402 1.00 0.00 H new ATOM 0 HG3 GLU A3310 -22.314 -4.643 1.820 1.00 0.00 H new ATOM 1184 N GLU A3311 -17.006 -4.513 0.911 1.00 0.00 N ATOM 1185 CA GLU A3311 -15.747 -5.133 0.552 1.00 0.00 C ATOM 1186 C GLU A3311 -14.584 -4.390 1.231 1.00 0.00 C ATOM 1187 O GLU A3311 -13.721 -5.007 1.851 1.00 0.00 O ATOM 1188 CB GLU A3311 -15.608 -5.052 -0.969 1.00 0.00 C ATOM 1189 CG GLU A3311 -16.718 -5.796 -1.730 1.00 0.00 C ATOM 1190 CD GLU A3311 -16.331 -7.171 -2.280 1.00 0.00 C ATOM 1191 OE1 GLU A3311 -15.319 -7.785 -1.868 1.00 0.00 O ATOM 1192 OE2 GLU A3311 -17.062 -7.659 -3.166 1.00 0.00 O ATOM 0 H GLU A3311 -17.380 -3.892 0.193 1.00 0.00 H new ATOM 0 HA GLU A3311 -15.723 -6.172 0.881 1.00 0.00 H new ATOM 0 HB2 GLU A3311 -15.612 -4.004 -1.270 1.00 0.00 H new ATOM 0 HB3 GLU A3311 -14.641 -5.464 -1.259 1.00 0.00 H new ATOM 0 HG2 GLU A3311 -17.572 -5.917 -1.064 1.00 0.00 H new ATOM 0 HG3 GLU A3311 -17.047 -5.171 -2.560 1.00 0.00 H new ATOM 1199 N LEU A3312 -14.534 -3.061 1.068 1.00 0.00 N ATOM 1200 CA LEU A3312 -13.511 -2.148 1.588 1.00 0.00 C ATOM 1201 C LEU A3312 -13.631 -1.821 3.072 1.00 0.00 C ATOM 1202 O LEU A3312 -12.692 -1.989 3.847 1.00 0.00 O ATOM 1203 CB LEU A3312 -13.541 -0.811 0.822 1.00 0.00 C ATOM 1204 CG LEU A3312 -13.708 -0.930 -0.705 1.00 0.00 C ATOM 1205 CD1 LEU A3312 -14.418 0.302 -1.249 1.00 0.00 C ATOM 1206 CD2 LEU A3312 -12.369 -1.233 -1.353 1.00 0.00 C ATOM 0 H LEU A3312 -15.251 -2.566 0.537 1.00 0.00 H new ATOM 0 HA LEU A3312 -12.575 -2.688 1.445 1.00 0.00 H new ATOM 0 HB2 LEU A3312 -14.358 -0.205 1.214 1.00 0.00 H new ATOM 0 HB3 LEU A3312 -12.616 -0.272 1.029 1.00 0.00 H new ATOM 0 HG LEU A3312 -14.351 -1.773 -0.959 1.00 0.00 H new ATOM 0 HD11 LEU A3312 -14.532 0.209 -2.329 1.00 0.00 H new ATOM 0 HD12 LEU A3312 -15.401 0.389 -0.787 1.00 0.00 H new ATOM 0 HD13 LEU A3312 -13.830 1.191 -1.021 1.00 0.00 H new ATOM 0 HD21 LEU A3312 -12.497 -1.315 -2.432 1.00 0.00 H new ATOM 0 HD22 LEU A3312 -11.667 -0.429 -1.131 1.00 0.00 H new ATOM 0 HD23 LEU A3312 -11.980 -2.173 -0.961 1.00 0.00 H new ATOM 1218 N LEU A3313 -14.808 -1.347 3.466 1.00 0.00 N ATOM 1219 CA LEU A3313 -15.203 -0.962 4.803 1.00 0.00 C ATOM 1220 C LEU A3313 -14.921 -2.155 5.702 1.00 0.00 C ATOM 1221 O LEU A3313 -14.381 -1.986 6.792 1.00 0.00 O ATOM 1222 CB LEU A3313 -16.692 -0.547 4.791 1.00 0.00 C ATOM 1223 CG LEU A3313 -17.354 -0.228 6.150 1.00 0.00 C ATOM 1224 CD1 LEU A3313 -17.780 -1.471 6.940 1.00 0.00 C ATOM 1225 CD2 LEU A3313 -16.540 0.675 7.078 1.00 0.00 C ATOM 0 H LEU A3313 -15.568 -1.214 2.799 1.00 0.00 H new ATOM 0 HA LEU A3313 -14.648 -0.102 5.178 1.00 0.00 H new ATOM 0 HB2 LEU A3313 -16.791 0.332 4.154 1.00 0.00 H new ATOM 0 HB3 LEU A3313 -17.261 -1.348 4.319 1.00 0.00 H new ATOM 0 HG LEU A3313 -18.239 0.325 5.836 1.00 0.00 H new ATOM 0 HD11 LEU A3313 -18.236 -1.165 7.882 1.00 0.00 H new ATOM 0 HD12 LEU A3313 -18.501 -2.043 6.357 1.00 0.00 H new ATOM 0 HD13 LEU A3313 -16.906 -2.089 7.144 1.00 0.00 H new ATOM 0 HD21 LEU A3313 -17.092 0.838 8.004 1.00 0.00 H new ATOM 0 HD22 LEU A3313 -15.586 0.199 7.303 1.00 0.00 H new ATOM 0 HD23 LEU A3313 -16.361 1.633 6.589 1.00 0.00 H new ATOM 1237 N ALA A3314 -15.201 -3.372 5.226 1.00 0.00 N ATOM 1238 CA ALA A3314 -14.969 -4.550 6.041 1.00 0.00 C ATOM 1239 C ALA A3314 -13.482 -4.791 6.325 1.00 0.00 C ATOM 1240 O ALA A3314 -13.135 -5.382 7.345 1.00 0.00 O ATOM 1241 CB ALA A3314 -15.593 -5.754 5.346 1.00 0.00 C ATOM 0 H ALA A3314 -15.581 -3.558 4.298 1.00 0.00 H new ATOM 0 HA ALA A3314 -15.437 -4.392 7.013 1.00 0.00 H new ATOM 0 HB1 ALA A3314 -15.427 -6.648 5.947 1.00 0.00 H new ATOM 0 HB2 ALA A3314 -16.664 -5.591 5.227 1.00 0.00 H new ATOM 0 HB3 ALA A3314 -15.135 -5.886 4.366 1.00 0.00 H new ATOM 1247 N MET A3315 -12.581 -4.334 5.455 1.00 0.00 N ATOM 1248 CA MET A3315 -11.136 -4.517 5.606 1.00 0.00 C ATOM 1249 C MET A3315 -10.594 -3.574 6.667 1.00 0.00 C ATOM 1250 O MET A3315 -9.904 -3.984 7.599 1.00 0.00 O ATOM 1251 CB MET A3315 -10.404 -4.254 4.284 1.00 0.00 C ATOM 1252 CG MET A3315 -10.997 -5.028 3.113 1.00 0.00 C ATOM 1253 SD MET A3315 -9.958 -6.369 2.468 1.00 0.00 S ATOM 1254 CE MET A3315 -10.163 -7.607 3.781 1.00 0.00 C ATOM 0 H MET A3315 -12.838 -3.819 4.613 1.00 0.00 H new ATOM 0 HA MET A3315 -10.964 -5.550 5.907 1.00 0.00 H new ATOM 0 HB2 MET A3315 -10.438 -3.187 4.062 1.00 0.00 H new ATOM 0 HB3 MET A3315 -9.354 -4.523 4.396 1.00 0.00 H new ATOM 0 HG2 MET A3315 -11.954 -5.448 3.423 1.00 0.00 H new ATOM 0 HG3 MET A3315 -11.204 -4.328 2.303 1.00 0.00 H new ATOM 0 HE1 MET A3315 -9.599 -8.504 3.527 1.00 0.00 H new ATOM 0 HE2 MET A3315 -9.795 -7.202 4.724 1.00 0.00 H new ATOM 0 HE3 MET A3315 -11.219 -7.859 3.882 1.00 0.00 H new ATOM 1264 N LEU A3316 -10.854 -2.279 6.486 1.00 0.00 N ATOM 1265 CA LEU A3316 -10.418 -1.232 7.399 1.00 0.00 C ATOM 1266 C LEU A3316 -11.067 -1.396 8.769 1.00 0.00 C ATOM 1267 O LEU A3316 -10.378 -1.225 9.779 1.00 0.00 O ATOM 1268 CB LEU A3316 -10.659 0.159 6.787 1.00 0.00 C ATOM 1269 CG LEU A3316 -12.101 0.429 6.306 1.00 0.00 C ATOM 1270 CD1 LEU A3316 -12.956 1.140 7.369 1.00 0.00 C ATOM 1271 CD2 LEU A3316 -12.109 1.344 5.080 1.00 0.00 C ATOM 0 H LEU A3316 -11.382 -1.927 5.687 1.00 0.00 H new ATOM 0 HA LEU A3316 -9.343 -1.326 7.553 1.00 0.00 H new ATOM 0 HB2 LEU A3316 -10.393 0.914 7.527 1.00 0.00 H new ATOM 0 HB3 LEU A3316 -9.982 0.288 5.943 1.00 0.00 H new ATOM 0 HG LEU A3316 -12.515 -0.554 6.083 1.00 0.00 H new ATOM 0 HD11 LEU A3316 -13.960 1.305 6.978 1.00 0.00 H new ATOM 0 HD12 LEU A3316 -13.013 0.521 8.264 1.00 0.00 H new ATOM 0 HD13 LEU A3316 -12.502 2.099 7.619 1.00 0.00 H new ATOM 0 HD21 LEU A3316 -13.137 1.518 4.762 1.00 0.00 H new ATOM 0 HD22 LEU A3316 -11.642 2.296 5.333 1.00 0.00 H new ATOM 0 HD23 LEU A3316 -11.554 0.871 4.270 1.00 0.00 H new ATOM 1283 N ASN A3317 -12.350 -1.762 8.812 1.00 0.00 N ATOM 1284 CA ASN A3317 -13.073 -1.943 10.063 1.00 0.00 C ATOM 1285 C ASN A3317 -12.748 -3.289 10.694 1.00 0.00 C ATOM 1286 O ASN A3317 -12.895 -3.448 11.899 1.00 0.00 O ATOM 1287 CB ASN A3317 -14.585 -1.834 9.844 1.00 0.00 C ATOM 1288 CG ASN A3317 -15.268 -1.284 11.077 1.00 0.00 C ATOM 1289 OD1 ASN A3317 -15.914 -1.995 11.839 1.00 0.00 O ATOM 1290 ND2 ASN A3317 -15.140 0.013 11.291 1.00 0.00 N ATOM 0 H ASN A3317 -12.912 -1.940 7.980 1.00 0.00 H new ATOM 0 HA ASN A3317 -12.754 -1.150 10.739 1.00 0.00 H new ATOM 0 HB2 ASN A3317 -14.788 -1.186 8.991 1.00 0.00 H new ATOM 0 HB3 ASN A3317 -14.994 -2.815 9.603 1.00 0.00 H new ATOM 0 HD21 ASN A3317 -15.583 0.442 12.103 1.00 0.00 H new ATOM 0 HD22 ASN A3317 -14.598 0.586 10.644 1.00 0.00 H new ATOM 1297 N GLY A3318 -12.252 -4.232 9.892 1.00 0.00 N ATOM 1298 CA GLY A3318 -11.892 -5.564 10.347 1.00 0.00 C ATOM 1299 C GLY A3318 -13.120 -6.346 10.806 1.00 0.00 C ATOM 1300 O GLY A3318 -12.992 -7.193 11.695 1.00 0.00 O ATOM 0 H GLY A3318 -12.089 -4.084 8.896 1.00 0.00 H new ATOM 0 HA2 GLY A3318 -11.395 -6.104 9.541 1.00 0.00 H new ATOM 0 HA3 GLY A3318 -11.178 -5.489 11.168 1.00 0.00 H new