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 Single : A 4 ASN : amide:sc= -0.0919 X(o=-0.092,f=0) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 THR OG1 : rot 103:sc= 0.0398 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= 0.309 K(o=0.31,f=-0.9) USER MOD Single : A 17 GLN : amide:sc= 0.797 K(o=0.8,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.0688) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 ASN : amide:sc= 0.617 K(o=0.62,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A3291 THR OG1 : rot -45:sc= 0.295 USER MOD Single : A3295 GLN : amide:sc= -0.0647 X(o=-0.065,f=-0.065) USER MOD Single : A3299 SER OG : rot 180:sc= 0 USER MOD Single : A3301 GLN :FLIP amide:sc= 0 F(o=-1.6!,f=0) USER MOD Single : A3302 LYS NZ :NH3+ 177:sc= 0.861 (180deg=0.591) USER MOD Single : A3306 ASN : amide:sc= -0.145 X(o=-0.15,f=-0.15) 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 -21.562 10.869 -4.370 1.00 0.00 N ATOM 33 CA ILE A 3 -20.453 10.396 -5.187 1.00 0.00 C ATOM 34 C ILE A 3 -19.942 9.099 -4.563 1.00 0.00 C ATOM 35 O ILE A 3 -20.149 8.852 -3.369 1.00 0.00 O ATOM 36 CB ILE A 3 -19.424 11.555 -5.268 1.00 0.00 C ATOM 37 CG1 ILE A 3 -18.337 11.357 -6.339 1.00 0.00 C ATOM 38 CG2 ILE A 3 -18.807 11.858 -3.897 1.00 0.00 C ATOM 39 CD1 ILE A 3 -17.648 12.667 -6.751 1.00 0.00 C ATOM 0 HA ILE A 3 -20.718 10.147 -6.215 1.00 0.00 H new ATOM 0 HB ILE A 3 -19.996 12.425 -5.589 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -17.587 10.662 -5.962 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -18.784 10.896 -7.220 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -18.091 12.675 -3.992 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -19.594 12.145 -3.199 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -18.297 10.970 -3.524 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -16.893 12.458 -7.509 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -18.389 13.356 -7.157 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -17.173 13.118 -5.880 1.00 0.00 H new ATOM 51 N ASN A 4 -19.287 8.265 -5.367 1.00 0.00 N ATOM 52 CA ASN A 4 -18.723 6.985 -4.948 1.00 0.00 C ATOM 53 C ASN A 4 -17.242 6.959 -5.279 1.00 0.00 C ATOM 54 O ASN A 4 -16.460 6.595 -4.412 1.00 0.00 O ATOM 55 CB ASN A 4 -19.483 5.777 -5.524 1.00 0.00 C ATOM 56 CG ASN A 4 -19.611 5.828 -7.036 1.00 0.00 C ATOM 57 OD1 ASN A 4 -20.602 6.330 -7.555 1.00 0.00 O ATOM 58 ND2 ASN A 4 -18.604 5.409 -7.777 1.00 0.00 N ATOM 0 H ASN A 4 -19.130 8.467 -6.354 1.00 0.00 H new ATOM 0 HA ASN A 4 -18.841 6.893 -3.868 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -18.968 4.860 -5.238 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -20.478 5.735 -5.081 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -18.645 5.501 -8.792 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -17.784 4.993 -7.335 1.00 0.00 H new ATOM 65 N GLU A 5 -16.831 7.458 -6.446 1.00 0.00 N ATOM 66 CA GLU A 5 -15.430 7.487 -6.878 1.00 0.00 C ATOM 67 C GLU A 5 -14.566 8.278 -5.893 1.00 0.00 C ATOM 68 O GLU A 5 -13.427 7.923 -5.607 1.00 0.00 O ATOM 69 CB GLU A 5 -15.336 8.069 -8.290 1.00 0.00 C ATOM 70 CG GLU A 5 -15.814 7.031 -9.315 1.00 0.00 C ATOM 71 CD GLU A 5 -15.498 7.458 -10.742 1.00 0.00 C ATOM 72 OE1 GLU A 5 -14.310 7.649 -11.073 1.00 0.00 O ATOM 73 OE2 GLU A 5 -16.449 7.614 -11.542 1.00 0.00 O ATOM 0 H GLU A 5 -17.472 7.860 -7.130 1.00 0.00 H new ATOM 0 HA GLU A 5 -15.047 6.467 -6.896 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -15.944 8.971 -8.362 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -14.308 8.359 -8.506 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -15.339 6.072 -9.109 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -16.889 6.884 -9.209 1.00 0.00 H new ATOM 80 N GLN A 6 -15.128 9.350 -5.342 1.00 0.00 N ATOM 81 CA GLN A 6 -14.453 10.193 -4.369 1.00 0.00 C ATOM 82 C GLN A 6 -14.441 9.512 -3.011 1.00 0.00 C ATOM 83 O GLN A 6 -13.536 9.728 -2.204 1.00 0.00 O ATOM 84 CB GLN A 6 -15.181 11.525 -4.294 1.00 0.00 C ATOM 85 CG GLN A 6 -14.296 12.612 -3.697 1.00 0.00 C ATOM 86 CD GLN A 6 -14.824 13.996 -4.048 1.00 0.00 C ATOM 87 OE1 GLN A 6 -15.776 14.488 -3.443 1.00 0.00 O ATOM 88 NE2 GLN A 6 -14.235 14.643 -5.038 1.00 0.00 N ATOM 0 H GLN A 6 -16.075 9.658 -5.563 1.00 0.00 H new ATOM 0 HA GLN A 6 -13.419 10.361 -4.672 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -15.501 11.823 -5.293 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -16.082 11.415 -3.690 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -14.254 12.498 -2.614 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -13.277 12.502 -4.069 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -13.447 14.218 -5.527 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -14.568 15.567 -5.313 1.00 0.00 H new ATOM 97 N THR A 7 -15.467 8.711 -2.738 1.00 0.00 N ATOM 98 CA THR A 7 -15.533 7.996 -1.480 1.00 0.00 C ATOM 99 C THR A 7 -14.447 6.920 -1.404 1.00 0.00 C ATOM 100 O THR A 7 -13.815 6.818 -0.360 1.00 0.00 O ATOM 101 CB THR A 7 -16.892 7.346 -1.280 1.00 0.00 C ATOM 102 OG1 THR A 7 -17.940 8.287 -1.450 1.00 0.00 O ATOM 103 CG2 THR A 7 -16.923 6.751 0.128 1.00 0.00 C ATOM 0 H THR A 7 -16.253 8.546 -3.367 1.00 0.00 H new ATOM 0 HA THR A 7 -15.373 8.729 -0.689 1.00 0.00 H new ATOM 0 HB THR A 7 -17.043 6.565 -2.025 1.00 0.00 H new ATOM 0 HG1 THR A 7 -18.350 8.164 -2.332 1.00 0.00 H new ATOM 0 HG21 THR A 7 -17.889 6.276 0.301 1.00 0.00 H new ATOM 0 HG22 THR A 7 -16.131 6.009 0.227 1.00 0.00 H new ATOM 0 HG23 THR A 7 -16.771 7.543 0.861 1.00 0.00 H new ATOM 111 N LEU A 8 -14.124 6.212 -2.494 1.00 0.00 N ATOM 112 CA LEU A 8 -13.117 5.148 -2.524 1.00 0.00 C ATOM 113 C LEU A 8 -11.808 5.677 -1.952 1.00 0.00 C ATOM 114 O LEU A 8 -11.055 4.908 -1.376 1.00 0.00 O ATOM 115 CB LEU A 8 -12.790 4.687 -3.956 1.00 0.00 C ATOM 116 CG LEU A 8 -13.935 4.625 -4.980 1.00 0.00 C ATOM 117 CD1 LEU A 8 -13.423 4.192 -6.354 1.00 0.00 C ATOM 118 CD2 LEU A 8 -15.064 3.703 -4.530 1.00 0.00 C ATOM 0 H LEU A 8 -14.567 6.368 -3.399 1.00 0.00 H new ATOM 0 HA LEU A 8 -13.529 4.318 -1.951 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -12.024 5.353 -4.353 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -12.346 3.693 -3.892 1.00 0.00 H new ATOM 0 HG LEU A 8 -14.340 5.634 -5.054 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -14.255 4.157 -7.058 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -12.679 4.906 -6.707 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -12.970 3.204 -6.278 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -15.849 3.693 -5.286 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -14.677 2.693 -4.395 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -15.474 4.064 -3.587 1.00 0.00 H new ATOM 130 N ASP A 9 -11.541 6.978 -2.085 1.00 0.00 N ATOM 131 CA ASP A 9 -10.342 7.647 -1.599 1.00 0.00 C ATOM 132 C ASP A 9 -10.104 7.355 -0.114 1.00 0.00 C ATOM 133 O ASP A 9 -8.975 7.045 0.284 1.00 0.00 O ATOM 134 CB ASP A 9 -10.487 9.152 -1.812 1.00 0.00 C ATOM 135 CG ASP A 9 -9.168 9.891 -1.628 1.00 0.00 C ATOM 136 OD1 ASP A 9 -8.586 9.868 -0.522 1.00 0.00 O ATOM 137 OD2 ASP A 9 -8.710 10.535 -2.601 1.00 0.00 O ATOM 0 H ASP A 9 -12.183 7.616 -2.554 1.00 0.00 H new ATOM 0 HA ASP A 9 -9.485 7.270 -2.157 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -10.869 9.340 -2.815 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -11.223 9.547 -1.112 1.00 0.00 H new ATOM 142 N LYS A 10 -11.157 7.415 0.711 1.00 0.00 N ATOM 143 CA LYS A 10 -11.038 7.143 2.145 1.00 0.00 C ATOM 144 C LYS A 10 -10.798 5.650 2.378 1.00 0.00 C ATOM 145 O LYS A 10 -10.284 5.259 3.426 1.00 0.00 O ATOM 146 CB LYS A 10 -12.241 7.701 2.933 1.00 0.00 C ATOM 147 CG LYS A 10 -13.472 6.797 2.931 1.00 0.00 C ATOM 148 CD LYS A 10 -14.722 7.402 3.565 1.00 0.00 C ATOM 149 CE LYS A 10 -14.808 7.183 5.074 1.00 0.00 C ATOM 150 NZ LYS A 10 -16.084 7.709 5.595 1.00 0.00 N ATOM 0 H LYS A 10 -12.102 7.650 0.407 1.00 0.00 H new ATOM 0 HA LYS A 10 -10.168 7.672 2.535 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -11.935 7.875 3.965 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -12.516 8.669 2.515 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -13.702 6.525 1.901 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -13.227 5.875 3.457 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -14.742 8.472 3.360 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -15.604 6.970 3.093 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -14.726 6.120 5.299 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -13.973 7.679 5.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -16.130 7.554 6.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -16.147 8.728 5.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -16.876 7.217 5.135 1.00 0.00 H new ATOM 164 N LEU A 11 -11.285 4.789 1.487 1.00 0.00 N ATOM 165 CA LEU A 11 -11.131 3.349 1.577 1.00 0.00 C ATOM 166 C LEU A 11 -9.718 2.942 1.186 1.00 0.00 C ATOM 167 O LEU A 11 -9.049 2.235 1.932 1.00 0.00 O ATOM 168 CB LEU A 11 -12.170 2.610 0.723 1.00 0.00 C ATOM 169 CG LEU A 11 -13.612 2.552 1.235 1.00 0.00 C ATOM 170 CD1 LEU A 11 -13.813 2.206 2.711 1.00 0.00 C ATOM 171 CD2 LEU A 11 -14.360 3.845 0.968 1.00 0.00 C ATOM 0 H LEU A 11 -11.810 5.086 0.664 1.00 0.00 H new ATOM 0 HA LEU A 11 -11.303 3.061 2.614 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -12.184 3.076 -0.262 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -11.823 1.586 0.587 1.00 0.00 H new ATOM 0 HG LEU A 11 -14.012 1.716 0.662 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -14.878 2.199 2.941 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -13.391 1.222 2.915 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -13.313 2.950 3.331 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -15.379 3.761 1.347 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -13.853 4.669 1.470 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -14.387 4.035 -0.105 1.00 0.00 H new ATOM 183 N ARG A 12 -9.224 3.368 0.025 1.00 0.00 N ATOM 184 CA ARG A 12 -7.880 3.025 -0.447 1.00 0.00 C ATOM 185 C ARG A 12 -6.835 3.456 0.562 1.00 0.00 C ATOM 186 O ARG A 12 -5.940 2.675 0.867 1.00 0.00 O ATOM 187 CB ARG A 12 -7.640 3.520 -1.881 1.00 0.00 C ATOM 188 CG ARG A 12 -8.163 4.924 -2.205 1.00 0.00 C ATOM 189 CD ARG A 12 -7.139 5.910 -2.749 1.00 0.00 C ATOM 190 NE ARG A 12 -6.923 7.078 -1.873 1.00 0.00 N ATOM 191 CZ ARG A 12 -6.069 8.076 -2.135 1.00 0.00 C ATOM 192 NH1 ARG A 12 -5.210 7.984 -3.145 1.00 0.00 N ATOM 193 NH2 ARG A 12 -6.078 9.169 -1.386 1.00 0.00 N ATOM 0 H ARG A 12 -9.745 3.963 -0.619 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.788 1.941 -0.517 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -6.568 3.500 -2.076 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -8.103 2.814 -2.570 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -8.970 4.830 -2.932 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -8.598 5.346 -1.299 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -6.190 5.394 -2.893 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -7.465 6.257 -3.730 1.00 0.00 H new ATOM 0 HE ARG A 12 -7.461 7.129 -1.008 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -5.197 7.148 -3.729 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -4.564 8.750 -3.336 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -6.735 9.250 -0.610 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -5.428 9.929 -1.585 1.00 0.00 H new ATOM 207 N GLN A 13 -6.967 4.644 1.144 1.00 0.00 N ATOM 208 CA GLN A 13 -6.032 5.118 2.151 1.00 0.00 C ATOM 209 C GLN A 13 -6.123 4.262 3.429 1.00 0.00 C ATOM 210 O GLN A 13 -5.137 4.110 4.152 1.00 0.00 O ATOM 211 CB GLN A 13 -6.193 6.624 2.344 1.00 0.00 C ATOM 212 CG GLN A 13 -7.483 7.008 3.060 1.00 0.00 C ATOM 213 CD GLN A 13 -7.369 6.979 4.585 1.00 0.00 C ATOM 214 OE1 GLN A 13 -6.354 7.341 5.184 1.00 0.00 O ATOM 215 NE2 GLN A 13 -8.397 6.496 5.253 1.00 0.00 N ATOM 0 H GLN A 13 -7.720 5.298 0.931 1.00 0.00 H new ATOM 0 HA GLN A 13 -5.003 4.985 1.816 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -5.344 7.003 2.913 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -6.168 7.112 1.370 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -7.779 8.009 2.745 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -8.277 6.328 2.750 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -9.235 6.198 4.754 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -8.355 6.421 6.269 1.00 0.00 H new ATOM 224 N ALA A 14 -7.302 3.714 3.750 1.00 0.00 N ATOM 225 CA ALA A 14 -7.496 2.861 4.914 1.00 0.00 C ATOM 226 C ALA A 14 -6.797 1.519 4.649 1.00 0.00 C ATOM 227 O ALA A 14 -6.093 1.006 5.519 1.00 0.00 O ATOM 228 CB ALA A 14 -8.997 2.680 5.176 1.00 0.00 C ATOM 0 H ALA A 14 -8.150 3.855 3.201 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.062 3.313 5.806 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -9.140 2.041 6.048 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -9.454 3.652 5.360 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.465 2.218 4.307 1.00 0.00 H new ATOM 234 N VAL A 15 -6.961 0.972 3.439 1.00 0.00 N ATOM 235 CA VAL A 15 -6.375 -0.283 2.987 1.00 0.00 C ATOM 236 C VAL A 15 -4.848 -0.171 2.899 1.00 0.00 C ATOM 237 O VAL A 15 -4.147 -1.004 3.472 1.00 0.00 O ATOM 238 CB VAL A 15 -6.994 -0.704 1.635 1.00 0.00 C ATOM 239 CG1 VAL A 15 -6.288 -1.909 1.008 1.00 0.00 C ATOM 240 CG2 VAL A 15 -8.460 -1.090 1.790 1.00 0.00 C ATOM 0 H VAL A 15 -7.532 1.417 2.720 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.601 -1.060 3.717 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.880 0.168 0.991 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.766 -2.159 0.061 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.240 -1.666 0.832 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -6.354 -2.762 1.684 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -8.864 -1.381 0.820 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -8.545 -1.926 2.484 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -9.021 -0.239 2.177 1.00 0.00 H new ATOM 250 N LEU A 16 -4.304 0.863 2.242 1.00 0.00 N ATOM 251 CA LEU A 16 -2.856 1.033 2.082 1.00 0.00 C ATOM 252 C LEU A 16 -2.133 0.961 3.417 1.00 0.00 C ATOM 253 O LEU A 16 -1.080 0.342 3.491 1.00 0.00 O ATOM 254 CB LEU A 16 -2.477 2.257 1.216 1.00 0.00 C ATOM 255 CG LEU A 16 -2.528 3.664 1.836 1.00 0.00 C ATOM 256 CD1 LEU A 16 -1.232 4.050 2.562 1.00 0.00 C ATOM 257 CD2 LEU A 16 -2.795 4.705 0.731 1.00 0.00 C ATOM 0 H LEU A 16 -4.856 1.603 1.808 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.495 0.183 1.503 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.463 2.097 0.849 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.134 2.259 0.346 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.331 3.650 2.573 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.332 5.053 2.977 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.042 3.341 3.368 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.401 4.030 1.857 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.831 5.702 1.171 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.995 4.664 -0.009 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.748 4.487 0.248 1.00 0.00 H new ATOM 269 N GLN A 17 -2.719 1.503 4.488 1.00 0.00 N ATOM 270 CA GLN A 17 -2.097 1.460 5.802 1.00 0.00 C ATOM 271 C GLN A 17 -1.800 0.016 6.228 1.00 0.00 C ATOM 272 O GLN A 17 -0.682 -0.233 6.686 1.00 0.00 O ATOM 273 CB GLN A 17 -2.964 2.204 6.826 1.00 0.00 C ATOM 274 CG GLN A 17 -2.815 3.719 6.654 1.00 0.00 C ATOM 275 CD GLN A 17 -3.812 4.489 7.488 1.00 0.00 C ATOM 276 OE1 GLN A 17 -3.700 4.602 8.708 1.00 0.00 O ATOM 277 NE2 GLN A 17 -4.793 5.077 6.840 1.00 0.00 N ATOM 0 H GLN A 17 -3.623 1.975 4.465 1.00 0.00 H new ATOM 0 HA GLN A 17 -1.136 1.973 5.752 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.009 1.919 6.702 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -2.672 1.916 7.836 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -1.804 4.017 6.932 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -2.946 3.978 5.603 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -4.871 4.973 5.828 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -5.476 5.638 7.349 1.00 0.00 H new ATOM 286 N LYS A 18 -2.729 -0.951 6.093 1.00 0.00 N ATOM 287 CA LYS A 18 -2.401 -2.313 6.525 1.00 0.00 C ATOM 288 C LYS A 18 -1.299 -2.917 5.658 1.00 0.00 C ATOM 289 O LYS A 18 -0.433 -3.606 6.187 1.00 0.00 O ATOM 290 CB LYS A 18 -3.644 -3.212 6.634 1.00 0.00 C ATOM 291 CG LYS A 18 -4.212 -3.660 5.279 1.00 0.00 C ATOM 292 CD LYS A 18 -5.697 -3.351 5.085 1.00 0.00 C ATOM 293 CE LYS A 18 -6.519 -4.602 5.327 1.00 0.00 C ATOM 294 NZ LYS A 18 -6.860 -4.859 6.738 1.00 0.00 N ATOM 0 H LYS A 18 -3.665 -0.822 5.708 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.004 -2.248 7.538 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -3.391 -4.095 7.220 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -4.419 -2.677 7.183 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.645 -3.176 4.483 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.059 -4.734 5.172 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -6.006 -2.563 5.772 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -5.872 -2.980 4.075 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -7.443 -4.529 4.753 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.970 -5.460 4.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -7.421 -5.732 6.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.987 -4.964 7.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -7.413 -4.062 7.112 1.00 0.00 H new ATOM 308 N LYS A 19 -1.278 -2.616 4.357 1.00 0.00 N ATOM 309 CA LYS A 19 -0.277 -3.123 3.425 1.00 0.00 C ATOM 310 C LYS A 19 1.122 -2.697 3.856 1.00 0.00 C ATOM 311 O LYS A 19 2.051 -3.494 3.738 1.00 0.00 O ATOM 312 CB LYS A 19 -0.614 -2.657 2.004 1.00 0.00 C ATOM 313 CG LYS A 19 -1.737 -3.525 1.415 1.00 0.00 C ATOM 314 CD LYS A 19 -2.455 -2.836 0.251 1.00 0.00 C ATOM 315 CE LYS A 19 -2.867 -3.813 -0.849 1.00 0.00 C ATOM 316 NZ LYS A 19 -3.693 -4.951 -0.412 1.00 0.00 N ATOM 0 H LYS A 19 -1.967 -2.005 3.919 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.290 -4.213 3.431 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.922 -1.612 2.019 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.273 -2.719 1.373 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.319 -4.472 1.072 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.459 -3.760 2.197 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.341 -2.325 0.628 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.802 -2.073 -0.172 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.415 -3.262 -1.613 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -1.965 -4.202 -1.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -3.918 -5.552 -1.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -3.170 -5.509 0.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -4.575 -4.598 0.010 1.00 0.00 H new ATOM 330 N ILE A 20 1.284 -1.506 4.446 1.00 0.00 N ATOM 331 CA ILE A 20 2.608 -1.064 4.880 1.00 0.00 C ATOM 332 C ILE A 20 3.089 -2.005 5.995 1.00 0.00 C ATOM 333 O ILE A 20 4.279 -2.310 6.077 1.00 0.00 O ATOM 334 CB ILE A 20 2.630 0.422 5.301 1.00 0.00 C ATOM 335 CG1 ILE A 20 1.840 1.384 4.386 1.00 0.00 C ATOM 336 CG2 ILE A 20 4.082 0.924 5.401 1.00 0.00 C ATOM 337 CD1 ILE A 20 1.978 1.160 2.872 1.00 0.00 C ATOM 0 H ILE A 20 0.529 -0.845 4.630 1.00 0.00 H new ATOM 0 HA ILE A 20 3.301 -1.120 4.040 1.00 0.00 H new ATOM 0 HB ILE A 20 2.126 0.438 6.267 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.784 1.312 4.646 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.155 2.403 4.610 1.00 0.00 H new ATOM 0 HG21 ILE A 20 4.085 1.973 5.698 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.620 0.335 6.143 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.570 0.820 4.432 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.377 1.897 2.339 1.00 0.00 H new ATOM 0 HD12 ILE A 20 3.023 1.266 2.582 1.00 0.00 H new ATOM 0 HD13 ILE A 20 1.631 0.158 2.619 1.00 0.00 H new ATOM 349 N LYS A 21 2.182 -2.488 6.852 1.00 0.00 N ATOM 350 CA LYS A 21 2.506 -3.416 7.934 1.00 0.00 C ATOM 351 C LYS A 21 2.839 -4.789 7.359 1.00 0.00 C ATOM 352 O LYS A 21 3.575 -5.545 7.981 1.00 0.00 O ATOM 353 CB LYS A 21 1.327 -3.659 8.878 1.00 0.00 C ATOM 354 CG LYS A 21 0.617 -2.389 9.351 1.00 0.00 C ATOM 355 CD LYS A 21 -0.294 -2.606 10.568 1.00 0.00 C ATOM 356 CE LYS A 21 -1.606 -3.341 10.267 1.00 0.00 C ATOM 357 NZ LYS A 21 -1.488 -4.812 10.361 1.00 0.00 N ATOM 0 H LYS A 21 1.193 -2.241 6.811 1.00 0.00 H new ATOM 0 HA LYS A 21 3.338 -2.960 8.471 1.00 0.00 H new ATOM 0 HB2 LYS A 21 0.602 -4.299 8.375 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.684 -4.206 9.750 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.365 -1.636 9.599 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.022 -1.989 8.530 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.257 -3.170 11.321 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.530 -1.636 11.005 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.373 -3.000 10.962 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.942 -3.074 9.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.436 -5.232 10.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.012 -5.177 9.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.932 -5.063 11.203 1.00 0.00 H new ATOM 371 N GLU A 22 2.259 -5.149 6.214 1.00 0.00 N ATOM 372 CA GLU A 22 2.502 -6.440 5.600 1.00 0.00 C ATOM 373 C GLU A 22 3.913 -6.460 5.051 1.00 0.00 C ATOM 374 O GLU A 22 4.663 -7.361 5.413 1.00 0.00 O ATOM 375 CB GLU A 22 1.477 -6.765 4.504 1.00 0.00 C ATOM 376 CG GLU A 22 0.096 -6.979 5.128 1.00 0.00 C ATOM 377 CD GLU A 22 -0.995 -7.377 4.133 1.00 0.00 C ATOM 378 OE1 GLU A 22 -1.916 -8.114 4.539 1.00 0.00 O ATOM 379 OE2 GLU A 22 -0.986 -6.854 2.992 1.00 0.00 O ATOM 0 H GLU A 22 1.613 -4.554 5.695 1.00 0.00 H new ATOM 0 HA GLU A 22 2.390 -7.214 6.359 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.436 -5.952 3.780 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.783 -7.660 3.962 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.173 -7.752 5.892 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.207 -6.061 5.632 1.00 0.00 H new ATOM 386 N ARG A 23 4.320 -5.450 4.283 1.00 0.00 N ATOM 387 CA ARG A 23 5.675 -5.433 3.731 1.00 0.00 C ATOM 388 C ARG A 23 6.724 -5.409 4.832 1.00 0.00 C ATOM 389 O ARG A 23 7.650 -6.205 4.778 1.00 0.00 O ATOM 390 CB ARG A 23 5.869 -4.351 2.658 1.00 0.00 C ATOM 391 CG ARG A 23 5.417 -2.932 3.002 1.00 0.00 C ATOM 392 CD ARG A 23 6.526 -1.972 3.437 1.00 0.00 C ATOM 393 NE ARG A 23 7.587 -1.849 2.415 1.00 0.00 N ATOM 394 CZ ARG A 23 7.470 -1.391 1.159 1.00 0.00 C ATOM 395 NH1 ARG A 23 6.326 -0.845 0.751 1.00 0.00 N ATOM 396 NH2 ARG A 23 8.503 -1.486 0.325 1.00 0.00 N ATOM 0 H ARG A 23 3.744 -4.647 4.032 1.00 0.00 H new ATOM 0 HA ARG A 23 5.821 -6.372 3.197 1.00 0.00 H new ATOM 0 HB2 ARG A 23 6.928 -4.315 2.403 1.00 0.00 H new ATOM 0 HB3 ARG A 23 5.336 -4.666 1.761 1.00 0.00 H new ATOM 0 HG2 ARG A 23 4.915 -2.509 2.132 1.00 0.00 H new ATOM 0 HG3 ARG A 23 4.677 -2.989 3.800 1.00 0.00 H new ATOM 0 HD2 ARG A 23 6.098 -0.989 3.634 1.00 0.00 H new ATOM 0 HD3 ARG A 23 6.963 -2.323 4.372 1.00 0.00 H new ATOM 0 HE ARG A 23 8.520 -2.148 2.698 1.00 0.00 H new ATOM 0 HH11 ARG A 23 5.537 -0.774 1.393 1.00 0.00 H new ATOM 0 HH12 ARG A 23 6.239 -0.497 -0.204 1.00 0.00 H new ATOM 0 HH21 ARG A 23 9.377 -1.905 0.642 1.00 0.00 H new ATOM 0 HH22 ARG A 23 8.420 -1.140 -0.631 1.00 0.00 H new ATOM 410 N ILE A 24 6.571 -4.583 5.868 1.00 0.00 N ATOM 411 CA ILE A 24 7.555 -4.535 6.952 1.00 0.00 C ATOM 412 C ILE A 24 7.606 -5.850 7.746 1.00 0.00 C ATOM 413 O ILE A 24 8.699 -6.288 8.113 1.00 0.00 O ATOM 414 CB ILE A 24 7.281 -3.322 7.871 1.00 0.00 C ATOM 415 CG1 ILE A 24 8.372 -3.136 8.947 1.00 0.00 C ATOM 416 CG2 ILE A 24 5.903 -3.419 8.535 1.00 0.00 C ATOM 417 CD1 ILE A 24 7.973 -2.130 10.027 1.00 0.00 C ATOM 0 H ILE A 24 5.784 -3.944 5.980 1.00 0.00 H new ATOM 0 HA ILE A 24 8.541 -4.409 6.504 1.00 0.00 H new ATOM 0 HB ILE A 24 7.299 -2.445 7.224 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.584 -4.098 9.413 1.00 0.00 H new ATOM 0 HG13 ILE A 24 9.294 -2.803 8.470 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.745 -2.550 9.173 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.130 -3.450 7.767 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.853 -4.326 9.138 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.778 -2.040 10.756 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.788 -1.158 9.569 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.067 -2.473 10.527 1.00 0.00 H new ATOM 429 N GLN A 25 6.460 -6.480 8.029 1.00 0.00 N ATOM 430 CA GLN A 25 6.414 -7.711 8.809 1.00 0.00 C ATOM 431 C GLN A 25 6.856 -8.939 8.016 1.00 0.00 C ATOM 432 O GLN A 25 7.615 -9.766 8.517 1.00 0.00 O ATOM 433 CB GLN A 25 4.977 -7.917 9.315 1.00 0.00 C ATOM 434 CG GLN A 25 4.833 -9.006 10.385 1.00 0.00 C ATOM 435 CD GLN A 25 3.407 -9.553 10.410 1.00 0.00 C ATOM 436 OE1 GLN A 25 2.465 -8.854 10.781 1.00 0.00 O ATOM 437 NE2 GLN A 25 3.188 -10.763 9.930 1.00 0.00 N ATOM 0 H GLN A 25 5.545 -6.149 7.723 1.00 0.00 H new ATOM 0 HA GLN A 25 7.115 -7.604 9.637 1.00 0.00 H new ATOM 0 HB2 GLN A 25 4.609 -6.975 9.721 1.00 0.00 H new ATOM 0 HB3 GLN A 25 4.339 -8.170 8.468 1.00 0.00 H new ATOM 0 HG2 GLN A 25 5.535 -9.815 10.184 1.00 0.00 H new ATOM 0 HG3 GLN A 25 5.089 -8.598 11.363 1.00 0.00 H new ATOM 0 HE21 GLN A 25 3.972 -11.340 9.623 1.00 0.00 H new ATOM 0 HE22 GLN A 25 2.235 -11.121 9.866 1.00 0.00 H new ATOM 446 N ASN A 26 6.341 -9.108 6.804 1.00 0.00 N ATOM 447 CA ASN A 26 6.665 -10.253 5.958 1.00 0.00 C ATOM 448 C ASN A 26 8.023 -10.098 5.311 1.00 0.00 C ATOM 449 O ASN A 26 8.830 -11.009 5.376 1.00 0.00 O ATOM 450 CB ASN A 26 5.546 -10.468 4.933 1.00 0.00 C ATOM 451 CG ASN A 26 4.264 -10.768 5.691 1.00 0.00 C ATOM 452 OD1 ASN A 26 4.106 -11.856 6.232 1.00 0.00 O ATOM 453 ND2 ASN A 26 3.390 -9.800 5.886 1.00 0.00 N ATOM 0 H ASN A 26 5.685 -8.454 6.378 1.00 0.00 H new ATOM 0 HA ASN A 26 6.730 -11.147 6.578 1.00 0.00 H new ATOM 0 HB2 ASN A 26 5.423 -9.581 4.312 1.00 0.00 H new ATOM 0 HB3 ASN A 26 5.795 -11.292 4.265 1.00 0.00 H new ATOM 0 HD21 ASN A 26 2.581 -9.957 6.488 1.00 0.00 H new ATOM 0 HD22 ASN A 26 3.523 -8.895 5.435 1.00 0.00 H new ATOM 460 N SER A 27 8.250 -8.953 4.663 1.00 0.00 N ATOM 461 CA SER A 27 9.484 -8.568 3.957 1.00 0.00 C ATOM 462 C SER A 27 9.916 -9.530 2.832 1.00 0.00 C ATOM 463 O SER A 27 10.897 -9.296 2.120 1.00 0.00 O ATOM 464 CB SER A 27 10.580 -8.314 5.009 1.00 0.00 C ATOM 465 OG SER A 27 11.524 -7.323 4.635 1.00 0.00 O ATOM 0 H SER A 27 7.538 -8.224 4.611 1.00 0.00 H new ATOM 0 HA SER A 27 9.288 -7.649 3.405 1.00 0.00 H new ATOM 0 HB2 SER A 27 10.108 -8.016 5.945 1.00 0.00 H new ATOM 0 HB3 SER A 27 11.107 -9.248 5.202 1.00 0.00 H new ATOM 0 HG SER A 27 12.186 -7.215 5.350 1.00 0.00 H new ATOM 834 N ILE A3289 6.971 5.849 7.454 1.00 0.00 N ATOM 835 CA ILE A3289 8.390 6.130 7.311 1.00 0.00 C ATOM 836 C ILE A3289 8.548 6.678 5.898 1.00 0.00 C ATOM 837 O ILE A3289 8.803 5.961 4.929 1.00 0.00 O ATOM 838 CB ILE A3289 9.273 4.920 7.688 1.00 0.00 C ATOM 839 CG1 ILE A3289 8.824 4.239 9.002 1.00 0.00 C ATOM 840 CG2 ILE A3289 10.712 5.441 7.862 1.00 0.00 C ATOM 841 CD1 ILE A3289 9.573 2.942 9.323 1.00 0.00 C ATOM 0 HA ILE A3289 8.754 6.876 8.018 1.00 0.00 H new ATOM 0 HB ILE A3289 9.194 4.172 6.899 1.00 0.00 H new ATOM 0 HG12 ILE A3289 8.961 4.939 9.826 1.00 0.00 H new ATOM 0 HG13 ILE A3289 7.757 4.024 8.941 1.00 0.00 H new ATOM 0 HG21 ILE A3289 11.369 4.613 8.130 1.00 0.00 H new ATOM 0 HG22 ILE A3289 11.053 5.887 6.928 1.00 0.00 H new ATOM 0 HG23 ILE A3289 10.734 6.192 8.652 1.00 0.00 H new ATOM 0 HD11 ILE A3289 9.199 2.528 10.259 1.00 0.00 H new ATOM 0 HD12 ILE A3289 9.415 2.222 8.520 1.00 0.00 H new ATOM 0 HD13 ILE A3289 10.638 3.151 9.419 1.00 0.00 H new ATOM 853 N GLU A3290 8.323 7.981 5.811 1.00 0.00 N ATOM 854 CA GLU A3290 8.356 8.821 4.626 1.00 0.00 C ATOM 855 C GLU A3290 9.708 8.852 3.900 1.00 0.00 C ATOM 856 O GLU A3290 9.790 9.330 2.775 1.00 0.00 O ATOM 857 CB GLU A3290 7.937 10.217 5.108 1.00 0.00 C ATOM 858 CG GLU A3290 7.599 11.179 3.971 1.00 0.00 C ATOM 859 CD GLU A3290 6.469 10.702 3.057 1.00 0.00 C ATOM 860 OE1 GLU A3290 6.432 11.214 1.912 1.00 0.00 O ATOM 861 OE2 GLU A3290 5.624 9.886 3.500 1.00 0.00 O ATOM 0 H GLU A3290 8.092 8.524 6.643 1.00 0.00 H new ATOM 0 HA GLU A3290 7.683 8.417 3.870 1.00 0.00 H new ATOM 0 HB2 GLU A3290 7.070 10.122 5.762 1.00 0.00 H new ATOM 0 HB3 GLU A3290 8.743 10.643 5.706 1.00 0.00 H new ATOM 0 HG2 GLU A3290 7.323 12.144 4.397 1.00 0.00 H new ATOM 0 HG3 GLU A3290 8.493 11.340 3.369 1.00 0.00 H new ATOM 868 N THR A3291 10.753 8.302 4.507 1.00 0.00 N ATOM 869 CA THR A3291 12.113 8.251 3.988 1.00 0.00 C ATOM 870 C THR A3291 12.621 6.805 4.077 1.00 0.00 C ATOM 871 O THR A3291 13.723 6.533 4.553 1.00 0.00 O ATOM 872 CB THR A3291 12.924 9.329 4.743 1.00 0.00 C ATOM 873 OG1 THR A3291 14.295 9.336 4.419 1.00 0.00 O ATOM 874 CG2 THR A3291 12.836 9.214 6.268 1.00 0.00 C ATOM 0 H THR A3291 10.670 7.857 5.421 1.00 0.00 H new ATOM 0 HA THR A3291 12.205 8.497 2.930 1.00 0.00 H new ATOM 0 HB THR A3291 12.453 10.253 4.409 1.00 0.00 H new ATOM 0 HG1 THR A3291 14.633 8.416 4.407 1.00 0.00 H new ATOM 0 HG21 THR A3291 13.430 10.004 6.727 1.00 0.00 H new ATOM 0 HG22 THR A3291 11.797 9.313 6.581 1.00 0.00 H new ATOM 0 HG23 THR A3291 13.218 8.243 6.582 1.00 0.00 H new ATOM 882 N PHE A3292 11.791 5.836 3.686 1.00 0.00 N ATOM 883 CA PHE A3292 12.175 4.421 3.741 1.00 0.00 C ATOM 884 C PHE A3292 11.557 3.629 2.602 1.00 0.00 C ATOM 885 O PHE A3292 12.277 3.094 1.757 1.00 0.00 O ATOM 886 CB PHE A3292 11.783 3.868 5.114 1.00 0.00 C ATOM 887 CG PHE A3292 12.091 2.409 5.395 1.00 0.00 C ATOM 888 CD1 PHE A3292 13.371 1.874 5.161 1.00 0.00 C ATOM 889 CD2 PHE A3292 11.111 1.608 6.006 1.00 0.00 C ATOM 890 CE1 PHE A3292 13.653 0.543 5.521 1.00 0.00 C ATOM 891 CE2 PHE A3292 11.386 0.276 6.357 1.00 0.00 C ATOM 892 CZ PHE A3292 12.659 -0.260 6.108 1.00 0.00 C ATOM 0 H PHE A3292 10.850 6.003 3.328 1.00 0.00 H new ATOM 0 HA PHE A3292 13.253 4.326 3.614 1.00 0.00 H new ATOM 0 HB2 PHE A3292 12.282 4.470 5.874 1.00 0.00 H new ATOM 0 HB3 PHE A3292 10.711 4.016 5.243 1.00 0.00 H new ATOM 0 HD1 PHE A3292 14.137 2.484 4.705 1.00 0.00 H new ATOM 0 HD2 PHE A3292 10.134 2.022 6.208 1.00 0.00 H new ATOM 0 HE1 PHE A3292 14.638 0.136 5.346 1.00 0.00 H new ATOM 0 HE2 PHE A3292 10.621 -0.333 6.816 1.00 0.00 H new ATOM 0 HZ PHE A3292 12.875 -1.286 6.366 1.00 0.00 H new ATOM 902 N PHE A3293 10.228 3.609 2.538 1.00 0.00 N ATOM 903 CA PHE A3293 9.453 2.902 1.520 1.00 0.00 C ATOM 904 C PHE A3293 8.515 3.834 0.759 1.00 0.00 C ATOM 905 O PHE A3293 7.659 3.347 0.025 1.00 0.00 O ATOM 906 CB PHE A3293 8.721 1.707 2.153 1.00 0.00 C ATOM 907 CG PHE A3293 8.102 1.938 3.525 1.00 0.00 C ATOM 908 CD1 PHE A3293 8.217 0.955 4.529 1.00 0.00 C ATOM 909 CD2 PHE A3293 7.465 3.156 3.831 1.00 0.00 C ATOM 910 CE1 PHE A3293 7.735 1.207 5.827 1.00 0.00 C ATOM 911 CE2 PHE A3293 7.005 3.411 5.125 1.00 0.00 C ATOM 912 CZ PHE A3293 7.151 2.448 6.133 1.00 0.00 C ATOM 0 H PHE A3293 9.642 4.099 3.214 1.00 0.00 H new ATOM 0 HA PHE A3293 10.142 2.512 0.771 1.00 0.00 H new ATOM 0 HB2 PHE A3293 7.931 1.391 1.471 1.00 0.00 H new ATOM 0 HB3 PHE A3293 9.425 0.879 2.232 1.00 0.00 H new ATOM 0 HD1 PHE A3293 8.677 0.005 4.301 1.00 0.00 H new ATOM 0 HD2 PHE A3293 7.331 3.899 3.059 1.00 0.00 H new ATOM 0 HE1 PHE A3293 7.814 0.446 6.589 1.00 0.00 H new ATOM 0 HE2 PHE A3293 6.534 4.356 5.350 1.00 0.00 H new ATOM 0 HZ PHE A3293 6.817 2.658 7.138 1.00 0.00 H new ATOM 922 N ALA A3294 8.632 5.154 0.936 1.00 0.00 N ATOM 923 CA ALA A3294 7.789 6.123 0.255 1.00 0.00 C ATOM 924 C ALA A3294 7.751 5.892 -1.259 1.00 0.00 C ATOM 925 O ALA A3294 6.710 6.115 -1.877 1.00 0.00 O ATOM 926 CB ALA A3294 8.242 7.541 0.590 1.00 0.00 C ATOM 0 H ALA A3294 9.320 5.575 1.560 1.00 0.00 H new ATOM 0 HA ALA A3294 6.769 5.989 0.615 1.00 0.00 H new ATOM 0 HB1 ALA A3294 7.603 8.258 0.074 1.00 0.00 H new ATOM 0 HB2 ALA A3294 8.172 7.701 1.666 1.00 0.00 H new ATOM 0 HB3 ALA A3294 9.275 7.678 0.269 1.00 0.00 H new ATOM 932 N GLN A3295 8.837 5.402 -1.864 1.00 0.00 N ATOM 933 CA GLN A3295 8.831 5.177 -3.308 1.00 0.00 C ATOM 934 C GLN A3295 7.918 4.007 -3.667 1.00 0.00 C ATOM 935 O GLN A3295 7.305 3.978 -4.721 1.00 0.00 O ATOM 936 CB GLN A3295 10.246 4.952 -3.845 1.00 0.00 C ATOM 937 CG GLN A3295 11.259 6.026 -3.420 1.00 0.00 C ATOM 938 CD GLN A3295 10.687 7.441 -3.445 1.00 0.00 C ATOM 939 OE1 GLN A3295 10.292 7.940 -4.495 1.00 0.00 O ATOM 940 NE2 GLN A3295 10.572 8.102 -2.305 1.00 0.00 N ATOM 0 H GLN A3295 9.708 5.160 -1.391 1.00 0.00 H new ATOM 0 HA GLN A3295 8.439 6.076 -3.784 1.00 0.00 H new ATOM 0 HB2 GLN A3295 10.601 3.979 -3.505 1.00 0.00 H new ATOM 0 HB3 GLN A3295 10.208 4.915 -4.934 1.00 0.00 H new ATOM 0 HG2 GLN A3295 11.613 5.803 -2.414 1.00 0.00 H new ATOM 0 HG3 GLN A3295 12.125 5.980 -4.080 1.00 0.00 H new ATOM 0 HE21 GLN A3295 10.902 7.682 -1.436 1.00 0.00 H new ATOM 0 HE22 GLN A3295 10.153 9.032 -2.295 1.00 0.00 H new ATOM 949 N ASP A3296 7.853 3.004 -2.794 1.00 0.00 N ATOM 950 CA ASP A3296 7.010 1.830 -2.978 1.00 0.00 C ATOM 951 C ASP A3296 5.560 2.151 -2.599 1.00 0.00 C ATOM 952 O ASP A3296 4.631 1.495 -3.075 1.00 0.00 O ATOM 953 CB ASP A3296 7.565 0.652 -2.169 1.00 0.00 C ATOM 954 CG ASP A3296 8.546 -0.158 -3.001 1.00 0.00 C ATOM 955 OD1 ASP A3296 8.109 -0.829 -3.961 1.00 0.00 O ATOM 956 OD2 ASP A3296 9.743 -0.203 -2.645 1.00 0.00 O ATOM 0 H ASP A3296 8.392 2.986 -1.928 1.00 0.00 H new ATOM 0 HA ASP A3296 7.016 1.542 -4.029 1.00 0.00 H new ATOM 0 HB2 ASP A3296 8.061 1.022 -1.272 1.00 0.00 H new ATOM 0 HB3 ASP A3296 6.746 0.013 -1.840 1.00 0.00 H new ATOM 961 N ILE A3297 5.343 3.137 -1.726 1.00 0.00 N ATOM 962 CA ILE A3297 4.032 3.583 -1.269 1.00 0.00 C ATOM 963 C ILE A3297 3.212 4.059 -2.473 1.00 0.00 C ATOM 964 O ILE A3297 2.049 3.676 -2.593 1.00 0.00 O ATOM 965 CB ILE A3297 4.197 4.648 -0.151 1.00 0.00 C ATOM 966 CG1 ILE A3297 3.875 4.102 1.258 1.00 0.00 C ATOM 967 CG2 ILE A3297 3.368 5.922 -0.374 1.00 0.00 C ATOM 968 CD1 ILE A3297 4.761 2.929 1.683 1.00 0.00 C ATOM 0 H ILE A3297 6.107 3.665 -1.304 1.00 0.00 H new ATOM 0 HA ILE A3297 3.473 2.763 -0.819 1.00 0.00 H new ATOM 0 HB ILE A3297 5.254 4.908 -0.209 1.00 0.00 H new ATOM 0 HG12 ILE A3297 3.983 4.908 1.983 1.00 0.00 H new ATOM 0 HG13 ILE A3297 2.832 3.786 1.286 1.00 0.00 H new ATOM 0 HG21 ILE A3297 3.538 6.616 0.449 1.00 0.00 H new ATOM 0 HG22 ILE A3297 3.667 6.391 -1.311 1.00 0.00 H new ATOM 0 HG23 ILE A3297 2.310 5.664 -0.419 1.00 0.00 H new ATOM 0 HD11 ILE A3297 4.475 2.601 2.682 1.00 0.00 H new ATOM 0 HD12 ILE A3297 4.635 2.105 0.981 1.00 0.00 H new ATOM 0 HD13 ILE A3297 5.804 3.245 1.689 1.00 0.00 H new ATOM 980 N GLU A3298 3.797 4.863 -3.371 1.00 0.00 N ATOM 981 CA GLU A3298 3.068 5.363 -4.536 1.00 0.00 C ATOM 982 C GLU A3298 2.640 4.204 -5.438 1.00 0.00 C ATOM 983 O GLU A3298 1.580 4.246 -6.050 1.00 0.00 O ATOM 984 CB GLU A3298 3.859 6.438 -5.310 1.00 0.00 C ATOM 985 CG GLU A3298 5.211 5.978 -5.899 1.00 0.00 C ATOM 986 CD GLU A3298 5.409 6.250 -7.402 1.00 0.00 C ATOM 987 OE1 GLU A3298 4.874 7.235 -7.957 1.00 0.00 O ATOM 988 OE2 GLU A3298 6.017 5.383 -8.078 1.00 0.00 O ATOM 0 H GLU A3298 4.766 5.177 -3.311 1.00 0.00 H new ATOM 0 HA GLU A3298 2.168 5.859 -4.173 1.00 0.00 H new ATOM 0 HB2 GLU A3298 3.235 6.806 -6.124 1.00 0.00 H new ATOM 0 HB3 GLU A3298 4.042 7.280 -4.642 1.00 0.00 H new ATOM 0 HG2 GLU A3298 6.013 6.472 -5.350 1.00 0.00 H new ATOM 0 HG3 GLU A3298 5.317 4.907 -5.725 1.00 0.00 H new ATOM 995 N SER A3299 3.447 3.150 -5.488 1.00 0.00 N ATOM 996 CA SER A3299 3.197 1.975 -6.307 1.00 0.00 C ATOM 997 C SER A3299 2.019 1.170 -5.746 1.00 0.00 C ATOM 998 O SER A3299 1.135 0.776 -6.508 1.00 0.00 O ATOM 999 CB SER A3299 4.503 1.167 -6.419 1.00 0.00 C ATOM 1000 OG SER A3299 4.361 0.031 -7.246 1.00 0.00 O ATOM 0 H SER A3299 4.310 3.090 -4.948 1.00 0.00 H new ATOM 0 HA SER A3299 2.900 2.260 -7.316 1.00 0.00 H new ATOM 0 HB2 SER A3299 5.291 1.807 -6.817 1.00 0.00 H new ATOM 0 HB3 SER A3299 4.820 0.852 -5.425 1.00 0.00 H new ATOM 0 HG SER A3299 5.213 -0.451 -7.290 1.00 0.00 H new ATOM 1006 N VAL A3300 1.956 0.931 -4.431 1.00 0.00 N ATOM 1007 CA VAL A3300 0.846 0.160 -3.863 1.00 0.00 C ATOM 1008 C VAL A3300 -0.419 1.016 -3.799 1.00 0.00 C ATOM 1009 O VAL A3300 -1.522 0.524 -4.034 1.00 0.00 O ATOM 1010 CB VAL A3300 1.235 -0.452 -2.503 1.00 0.00 C ATOM 1011 CG1 VAL A3300 1.428 0.596 -1.398 1.00 0.00 C ATOM 1012 CG2 VAL A3300 0.212 -1.493 -2.045 1.00 0.00 C ATOM 0 H VAL A3300 2.646 1.253 -3.752 1.00 0.00 H new ATOM 0 HA VAL A3300 0.624 -0.682 -4.519 1.00 0.00 H new ATOM 0 HB VAL A3300 2.198 -0.935 -2.669 1.00 0.00 H new ATOM 0 HG11 VAL A3300 1.700 0.098 -0.468 1.00 0.00 H new ATOM 0 HG12 VAL A3300 2.221 1.286 -1.686 1.00 0.00 H new ATOM 0 HG13 VAL A3300 0.500 1.149 -1.255 1.00 0.00 H new ATOM 0 HG21 VAL A3300 0.517 -1.904 -1.083 1.00 0.00 H new ATOM 0 HG22 VAL A3300 -0.766 -1.022 -1.945 1.00 0.00 H new ATOM 0 HG23 VAL A3300 0.155 -2.295 -2.781 1.00 0.00 H new ATOM 1022 N GLN A3301 -0.303 2.312 -3.497 1.00 0.00 N ATOM 1023 CA GLN A3301 -1.477 3.165 -3.420 1.00 0.00 C ATOM 1024 C GLN A3301 -2.107 3.319 -4.802 1.00 0.00 C ATOM 1025 O GLN A3301 -3.326 3.453 -4.881 1.00 0.00 O ATOM 1026 CB GLN A3301 -1.191 4.452 -2.652 1.00 0.00 C ATOM 1027 CG GLN A3301 -0.430 5.538 -3.410 1.00 0.00 C ATOM 1028 CD GLN A3301 -1.321 6.698 -3.844 1.00 0.00 C ATOM 1029 OE1 GLN A3301 -2.454 6.438 -4.470 1.00 0.00 O flip ATOM 1030 NE2 GLN A3301 -1.015 7.859 -3.580 1.00 0.00 N flip ATOM 0 H GLN A3301 0.582 2.782 -3.305 1.00 0.00 H new ATOM 0 HA GLN A3301 -2.250 2.691 -2.816 1.00 0.00 H new ATOM 0 HB2 GLN A3301 -2.141 4.870 -2.318 1.00 0.00 H new ATOM 0 HB3 GLN A3301 -0.623 4.197 -1.757 1.00 0.00 H new ATOM 0 HG2 GLN A3301 0.372 5.920 -2.779 1.00 0.00 H new ATOM 0 HG3 GLN A3301 0.039 5.098 -4.290 1.00 0.00 H new ATOM 0 HE21 GLN A3301 -0.139 8.058 -3.096 1.00 0.00 H new ATOM 0 HE22 GLN A3301 -1.637 8.623 -3.845 1.00 0.00 H new ATOM 1039 N LYS A3302 -1.300 3.282 -5.870 1.00 0.00 N ATOM 1040 CA LYS A3302 -1.769 3.355 -7.255 1.00 0.00 C ATOM 1041 C LYS A3302 -2.634 2.136 -7.544 1.00 0.00 C ATOM 1042 O LYS A3302 -3.604 2.204 -8.295 1.00 0.00 O ATOM 1043 CB LYS A3302 -0.588 3.299 -8.220 1.00 0.00 C ATOM 1044 CG LYS A3302 -0.114 4.688 -8.620 1.00 0.00 C ATOM 1045 CD LYS A3302 1.208 4.579 -9.386 1.00 0.00 C ATOM 1046 CE LYS A3302 2.074 5.731 -8.932 1.00 0.00 C ATOM 1047 NZ LYS A3302 3.376 5.762 -9.633 1.00 0.00 N ATOM 0 H LYS A3302 -0.286 3.199 -5.792 1.00 0.00 H new ATOM 0 HA LYS A3302 -2.321 4.286 -7.385 1.00 0.00 H new ATOM 0 HB2 LYS A3302 0.234 2.755 -7.756 1.00 0.00 H new ATOM 0 HB3 LYS A3302 -0.875 2.743 -9.112 1.00 0.00 H new ATOM 0 HG2 LYS A3302 -0.866 5.175 -9.240 1.00 0.00 H new ATOM 0 HG3 LYS A3302 0.018 5.308 -7.733 1.00 0.00 H new ATOM 0 HD2 LYS A3302 1.695 3.626 -9.182 1.00 0.00 H new ATOM 0 HD3 LYS A3302 1.036 4.625 -10.461 1.00 0.00 H new ATOM 0 HE2 LYS A3302 1.547 6.669 -9.106 1.00 0.00 H new ATOM 0 HE3 LYS A3302 2.243 5.655 -7.858 1.00 0.00 H new ATOM 0 HZ1 LYS A3302 3.915 6.597 -9.327 1.00 0.00 H new ATOM 0 HZ2 LYS A3302 3.913 4.901 -9.406 1.00 0.00 H new ATOM 0 HZ3 LYS A3302 3.217 5.810 -10.660 1.00 0.00 H new ATOM 1061 N GLU A3303 -2.243 1.011 -6.958 1.00 0.00 N ATOM 1062 CA GLU A3303 -2.943 -0.266 -7.105 1.00 0.00 C ATOM 1063 C GLU A3303 -4.363 -0.129 -6.538 1.00 0.00 C ATOM 1064 O GLU A3303 -5.336 -0.521 -7.173 1.00 0.00 O ATOM 1065 CB GLU A3303 -2.069 -1.419 -6.540 1.00 0.00 C ATOM 1066 CG GLU A3303 -2.689 -2.262 -5.413 1.00 0.00 C ATOM 1067 CD GLU A3303 -1.743 -3.283 -4.762 1.00 0.00 C ATOM 1068 OE1 GLU A3303 -0.559 -3.416 -5.145 1.00 0.00 O ATOM 1069 OE2 GLU A3303 -2.173 -3.931 -3.779 1.00 0.00 O ATOM 0 H GLU A3303 -1.420 0.956 -6.358 1.00 0.00 H new ATOM 0 HA GLU A3303 -3.088 -0.541 -8.150 1.00 0.00 H new ATOM 0 HB2 GLU A3303 -1.811 -2.086 -7.363 1.00 0.00 H new ATOM 0 HB3 GLU A3303 -1.136 -0.991 -6.172 1.00 0.00 H new ATOM 0 HG2 GLU A3303 -3.059 -1.589 -4.639 1.00 0.00 H new ATOM 0 HG3 GLU A3303 -3.552 -2.794 -5.812 1.00 0.00 H new ATOM 1076 N LEU A3304 -4.506 0.527 -5.394 1.00 0.00 N ATOM 1077 CA LEU A3304 -5.760 0.743 -4.693 1.00 0.00 C ATOM 1078 C LEU A3304 -6.654 1.878 -5.188 1.00 0.00 C ATOM 1079 O LEU A3304 -7.868 1.752 -5.102 1.00 0.00 O ATOM 1080 CB LEU A3304 -5.392 1.038 -3.241 1.00 0.00 C ATOM 1081 CG LEU A3304 -4.620 -0.105 -2.563 1.00 0.00 C ATOM 1082 CD1 LEU A3304 -4.093 0.379 -1.226 1.00 0.00 C ATOM 1083 CD2 LEU A3304 -5.455 -1.370 -2.432 1.00 0.00 C ATOM 0 H LEU A3304 -3.711 0.942 -4.908 1.00 0.00 H new ATOM 0 HA LEU A3304 -6.353 -0.157 -4.858 1.00 0.00 H new ATOM 0 HB2 LEU A3304 -4.790 1.946 -3.204 1.00 0.00 H new ATOM 0 HB3 LEU A3304 -6.303 1.237 -2.676 1.00 0.00 H new ATOM 0 HG LEU A3304 -3.776 -0.383 -3.195 1.00 0.00 H new ATOM 0 HD11 LEU A3304 -3.544 -0.426 -0.738 1.00 0.00 H new ATOM 0 HD12 LEU A3304 -3.428 1.228 -1.383 1.00 0.00 H new ATOM 0 HD13 LEU A3304 -4.928 0.683 -0.594 1.00 0.00 H new ATOM 0 HD21 LEU A3304 -4.864 -2.147 -1.947 1.00 0.00 H new ATOM 0 HD22 LEU A3304 -6.341 -1.161 -1.833 1.00 0.00 H new ATOM 0 HD23 LEU A3304 -5.758 -1.710 -3.422 1.00 0.00 H new ATOM 1095 N GLU A3305 -6.116 3.003 -5.656 1.00 0.00 N ATOM 1096 CA GLU A3305 -6.930 4.139 -6.129 1.00 0.00 C ATOM 1097 C GLU A3305 -7.855 3.771 -7.298 1.00 0.00 C ATOM 1098 O GLU A3305 -8.802 4.508 -7.578 1.00 0.00 O ATOM 1099 CB GLU A3305 -6.041 5.342 -6.503 1.00 0.00 C ATOM 1100 CG GLU A3305 -5.003 4.912 -7.539 1.00 0.00 C ATOM 1101 CD GLU A3305 -4.118 6.033 -8.085 1.00 0.00 C ATOM 1102 OE1 GLU A3305 -4.126 6.246 -9.319 1.00 0.00 O ATOM 1103 OE2 GLU A3305 -3.337 6.634 -7.312 1.00 0.00 O ATOM 0 H GLU A3305 -5.110 3.160 -5.721 1.00 0.00 H new ATOM 0 HA GLU A3305 -7.572 4.419 -5.294 1.00 0.00 H new ATOM 0 HB2 GLU A3305 -6.654 6.150 -6.902 1.00 0.00 H new ATOM 0 HB3 GLU A3305 -5.543 5.729 -5.614 1.00 0.00 H new ATOM 0 HG2 GLU A3305 -4.363 4.151 -7.093 1.00 0.00 H new ATOM 0 HG3 GLU A3305 -5.522 4.442 -8.375 1.00 0.00 H new ATOM 1110 N ASN A3306 -7.574 2.667 -7.994 1.00 0.00 N ATOM 1111 CA ASN A3306 -8.371 2.192 -9.118 1.00 0.00 C ATOM 1112 C ASN A3306 -9.329 1.080 -8.680 1.00 0.00 C ATOM 1113 O ASN A3306 -10.105 0.597 -9.516 1.00 0.00 O ATOM 1114 CB ASN A3306 -7.473 1.776 -10.296 1.00 0.00 C ATOM 1115 CG ASN A3306 -6.696 0.501 -10.029 1.00 0.00 C ATOM 1116 OD1 ASN A3306 -7.169 -0.615 -10.207 1.00 0.00 O ATOM 1117 ND2 ASN A3306 -5.453 0.622 -9.619 1.00 0.00 N ATOM 0 H ASN A3306 -6.773 2.071 -7.786 1.00 0.00 H new ATOM 0 HA ASN A3306 -8.991 3.014 -9.476 1.00 0.00 H new ATOM 0 HB2 ASN A3306 -8.089 1.640 -11.185 1.00 0.00 H new ATOM 0 HB3 ASN A3306 -6.773 2.582 -10.514 1.00 0.00 H new ATOM 0 HD21 ASN A3306 -4.888 -0.210 -9.451 1.00 0.00 H new ATOM 0 HD22 ASN A3306 -5.053 1.548 -9.469 1.00 0.00 H new ATOM 1124 N LEU A3307 -9.259 0.613 -7.425 1.00 0.00 N ATOM 1125 CA LEU A3307 -10.163 -0.423 -6.942 1.00 0.00 C ATOM 1126 C LEU A3307 -11.438 0.246 -6.430 1.00 0.00 C ATOM 1127 O LEU A3307 -11.412 1.405 -6.029 1.00 0.00 O ATOM 1128 CB LEU A3307 -9.501 -1.236 -5.813 1.00 0.00 C ATOM 1129 CG LEU A3307 -9.020 -2.668 -6.114 1.00 0.00 C ATOM 1130 CD1 LEU A3307 -9.532 -3.280 -7.410 1.00 0.00 C ATOM 1131 CD2 LEU A3307 -7.511 -2.791 -6.125 1.00 0.00 C ATOM 0 H LEU A3307 -8.585 0.940 -6.733 1.00 0.00 H new ATOM 0 HA LEU A3307 -10.401 -1.109 -7.755 1.00 0.00 H new ATOM 0 HB2 LEU A3307 -8.642 -0.667 -5.457 1.00 0.00 H new ATOM 0 HB3 LEU A3307 -10.210 -1.293 -4.987 1.00 0.00 H new ATOM 0 HG LEU A3307 -9.455 -3.226 -5.285 1.00 0.00 H new ATOM 0 HD11 LEU A3307 -9.131 -4.288 -7.520 1.00 0.00 H new ATOM 0 HD12 LEU A3307 -10.621 -3.323 -7.387 1.00 0.00 H new ATOM 0 HD13 LEU A3307 -9.211 -2.668 -8.253 1.00 0.00 H new ATOM 0 HD21 LEU A3307 -7.232 -3.822 -6.342 1.00 0.00 H new ATOM 0 HD22 LEU A3307 -7.098 -2.134 -6.890 1.00 0.00 H new ATOM 0 HD23 LEU A3307 -7.116 -2.506 -5.150 1.00 0.00 H new ATOM 1143 N SER A3308 -12.557 -0.480 -6.454 1.00 0.00 N ATOM 1144 CA SER A3308 -13.843 0.031 -5.990 1.00 0.00 C ATOM 1145 C SER A3308 -13.987 -0.180 -4.479 1.00 0.00 C ATOM 1146 O SER A3308 -13.163 -0.861 -3.868 1.00 0.00 O ATOM 1147 CB SER A3308 -14.965 -0.616 -6.806 1.00 0.00 C ATOM 1148 OG SER A3308 -14.780 -0.318 -8.185 1.00 0.00 O ATOM 0 H SER A3308 -12.595 -1.440 -6.797 1.00 0.00 H new ATOM 0 HA SER A3308 -13.907 1.107 -6.150 1.00 0.00 H new ATOM 0 HB2 SER A3308 -14.965 -1.695 -6.653 1.00 0.00 H new ATOM 0 HB3 SER A3308 -15.934 -0.246 -6.470 1.00 0.00 H new ATOM 0 HG SER A3308 -15.497 -0.733 -8.708 1.00 0.00 H new ATOM 1154 N GLU A3309 -15.014 0.393 -3.846 1.00 0.00 N ATOM 1155 CA GLU A3309 -15.244 0.264 -2.422 1.00 0.00 C ATOM 1156 C GLU A3309 -15.331 -1.201 -2.092 1.00 0.00 C ATOM 1157 O GLU A3309 -14.580 -1.631 -1.251 1.00 0.00 O ATOM 1158 CB GLU A3309 -16.547 0.975 -1.977 1.00 0.00 C ATOM 1159 CG GLU A3309 -16.280 2.279 -1.229 1.00 0.00 C ATOM 1160 CD GLU A3309 -17.506 3.167 -0.970 1.00 0.00 C ATOM 1161 OE1 GLU A3309 -17.746 3.551 0.202 1.00 0.00 O ATOM 1162 OE2 GLU A3309 -18.207 3.537 -1.941 1.00 0.00 O ATOM 0 H GLU A3309 -15.712 0.964 -4.322 1.00 0.00 H new ATOM 0 HA GLU A3309 -14.419 0.739 -1.891 1.00 0.00 H new ATOM 0 HB2 GLU A3309 -17.160 1.183 -2.854 1.00 0.00 H new ATOM 0 HB3 GLU A3309 -17.122 0.305 -1.337 1.00 0.00 H new ATOM 0 HG2 GLU A3309 -15.821 2.038 -0.270 1.00 0.00 H new ATOM 0 HG3 GLU A3309 -15.550 2.857 -1.795 1.00 0.00 H new ATOM 1169 N GLU A3310 -16.131 -1.994 -2.780 1.00 0.00 N ATOM 1170 CA GLU A3310 -16.317 -3.408 -2.500 1.00 0.00 C ATOM 1171 C GLU A3310 -14.989 -4.156 -2.444 1.00 0.00 C ATOM 1172 O GLU A3310 -14.952 -5.248 -1.884 1.00 0.00 O ATOM 1173 CB GLU A3310 -17.338 -4.010 -3.478 1.00 0.00 C ATOM 1174 CG GLU A3310 -16.985 -3.722 -4.940 1.00 0.00 C ATOM 1175 CD GLU A3310 -18.077 -4.212 -5.897 1.00 0.00 C ATOM 1176 OE1 GLU A3310 -19.200 -3.661 -5.873 1.00 0.00 O ATOM 1177 OE2 GLU A3310 -17.827 -5.153 -6.692 1.00 0.00 O ATOM 0 H GLU A3310 -16.685 -1.665 -3.571 1.00 0.00 H new ATOM 0 HA GLU A3310 -16.738 -3.522 -1.501 1.00 0.00 H new ATOM 0 HB2 GLU A3310 -17.391 -5.088 -3.325 1.00 0.00 H new ATOM 0 HB3 GLU A3310 -18.327 -3.608 -3.260 1.00 0.00 H new ATOM 0 HG2 GLU A3310 -16.839 -2.650 -5.074 1.00 0.00 H new ATOM 0 HG3 GLU A3310 -16.040 -4.206 -5.188 1.00 0.00 H new ATOM 1184 N GLU A3311 -13.968 -3.694 -3.157 1.00 0.00 N ATOM 1185 CA GLU A3311 -12.660 -4.305 -3.144 1.00 0.00 C ATOM 1186 C GLU A3311 -11.860 -3.893 -1.918 1.00 0.00 C ATOM 1187 O GLU A3311 -11.309 -4.726 -1.220 1.00 0.00 O ATOM 1188 CB GLU A3311 -11.914 -3.863 -4.396 1.00 0.00 C ATOM 1189 CG GLU A3311 -12.573 -4.400 -5.661 1.00 0.00 C ATOM 1190 CD GLU A3311 -12.095 -5.817 -6.044 1.00 0.00 C ATOM 1191 OE1 GLU A3311 -11.306 -6.443 -5.296 1.00 0.00 O ATOM 1192 OE2 GLU A3311 -12.588 -6.360 -7.066 1.00 0.00 O ATOM 0 H GLU A3311 -14.034 -2.877 -3.764 1.00 0.00 H new ATOM 0 HA GLU A3311 -12.781 -5.388 -3.117 1.00 0.00 H new ATOM 0 HB2 GLU A3311 -11.882 -2.774 -4.436 1.00 0.00 H new ATOM 0 HB3 GLU A3311 -10.882 -4.211 -4.347 1.00 0.00 H new ATOM 0 HG2 GLU A3311 -13.654 -4.414 -5.521 1.00 0.00 H new ATOM 0 HG3 GLU A3311 -12.367 -3.719 -6.487 1.00 0.00 H new ATOM 1199 N LEU A3312 -11.781 -2.570 -1.680 1.00 0.00 N ATOM 1200 CA LEU A3312 -11.030 -1.949 -0.595 1.00 0.00 C ATOM 1201 C LEU A3312 -11.711 -2.065 0.765 1.00 0.00 C ATOM 1202 O LEU A3312 -11.101 -2.492 1.751 1.00 0.00 O ATOM 1203 CB LEU A3312 -10.850 -0.442 -0.885 1.00 0.00 C ATOM 1204 CG LEU A3312 -10.376 -0.105 -2.306 1.00 0.00 C ATOM 1205 CD1 LEU A3312 -10.880 1.278 -2.698 1.00 0.00 C ATOM 1206 CD2 LEU A3312 -8.864 -0.264 -2.411 1.00 0.00 C ATOM 0 H LEU A3312 -12.260 -1.886 -2.266 1.00 0.00 H new ATOM 0 HA LEU A3312 -10.080 -2.481 -0.550 1.00 0.00 H new ATOM 0 HB2 LEU A3312 -11.799 0.063 -0.706 1.00 0.00 H new ATOM 0 HB3 LEU A3312 -10.133 -0.034 -0.173 1.00 0.00 H new ATOM 0 HG LEU A3312 -10.799 -0.806 -3.025 1.00 0.00 H new ATOM 0 HD11 LEU A3312 -10.543 1.516 -3.707 1.00 0.00 H new ATOM 0 HD12 LEU A3312 -11.969 1.290 -2.667 1.00 0.00 H new ATOM 0 HD13 LEU A3312 -10.489 2.019 -2.001 1.00 0.00 H new ATOM 0 HD21 LEU A3312 -8.542 -0.022 -3.424 1.00 0.00 H new ATOM 0 HD22 LEU A3312 -8.377 0.409 -1.705 1.00 0.00 H new ATOM 0 HD23 LEU A3312 -8.589 -1.293 -2.179 1.00 0.00 H new ATOM 1218 N LEU A3313 -12.970 -1.652 0.816 1.00 0.00 N ATOM 1219 CA LEU A3313 -13.884 -1.655 1.945 1.00 0.00 C ATOM 1220 C LEU A3313 -13.922 -3.077 2.459 1.00 0.00 C ATOM 1221 O LEU A3313 -13.835 -3.284 3.668 1.00 0.00 O ATOM 1222 CB LEU A3313 -15.276 -1.122 1.499 1.00 0.00 C ATOM 1223 CG LEU A3313 -16.408 -1.131 2.548 1.00 0.00 C ATOM 1224 CD1 LEU A3313 -17.107 -2.484 2.650 1.00 0.00 C ATOM 1225 CD2 LEU A3313 -16.039 -0.621 3.943 1.00 0.00 C ATOM 0 H LEU A3313 -13.419 -1.269 -0.016 1.00 0.00 H new ATOM 0 HA LEU A3313 -13.561 -0.994 2.749 1.00 0.00 H new ATOM 0 HB2 LEU A3313 -15.148 -0.097 1.150 1.00 0.00 H new ATOM 0 HB3 LEU A3313 -15.605 -1.712 0.643 1.00 0.00 H new ATOM 0 HG LEU A3313 -17.103 -0.394 2.146 1.00 0.00 H new ATOM 0 HD11 LEU A3313 -17.894 -2.431 3.403 1.00 0.00 H new ATOM 0 HD12 LEU A3313 -17.545 -2.741 1.685 1.00 0.00 H new ATOM 0 HD13 LEU A3313 -16.383 -3.247 2.935 1.00 0.00 H new ATOM 0 HD21 LEU A3313 -16.912 -0.675 4.593 1.00 0.00 H new ATOM 0 HD22 LEU A3313 -15.241 -1.238 4.356 1.00 0.00 H new ATOM 0 HD23 LEU A3313 -15.700 0.413 3.875 1.00 0.00 H new ATOM 1237 N ALA A3314 -13.964 -4.057 1.559 1.00 0.00 N ATOM 1238 CA ALA A3314 -14.012 -5.435 1.997 1.00 0.00 C ATOM 1239 C ALA A3314 -12.733 -5.849 2.731 1.00 0.00 C ATOM 1240 O ALA A3314 -12.787 -6.695 3.617 1.00 0.00 O ATOM 1241 CB ALA A3314 -14.205 -6.338 0.786 1.00 0.00 C ATOM 0 H ALA A3314 -13.966 -3.921 0.548 1.00 0.00 H new ATOM 0 HA ALA A3314 -14.845 -5.535 2.692 1.00 0.00 H new ATOM 0 HB1 ALA A3314 -14.242 -7.378 1.110 1.00 0.00 H new ATOM 0 HB2 ALA A3314 -15.138 -6.081 0.285 1.00 0.00 H new ATOM 0 HB3 ALA A3314 -13.373 -6.203 0.095 1.00 0.00 H new ATOM 1247 N MET A3315 -11.578 -5.252 2.416 1.00 0.00 N ATOM 1248 CA MET A3315 -10.303 -5.613 3.038 1.00 0.00 C ATOM 1249 C MET A3315 -10.165 -4.987 4.408 1.00 0.00 C ATOM 1250 O MET A3315 -9.897 -5.671 5.393 1.00 0.00 O ATOM 1251 CB MET A3315 -9.097 -5.146 2.205 1.00 0.00 C ATOM 1252 CG MET A3315 -9.244 -5.424 0.720 1.00 0.00 C ATOM 1253 SD MET A3315 -8.082 -6.636 0.042 1.00 0.00 S ATOM 1254 CE MET A3315 -9.263 -7.931 -0.420 1.00 0.00 C ATOM 0 H MET A3315 -11.503 -4.507 1.724 1.00 0.00 H new ATOM 0 HA MET A3315 -10.308 -6.701 3.106 1.00 0.00 H new ATOM 0 HB2 MET A3315 -8.955 -4.076 2.354 1.00 0.00 H new ATOM 0 HB3 MET A3315 -8.198 -5.641 2.572 1.00 0.00 H new ATOM 0 HG2 MET A3315 -10.259 -5.773 0.531 1.00 0.00 H new ATOM 0 HG3 MET A3315 -9.123 -4.486 0.178 1.00 0.00 H new ATOM 0 HE1 MET A3315 -8.727 -8.772 -0.861 1.00 0.00 H new ATOM 0 HE2 MET A3315 -9.799 -8.268 0.467 1.00 0.00 H new ATOM 0 HE3 MET A3315 -9.974 -7.534 -1.145 1.00 0.00 H new ATOM 1264 N LEU A3316 -10.297 -3.661 4.470 1.00 0.00 N ATOM 1265 CA LEU A3316 -10.181 -2.929 5.722 1.00 0.00 C ATOM 1266 C LEU A3316 -11.239 -3.371 6.725 1.00 0.00 C ATOM 1267 O LEU A3316 -10.944 -3.386 7.919 1.00 0.00 O ATOM 1268 CB LEU A3316 -10.232 -1.412 5.498 1.00 0.00 C ATOM 1269 CG LEU A3316 -11.478 -0.930 4.725 1.00 0.00 C ATOM 1270 CD1 LEU A3316 -12.617 -0.497 5.659 1.00 0.00 C ATOM 1271 CD2 LEU A3316 -11.135 0.277 3.847 1.00 0.00 C ATOM 0 H LEU A3316 -10.486 -3.073 3.658 1.00 0.00 H new ATOM 0 HA LEU A3316 -9.204 -3.166 6.143 1.00 0.00 H new ATOM 0 HB2 LEU A3316 -10.202 -0.912 6.466 1.00 0.00 H new ATOM 0 HB3 LEU A3316 -9.339 -1.106 4.953 1.00 0.00 H new ATOM 0 HG LEU A3316 -11.802 -1.780 4.124 1.00 0.00 H new ATOM 0 HD11 LEU A3316 -13.469 -0.167 5.065 1.00 0.00 H new ATOM 0 HD12 LEU A3316 -12.915 -1.339 6.284 1.00 0.00 H new ATOM 0 HD13 LEU A3316 -12.277 0.323 6.292 1.00 0.00 H new ATOM 0 HD21 LEU A3316 -12.026 0.602 3.310 1.00 0.00 H new ATOM 0 HD22 LEU A3316 -10.772 1.092 4.474 1.00 0.00 H new ATOM 0 HD23 LEU A3316 -10.362 -0.002 3.131 1.00 0.00 H new ATOM 1283 N ASN A3317 -12.423 -3.754 6.243 1.00 0.00 N ATOM 1284 CA ASN A3317 -13.518 -4.189 7.099 1.00 0.00 C ATOM 1285 C ASN A3317 -13.482 -5.695 7.380 1.00 0.00 C ATOM 1286 O ASN A3317 -14.038 -6.158 8.375 1.00 0.00 O ATOM 1287 CB ASN A3317 -14.845 -3.804 6.450 1.00 0.00 C ATOM 1288 CG ASN A3317 -15.912 -3.650 7.512 1.00 0.00 C ATOM 1289 OD1 ASN A3317 -16.756 -4.513 7.706 1.00 0.00 O ATOM 1290 ND2 ASN A3317 -15.884 -2.530 8.210 1.00 0.00 N ATOM 0 H ASN A3317 -12.645 -3.770 5.248 1.00 0.00 H new ATOM 0 HA ASN A3317 -13.409 -3.688 8.061 1.00 0.00 H new ATOM 0 HB2 ASN A3317 -14.732 -2.871 5.897 1.00 0.00 H new ATOM 0 HB3 ASN A3317 -15.143 -4.567 5.731 1.00 0.00 H new ATOM 0 HD21 ASN A3317 -16.580 -2.364 8.937 1.00 0.00 H new ATOM 0 HD22 ASN A3317 -15.166 -1.830 8.023 1.00 0.00 H new ATOM 1297 N GLY A3318 -12.808 -6.442 6.508 1.00 0.00 N ATOM 1298 CA GLY A3318 -12.617 -7.888 6.570 1.00 0.00 C ATOM 1299 C GLY A3318 -13.877 -8.688 6.257 1.00 0.00 C ATOM 1300 O GLY A3318 -14.344 -9.426 7.122 1.00 0.00 O ATOM 0 H GLY A3318 -12.355 -6.030 5.693 1.00 0.00 H new ATOM 0 HA2 GLY A3318 -11.833 -8.172 5.868 1.00 0.00 H new ATOM 0 HA3 GLY A3318 -12.265 -8.157 7.566 1.00 0.00 H new