USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 775 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 78 LYS NZ :NH3+ -178:sc= 0.53 (180deg=-0.347) USER MOD Set 1.2: A 81 GLN : amide:sc= 0.463 K(o=0.99,f=-7.7!) USER MOD Set 2.1: A 8 HIS : no HD1:sc= 0.974 K(o=2.2,f=-6.9!) USER MOD Set 2.2: A 24 TYR OH : rot -28:sc= 1.25 USER MOD Single : A 6 MET CE :methyl -171:sc= 0 (180deg=-0.108) USER MOD Single : A 7 ASN : amide:sc= 0.965 K(o=0.97,f=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 117:sc= 0.578 USER MOD Single : A 15 CYS SG : rot 180:sc= -0.169 USER MOD Single : A 16 LYS NZ :NH3+ -122:sc= 0.279 (180deg=-0.338) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -170:sc= -0.0152 USER MOD Single : A 25 THR OG1 : rot 116:sc= 0.509 USER MOD Single : A 26 THR OG1 : rot 110:sc= 0.189 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 165:sc= -0.0469 (180deg=-0.259) USER MOD Single : A 35 HIS : no HD1:sc= -0.0078 X(o=-0.0078,f=0) USER MOD Single : A 37 SER OG : rot 67:sc= 0.889 USER MOD Single : A 39 LYS NZ :NH3+ -163:sc= -0.0581 (180deg=-0.379) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 45:sc= 0.297 USER MOD Single : A 55 THR OG1 : rot -170:sc= -0.751 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0449) USER MOD Single : A 65 MET CE :methyl -99:sc= -0.0504 (180deg=-1.79!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -148:sc= 1.08 (180deg=0.484) USER MOD Single : A 73 HIS :FLIP no HE2:sc= -0.143 F(o=-0.68,f=-0.14) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 144:sc= 1.29 (180deg=0.623) USER MOD Single : A 84 SER OG : rot 69:sc= 0.581 USER MOD Single : A 86 LYS NZ :NH3+ 146:sc= 1.29 (180deg=0.491) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.385 K(o=-0.39,f=-9.5!) USER MOD Single : A 93 THR OG1 : rot 16:sc= 0.655 USER MOD Single : A 94 THR OG1 : rot 50:sc= 0.449 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 6 -1.417 -16.926 -4.961 1.00 0.00 N ATOM 2 CA MET A 6 -0.519 -16.253 -5.895 1.00 0.00 C ATOM 3 C MET A 6 0.370 -15.279 -5.130 1.00 0.00 C ATOM 4 O MET A 6 0.482 -15.364 -3.903 1.00 0.00 O ATOM 5 CB MET A 6 -1.311 -15.494 -6.961 1.00 0.00 C ATOM 6 CG MET A 6 -2.222 -16.366 -7.808 1.00 0.00 C ATOM 7 SD MET A 6 -1.327 -17.535 -8.848 1.00 0.00 S ATOM 8 CE MET A 6 -2.671 -18.183 -9.842 1.00 0.00 C ATOM 0 HA MET A 6 0.094 -17.005 -6.391 1.00 0.00 H new ATOM 0 HB2 MET A 6 -1.913 -14.729 -6.472 1.00 0.00 H new ATOM 0 HB3 MET A 6 -0.610 -14.977 -7.617 1.00 0.00 H new ATOM 0 HG2 MET A 6 -2.898 -16.916 -7.153 1.00 0.00 H new ATOM 0 HG3 MET A 6 -2.840 -15.728 -8.440 1.00 0.00 H new ATOM 0 HE1 MET A 6 -2.315 -19.032 -10.426 1.00 0.00 H new ATOM 0 HE2 MET A 6 -3.483 -18.506 -9.190 1.00 0.00 H new ATOM 0 HE3 MET A 6 -3.033 -17.406 -10.515 1.00 0.00 H new ATOM 18 N ASN A 7 0.989 -14.350 -5.841 1.00 0.00 N ATOM 19 CA ASN A 7 1.831 -13.340 -5.213 1.00 0.00 C ATOM 20 C ASN A 7 0.982 -12.122 -4.877 1.00 0.00 C ATOM 21 O ASN A 7 0.015 -11.824 -5.572 1.00 0.00 O ATOM 22 CB ASN A 7 2.979 -12.940 -6.140 1.00 0.00 C ATOM 23 CG ASN A 7 3.799 -14.130 -6.611 1.00 0.00 C ATOM 24 OD1 ASN A 7 4.806 -14.484 -6.002 1.00 0.00 O ATOM 25 ND2 ASN A 7 3.370 -14.750 -7.704 1.00 0.00 N ATOM 0 H ASN A 7 0.925 -14.273 -6.856 1.00 0.00 H new ATOM 0 HA ASN A 7 2.261 -13.752 -4.300 1.00 0.00 H new ATOM 0 HB2 ASN A 7 2.574 -12.418 -7.007 1.00 0.00 H new ATOM 0 HB3 ASN A 7 3.631 -12.238 -5.621 1.00 0.00 H new ATOM 0 HD21 ASN A 7 3.882 -15.553 -8.069 1.00 0.00 H new ATOM 0 HD22 ASN A 7 2.529 -14.423 -8.179 1.00 0.00 H new ATOM 32 N HIS A 8 1.326 -11.422 -3.812 1.00 0.00 N ATOM 33 CA HIS A 8 0.498 -10.317 -3.351 1.00 0.00 C ATOM 34 C HIS A 8 1.317 -9.038 -3.233 1.00 0.00 C ATOM 35 O HIS A 8 2.390 -9.029 -2.631 1.00 0.00 O ATOM 36 CB HIS A 8 -0.146 -10.659 -1.996 1.00 0.00 C ATOM 37 CG HIS A 8 -0.909 -11.957 -1.984 1.00 0.00 C ATOM 38 ND1 HIS A 8 -2.277 -12.037 -2.127 1.00 0.00 N ATOM 39 CD2 HIS A 8 -0.478 -13.236 -1.853 1.00 0.00 C ATOM 40 CE1 HIS A 8 -2.652 -13.301 -2.085 1.00 0.00 C ATOM 41 NE2 HIS A 8 -1.581 -14.054 -1.922 1.00 0.00 N ATOM 0 H HIS A 8 2.162 -11.594 -3.254 1.00 0.00 H new ATOM 0 HA HIS A 8 -0.290 -10.155 -4.086 1.00 0.00 H new ATOM 0 HB2 HIS A 8 0.635 -10.703 -1.236 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -0.821 -9.851 -1.713 1.00 0.00 H new ATOM 0 HD2 HIS A 8 0.545 -13.554 -1.719 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -3.667 -13.660 -2.170 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -1.573 -15.072 -1.858 1.00 0.00 H new ATOM 50 N TYR A 9 0.809 -7.965 -3.825 1.00 0.00 N ATOM 51 CA TYR A 9 1.445 -6.656 -3.732 1.00 0.00 C ATOM 52 C TYR A 9 0.541 -5.665 -3.013 1.00 0.00 C ATOM 53 O TYR A 9 -0.677 -5.671 -3.206 1.00 0.00 O ATOM 54 CB TYR A 9 1.751 -6.081 -5.115 1.00 0.00 C ATOM 55 CG TYR A 9 2.837 -6.792 -5.889 1.00 0.00 C ATOM 56 CD1 TYR A 9 4.176 -6.465 -5.710 1.00 0.00 C ATOM 57 CD2 TYR A 9 2.520 -7.762 -6.820 1.00 0.00 C ATOM 58 CE1 TYR A 9 5.168 -7.095 -6.441 1.00 0.00 C ATOM 59 CE2 TYR A 9 3.501 -8.401 -7.547 1.00 0.00 C ATOM 60 CZ TYR A 9 4.823 -8.064 -7.358 1.00 0.00 C ATOM 61 OH TYR A 9 5.802 -8.695 -8.098 1.00 0.00 O ATOM 0 H TYR A 9 -0.048 -7.976 -4.379 1.00 0.00 H new ATOM 0 HA TYR A 9 2.372 -6.801 -3.178 1.00 0.00 H new ATOM 0 HB2 TYR A 9 0.836 -6.098 -5.707 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.036 -5.035 -5.000 1.00 0.00 H new ATOM 0 HD1 TYR A 9 4.446 -5.708 -4.989 1.00 0.00 H new ATOM 0 HD2 TYR A 9 1.485 -8.024 -6.981 1.00 0.00 H new ATOM 0 HE1 TYR A 9 6.204 -6.829 -6.294 1.00 0.00 H new ATOM 0 HE2 TYR A 9 3.234 -9.164 -8.263 1.00 0.00 H new ATOM 0 HH TYR A 9 5.388 -9.351 -8.696 1.00 0.00 H new ATOM 71 N VAL A 10 1.137 -4.825 -2.187 1.00 0.00 N ATOM 72 CA VAL A 10 0.440 -3.671 -1.649 1.00 0.00 C ATOM 73 C VAL A 10 0.987 -2.418 -2.319 1.00 0.00 C ATOM 74 O VAL A 10 2.166 -2.101 -2.166 1.00 0.00 O ATOM 75 CB VAL A 10 0.616 -3.510 -0.122 1.00 0.00 C ATOM 76 CG1 VAL A 10 -0.422 -2.542 0.416 1.00 0.00 C ATOM 77 CG2 VAL A 10 0.532 -4.842 0.609 1.00 0.00 C ATOM 0 H VAL A 10 2.103 -4.920 -1.874 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.622 -3.818 -1.847 1.00 0.00 H new ATOM 0 HB VAL A 10 1.614 -3.110 0.057 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.293 -2.432 1.493 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.299 -1.572 -0.065 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.420 -2.926 0.207 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.661 -4.679 1.679 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.442 -5.296 0.426 1.00 0.00 H new ATOM 0 HG23 VAL A 10 1.316 -5.506 0.246 1.00 0.00 H new ATOM 87 N TYR A 11 0.163 -1.719 -3.080 1.00 0.00 N ATOM 88 CA TYR A 11 0.628 -0.521 -3.755 1.00 0.00 C ATOM 89 C TYR A 11 -0.030 0.706 -3.154 1.00 0.00 C ATOM 90 O TYR A 11 -1.192 0.665 -2.743 1.00 0.00 O ATOM 91 CB TYR A 11 0.361 -0.587 -5.269 1.00 0.00 C ATOM 92 CG TYR A 11 -1.066 -0.275 -5.680 1.00 0.00 C ATOM 93 CD1 TYR A 11 -2.051 -1.255 -5.678 1.00 0.00 C ATOM 94 CD2 TYR A 11 -1.420 1.009 -6.079 1.00 0.00 C ATOM 95 CE1 TYR A 11 -3.348 -0.964 -6.059 1.00 0.00 C ATOM 96 CE2 TYR A 11 -2.712 1.308 -6.461 1.00 0.00 C ATOM 97 CZ TYR A 11 -3.670 0.320 -6.450 1.00 0.00 C ATOM 98 OH TYR A 11 -4.957 0.619 -6.836 1.00 0.00 O ATOM 0 H TYR A 11 -0.816 -1.955 -3.244 1.00 0.00 H new ATOM 0 HA TYR A 11 1.706 -0.452 -3.613 1.00 0.00 H new ATOM 0 HB2 TYR A 11 1.030 0.112 -5.772 1.00 0.00 H new ATOM 0 HB3 TYR A 11 0.616 -1.585 -5.625 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -1.800 -2.260 -5.374 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -0.670 1.786 -6.090 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -4.104 -1.736 -6.051 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -2.970 2.311 -6.767 1.00 0.00 H new ATOM 0 HH TYR A 11 -5.342 1.271 -6.214 1.00 0.00 H new ATOM 108 N ILE A 12 0.718 1.789 -3.074 1.00 0.00 N ATOM 109 CA ILE A 12 0.157 3.045 -2.638 1.00 0.00 C ATOM 110 C ILE A 12 0.316 4.081 -3.756 1.00 0.00 C ATOM 111 O ILE A 12 1.428 4.436 -4.159 1.00 0.00 O ATOM 112 CB ILE A 12 0.790 3.521 -1.304 1.00 0.00 C ATOM 113 CG1 ILE A 12 0.011 4.699 -0.724 1.00 0.00 C ATOM 114 CG2 ILE A 12 2.253 3.893 -1.474 1.00 0.00 C ATOM 115 CD1 ILE A 12 0.506 5.132 0.638 1.00 0.00 C ATOM 0 H ILE A 12 1.711 1.821 -3.305 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.906 2.912 -2.435 1.00 0.00 H new ATOM 0 HB ILE A 12 0.737 2.685 -0.607 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.076 5.542 -1.411 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.042 4.428 -0.651 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.659 4.221 -0.517 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.811 3.025 -1.826 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.341 4.700 -2.201 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.091 5.973 0.992 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.415 4.302 1.339 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.551 5.434 0.566 1.00 0.00 H new ATOM 127 N LEU A 13 -0.808 4.517 -4.302 1.00 0.00 N ATOM 128 CA LEU A 13 -0.791 5.386 -5.467 1.00 0.00 C ATOM 129 C LEU A 13 -1.054 6.830 -5.064 1.00 0.00 C ATOM 130 O LEU A 13 -1.980 7.113 -4.305 1.00 0.00 O ATOM 131 CB LEU A 13 -1.837 4.921 -6.478 1.00 0.00 C ATOM 132 CG LEU A 13 -1.452 5.118 -7.944 1.00 0.00 C ATOM 133 CD1 LEU A 13 -0.259 4.241 -8.300 1.00 0.00 C ATOM 134 CD2 LEU A 13 -2.628 4.802 -8.845 1.00 0.00 C ATOM 0 H LEU A 13 -1.740 4.284 -3.959 1.00 0.00 H new ATOM 0 HA LEU A 13 0.196 5.333 -5.926 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.037 3.863 -6.310 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.767 5.456 -6.287 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.172 6.161 -8.093 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.004 4.392 -9.347 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.590 4.508 -7.671 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.516 3.194 -8.138 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.338 4.947 -9.886 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.934 3.767 -8.694 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.459 5.465 -8.604 1.00 0.00 H new ATOM 146 N GLU A 14 -0.230 7.730 -5.573 1.00 0.00 N ATOM 147 CA GLU A 14 -0.337 9.144 -5.258 1.00 0.00 C ATOM 148 C GLU A 14 -1.227 9.849 -6.261 1.00 0.00 C ATOM 149 O GLU A 14 -0.960 9.840 -7.467 1.00 0.00 O ATOM 150 CB GLU A 14 1.053 9.783 -5.247 1.00 0.00 C ATOM 151 CG GLU A 14 1.060 11.250 -4.852 1.00 0.00 C ATOM 152 CD GLU A 14 2.464 11.786 -4.674 1.00 0.00 C ATOM 153 OE1 GLU A 14 3.033 11.617 -3.576 1.00 0.00 O ATOM 154 OE2 GLU A 14 3.008 12.380 -5.626 1.00 0.00 O ATOM 0 H GLU A 14 0.530 7.502 -6.214 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.785 9.246 -4.269 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.690 9.229 -4.557 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.495 9.683 -6.238 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.544 11.833 -5.615 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.504 11.377 -3.923 1.00 0.00 H new ATOM 161 N CYS A 15 -2.297 10.436 -5.759 1.00 0.00 N ATOM 162 CA CYS A 15 -3.178 11.231 -6.584 1.00 0.00 C ATOM 163 C CYS A 15 -2.754 12.697 -6.517 1.00 0.00 C ATOM 164 O CYS A 15 -1.911 13.066 -5.697 1.00 0.00 O ATOM 165 CB CYS A 15 -4.630 11.058 -6.129 1.00 0.00 C ATOM 166 SG CYS A 15 -5.858 11.650 -7.316 1.00 0.00 S ATOM 0 H CYS A 15 -2.575 10.375 -4.780 1.00 0.00 H new ATOM 0 HA CYS A 15 -3.109 10.894 -7.618 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -4.813 10.002 -5.931 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -4.768 11.587 -5.186 1.00 0.00 H new ATOM 0 HG CYS A 15 -7.052 11.457 -6.838 1.00 0.00 H new ATOM 172 N LYS A 16 -3.355 13.516 -7.374 1.00 0.00 N ATOM 173 CA LYS A 16 -3.006 14.933 -7.508 1.00 0.00 C ATOM 174 C LYS A 16 -2.876 15.644 -6.160 1.00 0.00 C ATOM 175 O LYS A 16 -1.849 16.259 -5.875 1.00 0.00 O ATOM 176 CB LYS A 16 -4.068 15.637 -8.355 1.00 0.00 C ATOM 177 CG LYS A 16 -3.926 17.150 -8.397 1.00 0.00 C ATOM 178 CD LYS A 16 -5.023 17.783 -9.235 1.00 0.00 C ATOM 179 CE LYS A 16 -5.035 19.295 -9.087 1.00 0.00 C ATOM 180 NZ LYS A 16 -5.411 19.716 -7.711 1.00 0.00 N ATOM 0 H LYS A 16 -4.103 13.217 -8.000 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.030 14.981 -7.991 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.021 15.250 -9.373 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.054 15.386 -7.964 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.963 17.549 -7.383 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.952 17.415 -8.809 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.879 17.520 -10.283 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -5.990 17.379 -8.935 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.049 19.691 -9.331 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.737 19.724 -9.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -6.251 20.328 -7.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.623 18.875 -7.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.622 20.240 -7.280 1.00 0.00 H new ATOM 194 N ASP A 17 -3.903 15.544 -5.328 1.00 0.00 N ATOM 195 CA ASP A 17 -3.964 16.333 -4.102 1.00 0.00 C ATOM 196 C ASP A 17 -3.290 15.620 -2.928 1.00 0.00 C ATOM 197 O ASP A 17 -3.514 15.966 -1.766 1.00 0.00 O ATOM 198 CB ASP A 17 -5.420 16.664 -3.766 1.00 0.00 C ATOM 199 CG ASP A 17 -6.094 17.448 -4.878 1.00 0.00 C ATOM 200 OD1 ASP A 17 -5.753 18.633 -5.066 1.00 0.00 O ATOM 201 OD2 ASP A 17 -6.958 16.872 -5.577 1.00 0.00 O ATOM 0 H ASP A 17 -4.702 14.928 -5.477 1.00 0.00 H new ATOM 0 HA ASP A 17 -3.415 17.259 -4.274 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -5.970 15.740 -3.588 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -5.457 17.240 -2.842 1.00 0.00 H new ATOM 206 N GLY A 18 -2.451 14.636 -3.236 1.00 0.00 N ATOM 207 CA GLY A 18 -1.703 13.944 -2.203 1.00 0.00 C ATOM 208 C GLY A 18 -2.484 12.809 -1.577 1.00 0.00 C ATOM 209 O GLY A 18 -2.111 12.295 -0.521 1.00 0.00 O ATOM 0 H GLY A 18 -2.276 14.305 -4.185 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -0.780 13.552 -2.630 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -1.419 14.655 -1.427 1.00 0.00 H new ATOM 213 N SER A 19 -3.576 12.422 -2.217 1.00 0.00 N ATOM 214 CA SER A 19 -4.384 11.319 -1.730 1.00 0.00 C ATOM 215 C SER A 19 -3.731 9.990 -2.083 1.00 0.00 C ATOM 216 O SER A 19 -3.907 9.475 -3.192 1.00 0.00 O ATOM 217 CB SER A 19 -5.790 11.388 -2.322 1.00 0.00 C ATOM 218 OG SER A 19 -6.366 12.670 -2.120 1.00 0.00 O ATOM 0 H SER A 19 -3.921 12.855 -3.073 1.00 0.00 H new ATOM 0 HA SER A 19 -4.458 11.396 -0.645 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.750 11.167 -3.389 1.00 0.00 H new ATOM 0 HB3 SER A 19 -6.420 10.626 -1.862 1.00 0.00 H new ATOM 0 HG SER A 19 -7.265 12.690 -2.509 1.00 0.00 H new ATOM 224 N TRP A 20 -2.948 9.459 -1.157 1.00 0.00 N ATOM 225 CA TRP A 20 -2.305 8.174 -1.358 1.00 0.00 C ATOM 226 C TRP A 20 -3.301 7.044 -1.163 1.00 0.00 C ATOM 227 O TRP A 20 -3.925 6.928 -0.108 1.00 0.00 O ATOM 228 CB TRP A 20 -1.125 8.000 -0.401 1.00 0.00 C ATOM 229 CG TRP A 20 0.011 8.934 -0.665 1.00 0.00 C ATOM 230 CD1 TRP A 20 0.510 9.280 -1.884 1.00 0.00 C ATOM 231 CD2 TRP A 20 0.809 9.621 0.305 1.00 0.00 C ATOM 232 NE1 TRP A 20 1.556 10.155 -1.737 1.00 0.00 N ATOM 233 CE2 TRP A 20 1.763 10.376 -0.404 1.00 0.00 C ATOM 234 CE3 TRP A 20 0.807 9.677 1.701 1.00 0.00 C ATOM 235 CZ2 TRP A 20 2.704 11.174 0.235 1.00 0.00 C ATOM 236 CZ3 TRP A 20 1.745 10.469 2.333 1.00 0.00 C ATOM 237 CH2 TRP A 20 2.682 11.208 1.599 1.00 0.00 C ATOM 0 H TRP A 20 -2.744 9.899 -0.260 1.00 0.00 H new ATOM 0 HA TRP A 20 -1.930 8.142 -2.381 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -1.474 8.148 0.621 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -0.763 6.974 -0.469 1.00 0.00 H new ATOM 0 HD1 TRP A 20 0.136 8.918 -2.830 1.00 0.00 H new ATOM 0 HE1 TRP A 20 2.092 10.573 -2.498 1.00 0.00 H new ATOM 0 HE3 TRP A 20 0.086 9.112 2.274 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 3.427 11.747 -0.327 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 1.757 10.520 3.412 1.00 0.00 H new ATOM 0 HH2 TRP A 20 3.402 11.818 2.124 1.00 0.00 H new ATOM 248 N TYR A 21 -3.455 6.220 -2.179 1.00 0.00 N ATOM 249 CA TYR A 21 -4.373 5.098 -2.113 1.00 0.00 C ATOM 250 C TYR A 21 -3.616 3.809 -1.845 1.00 0.00 C ATOM 251 O TYR A 21 -2.873 3.333 -2.701 1.00 0.00 O ATOM 252 CB TYR A 21 -5.177 4.970 -3.410 1.00 0.00 C ATOM 253 CG TYR A 21 -6.085 3.760 -3.434 1.00 0.00 C ATOM 254 CD1 TYR A 21 -7.152 3.654 -2.550 1.00 0.00 C ATOM 255 CD2 TYR A 21 -5.869 2.721 -4.331 1.00 0.00 C ATOM 256 CE1 TYR A 21 -7.978 2.545 -2.561 1.00 0.00 C ATOM 257 CE2 TYR A 21 -6.694 1.612 -4.348 1.00 0.00 C ATOM 258 CZ TYR A 21 -7.745 1.528 -3.461 1.00 0.00 C ATOM 259 OH TYR A 21 -8.561 0.416 -3.468 1.00 0.00 O ATOM 0 H TYR A 21 -2.955 6.305 -3.064 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.067 5.280 -1.293 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -5.778 5.869 -3.547 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -4.488 4.915 -4.253 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -7.339 4.450 -1.844 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -5.044 2.781 -5.025 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -8.803 2.476 -1.867 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -6.515 0.814 -5.054 1.00 0.00 H new ATOM 0 HH TYR A 21 -8.261 -0.206 -4.164 1.00 0.00 H new ATOM 269 N THR A 22 -3.796 3.267 -0.653 1.00 0.00 N ATOM 270 CA THR A 22 -3.193 1.998 -0.296 1.00 0.00 C ATOM 271 C THR A 22 -4.107 0.856 -0.730 1.00 0.00 C ATOM 272 O THR A 22 -5.055 0.502 -0.025 1.00 0.00 O ATOM 273 CB THR A 22 -2.934 1.919 1.220 1.00 0.00 C ATOM 274 OG1 THR A 22 -2.305 3.132 1.658 1.00 0.00 O ATOM 275 CG2 THR A 22 -2.040 0.740 1.558 1.00 0.00 C ATOM 0 H THR A 22 -4.358 3.690 0.086 1.00 0.00 H new ATOM 0 HA THR A 22 -2.235 1.912 -0.809 1.00 0.00 H new ATOM 0 HB THR A 22 -3.889 1.786 1.728 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.997 3.025 2.582 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.873 0.707 2.635 1.00 0.00 H new ATOM 0 HG22 THR A 22 -2.520 -0.184 1.237 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.084 0.849 1.046 1.00 0.00 H new ATOM 283 N GLY A 23 -3.837 0.309 -1.906 1.00 0.00 N ATOM 284 CA GLY A 23 -4.717 -0.684 -2.483 1.00 0.00 C ATOM 285 C GLY A 23 -4.081 -2.052 -2.575 1.00 0.00 C ATOM 286 O GLY A 23 -2.889 -2.218 -2.308 1.00 0.00 O ATOM 0 H GLY A 23 -3.020 0.537 -2.473 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.624 -0.751 -1.883 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -5.017 -0.361 -3.480 1.00 0.00 H new ATOM 290 N TYR A 24 -4.880 -3.025 -2.973 1.00 0.00 N ATOM 291 CA TYR A 24 -4.437 -4.409 -3.052 1.00 0.00 C ATOM 292 C TYR A 24 -4.365 -4.870 -4.504 1.00 0.00 C ATOM 293 O TYR A 24 -5.206 -4.497 -5.326 1.00 0.00 O ATOM 294 CB TYR A 24 -5.396 -5.300 -2.253 1.00 0.00 C ATOM 295 CG TYR A 24 -5.163 -6.783 -2.429 1.00 0.00 C ATOM 296 CD1 TYR A 24 -4.057 -7.408 -1.867 1.00 0.00 C ATOM 297 CD2 TYR A 24 -6.056 -7.557 -3.157 1.00 0.00 C ATOM 298 CE1 TYR A 24 -3.846 -8.761 -2.029 1.00 0.00 C ATOM 299 CE2 TYR A 24 -5.854 -8.911 -3.321 1.00 0.00 C ATOM 300 CZ TYR A 24 -4.749 -9.508 -2.757 1.00 0.00 C ATOM 301 OH TYR A 24 -4.545 -10.858 -2.916 1.00 0.00 O ATOM 0 H TYR A 24 -5.851 -2.881 -3.250 1.00 0.00 H new ATOM 0 HA TYR A 24 -3.437 -4.486 -2.625 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -5.305 -5.053 -1.195 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -6.419 -5.068 -2.548 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -3.351 -6.825 -1.294 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -6.923 -7.091 -3.602 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -2.980 -9.233 -1.589 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -6.559 -9.500 -3.889 1.00 0.00 H new ATOM 0 HH TYR A 24 -3.585 -11.051 -2.877 1.00 0.00 H new ATOM 311 N THR A 25 -3.348 -5.656 -4.821 1.00 0.00 N ATOM 312 CA THR A 25 -3.204 -6.233 -6.146 1.00 0.00 C ATOM 313 C THR A 25 -2.464 -7.566 -6.060 1.00 0.00 C ATOM 314 O THR A 25 -1.606 -7.754 -5.195 1.00 0.00 O ATOM 315 CB THR A 25 -2.444 -5.275 -7.093 1.00 0.00 C ATOM 316 OG1 THR A 25 -3.104 -4.006 -7.121 1.00 0.00 O ATOM 317 CG2 THR A 25 -2.364 -5.834 -8.509 1.00 0.00 C ATOM 0 H THR A 25 -2.604 -5.910 -4.171 1.00 0.00 H new ATOM 0 HA THR A 25 -4.202 -6.397 -6.552 1.00 0.00 H new ATOM 0 HB THR A 25 -1.428 -5.163 -6.714 1.00 0.00 H new ATOM 0 HG1 THR A 25 -2.510 -3.320 -6.752 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.823 -5.134 -9.146 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.840 -6.790 -8.494 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.371 -5.978 -8.901 1.00 0.00 H new ATOM 325 N THR A 26 -2.837 -8.501 -6.922 1.00 0.00 N ATOM 326 CA THR A 26 -2.086 -9.731 -7.098 1.00 0.00 C ATOM 327 C THR A 26 -0.799 -9.418 -7.864 1.00 0.00 C ATOM 328 O THR A 26 -0.530 -8.254 -8.167 1.00 0.00 O ATOM 329 CB THR A 26 -2.916 -10.780 -7.865 1.00 0.00 C ATOM 330 OG1 THR A 26 -4.298 -10.663 -7.502 1.00 0.00 O ATOM 331 CG2 THR A 26 -2.437 -12.191 -7.550 1.00 0.00 C ATOM 0 H THR A 26 -3.664 -8.427 -7.515 1.00 0.00 H new ATOM 0 HA THR A 26 -1.847 -10.146 -6.119 1.00 0.00 H new ATOM 0 HB THR A 26 -2.792 -10.597 -8.932 1.00 0.00 H new ATOM 0 HG1 THR A 26 -4.806 -10.304 -8.259 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.039 -12.912 -8.104 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.391 -12.293 -7.839 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.538 -12.379 -6.481 1.00 0.00 H new ATOM 339 N ASP A 27 -0.005 -10.422 -8.180 1.00 0.00 N ATOM 340 CA ASP A 27 1.247 -10.181 -8.875 1.00 0.00 C ATOM 341 C ASP A 27 1.006 -9.656 -10.283 1.00 0.00 C ATOM 342 O ASP A 27 0.003 -9.977 -10.926 1.00 0.00 O ATOM 343 CB ASP A 27 2.108 -11.447 -8.927 1.00 0.00 C ATOM 344 CG ASP A 27 1.370 -12.652 -9.469 1.00 0.00 C ATOM 345 OD1 ASP A 27 1.153 -12.718 -10.693 1.00 0.00 O ATOM 346 OD2 ASP A 27 1.014 -13.539 -8.659 1.00 0.00 O ATOM 0 H ASP A 27 -0.199 -11.401 -7.971 1.00 0.00 H new ATOM 0 HA ASP A 27 1.786 -9.420 -8.310 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.984 -11.257 -9.547 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.471 -11.673 -7.924 1.00 0.00 H new ATOM 351 N VAL A 28 1.926 -8.811 -10.734 1.00 0.00 N ATOM 352 CA VAL A 28 1.851 -8.211 -12.059 1.00 0.00 C ATOM 353 C VAL A 28 1.888 -9.288 -13.136 1.00 0.00 C ATOM 354 O VAL A 28 1.402 -9.087 -14.247 1.00 0.00 O ATOM 355 CB VAL A 28 3.008 -7.213 -12.287 1.00 0.00 C ATOM 356 CG1 VAL A 28 2.830 -6.467 -13.601 1.00 0.00 C ATOM 357 CG2 VAL A 28 3.105 -6.238 -11.127 1.00 0.00 C ATOM 0 H VAL A 28 2.742 -8.524 -10.193 1.00 0.00 H new ATOM 0 HA VAL A 28 0.907 -7.670 -12.122 1.00 0.00 H new ATOM 0 HB VAL A 28 3.939 -7.778 -12.343 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.657 -5.770 -13.739 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.815 -7.180 -14.425 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.890 -5.915 -13.582 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.925 -5.542 -11.304 1.00 0.00 H new ATOM 0 HG22 VAL A 28 2.171 -5.683 -11.039 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.289 -6.788 -10.204 1.00 0.00 H new ATOM 367 N ASP A 29 2.439 -10.441 -12.782 1.00 0.00 N ATOM 368 CA ASP A 29 2.571 -11.555 -13.709 1.00 0.00 C ATOM 369 C ASP A 29 1.190 -12.063 -14.129 1.00 0.00 C ATOM 370 O ASP A 29 0.965 -12.400 -15.293 1.00 0.00 O ATOM 371 CB ASP A 29 3.392 -12.669 -13.061 1.00 0.00 C ATOM 372 CG ASP A 29 3.828 -13.723 -14.052 1.00 0.00 C ATOM 373 OD1 ASP A 29 4.574 -13.387 -14.991 1.00 0.00 O ATOM 374 OD2 ASP A 29 3.447 -14.897 -13.884 1.00 0.00 O ATOM 0 H ASP A 29 2.805 -10.629 -11.849 1.00 0.00 H new ATOM 0 HA ASP A 29 3.091 -11.218 -14.606 1.00 0.00 H new ATOM 0 HB2 ASP A 29 4.272 -12.237 -12.586 1.00 0.00 H new ATOM 0 HB3 ASP A 29 2.803 -13.138 -12.273 1.00 0.00 H new ATOM 379 N ARG A 30 0.269 -12.099 -13.170 1.00 0.00 N ATOM 380 CA ARG A 30 -1.137 -12.389 -13.441 1.00 0.00 C ATOM 381 C ARG A 30 -1.731 -11.369 -14.418 1.00 0.00 C ATOM 382 O ARG A 30 -2.478 -11.730 -15.328 1.00 0.00 O ATOM 383 CB ARG A 30 -1.935 -12.406 -12.121 1.00 0.00 C ATOM 384 CG ARG A 30 -3.411 -12.062 -12.272 1.00 0.00 C ATOM 385 CD ARG A 30 -4.180 -12.264 -10.973 1.00 0.00 C ATOM 386 NE ARG A 30 -4.338 -13.679 -10.628 1.00 0.00 N ATOM 387 CZ ARG A 30 -4.842 -14.114 -9.467 1.00 0.00 C ATOM 388 NH1 ARG A 30 -5.224 -13.249 -8.539 1.00 0.00 N ATOM 389 NH2 ARG A 30 -4.966 -15.414 -9.242 1.00 0.00 N ATOM 0 H ARG A 30 0.475 -11.929 -12.186 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.203 -13.373 -13.906 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -1.849 -13.396 -11.672 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -1.479 -11.700 -11.426 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -3.510 -11.026 -12.595 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -3.850 -12.683 -13.053 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -3.660 -11.752 -10.163 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -5.164 -11.803 -11.062 1.00 0.00 H new ATOM 0 HE ARG A 30 -4.046 -14.375 -11.314 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -5.135 -12.247 -8.708 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -5.608 -13.585 -7.656 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -4.677 -16.085 -9.954 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -5.350 -15.744 -8.357 1.00 0.00 H new ATOM 403 N ARG A 31 -1.375 -10.102 -14.234 1.00 0.00 N ATOM 404 CA ARG A 31 -1.920 -9.020 -15.050 1.00 0.00 C ATOM 405 C ARG A 31 -1.327 -9.034 -16.459 1.00 0.00 C ATOM 406 O ARG A 31 -2.058 -8.966 -17.449 1.00 0.00 O ATOM 407 CB ARG A 31 -1.658 -7.661 -14.382 1.00 0.00 C ATOM 408 CG ARG A 31 -2.322 -7.507 -13.019 1.00 0.00 C ATOM 409 CD ARG A 31 -3.826 -7.271 -13.131 1.00 0.00 C ATOM 410 NE ARG A 31 -4.144 -5.876 -13.445 1.00 0.00 N ATOM 411 CZ ARG A 31 -5.257 -5.257 -13.044 1.00 0.00 C ATOM 412 NH1 ARG A 31 -6.201 -5.929 -12.392 1.00 0.00 N ATOM 413 NH2 ARG A 31 -5.432 -3.967 -13.312 1.00 0.00 N ATOM 0 H ARG A 31 -0.709 -9.797 -13.524 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.996 -9.175 -15.133 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.583 -7.523 -14.269 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.014 -6.868 -15.041 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.140 -8.403 -12.425 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.864 -6.673 -12.486 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -4.237 -7.919 -13.905 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -4.307 -7.550 -12.193 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.475 -5.346 -14.003 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -6.077 -6.922 -12.196 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -7.049 -5.451 -12.088 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.716 -3.451 -13.824 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -6.282 -3.493 -13.006 1.00 0.00 H new ATOM 427 N ILE A 32 -0.002 -9.117 -16.550 1.00 0.00 N ATOM 428 CA ILE A 32 0.675 -9.092 -17.842 1.00 0.00 C ATOM 429 C ILE A 32 0.254 -10.274 -18.721 1.00 0.00 C ATOM 430 O ILE A 32 -0.078 -10.090 -19.893 1.00 0.00 O ATOM 431 CB ILE A 32 2.220 -9.046 -17.692 1.00 0.00 C ATOM 432 CG1 ILE A 32 2.892 -9.000 -19.066 1.00 0.00 C ATOM 433 CG2 ILE A 32 2.740 -10.224 -16.880 1.00 0.00 C ATOM 434 CD1 ILE A 32 4.395 -8.841 -19.002 1.00 0.00 C ATOM 0 H ILE A 32 0.621 -9.202 -15.747 1.00 0.00 H new ATOM 0 HA ILE A 32 0.365 -8.172 -18.337 1.00 0.00 H new ATOM 0 HB ILE A 32 2.472 -8.135 -17.149 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.655 -9.916 -19.608 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.472 -8.173 -19.639 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.825 -10.158 -16.796 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.297 -10.203 -15.884 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.471 -11.156 -17.377 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.802 -8.816 -20.013 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.641 -7.911 -18.489 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.827 -9.681 -18.458 1.00 0.00 H new ATOM 446 N LYS A 33 0.248 -11.484 -18.153 1.00 0.00 N ATOM 447 CA LYS A 33 -0.177 -12.665 -18.894 1.00 0.00 C ATOM 448 C LYS A 33 -1.633 -12.535 -19.331 1.00 0.00 C ATOM 449 O LYS A 33 -1.989 -12.938 -20.434 1.00 0.00 O ATOM 450 CB LYS A 33 0.001 -13.946 -18.080 1.00 0.00 C ATOM 451 CG LYS A 33 -0.328 -15.194 -18.888 1.00 0.00 C ATOM 452 CD LYS A 33 -0.220 -16.466 -18.063 1.00 0.00 C ATOM 453 CE LYS A 33 -0.600 -17.682 -18.894 1.00 0.00 C ATOM 454 NZ LYS A 33 -0.530 -18.941 -18.108 1.00 0.00 N ATOM 0 H LYS A 33 0.531 -11.666 -17.190 1.00 0.00 H new ATOM 0 HA LYS A 33 0.461 -12.732 -19.775 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.029 -14.007 -17.723 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -0.640 -13.906 -17.199 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -1.339 -15.108 -19.287 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.347 -15.259 -19.741 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.798 -16.578 -17.691 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -0.872 -16.397 -17.192 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -1.610 -17.554 -19.282 1.00 0.00 H new ATOM 0 HE3 LYS A 33 0.065 -17.755 -19.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -0.797 -19.743 -18.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 0.440 -19.078 -17.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.184 -18.883 -17.301 1.00 0.00 H new ATOM 468 N LYS A 34 -2.461 -11.957 -18.465 1.00 0.00 N ATOM 469 CA LYS A 34 -3.881 -11.776 -18.760 1.00 0.00 C ATOM 470 C LYS A 34 -4.061 -10.967 -20.040 1.00 0.00 C ATOM 471 O LYS A 34 -4.964 -11.231 -20.838 1.00 0.00 O ATOM 472 CB LYS A 34 -4.582 -11.076 -17.592 1.00 0.00 C ATOM 473 CG LYS A 34 -6.083 -10.935 -17.771 1.00 0.00 C ATOM 474 CD LYS A 34 -6.729 -10.280 -16.562 1.00 0.00 C ATOM 475 CE LYS A 34 -8.232 -10.151 -16.733 1.00 0.00 C ATOM 476 NZ LYS A 34 -8.887 -11.474 -16.914 1.00 0.00 N ATOM 0 H LYS A 34 -2.173 -11.605 -17.552 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.331 -12.758 -18.902 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.386 -11.634 -16.676 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.147 -10.085 -17.461 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.290 -10.342 -18.662 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.525 -11.918 -17.933 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.513 -10.868 -15.670 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.294 -9.293 -16.406 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -8.655 -9.653 -15.860 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -8.446 -9.519 -17.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -9.913 -11.376 -16.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.701 -11.825 -17.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -8.506 -12.148 -16.220 1.00 0.00 H new ATOM 490 N HIS A 35 -3.184 -9.994 -20.237 1.00 0.00 N ATOM 491 CA HIS A 35 -3.210 -9.179 -21.444 1.00 0.00 C ATOM 492 C HIS A 35 -2.805 -10.020 -22.650 1.00 0.00 C ATOM 493 O HIS A 35 -3.431 -9.949 -23.707 1.00 0.00 O ATOM 494 CB HIS A 35 -2.282 -7.967 -21.305 1.00 0.00 C ATOM 495 CG HIS A 35 -2.646 -7.055 -20.173 1.00 0.00 C ATOM 496 ND1 HIS A 35 -1.784 -6.107 -19.663 1.00 0.00 N ATOM 497 CD2 HIS A 35 -3.782 -6.958 -19.447 1.00 0.00 C ATOM 498 CE1 HIS A 35 -2.374 -5.472 -18.669 1.00 0.00 C ATOM 499 NE2 HIS A 35 -3.587 -5.968 -18.518 1.00 0.00 N ATOM 0 H HIS A 35 -2.446 -9.749 -19.577 1.00 0.00 H new ATOM 0 HA HIS A 35 -4.226 -8.813 -21.591 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -1.260 -8.318 -21.163 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -2.298 -7.400 -22.236 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -4.676 -7.550 -19.575 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -1.938 -4.680 -18.078 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -4.269 -5.665 -17.823 1.00 0.00 H new ATOM 508 N ALA A 36 -1.760 -10.825 -22.472 1.00 0.00 N ATOM 509 CA ALA A 36 -1.297 -11.740 -23.511 1.00 0.00 C ATOM 510 C ALA A 36 -2.384 -12.750 -23.876 1.00 0.00 C ATOM 511 O ALA A 36 -2.515 -13.146 -25.034 1.00 0.00 O ATOM 512 CB ALA A 36 -0.029 -12.452 -23.061 1.00 0.00 C ATOM 0 H ALA A 36 -1.215 -10.861 -21.611 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.070 -11.157 -24.404 1.00 0.00 H new ATOM 0 HB1 ALA A 36 0.305 -13.131 -23.846 1.00 0.00 H new ATOM 0 HB2 ALA A 36 0.750 -11.716 -22.862 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -0.233 -13.019 -22.153 1.00 0.00 H new ATOM 518 N SER A 37 -3.171 -13.151 -22.884 1.00 0.00 N ATOM 519 CA SER A 37 -4.273 -14.074 -23.103 1.00 0.00 C ATOM 520 C SER A 37 -5.372 -13.404 -23.917 1.00 0.00 C ATOM 521 O SER A 37 -6.063 -14.056 -24.700 1.00 0.00 O ATOM 522 CB SER A 37 -4.845 -14.535 -21.765 1.00 0.00 C ATOM 523 OG SER A 37 -3.830 -15.057 -20.922 1.00 0.00 O ATOM 0 H SER A 37 -3.063 -12.848 -21.916 1.00 0.00 H new ATOM 0 HA SER A 37 -3.895 -14.936 -23.653 1.00 0.00 H new ATOM 0 HB2 SER A 37 -5.337 -13.698 -21.270 1.00 0.00 H new ATOM 0 HB3 SER A 37 -5.606 -15.296 -21.936 1.00 0.00 H new ATOM 0 HG SER A 37 -3.216 -14.338 -20.665 1.00 0.00 H new ATOM 529 N GLY A 38 -5.523 -12.102 -23.732 1.00 0.00 N ATOM 530 CA GLY A 38 -6.547 -11.373 -24.444 1.00 0.00 C ATOM 531 C GLY A 38 -6.142 -11.041 -25.863 1.00 0.00 C ATOM 532 O GLY A 38 -6.996 -10.797 -26.716 1.00 0.00 O ATOM 0 H GLY A 38 -4.954 -11.538 -23.101 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -7.464 -11.963 -24.460 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -6.771 -10.450 -23.908 1.00 0.00 H new ATOM 536 N LYS A 39 -4.827 -11.027 -26.105 1.00 0.00 N ATOM 537 CA LYS A 39 -4.247 -10.744 -27.425 1.00 0.00 C ATOM 538 C LYS A 39 -4.434 -9.281 -27.820 1.00 0.00 C ATOM 539 O LYS A 39 -3.457 -8.540 -27.946 1.00 0.00 O ATOM 540 CB LYS A 39 -4.825 -11.670 -28.502 1.00 0.00 C ATOM 541 CG LYS A 39 -4.487 -13.135 -28.280 1.00 0.00 C ATOM 542 CD LYS A 39 -5.050 -14.016 -29.382 1.00 0.00 C ATOM 543 CE LYS A 39 -4.628 -15.464 -29.191 1.00 0.00 C ATOM 544 NZ LYS A 39 -3.151 -15.630 -29.240 1.00 0.00 N ATOM 0 H LYS A 39 -4.128 -11.213 -25.385 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.177 -10.938 -27.350 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.909 -11.554 -28.528 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.448 -11.361 -29.477 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.405 -13.256 -28.235 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.884 -13.458 -27.318 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.138 -13.948 -29.387 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.704 -13.658 -30.352 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.001 -15.826 -28.233 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.087 -16.079 -29.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.919 -16.632 -29.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -2.763 -15.060 -30.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.736 -15.314 -28.340 1.00 0.00 H new ATOM 558 N GLY A 40 -5.680 -8.872 -28.025 1.00 0.00 N ATOM 559 CA GLY A 40 -5.964 -7.489 -28.354 1.00 0.00 C ATOM 560 C GLY A 40 -5.723 -6.571 -27.177 1.00 0.00 C ATOM 561 O GLY A 40 -4.803 -5.757 -27.207 1.00 0.00 O ATOM 0 H GLY A 40 -6.500 -9.475 -27.969 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.339 -7.179 -29.191 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.000 -7.398 -28.680 1.00 0.00 H new ATOM 565 N ALA A 41 -6.558 -6.718 -26.143 1.00 0.00 N ATOM 566 CA ALA A 41 -6.432 -5.960 -24.896 1.00 0.00 C ATOM 567 C ALA A 41 -6.368 -4.454 -25.146 1.00 0.00 C ATOM 568 O ALA A 41 -5.286 -3.884 -25.309 1.00 0.00 O ATOM 569 CB ALA A 41 -5.219 -6.421 -24.100 1.00 0.00 C ATOM 0 H ALA A 41 -7.343 -7.369 -26.149 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.329 -6.157 -24.309 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.147 -5.843 -23.179 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.323 -7.479 -23.858 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.317 -6.272 -24.693 1.00 0.00 H new ATOM 575 N LYS A 42 -7.524 -3.811 -25.173 1.00 0.00 N ATOM 576 CA LYS A 42 -7.586 -2.382 -25.444 1.00 0.00 C ATOM 577 C LYS A 42 -7.117 -1.585 -24.236 1.00 0.00 C ATOM 578 O LYS A 42 -7.390 -1.951 -23.092 1.00 0.00 O ATOM 579 CB LYS A 42 -9.002 -1.965 -25.836 1.00 0.00 C ATOM 580 CG LYS A 42 -9.490 -2.628 -27.113 1.00 0.00 C ATOM 581 CD LYS A 42 -10.829 -2.067 -27.558 1.00 0.00 C ATOM 582 CE LYS A 42 -11.290 -2.710 -28.850 1.00 0.00 C ATOM 583 NZ LYS A 42 -12.551 -2.105 -29.344 1.00 0.00 N ATOM 0 H LYS A 42 -8.429 -4.253 -25.011 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.920 -2.169 -26.280 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -9.685 -2.212 -25.023 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -9.033 -0.883 -25.961 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.753 -2.483 -27.903 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -9.580 -3.703 -26.954 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -11.573 -2.235 -26.780 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.747 -0.989 -27.694 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.514 -2.602 -29.607 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.436 -3.779 -28.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -12.836 -2.570 -30.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -13.298 -2.230 -28.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.404 -1.090 -29.518 1.00 0.00 H new ATOM 597 N TYR A 43 -6.406 -0.497 -24.499 1.00 0.00 N ATOM 598 CA TYR A 43 -5.850 0.329 -23.439 1.00 0.00 C ATOM 599 C TYR A 43 -6.942 1.121 -22.716 1.00 0.00 C ATOM 600 O TYR A 43 -7.403 2.162 -23.186 1.00 0.00 O ATOM 601 CB TYR A 43 -4.753 1.260 -23.993 1.00 0.00 C ATOM 602 CG TYR A 43 -5.175 2.118 -25.174 1.00 0.00 C ATOM 603 CD1 TYR A 43 -5.261 1.586 -26.457 1.00 0.00 C ATOM 604 CD2 TYR A 43 -5.482 3.465 -25.003 1.00 0.00 C ATOM 605 CE1 TYR A 43 -5.641 2.368 -27.531 1.00 0.00 C ATOM 606 CE2 TYR A 43 -5.861 4.250 -26.071 1.00 0.00 C ATOM 607 CZ TYR A 43 -5.943 3.700 -27.332 1.00 0.00 C ATOM 608 OH TYR A 43 -6.325 4.485 -28.394 1.00 0.00 O ATOM 0 H TYR A 43 -6.201 -0.166 -25.442 1.00 0.00 H new ATOM 0 HA TYR A 43 -5.391 -0.332 -22.704 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -4.414 1.915 -23.190 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -3.899 0.653 -24.291 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -5.027 0.544 -26.616 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -5.422 3.902 -24.017 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -5.701 1.939 -28.520 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -6.093 5.294 -25.920 1.00 0.00 H new ATOM 0 HH TYR A 43 -6.502 5.396 -28.080 1.00 0.00 H new ATOM 618 N THR A 44 -7.383 0.593 -21.586 1.00 0.00 N ATOM 619 CA THR A 44 -8.371 1.267 -20.766 1.00 0.00 C ATOM 620 C THR A 44 -7.760 1.711 -19.440 1.00 0.00 C ATOM 621 O THR A 44 -7.594 0.907 -18.517 1.00 0.00 O ATOM 622 CB THR A 44 -9.595 0.364 -20.507 1.00 0.00 C ATOM 623 OG1 THR A 44 -9.169 -0.923 -20.035 1.00 0.00 O ATOM 624 CG2 THR A 44 -10.424 0.192 -21.773 1.00 0.00 C ATOM 0 H THR A 44 -7.070 -0.304 -21.216 1.00 0.00 H new ATOM 0 HA THR A 44 -8.706 2.148 -21.313 1.00 0.00 H new ATOM 0 HB THR A 44 -10.213 0.844 -19.748 1.00 0.00 H new ATOM 0 HG1 THR A 44 -8.479 -0.808 -19.349 1.00 0.00 H new ATOM 0 HG21 THR A 44 -11.280 -0.449 -21.563 1.00 0.00 H new ATOM 0 HG22 THR A 44 -10.775 1.166 -22.114 1.00 0.00 H new ATOM 0 HG23 THR A 44 -9.811 -0.265 -22.550 1.00 0.00 H new ATOM 632 N ARG A 45 -7.396 2.984 -19.361 1.00 0.00 N ATOM 633 CA ARG A 45 -6.826 3.546 -18.144 1.00 0.00 C ATOM 634 C ARG A 45 -7.926 4.002 -17.195 1.00 0.00 C ATOM 635 O ARG A 45 -9.086 4.119 -17.592 1.00 0.00 O ATOM 636 CB ARG A 45 -5.905 4.724 -18.476 1.00 0.00 C ATOM 637 CG ARG A 45 -4.527 4.300 -18.956 1.00 0.00 C ATOM 638 CD ARG A 45 -3.721 5.477 -19.491 1.00 0.00 C ATOM 639 NE ARG A 45 -3.685 6.617 -18.566 1.00 0.00 N ATOM 640 CZ ARG A 45 -2.564 7.099 -18.019 1.00 0.00 C ATOM 641 NH1 ARG A 45 -1.426 6.423 -18.133 1.00 0.00 N ATOM 642 NH2 ARG A 45 -2.595 8.227 -17.314 1.00 0.00 N ATOM 0 H ARG A 45 -7.486 3.649 -20.129 1.00 0.00 H new ATOM 0 HA ARG A 45 -6.241 2.767 -17.655 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -6.376 5.338 -19.244 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -5.796 5.350 -17.591 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -3.985 3.833 -18.134 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -4.631 3.547 -19.737 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -2.702 5.149 -19.694 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -4.147 5.800 -20.441 1.00 0.00 H new ATOM 0 HE ARG A 45 -4.568 7.068 -18.326 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -1.408 5.537 -18.638 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -0.571 6.790 -17.716 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -3.476 8.727 -17.190 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -1.738 8.592 -16.898 1.00 0.00 H new ATOM 656 N GLY A 46 -7.563 4.238 -15.942 1.00 0.00 N ATOM 657 CA GLY A 46 -8.516 4.752 -14.981 1.00 0.00 C ATOM 658 C GLY A 46 -8.739 6.241 -15.143 1.00 0.00 C ATOM 659 O GLY A 46 -9.016 6.718 -16.244 1.00 0.00 O ATOM 0 H GLY A 46 -6.624 4.082 -15.574 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -9.465 4.229 -15.096 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -8.160 4.547 -13.972 1.00 0.00 H new ATOM 663 N ARG A 47 -8.615 6.986 -14.057 1.00 0.00 N ATOM 664 CA ARG A 47 -8.771 8.433 -14.115 1.00 0.00 C ATOM 665 C ARG A 47 -7.415 9.114 -13.967 1.00 0.00 C ATOM 666 O ARG A 47 -6.875 9.652 -14.936 1.00 0.00 O ATOM 667 CB ARG A 47 -9.744 8.914 -13.033 1.00 0.00 C ATOM 668 CG ARG A 47 -10.106 10.388 -13.136 1.00 0.00 C ATOM 669 CD ARG A 47 -10.732 10.707 -14.483 1.00 0.00 C ATOM 670 NE ARG A 47 -11.167 12.098 -14.578 1.00 0.00 N ATOM 671 CZ ARG A 47 -10.877 12.901 -15.604 1.00 0.00 C ATOM 672 NH1 ARG A 47 -10.113 12.466 -16.600 1.00 0.00 N ATOM 673 NH2 ARG A 47 -11.350 14.138 -15.632 1.00 0.00 N ATOM 0 H ARG A 47 -8.408 6.617 -13.129 1.00 0.00 H new ATOM 0 HA ARG A 47 -9.188 8.701 -15.086 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -10.657 8.321 -13.091 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -9.304 8.726 -12.054 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -10.800 10.651 -12.338 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -9.212 10.995 -12.994 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -10.011 10.499 -15.274 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -11.586 10.050 -14.649 1.00 0.00 H new ATOM 0 HE ARG A 47 -11.726 12.479 -13.814 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -9.745 11.515 -16.583 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -9.894 13.083 -17.382 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -11.936 14.477 -14.869 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -11.128 14.751 -16.416 1.00 0.00 H new ATOM 687 N GLY A 48 -6.867 9.078 -12.759 1.00 0.00 N ATOM 688 CA GLY A 48 -5.563 9.664 -12.522 1.00 0.00 C ATOM 689 C GLY A 48 -5.628 10.829 -11.558 1.00 0.00 C ATOM 690 O GLY A 48 -6.692 11.110 -10.999 1.00 0.00 O ATOM 0 H GLY A 48 -7.302 8.654 -11.940 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.891 8.903 -12.125 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.140 10.001 -13.469 1.00 0.00 H new ATOM 694 N PRO A 49 -4.508 11.527 -11.321 1.00 0.00 N ATOM 695 CA PRO A 49 -3.192 11.172 -11.877 1.00 0.00 C ATOM 696 C PRO A 49 -2.618 9.907 -11.238 1.00 0.00 C ATOM 697 O PRO A 49 -3.048 9.502 -10.158 1.00 0.00 O ATOM 698 CB PRO A 49 -2.311 12.382 -11.536 1.00 0.00 C ATOM 699 CG PRO A 49 -3.256 13.456 -11.113 1.00 0.00 C ATOM 700 CD PRO A 49 -4.432 12.748 -10.516 1.00 0.00 C ATOM 0 HA PRO A 49 -3.250 10.960 -12.945 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.607 12.143 -10.739 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.722 12.694 -12.399 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.791 14.123 -10.387 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.558 14.069 -11.962 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -4.280 12.529 -9.459 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -5.344 13.341 -10.591 1.00 0.00 H new ATOM 708 N PHE A 50 -1.657 9.291 -11.910 1.00 0.00 N ATOM 709 CA PHE A 50 -1.069 8.050 -11.426 1.00 0.00 C ATOM 710 C PHE A 50 0.407 8.236 -11.091 1.00 0.00 C ATOM 711 O PHE A 50 1.249 8.255 -11.986 1.00 0.00 O ATOM 712 CB PHE A 50 -1.214 6.938 -12.474 1.00 0.00 C ATOM 713 CG PHE A 50 -2.633 6.648 -12.882 1.00 0.00 C ATOM 714 CD1 PHE A 50 -3.468 5.913 -12.057 1.00 0.00 C ATOM 715 CD2 PHE A 50 -3.128 7.106 -14.093 1.00 0.00 C ATOM 716 CE1 PHE A 50 -4.770 5.639 -12.431 1.00 0.00 C ATOM 717 CE2 PHE A 50 -4.428 6.835 -14.474 1.00 0.00 C ATOM 718 CZ PHE A 50 -5.252 6.103 -13.640 1.00 0.00 C ATOM 0 H PHE A 50 -1.268 9.629 -12.790 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.604 7.765 -10.520 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.643 7.215 -13.361 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.768 6.024 -12.080 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.097 5.550 -11.110 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.490 7.682 -14.747 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -5.410 5.063 -11.779 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -4.800 7.195 -15.422 1.00 0.00 H new ATOM 0 HZ PHE A 50 -6.270 5.894 -13.933 1.00 0.00 H new ATOM 728 N ARG A 51 0.712 8.401 -9.813 1.00 0.00 N ATOM 729 CA ARG A 51 2.098 8.420 -9.360 1.00 0.00 C ATOM 730 C ARG A 51 2.337 7.293 -8.370 1.00 0.00 C ATOM 731 O ARG A 51 1.729 7.252 -7.305 1.00 0.00 O ATOM 732 CB ARG A 51 2.461 9.770 -8.733 1.00 0.00 C ATOM 733 CG ARG A 51 2.831 10.837 -9.751 1.00 0.00 C ATOM 734 CD ARG A 51 3.208 12.150 -9.078 1.00 0.00 C ATOM 735 NE ARG A 51 3.820 13.091 -10.021 1.00 0.00 N ATOM 736 CZ ARG A 51 3.492 14.380 -10.122 1.00 0.00 C ATOM 737 NH1 ARG A 51 2.567 14.908 -9.326 1.00 0.00 N ATOM 738 NH2 ARG A 51 4.122 15.143 -11.007 1.00 0.00 N ATOM 0 H ARG A 51 0.022 8.523 -9.072 1.00 0.00 H new ATOM 0 HA ARG A 51 2.741 8.274 -10.228 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.618 10.123 -8.140 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.297 9.629 -8.047 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.665 10.487 -10.359 1.00 0.00 H new ATOM 0 HG3 ARG A 51 1.992 11.002 -10.427 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.318 12.602 -8.640 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.901 11.953 -8.260 1.00 0.00 H new ATOM 0 HE ARG A 51 4.547 12.736 -10.643 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.101 14.326 -8.630 1.00 0.00 H new ATOM 0 HH12 ARG A 51 2.324 15.895 -9.411 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.848 14.742 -11.601 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.880 16.130 -11.093 1.00 0.00 H new ATOM 752 N LEU A 52 3.201 6.362 -8.729 1.00 0.00 N ATOM 753 CA LEU A 52 3.490 5.234 -7.859 1.00 0.00 C ATOM 754 C LEU A 52 4.510 5.629 -6.797 1.00 0.00 C ATOM 755 O LEU A 52 5.680 5.875 -7.104 1.00 0.00 O ATOM 756 CB LEU A 52 4.005 4.045 -8.674 1.00 0.00 C ATOM 757 CG LEU A 52 4.276 2.774 -7.867 1.00 0.00 C ATOM 758 CD1 LEU A 52 2.988 2.258 -7.236 1.00 0.00 C ATOM 759 CD2 LEU A 52 4.902 1.711 -8.753 1.00 0.00 C ATOM 0 H LEU A 52 3.713 6.363 -9.611 1.00 0.00 H new ATOM 0 HA LEU A 52 2.566 4.938 -7.362 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.277 3.815 -9.452 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.926 4.341 -9.177 1.00 0.00 H new ATOM 0 HG LEU A 52 4.977 3.012 -7.067 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.199 1.353 -6.666 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.578 3.019 -6.571 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.264 2.032 -8.019 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.089 0.812 -8.166 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.223 1.474 -9.572 1.00 0.00 H new ATOM 0 HD23 LEU A 52 5.843 2.083 -9.158 1.00 0.00 H new ATOM 771 N VAL A 53 4.059 5.698 -5.548 1.00 0.00 N ATOM 772 CA VAL A 53 4.927 6.088 -4.445 1.00 0.00 C ATOM 773 C VAL A 53 5.789 4.913 -4.008 1.00 0.00 C ATOM 774 O VAL A 53 7.005 5.041 -3.871 1.00 0.00 O ATOM 775 CB VAL A 53 4.118 6.606 -3.239 1.00 0.00 C ATOM 776 CG1 VAL A 53 5.030 7.221 -2.187 1.00 0.00 C ATOM 777 CG2 VAL A 53 3.069 7.600 -3.688 1.00 0.00 C ATOM 0 H VAL A 53 3.098 5.489 -5.276 1.00 0.00 H new ATOM 0 HA VAL A 53 5.563 6.897 -4.804 1.00 0.00 H new ATOM 0 HB VAL A 53 3.612 5.755 -2.784 1.00 0.00 H new ATOM 0 HG11 VAL A 53 4.431 7.577 -1.349 1.00 0.00 H new ATOM 0 HG12 VAL A 53 5.737 6.470 -1.834 1.00 0.00 H new ATOM 0 HG13 VAL A 53 5.577 8.057 -2.623 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.509 7.954 -2.822 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.554 8.445 -4.176 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.387 7.118 -4.389 1.00 0.00 H new ATOM 787 N ALA A 54 5.152 3.767 -3.791 1.00 0.00 N ATOM 788 CA ALA A 54 5.861 2.556 -3.406 1.00 0.00 C ATOM 789 C ALA A 54 4.998 1.326 -3.633 1.00 0.00 C ATOM 790 O ALA A 54 3.784 1.432 -3.820 1.00 0.00 O ATOM 791 CB ALA A 54 6.291 2.627 -1.952 1.00 0.00 C ATOM 0 H ALA A 54 4.142 3.653 -3.876 1.00 0.00 H new ATOM 0 HA ALA A 54 6.750 2.476 -4.032 1.00 0.00 H new ATOM 0 HB1 ALA A 54 6.819 1.712 -1.684 1.00 0.00 H new ATOM 0 HB2 ALA A 54 6.951 3.483 -1.809 1.00 0.00 H new ATOM 0 HB3 ALA A 54 5.412 2.737 -1.317 1.00 0.00 H new ATOM 797 N THR A 55 5.634 0.163 -3.629 1.00 0.00 N ATOM 798 CA THR A 55 4.937 -1.102 -3.780 1.00 0.00 C ATOM 799 C THR A 55 5.620 -2.173 -2.932 1.00 0.00 C ATOM 800 O THR A 55 6.821 -2.411 -3.066 1.00 0.00 O ATOM 801 CB THR A 55 4.903 -1.559 -5.254 1.00 0.00 C ATOM 802 OG1 THR A 55 4.366 -0.516 -6.075 1.00 0.00 O ATOM 803 CG2 THR A 55 4.058 -2.814 -5.408 1.00 0.00 C ATOM 0 H THR A 55 6.644 0.072 -3.521 1.00 0.00 H new ATOM 0 HA THR A 55 3.910 -0.959 -3.444 1.00 0.00 H new ATOM 0 HB THR A 55 5.922 -1.783 -5.568 1.00 0.00 H new ATOM 0 HG1 THR A 55 4.199 -0.862 -6.976 1.00 0.00 H new ATOM 0 HG21 THR A 55 4.047 -3.119 -6.454 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.481 -3.614 -4.801 1.00 0.00 H new ATOM 0 HG23 THR A 55 3.039 -2.609 -5.079 1.00 0.00 H new ATOM 811 N TRP A 56 4.860 -2.802 -2.053 1.00 0.00 N ATOM 812 CA TRP A 56 5.403 -3.825 -1.169 1.00 0.00 C ATOM 813 C TRP A 56 4.958 -5.212 -1.617 1.00 0.00 C ATOM 814 O TRP A 56 3.768 -5.467 -1.782 1.00 0.00 O ATOM 815 CB TRP A 56 4.969 -3.564 0.274 1.00 0.00 C ATOM 816 CG TRP A 56 5.490 -2.270 0.822 1.00 0.00 C ATOM 817 CD1 TRP A 56 6.648 -2.083 1.519 1.00 0.00 C ATOM 818 CD2 TRP A 56 4.875 -0.980 0.711 1.00 0.00 C ATOM 819 NE1 TRP A 56 6.789 -0.756 1.846 1.00 0.00 N ATOM 820 CE2 TRP A 56 5.714 -0.061 1.365 1.00 0.00 C ATOM 821 CE3 TRP A 56 3.695 -0.514 0.125 1.00 0.00 C ATOM 822 CZ2 TRP A 56 5.414 1.294 1.448 1.00 0.00 C ATOM 823 CZ3 TRP A 56 3.397 0.832 0.209 1.00 0.00 C ATOM 824 CH2 TRP A 56 4.253 1.723 0.868 1.00 0.00 C ATOM 0 H TRP A 56 3.863 -2.624 -1.930 1.00 0.00 H new ATOM 0 HA TRP A 56 6.491 -3.782 -1.218 1.00 0.00 H new ATOM 0 HB2 TRP A 56 3.880 -3.560 0.324 1.00 0.00 H new ATOM 0 HB3 TRP A 56 5.314 -4.383 0.904 1.00 0.00 H new ATOM 0 HD1 TRP A 56 7.350 -2.863 1.776 1.00 0.00 H new ATOM 0 HE1 TRP A 56 7.570 -0.354 2.364 1.00 0.00 H new ATOM 0 HE3 TRP A 56 3.028 -1.194 -0.384 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 6.075 1.983 1.953 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 2.488 1.204 -0.241 1.00 0.00 H new ATOM 0 HH2 TRP A 56 3.991 2.769 0.919 1.00 0.00 H new ATOM 835 N ALA A 57 5.923 -6.094 -1.827 1.00 0.00 N ATOM 836 CA ALA A 57 5.642 -7.448 -2.275 1.00 0.00 C ATOM 837 C ALA A 57 5.680 -8.433 -1.114 1.00 0.00 C ATOM 838 O ALA A 57 6.682 -8.529 -0.399 1.00 0.00 O ATOM 839 CB ALA A 57 6.641 -7.863 -3.344 1.00 0.00 C ATOM 0 H ALA A 57 6.914 -5.894 -1.693 1.00 0.00 H new ATOM 0 HA ALA A 57 4.637 -7.462 -2.697 1.00 0.00 H new ATOM 0 HB1 ALA A 57 6.421 -8.879 -3.673 1.00 0.00 H new ATOM 0 HB2 ALA A 57 6.569 -7.183 -4.193 1.00 0.00 H new ATOM 0 HB3 ALA A 57 7.650 -7.825 -2.934 1.00 0.00 H new ATOM 845 N PHE A 58 4.590 -9.158 -0.928 1.00 0.00 N ATOM 846 CA PHE A 58 4.518 -10.194 0.091 1.00 0.00 C ATOM 847 C PHE A 58 4.029 -11.497 -0.523 1.00 0.00 C ATOM 848 O PHE A 58 2.913 -11.569 -1.041 1.00 0.00 O ATOM 849 CB PHE A 58 3.583 -9.787 1.235 1.00 0.00 C ATOM 850 CG PHE A 58 3.990 -8.519 1.927 1.00 0.00 C ATOM 851 CD1 PHE A 58 5.037 -8.516 2.836 1.00 0.00 C ATOM 852 CD2 PHE A 58 3.334 -7.327 1.664 1.00 0.00 C ATOM 853 CE1 PHE A 58 5.418 -7.352 3.472 1.00 0.00 C ATOM 854 CE2 PHE A 58 3.711 -6.160 2.297 1.00 0.00 C ATOM 855 CZ PHE A 58 4.756 -6.172 3.200 1.00 0.00 C ATOM 0 H PHE A 58 3.736 -9.047 -1.474 1.00 0.00 H new ATOM 0 HA PHE A 58 5.520 -10.332 0.497 1.00 0.00 H new ATOM 0 HB2 PHE A 58 2.573 -9.668 0.842 1.00 0.00 H new ATOM 0 HB3 PHE A 58 3.547 -10.594 1.967 1.00 0.00 H new ATOM 0 HD1 PHE A 58 5.561 -9.436 3.049 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.519 -7.311 0.956 1.00 0.00 H new ATOM 0 HE1 PHE A 58 6.233 -7.364 4.181 1.00 0.00 H new ATOM 0 HE2 PHE A 58 3.189 -5.238 2.086 1.00 0.00 H new ATOM 0 HZ PHE A 58 5.055 -5.259 3.693 1.00 0.00 H new ATOM 865 N PRO A 59 4.863 -12.544 -0.491 1.00 0.00 N ATOM 866 CA PRO A 59 4.495 -13.869 -1.006 1.00 0.00 C ATOM 867 C PRO A 59 3.458 -14.566 -0.130 1.00 0.00 C ATOM 868 O PRO A 59 2.970 -15.645 -0.472 1.00 0.00 O ATOM 869 CB PRO A 59 5.821 -14.649 -0.989 1.00 0.00 C ATOM 870 CG PRO A 59 6.883 -13.621 -0.784 1.00 0.00 C ATOM 871 CD PRO A 59 6.240 -12.527 0.015 1.00 0.00 C ATOM 0 HA PRO A 59 4.038 -13.804 -1.994 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.831 -15.389 -0.189 1.00 0.00 H new ATOM 0 HB3 PRO A 59 5.972 -15.188 -1.924 1.00 0.00 H new ATOM 0 HG2 PRO A 59 7.738 -14.042 -0.255 1.00 0.00 H new ATOM 0 HG3 PRO A 59 7.252 -13.244 -1.738 1.00 0.00 H new ATOM 0 HD2 PRO A 59 6.283 -12.725 1.086 1.00 0.00 H new ATOM 0 HD3 PRO A 59 6.723 -11.564 -0.150 1.00 0.00 H new ATOM 879 N SER A 60 3.114 -13.947 0.991 1.00 0.00 N ATOM 880 CA SER A 60 2.158 -14.531 1.916 1.00 0.00 C ATOM 881 C SER A 60 0.870 -13.720 1.941 1.00 0.00 C ATOM 882 O SER A 60 0.900 -12.489 2.042 1.00 0.00 O ATOM 883 CB SER A 60 2.749 -14.613 3.324 1.00 0.00 C ATOM 884 OG SER A 60 1.807 -15.162 4.234 1.00 0.00 O ATOM 0 H SER A 60 3.483 -13.041 1.280 1.00 0.00 H new ATOM 0 HA SER A 60 1.931 -15.540 1.572 1.00 0.00 H new ATOM 0 HB2 SER A 60 3.649 -15.227 3.310 1.00 0.00 H new ATOM 0 HB3 SER A 60 3.047 -13.619 3.657 1.00 0.00 H new ATOM 0 HG SER A 60 2.205 -15.208 5.129 1.00 0.00 H new ATOM 890 N LYS A 61 -0.261 -14.413 1.827 1.00 0.00 N ATOM 891 CA LYS A 61 -1.562 -13.773 1.935 1.00 0.00 C ATOM 892 C LYS A 61 -1.735 -13.159 3.321 1.00 0.00 C ATOM 893 O LYS A 61 -2.365 -12.116 3.471 1.00 0.00 O ATOM 894 CB LYS A 61 -2.692 -14.769 1.646 1.00 0.00 C ATOM 895 CG LYS A 61 -2.782 -15.912 2.645 1.00 0.00 C ATOM 896 CD LYS A 61 -3.925 -16.860 2.314 1.00 0.00 C ATOM 897 CE LYS A 61 -4.009 -18.007 3.311 1.00 0.00 C ATOM 898 NZ LYS A 61 -4.420 -17.550 4.665 1.00 0.00 N ATOM 0 H LYS A 61 -0.298 -15.418 1.660 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.614 -12.980 1.189 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -3.641 -14.233 1.637 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -2.550 -15.183 0.648 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -1.842 -16.464 2.652 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -2.923 -15.509 3.648 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.866 -16.310 2.312 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.787 -17.260 1.309 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -4.721 -18.749 2.949 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -3.039 -18.501 3.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -4.595 -18.376 5.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -3.664 -16.969 5.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -5.290 -16.985 4.591 1.00 0.00 H new ATOM 912 N GLU A 62 -1.133 -13.802 4.321 1.00 0.00 N ATOM 913 CA GLU A 62 -1.265 -13.371 5.709 1.00 0.00 C ATOM 914 C GLU A 62 -0.674 -11.982 5.884 1.00 0.00 C ATOM 915 O GLU A 62 -1.329 -11.077 6.412 1.00 0.00 O ATOM 916 CB GLU A 62 -0.556 -14.361 6.637 1.00 0.00 C ATOM 917 CG GLU A 62 -0.904 -14.189 8.106 1.00 0.00 C ATOM 918 CD GLU A 62 -2.388 -14.330 8.375 1.00 0.00 C ATOM 919 OE1 GLU A 62 -2.978 -15.355 7.976 1.00 0.00 O ATOM 920 OE2 GLU A 62 -2.973 -13.410 8.977 1.00 0.00 O ATOM 0 H GLU A 62 -0.547 -14.627 4.193 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.324 -13.340 5.967 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.810 -15.376 6.331 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.521 -14.251 6.514 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.360 -14.929 8.693 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.570 -13.208 8.442 1.00 0.00 H new ATOM 927 N GLU A 63 0.559 -11.819 5.418 1.00 0.00 N ATOM 928 CA GLU A 63 1.246 -10.539 5.495 1.00 0.00 C ATOM 929 C GLU A 63 0.514 -9.483 4.677 1.00 0.00 C ATOM 930 O GLU A 63 0.363 -8.352 5.118 1.00 0.00 O ATOM 931 CB GLU A 63 2.693 -10.668 5.014 1.00 0.00 C ATOM 932 CG GLU A 63 3.564 -11.497 5.941 1.00 0.00 C ATOM 933 CD GLU A 63 5.034 -11.410 5.593 1.00 0.00 C ATOM 934 OE1 GLU A 63 5.698 -10.456 6.049 1.00 0.00 O ATOM 935 OE2 GLU A 63 5.536 -12.300 4.875 1.00 0.00 O ATOM 0 H GLU A 63 1.104 -12.562 4.981 1.00 0.00 H new ATOM 0 HA GLU A 63 1.254 -10.226 6.539 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.700 -11.119 4.022 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.125 -9.672 4.915 1.00 0.00 H new ATOM 0 HG2 GLU A 63 3.417 -11.161 6.968 1.00 0.00 H new ATOM 0 HG3 GLU A 63 3.245 -12.539 5.898 1.00 0.00 H new ATOM 942 N ALA A 64 0.045 -9.873 3.497 1.00 0.00 N ATOM 943 CA ALA A 64 -0.676 -8.959 2.616 1.00 0.00 C ATOM 944 C ALA A 64 -1.927 -8.404 3.293 1.00 0.00 C ATOM 945 O ALA A 64 -2.161 -7.195 3.286 1.00 0.00 O ATOM 946 CB ALA A 64 -1.048 -9.660 1.322 1.00 0.00 C ATOM 0 H ALA A 64 0.151 -10.818 3.127 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.016 -8.121 2.391 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.585 -8.967 0.674 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.143 -9.999 0.819 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.684 -10.518 1.542 1.00 0.00 H new ATOM 952 N MET A 65 -2.721 -9.292 3.879 1.00 0.00 N ATOM 953 CA MET A 65 -3.955 -8.889 4.547 1.00 0.00 C ATOM 954 C MET A 65 -3.654 -8.046 5.778 1.00 0.00 C ATOM 955 O MET A 65 -4.304 -7.033 6.028 1.00 0.00 O ATOM 956 CB MET A 65 -4.768 -10.116 4.962 1.00 0.00 C ATOM 957 CG MET A 65 -5.185 -10.998 3.801 1.00 0.00 C ATOM 958 SD MET A 65 -5.967 -12.530 4.344 1.00 0.00 S ATOM 959 CE MET A 65 -6.192 -13.361 2.773 1.00 0.00 C ATOM 0 H MET A 65 -2.534 -10.294 3.906 1.00 0.00 H new ATOM 0 HA MET A 65 -4.535 -8.294 3.841 1.00 0.00 H new ATOM 0 HB2 MET A 65 -4.181 -10.709 5.663 1.00 0.00 H new ATOM 0 HB3 MET A 65 -5.660 -9.786 5.493 1.00 0.00 H new ATOM 0 HG2 MET A 65 -5.875 -10.448 3.161 1.00 0.00 H new ATOM 0 HG3 MET A 65 -4.310 -11.235 3.196 1.00 0.00 H new ATOM 0 HE1 MET A 65 -7.218 -13.223 2.432 1.00 0.00 H new ATOM 0 HE2 MET A 65 -5.506 -12.941 2.038 1.00 0.00 H new ATOM 0 HE3 MET A 65 -5.989 -14.425 2.892 1.00 0.00 H new ATOM 969 N ARG A 66 -2.653 -8.474 6.534 1.00 0.00 N ATOM 970 CA ARG A 66 -2.314 -7.839 7.801 1.00 0.00 C ATOM 971 C ARG A 66 -1.702 -6.459 7.582 1.00 0.00 C ATOM 972 O ARG A 66 -2.084 -5.493 8.244 1.00 0.00 O ATOM 973 CB ARG A 66 -1.345 -8.733 8.574 1.00 0.00 C ATOM 974 CG ARG A 66 -0.976 -8.208 9.946 1.00 0.00 C ATOM 975 CD ARG A 66 -0.147 -9.217 10.720 1.00 0.00 C ATOM 976 NE ARG A 66 0.260 -8.691 12.019 1.00 0.00 N ATOM 977 CZ ARG A 66 0.027 -9.295 13.182 1.00 0.00 C ATOM 978 NH1 ARG A 66 -0.606 -10.465 13.221 1.00 0.00 N ATOM 979 NH2 ARG A 66 0.428 -8.722 14.308 1.00 0.00 N ATOM 0 H ARG A 66 -2.057 -9.265 6.290 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.229 -7.707 8.379 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -1.789 -9.722 8.683 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -0.435 -8.856 7.987 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -0.417 -7.278 9.843 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -1.883 -7.975 10.504 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.723 -10.131 10.861 1.00 0.00 H new ATOM 0 HD3 ARG A 66 0.737 -9.484 10.141 1.00 0.00 H new ATOM 0 HE ARG A 66 0.757 -7.800 12.037 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.917 -10.906 12.355 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -0.780 -10.921 14.117 1.00 0.00 H new ATOM 0 HH21 ARG A 66 0.911 -7.824 14.279 1.00 0.00 H new ATOM 0 HH22 ARG A 66 0.253 -9.179 15.203 1.00 0.00 H new ATOM 993 N TRP A 67 -0.765 -6.377 6.647 1.00 0.00 N ATOM 994 CA TRP A 67 -0.066 -5.130 6.363 1.00 0.00 C ATOM 995 C TRP A 67 -1.055 -4.050 5.939 1.00 0.00 C ATOM 996 O TRP A 67 -1.073 -2.954 6.503 1.00 0.00 O ATOM 997 CB TRP A 67 0.972 -5.356 5.256 1.00 0.00 C ATOM 998 CG TRP A 67 1.992 -4.263 5.148 1.00 0.00 C ATOM 999 CD1 TRP A 67 3.234 -4.254 5.704 1.00 0.00 C ATOM 1000 CD2 TRP A 67 1.863 -3.028 4.437 1.00 0.00 C ATOM 1001 NE1 TRP A 67 3.882 -3.085 5.399 1.00 0.00 N ATOM 1002 CE2 TRP A 67 3.062 -2.316 4.618 1.00 0.00 C ATOM 1003 CE3 TRP A 67 0.850 -2.454 3.670 1.00 0.00 C ATOM 1004 CZ2 TRP A 67 3.274 -1.062 4.056 1.00 0.00 C ATOM 1005 CZ3 TRP A 67 1.062 -1.211 3.111 1.00 0.00 C ATOM 1006 CH2 TRP A 67 2.264 -0.526 3.307 1.00 0.00 C ATOM 0 H TRP A 67 -0.470 -7.164 6.069 1.00 0.00 H new ATOM 0 HA TRP A 67 0.442 -4.799 7.269 1.00 0.00 H new ATOM 0 HB2 TRP A 67 1.484 -6.301 5.439 1.00 0.00 H new ATOM 0 HB3 TRP A 67 0.455 -5.453 4.301 1.00 0.00 H new ATOM 0 HD1 TRP A 67 3.650 -5.053 6.300 1.00 0.00 H new ATOM 0 HE1 TRP A 67 4.821 -2.830 5.704 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -0.084 -2.974 3.516 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 4.202 -0.531 4.206 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 0.286 -0.759 2.511 1.00 0.00 H new ATOM 0 HH2 TRP A 67 2.398 0.447 2.857 1.00 0.00 H new ATOM 1017 N GLU A 68 -1.873 -4.373 4.946 1.00 0.00 N ATOM 1018 CA GLU A 68 -2.855 -3.434 4.421 1.00 0.00 C ATOM 1019 C GLU A 68 -3.805 -2.988 5.522 1.00 0.00 C ATOM 1020 O GLU A 68 -4.071 -1.796 5.689 1.00 0.00 O ATOM 1021 CB GLU A 68 -3.655 -4.085 3.302 1.00 0.00 C ATOM 1022 CG GLU A 68 -4.423 -3.089 2.456 1.00 0.00 C ATOM 1023 CD GLU A 68 -5.537 -3.736 1.670 1.00 0.00 C ATOM 1024 OE1 GLU A 68 -5.261 -4.639 0.859 1.00 0.00 O ATOM 1025 OE2 GLU A 68 -6.709 -3.348 1.867 1.00 0.00 O ATOM 0 H GLU A 68 -1.875 -5.283 4.486 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.324 -2.565 4.032 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.977 -4.649 2.661 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.355 -4.800 3.734 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.840 -2.315 3.100 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.736 -2.596 1.768 1.00 0.00 H new ATOM 1032 N TYR A 69 -4.316 -3.969 6.258 1.00 0.00 N ATOM 1033 CA TYR A 69 -5.232 -3.721 7.366 1.00 0.00 C ATOM 1034 C TYR A 69 -4.647 -2.704 8.338 1.00 0.00 C ATOM 1035 O TYR A 69 -5.295 -1.713 8.678 1.00 0.00 O ATOM 1036 CB TYR A 69 -5.532 -5.036 8.101 1.00 0.00 C ATOM 1037 CG TYR A 69 -6.472 -4.890 9.276 1.00 0.00 C ATOM 1038 CD1 TYR A 69 -7.846 -4.940 9.098 1.00 0.00 C ATOM 1039 CD2 TYR A 69 -5.982 -4.713 10.566 1.00 0.00 C ATOM 1040 CE1 TYR A 69 -8.708 -4.813 10.169 1.00 0.00 C ATOM 1041 CE2 TYR A 69 -6.838 -4.588 11.642 1.00 0.00 C ATOM 1042 CZ TYR A 69 -8.198 -4.638 11.439 1.00 0.00 C ATOM 1043 OH TYR A 69 -9.053 -4.505 12.508 1.00 0.00 O ATOM 0 H TYR A 69 -4.108 -4.956 6.104 1.00 0.00 H new ATOM 0 HA TYR A 69 -6.159 -3.314 6.961 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -5.961 -5.745 7.393 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -4.594 -5.465 8.452 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -8.248 -5.081 8.106 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -4.915 -4.673 10.728 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -9.776 -4.850 10.013 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -6.442 -4.452 12.638 1.00 0.00 H new ATOM 0 HH TYR A 69 -8.533 -4.390 13.331 1.00 0.00 H new ATOM 1053 N GLU A 70 -3.420 -2.950 8.768 1.00 0.00 N ATOM 1054 CA GLU A 70 -2.769 -2.097 9.750 1.00 0.00 C ATOM 1055 C GLU A 70 -2.649 -0.661 9.238 1.00 0.00 C ATOM 1056 O GLU A 70 -3.076 0.283 9.903 1.00 0.00 O ATOM 1057 CB GLU A 70 -1.388 -2.657 10.099 1.00 0.00 C ATOM 1058 CG GLU A 70 -0.738 -1.976 11.289 1.00 0.00 C ATOM 1059 CD GLU A 70 0.608 -2.571 11.646 1.00 0.00 C ATOM 1060 OE1 GLU A 70 0.649 -3.711 12.161 1.00 0.00 O ATOM 1061 OE2 GLU A 70 1.636 -1.891 11.446 1.00 0.00 O ATOM 0 H GLU A 70 -2.853 -3.736 8.451 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.383 -2.082 10.650 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -1.480 -3.723 10.307 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.735 -2.556 9.232 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.614 -0.915 11.071 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -1.402 -2.049 12.150 1.00 0.00 H new ATOM 1068 N VAL A 71 -2.099 -0.508 8.037 1.00 0.00 N ATOM 1069 CA VAL A 71 -1.900 0.812 7.443 1.00 0.00 C ATOM 1070 C VAL A 71 -3.230 1.539 7.232 1.00 0.00 C ATOM 1071 O VAL A 71 -3.330 2.746 7.463 1.00 0.00 O ATOM 1072 CB VAL A 71 -1.139 0.716 6.101 1.00 0.00 C ATOM 1073 CG1 VAL A 71 -0.955 2.094 5.477 1.00 0.00 C ATOM 1074 CG2 VAL A 71 0.208 0.040 6.310 1.00 0.00 C ATOM 0 H VAL A 71 -1.782 -1.283 7.454 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.298 1.387 8.146 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.732 0.113 5.413 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.417 1.997 4.534 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -1.931 2.544 5.293 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -0.386 2.728 6.157 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.735 -0.022 5.358 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.801 0.621 7.016 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.054 -0.964 6.706 1.00 0.00 H new ATOM 1084 N LYS A 72 -4.256 0.800 6.816 1.00 0.00 N ATOM 1085 CA LYS A 72 -5.584 1.376 6.616 1.00 0.00 C ATOM 1086 C LYS A 72 -6.155 1.931 7.920 1.00 0.00 C ATOM 1087 O LYS A 72 -6.917 2.901 7.908 1.00 0.00 O ATOM 1088 CB LYS A 72 -6.555 0.343 6.043 1.00 0.00 C ATOM 1089 CG LYS A 72 -6.639 0.348 4.523 1.00 0.00 C ATOM 1090 CD LYS A 72 -7.725 -0.598 4.036 1.00 0.00 C ATOM 1091 CE LYS A 72 -8.074 -0.364 2.572 1.00 0.00 C ATOM 1092 NZ LYS A 72 -6.955 -0.714 1.659 1.00 0.00 N ATOM 0 H LYS A 72 -4.194 -0.197 6.611 1.00 0.00 H new ATOM 0 HA LYS A 72 -5.468 2.193 5.904 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.252 -0.649 6.377 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.548 0.527 6.452 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.846 1.358 4.170 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -5.678 0.053 4.101 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.394 -1.628 4.169 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.619 -0.468 4.647 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -8.951 -0.957 2.311 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -8.343 0.683 2.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -6.978 -0.091 0.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -6.050 -0.593 2.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -7.053 -1.703 1.353 1.00 0.00 H new ATOM 1106 N HIS A 73 -5.787 1.319 9.037 1.00 0.00 N ATOM 1107 CA HIS A 73 -6.325 1.715 10.335 1.00 0.00 C ATOM 1108 C HIS A 73 -5.385 2.681 11.052 1.00 0.00 C ATOM 1109 O HIS A 73 -5.629 3.064 12.199 1.00 0.00 O ATOM 1110 CB HIS A 73 -6.593 0.481 11.209 1.00 0.00 C ATOM 1111 CG HIS A 73 -7.750 -0.354 10.736 1.00 0.00 C ATOM 1112 ND1 HIS A 73 -7.978 -0.951 9.544 1.00 0.00 N flip ATOM 1113 CD2 HIS A 73 -8.845 -0.650 11.522 1.00 0.00 C flip ATOM 1114 CE1 HIS A 73 -9.188 -1.587 9.631 1.00 0.00 C flip ATOM 1115 NE2 HIS A 73 -9.692 -1.393 10.832 1.00 0.00 N flip ATOM 0 H HIS A 73 -5.120 0.548 9.073 1.00 0.00 H new ATOM 0 HA HIS A 73 -7.269 2.231 10.161 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.696 -0.138 11.234 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -6.785 0.806 12.232 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -7.363 -0.931 8.731 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -8.987 -0.325 12.542 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -9.654 -2.157 8.841 1.00 0.00 H new ATOM 1124 N LEU A 74 -4.316 3.077 10.376 1.00 0.00 N ATOM 1125 CA LEU A 74 -3.380 4.047 10.924 1.00 0.00 C ATOM 1126 C LEU A 74 -3.884 5.459 10.691 1.00 0.00 C ATOM 1127 O LEU A 74 -4.671 5.704 9.772 1.00 0.00 O ATOM 1128 CB LEU A 74 -1.993 3.889 10.291 1.00 0.00 C ATOM 1129 CG LEU A 74 -1.228 2.634 10.702 1.00 0.00 C ATOM 1130 CD1 LEU A 74 0.112 2.580 9.996 1.00 0.00 C ATOM 1131 CD2 LEU A 74 -1.041 2.596 12.211 1.00 0.00 C ATOM 0 H LEU A 74 -4.075 2.740 9.444 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.300 3.864 11.996 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.105 3.888 9.207 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.393 4.761 10.549 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.809 1.760 10.407 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.647 1.680 10.299 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.045 2.563 8.918 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.700 3.458 10.263 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.494 1.695 12.487 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.479 3.474 12.530 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.016 2.592 12.698 1.00 0.00 H new ATOM 1143 N SER A 75 -3.436 6.380 11.526 1.00 0.00 N ATOM 1144 CA SER A 75 -3.764 7.783 11.365 1.00 0.00 C ATOM 1145 C SER A 75 -2.955 8.350 10.202 1.00 0.00 C ATOM 1146 O SER A 75 -1.926 7.774 9.831 1.00 0.00 O ATOM 1147 CB SER A 75 -3.459 8.537 12.661 1.00 0.00 C ATOM 1148 OG SER A 75 -4.059 9.818 12.665 1.00 0.00 O ATOM 0 H SER A 75 -2.839 6.178 12.328 1.00 0.00 H new ATOM 0 HA SER A 75 -4.826 7.898 11.147 1.00 0.00 H new ATOM 0 HB2 SER A 75 -3.821 7.961 13.513 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.380 8.638 12.780 1.00 0.00 H new ATOM 0 HG SER A 75 -3.848 10.275 13.506 1.00 0.00 H new ATOM 1154 N ARG A 76 -3.405 9.465 9.625 1.00 0.00 N ATOM 1155 CA ARG A 76 -2.718 10.037 8.471 1.00 0.00 C ATOM 1156 C ARG A 76 -1.254 10.301 8.789 1.00 0.00 C ATOM 1157 O ARG A 76 -0.388 10.121 7.937 1.00 0.00 O ATOM 1158 CB ARG A 76 -3.359 11.349 8.003 1.00 0.00 C ATOM 1159 CG ARG A 76 -2.607 11.955 6.826 1.00 0.00 C ATOM 1160 CD ARG A 76 -2.847 13.446 6.675 1.00 0.00 C ATOM 1161 NE ARG A 76 -1.799 14.061 5.857 1.00 0.00 N ATOM 1162 CZ ARG A 76 -1.966 15.128 5.077 1.00 0.00 C ATOM 1163 NH1 ARG A 76 -3.141 15.745 5.011 1.00 0.00 N ATOM 1164 NH2 ARG A 76 -0.941 15.576 4.363 1.00 0.00 N ATOM 0 H ARG A 76 -4.229 9.982 9.933 1.00 0.00 H new ATOM 0 HA ARG A 76 -2.803 9.302 7.670 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.395 11.166 7.718 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -3.376 12.060 8.829 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -1.539 11.775 6.952 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.909 11.449 5.909 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.821 13.618 6.216 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.871 13.917 7.658 1.00 0.00 H new ATOM 0 HE ARG A 76 -0.870 13.640 5.887 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.928 15.403 5.562 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -3.255 16.561 4.410 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.038 15.104 4.415 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -1.056 16.392 3.762 1.00 0.00 H new ATOM 1178 N ARG A 77 -0.982 10.715 10.022 1.00 0.00 N ATOM 1179 CA ARG A 77 0.367 11.096 10.411 1.00 0.00 C ATOM 1180 C ARG A 77 1.321 9.916 10.285 1.00 0.00 C ATOM 1181 O ARG A 77 2.444 10.074 9.823 1.00 0.00 O ATOM 1182 CB ARG A 77 0.405 11.635 11.838 1.00 0.00 C ATOM 1183 CG ARG A 77 1.597 12.546 12.087 1.00 0.00 C ATOM 1184 CD ARG A 77 1.789 12.847 13.563 1.00 0.00 C ATOM 1185 NE ARG A 77 2.327 11.697 14.285 1.00 0.00 N ATOM 1186 CZ ARG A 77 3.458 11.723 14.986 1.00 0.00 C ATOM 1187 NH1 ARG A 77 4.169 12.842 15.067 1.00 0.00 N ATOM 1188 NH2 ARG A 77 3.879 10.625 15.602 1.00 0.00 N ATOM 0 H ARG A 77 -1.676 10.794 10.765 1.00 0.00 H new ATOM 0 HA ARG A 77 0.686 11.888 9.733 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -0.515 12.183 12.040 1.00 0.00 H new ATOM 0 HB3 ARG A 77 0.438 10.800 12.537 1.00 0.00 H new ATOM 0 HG2 ARG A 77 2.499 12.078 11.693 1.00 0.00 H new ATOM 0 HG3 ARG A 77 1.459 13.480 11.542 1.00 0.00 H new ATOM 0 HD2 ARG A 77 2.464 13.696 13.676 1.00 0.00 H new ATOM 0 HD3 ARG A 77 0.835 13.138 14.002 1.00 0.00 H new ATOM 0 HE ARG A 77 1.805 10.822 14.250 1.00 0.00 H new ATOM 0 HH11 ARG A 77 3.849 13.685 14.591 1.00 0.00 H new ATOM 0 HH12 ARG A 77 5.035 12.858 15.605 1.00 0.00 H new ATOM 0 HH21 ARG A 77 3.336 9.764 15.537 1.00 0.00 H new ATOM 0 HH22 ARG A 77 4.745 10.642 16.140 1.00 0.00 H new ATOM 1202 N LYS A 78 0.864 8.730 10.678 1.00 0.00 N ATOM 1203 CA LYS A 78 1.713 7.551 10.618 1.00 0.00 C ATOM 1204 C LYS A 78 1.704 6.952 9.218 1.00 0.00 C ATOM 1205 O LYS A 78 2.683 6.347 8.786 1.00 0.00 O ATOM 1206 CB LYS A 78 1.291 6.510 11.655 1.00 0.00 C ATOM 1207 CG LYS A 78 2.273 5.361 11.768 1.00 0.00 C ATOM 1208 CD LYS A 78 2.047 4.541 13.022 1.00 0.00 C ATOM 1209 CE LYS A 78 3.100 3.458 13.164 1.00 0.00 C ATOM 1210 NZ LYS A 78 4.469 4.025 13.308 1.00 0.00 N ATOM 0 H LYS A 78 -0.076 8.564 11.036 1.00 0.00 H new ATOM 0 HA LYS A 78 2.731 7.861 10.853 1.00 0.00 H new ATOM 0 HB2 LYS A 78 1.190 6.993 12.627 1.00 0.00 H new ATOM 0 HB3 LYS A 78 0.309 6.118 11.390 1.00 0.00 H new ATOM 0 HG2 LYS A 78 2.180 4.718 10.893 1.00 0.00 H new ATOM 0 HG3 LYS A 78 3.290 5.753 11.770 1.00 0.00 H new ATOM 0 HD2 LYS A 78 2.071 5.193 13.895 1.00 0.00 H new ATOM 0 HD3 LYS A 78 1.056 4.087 12.990 1.00 0.00 H new ATOM 0 HE2 LYS A 78 2.870 2.841 14.033 1.00 0.00 H new ATOM 0 HE3 LYS A 78 3.068 2.805 12.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 5.161 3.251 13.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 4.687 4.621 12.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 4.517 4.600 14.173 1.00 0.00 H new ATOM 1224 N LYS A 79 0.599 7.129 8.503 1.00 0.00 N ATOM 1225 CA LYS A 79 0.527 6.718 7.108 1.00 0.00 C ATOM 1226 C LYS A 79 1.511 7.543 6.280 1.00 0.00 C ATOM 1227 O LYS A 79 2.258 7.012 5.458 1.00 0.00 O ATOM 1228 CB LYS A 79 -0.895 6.896 6.568 1.00 0.00 C ATOM 1229 CG LYS A 79 -1.078 6.405 5.140 1.00 0.00 C ATOM 1230 CD LYS A 79 -2.473 6.716 4.623 1.00 0.00 C ATOM 1231 CE LYS A 79 -2.679 6.188 3.212 1.00 0.00 C ATOM 1232 NZ LYS A 79 -3.993 6.605 2.652 1.00 0.00 N ATOM 0 H LYS A 79 -0.255 7.553 8.865 1.00 0.00 H new ATOM 0 HA LYS A 79 0.791 5.663 7.037 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -1.589 6.362 7.217 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -1.162 7.952 6.616 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -0.336 6.874 4.494 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -0.904 5.330 5.098 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -3.215 6.275 5.289 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -2.634 7.794 4.636 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -1.878 6.550 2.568 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -2.615 5.100 3.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -3.892 6.794 1.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -4.689 5.846 2.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -4.318 7.468 3.134 1.00 0.00 H new ATOM 1246 N GLU A 80 1.508 8.847 6.526 1.00 0.00 N ATOM 1247 CA GLU A 80 2.429 9.762 5.867 1.00 0.00 C ATOM 1248 C GLU A 80 3.853 9.485 6.334 1.00 0.00 C ATOM 1249 O GLU A 80 4.792 9.507 5.538 1.00 0.00 O ATOM 1250 CB GLU A 80 2.018 11.206 6.177 1.00 0.00 C ATOM 1251 CG GLU A 80 2.772 12.259 5.381 1.00 0.00 C ATOM 1252 CD GLU A 80 2.189 13.646 5.568 1.00 0.00 C ATOM 1253 OE1 GLU A 80 1.276 14.019 4.802 1.00 0.00 O ATOM 1254 OE2 GLU A 80 2.634 14.369 6.488 1.00 0.00 O ATOM 0 H GLU A 80 0.871 9.297 7.184 1.00 0.00 H new ATOM 0 HA GLU A 80 2.391 9.614 4.788 1.00 0.00 H new ATOM 0 HB2 GLU A 80 0.951 11.317 5.983 1.00 0.00 H new ATOM 0 HB3 GLU A 80 2.170 11.394 7.240 1.00 0.00 H new ATOM 0 HG2 GLU A 80 3.818 12.263 5.687 1.00 0.00 H new ATOM 0 HG3 GLU A 80 2.750 11.997 4.323 1.00 0.00 H new ATOM 1261 N GLN A 81 3.989 9.207 7.630 1.00 0.00 N ATOM 1262 CA GLN A 81 5.261 8.802 8.229 1.00 0.00 C ATOM 1263 C GLN A 81 5.857 7.626 7.471 1.00 0.00 C ATOM 1264 O GLN A 81 7.029 7.640 7.101 1.00 0.00 O ATOM 1265 CB GLN A 81 5.035 8.398 9.690 1.00 0.00 C ATOM 1266 CG GLN A 81 6.269 7.859 10.393 1.00 0.00 C ATOM 1267 CD GLN A 81 5.953 7.322 11.775 1.00 0.00 C ATOM 1268 OE1 GLN A 81 5.628 6.143 11.943 1.00 0.00 O ATOM 1269 NE2 GLN A 81 6.042 8.182 12.775 1.00 0.00 N ATOM 0 H GLN A 81 3.218 9.256 8.296 1.00 0.00 H new ATOM 0 HA GLN A 81 5.952 9.643 8.179 1.00 0.00 H new ATOM 0 HB2 GLN A 81 4.668 9.264 10.241 1.00 0.00 H new ATOM 0 HB3 GLN A 81 4.251 7.641 9.727 1.00 0.00 H new ATOM 0 HG2 GLN A 81 6.711 7.066 9.790 1.00 0.00 H new ATOM 0 HG3 GLN A 81 7.014 8.651 10.474 1.00 0.00 H new ATOM 0 HE21 GLN A 81 6.314 9.148 12.594 1.00 0.00 H new ATOM 0 HE22 GLN A 81 5.839 7.879 13.728 1.00 0.00 H new ATOM 1278 N LEU A 82 5.028 6.620 7.240 1.00 0.00 N ATOM 1279 CA LEU A 82 5.446 5.392 6.583 1.00 0.00 C ATOM 1280 C LEU A 82 6.011 5.688 5.192 1.00 0.00 C ATOM 1281 O LEU A 82 6.960 5.042 4.744 1.00 0.00 O ATOM 1282 CB LEU A 82 4.249 4.435 6.509 1.00 0.00 C ATOM 1283 CG LEU A 82 4.574 2.963 6.247 1.00 0.00 C ATOM 1284 CD1 LEU A 82 3.480 2.081 6.831 1.00 0.00 C ATOM 1285 CD2 LEU A 82 4.715 2.694 4.754 1.00 0.00 C ATOM 0 H LEU A 82 4.043 6.633 7.504 1.00 0.00 H new ATOM 0 HA LEU A 82 6.242 4.920 7.159 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.699 4.502 7.447 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.580 4.783 5.722 1.00 0.00 H new ATOM 0 HG LEU A 82 5.524 2.730 6.728 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.717 1.034 6.641 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.412 2.249 7.906 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.526 2.327 6.365 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.946 1.641 4.594 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.781 2.941 4.250 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.519 3.307 4.348 1.00 0.00 H new ATOM 1297 N VAL A 83 5.442 6.689 4.532 1.00 0.00 N ATOM 1298 CA VAL A 83 5.890 7.084 3.203 1.00 0.00 C ATOM 1299 C VAL A 83 7.157 7.937 3.281 1.00 0.00 C ATOM 1300 O VAL A 83 8.049 7.811 2.440 1.00 0.00 O ATOM 1301 CB VAL A 83 4.787 7.856 2.452 1.00 0.00 C ATOM 1302 CG1 VAL A 83 5.278 8.336 1.099 1.00 0.00 C ATOM 1303 CG2 VAL A 83 3.559 6.978 2.290 1.00 0.00 C ATOM 0 H VAL A 83 4.667 7.243 4.897 1.00 0.00 H new ATOM 0 HA VAL A 83 6.115 6.171 2.651 1.00 0.00 H new ATOM 0 HB VAL A 83 4.522 8.734 3.041 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.479 8.877 0.593 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.133 8.997 1.236 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.575 7.479 0.495 1.00 0.00 H new ATOM 0 HG21 VAL A 83 2.784 7.531 1.759 1.00 0.00 H new ATOM 0 HG22 VAL A 83 3.822 6.085 1.723 1.00 0.00 H new ATOM 0 HG23 VAL A 83 3.188 6.687 3.273 1.00 0.00 H new ATOM 1313 N SER A 84 7.241 8.784 4.299 1.00 0.00 N ATOM 1314 CA SER A 84 8.432 9.599 4.519 1.00 0.00 C ATOM 1315 C SER A 84 9.632 8.709 4.827 1.00 0.00 C ATOM 1316 O SER A 84 10.779 9.082 4.577 1.00 0.00 O ATOM 1317 CB SER A 84 8.192 10.584 5.666 1.00 0.00 C ATOM 1318 OG SER A 84 7.059 11.399 5.407 1.00 0.00 O ATOM 0 H SER A 84 6.500 8.925 4.986 1.00 0.00 H new ATOM 0 HA SER A 84 8.643 10.164 3.611 1.00 0.00 H new ATOM 0 HB2 SER A 84 8.045 10.036 6.596 1.00 0.00 H new ATOM 0 HB3 SER A 84 9.073 11.212 5.802 1.00 0.00 H new ATOM 0 HG SER A 84 6.247 10.852 5.445 1.00 0.00 H new ATOM 1324 N LEU A 85 9.350 7.521 5.362 1.00 0.00 N ATOM 1325 CA LEU A 85 10.387 6.542 5.653 1.00 0.00 C ATOM 1326 C LEU A 85 11.000 5.997 4.368 1.00 0.00 C ATOM 1327 O LEU A 85 12.118 5.477 4.376 1.00 0.00 O ATOM 1328 CB LEU A 85 9.821 5.391 6.489 1.00 0.00 C ATOM 1329 CG LEU A 85 9.261 5.794 7.851 1.00 0.00 C ATOM 1330 CD1 LEU A 85 8.674 4.589 8.566 1.00 0.00 C ATOM 1331 CD2 LEU A 85 10.342 6.443 8.700 1.00 0.00 C ATOM 0 H LEU A 85 8.407 7.216 5.602 1.00 0.00 H new ATOM 0 HA LEU A 85 11.168 7.044 6.224 1.00 0.00 H new ATOM 0 HB2 LEU A 85 9.031 4.903 5.919 1.00 0.00 H new ATOM 0 HB3 LEU A 85 10.608 4.652 6.641 1.00 0.00 H new ATOM 0 HG LEU A 85 8.464 6.520 7.693 1.00 0.00 H new ATOM 0 HD11 LEU A 85 8.280 4.897 9.535 1.00 0.00 H new ATOM 0 HD12 LEU A 85 7.869 4.166 7.965 1.00 0.00 H new ATOM 0 HD13 LEU A 85 9.451 3.839 8.712 1.00 0.00 H new ATOM 0 HD21 LEU A 85 9.925 6.724 9.667 1.00 0.00 H new ATOM 0 HD22 LEU A 85 11.160 5.738 8.848 1.00 0.00 H new ATOM 0 HD23 LEU A 85 10.717 7.333 8.194 1.00 0.00 H new ATOM 1343 N LYS A 86 10.265 6.104 3.262 1.00 0.00 N ATOM 1344 CA LYS A 86 10.793 5.710 1.967 1.00 0.00 C ATOM 1345 C LYS A 86 11.753 6.776 1.444 1.00 0.00 C ATOM 1346 O LYS A 86 11.456 7.480 0.481 1.00 0.00 O ATOM 1347 CB LYS A 86 9.680 5.471 0.941 1.00 0.00 C ATOM 1348 CG LYS A 86 10.188 4.839 -0.353 1.00 0.00 C ATOM 1349 CD LYS A 86 9.319 5.197 -1.550 1.00 0.00 C ATOM 1350 CE LYS A 86 9.310 6.699 -1.806 1.00 0.00 C ATOM 1351 NZ LYS A 86 8.713 7.044 -3.122 1.00 0.00 N ATOM 0 H LYS A 86 9.309 6.458 3.241 1.00 0.00 H new ATOM 0 HA LYS A 86 11.326 4.770 2.107 1.00 0.00 H new ATOM 0 HB2 LYS A 86 8.920 4.825 1.381 1.00 0.00 H new ATOM 0 HB3 LYS A 86 9.196 6.420 0.710 1.00 0.00 H new ATOM 0 HG2 LYS A 86 11.211 5.167 -0.538 1.00 0.00 H new ATOM 0 HG3 LYS A 86 10.217 3.755 -0.239 1.00 0.00 H new ATOM 0 HD2 LYS A 86 9.687 4.678 -2.435 1.00 0.00 H new ATOM 0 HD3 LYS A 86 8.300 4.850 -1.378 1.00 0.00 H new ATOM 0 HE2 LYS A 86 8.750 7.197 -1.014 1.00 0.00 H new ATOM 0 HE3 LYS A 86 10.331 7.079 -1.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 8.208 7.950 -3.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 9.466 7.125 -3.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 8.046 6.299 -3.407 1.00 0.00 H new ATOM 1365 N GLY A 87 12.880 6.922 2.114 1.00 0.00 N ATOM 1366 CA GLY A 87 13.922 7.791 1.616 1.00 0.00 C ATOM 1367 C GLY A 87 14.897 7.009 0.773 1.00 0.00 C ATOM 1368 O GLY A 87 15.861 7.557 0.238 1.00 0.00 O ATOM 0 H GLY A 87 13.094 6.455 2.995 1.00 0.00 H new ATOM 0 HA2 GLY A 87 13.483 8.595 1.025 1.00 0.00 H new ATOM 0 HA3 GLY A 87 14.445 8.258 2.450 1.00 0.00 H new ATOM 1372 N GLY A 88 14.609 5.715 0.640 1.00 0.00 N ATOM 1373 CA GLY A 88 15.481 4.808 -0.077 1.00 0.00 C ATOM 1374 C GLY A 88 16.860 4.699 0.551 1.00 0.00 C ATOM 1375 O GLY A 88 17.182 5.428 1.489 1.00 0.00 O ATOM 0 H GLY A 88 13.772 5.277 1.025 1.00 0.00 H new ATOM 0 HA2 GLY A 88 15.022 3.820 -0.110 1.00 0.00 H new ATOM 0 HA3 GLY A 88 15.582 5.147 -1.108 1.00 0.00 H new ATOM 1379 N PRO A 89 17.693 3.767 0.073 1.00 0.00 N ATOM 1380 CA PRO A 89 19.062 3.624 0.564 1.00 0.00 C ATOM 1381 C PRO A 89 19.968 4.745 0.052 1.00 0.00 C ATOM 1382 O PRO A 89 20.924 5.142 0.719 1.00 0.00 O ATOM 1383 CB PRO A 89 19.502 2.267 0.011 1.00 0.00 C ATOM 1384 CG PRO A 89 18.647 2.038 -1.192 1.00 0.00 C ATOM 1385 CD PRO A 89 17.349 2.763 -0.950 1.00 0.00 C ATOM 0 HA PRO A 89 19.122 3.683 1.651 1.00 0.00 H new ATOM 0 HB2 PRO A 89 20.560 2.274 -0.253 1.00 0.00 H new ATOM 0 HB3 PRO A 89 19.363 1.477 0.749 1.00 0.00 H new ATOM 0 HG2 PRO A 89 19.137 2.412 -2.091 1.00 0.00 H new ATOM 0 HG3 PRO A 89 18.472 0.973 -1.344 1.00 0.00 H new ATOM 0 HD2 PRO A 89 16.976 3.231 -1.861 1.00 0.00 H new ATOM 0 HD3 PRO A 89 16.571 2.085 -0.599 1.00 0.00 H new ATOM 1393 N TYR A 90 19.640 5.254 -1.131 1.00 0.00 N ATOM 1394 CA TYR A 90 20.400 6.332 -1.756 1.00 0.00 C ATOM 1395 C TYR A 90 19.543 7.014 -2.823 1.00 0.00 C ATOM 1396 O TYR A 90 20.063 7.694 -3.709 1.00 0.00 O ATOM 1397 CB TYR A 90 21.695 5.783 -2.380 1.00 0.00 C ATOM 1398 CG TYR A 90 21.477 4.711 -3.431 1.00 0.00 C ATOM 1399 CD1 TYR A 90 21.179 3.402 -3.069 1.00 0.00 C ATOM 1400 CD2 TYR A 90 21.578 5.005 -4.785 1.00 0.00 C ATOM 1401 CE1 TYR A 90 20.980 2.423 -4.022 1.00 0.00 C ATOM 1402 CE2 TYR A 90 21.379 4.030 -5.744 1.00 0.00 C ATOM 1403 CZ TYR A 90 21.083 2.743 -5.357 1.00 0.00 C ATOM 1404 OH TYR A 90 20.882 1.767 -6.308 1.00 0.00 O ATOM 0 H TYR A 90 18.844 4.933 -1.682 1.00 0.00 H new ATOM 0 HA TYR A 90 20.670 7.064 -0.995 1.00 0.00 H new ATOM 0 HB2 TYR A 90 22.246 6.609 -2.829 1.00 0.00 H new ATOM 0 HB3 TYR A 90 22.322 5.375 -1.587 1.00 0.00 H new ATOM 0 HD1 TYR A 90 21.102 3.146 -2.023 1.00 0.00 H new ATOM 0 HD2 TYR A 90 21.816 6.012 -5.093 1.00 0.00 H new ATOM 0 HE1 TYR A 90 20.745 1.412 -3.722 1.00 0.00 H new ATOM 0 HE2 TYR A 90 21.455 4.277 -6.793 1.00 0.00 H new ATOM 0 HH TYR A 90 20.989 2.154 -7.202 1.00 0.00 H new ATOM 1414 N GLU A 91 18.223 6.852 -2.691 1.00 0.00 N ATOM 1415 CA GLU A 91 17.251 7.292 -3.697 1.00 0.00 C ATOM 1416 C GLU A 91 17.472 6.556 -5.016 1.00 0.00 C ATOM 1417 O GLU A 91 16.776 5.585 -5.316 1.00 0.00 O ATOM 1418 CB GLU A 91 17.289 8.813 -3.921 1.00 0.00 C ATOM 1419 CG GLU A 91 16.949 9.639 -2.685 1.00 0.00 C ATOM 1420 CD GLU A 91 18.157 9.937 -1.823 1.00 0.00 C ATOM 1421 OE1 GLU A 91 18.909 10.877 -2.163 1.00 0.00 O ATOM 1422 OE2 GLU A 91 18.362 9.245 -0.806 1.00 0.00 O ATOM 0 H GLU A 91 17.796 6.409 -1.878 1.00 0.00 H new ATOM 0 HA GLU A 91 16.261 7.046 -3.312 1.00 0.00 H new ATOM 0 HB2 GLU A 91 18.284 9.092 -4.268 1.00 0.00 H new ATOM 0 HB3 GLU A 91 16.590 9.069 -4.718 1.00 0.00 H new ATOM 0 HG2 GLU A 91 16.491 10.578 -2.997 1.00 0.00 H new ATOM 0 HG3 GLU A 91 16.208 9.105 -2.090 1.00 0.00 H new ATOM 1429 N ASN A 92 18.450 7.015 -5.784 1.00 0.00 N ATOM 1430 CA ASN A 92 18.805 6.393 -7.057 1.00 0.00 C ATOM 1431 C ASN A 92 20.110 6.973 -7.590 1.00 0.00 C ATOM 1432 O ASN A 92 20.979 6.236 -8.053 1.00 0.00 O ATOM 1433 CB ASN A 92 17.671 6.523 -8.096 1.00 0.00 C ATOM 1434 CG ASN A 92 17.092 7.926 -8.237 1.00 0.00 C ATOM 1435 OD1 ASN A 92 17.779 8.930 -8.063 1.00 0.00 O ATOM 1436 ND2 ASN A 92 15.806 7.996 -8.548 1.00 0.00 N ATOM 0 H ASN A 92 19.020 7.827 -5.545 1.00 0.00 H new ATOM 0 HA ASN A 92 18.950 5.328 -6.876 1.00 0.00 H new ATOM 0 HB2 ASN A 92 18.048 6.201 -9.067 1.00 0.00 H new ATOM 0 HB3 ASN A 92 16.867 5.839 -7.824 1.00 0.00 H new ATOM 0 HD21 ASN A 92 15.355 8.905 -8.650 1.00 0.00 H new ATOM 0 HD22 ASN A 92 15.267 7.141 -8.685 1.00 0.00 H new ATOM 1443 N THR A 93 20.235 8.298 -7.517 1.00 0.00 N ATOM 1444 CA THR A 93 21.460 9.026 -7.879 1.00 0.00 C ATOM 1445 C THR A 93 21.992 8.658 -9.267 1.00 0.00 C ATOM 1446 O THR A 93 23.170 8.855 -9.558 1.00 0.00 O ATOM 1447 CB THR A 93 22.584 8.828 -6.833 1.00 0.00 C ATOM 1448 OG1 THR A 93 22.866 7.435 -6.636 1.00 0.00 O ATOM 1449 CG2 THR A 93 22.199 9.466 -5.506 1.00 0.00 C ATOM 0 H THR A 93 19.481 8.908 -7.201 1.00 0.00 H new ATOM 0 HA THR A 93 21.168 10.076 -7.898 1.00 0.00 H new ATOM 0 HB THR A 93 23.481 9.314 -7.216 1.00 0.00 H new ATOM 0 HG1 THR A 93 22.484 6.916 -7.374 1.00 0.00 H new ATOM 0 HG21 THR A 93 23.002 9.316 -4.784 1.00 0.00 H new ATOM 0 HG22 THR A 93 22.035 10.534 -5.650 1.00 0.00 H new ATOM 0 HG23 THR A 93 21.284 9.005 -5.133 1.00 0.00 H new ATOM 1457 N THR A 94 21.128 8.143 -10.130 1.00 0.00 N ATOM 1458 CA THR A 94 21.538 7.782 -11.478 1.00 0.00 C ATOM 1459 C THR A 94 20.965 8.780 -12.487 1.00 0.00 C ATOM 1460 O THR A 94 21.234 8.702 -13.688 1.00 0.00 O ATOM 1461 CB THR A 94 21.090 6.344 -11.824 1.00 0.00 C ATOM 1462 OG1 THR A 94 21.365 5.476 -10.714 1.00 0.00 O ATOM 1463 CG2 THR A 94 21.816 5.820 -13.059 1.00 0.00 C ATOM 0 H THR A 94 20.145 7.967 -9.922 1.00 0.00 H new ATOM 0 HA THR A 94 22.626 7.817 -11.528 1.00 0.00 H new ATOM 0 HB THR A 94 20.020 6.364 -12.033 1.00 0.00 H new ATOM 0 HG1 THR A 94 21.015 5.877 -9.891 1.00 0.00 H new ATOM 0 HG21 THR A 94 21.479 4.806 -13.276 1.00 0.00 H new ATOM 0 HG22 THR A 94 21.598 6.465 -13.910 1.00 0.00 H new ATOM 0 HG23 THR A 94 22.890 5.813 -12.874 1.00 0.00 H new ATOM 1471 N LYS A 95 20.169 9.726 -11.969 1.00 0.00 N ATOM 1472 CA LYS A 95 19.609 10.819 -12.766 1.00 0.00 C ATOM 1473 C LYS A 95 18.565 10.305 -13.770 1.00 0.00 C ATOM 1474 O LYS A 95 18.016 11.073 -14.564 1.00 0.00 O ATOM 1475 CB LYS A 95 20.747 11.577 -13.463 1.00 0.00 C ATOM 1476 CG LYS A 95 20.304 12.736 -14.336 1.00 0.00 C ATOM 1477 CD LYS A 95 21.492 13.575 -14.782 1.00 0.00 C ATOM 1478 CE LYS A 95 22.582 12.724 -15.420 1.00 0.00 C ATOM 1479 NZ LYS A 95 23.864 13.468 -15.546 1.00 0.00 N ATOM 0 H LYS A 95 19.897 9.752 -10.986 1.00 0.00 H new ATOM 0 HA LYS A 95 19.086 11.509 -12.104 1.00 0.00 H new ATOM 0 HB2 LYS A 95 21.431 11.955 -12.703 1.00 0.00 H new ATOM 0 HB3 LYS A 95 21.310 10.874 -14.077 1.00 0.00 H new ATOM 0 HG2 LYS A 95 19.776 12.355 -15.210 1.00 0.00 H new ATOM 0 HG3 LYS A 95 19.600 13.361 -13.786 1.00 0.00 H new ATOM 0 HD2 LYS A 95 21.157 14.329 -15.494 1.00 0.00 H new ATOM 0 HD3 LYS A 95 21.903 14.107 -13.924 1.00 0.00 H new ATOM 0 HE2 LYS A 95 22.740 11.827 -14.821 1.00 0.00 H new ATOM 0 HE3 LYS A 95 22.255 12.395 -16.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 24.580 12.854 -15.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 23.720 14.310 -16.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 24.190 13.760 -14.603 1.00 0.00 H new ATOM 1493 N LEU A 96 18.271 9.006 -13.689 1.00 0.00 N ATOM 1494 CA LEU A 96 17.316 8.333 -14.577 1.00 0.00 C ATOM 1495 C LEU A 96 17.867 8.229 -15.997 1.00 0.00 C ATOM 1496 O LEU A 96 18.098 7.126 -16.499 1.00 0.00 O ATOM 1497 CB LEU A 96 15.957 9.051 -14.593 1.00 0.00 C ATOM 1498 CG LEU A 96 15.375 9.397 -13.220 1.00 0.00 C ATOM 1499 CD1 LEU A 96 13.958 9.926 -13.351 1.00 0.00 C ATOM 1500 CD2 LEU A 96 15.411 8.189 -12.302 1.00 0.00 C ATOM 0 H LEU A 96 18.692 8.384 -12.999 1.00 0.00 H new ATOM 0 HA LEU A 96 17.166 7.327 -14.184 1.00 0.00 H new ATOM 0 HB2 LEU A 96 16.060 9.972 -15.167 1.00 0.00 H new ATOM 0 HB3 LEU A 96 15.241 8.423 -15.123 1.00 0.00 H new ATOM 0 HG LEU A 96 15.991 10.181 -12.780 1.00 0.00 H new ATOM 0 HD11 LEU A 96 13.566 10.165 -12.362 1.00 0.00 H new ATOM 0 HD12 LEU A 96 13.961 10.825 -13.967 1.00 0.00 H new ATOM 0 HD13 LEU A 96 13.328 9.168 -13.818 1.00 0.00 H new ATOM 0 HD21 LEU A 96 14.993 8.457 -11.332 1.00 0.00 H new ATOM 0 HD22 LEU A 96 14.824 7.382 -12.740 1.00 0.00 H new ATOM 0 HD23 LEU A 96 16.442 7.860 -12.174 1.00 0.00 H new ATOM 1512 N SER A 97 18.063 9.384 -16.632 1.00 0.00 N ATOM 1513 CA SER A 97 18.570 9.471 -18.000 1.00 0.00 C ATOM 1514 C SER A 97 17.592 8.844 -18.996 1.00 0.00 C ATOM 1515 O SER A 97 17.944 8.546 -20.137 1.00 0.00 O ATOM 1516 CB SER A 97 19.956 8.822 -18.098 1.00 0.00 C ATOM 1517 OG SER A 97 20.880 9.484 -17.246 1.00 0.00 O ATOM 0 H SER A 97 17.873 10.292 -16.208 1.00 0.00 H new ATOM 0 HA SER A 97 18.667 10.525 -18.261 1.00 0.00 H new ATOM 0 HB2 SER A 97 19.891 7.769 -17.824 1.00 0.00 H new ATOM 0 HB3 SER A 97 20.310 8.862 -19.128 1.00 0.00 H new ATOM 0 HG SER A 97 21.758 9.056 -17.320 1.00 0.00 H new ATOM 1523 N THR A 98 16.352 8.669 -18.556 1.00 0.00 N ATOM 1524 CA THR A 98 15.307 8.121 -19.398 1.00 0.00 C ATOM 1525 C THR A 98 14.216 9.162 -19.626 1.00 0.00 C ATOM 1526 O THR A 98 13.736 9.793 -18.683 1.00 0.00 O ATOM 1527 CB THR A 98 14.700 6.831 -18.782 1.00 0.00 C ATOM 1528 OG1 THR A 98 13.565 6.388 -19.542 1.00 0.00 O ATOM 1529 CG2 THR A 98 14.287 7.048 -17.332 1.00 0.00 C ATOM 0 H THR A 98 16.048 8.903 -17.611 1.00 0.00 H new ATOM 0 HA THR A 98 15.753 7.855 -20.356 1.00 0.00 H new ATOM 0 HB THR A 98 15.474 6.064 -18.812 1.00 0.00 H new ATOM 0 HG1 THR A 98 13.199 5.574 -19.138 1.00 0.00 H new ATOM 0 HG21 THR A 98 13.866 6.126 -16.932 1.00 0.00 H new ATOM 0 HG22 THR A 98 15.159 7.334 -16.744 1.00 0.00 H new ATOM 0 HG23 THR A 98 13.540 7.840 -17.281 1.00 0.00 H new ATOM 1537 N THR A 99 13.858 9.366 -20.883 1.00 0.00 N ATOM 1538 CA THR A 99 12.817 10.311 -21.234 1.00 0.00 C ATOM 1539 C THR A 99 12.321 10.058 -22.653 1.00 0.00 C ATOM 1540 O THR A 99 13.112 9.798 -23.563 1.00 0.00 O ATOM 1541 CB THR A 99 13.300 11.778 -21.102 1.00 0.00 C ATOM 1542 OG1 THR A 99 12.274 12.681 -21.535 1.00 0.00 O ATOM 1543 CG2 THR A 99 14.570 12.022 -21.906 1.00 0.00 C ATOM 0 H THR A 99 14.277 8.886 -21.679 1.00 0.00 H new ATOM 0 HA THR A 99 11.997 10.162 -20.532 1.00 0.00 H new ATOM 0 HB THR A 99 13.522 11.958 -20.050 1.00 0.00 H new ATOM 0 HG1 THR A 99 12.591 13.604 -21.445 1.00 0.00 H new ATOM 0 HG21 THR A 99 14.880 13.061 -21.790 1.00 0.00 H new ATOM 0 HG22 THR A 99 15.361 11.365 -21.545 1.00 0.00 H new ATOM 0 HG23 THR A 99 14.379 11.815 -22.959 1.00 0.00 H new TER 1551 THR A 99