USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 657 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 4 LYS NZ :NH3+ -174:sc= 0.379 (180deg=-8.63e-05) USER MOD Set 1.2: A 10 TYR OH : rot 180:sc= 0.259 USER MOD Set 2.1: A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.0048) USER MOD Set 2.2: A 6 SER OG : rot -170:sc= 0 USER MOD Single : A 8 SER OG : rot -26:sc= 0.303 USER MOD Single : A 11 THR OG1 : rot -105:sc= 0.957 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0211) USER MOD Single : A 23 CYS SG : rot 68:sc= 1.13 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0.574 K(o=0.57,f=-7.3!) USER MOD Single : A 35 LYS NZ :NH3+ 176:sc= 0.359 (180deg=0.216) USER MOD Single : A 44 THR OG1 : rot -161:sc= -1.76! USER MOD Single : A 46 HIS : no HD1:sc= -2.63! C(o=-2.6!,f=-6.5!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot -4:sc= 0.505 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0.677 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -139:sc= 0.833 (180deg=0.759) USER MOD Single : A 78 ASN : amide:sc= -0.28 K(o=-0.28,f=-3.3!) USER MOD Single : A 80 LYS NZ :NH3+ 179:sc= 0.915 (180deg=0.91) USER MOD Single : A 81 SER OG : rot 180:sc= -0.182 USER MOD Single : A 84 LYS NZ :NH3+ -173:sc=-0.00322 (180deg=-0.0694) USER MOD Single : A 85 GLN :FLIP amide:sc= -0.244 F(o=-1.4!,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 2 11.348 5.930 -6.324 1.00 0.00 N ATOM 2 CA GLU A 2 11.920 7.238 -6.657 1.00 0.00 C ATOM 3 C GLU A 2 11.722 8.159 -5.471 1.00 0.00 C ATOM 4 O GLU A 2 11.211 7.724 -4.444 1.00 0.00 O ATOM 5 CB GLU A 2 11.243 7.818 -7.893 1.00 0.00 C ATOM 6 CG GLU A 2 9.781 8.137 -7.705 1.00 0.00 C ATOM 7 CD GLU A 2 9.187 8.764 -8.937 1.00 0.00 C ATOM 8 OE1 GLU A 2 8.986 8.052 -9.943 1.00 0.00 O ATOM 9 OE2 GLU A 2 8.963 9.988 -8.946 1.00 0.00 O ATOM 0 HA GLU A 2 12.982 7.132 -6.876 1.00 0.00 H new ATOM 0 HB2 GLU A 2 11.767 8.727 -8.187 1.00 0.00 H new ATOM 0 HB3 GLU A 2 11.346 7.110 -8.716 1.00 0.00 H new ATOM 0 HG2 GLU A 2 9.237 7.224 -7.463 1.00 0.00 H new ATOM 0 HG3 GLU A 2 9.662 8.813 -6.858 1.00 0.00 H new ATOM 16 N LEU A 3 12.077 9.416 -5.594 1.00 0.00 N ATOM 17 CA LEU A 3 11.963 10.299 -4.466 1.00 0.00 C ATOM 18 C LEU A 3 10.681 11.104 -4.472 1.00 0.00 C ATOM 19 O LEU A 3 10.471 11.971 -5.320 1.00 0.00 O ATOM 20 CB LEU A 3 13.191 11.193 -4.294 1.00 0.00 C ATOM 21 CG LEU A 3 14.519 10.476 -4.009 1.00 0.00 C ATOM 22 CD1 LEU A 3 15.655 11.481 -3.916 1.00 0.00 C ATOM 23 CD2 LEU A 3 14.427 9.659 -2.725 1.00 0.00 C ATOM 0 H LEU A 3 12.440 9.841 -6.447 1.00 0.00 H new ATOM 0 HA LEU A 3 11.917 9.650 -3.592 1.00 0.00 H new ATOM 0 HB2 LEU A 3 13.311 11.788 -5.199 1.00 0.00 H new ATOM 0 HB3 LEU A 3 12.996 11.889 -3.478 1.00 0.00 H new ATOM 0 HG LEU A 3 14.723 9.795 -4.835 1.00 0.00 H new ATOM 0 HD11 LEU A 3 16.589 10.957 -3.714 1.00 0.00 H new ATOM 0 HD12 LEU A 3 15.740 12.023 -4.858 1.00 0.00 H new ATOM 0 HD13 LEU A 3 15.452 12.186 -3.109 1.00 0.00 H new ATOM 0 HD21 LEU A 3 15.379 9.160 -2.543 1.00 0.00 H new ATOM 0 HD22 LEU A 3 14.198 10.320 -1.889 1.00 0.00 H new ATOM 0 HD23 LEU A 3 13.639 8.913 -2.824 1.00 0.00 H new ATOM 35 N LYS A 4 9.840 10.818 -3.516 1.00 0.00 N ATOM 36 CA LYS A 4 8.585 11.518 -3.344 1.00 0.00 C ATOM 37 C LYS A 4 8.608 12.186 -1.988 1.00 0.00 C ATOM 38 O LYS A 4 9.506 11.920 -1.187 1.00 0.00 O ATOM 39 CB LYS A 4 7.368 10.577 -3.379 1.00 0.00 C ATOM 40 CG LYS A 4 7.244 9.648 -2.180 1.00 0.00 C ATOM 41 CD LYS A 4 8.143 8.449 -2.291 1.00 0.00 C ATOM 42 CE LYS A 4 8.130 7.647 -1.015 1.00 0.00 C ATOM 43 NZ LYS A 4 8.830 6.354 -1.177 1.00 0.00 N ATOM 0 H LYS A 4 10.003 10.086 -2.825 1.00 0.00 H new ATOM 0 HA LYS A 4 8.486 12.228 -4.165 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.462 11.180 -3.449 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.420 9.973 -4.285 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.486 10.198 -1.271 1.00 0.00 H new ATOM 0 HG3 LYS A 4 6.210 9.316 -2.086 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.819 7.823 -3.122 1.00 0.00 H new ATOM 0 HD3 LYS A 4 9.160 8.772 -2.512 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.604 8.221 -0.219 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.100 7.468 -0.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.714 5.786 -0.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.427 5.840 -1.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.842 6.526 -1.345 1.00 0.00 H new ATOM 57 N HIS A 5 7.640 13.019 -1.714 1.00 0.00 N ATOM 58 CA HIS A 5 7.558 13.637 -0.408 1.00 0.00 C ATOM 59 C HIS A 5 6.543 12.905 0.495 1.00 0.00 C ATOM 60 O HIS A 5 6.625 13.000 1.721 1.00 0.00 O ATOM 61 CB HIS A 5 7.229 15.155 -0.506 1.00 0.00 C ATOM 62 CG HIS A 5 5.844 15.482 -1.003 1.00 0.00 C ATOM 63 ND1 HIS A 5 5.498 15.560 -2.329 1.00 0.00 N ATOM 64 CD2 HIS A 5 4.707 15.723 -0.308 1.00 0.00 C ATOM 65 CE1 HIS A 5 4.195 15.827 -2.404 1.00 0.00 C ATOM 66 NE2 HIS A 5 3.665 15.937 -1.197 1.00 0.00 N ATOM 0 H HIS A 5 6.902 13.286 -2.366 1.00 0.00 H new ATOM 0 HA HIS A 5 8.542 13.547 0.053 1.00 0.00 H new ATOM 0 HB2 HIS A 5 7.359 15.603 0.479 1.00 0.00 H new ATOM 0 HB3 HIS A 5 7.956 15.626 -1.168 1.00 0.00 H new ATOM 0 HD2 HIS A 5 4.625 15.745 0.769 1.00 0.00 H new ATOM 0 HE1 HIS A 5 3.645 15.939 -3.327 1.00 0.00 H new ATOM 0 HE2 HIS A 5 2.692 16.138 -0.968 1.00 0.00 H new ATOM 74 N SER A 6 5.603 12.160 -0.099 1.00 0.00 N ATOM 75 CA SER A 6 4.559 11.522 0.700 1.00 0.00 C ATOM 76 C SER A 6 3.866 10.390 -0.056 1.00 0.00 C ATOM 77 O SER A 6 4.211 10.087 -1.204 1.00 0.00 O ATOM 78 CB SER A 6 3.508 12.576 1.067 1.00 0.00 C ATOM 79 OG SER A 6 2.895 13.101 -0.116 1.00 0.00 O ATOM 0 H SER A 6 5.546 11.989 -1.103 1.00 0.00 H new ATOM 0 HA SER A 6 5.029 11.098 1.588 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.749 12.133 1.712 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.975 13.383 1.632 1.00 0.00 H new ATOM 0 HG SER A 6 2.345 13.878 0.118 1.00 0.00 H new ATOM 85 N ILE A 7 2.874 9.785 0.605 1.00 0.00 N ATOM 86 CA ILE A 7 2.007 8.781 0.003 1.00 0.00 C ATOM 87 C ILE A 7 1.080 9.470 -1.013 1.00 0.00 C ATOM 88 O ILE A 7 0.678 8.883 -2.004 1.00 0.00 O ATOM 89 CB ILE A 7 1.136 8.040 1.093 1.00 0.00 C ATOM 90 CG1 ILE A 7 0.306 6.908 0.464 1.00 0.00 C ATOM 91 CG2 ILE A 7 0.219 9.011 1.846 1.00 0.00 C ATOM 92 CD1 ILE A 7 -0.516 6.129 1.471 1.00 0.00 C ATOM 0 H ILE A 7 2.653 9.984 1.581 1.00 0.00 H new ATOM 0 HA ILE A 7 2.630 8.036 -0.491 1.00 0.00 H new ATOM 0 HB ILE A 7 1.830 7.606 1.813 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.361 7.331 -0.287 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.976 6.222 -0.055 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.363 8.462 2.586 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.823 9.767 2.347 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.456 9.495 1.140 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.075 5.347 0.957 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.146 5.676 2.209 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.211 6.803 1.972 1.00 0.00 H new ATOM 104 N SER A 8 0.837 10.760 -0.784 1.00 0.00 N ATOM 105 CA SER A 8 -0.064 11.541 -1.596 1.00 0.00 C ATOM 106 C SER A 8 0.628 11.973 -2.884 1.00 0.00 C ATOM 107 O SER A 8 0.010 12.584 -3.756 1.00 0.00 O ATOM 108 CB SER A 8 -0.577 12.760 -0.795 1.00 0.00 C ATOM 109 OG SER A 8 -1.571 13.496 -1.511 1.00 0.00 O ATOM 0 H SER A 8 1.267 11.285 -0.023 1.00 0.00 H new ATOM 0 HA SER A 8 -0.925 10.930 -1.868 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.992 12.421 0.154 1.00 0.00 H new ATOM 0 HB3 SER A 8 0.260 13.417 -0.560 1.00 0.00 H new ATOM 0 HG SER A 8 -1.443 13.367 -2.474 1.00 0.00 H new ATOM 115 N ASP A 9 1.909 11.677 -2.987 1.00 0.00 N ATOM 116 CA ASP A 9 2.648 11.944 -4.206 1.00 0.00 C ATOM 117 C ASP A 9 2.350 10.818 -5.199 1.00 0.00 C ATOM 118 O ASP A 9 2.361 11.004 -6.424 1.00 0.00 O ATOM 119 CB ASP A 9 4.139 12.019 -3.909 1.00 0.00 C ATOM 120 CG ASP A 9 4.966 12.460 -5.098 1.00 0.00 C ATOM 121 OD1 ASP A 9 5.373 11.625 -5.895 1.00 0.00 O ATOM 122 OD2 ASP A 9 5.250 13.668 -5.218 1.00 0.00 O ATOM 0 H ASP A 9 2.460 11.252 -2.241 1.00 0.00 H new ATOM 0 HA ASP A 9 2.345 12.901 -4.631 1.00 0.00 H new ATOM 0 HB2 ASP A 9 4.303 12.712 -3.084 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.486 11.040 -3.577 1.00 0.00 H new ATOM 127 N TYR A 10 2.024 9.656 -4.652 1.00 0.00 N ATOM 128 CA TYR A 10 1.656 8.503 -5.441 1.00 0.00 C ATOM 129 C TYR A 10 0.204 8.620 -5.813 1.00 0.00 C ATOM 130 O TYR A 10 -0.611 9.073 -5.011 1.00 0.00 O ATOM 131 CB TYR A 10 1.840 7.188 -4.657 1.00 0.00 C ATOM 132 CG TYR A 10 3.264 6.752 -4.384 1.00 0.00 C ATOM 133 CD1 TYR A 10 4.021 7.341 -3.385 1.00 0.00 C ATOM 134 CD2 TYR A 10 3.842 5.717 -5.117 1.00 0.00 C ATOM 135 CE1 TYR A 10 5.299 6.923 -3.130 1.00 0.00 C ATOM 136 CE2 TYR A 10 5.134 5.288 -4.852 1.00 0.00 C ATOM 137 CZ TYR A 10 5.856 5.901 -3.854 1.00 0.00 C ATOM 138 OH TYR A 10 7.152 5.489 -3.563 1.00 0.00 O ATOM 0 H TYR A 10 2.009 9.492 -3.645 1.00 0.00 H new ATOM 0 HA TYR A 10 2.300 8.478 -6.320 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.325 7.287 -3.701 1.00 0.00 H new ATOM 0 HB3 TYR A 10 1.340 6.391 -5.207 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.596 8.142 -2.798 1.00 0.00 H new ATOM 0 HD2 TYR A 10 3.275 5.242 -5.904 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.874 7.403 -2.351 1.00 0.00 H new ATOM 0 HE2 TYR A 10 5.569 4.481 -5.423 1.00 0.00 H new ATOM 0 HH TYR A 10 7.404 4.755 -4.162 1.00 0.00 H new ATOM 148 N THR A 11 -0.127 8.247 -7.008 1.00 0.00 N ATOM 149 CA THR A 11 -1.496 8.221 -7.417 1.00 0.00 C ATOM 150 C THR A 11 -2.076 6.884 -6.986 1.00 0.00 C ATOM 151 O THR A 11 -1.308 6.006 -6.553 1.00 0.00 O ATOM 152 CB THR A 11 -1.596 8.377 -8.940 1.00 0.00 C ATOM 153 OG1 THR A 11 -0.801 7.372 -9.568 1.00 0.00 O ATOM 154 CG2 THR A 11 -1.120 9.755 -9.383 1.00 0.00 C ATOM 0 H THR A 11 0.538 7.954 -7.724 1.00 0.00 H new ATOM 0 HA THR A 11 -2.048 9.042 -6.960 1.00 0.00 H new ATOM 0 HB THR A 11 -2.640 8.267 -9.233 1.00 0.00 H new ATOM 0 HG1 THR A 11 0.021 7.776 -9.917 1.00 0.00 H new ATOM 0 HG21 THR A 11 -1.202 9.837 -10.467 1.00 0.00 H new ATOM 0 HG22 THR A 11 -1.737 10.521 -8.913 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.080 9.894 -9.086 1.00 0.00 H new ATOM 162 N GLU A 12 -3.388 6.699 -7.107 1.00 0.00 N ATOM 163 CA GLU A 12 -3.995 5.439 -6.700 1.00 0.00 C ATOM 164 C GLU A 12 -3.404 4.307 -7.516 1.00 0.00 C ATOM 165 O GLU A 12 -3.031 3.295 -6.975 1.00 0.00 O ATOM 166 CB GLU A 12 -5.526 5.450 -6.845 1.00 0.00 C ATOM 167 CG GLU A 12 -6.181 4.164 -6.333 1.00 0.00 C ATOM 168 CD GLU A 12 -7.675 4.127 -6.508 1.00 0.00 C ATOM 169 OE1 GLU A 12 -8.390 4.771 -5.721 1.00 0.00 O ATOM 170 OE2 GLU A 12 -8.170 3.420 -7.407 1.00 0.00 O ATOM 0 H GLU A 12 -4.039 7.392 -7.476 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.776 5.294 -5.642 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.932 6.301 -6.298 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -5.786 5.592 -7.894 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.743 3.313 -6.854 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -5.946 4.045 -5.275 1.00 0.00 H new ATOM 177 N ALA A 13 -3.251 4.540 -8.804 1.00 0.00 N ATOM 178 CA ALA A 13 -2.709 3.549 -9.719 1.00 0.00 C ATOM 179 C ALA A 13 -1.257 3.192 -9.383 1.00 0.00 C ATOM 180 O ALA A 13 -0.910 2.017 -9.333 1.00 0.00 O ATOM 181 CB ALA A 13 -2.823 4.039 -11.150 1.00 0.00 C ATOM 0 H ALA A 13 -3.499 5.424 -9.249 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.298 2.639 -9.607 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.414 3.288 -11.825 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.871 4.213 -11.393 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.266 4.969 -11.262 1.00 0.00 H new ATOM 187 N GLU A 14 -0.433 4.200 -9.113 1.00 0.00 N ATOM 188 CA GLU A 14 0.994 3.972 -8.817 1.00 0.00 C ATOM 189 C GLU A 14 1.190 3.391 -7.427 1.00 0.00 C ATOM 190 O GLU A 14 2.176 2.698 -7.163 1.00 0.00 O ATOM 191 CB GLU A 14 1.788 5.255 -8.981 1.00 0.00 C ATOM 192 CG GLU A 14 1.723 5.806 -10.386 1.00 0.00 C ATOM 193 CD GLU A 14 2.333 7.166 -10.500 1.00 0.00 C ATOM 194 OE1 GLU A 14 1.742 8.135 -9.963 1.00 0.00 O ATOM 195 OE2 GLU A 14 3.409 7.303 -11.109 1.00 0.00 O ATOM 0 H GLU A 14 -0.718 5.179 -9.091 1.00 0.00 H new ATOM 0 HA GLU A 14 1.367 3.241 -9.534 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.410 6.003 -8.284 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.829 5.070 -8.716 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.236 5.124 -11.064 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.682 5.851 -10.707 1.00 0.00 H new ATOM 202 N PHE A 15 0.267 3.680 -6.541 1.00 0.00 N ATOM 203 CA PHE A 15 0.281 3.096 -5.222 1.00 0.00 C ATOM 204 C PHE A 15 -0.241 1.693 -5.309 1.00 0.00 C ATOM 205 O PHE A 15 0.185 0.829 -4.605 1.00 0.00 O ATOM 206 CB PHE A 15 -0.529 3.919 -4.230 1.00 0.00 C ATOM 207 CG PHE A 15 -0.487 3.370 -2.852 1.00 0.00 C ATOM 208 CD1 PHE A 15 0.528 3.723 -1.992 1.00 0.00 C ATOM 209 CD2 PHE A 15 -1.465 2.489 -2.415 1.00 0.00 C ATOM 210 CE1 PHE A 15 0.570 3.212 -0.726 1.00 0.00 C ATOM 211 CE2 PHE A 15 -1.428 1.980 -1.152 1.00 0.00 C ATOM 212 CZ PHE A 15 -0.412 2.340 -0.307 1.00 0.00 C ATOM 0 H PHE A 15 -0.508 4.321 -6.712 1.00 0.00 H new ATOM 0 HA PHE A 15 1.306 3.085 -4.852 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -0.151 4.941 -4.220 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.565 3.966 -4.565 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.296 4.408 -2.320 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -2.264 2.204 -3.083 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.370 3.490 -0.056 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -2.195 1.297 -0.819 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.380 1.938 0.695 1.00 0.00 H new ATOM 222 N LEU A 16 -1.147 1.476 -6.184 1.00 0.00 N ATOM 223 CA LEU A 16 -1.687 0.164 -6.404 1.00 0.00 C ATOM 224 C LEU A 16 -0.622 -0.696 -7.054 1.00 0.00 C ATOM 225 O LEU A 16 -0.610 -1.918 -6.931 1.00 0.00 O ATOM 226 CB LEU A 16 -2.967 0.309 -7.218 1.00 0.00 C ATOM 227 CG LEU A 16 -3.870 -0.856 -7.260 1.00 0.00 C ATOM 228 CD1 LEU A 16 -5.312 -0.403 -7.305 1.00 0.00 C ATOM 229 CD2 LEU A 16 -3.604 -1.668 -8.434 1.00 0.00 C ATOM 0 H LEU A 16 -1.547 2.201 -6.780 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.960 -0.341 -5.478 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.526 1.157 -6.822 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.690 0.560 -8.242 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.694 -1.445 -6.360 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.966 -1.274 -7.336 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.536 0.188 -6.417 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.475 0.205 -8.195 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.281 -2.522 -8.446 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.758 -1.070 -9.332 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.573 -2.022 -8.406 1.00 0.00 H new ATOM 241 N GLU A 17 0.282 -0.046 -7.703 1.00 0.00 N ATOM 242 CA GLU A 17 1.448 -0.701 -8.186 1.00 0.00 C ATOM 243 C GLU A 17 2.419 -1.044 -7.042 1.00 0.00 C ATOM 244 O GLU A 17 3.260 -1.895 -7.226 1.00 0.00 O ATOM 245 CB GLU A 17 2.168 0.041 -9.311 1.00 0.00 C ATOM 246 CG GLU A 17 1.402 0.091 -10.615 1.00 0.00 C ATOM 247 CD GLU A 17 2.237 0.633 -11.744 1.00 0.00 C ATOM 248 OE1 GLU A 17 2.967 -0.169 -12.399 1.00 0.00 O ATOM 249 OE2 GLU A 17 2.193 1.841 -12.012 1.00 0.00 O ATOM 0 H GLU A 17 0.234 0.951 -7.913 1.00 0.00 H new ATOM 0 HA GLU A 17 1.086 -1.628 -8.630 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.373 1.061 -8.985 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.131 -0.437 -9.487 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.056 -0.911 -10.870 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.515 0.713 -10.490 1.00 0.00 H new ATOM 256 N PHE A 18 2.302 -0.363 -5.855 1.00 0.00 N ATOM 257 CA PHE A 18 3.160 -0.682 -4.670 1.00 0.00 C ATOM 258 C PHE A 18 3.001 -2.133 -4.396 1.00 0.00 C ATOM 259 O PHE A 18 3.950 -2.902 -4.396 1.00 0.00 O ATOM 260 CB PHE A 18 2.782 0.169 -3.337 1.00 0.00 C ATOM 261 CG PHE A 18 2.010 -0.563 -2.143 1.00 0.00 C ATOM 262 CD1 PHE A 18 2.710 -1.202 -1.116 1.00 0.00 C ATOM 263 CD2 PHE A 18 0.608 -0.596 -2.067 1.00 0.00 C ATOM 264 CE1 PHE A 18 2.047 -1.844 -0.072 1.00 0.00 C ATOM 265 CE2 PHE A 18 -0.050 -1.250 -1.005 1.00 0.00 C ATOM 266 CZ PHE A 18 0.677 -1.865 -0.021 1.00 0.00 C ATOM 0 H PHE A 18 1.636 0.393 -5.698 1.00 0.00 H new ATOM 0 HA PHE A 18 4.188 -0.411 -4.910 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.709 0.573 -2.931 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.174 1.018 -3.650 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.790 -1.198 -1.132 1.00 0.00 H new ATOM 0 HD2 PHE A 18 0.024 -0.112 -2.835 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.618 -2.330 0.705 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.129 -1.266 -0.968 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.173 -2.365 0.793 1.00 0.00 H new ATOM 276 N VAL A 19 1.770 -2.494 -4.268 1.00 0.00 N ATOM 277 CA VAL A 19 1.400 -3.804 -3.902 1.00 0.00 C ATOM 278 C VAL A 19 1.617 -4.779 -5.039 1.00 0.00 C ATOM 279 O VAL A 19 2.097 -5.879 -4.813 1.00 0.00 O ATOM 280 CB VAL A 19 -0.042 -3.843 -3.328 1.00 0.00 C ATOM 281 CG1 VAL A 19 -1.079 -3.403 -4.328 1.00 0.00 C ATOM 282 CG2 VAL A 19 -0.368 -5.177 -2.702 1.00 0.00 C ATOM 0 H VAL A 19 0.980 -1.867 -4.420 1.00 0.00 H new ATOM 0 HA VAL A 19 2.057 -4.131 -3.096 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.074 -3.107 -2.524 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.068 -3.451 -3.872 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.872 -2.379 -4.640 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.048 -4.060 -5.197 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.386 -5.158 -2.314 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.280 -5.962 -3.453 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.327 -5.376 -1.886 1.00 0.00 H new ATOM 292 N LYS A 20 1.301 -4.364 -6.262 1.00 0.00 N ATOM 293 CA LYS A 20 1.535 -5.211 -7.424 1.00 0.00 C ATOM 294 C LYS A 20 3.005 -5.533 -7.552 1.00 0.00 C ATOM 295 O LYS A 20 3.358 -6.655 -7.836 1.00 0.00 O ATOM 296 CB LYS A 20 1.090 -4.567 -8.718 1.00 0.00 C ATOM 297 CG LYS A 20 -0.390 -4.398 -8.864 1.00 0.00 C ATOM 298 CD LYS A 20 -0.701 -3.909 -10.238 1.00 0.00 C ATOM 299 CE LYS A 20 -2.175 -3.773 -10.495 1.00 0.00 C ATOM 300 NZ LYS A 20 -2.449 -3.364 -11.885 1.00 0.00 N ATOM 0 H LYS A 20 0.887 -3.456 -6.472 1.00 0.00 H new ATOM 0 HA LYS A 20 0.946 -6.113 -7.262 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.562 -3.588 -8.800 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.456 -5.168 -9.550 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.895 -5.346 -8.681 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.761 -3.691 -8.122 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.221 -2.942 -10.391 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.273 -4.596 -10.968 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.670 -4.723 -10.291 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.598 -3.039 -9.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.476 -3.280 -12.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.998 -2.446 -12.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.067 -4.077 -12.538 1.00 0.00 H new ATOM 314 N LYS A 21 3.852 -4.532 -7.328 1.00 0.00 N ATOM 315 CA LYS A 21 5.294 -4.696 -7.402 1.00 0.00 C ATOM 316 C LYS A 21 5.743 -5.690 -6.355 1.00 0.00 C ATOM 317 O LYS A 21 6.517 -6.571 -6.647 1.00 0.00 O ATOM 318 CB LYS A 21 6.016 -3.350 -7.215 1.00 0.00 C ATOM 319 CG LYS A 21 7.534 -3.425 -7.364 1.00 0.00 C ATOM 320 CD LYS A 21 8.210 -2.076 -7.105 1.00 0.00 C ATOM 321 CE LYS A 21 7.760 -0.989 -8.086 1.00 0.00 C ATOM 322 NZ LYS A 21 8.095 -1.307 -9.491 1.00 0.00 N ATOM 0 H LYS A 21 3.554 -3.586 -7.090 1.00 0.00 H new ATOM 0 HA LYS A 21 5.553 -5.074 -8.391 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.626 -2.638 -7.942 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.779 -2.958 -6.226 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.929 -4.166 -6.669 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.782 -3.766 -8.369 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.990 -1.754 -6.087 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.291 -2.197 -7.175 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.683 -0.850 -7.997 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.227 -0.043 -7.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.860 -0.495 -10.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.112 -1.513 -9.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.550 -2.137 -9.799 1.00 0.00 H new ATOM 336 N ILE A 22 5.210 -5.562 -5.151 1.00 0.00 N ATOM 337 CA ILE A 22 5.516 -6.498 -4.071 1.00 0.00 C ATOM 338 C ILE A 22 5.053 -7.913 -4.461 1.00 0.00 C ATOM 339 O ILE A 22 5.688 -8.900 -4.142 1.00 0.00 O ATOM 340 CB ILE A 22 4.839 -6.057 -2.734 1.00 0.00 C ATOM 341 CG1 ILE A 22 5.298 -4.646 -2.359 1.00 0.00 C ATOM 342 CG2 ILE A 22 5.173 -7.034 -1.606 1.00 0.00 C ATOM 343 CD1 ILE A 22 4.638 -4.075 -1.136 1.00 0.00 C ATOM 0 H ILE A 22 4.561 -4.819 -4.892 1.00 0.00 H new ATOM 0 HA ILE A 22 6.595 -6.502 -3.915 1.00 0.00 H new ATOM 0 HB ILE A 22 3.759 -6.058 -2.878 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.376 -4.660 -2.200 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.108 -3.981 -3.202 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.690 -6.706 -0.685 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.815 -8.029 -1.869 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.253 -7.064 -1.459 1.00 0.00 H new ATOM 0 HD11 ILE A 22 5.025 -3.074 -0.948 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.561 -4.024 -1.294 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.849 -4.713 -0.278 1.00 0.00 H new ATOM 355 N CYS A 23 3.959 -7.985 -5.173 1.00 0.00 N ATOM 356 CA CYS A 23 3.435 -9.237 -5.641 1.00 0.00 C ATOM 357 C CYS A 23 4.311 -9.840 -6.771 1.00 0.00 C ATOM 358 O CYS A 23 4.849 -10.933 -6.627 1.00 0.00 O ATOM 359 CB CYS A 23 1.991 -9.031 -6.110 1.00 0.00 C ATOM 360 SG CYS A 23 0.861 -8.517 -4.799 1.00 0.00 S ATOM 0 H CYS A 23 3.406 -7.172 -5.445 1.00 0.00 H new ATOM 0 HA CYS A 23 3.450 -9.953 -4.820 1.00 0.00 H new ATOM 0 HB2 CYS A 23 1.980 -8.281 -6.900 1.00 0.00 H new ATOM 0 HB3 CYS A 23 1.626 -9.960 -6.547 1.00 0.00 H new ATOM 0 HG CYS A 23 1.171 -7.318 -4.405 1.00 0.00 H new ATOM 366 N ARG A 24 4.489 -9.097 -7.857 1.00 0.00 N ATOM 367 CA ARG A 24 5.196 -9.589 -9.052 1.00 0.00 C ATOM 368 C ARG A 24 6.713 -9.616 -8.901 1.00 0.00 C ATOM 369 O ARG A 24 7.356 -10.601 -9.205 1.00 0.00 O ATOM 370 CB ARG A 24 4.836 -8.756 -10.288 1.00 0.00 C ATOM 371 CG ARG A 24 5.167 -7.298 -10.179 1.00 0.00 C ATOM 372 CD ARG A 24 4.900 -6.575 -11.451 1.00 0.00 C ATOM 373 NE ARG A 24 5.871 -6.890 -12.508 1.00 0.00 N ATOM 374 CZ ARG A 24 5.921 -6.283 -13.709 1.00 0.00 C ATOM 375 NH1 ARG A 24 4.963 -5.430 -14.081 1.00 0.00 N ATOM 376 NH2 ARG A 24 6.904 -6.565 -14.545 1.00 0.00 N ATOM 0 H ARG A 24 4.152 -8.138 -7.942 1.00 0.00 H new ATOM 0 HA ARG A 24 4.860 -10.619 -9.177 1.00 0.00 H new ATOM 0 HB2 ARG A 24 5.357 -9.169 -11.152 1.00 0.00 H new ATOM 0 HB3 ARG A 24 3.768 -8.859 -10.480 1.00 0.00 H new ATOM 0 HG2 ARG A 24 4.580 -6.851 -9.377 1.00 0.00 H new ATOM 0 HG3 ARG A 24 6.217 -7.183 -9.909 1.00 0.00 H new ATOM 0 HD2 ARG A 24 3.898 -6.824 -11.800 1.00 0.00 H new ATOM 0 HD3 ARG A 24 4.914 -5.502 -11.262 1.00 0.00 H new ATOM 0 HE ARG A 24 6.557 -7.621 -12.318 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.184 -5.233 -13.453 1.00 0.00 H new ATOM 0 HH12 ARG A 24 5.011 -4.976 -14.993 1.00 0.00 H new ATOM 0 HH21 ARG A 24 7.621 -7.240 -14.280 1.00 0.00 H new ATOM 0 HH22 ARG A 24 6.946 -6.108 -15.456 1.00 0.00 H new ATOM 390 N ALA A 25 7.243 -8.561 -8.366 1.00 0.00 N ATOM 391 CA ALA A 25 8.658 -8.287 -8.329 1.00 0.00 C ATOM 392 C ALA A 25 9.182 -8.506 -6.936 1.00 0.00 C ATOM 393 O ALA A 25 10.237 -7.981 -6.586 1.00 0.00 O ATOM 394 CB ALA A 25 8.906 -6.853 -8.770 1.00 0.00 C ATOM 0 H ALA A 25 6.684 -7.832 -7.923 1.00 0.00 H new ATOM 0 HA ALA A 25 9.180 -8.962 -9.007 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.975 -6.644 -8.743 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.535 -6.715 -9.786 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.386 -6.171 -8.098 1.00 0.00 H new ATOM 400 N GLU A 26 8.436 -9.336 -6.195 1.00 0.00 N ATOM 401 CA GLU A 26 8.562 -9.597 -4.754 1.00 0.00 C ATOM 402 C GLU A 26 9.935 -9.285 -4.155 1.00 0.00 C ATOM 403 O GLU A 26 10.072 -8.308 -3.406 1.00 0.00 O ATOM 404 CB GLU A 26 8.103 -11.054 -4.446 1.00 0.00 C ATOM 405 CG GLU A 26 8.701 -12.130 -5.370 1.00 0.00 C ATOM 406 CD GLU A 26 8.217 -13.528 -5.049 1.00 0.00 C ATOM 407 OE1 GLU A 26 8.776 -14.155 -4.120 1.00 0.00 O ATOM 408 OE2 GLU A 26 7.269 -14.027 -5.717 1.00 0.00 O ATOM 0 H GLU A 26 7.680 -9.878 -6.612 1.00 0.00 H new ATOM 0 HA GLU A 26 7.901 -8.889 -4.254 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.367 -11.293 -3.416 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.016 -11.099 -4.515 1.00 0.00 H new ATOM 0 HG2 GLU A 26 8.448 -11.893 -6.404 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.788 -12.102 -5.293 1.00 0.00 H new ATOM 415 N GLY A 27 10.940 -10.022 -4.507 1.00 0.00 N ATOM 416 CA GLY A 27 12.201 -9.724 -3.945 1.00 0.00 C ATOM 417 C GLY A 27 13.266 -10.689 -4.308 1.00 0.00 C ATOM 418 O GLY A 27 12.998 -11.870 -4.566 1.00 0.00 O ATOM 0 H GLY A 27 10.909 -10.806 -5.158 1.00 0.00 H new ATOM 0 HA2 GLY A 27 12.504 -8.727 -4.265 1.00 0.00 H new ATOM 0 HA3 GLY A 27 12.106 -9.695 -2.860 1.00 0.00 H new ATOM 422 N ALA A 28 14.478 -10.183 -4.366 1.00 0.00 N ATOM 423 CA ALA A 28 15.673 -10.986 -4.596 1.00 0.00 C ATOM 424 C ALA A 28 15.827 -11.939 -3.435 1.00 0.00 C ATOM 425 O ALA A 28 16.074 -13.134 -3.590 1.00 0.00 O ATOM 426 CB ALA A 28 16.882 -10.075 -4.641 1.00 0.00 C ATOM 0 H ALA A 28 14.671 -9.188 -4.254 1.00 0.00 H new ATOM 0 HA ALA A 28 15.588 -11.532 -5.536 1.00 0.00 H new ATOM 0 HB1 ALA A 28 17.779 -10.669 -4.813 1.00 0.00 H new ATOM 0 HB2 ALA A 28 16.764 -9.354 -5.450 1.00 0.00 H new ATOM 0 HB3 ALA A 28 16.974 -9.545 -3.693 1.00 0.00 H new ATOM 432 N THR A 29 15.646 -11.377 -2.295 1.00 0.00 N ATOM 433 CA THR A 29 15.692 -12.039 -1.049 1.00 0.00 C ATOM 434 C THR A 29 14.420 -11.609 -0.357 1.00 0.00 C ATOM 435 O THR A 29 13.801 -10.619 -0.773 1.00 0.00 O ATOM 436 CB THR A 29 16.930 -11.535 -0.265 1.00 0.00 C ATOM 437 OG1 THR A 29 18.066 -11.459 -1.157 1.00 0.00 O ATOM 438 CG2 THR A 29 17.279 -12.468 0.885 1.00 0.00 C ATOM 0 H THR A 29 15.450 -10.380 -2.206 1.00 0.00 H new ATOM 0 HA THR A 29 15.768 -13.123 -1.131 1.00 0.00 H new ATOM 0 HB THR A 29 16.691 -10.553 0.142 1.00 0.00 H new ATOM 0 HG1 THR A 29 18.849 -11.139 -0.663 1.00 0.00 H new ATOM 0 HG21 THR A 29 18.152 -12.084 1.413 1.00 0.00 H new ATOM 0 HG22 THR A 29 16.436 -12.528 1.573 1.00 0.00 H new ATOM 0 HG23 THR A 29 17.500 -13.461 0.494 1.00 0.00 H new ATOM 446 N GLU A 30 14.022 -12.311 0.650 1.00 0.00 N ATOM 447 CA GLU A 30 12.805 -12.011 1.375 1.00 0.00 C ATOM 448 C GLU A 30 12.918 -10.622 2.049 1.00 0.00 C ATOM 449 O GLU A 30 11.936 -9.919 2.253 1.00 0.00 O ATOM 450 CB GLU A 30 12.579 -13.116 2.396 1.00 0.00 C ATOM 451 CG GLU A 30 11.281 -13.027 3.168 1.00 0.00 C ATOM 452 CD GLU A 30 10.076 -13.151 2.272 1.00 0.00 C ATOM 453 OE1 GLU A 30 9.633 -14.273 2.006 1.00 0.00 O ATOM 454 OE2 GLU A 30 9.546 -12.135 1.821 1.00 0.00 O ATOM 0 H GLU A 30 14.529 -13.121 1.007 1.00 0.00 H new ATOM 0 HA GLU A 30 11.951 -11.971 0.699 1.00 0.00 H new ATOM 0 HB2 GLU A 30 12.611 -14.076 1.881 1.00 0.00 H new ATOM 0 HB3 GLU A 30 13.406 -13.107 3.106 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.254 -13.814 3.922 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.241 -12.076 3.699 1.00 0.00 H new ATOM 461 N GLU A 31 14.142 -10.218 2.320 1.00 0.00 N ATOM 462 CA GLU A 31 14.409 -8.925 2.910 1.00 0.00 C ATOM 463 C GLU A 31 14.234 -7.789 1.871 1.00 0.00 C ATOM 464 O GLU A 31 14.049 -6.620 2.210 1.00 0.00 O ATOM 465 CB GLU A 31 15.802 -8.943 3.579 1.00 0.00 C ATOM 466 CG GLU A 31 17.001 -9.279 2.676 1.00 0.00 C ATOM 467 CD GLU A 31 17.444 -8.136 1.818 1.00 0.00 C ATOM 468 OE1 GLU A 31 18.062 -7.186 2.340 1.00 0.00 O ATOM 469 OE2 GLU A 31 17.175 -8.151 0.618 1.00 0.00 O ATOM 0 H GLU A 31 14.976 -10.776 2.138 1.00 0.00 H new ATOM 0 HA GLU A 31 13.678 -8.716 3.691 1.00 0.00 H new ATOM 0 HB2 GLU A 31 15.977 -7.964 4.026 1.00 0.00 H new ATOM 0 HB3 GLU A 31 15.778 -9.666 4.394 1.00 0.00 H new ATOM 0 HG2 GLU A 31 17.836 -9.599 3.299 1.00 0.00 H new ATOM 0 HG3 GLU A 31 16.739 -10.122 2.037 1.00 0.00 H new ATOM 476 N ASP A 32 14.306 -8.152 0.610 1.00 0.00 N ATOM 477 CA ASP A 32 14.118 -7.217 -0.499 1.00 0.00 C ATOM 478 C ASP A 32 12.636 -6.909 -0.651 1.00 0.00 C ATOM 479 O ASP A 32 12.248 -5.793 -0.964 1.00 0.00 O ATOM 480 CB ASP A 32 14.744 -7.782 -1.784 1.00 0.00 C ATOM 481 CG ASP A 32 14.603 -6.891 -2.996 1.00 0.00 C ATOM 482 OD1 ASP A 32 15.048 -5.730 -2.968 1.00 0.00 O ATOM 483 OD2 ASP A 32 14.097 -7.370 -4.024 1.00 0.00 O ATOM 0 H ASP A 32 14.498 -9.109 0.313 1.00 0.00 H new ATOM 0 HA ASP A 32 14.630 -6.277 -0.291 1.00 0.00 H new ATOM 0 HB2 ASP A 32 15.803 -7.966 -1.606 1.00 0.00 H new ATOM 0 HB3 ASP A 32 14.285 -8.746 -2.003 1.00 0.00 H new ATOM 488 N ASP A 33 11.828 -7.917 -0.360 1.00 0.00 N ATOM 489 CA ASP A 33 10.357 -7.806 -0.299 1.00 0.00 C ATOM 490 C ASP A 33 10.003 -6.843 0.819 1.00 0.00 C ATOM 491 O ASP A 33 9.376 -5.798 0.604 1.00 0.00 O ATOM 492 CB ASP A 33 9.776 -9.205 0.016 1.00 0.00 C ATOM 493 CG ASP A 33 8.260 -9.278 0.235 1.00 0.00 C ATOM 494 OD1 ASP A 33 7.775 -8.989 1.364 1.00 0.00 O ATOM 495 OD2 ASP A 33 7.552 -9.747 -0.677 1.00 0.00 O ATOM 0 H ASP A 33 12.170 -8.856 -0.154 1.00 0.00 H new ATOM 0 HA ASP A 33 9.950 -7.444 -1.243 1.00 0.00 H new ATOM 0 HB2 ASP A 33 10.036 -9.876 -0.803 1.00 0.00 H new ATOM 0 HB3 ASP A 33 10.269 -9.587 0.910 1.00 0.00 H new ATOM 500 N ASN A 34 10.508 -7.178 1.993 1.00 0.00 N ATOM 501 CA ASN A 34 10.305 -6.436 3.225 1.00 0.00 C ATOM 502 C ASN A 34 10.633 -4.955 3.094 1.00 0.00 C ATOM 503 O ASN A 34 9.858 -4.119 3.526 1.00 0.00 O ATOM 504 CB ASN A 34 11.172 -7.044 4.300 1.00 0.00 C ATOM 505 CG ASN A 34 11.123 -6.315 5.627 1.00 0.00 C ATOM 506 OD1 ASN A 34 10.092 -5.816 6.051 1.00 0.00 O ATOM 507 ND2 ASN A 34 12.251 -6.215 6.264 1.00 0.00 N ATOM 0 H ASN A 34 11.092 -8.005 2.119 1.00 0.00 H new ATOM 0 HA ASN A 34 9.247 -6.503 3.478 1.00 0.00 H new ATOM 0 HB2 ASN A 34 10.866 -8.078 4.456 1.00 0.00 H new ATOM 0 HB3 ASN A 34 12.204 -7.066 3.949 1.00 0.00 H new ATOM 0 HD21 ASN A 34 12.294 -5.707 7.148 1.00 0.00 H new ATOM 0 HD22 ASN A 34 13.093 -6.644 5.881 1.00 0.00 H new ATOM 514 N LYS A 35 11.767 -4.621 2.484 1.00 0.00 N ATOM 515 CA LYS A 35 12.160 -3.222 2.390 1.00 0.00 C ATOM 516 C LYS A 35 11.182 -2.391 1.558 1.00 0.00 C ATOM 517 O LYS A 35 10.985 -1.202 1.851 1.00 0.00 O ATOM 518 CB LYS A 35 13.608 -3.028 1.936 1.00 0.00 C ATOM 519 CG LYS A 35 13.935 -3.583 0.569 1.00 0.00 C ATOM 520 CD LYS A 35 15.343 -3.209 0.143 1.00 0.00 C ATOM 521 CE LYS A 35 16.429 -3.814 1.044 1.00 0.00 C ATOM 522 NZ LYS A 35 16.419 -5.294 1.036 1.00 0.00 N ATOM 0 H LYS A 35 12.415 -5.283 2.057 1.00 0.00 H new ATOM 0 HA LYS A 35 12.111 -2.840 3.410 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.833 -1.962 1.941 1.00 0.00 H new ATOM 0 HB3 LYS A 35 14.267 -3.496 2.667 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.833 -4.668 0.581 1.00 0.00 H new ATOM 0 HG3 LYS A 35 13.219 -3.203 -0.160 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.505 -3.540 -0.883 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.440 -2.123 0.147 1.00 0.00 H new ATOM 0 HE2 LYS A 35 17.406 -3.460 0.716 1.00 0.00 H new ATOM 0 HE3 LYS A 35 16.287 -3.459 2.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 17.213 -5.650 1.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 15.523 -5.637 1.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 16.514 -5.637 0.059 1.00 0.00 H new ATOM 536 N LEU A 36 10.555 -2.998 0.535 1.00 0.00 N ATOM 537 CA LEU A 36 9.516 -2.288 -0.206 1.00 0.00 C ATOM 538 C LEU A 36 8.358 -2.066 0.712 1.00 0.00 C ATOM 539 O LEU A 36 7.901 -0.940 0.895 1.00 0.00 O ATOM 540 CB LEU A 36 9.018 -3.051 -1.446 1.00 0.00 C ATOM 541 CG LEU A 36 9.992 -3.215 -2.602 1.00 0.00 C ATOM 542 CD1 LEU A 36 9.319 -3.984 -3.728 1.00 0.00 C ATOM 543 CD2 LEU A 36 10.453 -1.853 -3.101 1.00 0.00 C ATOM 0 H LEU A 36 10.746 -3.948 0.215 1.00 0.00 H new ATOM 0 HA LEU A 36 9.950 -1.353 -0.560 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.703 -4.045 -1.127 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.131 -2.541 -1.822 1.00 0.00 H new ATOM 0 HG LEU A 36 10.864 -3.771 -2.258 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.017 -4.101 -4.557 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.016 -4.967 -3.367 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.441 -3.436 -4.069 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.150 -1.985 -3.929 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.591 -1.279 -3.441 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.949 -1.318 -2.291 1.00 0.00 H new ATOM 555 N VAL A 37 7.942 -3.148 1.343 1.00 0.00 N ATOM 556 CA VAL A 37 6.824 -3.148 2.260 1.00 0.00 C ATOM 557 C VAL A 37 7.006 -2.072 3.328 1.00 0.00 C ATOM 558 O VAL A 37 6.110 -1.292 3.574 1.00 0.00 O ATOM 559 CB VAL A 37 6.641 -4.540 2.941 1.00 0.00 C ATOM 560 CG1 VAL A 37 5.434 -4.524 3.844 1.00 0.00 C ATOM 561 CG2 VAL A 37 6.481 -5.639 1.905 1.00 0.00 C ATOM 0 H VAL A 37 8.379 -4.063 1.230 1.00 0.00 H new ATOM 0 HA VAL A 37 5.927 -2.931 1.680 1.00 0.00 H new ATOM 0 HB VAL A 37 7.535 -4.743 3.530 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.317 -5.501 4.313 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.566 -3.765 4.615 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.544 -4.294 3.258 1.00 0.00 H new ATOM 0 HG21 VAL A 37 6.355 -6.598 2.408 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.605 -5.434 1.290 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.368 -5.675 1.272 1.00 0.00 H new ATOM 571 N ARG A 38 8.187 -1.999 3.900 1.00 0.00 N ATOM 572 CA ARG A 38 8.452 -1.048 4.954 1.00 0.00 C ATOM 573 C ARG A 38 8.408 0.394 4.511 1.00 0.00 C ATOM 574 O ARG A 38 7.862 1.218 5.228 1.00 0.00 O ATOM 575 CB ARG A 38 9.722 -1.359 5.725 1.00 0.00 C ATOM 576 CG ARG A 38 9.640 -2.680 6.423 1.00 0.00 C ATOM 577 CD ARG A 38 10.694 -2.850 7.484 1.00 0.00 C ATOM 578 NE ARG A 38 10.474 -4.102 8.209 1.00 0.00 N ATOM 579 CZ ARG A 38 10.532 -4.256 9.539 1.00 0.00 C ATOM 580 NH1 ARG A 38 10.872 -3.236 10.323 1.00 0.00 N ATOM 581 NH2 ARG A 38 10.243 -5.433 10.076 1.00 0.00 N ATOM 0 H ARG A 38 8.981 -2.589 3.651 1.00 0.00 H new ATOM 0 HA ARG A 38 7.617 -1.171 5.644 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.571 -1.362 5.041 1.00 0.00 H new ATOM 0 HB3 ARG A 38 9.905 -0.572 6.457 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.655 -2.784 6.877 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.739 -3.480 5.689 1.00 0.00 H new ATOM 0 HD2 ARG A 38 11.684 -2.853 7.028 1.00 0.00 H new ATOM 0 HD3 ARG A 38 10.664 -2.009 8.176 1.00 0.00 H new ATOM 0 HE ARG A 38 10.258 -4.930 7.654 1.00 0.00 H new ATOM 0 HH11 ARG A 38 11.091 -2.328 9.913 1.00 0.00 H new ATOM 0 HH12 ARG A 38 10.914 -3.362 11.334 1.00 0.00 H new ATOM 0 HH21 ARG A 38 9.978 -6.215 9.478 1.00 0.00 H new ATOM 0 HH22 ARG A 38 10.285 -5.556 11.088 1.00 0.00 H new ATOM 595 N GLU A 39 8.933 0.718 3.331 1.00 0.00 N ATOM 596 CA GLU A 39 8.894 2.112 2.914 1.00 0.00 C ATOM 597 C GLU A 39 7.460 2.511 2.597 1.00 0.00 C ATOM 598 O GLU A 39 7.034 3.619 2.903 1.00 0.00 O ATOM 599 CB GLU A 39 9.832 2.437 1.732 1.00 0.00 C ATOM 600 CG GLU A 39 9.406 1.894 0.380 1.00 0.00 C ATOM 601 CD GLU A 39 10.270 2.416 -0.728 1.00 0.00 C ATOM 602 OE1 GLU A 39 9.976 3.510 -1.257 1.00 0.00 O ATOM 603 OE2 GLU A 39 11.271 1.773 -1.081 1.00 0.00 O ATOM 0 H GLU A 39 9.370 0.069 2.677 1.00 0.00 H new ATOM 0 HA GLU A 39 9.268 2.702 3.751 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.925 3.520 1.654 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.824 2.048 1.962 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.453 0.805 0.395 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.368 2.166 0.190 1.00 0.00 H new ATOM 610 N PHE A 40 6.710 1.579 2.029 1.00 0.00 N ATOM 611 CA PHE A 40 5.334 1.822 1.707 1.00 0.00 C ATOM 612 C PHE A 40 4.485 1.920 2.965 1.00 0.00 C ATOM 613 O PHE A 40 3.688 2.836 3.104 1.00 0.00 O ATOM 614 CB PHE A 40 4.789 0.782 0.728 1.00 0.00 C ATOM 615 CG PHE A 40 5.369 0.877 -0.673 1.00 0.00 C ATOM 616 CD1 PHE A 40 5.256 2.048 -1.412 1.00 0.00 C ATOM 617 CD2 PHE A 40 6.011 -0.206 -1.251 1.00 0.00 C ATOM 618 CE1 PHE A 40 5.775 2.128 -2.692 1.00 0.00 C ATOM 619 CE2 PHE A 40 6.526 -0.131 -2.528 1.00 0.00 C ATOM 620 CZ PHE A 40 6.410 1.033 -3.248 1.00 0.00 C ATOM 0 H PHE A 40 7.044 0.647 1.785 1.00 0.00 H new ATOM 0 HA PHE A 40 5.279 2.786 1.202 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.989 -0.213 1.125 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.706 0.889 0.668 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.758 2.905 -0.983 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.110 -1.125 -0.692 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.684 3.045 -3.256 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.021 -0.987 -2.962 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.815 1.093 -4.248 1.00 0.00 H new ATOM 630 N GLU A 41 4.723 1.028 3.902 1.00 0.00 N ATOM 631 CA GLU A 41 4.002 0.999 5.159 1.00 0.00 C ATOM 632 C GLU A 41 4.239 2.199 6.070 1.00 0.00 C ATOM 633 O GLU A 41 3.466 2.459 6.995 1.00 0.00 O ATOM 634 CB GLU A 41 4.170 -0.337 5.863 1.00 0.00 C ATOM 635 CG GLU A 41 3.138 -1.305 5.349 1.00 0.00 C ATOM 636 CD GLU A 41 1.804 -0.696 5.541 1.00 0.00 C ATOM 637 OE1 GLU A 41 1.411 -0.551 6.705 1.00 0.00 O ATOM 638 OE2 GLU A 41 1.132 -0.356 4.565 1.00 0.00 O ATOM 0 H GLU A 41 5.428 0.296 3.814 1.00 0.00 H new ATOM 0 HA GLU A 41 2.950 1.099 4.892 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.172 -0.729 5.688 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.061 -0.210 6.940 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.310 -1.521 4.295 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.205 -2.253 5.884 1.00 0.00 H new ATOM 645 N ARG A 42 5.285 2.931 5.820 1.00 0.00 N ATOM 646 CA ARG A 42 5.543 4.163 6.560 1.00 0.00 C ATOM 647 C ARG A 42 4.824 5.326 5.900 1.00 0.00 C ATOM 648 O ARG A 42 4.550 6.348 6.527 1.00 0.00 O ATOM 649 CB ARG A 42 7.031 4.417 6.647 1.00 0.00 C ATOM 650 CG ARG A 42 7.772 3.348 7.417 1.00 0.00 C ATOM 651 CD ARG A 42 9.270 3.531 7.309 1.00 0.00 C ATOM 652 NE ARG A 42 9.705 4.817 7.851 1.00 0.00 N ATOM 653 CZ ARG A 42 10.876 5.403 7.593 1.00 0.00 C ATOM 654 NH1 ARG A 42 11.746 4.835 6.752 1.00 0.00 N ATOM 655 NH2 ARG A 42 11.166 6.566 8.165 1.00 0.00 N ATOM 0 H ARG A 42 5.983 2.708 5.111 1.00 0.00 H new ATOM 0 HA ARG A 42 5.160 4.059 7.575 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.442 4.481 5.639 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.201 5.383 7.123 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.474 3.379 8.465 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.495 2.365 7.036 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.773 2.724 7.842 1.00 0.00 H new ATOM 0 HD3 ARG A 42 9.570 3.458 6.264 1.00 0.00 H new ATOM 0 HE ARG A 42 9.063 5.305 8.476 1.00 0.00 H new ATOM 0 HH11 ARG A 42 11.517 3.948 6.303 1.00 0.00 H new ATOM 0 HH12 ARG A 42 12.639 5.288 6.559 1.00 0.00 H new ATOM 0 HH21 ARG A 42 10.496 7.005 8.796 1.00 0.00 H new ATOM 0 HH22 ARG A 42 12.059 7.020 7.973 1.00 0.00 H new ATOM 669 N LEU A 43 4.515 5.156 4.643 1.00 0.00 N ATOM 670 CA LEU A 43 3.774 6.146 3.894 1.00 0.00 C ATOM 671 C LEU A 43 2.298 6.000 4.237 1.00 0.00 C ATOM 672 O LEU A 43 1.572 6.983 4.395 1.00 0.00 O ATOM 673 CB LEU A 43 3.987 5.928 2.386 1.00 0.00 C ATOM 674 CG LEU A 43 5.423 6.035 1.881 1.00 0.00 C ATOM 675 CD1 LEU A 43 5.500 5.606 0.425 1.00 0.00 C ATOM 676 CD2 LEU A 43 5.936 7.458 2.038 1.00 0.00 C ATOM 0 H LEU A 43 4.768 4.328 4.105 1.00 0.00 H new ATOM 0 HA LEU A 43 4.120 7.147 4.151 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.606 4.940 2.127 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.380 6.655 1.847 1.00 0.00 H new ATOM 0 HG LEU A 43 6.051 5.372 2.476 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.529 5.687 0.076 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.165 4.573 0.332 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.861 6.250 -0.178 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.961 7.517 1.673 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.306 8.137 1.463 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.908 7.741 3.090 1.00 0.00 H new ATOM 688 N THR A 44 1.884 4.766 4.398 1.00 0.00 N ATOM 689 CA THR A 44 0.516 4.430 4.689 1.00 0.00 C ATOM 690 C THR A 44 0.222 4.595 6.158 1.00 0.00 C ATOM 691 O THR A 44 -0.935 4.889 6.532 1.00 0.00 O ATOM 692 CB THR A 44 0.262 2.984 4.299 1.00 0.00 C ATOM 693 OG1 THR A 44 1.177 2.188 5.007 1.00 0.00 O ATOM 694 CG2 THR A 44 0.507 2.807 2.832 1.00 0.00 C ATOM 0 H THR A 44 2.500 3.956 4.329 1.00 0.00 H new ATOM 0 HA THR A 44 -0.131 5.099 4.122 1.00 0.00 H new ATOM 0 HB THR A 44 -0.766 2.705 4.528 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.254 1.313 4.573 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.324 1.769 2.555 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.165 3.456 2.270 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.540 3.067 2.602 1.00 0.00 H new ATOM 702 N GLU A 45 1.272 4.390 7.008 1.00 0.00 N ATOM 703 CA GLU A 45 1.147 4.436 8.475 1.00 0.00 C ATOM 704 C GLU A 45 0.190 3.345 8.895 1.00 0.00 C ATOM 705 O GLU A 45 -0.374 3.366 10.007 1.00 0.00 O ATOM 706 CB GLU A 45 0.578 5.777 8.899 1.00 0.00 C ATOM 707 CG GLU A 45 1.456 6.971 8.676 1.00 0.00 C ATOM 708 CD GLU A 45 0.664 8.218 8.867 1.00 0.00 C ATOM 709 OE1 GLU A 45 0.319 8.553 10.016 1.00 0.00 O ATOM 710 OE2 GLU A 45 0.277 8.840 7.862 1.00 0.00 O ATOM 0 H GLU A 45 2.219 4.190 6.685 1.00 0.00 H new ATOM 0 HA GLU A 45 2.124 4.298 8.939 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.358 5.936 8.364 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.334 5.725 9.960 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.296 6.952 9.371 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.874 6.944 7.670 1.00 0.00 H new ATOM 717 N HIS A 46 0.052 2.363 8.033 1.00 0.00 N ATOM 718 CA HIS A 46 -0.961 1.407 8.174 1.00 0.00 C ATOM 719 C HIS A 46 -0.565 0.313 9.200 1.00 0.00 C ATOM 720 O HIS A 46 0.566 -0.139 9.257 1.00 0.00 O ATOM 721 CB HIS A 46 -1.412 0.868 6.779 1.00 0.00 C ATOM 722 CG HIS A 46 -2.723 0.154 6.815 1.00 0.00 C ATOM 723 ND1 HIS A 46 -2.880 -1.111 7.298 1.00 0.00 N ATOM 724 CD2 HIS A 46 -3.968 0.622 6.591 1.00 0.00 C ATOM 725 CE1 HIS A 46 -4.181 -1.356 7.397 1.00 0.00 C ATOM 726 NE2 HIS A 46 -4.890 -0.341 6.967 1.00 0.00 N ATOM 0 H HIS A 46 0.654 2.226 7.221 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.846 1.878 8.600 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.480 1.702 6.080 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.649 0.191 6.395 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.208 1.593 6.183 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -4.601 -2.273 7.782 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -5.907 -0.274 6.919 1.00 0.00 H new ATOM 734 N PRO A 47 -1.495 -0.028 10.075 1.00 0.00 N ATOM 735 CA PRO A 47 -1.303 -1.000 11.145 1.00 0.00 C ATOM 736 C PRO A 47 -0.951 -2.377 10.666 1.00 0.00 C ATOM 737 O PRO A 47 0.071 -2.939 11.027 1.00 0.00 O ATOM 738 CB PRO A 47 -2.669 -1.052 11.813 1.00 0.00 C ATOM 739 CG PRO A 47 -3.602 -0.291 10.967 1.00 0.00 C ATOM 740 CD PRO A 47 -2.803 0.572 10.119 1.00 0.00 C ATOM 0 HA PRO A 47 -0.473 -0.702 11.786 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -3.004 -2.084 11.922 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -2.623 -0.624 12.815 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.212 -0.964 10.365 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -4.285 0.297 11.580 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.233 0.647 9.120 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.756 1.583 10.523 1.00 0.00 H new ATOM 748 N ASP A 48 -1.770 -2.881 9.805 1.00 0.00 N ATOM 749 CA ASP A 48 -1.665 -4.225 9.359 1.00 0.00 C ATOM 750 C ASP A 48 -1.289 -4.197 7.935 1.00 0.00 C ATOM 751 O ASP A 48 -1.520 -5.125 7.223 1.00 0.00 O ATOM 752 CB ASP A 48 -2.996 -4.990 9.522 1.00 0.00 C ATOM 753 CG ASP A 48 -3.367 -5.281 10.954 1.00 0.00 C ATOM 754 OD1 ASP A 48 -2.920 -6.313 11.505 1.00 0.00 O ATOM 755 OD2 ASP A 48 -4.135 -4.506 11.551 1.00 0.00 O ATOM 0 H ASP A 48 -2.542 -2.361 9.387 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.917 -4.742 9.960 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.795 -4.409 9.062 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.931 -5.931 8.976 1.00 0.00 H new ATOM 760 N GLY A 49 -0.689 -3.095 7.540 1.00 0.00 N ATOM 761 CA GLY A 49 -0.313 -2.874 6.130 1.00 0.00 C ATOM 762 C GLY A 49 0.546 -3.932 5.562 1.00 0.00 C ATOM 763 O GLY A 49 0.295 -4.420 4.459 1.00 0.00 O ATOM 0 H GLY A 49 -0.444 -2.327 8.165 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.220 -2.797 5.531 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.205 -1.918 6.049 1.00 0.00 H new ATOM 767 N SER A 50 1.534 -4.310 6.298 1.00 0.00 N ATOM 768 CA SER A 50 2.397 -5.390 5.843 1.00 0.00 C ATOM 769 C SER A 50 1.579 -6.687 5.761 1.00 0.00 C ATOM 770 O SER A 50 1.624 -7.408 4.759 1.00 0.00 O ATOM 771 CB SER A 50 3.600 -5.565 6.761 1.00 0.00 C ATOM 772 OG SER A 50 4.296 -4.332 6.937 1.00 0.00 O ATOM 0 H SER A 50 1.777 -3.908 7.203 1.00 0.00 H new ATOM 0 HA SER A 50 2.782 -5.141 4.854 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.271 -5.942 7.729 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.276 -6.311 6.342 1.00 0.00 H new ATOM 0 HG SER A 50 5.063 -4.471 7.532 1.00 0.00 H new ATOM 778 N ASP A 51 0.767 -6.915 6.786 1.00 0.00 N ATOM 779 CA ASP A 51 -0.098 -8.084 6.873 1.00 0.00 C ATOM 780 C ASP A 51 -1.128 -8.114 5.758 1.00 0.00 C ATOM 781 O ASP A 51 -1.505 -9.157 5.349 1.00 0.00 O ATOM 782 CB ASP A 51 -0.795 -8.206 8.249 1.00 0.00 C ATOM 783 CG ASP A 51 0.118 -8.683 9.369 1.00 0.00 C ATOM 784 OD1 ASP A 51 0.784 -7.843 10.036 1.00 0.00 O ATOM 785 OD2 ASP A 51 0.179 -9.894 9.624 1.00 0.00 O ATOM 0 H ASP A 51 0.690 -6.288 7.587 1.00 0.00 H new ATOM 0 HA ASP A 51 0.558 -8.947 6.756 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.209 -7.235 8.521 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.633 -8.897 8.159 1.00 0.00 H new ATOM 790 N LEU A 52 -1.532 -6.946 5.251 1.00 0.00 N ATOM 791 CA LEU A 52 -2.520 -6.821 4.141 1.00 0.00 C ATOM 792 C LEU A 52 -2.066 -7.578 2.931 1.00 0.00 C ATOM 793 O LEU A 52 -2.865 -8.204 2.232 1.00 0.00 O ATOM 794 CB LEU A 52 -2.678 -5.354 3.704 1.00 0.00 C ATOM 795 CG LEU A 52 -3.160 -4.369 4.741 1.00 0.00 C ATOM 796 CD1 LEU A 52 -3.351 -2.999 4.109 1.00 0.00 C ATOM 797 CD2 LEU A 52 -4.424 -4.866 5.426 1.00 0.00 C ATOM 0 H LEU A 52 -1.189 -6.047 5.591 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.462 -7.218 4.520 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.714 -5.007 3.333 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.372 -5.326 2.864 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.401 -4.276 5.518 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.699 -2.295 4.865 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.403 -2.652 3.699 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.089 -3.067 3.309 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.747 -4.135 6.168 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.211 -5.002 4.684 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.221 -5.817 5.918 1.00 0.00 H new ATOM 809 N ILE A 53 -0.780 -7.520 2.708 1.00 0.00 N ATOM 810 CA ILE A 53 -0.168 -8.102 1.535 1.00 0.00 C ATOM 811 C ILE A 53 -0.062 -9.591 1.736 1.00 0.00 C ATOM 812 O ILE A 53 -0.259 -10.389 0.818 1.00 0.00 O ATOM 813 CB ILE A 53 1.254 -7.525 1.356 1.00 0.00 C ATOM 814 CG1 ILE A 53 1.208 -5.994 1.429 1.00 0.00 C ATOM 815 CG2 ILE A 53 1.854 -7.981 0.015 1.00 0.00 C ATOM 816 CD1 ILE A 53 2.559 -5.353 1.608 1.00 0.00 C ATOM 0 H ILE A 53 -0.119 -7.065 3.338 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.770 -7.877 0.655 1.00 0.00 H new ATOM 0 HB ILE A 53 1.890 -7.898 2.159 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.752 -5.610 0.517 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.563 -5.698 2.257 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.856 -7.566 -0.095 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.908 -9.069 -0.008 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.224 -7.631 -0.803 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.445 -4.270 1.651 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.010 -5.707 2.535 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.201 -5.617 0.768 1.00 0.00 H new ATOM 828 N TYR A 54 0.182 -9.945 2.959 1.00 0.00 N ATOM 829 CA TYR A 54 0.454 -11.295 3.333 1.00 0.00 C ATOM 830 C TYR A 54 -0.827 -12.096 3.586 1.00 0.00 C ATOM 831 O TYR A 54 -0.899 -13.277 3.252 1.00 0.00 O ATOM 832 CB TYR A 54 1.358 -11.310 4.572 1.00 0.00 C ATOM 833 CG TYR A 54 2.696 -10.598 4.404 1.00 0.00 C ATOM 834 CD1 TYR A 54 3.391 -10.640 3.200 1.00 0.00 C ATOM 835 CD2 TYR A 54 3.254 -9.871 5.451 1.00 0.00 C ATOM 836 CE1 TYR A 54 4.593 -9.983 3.044 1.00 0.00 C ATOM 837 CE2 TYR A 54 4.462 -9.209 5.300 1.00 0.00 C ATOM 838 CZ TYR A 54 5.124 -9.268 4.090 1.00 0.00 C ATOM 839 OH TYR A 54 6.335 -8.627 3.936 1.00 0.00 O ATOM 0 H TYR A 54 0.198 -9.289 3.740 1.00 0.00 H new ATOM 0 HA TYR A 54 0.966 -11.779 2.501 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.820 -10.849 5.401 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.548 -12.346 4.852 1.00 0.00 H new ATOM 0 HD1 TYR A 54 2.981 -11.198 2.371 1.00 0.00 H new ATOM 0 HD2 TYR A 54 2.737 -9.822 6.398 1.00 0.00 H new ATOM 0 HE1 TYR A 54 5.117 -10.030 2.101 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.883 -8.651 6.123 1.00 0.00 H new ATOM 0 HH TYR A 54 6.706 -8.836 3.053 1.00 0.00 H new ATOM 849 N TYR A 55 -1.812 -11.456 4.169 1.00 0.00 N ATOM 850 CA TYR A 55 -3.057 -12.070 4.531 1.00 0.00 C ATOM 851 C TYR A 55 -4.194 -11.076 4.301 1.00 0.00 C ATOM 852 O TYR A 55 -4.073 -9.884 4.613 1.00 0.00 O ATOM 853 CB TYR A 55 -3.065 -12.459 6.027 1.00 0.00 C ATOM 854 CG TYR A 55 -1.959 -13.393 6.457 1.00 0.00 C ATOM 855 CD1 TYR A 55 -2.080 -14.764 6.294 1.00 0.00 C ATOM 856 CD2 TYR A 55 -0.795 -12.899 7.035 1.00 0.00 C ATOM 857 CE1 TYR A 55 -1.073 -15.620 6.690 1.00 0.00 C ATOM 858 CE2 TYR A 55 0.214 -13.746 7.431 1.00 0.00 C ATOM 859 CZ TYR A 55 0.070 -15.106 7.257 1.00 0.00 C ATOM 860 OH TYR A 55 1.078 -15.954 7.659 1.00 0.00 O ATOM 0 H TYR A 55 -1.763 -10.466 4.409 1.00 0.00 H new ATOM 0 HA TYR A 55 -3.185 -12.964 3.920 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.001 -11.548 6.623 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.023 -12.925 6.259 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.977 -15.169 5.850 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.681 -11.834 7.175 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -1.181 -16.686 6.556 1.00 0.00 H new ATOM 0 HE2 TYR A 55 1.114 -13.348 7.876 1.00 0.00 H new ATOM 0 HH TYR A 55 1.815 -15.430 8.038 1.00 0.00 H new ATOM 870 N PRO A 56 -5.287 -11.524 3.732 1.00 0.00 N ATOM 871 CA PRO A 56 -6.473 -10.700 3.586 1.00 0.00 C ATOM 872 C PRO A 56 -7.216 -10.574 4.914 1.00 0.00 C ATOM 873 O PRO A 56 -6.818 -11.179 5.920 1.00 0.00 O ATOM 874 CB PRO A 56 -7.319 -11.483 2.594 1.00 0.00 C ATOM 875 CG PRO A 56 -6.920 -12.903 2.802 1.00 0.00 C ATOM 876 CD PRO A 56 -5.458 -12.862 3.151 1.00 0.00 C ATOM 0 HA PRO A 56 -6.244 -9.685 3.263 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -8.383 -11.339 2.779 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -7.128 -11.163 1.570 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -7.502 -13.361 3.602 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -7.093 -13.495 1.903 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -5.192 -13.646 3.860 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.830 -13.002 2.271 1.00 0.00 H new ATOM 884 N ARG A 57 -8.264 -9.778 4.931 1.00 0.00 N ATOM 885 CA ARG A 57 -9.105 -9.706 6.114 1.00 0.00 C ATOM 886 C ARG A 57 -10.098 -10.873 6.053 1.00 0.00 C ATOM 887 O ARG A 57 -9.700 -12.041 6.050 1.00 0.00 O ATOM 888 CB ARG A 57 -9.894 -8.391 6.115 1.00 0.00 C ATOM 889 CG ARG A 57 -9.097 -7.125 6.205 1.00 0.00 C ATOM 890 CD ARG A 57 -8.446 -6.969 7.539 1.00 0.00 C ATOM 891 NE ARG A 57 -7.878 -5.630 7.704 1.00 0.00 N ATOM 892 CZ ARG A 57 -7.245 -5.219 8.808 1.00 0.00 C ATOM 893 NH1 ARG A 57 -6.846 -6.110 9.712 1.00 0.00 N ATOM 894 NH2 ARG A 57 -6.972 -3.930 8.988 1.00 0.00 N ATOM 0 H ARG A 57 -8.553 -9.181 4.156 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.490 -9.755 7.013 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -10.491 -8.352 5.204 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -10.591 -8.414 6.952 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.334 -7.120 5.426 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -9.749 -6.272 6.018 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.177 -7.155 8.326 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -7.660 -7.716 7.651 1.00 0.00 H new ATOM 0 HE ARG A 57 -7.971 -4.971 6.931 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -7.023 -7.103 9.562 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -6.363 -5.800 10.555 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -7.246 -3.247 8.281 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -6.489 -3.624 9.833 1.00 0.00 H new ATOM 908 N ASP A 58 -11.372 -10.566 5.976 1.00 0.00 N ATOM 909 CA ASP A 58 -12.363 -11.585 5.725 1.00 0.00 C ATOM 910 C ASP A 58 -13.139 -11.242 4.491 1.00 0.00 C ATOM 911 O ASP A 58 -13.200 -12.005 3.540 1.00 0.00 O ATOM 912 CB ASP A 58 -13.288 -11.826 6.909 1.00 0.00 C ATOM 913 CG ASP A 58 -14.188 -13.016 6.677 1.00 0.00 C ATOM 914 OD1 ASP A 58 -13.674 -14.152 6.609 1.00 0.00 O ATOM 915 OD2 ASP A 58 -15.416 -12.851 6.537 1.00 0.00 O ATOM 0 H ASP A 58 -11.745 -9.623 6.083 1.00 0.00 H new ATOM 0 HA ASP A 58 -11.832 -12.524 5.570 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.694 -11.988 7.809 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -13.895 -10.938 7.084 1.00 0.00 H new ATOM 920 N ASP A 59 -13.708 -10.060 4.517 1.00 0.00 N ATOM 921 CA ASP A 59 -14.518 -9.561 3.419 1.00 0.00 C ATOM 922 C ASP A 59 -13.648 -8.799 2.462 1.00 0.00 C ATOM 923 O ASP A 59 -13.920 -8.747 1.266 1.00 0.00 O ATOM 924 CB ASP A 59 -15.617 -8.602 3.923 1.00 0.00 C ATOM 925 CG ASP A 59 -16.543 -9.206 4.944 1.00 0.00 C ATOM 926 OD1 ASP A 59 -17.494 -9.905 4.568 1.00 0.00 O ATOM 927 OD2 ASP A 59 -16.332 -8.989 6.159 1.00 0.00 O ATOM 0 H ASP A 59 -13.625 -9.412 5.300 1.00 0.00 H new ATOM 0 HA ASP A 59 -14.982 -10.419 2.933 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -15.144 -7.720 4.355 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -16.206 -8.263 3.071 1.00 0.00 H new ATOM 932 N ARG A 60 -12.592 -8.195 2.998 1.00 0.00 N ATOM 933 CA ARG A 60 -11.736 -7.367 2.228 1.00 0.00 C ATOM 934 C ARG A 60 -10.982 -8.150 1.200 1.00 0.00 C ATOM 935 O ARG A 60 -10.269 -9.111 1.508 1.00 0.00 O ATOM 936 CB ARG A 60 -10.828 -6.552 3.119 1.00 0.00 C ATOM 937 CG ARG A 60 -10.059 -5.462 2.417 1.00 0.00 C ATOM 938 CD ARG A 60 -8.719 -5.912 1.828 1.00 0.00 C ATOM 939 NE ARG A 60 -7.731 -6.310 2.847 1.00 0.00 N ATOM 940 CZ ARG A 60 -6.719 -7.187 2.633 1.00 0.00 C ATOM 941 NH1 ARG A 60 -6.590 -7.800 1.448 1.00 0.00 N ATOM 942 NH2 ARG A 60 -5.858 -7.471 3.605 1.00 0.00 N ATOM 0 H ARG A 60 -12.325 -8.280 3.979 1.00 0.00 H new ATOM 0 HA ARG A 60 -12.358 -6.663 1.675 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -11.428 -6.101 3.909 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -10.118 -7.224 3.601 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -10.677 -5.057 1.615 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -9.878 -4.650 3.121 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -8.891 -6.751 1.154 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -8.304 -5.101 1.229 1.00 0.00 H new ATOM 0 HE ARG A 60 -7.814 -5.898 3.776 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -7.256 -7.608 0.699 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -5.826 -8.458 1.295 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -5.956 -7.028 4.519 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -5.099 -8.132 3.437 1.00 0.00 H new ATOM 956 N GLU A 61 -11.145 -7.679 0.010 1.00 0.00 N ATOM 957 CA GLU A 61 -10.604 -8.237 -1.206 1.00 0.00 C ATOM 958 C GLU A 61 -9.085 -8.425 -1.145 1.00 0.00 C ATOM 959 O GLU A 61 -8.330 -7.517 -0.742 1.00 0.00 O ATOM 960 CB GLU A 61 -10.982 -7.316 -2.365 1.00 0.00 C ATOM 961 CG GLU A 61 -10.435 -7.723 -3.723 1.00 0.00 C ATOM 962 CD GLU A 61 -10.907 -9.082 -4.189 1.00 0.00 C ATOM 963 OE1 GLU A 61 -10.403 -10.108 -3.707 1.00 0.00 O ATOM 964 OE2 GLU A 61 -11.772 -9.148 -5.077 1.00 0.00 O ATOM 0 H GLU A 61 -11.695 -6.837 -0.162 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.028 -9.231 -1.348 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.069 -7.268 -2.429 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.631 -6.310 -2.137 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.726 -6.975 -4.461 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.346 -7.722 -3.681 1.00 0.00 H new ATOM 971 N ASP A 62 -8.651 -9.574 -1.556 1.00 0.00 N ATOM 972 CA ASP A 62 -7.260 -9.908 -1.588 1.00 0.00 C ATOM 973 C ASP A 62 -6.756 -9.770 -3.001 1.00 0.00 C ATOM 974 O ASP A 62 -6.647 -10.748 -3.749 1.00 0.00 O ATOM 975 CB ASP A 62 -7.012 -11.322 -1.085 1.00 0.00 C ATOM 976 CG ASP A 62 -5.539 -11.653 -0.978 1.00 0.00 C ATOM 977 OD1 ASP A 62 -4.844 -11.026 -0.167 1.00 0.00 O ATOM 978 OD2 ASP A 62 -5.046 -12.557 -1.727 1.00 0.00 O ATOM 0 H ASP A 62 -9.263 -10.321 -1.885 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.724 -9.226 -0.928 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -7.479 -11.443 -0.108 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.492 -12.032 -1.758 1.00 0.00 H new ATOM 983 N SER A 63 -6.563 -8.562 -3.405 1.00 0.00 N ATOM 984 CA SER A 63 -6.060 -8.288 -4.701 1.00 0.00 C ATOM 985 C SER A 63 -5.212 -7.047 -4.574 1.00 0.00 C ATOM 986 O SER A 63 -5.326 -6.343 -3.551 1.00 0.00 O ATOM 987 CB SER A 63 -7.238 -8.038 -5.672 1.00 0.00 C ATOM 988 OG SER A 63 -7.912 -6.814 -5.377 1.00 0.00 O ATOM 0 H SER A 63 -6.752 -7.734 -2.840 1.00 0.00 H new ATOM 0 HA SER A 63 -5.476 -9.121 -5.092 1.00 0.00 H new ATOM 0 HB2 SER A 63 -6.867 -8.012 -6.696 1.00 0.00 H new ATOM 0 HB3 SER A 63 -7.943 -8.867 -5.610 1.00 0.00 H new ATOM 0 HG SER A 63 -8.649 -6.686 -6.010 1.00 0.00 H new ATOM 994 N PRO A 64 -4.344 -6.743 -5.564 1.00 0.00 N ATOM 995 CA PRO A 64 -3.577 -5.496 -5.574 1.00 0.00 C ATOM 996 C PRO A 64 -4.513 -4.277 -5.427 1.00 0.00 C ATOM 997 O PRO A 64 -4.149 -3.269 -4.850 1.00 0.00 O ATOM 998 CB PRO A 64 -2.887 -5.522 -6.961 1.00 0.00 C ATOM 999 CG PRO A 64 -2.750 -6.966 -7.260 1.00 0.00 C ATOM 1000 CD PRO A 64 -3.993 -7.611 -6.713 1.00 0.00 C ATOM 0 HA PRO A 64 -2.867 -5.414 -4.751 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.486 -5.012 -7.716 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.917 -5.025 -6.935 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.659 -7.137 -8.333 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -1.856 -7.380 -6.794 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.791 -7.641 -7.454 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.810 -8.639 -6.400 1.00 0.00 H new ATOM 1008 N GLU A 65 -5.743 -4.425 -5.888 1.00 0.00 N ATOM 1009 CA GLU A 65 -6.710 -3.360 -5.810 1.00 0.00 C ATOM 1010 C GLU A 65 -7.341 -3.299 -4.416 1.00 0.00 C ATOM 1011 O GLU A 65 -7.461 -2.220 -3.828 1.00 0.00 O ATOM 1012 CB GLU A 65 -7.793 -3.541 -6.859 1.00 0.00 C ATOM 1013 CG GLU A 65 -7.265 -3.785 -8.258 1.00 0.00 C ATOM 1014 CD GLU A 65 -8.356 -3.774 -9.284 1.00 0.00 C ATOM 1015 OE1 GLU A 65 -9.099 -4.766 -9.403 1.00 0.00 O ATOM 1016 OE2 GLU A 65 -8.501 -2.762 -9.990 1.00 0.00 O ATOM 0 H GLU A 65 -6.091 -5.280 -6.322 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.189 -2.421 -6.000 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -8.427 -4.379 -6.570 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -8.425 -2.653 -6.870 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.528 -3.020 -8.505 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.750 -4.745 -8.288 1.00 0.00 H new ATOM 1023 N GLY A 66 -7.715 -4.455 -3.886 1.00 0.00 N ATOM 1024 CA GLY A 66 -8.370 -4.518 -2.590 1.00 0.00 C ATOM 1025 C GLY A 66 -7.456 -4.154 -1.437 1.00 0.00 C ATOM 1026 O GLY A 66 -7.913 -3.658 -0.410 1.00 0.00 O ATOM 0 H GLY A 66 -7.576 -5.361 -4.334 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.227 -3.845 -2.591 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.756 -5.525 -2.434 1.00 0.00 H new ATOM 1030 N ILE A 67 -6.175 -4.394 -1.597 1.00 0.00 N ATOM 1031 CA ILE A 67 -5.201 -4.008 -0.586 1.00 0.00 C ATOM 1032 C ILE A 67 -5.077 -2.475 -0.541 1.00 0.00 C ATOM 1033 O ILE A 67 -4.995 -1.872 0.531 1.00 0.00 O ATOM 1034 CB ILE A 67 -3.835 -4.708 -0.831 1.00 0.00 C ATOM 1035 CG1 ILE A 67 -4.015 -6.226 -0.628 1.00 0.00 C ATOM 1036 CG2 ILE A 67 -2.748 -4.154 0.097 1.00 0.00 C ATOM 1037 CD1 ILE A 67 -2.810 -7.065 -0.987 1.00 0.00 C ATOM 0 H ILE A 67 -5.777 -4.854 -2.416 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.546 -4.342 0.392 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.508 -4.511 -1.852 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.269 -6.410 0.416 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.863 -6.560 -1.226 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.806 -4.665 -0.101 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.626 -3.086 -0.083 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -3.038 -4.317 1.135 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -3.034 -8.117 -0.811 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.564 -6.918 -2.039 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.962 -6.766 -0.371 1.00 0.00 H new ATOM 1049 N VAL A 68 -5.126 -1.857 -1.709 1.00 0.00 N ATOM 1050 CA VAL A 68 -5.158 -0.406 -1.811 1.00 0.00 C ATOM 1051 C VAL A 68 -6.465 0.118 -1.239 1.00 0.00 C ATOM 1052 O VAL A 68 -6.489 1.129 -0.546 1.00 0.00 O ATOM 1053 CB VAL A 68 -4.976 0.069 -3.273 1.00 0.00 C ATOM 1054 CG1 VAL A 68 -5.179 1.581 -3.412 1.00 0.00 C ATOM 1055 CG2 VAL A 68 -3.595 -0.284 -3.718 1.00 0.00 C ATOM 0 H VAL A 68 -5.145 -2.341 -2.607 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.324 -0.006 -1.234 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.726 -0.424 -3.891 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.042 1.872 -4.453 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.187 1.844 -3.091 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.452 2.104 -2.791 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.449 0.044 -4.747 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.868 0.210 -3.074 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.458 -1.364 -3.658 1.00 0.00 H new ATOM 1065 N LYS A 69 -7.541 -0.607 -1.507 1.00 0.00 N ATOM 1066 CA LYS A 69 -8.855 -0.286 -0.985 1.00 0.00 C ATOM 1067 C LYS A 69 -8.839 -0.255 0.526 1.00 0.00 C ATOM 1068 O LYS A 69 -9.413 0.638 1.127 1.00 0.00 O ATOM 1069 CB LYS A 69 -9.854 -1.308 -1.424 1.00 0.00 C ATOM 1070 CG LYS A 69 -11.251 -0.941 -1.019 1.00 0.00 C ATOM 1071 CD LYS A 69 -12.075 -0.457 -2.191 1.00 0.00 C ATOM 1072 CE LYS A 69 -11.602 0.902 -2.712 1.00 0.00 C ATOM 1073 NZ LYS A 69 -12.426 1.377 -3.840 1.00 0.00 N ATOM 0 H LYS A 69 -7.524 -1.439 -2.097 1.00 0.00 H new ATOM 0 HA LYS A 69 -9.131 0.696 -1.369 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.808 -1.417 -2.508 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.595 -2.276 -0.995 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.736 -1.807 -0.568 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -11.214 -0.163 -0.256 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -12.023 -1.190 -2.996 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -13.121 -0.385 -1.892 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.637 1.633 -1.904 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.562 0.827 -3.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -12.073 2.300 -4.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.372 0.693 -4.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -13.414 1.473 -3.531 1.00 0.00 H new ATOM 1087 N GLU A 70 -8.163 -1.224 1.117 1.00 0.00 N ATOM 1088 CA GLU A 70 -8.020 -1.328 2.558 1.00 0.00 C ATOM 1089 C GLU A 70 -7.427 -0.036 3.112 1.00 0.00 C ATOM 1090 O GLU A 70 -8.020 0.618 3.981 1.00 0.00 O ATOM 1091 CB GLU A 70 -7.081 -2.479 2.875 1.00 0.00 C ATOM 1092 CG GLU A 70 -6.861 -2.713 4.344 1.00 0.00 C ATOM 1093 CD GLU A 70 -8.038 -3.318 5.020 1.00 0.00 C ATOM 1094 OE1 GLU A 70 -8.154 -4.548 5.014 1.00 0.00 O ATOM 1095 OE2 GLU A 70 -8.854 -2.579 5.592 1.00 0.00 O ATOM 0 H GLU A 70 -7.692 -1.969 0.604 1.00 0.00 H new ATOM 0 HA GLU A 70 -8.997 -1.501 3.010 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.480 -3.391 2.430 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.118 -2.288 2.402 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.998 -3.365 4.477 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.621 -1.765 4.825 1.00 0.00 H new ATOM 1102 N ILE A 71 -6.282 0.337 2.564 1.00 0.00 N ATOM 1103 CA ILE A 71 -5.579 1.537 2.951 1.00 0.00 C ATOM 1104 C ILE A 71 -6.414 2.784 2.660 1.00 0.00 C ATOM 1105 O ILE A 71 -6.435 3.727 3.452 1.00 0.00 O ATOM 1106 CB ILE A 71 -4.203 1.587 2.256 1.00 0.00 C ATOM 1107 CG1 ILE A 71 -3.363 0.460 2.834 1.00 0.00 C ATOM 1108 CG2 ILE A 71 -3.507 2.934 2.474 1.00 0.00 C ATOM 1109 CD1 ILE A 71 -2.068 0.243 2.157 1.00 0.00 C ATOM 0 H ILE A 71 -5.814 -0.195 1.830 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.412 1.517 4.028 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.330 1.470 1.180 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.176 0.669 3.887 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -3.940 -0.464 2.789 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.541 2.930 1.969 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -4.126 3.733 2.067 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.358 3.098 3.541 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.539 -0.580 2.638 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.242 -0.001 1.109 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.466 1.149 2.224 1.00 0.00 H new ATOM 1121 N LYS A 72 -7.123 2.755 1.541 1.00 0.00 N ATOM 1122 CA LYS A 72 -8.023 3.832 1.138 1.00 0.00 C ATOM 1123 C LYS A 72 -9.100 4.053 2.182 1.00 0.00 C ATOM 1124 O LYS A 72 -9.167 5.113 2.776 1.00 0.00 O ATOM 1125 CB LYS A 72 -8.706 3.496 -0.202 1.00 0.00 C ATOM 1126 CG LYS A 72 -9.771 4.514 -0.622 1.00 0.00 C ATOM 1127 CD LYS A 72 -9.162 5.819 -1.079 1.00 0.00 C ATOM 1128 CE LYS A 72 -8.581 5.682 -2.475 1.00 0.00 C ATOM 1129 NZ LYS A 72 -9.628 5.547 -3.503 1.00 0.00 N ATOM 0 H LYS A 72 -7.091 1.979 0.880 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.423 4.736 1.032 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.947 3.435 -0.982 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -9.167 2.511 -0.128 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -10.375 4.095 -1.427 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.443 4.702 0.216 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.920 6.602 -1.071 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.381 6.124 -0.383 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -7.966 6.554 -2.698 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -7.925 4.812 -2.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -9.340 4.831 -4.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -10.519 5.254 -3.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -9.765 6.460 -3.981 1.00 0.00 H new ATOM 1143 N GLU A 73 -9.877 3.015 2.446 1.00 0.00 N ATOM 1144 CA GLU A 73 -11.011 3.084 3.357 1.00 0.00 C ATOM 1145 C GLU A 73 -10.586 3.499 4.744 1.00 0.00 C ATOM 1146 O GLU A 73 -11.247 4.312 5.391 1.00 0.00 O ATOM 1147 CB GLU A 73 -11.710 1.735 3.406 1.00 0.00 C ATOM 1148 CG GLU A 73 -12.364 1.343 2.096 1.00 0.00 C ATOM 1149 CD GLU A 73 -13.523 2.230 1.758 1.00 0.00 C ATOM 1150 OE1 GLU A 73 -14.651 1.906 2.175 1.00 0.00 O ATOM 1151 OE2 GLU A 73 -13.348 3.263 1.082 1.00 0.00 O ATOM 0 H GLU A 73 -9.738 2.093 2.032 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.700 3.841 2.983 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -10.986 0.970 3.684 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.468 1.756 4.189 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.626 1.390 1.295 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -12.704 0.309 2.156 1.00 0.00 H new ATOM 1158 N TRP A 74 -9.473 2.977 5.165 1.00 0.00 N ATOM 1159 CA TRP A 74 -8.950 3.230 6.469 1.00 0.00 C ATOM 1160 C TRP A 74 -8.403 4.669 6.579 1.00 0.00 C ATOM 1161 O TRP A 74 -8.823 5.425 7.452 1.00 0.00 O ATOM 1162 CB TRP A 74 -7.892 2.185 6.760 1.00 0.00 C ATOM 1163 CG TRP A 74 -7.325 2.193 8.132 1.00 0.00 C ATOM 1164 CD1 TRP A 74 -7.841 1.601 9.240 1.00 0.00 C ATOM 1165 CD2 TRP A 74 -6.103 2.779 8.521 1.00 0.00 C ATOM 1166 NE1 TRP A 74 -6.998 1.786 10.295 1.00 0.00 N ATOM 1167 CE2 TRP A 74 -5.920 2.505 9.877 1.00 0.00 C ATOM 1168 CE3 TRP A 74 -5.149 3.504 7.838 1.00 0.00 C ATOM 1169 CZ2 TRP A 74 -4.806 2.933 10.569 1.00 0.00 C ATOM 1170 CZ3 TRP A 74 -4.039 3.940 8.494 1.00 0.00 C ATOM 1171 CH2 TRP A 74 -3.865 3.646 9.861 1.00 0.00 C ATOM 0 H TRP A 74 -8.895 2.354 4.601 1.00 0.00 H new ATOM 0 HA TRP A 74 -9.739 3.155 7.217 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -8.321 1.201 6.572 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -7.075 2.317 6.051 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -8.778 1.065 9.279 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -7.150 1.442 11.243 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -5.282 3.724 6.789 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -4.678 2.718 11.620 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.291 4.512 7.966 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -2.973 3.988 10.365 1.00 0.00 H new ATOM 1182 N ARG A 75 -7.524 5.073 5.658 1.00 0.00 N ATOM 1183 CA ARG A 75 -6.937 6.418 5.698 1.00 0.00 C ATOM 1184 C ARG A 75 -7.957 7.495 5.418 1.00 0.00 C ATOM 1185 O ARG A 75 -7.885 8.574 6.000 1.00 0.00 O ATOM 1186 CB ARG A 75 -5.692 6.535 4.808 1.00 0.00 C ATOM 1187 CG ARG A 75 -4.532 5.738 5.386 1.00 0.00 C ATOM 1188 CD ARG A 75 -3.223 5.937 4.664 1.00 0.00 C ATOM 1189 NE ARG A 75 -2.905 7.348 4.447 1.00 0.00 N ATOM 1190 CZ ARG A 75 -1.974 8.054 5.110 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -1.254 7.503 6.074 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -1.779 9.310 4.788 1.00 0.00 N ATOM 0 H ARG A 75 -7.204 4.495 4.881 1.00 0.00 H new ATOM 0 HA ARG A 75 -6.596 6.581 6.720 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.922 6.174 3.805 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.406 7.582 4.712 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.402 6.014 6.432 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.788 4.679 5.365 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.422 5.473 5.239 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.262 5.426 3.702 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.437 7.839 3.729 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.401 6.525 6.325 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.552 8.056 6.566 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.330 9.737 4.044 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -1.076 9.860 5.282 1.00 0.00 H new ATOM 1206 N ALA A 76 -8.940 7.186 4.595 1.00 0.00 N ATOM 1207 CA ALA A 76 -10.015 8.117 4.308 1.00 0.00 C ATOM 1208 C ALA A 76 -10.921 8.294 5.540 1.00 0.00 C ATOM 1209 O ALA A 76 -11.445 9.387 5.788 1.00 0.00 O ATOM 1210 CB ALA A 76 -10.826 7.658 3.092 1.00 0.00 C ATOM 0 H ALA A 76 -9.017 6.292 4.110 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.574 9.085 4.069 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.626 8.373 2.897 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -10.173 7.598 2.221 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -11.257 6.677 3.291 1.00 0.00 H new ATOM 1216 N ALA A 77 -11.043 7.235 6.346 1.00 0.00 N ATOM 1217 CA ALA A 77 -11.903 7.257 7.529 1.00 0.00 C ATOM 1218 C ALA A 77 -11.158 7.895 8.666 1.00 0.00 C ATOM 1219 O ALA A 77 -11.730 8.579 9.502 1.00 0.00 O ATOM 1220 CB ALA A 77 -12.346 5.853 7.917 1.00 0.00 C ATOM 0 H ALA A 77 -10.555 6.351 6.199 1.00 0.00 H new ATOM 0 HA ALA A 77 -12.798 7.835 7.300 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -12.984 5.904 8.800 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -12.902 5.406 7.093 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -11.470 5.243 8.137 1.00 0.00 H new ATOM 1226 N ASN A 78 -9.863 7.654 8.679 1.00 0.00 N ATOM 1227 CA ASN A 78 -8.956 8.232 9.650 1.00 0.00 C ATOM 1228 C ASN A 78 -8.816 9.723 9.439 1.00 0.00 C ATOM 1229 O ASN A 78 -8.514 10.468 10.363 1.00 0.00 O ATOM 1230 CB ASN A 78 -7.567 7.589 9.550 1.00 0.00 C ATOM 1231 CG ASN A 78 -7.360 6.315 10.360 1.00 0.00 C ATOM 1232 OD1 ASN A 78 -6.248 6.049 10.808 1.00 0.00 O ATOM 1233 ND2 ASN A 78 -8.385 5.527 10.540 1.00 0.00 N ATOM 0 H ASN A 78 -9.404 7.042 8.005 1.00 0.00 H new ATOM 0 HA ASN A 78 -9.376 8.043 10.638 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -7.366 7.366 8.502 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -6.826 8.322 9.868 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -8.276 4.660 11.066 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -9.295 5.778 10.154 1.00 0.00 H new ATOM 1240 N GLY A 79 -9.030 10.151 8.219 1.00 0.00 N ATOM 1241 CA GLY A 79 -8.885 11.540 7.900 1.00 0.00 C ATOM 1242 C GLY A 79 -7.457 11.859 7.585 1.00 0.00 C ATOM 1243 O GLY A 79 -6.982 12.971 7.806 1.00 0.00 O ATOM 0 H GLY A 79 -9.304 9.556 7.437 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.516 11.791 7.048 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.224 12.149 8.738 1.00 0.00 H new ATOM 1247 N LYS A 80 -6.767 10.867 7.095 1.00 0.00 N ATOM 1248 CA LYS A 80 -5.415 10.992 6.712 1.00 0.00 C ATOM 1249 C LYS A 80 -5.356 11.376 5.266 1.00 0.00 C ATOM 1250 O LYS A 80 -6.393 11.453 4.589 1.00 0.00 O ATOM 1251 CB LYS A 80 -4.697 9.679 6.909 1.00 0.00 C ATOM 1252 CG LYS A 80 -4.431 9.302 8.357 1.00 0.00 C ATOM 1253 CD LYS A 80 -3.695 7.982 8.424 1.00 0.00 C ATOM 1254 CE LYS A 80 -3.327 7.564 9.844 1.00 0.00 C ATOM 1255 NZ LYS A 80 -2.388 8.502 10.513 1.00 0.00 N ATOM 0 H LYS A 80 -7.151 9.933 6.953 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.934 11.754 7.324 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.286 8.887 6.446 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -3.745 9.720 6.379 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.842 10.081 8.841 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.373 9.230 8.901 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -4.314 7.206 7.974 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.786 8.051 7.826 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -4.237 7.487 10.439 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.879 6.571 9.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -2.193 8.168 11.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -1.499 8.545 9.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -2.814 9.450 10.554 1.00 0.00 H new ATOM 1269 N SER A 81 -4.179 11.593 4.800 1.00 0.00 N ATOM 1270 CA SER A 81 -3.947 11.950 3.450 1.00 0.00 C ATOM 1271 C SER A 81 -4.187 10.745 2.555 1.00 0.00 C ATOM 1272 O SER A 81 -3.979 9.580 2.973 1.00 0.00 O ATOM 1273 CB SER A 81 -2.532 12.419 3.349 1.00 0.00 C ATOM 1274 OG SER A 81 -2.242 13.083 2.125 1.00 0.00 O ATOM 0 H SER A 81 -3.331 11.525 5.362 1.00 0.00 H new ATOM 0 HA SER A 81 -4.624 12.741 3.128 1.00 0.00 H new ATOM 0 HB2 SER A 81 -2.321 13.094 4.179 1.00 0.00 H new ATOM 0 HB3 SER A 81 -1.865 11.564 3.456 1.00 0.00 H new ATOM 0 HG SER A 81 -1.304 13.366 2.121 1.00 0.00 H new ATOM 1280 N GLY A 82 -4.590 11.018 1.369 1.00 0.00 N ATOM 1281 CA GLY A 82 -4.913 9.989 0.432 1.00 0.00 C ATOM 1282 C GLY A 82 -3.905 9.919 -0.672 1.00 0.00 C ATOM 1283 O GLY A 82 -2.754 10.315 -0.485 1.00 0.00 O ATOM 0 H GLY A 82 -4.708 11.966 1.012 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -4.959 9.029 0.946 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.902 10.174 0.013 1.00 0.00 H new ATOM 1287 N PHE A 83 -4.324 9.431 -1.805 1.00 0.00 N ATOM 1288 CA PHE A 83 -3.472 9.299 -2.937 1.00 0.00 C ATOM 1289 C PHE A 83 -3.727 10.449 -3.876 1.00 0.00 C ATOM 1290 O PHE A 83 -4.760 11.131 -3.778 1.00 0.00 O ATOM 1291 CB PHE A 83 -3.780 8.002 -3.667 1.00 0.00 C ATOM 1292 CG PHE A 83 -3.867 6.805 -2.773 1.00 0.00 C ATOM 1293 CD1 PHE A 83 -2.763 6.370 -2.080 1.00 0.00 C ATOM 1294 CD2 PHE A 83 -5.063 6.133 -2.608 1.00 0.00 C ATOM 1295 CE1 PHE A 83 -2.846 5.285 -1.242 1.00 0.00 C ATOM 1296 CE2 PHE A 83 -5.152 5.040 -1.766 1.00 0.00 C ATOM 1297 CZ PHE A 83 -4.040 4.618 -1.084 1.00 0.00 C ATOM 0 H PHE A 83 -5.280 9.112 -1.963 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.433 9.296 -2.607 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.724 8.113 -4.201 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.008 7.827 -4.417 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.821 6.886 -2.195 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -5.940 6.466 -3.144 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -1.970 4.953 -0.704 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -6.092 4.522 -1.646 1.00 0.00 H new ATOM 0 HZ PHE A 83 -4.101 3.765 -0.425 1.00 0.00 H new ATOM 1307 N LYS A 84 -2.821 10.656 -4.784 1.00 0.00 N ATOM 1308 CA LYS A 84 -2.958 11.690 -5.755 1.00 0.00 C ATOM 1309 C LYS A 84 -3.989 11.293 -6.793 1.00 0.00 C ATOM 1310 O LYS A 84 -3.903 10.233 -7.429 1.00 0.00 O ATOM 1311 CB LYS A 84 -1.623 11.989 -6.401 1.00 0.00 C ATOM 1312 CG LYS A 84 -1.652 13.097 -7.441 1.00 0.00 C ATOM 1313 CD LYS A 84 -0.276 13.341 -8.036 1.00 0.00 C ATOM 1314 CE LYS A 84 0.738 13.810 -6.995 1.00 0.00 C ATOM 1315 NZ LYS A 84 0.367 15.105 -6.373 1.00 0.00 N ATOM 0 H LYS A 84 -1.965 10.109 -4.869 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.301 12.598 -5.260 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.911 12.260 -5.622 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.251 11.079 -6.871 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.351 12.834 -8.235 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -2.020 14.016 -6.984 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.083 12.423 -8.500 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.353 14.088 -8.826 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.830 13.052 -6.217 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.717 13.905 -7.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 1.144 15.433 -5.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 0.189 15.809 -7.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.492 14.982 -5.801 1.00 0.00 H new ATOM 1329 N GLN A 85 -4.935 12.144 -6.964 1.00 0.00 N ATOM 1330 CA GLN A 85 -6.043 11.916 -7.868 1.00 0.00 C ATOM 1331 C GLN A 85 -6.004 12.959 -8.966 1.00 0.00 C ATOM 1332 O GLN A 85 -6.976 13.201 -9.679 1.00 0.00 O ATOM 1333 CB GLN A 85 -7.338 11.973 -7.066 1.00 0.00 C ATOM 1334 CG GLN A 85 -7.615 13.330 -6.430 1.00 0.00 C ATOM 1335 CD GLN A 85 -8.317 13.231 -5.098 1.00 0.00 C ATOM 1336 OE1 GLN A 85 -7.956 12.249 -4.309 1.00 0.00 O flip ATOM 1337 NE2 GLN A 85 -9.117 14.084 -4.747 1.00 0.00 N flip ATOM 0 H GLN A 85 -4.977 13.040 -6.478 1.00 0.00 H new ATOM 0 HA GLN A 85 -5.978 10.936 -8.340 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -8.170 11.713 -7.720 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.301 11.217 -6.282 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -6.672 13.861 -6.298 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.224 13.925 -7.111 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -9.376 14.835 -5.387 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -9.527 14.046 -3.814 1.00 0.00 H new ATOM 1346 N GLY A 86 -4.850 13.526 -9.105 1.00 0.00 N ATOM 1347 CA GLY A 86 -4.623 14.562 -10.050 1.00 0.00 C ATOM 1348 C GLY A 86 -4.174 15.796 -9.338 1.00 0.00 C ATOM 1349 O GLY A 86 -4.532 15.960 -8.146 1.00 0.00 O ATOM 1350 OXT GLY A 86 -3.461 16.612 -9.918 1.00 0.00 O ATOM 0 H GLY A 86 -4.028 13.276 -8.555 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -3.868 14.251 -10.772 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -5.536 14.764 -10.610 1.00 0.00 H new TER 1354 GLY A 86