USER MOD reduce.3.24.130724 H: found=0, std=0, add=896, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 897 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 99 ASN : amide:sc= -0.836 K(o=-2.6,f=-7.2!) USER MOD Set 1.2: A 102 MET CE :methyl 159:sc= -1.78 (180deg=-3.16!) USER MOD Set 2.1: A 59 MET CE :methyl 152:sc= -0.499 (180deg=-2.1!) USER MOD Set 2.2: A 88 MET CE :methyl -158:sc= -0.0403 (180deg=-0.582) USER MOD Set 3.1: A 51 THR OG1 : rot 90:sc= 0.376 USER MOD Set 3.2: A 97 MET CE :methyl -158:sc= -2.05 (180deg=-4.62!) USER MOD Set 4.1: A 28 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 39 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 13 SER OG : rot 49:sc= 1.05 USER MOD Set 5.2: A 32 THR OG1 : rot -157:sc= 1.51 USER MOD Set 6.1: A 2 SER OG : rot 88:sc= 1.3 USER MOD Set 6.2: A 3 HIS : no HD1:sc= -2.59! C(o=-1.3!,f=-13!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= 0.469 K(o=0.47,f=-6.3!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 47:sc= -0.145 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -5.77! C(o=-5.8!,f=-6.3!) USER MOD Single : A 43 SER OG : rot 92:sc= 1.61 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl -161:sc= -5.91! (180deg=-7.51!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 168:sc= -0.303 (180deg=-0.41) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -127:sc= -0.0608 (180deg=-0.716) USER MOD Single : A 75 ASN : amide:sc= -0.433 K(o=-0.43,f=-1.2) USER MOD Single : A 78 ASN : amide:sc= -0.105 X(o=-0.1,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 140:sc= -0.0606 (180deg=-2.65!) USER MOD Single : A 85 GLN : amide:sc= -0.47 X(o=-0.47,f=-0.47) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=-0.083) USER MOD Single : A 90 SER OG : rot 180:sc= -1.03 USER MOD Single : A 92 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 93 ASN :FLIP amide:sc= -1.1 F(o=-1.7!,f=-1.1) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.096 USER MOD Single : A 101 LYS NZ :NH3+ -115:sc= -0.276 (180deg=-2.04!) USER MOD Single : A 103 THR OG1 : rot 152:sc= 1.05 USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=-0.076) USER MOD Single : A 106 GLN : amide:sc= -0.0123 K(o=-0.012,f=-1.2!) USER MOD Single : A 109 SER OG : rot 87:sc= 1.09 USER MOD Single : A 111 TYR OH : rot 120:sc= -0.283 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 17 N SER A 2 -10.946 -4.674 12.126 1.00 0.00 N ATOM 18 CA SER A 2 -9.813 -3.929 12.663 1.00 0.00 C ATOM 19 C SER A 2 -8.493 -4.435 12.090 1.00 0.00 C ATOM 20 O SER A 2 -7.452 -3.799 12.254 1.00 0.00 O ATOM 21 CB SER A 2 -9.790 -4.031 14.190 1.00 0.00 C ATOM 22 OG SER A 2 -9.414 -5.330 14.608 1.00 0.00 O ATOM 0 HA SER A 2 -9.932 -2.885 12.372 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.092 -3.299 14.596 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.775 -3.788 14.589 1.00 0.00 H new ATOM 0 HG SER A 2 -8.438 -5.381 14.680 1.00 0.00 H new ATOM 28 N HIS A 3 -8.532 -5.586 11.422 1.00 0.00 N ATOM 29 CA HIS A 3 -7.330 -6.167 10.837 1.00 0.00 C ATOM 30 C HIS A 3 -7.676 -7.038 9.636 1.00 0.00 C ATOM 31 O HIS A 3 -7.045 -8.065 9.392 1.00 0.00 O ATOM 32 CB HIS A 3 -6.578 -6.976 11.891 1.00 0.00 C ATOM 33 CG HIS A 3 -6.022 -6.121 12.983 1.00 0.00 C ATOM 34 ND1 HIS A 3 -6.796 -5.603 13.998 1.00 0.00 N ATOM 35 CD2 HIS A 3 -4.765 -5.668 13.201 1.00 0.00 C ATOM 36 CE1 HIS A 3 -6.044 -4.865 14.792 1.00 0.00 C ATOM 37 NE2 HIS A 3 -4.805 -4.889 14.332 1.00 0.00 N ATOM 0 H HIS A 3 -9.381 -6.132 11.274 1.00 0.00 H new ATOM 0 HA HIS A 3 -6.687 -5.359 10.488 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -7.250 -7.718 12.322 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -5.765 -7.522 11.413 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -3.894 -5.879 12.599 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -6.383 -4.332 15.668 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -4.008 -4.408 14.749 1.00 0.00 H new ATOM 46 N SER A 4 -8.681 -6.604 8.887 1.00 0.00 N ATOM 47 CA SER A 4 -9.124 -7.318 7.698 1.00 0.00 C ATOM 48 C SER A 4 -10.205 -6.533 6.973 1.00 0.00 C ATOM 49 O SER A 4 -11.144 -6.032 7.593 1.00 0.00 O ATOM 50 CB SER A 4 -9.652 -8.708 8.051 1.00 0.00 C ATOM 51 OG SER A 4 -10.546 -8.651 9.149 1.00 0.00 O ATOM 0 H SER A 4 -9.208 -5.754 9.085 1.00 0.00 H new ATOM 0 HA SER A 4 -8.260 -7.430 7.043 1.00 0.00 H new ATOM 0 HB2 SER A 4 -10.159 -9.138 7.187 1.00 0.00 H new ATOM 0 HB3 SER A 4 -8.818 -9.367 8.291 1.00 0.00 H new ATOM 0 HG SER A 4 -10.871 -9.553 9.354 1.00 0.00 H new ATOM 57 N GLY A 5 -10.070 -6.431 5.661 1.00 0.00 N ATOM 58 CA GLY A 5 -11.047 -5.710 4.874 1.00 0.00 C ATOM 59 C GLY A 5 -10.972 -6.054 3.410 1.00 0.00 C ATOM 60 O GLY A 5 -9.943 -5.851 2.764 1.00 0.00 O ATOM 0 H GLY A 5 -9.301 -6.835 5.126 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -12.047 -5.934 5.246 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -10.893 -4.638 5.001 1.00 0.00 H new ATOM 64 N ALA A 6 -12.068 -6.585 2.890 1.00 0.00 N ATOM 65 CA ALA A 6 -12.145 -6.977 1.491 1.00 0.00 C ATOM 66 C ALA A 6 -11.533 -5.914 0.583 1.00 0.00 C ATOM 67 O ALA A 6 -12.108 -4.846 0.374 1.00 0.00 O ATOM 68 CB ALA A 6 -13.581 -7.270 1.109 1.00 0.00 C ATOM 0 H ALA A 6 -12.922 -6.755 3.420 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.562 -7.888 1.356 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -13.626 -7.562 0.060 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -13.964 -8.081 1.728 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -14.188 -6.378 1.263 1.00 0.00 H new ATOM 74 N ALA A 7 -10.347 -6.217 0.063 1.00 0.00 N ATOM 75 CA ALA A 7 -9.624 -5.290 -0.806 1.00 0.00 C ATOM 76 C ALA A 7 -9.367 -5.887 -2.188 1.00 0.00 C ATOM 77 O ALA A 7 -9.244 -7.100 -2.337 1.00 0.00 O ATOM 78 CB ALA A 7 -8.300 -4.904 -0.159 1.00 0.00 C ATOM 0 H ALA A 7 -9.864 -7.100 0.228 1.00 0.00 H new ATOM 0 HA ALA A 7 -10.247 -4.405 -0.937 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -7.765 -4.213 -0.810 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.490 -4.424 0.801 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.696 -5.798 -0.004 1.00 0.00 H new ATOM 84 N ILE A 8 -9.262 -5.024 -3.197 1.00 0.00 N ATOM 85 CA ILE A 8 -8.993 -5.473 -4.558 1.00 0.00 C ATOM 86 C ILE A 8 -7.523 -5.289 -4.891 1.00 0.00 C ATOM 87 O ILE A 8 -6.980 -4.190 -4.775 1.00 0.00 O ATOM 88 CB ILE A 8 -9.865 -4.728 -5.601 1.00 0.00 C ATOM 89 CG1 ILE A 8 -11.204 -5.447 -5.757 1.00 0.00 C ATOM 90 CG2 ILE A 8 -9.169 -4.612 -6.952 1.00 0.00 C ATOM 91 CD1 ILE A 8 -12.381 -4.622 -5.317 1.00 0.00 C ATOM 0 H ILE A 8 -9.359 -4.014 -3.096 1.00 0.00 H new ATOM 0 HA ILE A 8 -9.250 -6.531 -4.606 1.00 0.00 H new ATOM 0 HB ILE A 8 -10.030 -3.715 -5.235 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -11.337 -5.728 -6.802 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -11.181 -6.371 -5.179 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -9.817 -4.083 -7.651 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -8.236 -4.061 -6.834 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.956 -5.609 -7.338 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -13.298 -5.194 -5.455 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -12.270 -4.363 -4.264 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -12.429 -3.710 -5.912 1.00 0.00 H new ATOM 103 N PHE A 9 -6.885 -6.370 -5.304 1.00 0.00 N ATOM 104 CA PHE A 9 -5.468 -6.321 -5.652 1.00 0.00 C ATOM 105 C PHE A 9 -5.260 -6.538 -7.145 1.00 0.00 C ATOM 106 O PHE A 9 -5.794 -7.482 -7.725 1.00 0.00 O ATOM 107 CB PHE A 9 -4.682 -7.364 -4.859 1.00 0.00 C ATOM 108 CG PHE A 9 -3.192 -7.207 -4.980 1.00 0.00 C ATOM 109 CD1 PHE A 9 -2.579 -6.015 -4.630 1.00 0.00 C ATOM 110 CD2 PHE A 9 -2.408 -8.251 -5.444 1.00 0.00 C ATOM 111 CE1 PHE A 9 -1.210 -5.867 -4.741 1.00 0.00 C ATOM 112 CE2 PHE A 9 -1.037 -8.108 -5.558 1.00 0.00 C ATOM 113 CZ PHE A 9 -0.438 -6.915 -5.205 1.00 0.00 C ATOM 0 H PHE A 9 -7.318 -7.288 -5.408 1.00 0.00 H new ATOM 0 HA PHE A 9 -5.099 -5.328 -5.394 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -4.963 -7.298 -3.808 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.964 -8.359 -5.202 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.178 -5.193 -4.267 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -2.872 -9.186 -5.720 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -0.743 -4.933 -4.465 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -0.436 -8.928 -5.922 1.00 0.00 H new ATOM 0 HZ PHE A 9 0.632 -6.801 -5.291 1.00 0.00 H new ATOM 123 N GLU A 10 -4.480 -5.656 -7.765 1.00 0.00 N ATOM 124 CA GLU A 10 -4.201 -5.753 -9.194 1.00 0.00 C ATOM 125 C GLU A 10 -5.492 -5.788 -9.998 1.00 0.00 C ATOM 126 O GLU A 10 -5.579 -6.473 -11.018 1.00 0.00 O ATOM 127 CB GLU A 10 -3.371 -7.002 -9.486 1.00 0.00 C ATOM 128 CG GLU A 10 -2.073 -7.061 -8.698 1.00 0.00 C ATOM 129 CD GLU A 10 -1.237 -8.280 -9.037 1.00 0.00 C ATOM 130 OE1 GLU A 10 -1.761 -9.193 -9.710 1.00 0.00 O ATOM 131 OE2 GLU A 10 -0.057 -8.320 -8.631 1.00 0.00 O ATOM 0 H GLU A 10 -4.031 -4.867 -7.300 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.635 -4.870 -9.490 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.966 -7.886 -9.258 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.143 -7.037 -10.551 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.492 -6.160 -8.896 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.300 -7.066 -7.632 1.00 0.00 H new ATOM 138 N LYS A 11 -6.503 -5.059 -9.524 1.00 0.00 N ATOM 139 CA LYS A 11 -7.800 -5.022 -10.190 1.00 0.00 C ATOM 140 C LYS A 11 -8.576 -6.304 -9.911 1.00 0.00 C ATOM 141 O LYS A 11 -9.700 -6.474 -10.385 1.00 0.00 O ATOM 142 CB LYS A 11 -7.638 -4.820 -11.701 1.00 0.00 C ATOM 143 CG LYS A 11 -6.659 -3.717 -12.069 1.00 0.00 C ATOM 144 CD LYS A 11 -6.561 -3.539 -13.575 1.00 0.00 C ATOM 145 CE LYS A 11 -7.819 -2.907 -14.145 1.00 0.00 C ATOM 146 NZ LYS A 11 -8.171 -3.473 -15.477 1.00 0.00 N ATOM 0 H LYS A 11 -6.446 -4.487 -8.681 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.360 -4.176 -9.792 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.303 -5.755 -12.150 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.611 -4.589 -12.134 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.976 -2.780 -11.611 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.675 -3.953 -11.665 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.699 -2.915 -13.813 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.394 -4.507 -14.047 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.648 -3.062 -13.454 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.676 -1.830 -14.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.035 -3.015 -15.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.391 -3.303 -16.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.333 -4.496 -15.387 1.00 0.00 H new ATOM 160 N VAL A 12 -7.981 -7.195 -9.118 1.00 0.00 N ATOM 161 CA VAL A 12 -8.626 -8.441 -8.759 1.00 0.00 C ATOM 162 C VAL A 12 -9.235 -8.314 -7.385 1.00 0.00 C ATOM 163 O VAL A 12 -8.806 -7.494 -6.575 1.00 0.00 O ATOM 164 CB VAL A 12 -7.652 -9.631 -8.793 1.00 0.00 C ATOM 165 CG1 VAL A 12 -8.252 -10.857 -8.113 1.00 0.00 C ATOM 166 CG2 VAL A 12 -7.297 -9.945 -10.225 1.00 0.00 C ATOM 0 H VAL A 12 -7.052 -7.069 -8.716 1.00 0.00 H new ATOM 0 HA VAL A 12 -9.403 -8.638 -9.497 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.750 -9.359 -8.244 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.539 -11.681 -8.154 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.477 -10.623 -7.072 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.169 -11.145 -8.626 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.607 -10.788 -10.252 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.202 -10.199 -10.777 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.825 -9.075 -10.682 1.00 0.00 H new ATOM 176 N SER A 13 -10.243 -9.109 -7.128 1.00 0.00 N ATOM 177 CA SER A 13 -10.918 -9.047 -5.846 1.00 0.00 C ATOM 178 C SER A 13 -10.409 -10.094 -4.866 1.00 0.00 C ATOM 179 O SER A 13 -9.986 -11.184 -5.250 1.00 0.00 O ATOM 180 CB SER A 13 -12.419 -9.181 -6.024 1.00 0.00 C ATOM 181 OG SER A 13 -12.765 -10.437 -6.581 1.00 0.00 O ATOM 0 H SER A 13 -10.615 -9.801 -7.778 1.00 0.00 H new ATOM 0 HA SER A 13 -10.692 -8.070 -5.420 1.00 0.00 H new ATOM 0 HB2 SER A 13 -12.913 -9.061 -5.060 1.00 0.00 H new ATOM 0 HB3 SER A 13 -12.783 -8.382 -6.670 1.00 0.00 H new ATOM 0 HG SER A 13 -12.311 -11.151 -6.086 1.00 0.00 H new ATOM 187 N GLY A 14 -10.461 -9.729 -3.594 1.00 0.00 N ATOM 188 CA GLY A 14 -10.015 -10.595 -2.527 1.00 0.00 C ATOM 189 C GLY A 14 -10.087 -9.871 -1.204 1.00 0.00 C ATOM 190 O GLY A 14 -10.485 -8.709 -1.158 1.00 0.00 O ATOM 0 H GLY A 14 -10.814 -8.825 -3.279 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.634 -11.492 -2.493 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -8.992 -10.921 -2.717 1.00 0.00 H new ATOM 194 N ILE A 15 -9.704 -10.530 -0.122 1.00 0.00 N ATOM 195 CA ILE A 15 -9.740 -9.883 1.175 1.00 0.00 C ATOM 196 C ILE A 15 -8.339 -9.551 1.645 1.00 0.00 C ATOM 197 O ILE A 15 -7.395 -10.310 1.428 1.00 0.00 O ATOM 198 CB ILE A 15 -10.470 -10.726 2.253 1.00 0.00 C ATOM 199 CG1 ILE A 15 -11.976 -10.844 1.956 1.00 0.00 C ATOM 200 CG2 ILE A 15 -10.276 -10.104 3.636 1.00 0.00 C ATOM 201 CD1 ILE A 15 -12.405 -10.361 0.586 1.00 0.00 C ATOM 0 H ILE A 15 -9.371 -11.494 -0.116 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.311 -8.964 1.043 1.00 0.00 H new ATOM 0 HB ILE A 15 -10.035 -11.725 2.234 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -12.270 -11.888 2.064 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -12.524 -10.279 2.710 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -10.794 -10.707 4.382 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.213 -10.068 3.873 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -10.683 -9.093 3.640 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -13.482 -10.487 0.477 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -12.150 -9.307 0.475 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -11.892 -10.941 -0.181 1.00 0.00 H new ATOM 213 N ILE A 16 -8.222 -8.412 2.302 1.00 0.00 N ATOM 214 CA ILE A 16 -6.949 -7.966 2.820 1.00 0.00 C ATOM 215 C ILE A 16 -6.959 -8.134 4.329 1.00 0.00 C ATOM 216 O ILE A 16 -7.790 -7.551 5.020 1.00 0.00 O ATOM 217 CB ILE A 16 -6.679 -6.485 2.436 1.00 0.00 C ATOM 218 CG1 ILE A 16 -5.540 -6.391 1.421 1.00 0.00 C ATOM 219 CG2 ILE A 16 -6.368 -5.628 3.653 1.00 0.00 C ATOM 220 CD1 ILE A 16 -5.235 -4.972 0.991 1.00 0.00 C ATOM 0 H ILE A 16 -8.999 -7.778 2.488 1.00 0.00 H new ATOM 0 HA ILE A 16 -6.149 -8.565 2.385 1.00 0.00 H new ATOM 0 HB ILE A 16 -7.593 -6.099 1.984 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.642 -6.833 1.852 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.797 -6.982 0.542 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -6.186 -4.601 3.338 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -7.213 -5.652 4.341 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -5.481 -6.016 4.154 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.417 -4.978 0.271 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -6.120 -4.533 0.531 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.948 -4.382 1.861 1.00 0.00 H new ATOM 232 N ALA A 17 -6.056 -8.954 4.830 1.00 0.00 N ATOM 233 CA ALA A 17 -5.992 -9.216 6.257 1.00 0.00 C ATOM 234 C ALA A 17 -4.652 -8.792 6.840 1.00 0.00 C ATOM 235 O ALA A 17 -3.592 -9.149 6.326 1.00 0.00 O ATOM 236 CB ALA A 17 -6.274 -10.684 6.524 1.00 0.00 C ATOM 0 H ALA A 17 -5.359 -9.449 4.274 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.757 -8.620 6.755 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.225 -10.875 7.596 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.268 -10.936 6.156 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.532 -11.296 6.012 1.00 0.00 H new ATOM 242 N ILE A 18 -4.715 -8.015 7.914 1.00 0.00 N ATOM 243 CA ILE A 18 -3.523 -7.514 8.579 1.00 0.00 C ATOM 244 C ILE A 18 -3.240 -8.300 9.856 1.00 0.00 C ATOM 245 O ILE A 18 -4.155 -8.652 10.599 1.00 0.00 O ATOM 246 CB ILE A 18 -3.683 -6.010 8.900 1.00 0.00 C ATOM 247 CG1 ILE A 18 -3.617 -5.194 7.608 1.00 0.00 C ATOM 248 CG2 ILE A 18 -2.630 -5.535 9.891 1.00 0.00 C ATOM 249 CD1 ILE A 18 -3.802 -3.708 7.820 1.00 0.00 C ATOM 0 H ILE A 18 -5.590 -7.717 8.345 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.676 -7.644 7.905 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.657 -5.862 9.366 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.654 -5.367 7.128 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.384 -5.553 6.922 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.773 -4.474 10.093 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.725 -6.097 10.820 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.637 -5.694 9.471 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.743 -3.194 6.861 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.777 -3.523 8.272 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -3.020 -3.335 8.481 1.00 0.00 H new ATOM 261 N ASN A 19 -1.963 -8.577 10.103 1.00 0.00 N ATOM 262 CA ASN A 19 -1.560 -9.324 11.288 1.00 0.00 C ATOM 263 C ASN A 19 -0.397 -8.636 11.996 1.00 0.00 C ATOM 264 O ASN A 19 0.719 -8.593 11.478 1.00 0.00 O ATOM 265 CB ASN A 19 -1.169 -10.752 10.908 1.00 0.00 C ATOM 266 CG ASN A 19 -1.054 -11.660 12.117 1.00 0.00 C ATOM 267 OD1 ASN A 19 -1.238 -11.227 13.253 1.00 0.00 O ATOM 268 ND2 ASN A 19 -0.750 -12.931 11.875 1.00 0.00 N ATOM 0 H ASN A 19 -1.191 -8.295 9.499 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.408 -9.357 11.971 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -1.911 -11.158 10.221 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.217 -10.736 10.377 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.661 -13.590 12.648 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -0.606 -13.247 10.916 1.00 0.00 H new ATOM 275 N GLU A 20 -0.666 -8.101 13.183 1.00 0.00 N ATOM 276 CA GLU A 20 0.361 -7.417 13.961 1.00 0.00 C ATOM 277 C GLU A 20 1.037 -8.370 14.944 1.00 0.00 C ATOM 278 O GLU A 20 1.881 -7.956 15.740 1.00 0.00 O ATOM 279 CB GLU A 20 -0.243 -6.231 14.714 1.00 0.00 C ATOM 280 CG GLU A 20 -0.864 -5.184 13.803 1.00 0.00 C ATOM 281 CD GLU A 20 -1.391 -3.984 14.566 1.00 0.00 C ATOM 282 OE1 GLU A 20 -1.488 -4.065 15.809 1.00 0.00 O ATOM 283 OE2 GLU A 20 -1.707 -2.962 13.920 1.00 0.00 O ATOM 0 H GLU A 20 -1.584 -8.128 13.626 1.00 0.00 H new ATOM 0 HA GLU A 20 1.117 -7.051 13.266 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.004 -6.598 15.403 1.00 0.00 H new ATOM 0 HB3 GLU A 20 0.534 -5.761 15.317 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -0.120 -4.851 13.079 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.679 -5.637 13.238 1.00 0.00 H new ATOM 290 N ASP A 21 0.675 -9.647 14.879 1.00 0.00 N ATOM 291 CA ASP A 21 1.260 -10.652 15.753 1.00 0.00 C ATOM 292 C ASP A 21 2.635 -11.064 15.244 1.00 0.00 C ATOM 293 O ASP A 21 3.434 -11.648 15.977 1.00 0.00 O ATOM 294 CB ASP A 21 0.348 -11.877 15.834 1.00 0.00 C ATOM 295 CG ASP A 21 0.785 -12.855 16.907 1.00 0.00 C ATOM 296 OD1 ASP A 21 1.610 -12.471 17.762 1.00 0.00 O ATOM 297 OD2 ASP A 21 0.300 -14.006 16.892 1.00 0.00 O ATOM 0 H ASP A 21 -0.022 -10.009 14.228 1.00 0.00 H new ATOM 0 HA ASP A 21 1.368 -10.222 16.749 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -0.673 -11.553 16.036 1.00 0.00 H new ATOM 0 HB3 ASP A 21 0.337 -12.383 14.868 1.00 0.00 H new ATOM 302 N VAL A 22 2.903 -10.756 13.978 1.00 0.00 N ATOM 303 CA VAL A 22 4.175 -11.093 13.362 1.00 0.00 C ATOM 304 C VAL A 22 5.088 -9.872 13.294 1.00 0.00 C ATOM 305 O VAL A 22 4.634 -8.760 13.021 1.00 0.00 O ATOM 306 CB VAL A 22 3.987 -11.657 11.938 1.00 0.00 C ATOM 307 CG1 VAL A 22 4.004 -13.178 11.958 1.00 0.00 C ATOM 308 CG2 VAL A 22 2.703 -11.142 11.299 1.00 0.00 C ATOM 0 H VAL A 22 2.251 -10.272 13.360 1.00 0.00 H new ATOM 0 HA VAL A 22 4.634 -11.859 13.987 1.00 0.00 H new ATOM 0 HB VAL A 22 4.822 -11.308 11.330 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.870 -13.557 10.945 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.959 -13.526 12.352 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.195 -13.543 12.591 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.603 -11.559 10.297 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.849 -11.444 11.905 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.738 -10.054 11.237 1.00 0.00 H new ATOM 318 N SER A 23 6.374 -10.087 13.542 1.00 0.00 N ATOM 319 CA SER A 23 7.349 -9.003 13.506 1.00 0.00 C ATOM 320 C SER A 23 8.326 -9.190 12.342 1.00 0.00 C ATOM 321 O SER A 23 9.068 -10.171 12.305 1.00 0.00 O ATOM 322 CB SER A 23 8.114 -8.934 14.829 1.00 0.00 C ATOM 323 OG SER A 23 9.351 -8.260 14.672 1.00 0.00 O ATOM 0 H SER A 23 6.766 -11.001 13.770 1.00 0.00 H new ATOM 0 HA SER A 23 6.812 -8.066 13.358 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.509 -8.419 15.575 1.00 0.00 H new ATOM 0 HB3 SER A 23 8.291 -9.943 15.202 1.00 0.00 H new ATOM 0 HG SER A 23 9.818 -8.229 15.533 1.00 0.00 H new ATOM 329 N PRO A 24 8.341 -8.256 11.371 1.00 0.00 N ATOM 330 CA PRO A 24 7.481 -7.074 11.364 1.00 0.00 C ATOM 331 C PRO A 24 6.083 -7.386 10.840 1.00 0.00 C ATOM 332 O PRO A 24 5.924 -8.180 9.914 1.00 0.00 O ATOM 333 CB PRO A 24 8.201 -6.097 10.420 1.00 0.00 C ATOM 334 CG PRO A 24 9.389 -6.827 9.869 1.00 0.00 C ATOM 335 CD PRO A 24 9.208 -8.284 10.192 1.00 0.00 C ATOM 0 HA PRO A 24 7.333 -6.676 12.368 1.00 0.00 H new ATOM 0 HB2 PRO A 24 7.538 -5.775 9.617 1.00 0.00 H new ATOM 0 HB3 PRO A 24 8.512 -5.200 10.955 1.00 0.00 H new ATOM 0 HG2 PRO A 24 9.465 -6.679 8.792 1.00 0.00 H new ATOM 0 HG3 PRO A 24 10.311 -6.448 10.309 1.00 0.00 H new ATOM 0 HD2 PRO A 24 8.748 -8.826 9.366 1.00 0.00 H new ATOM 0 HD3 PRO A 24 10.160 -8.772 10.403 1.00 0.00 H new ATOM 343 N ALA A 25 5.073 -6.756 11.435 1.00 0.00 N ATOM 344 CA ALA A 25 3.689 -6.971 11.019 1.00 0.00 C ATOM 345 C ALA A 25 3.553 -6.858 9.505 1.00 0.00 C ATOM 346 O ALA A 25 4.215 -6.034 8.873 1.00 0.00 O ATOM 347 CB ALA A 25 2.767 -5.978 11.710 1.00 0.00 C ATOM 0 H ALA A 25 5.186 -6.095 12.204 1.00 0.00 H new ATOM 0 HA ALA A 25 3.398 -7.980 11.312 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.740 -6.151 11.389 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.837 -6.107 12.790 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.063 -4.963 11.446 1.00 0.00 H new ATOM 353 N GLU A 26 2.700 -7.694 8.923 1.00 0.00 N ATOM 354 CA GLU A 26 2.494 -7.684 7.481 1.00 0.00 C ATOM 355 C GLU A 26 1.014 -7.775 7.126 1.00 0.00 C ATOM 356 O GLU A 26 0.176 -8.086 7.970 1.00 0.00 O ATOM 357 CB GLU A 26 3.252 -8.846 6.832 1.00 0.00 C ATOM 358 CG GLU A 26 4.722 -8.904 7.213 1.00 0.00 C ATOM 359 CD GLU A 26 5.495 -9.932 6.410 1.00 0.00 C ATOM 360 OE1 GLU A 26 4.853 -10.758 5.727 1.00 0.00 O ATOM 361 OE2 GLU A 26 6.742 -9.911 6.464 1.00 0.00 O ATOM 0 H GLU A 26 2.142 -8.384 9.426 1.00 0.00 H new ATOM 0 HA GLU A 26 2.877 -6.738 7.099 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.775 -9.784 7.116 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.169 -8.762 5.748 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.170 -7.922 7.065 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.809 -9.138 8.274 1.00 0.00 H new ATOM 368 N LEU A 27 0.709 -7.508 5.860 1.00 0.00 N ATOM 369 CA LEU A 27 -0.660 -7.563 5.365 1.00 0.00 C ATOM 370 C LEU A 27 -0.759 -8.573 4.227 1.00 0.00 C ATOM 371 O LEU A 27 0.036 -8.539 3.288 1.00 0.00 O ATOM 372 CB LEU A 27 -1.106 -6.178 4.888 1.00 0.00 C ATOM 373 CG LEU A 27 -2.443 -6.142 4.143 1.00 0.00 C ATOM 374 CD1 LEU A 27 -3.088 -4.770 4.273 1.00 0.00 C ATOM 375 CD2 LEU A 27 -2.245 -6.502 2.677 1.00 0.00 C ATOM 0 H LEU A 27 1.398 -7.250 5.154 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.318 -7.879 6.175 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.173 -5.518 5.753 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.334 -5.771 4.235 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.109 -6.879 4.592 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.037 -4.762 3.738 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.263 -4.549 5.326 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.426 -4.015 3.849 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.205 -6.472 2.162 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.563 -5.788 2.216 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.825 -7.505 2.602 1.00 0.00 H new ATOM 387 N THR A 28 -1.722 -9.482 4.323 1.00 0.00 N ATOM 388 CA THR A 28 -1.893 -10.509 3.302 1.00 0.00 C ATOM 389 C THR A 28 -3.240 -10.393 2.594 1.00 0.00 C ATOM 390 O THR A 28 -4.292 -10.359 3.231 1.00 0.00 O ATOM 391 CB THR A 28 -1.755 -11.899 3.926 1.00 0.00 C ATOM 392 OG1 THR A 28 -0.525 -12.018 4.617 1.00 0.00 O ATOM 393 CG2 THR A 28 -1.823 -13.020 2.911 1.00 0.00 C ATOM 0 H THR A 28 -2.392 -9.529 5.091 1.00 0.00 H new ATOM 0 HA THR A 28 -1.112 -10.361 2.557 1.00 0.00 H new ATOM 0 HB THR A 28 -2.601 -11.996 4.607 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.456 -12.913 5.010 1.00 0.00 H new ATOM 0 HG21 THR A 28 -1.719 -13.978 3.420 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.782 -12.986 2.395 1.00 0.00 H new ATOM 0 HG23 THR A 28 -1.017 -12.904 2.186 1.00 0.00 H new ATOM 401 N TRP A 29 -3.188 -10.351 1.266 1.00 0.00 N ATOM 402 CA TRP A 29 -4.378 -10.260 0.445 1.00 0.00 C ATOM 403 C TRP A 29 -4.734 -11.631 -0.115 1.00 0.00 C ATOM 404 O TRP A 29 -3.883 -12.319 -0.679 1.00 0.00 O ATOM 405 CB TRP A 29 -4.143 -9.283 -0.705 1.00 0.00 C ATOM 406 CG TRP A 29 -5.296 -9.206 -1.651 1.00 0.00 C ATOM 407 CD1 TRP A 29 -6.504 -8.641 -1.401 1.00 0.00 C ATOM 408 CD2 TRP A 29 -5.356 -9.722 -2.984 1.00 0.00 C ATOM 409 NE1 TRP A 29 -7.318 -8.755 -2.501 1.00 0.00 N ATOM 410 CE2 TRP A 29 -6.635 -9.420 -3.488 1.00 0.00 C ATOM 411 CE3 TRP A 29 -4.452 -10.406 -3.802 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -7.032 -9.779 -4.774 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -4.848 -10.762 -5.077 1.00 0.00 C ATOM 414 CH2 TRP A 29 -6.128 -10.448 -5.553 1.00 0.00 C ATOM 0 H TRP A 29 -2.318 -10.379 0.735 1.00 0.00 H new ATOM 0 HA TRP A 29 -5.202 -9.901 1.061 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -3.948 -8.291 -0.297 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -3.250 -9.584 -1.253 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -6.785 -8.170 -0.471 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -8.273 -8.403 -2.573 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -3.463 -10.651 -3.444 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -8.018 -9.538 -5.143 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -4.159 -11.292 -5.718 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -6.406 -10.740 -6.555 1.00 0.00 H new ATOM 425 N ARG A 30 -5.990 -12.024 0.039 1.00 0.00 N ATOM 426 CA ARG A 30 -6.443 -13.316 -0.460 1.00 0.00 C ATOM 427 C ARG A 30 -7.642 -13.152 -1.387 1.00 0.00 C ATOM 428 O ARG A 30 -8.705 -12.704 -0.964 1.00 0.00 O ATOM 429 CB ARG A 30 -6.800 -14.242 0.705 1.00 0.00 C ATOM 430 CG ARG A 30 -7.234 -15.631 0.266 1.00 0.00 C ATOM 431 CD ARG A 30 -6.666 -16.707 1.179 1.00 0.00 C ATOM 432 NE ARG A 30 -7.128 -18.042 0.806 1.00 0.00 N ATOM 433 CZ ARG A 30 -6.607 -19.168 1.290 1.00 0.00 C ATOM 434 NH1 ARG A 30 -5.609 -19.124 2.163 1.00 0.00 N ATOM 435 NH2 ARG A 30 -7.086 -20.340 0.898 1.00 0.00 N ATOM 0 H ARG A 30 -6.711 -11.471 0.503 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.628 -13.763 -1.030 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.937 -14.331 1.365 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -7.601 -13.787 1.288 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -8.322 -15.690 0.266 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.905 -15.810 -0.758 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -5.577 -16.677 1.141 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -6.955 -16.498 2.209 1.00 0.00 H new ATOM 0 HE ARG A 30 -7.894 -18.116 0.136 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -5.237 -18.224 2.467 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -5.214 -19.990 2.530 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -7.853 -20.379 0.226 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -6.688 -21.203 1.268 1.00 0.00 H new ATOM 449 N SER A 31 -7.462 -13.520 -2.652 1.00 0.00 N ATOM 450 CA SER A 31 -8.529 -13.412 -3.645 1.00 0.00 C ATOM 451 C SER A 31 -9.850 -13.940 -3.090 1.00 0.00 C ATOM 452 O SER A 31 -9.871 -14.646 -2.082 1.00 0.00 O ATOM 453 CB SER A 31 -8.155 -14.182 -4.912 1.00 0.00 C ATOM 454 OG SER A 31 -6.845 -13.853 -5.341 1.00 0.00 O ATOM 0 H SER A 31 -6.586 -13.896 -3.015 1.00 0.00 H new ATOM 0 HA SER A 31 -8.654 -12.357 -3.890 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.221 -15.253 -4.723 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.868 -13.954 -5.704 1.00 0.00 H new ATOM 0 HG SER A 31 -6.232 -13.886 -4.577 1.00 0.00 H new ATOM 460 N THR A 32 -10.948 -13.599 -3.755 1.00 0.00 N ATOM 461 CA THR A 32 -12.262 -14.046 -3.330 1.00 0.00 C ATOM 462 C THR A 32 -12.411 -15.526 -3.616 1.00 0.00 C ATOM 463 O THR A 32 -12.945 -16.287 -2.808 1.00 0.00 O ATOM 464 CB THR A 32 -13.353 -13.256 -4.056 1.00 0.00 C ATOM 465 OG1 THR A 32 -12.786 -12.257 -4.885 1.00 0.00 O ATOM 466 CG2 THR A 32 -14.319 -12.572 -3.115 1.00 0.00 C ATOM 0 H THR A 32 -10.950 -13.014 -4.591 1.00 0.00 H new ATOM 0 HA THR A 32 -12.367 -13.875 -2.259 1.00 0.00 H new ATOM 0 HB THR A 32 -13.899 -13.994 -4.644 1.00 0.00 H new ATOM 0 HG1 THR A 32 -13.448 -11.553 -5.048 1.00 0.00 H new ATOM 0 HG21 THR A 32 -15.067 -12.029 -3.693 1.00 0.00 H new ATOM 0 HG22 THR A 32 -14.812 -13.319 -2.493 1.00 0.00 H new ATOM 0 HG23 THR A 32 -13.775 -11.873 -2.479 1.00 0.00 H new ATOM 474 N ASP A 33 -11.925 -15.917 -4.779 1.00 0.00 N ATOM 475 CA ASP A 33 -11.979 -17.299 -5.207 1.00 0.00 C ATOM 476 C ASP A 33 -10.818 -18.100 -4.622 1.00 0.00 C ATOM 477 O ASP A 33 -10.876 -19.327 -4.543 1.00 0.00 O ATOM 478 CB ASP A 33 -11.962 -17.387 -6.734 1.00 0.00 C ATOM 479 CG ASP A 33 -12.189 -18.801 -7.235 1.00 0.00 C ATOM 480 OD1 ASP A 33 -12.626 -19.653 -6.433 1.00 0.00 O ATOM 481 OD2 ASP A 33 -11.930 -19.055 -8.430 1.00 0.00 O ATOM 0 H ASP A 33 -11.484 -15.288 -5.450 1.00 0.00 H new ATOM 0 HA ASP A 33 -12.911 -17.728 -4.839 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -12.732 -16.732 -7.141 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -11.004 -17.022 -7.105 1.00 0.00 H new ATOM 486 N GLY A 34 -9.764 -17.398 -4.216 1.00 0.00 N ATOM 487 CA GLY A 34 -8.604 -18.058 -3.647 1.00 0.00 C ATOM 488 C GLY A 34 -7.620 -18.510 -4.708 1.00 0.00 C ATOM 489 O GLY A 34 -6.976 -19.548 -4.565 1.00 0.00 O ATOM 0 H GLY A 34 -9.693 -16.382 -4.271 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.104 -17.378 -2.957 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.929 -18.921 -3.065 1.00 0.00 H new ATOM 493 N ASP A 35 -7.511 -17.730 -5.779 1.00 0.00 N ATOM 494 CA ASP A 35 -6.602 -18.059 -6.872 1.00 0.00 C ATOM 495 C ASP A 35 -5.316 -17.242 -6.795 1.00 0.00 C ATOM 496 O ASP A 35 -4.294 -17.627 -7.365 1.00 0.00 O ATOM 497 CB ASP A 35 -7.288 -17.822 -8.219 1.00 0.00 C ATOM 498 CG ASP A 35 -6.440 -18.281 -9.389 1.00 0.00 C ATOM 499 OD1 ASP A 35 -6.482 -19.486 -9.715 1.00 0.00 O ATOM 500 OD2 ASP A 35 -5.734 -17.436 -9.977 1.00 0.00 O ATOM 0 H ASP A 35 -8.039 -16.868 -5.913 1.00 0.00 H new ATOM 0 HA ASP A 35 -6.339 -19.113 -6.779 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -8.241 -18.350 -8.236 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -7.510 -16.760 -8.329 1.00 0.00 H new ATOM 505 N LYS A 36 -5.367 -16.116 -6.095 1.00 0.00 N ATOM 506 CA LYS A 36 -4.198 -15.253 -5.956 1.00 0.00 C ATOM 507 C LYS A 36 -4.024 -14.782 -4.515 1.00 0.00 C ATOM 508 O LYS A 36 -5.001 -14.524 -3.811 1.00 0.00 O ATOM 509 CB LYS A 36 -4.314 -14.044 -6.883 1.00 0.00 C ATOM 510 CG LYS A 36 -3.388 -14.112 -8.088 1.00 0.00 C ATOM 511 CD LYS A 36 -4.166 -14.158 -9.393 1.00 0.00 C ATOM 512 CE LYS A 36 -3.612 -13.171 -10.407 1.00 0.00 C ATOM 513 NZ LYS A 36 -4.559 -12.936 -11.531 1.00 0.00 N ATOM 0 H LYS A 36 -6.202 -15.779 -5.616 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.321 -15.838 -6.235 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.344 -13.960 -7.230 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.094 -13.139 -6.316 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.727 -13.245 -8.089 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.754 -14.996 -8.011 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.127 -15.166 -9.806 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.215 -13.933 -9.200 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.396 -12.225 -9.911 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.668 -13.547 -10.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.143 -12.257 -12.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.746 -13.834 -12.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.451 -12.552 -11.159 1.00 0.00 H new ATOM 527 N VAL A 37 -2.772 -14.663 -4.090 1.00 0.00 N ATOM 528 CA VAL A 37 -2.458 -14.210 -2.740 1.00 0.00 C ATOM 529 C VAL A 37 -1.266 -13.257 -2.746 1.00 0.00 C ATOM 530 O VAL A 37 -0.280 -13.487 -3.448 1.00 0.00 O ATOM 531 CB VAL A 37 -2.160 -15.399 -1.802 1.00 0.00 C ATOM 532 CG1 VAL A 37 -0.881 -16.113 -2.217 1.00 0.00 C ATOM 533 CG2 VAL A 37 -2.073 -14.929 -0.357 1.00 0.00 C ATOM 0 H VAL A 37 -1.955 -14.875 -4.663 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.336 -13.682 -2.367 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.982 -16.111 -1.883 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.694 -16.947 -1.540 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.988 -16.489 -3.235 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.044 -15.416 -2.174 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.862 -15.780 0.290 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.274 -14.194 -0.261 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.020 -14.476 -0.064 1.00 0.00 H new ATOM 543 N HIS A 38 -1.360 -12.184 -1.966 1.00 0.00 N ATOM 544 CA HIS A 38 -0.287 -11.198 -1.890 1.00 0.00 C ATOM 545 C HIS A 38 0.043 -10.854 -0.442 1.00 0.00 C ATOM 546 O HIS A 38 -0.836 -10.827 0.415 1.00 0.00 O ATOM 547 CB HIS A 38 -0.674 -9.927 -2.647 1.00 0.00 C ATOM 548 CG HIS A 38 0.501 -9.169 -3.183 1.00 0.00 C ATOM 549 ND1 HIS A 38 1.281 -9.625 -4.225 1.00 0.00 N ATOM 550 CD2 HIS A 38 1.029 -7.976 -2.815 1.00 0.00 C ATOM 551 CE1 HIS A 38 2.237 -8.748 -4.474 1.00 0.00 C ATOM 552 NE2 HIS A 38 2.105 -7.739 -3.633 1.00 0.00 N ATOM 0 H HIS A 38 -2.167 -11.975 -1.378 1.00 0.00 H new ATOM 0 HA HIS A 38 0.598 -11.635 -2.352 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -1.333 -10.193 -3.474 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -1.243 -9.277 -1.982 1.00 0.00 H new ATOM 0 HD2 HIS A 38 0.670 -7.332 -2.026 1.00 0.00 H new ATOM 0 HE1 HIS A 38 2.997 -8.841 -5.236 1.00 0.00 H new ATOM 0 HE2 HIS A 38 2.706 -6.916 -3.597 1.00 0.00 H new ATOM 561 N THR A 39 1.317 -10.593 -0.178 1.00 0.00 N ATOM 562 CA THR A 39 1.765 -10.251 1.168 1.00 0.00 C ATOM 563 C THR A 39 2.603 -8.974 1.158 1.00 0.00 C ATOM 564 O THR A 39 3.474 -8.801 0.306 1.00 0.00 O ATOM 565 CB THR A 39 2.575 -11.400 1.767 1.00 0.00 C ATOM 566 OG1 THR A 39 1.835 -12.608 1.732 1.00 0.00 O ATOM 567 CG2 THR A 39 2.989 -11.158 3.203 1.00 0.00 C ATOM 0 H THR A 39 2.059 -10.611 -0.877 1.00 0.00 H new ATOM 0 HA THR A 39 0.881 -10.079 1.783 1.00 0.00 H new ATOM 0 HB THR A 39 3.473 -11.468 1.154 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.371 -13.332 2.118 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.560 -12.012 3.566 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.605 -10.260 3.258 1.00 0.00 H new ATOM 0 HG23 THR A 39 2.101 -11.027 3.821 1.00 0.00 H new ATOM 575 N VAL A 40 2.337 -8.086 2.112 1.00 0.00 N ATOM 576 CA VAL A 40 3.072 -6.830 2.210 1.00 0.00 C ATOM 577 C VAL A 40 3.587 -6.590 3.621 1.00 0.00 C ATOM 578 O VAL A 40 2.892 -6.852 4.603 1.00 0.00 O ATOM 579 CB VAL A 40 2.212 -5.614 1.808 1.00 0.00 C ATOM 580 CG1 VAL A 40 2.993 -4.317 2.016 1.00 0.00 C ATOM 581 CG2 VAL A 40 1.739 -5.739 0.368 1.00 0.00 C ATOM 0 H VAL A 40 1.620 -8.213 2.826 1.00 0.00 H new ATOM 0 HA VAL A 40 3.907 -6.928 1.517 1.00 0.00 H new ATOM 0 HB VAL A 40 1.330 -5.589 2.448 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.373 -3.468 1.728 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.270 -4.224 3.066 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.894 -4.332 1.403 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.135 -4.870 0.107 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.602 -5.793 -0.295 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.141 -6.643 0.259 1.00 0.00 H new ATOM 591 N VAL A 41 4.796 -6.059 3.707 1.00 0.00 N ATOM 592 CA VAL A 41 5.397 -5.744 4.990 1.00 0.00 C ATOM 593 C VAL A 41 4.990 -4.332 5.407 1.00 0.00 C ATOM 594 O VAL A 41 5.297 -3.357 4.720 1.00 0.00 O ATOM 595 CB VAL A 41 6.932 -5.841 4.918 1.00 0.00 C ATOM 596 CG1 VAL A 41 7.465 -4.939 3.815 1.00 0.00 C ATOM 597 CG2 VAL A 41 7.565 -5.507 6.263 1.00 0.00 C ATOM 0 H VAL A 41 5.380 -5.837 2.901 1.00 0.00 H new ATOM 0 HA VAL A 41 5.043 -6.465 5.726 1.00 0.00 H new ATOM 0 HB VAL A 41 7.203 -6.869 4.678 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.551 -5.017 3.775 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.043 -5.246 2.858 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.183 -3.907 4.021 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.649 -5.583 6.184 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.293 -4.492 6.551 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.206 -6.207 7.018 1.00 0.00 H new ATOM 607 N LEU A 42 4.279 -4.231 6.520 1.00 0.00 N ATOM 608 CA LEU A 42 3.809 -2.941 7.012 1.00 0.00 C ATOM 609 C LEU A 42 4.928 -2.129 7.667 1.00 0.00 C ATOM 610 O LEU A 42 4.928 -0.899 7.613 1.00 0.00 O ATOM 611 CB LEU A 42 2.667 -3.149 8.007 1.00 0.00 C ATOM 612 CG LEU A 42 1.559 -4.088 7.526 1.00 0.00 C ATOM 613 CD1 LEU A 42 0.648 -4.482 8.680 1.00 0.00 C ATOM 614 CD2 LEU A 42 0.759 -3.436 6.407 1.00 0.00 C ATOM 0 H LEU A 42 4.014 -5.026 7.101 1.00 0.00 H new ATOM 0 HA LEU A 42 3.453 -2.373 6.152 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.080 -3.543 8.935 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.226 -2.180 8.240 1.00 0.00 H new ATOM 0 HG LEU A 42 2.022 -4.994 7.135 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.133 -5.150 8.316 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.232 -4.991 9.447 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.192 -3.588 9.105 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.025 -4.117 6.076 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.308 -2.513 6.772 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.420 -3.210 5.571 1.00 0.00 H new ATOM 626 N SER A 43 5.861 -2.824 8.307 1.00 0.00 N ATOM 627 CA SER A 43 6.971 -2.173 9.006 1.00 0.00 C ATOM 628 C SER A 43 7.796 -1.269 8.093 1.00 0.00 C ATOM 629 O SER A 43 8.520 -0.396 8.572 1.00 0.00 O ATOM 630 CB SER A 43 7.877 -3.227 9.643 1.00 0.00 C ATOM 631 OG SER A 43 9.005 -2.625 10.257 1.00 0.00 O ATOM 0 H SER A 43 5.874 -3.843 8.358 1.00 0.00 H new ATOM 0 HA SER A 43 6.532 -1.539 9.777 1.00 0.00 H new ATOM 0 HB2 SER A 43 7.315 -3.795 10.385 1.00 0.00 H new ATOM 0 HB3 SER A 43 8.207 -3.935 8.883 1.00 0.00 H new ATOM 0 HG SER A 43 8.806 -2.441 11.199 1.00 0.00 H new ATOM 637 N THR A 44 7.698 -1.477 6.788 1.00 0.00 N ATOM 638 CA THR A 44 8.459 -0.664 5.836 1.00 0.00 C ATOM 639 C THR A 44 7.584 0.402 5.195 1.00 0.00 C ATOM 640 O THR A 44 8.087 1.410 4.699 1.00 0.00 O ATOM 641 CB THR A 44 9.091 -1.541 4.748 1.00 0.00 C ATOM 642 OG1 THR A 44 8.306 -1.532 3.566 1.00 0.00 O ATOM 643 CG2 THR A 44 9.263 -2.980 5.164 1.00 0.00 C ATOM 0 H THR A 44 7.108 -2.192 6.363 1.00 0.00 H new ATOM 0 HA THR A 44 9.253 -0.169 6.395 1.00 0.00 H new ATOM 0 HB THR A 44 10.075 -1.106 4.572 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.731 -2.097 2.887 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.715 -3.543 4.348 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.909 -3.031 6.041 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.290 -3.408 5.405 1.00 0.00 H new ATOM 651 N ILE A 45 6.278 0.173 5.199 1.00 0.00 N ATOM 652 CA ILE A 45 5.338 1.118 4.608 1.00 0.00 C ATOM 653 C ILE A 45 5.628 2.543 5.075 1.00 0.00 C ATOM 654 O ILE A 45 5.181 2.965 6.142 1.00 0.00 O ATOM 655 CB ILE A 45 3.878 0.748 4.943 1.00 0.00 C ATOM 656 CG1 ILE A 45 3.551 -0.643 4.397 1.00 0.00 C ATOM 657 CG2 ILE A 45 2.915 1.783 4.377 1.00 0.00 C ATOM 658 CD1 ILE A 45 3.582 -0.721 2.886 1.00 0.00 C ATOM 0 H ILE A 45 5.845 -0.657 5.604 1.00 0.00 H new ATOM 0 HA ILE A 45 5.468 1.066 3.527 1.00 0.00 H new ATOM 0 HB ILE A 45 3.763 0.736 6.027 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.262 -1.361 4.805 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.563 -0.939 4.748 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.892 1.502 4.625 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.137 2.760 4.806 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.026 1.829 3.294 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.341 -1.736 2.569 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.851 -0.028 2.471 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.577 -0.456 2.528 1.00 0.00 H new ATOM 670 N ASP A 46 6.390 3.270 4.267 1.00 0.00 N ATOM 671 CA ASP A 46 6.761 4.642 4.585 1.00 0.00 C ATOM 672 C ASP A 46 5.551 5.569 4.570 1.00 0.00 C ATOM 673 O ASP A 46 5.544 6.599 5.243 1.00 0.00 O ATOM 674 CB ASP A 46 7.810 5.148 3.593 1.00 0.00 C ATOM 675 CG ASP A 46 8.530 6.385 4.093 1.00 0.00 C ATOM 676 OD1 ASP A 46 9.493 6.236 4.874 1.00 0.00 O ATOM 677 OD2 ASP A 46 8.130 7.503 3.704 1.00 0.00 O ATOM 0 H ASP A 46 6.765 2.929 3.382 1.00 0.00 H new ATOM 0 HA ASP A 46 7.178 4.646 5.592 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.538 4.359 3.404 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.328 5.371 2.641 1.00 0.00 H new ATOM 682 N LYS A 47 4.533 5.212 3.791 1.00 0.00 N ATOM 683 CA LYS A 47 3.338 6.040 3.695 1.00 0.00 C ATOM 684 C LYS A 47 2.085 5.206 3.455 1.00 0.00 C ATOM 685 O LYS A 47 2.142 4.126 2.868 1.00 0.00 O ATOM 686 CB LYS A 47 3.502 7.060 2.571 1.00 0.00 C ATOM 687 CG LYS A 47 4.409 8.220 2.935 1.00 0.00 C ATOM 688 CD LYS A 47 4.282 9.361 1.937 1.00 0.00 C ATOM 689 CE LYS A 47 5.607 10.080 1.743 1.00 0.00 C ATOM 690 NZ LYS A 47 5.760 11.226 2.681 1.00 0.00 N ATOM 0 H LYS A 47 4.512 4.365 3.224 1.00 0.00 H new ATOM 0 HA LYS A 47 3.217 6.555 4.648 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.903 6.558 1.691 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.521 7.448 2.297 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.159 8.579 3.933 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.443 7.878 2.969 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.934 8.972 0.980 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.530 10.069 2.286 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.427 9.377 1.892 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.678 10.439 0.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.676 11.689 2.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.993 11.910 2.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.718 10.880 3.661 1.00 0.00 H new ATOM 704 N LEU A 48 0.952 5.736 3.902 1.00 0.00 N ATOM 705 CA LEU A 48 -0.331 5.075 3.736 1.00 0.00 C ATOM 706 C LEU A 48 -1.368 6.084 3.239 1.00 0.00 C ATOM 707 O LEU A 48 -1.517 7.165 3.809 1.00 0.00 O ATOM 708 CB LEU A 48 -0.755 4.411 5.058 1.00 0.00 C ATOM 709 CG LEU A 48 -2.052 4.922 5.686 1.00 0.00 C ATOM 710 CD1 LEU A 48 -3.233 4.082 5.228 1.00 0.00 C ATOM 711 CD2 LEU A 48 -1.949 4.917 7.206 1.00 0.00 C ATOM 0 H LEU A 48 0.900 6.632 4.387 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.250 4.287 2.988 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.857 3.340 4.886 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.050 4.542 5.781 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.212 5.949 5.357 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.147 4.460 5.685 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.320 4.137 4.143 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.080 3.045 5.527 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.881 5.284 7.635 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.764 3.901 7.555 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.128 5.563 7.517 1.00 0.00 H new ATOM 723 N GLN A 49 -2.065 5.737 2.163 1.00 0.00 N ATOM 724 CA GLN A 49 -3.067 6.631 1.591 1.00 0.00 C ATOM 725 C GLN A 49 -4.362 5.890 1.280 1.00 0.00 C ATOM 726 O GLN A 49 -4.359 4.688 1.023 1.00 0.00 O ATOM 727 CB GLN A 49 -2.524 7.286 0.320 1.00 0.00 C ATOM 728 CG GLN A 49 -1.342 8.207 0.569 1.00 0.00 C ATOM 729 CD GLN A 49 -0.788 8.803 -0.711 1.00 0.00 C ATOM 730 OE1 GLN A 49 -1.029 8.289 -1.804 1.00 0.00 O ATOM 731 NE2 GLN A 49 -0.039 9.893 -0.581 1.00 0.00 N ATOM 0 H GLN A 49 -1.957 4.850 1.671 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.287 7.401 2.330 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.226 6.507 -0.381 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.323 7.854 -0.156 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.648 9.012 1.238 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.554 7.652 1.078 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.135 10.285 0.344 1.00 0.00 H new ATOM 0 HE22 GLN A 49 0.362 10.338 -1.407 1.00 0.00 H new ATOM 740 N ALA A 50 -5.468 6.628 1.301 1.00 0.00 N ATOM 741 CA ALA A 50 -6.779 6.059 1.018 1.00 0.00 C ATOM 742 C ALA A 50 -7.682 7.090 0.350 1.00 0.00 C ATOM 743 O ALA A 50 -7.513 8.294 0.544 1.00 0.00 O ATOM 744 CB ALA A 50 -7.418 5.545 2.298 1.00 0.00 C ATOM 0 H ALA A 50 -5.481 7.626 1.512 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.650 5.222 0.331 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.397 5.123 2.072 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.784 4.775 2.738 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.532 6.368 3.004 1.00 0.00 H new ATOM 750 N THR A 51 -8.642 6.615 -0.435 1.00 0.00 N ATOM 751 CA THR A 51 -9.568 7.504 -1.126 1.00 0.00 C ATOM 752 C THR A 51 -10.610 8.056 -0.152 1.00 0.00 C ATOM 753 O THR A 51 -11.371 7.299 0.448 1.00 0.00 O ATOM 754 CB THR A 51 -10.263 6.761 -2.271 1.00 0.00 C ATOM 755 OG1 THR A 51 -10.856 5.563 -1.803 1.00 0.00 O ATOM 756 CG2 THR A 51 -9.328 6.402 -3.407 1.00 0.00 C ATOM 0 H THR A 51 -8.799 5.622 -0.609 1.00 0.00 H new ATOM 0 HA THR A 51 -9.000 8.338 -1.539 1.00 0.00 H new ATOM 0 HB THR A 51 -11.017 7.452 -2.650 1.00 0.00 H new ATOM 0 HG1 THR A 51 -11.775 5.744 -1.515 1.00 0.00 H new ATOM 0 HG21 THR A 51 -9.884 5.878 -4.184 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.894 7.312 -3.822 1.00 0.00 H new ATOM 0 HG23 THR A 51 -8.532 5.758 -3.033 1.00 0.00 H new ATOM 764 N PRO A 52 -10.654 9.392 0.025 1.00 0.00 N ATOM 765 CA PRO A 52 -11.607 10.036 0.939 1.00 0.00 C ATOM 766 C PRO A 52 -13.057 9.839 0.507 1.00 0.00 C ATOM 767 O PRO A 52 -13.335 9.551 -0.656 1.00 0.00 O ATOM 768 CB PRO A 52 -11.228 11.519 0.875 1.00 0.00 C ATOM 769 CG PRO A 52 -10.502 11.675 -0.416 1.00 0.00 C ATOM 770 CD PRO A 52 -9.785 10.376 -0.643 1.00 0.00 C ATOM 0 HA PRO A 52 -11.550 9.612 1.942 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -12.113 12.155 0.910 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.599 11.802 1.719 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -11.195 11.887 -1.231 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -9.799 12.507 -0.371 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.672 10.158 -1.705 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -8.784 10.388 -0.212 1.00 0.00 H new ATOM 778 N ALA A 53 -13.975 9.996 1.456 1.00 0.00 N ATOM 779 CA ALA A 53 -15.398 9.837 1.179 1.00 0.00 C ATOM 780 C ALA A 53 -15.875 10.860 0.154 1.00 0.00 C ATOM 781 O ALA A 53 -16.651 10.537 -0.744 1.00 0.00 O ATOM 782 CB ALA A 53 -16.201 9.959 2.465 1.00 0.00 C ATOM 0 H ALA A 53 -13.758 10.233 2.424 1.00 0.00 H new ATOM 0 HA ALA A 53 -15.554 8.843 0.759 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -17.262 9.838 2.244 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -15.886 9.186 3.166 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -16.032 10.940 2.908 1.00 0.00 H new ATOM 788 N SER A 54 -15.402 12.095 0.294 1.00 0.00 N ATOM 789 CA SER A 54 -15.780 13.164 -0.624 1.00 0.00 C ATOM 790 C SER A 54 -15.420 12.799 -2.059 1.00 0.00 C ATOM 791 O SER A 54 -16.054 13.259 -3.009 1.00 0.00 O ATOM 792 CB SER A 54 -15.094 14.473 -0.229 1.00 0.00 C ATOM 793 OG SER A 54 -15.566 15.555 -1.016 1.00 0.00 O ATOM 0 H SER A 54 -14.758 12.379 1.032 1.00 0.00 H new ATOM 0 HA SER A 54 -16.860 13.297 -0.562 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.277 14.679 0.826 1.00 0.00 H new ATOM 0 HB3 SER A 54 -14.016 14.373 -0.352 1.00 0.00 H new ATOM 0 HG SER A 54 -15.113 16.380 -0.743 1.00 0.00 H new ATOM 799 N SER A 55 -14.399 11.965 -2.204 1.00 0.00 N ATOM 800 CA SER A 55 -13.946 11.525 -3.510 1.00 0.00 C ATOM 801 C SER A 55 -14.739 10.315 -3.978 1.00 0.00 C ATOM 802 O SER A 55 -14.700 9.255 -3.355 1.00 0.00 O ATOM 803 CB SER A 55 -12.454 11.189 -3.469 1.00 0.00 C ATOM 804 OG SER A 55 -11.970 10.861 -4.760 1.00 0.00 O ATOM 0 H SER A 55 -13.867 11.579 -1.424 1.00 0.00 H new ATOM 0 HA SER A 55 -14.108 12.338 -4.217 1.00 0.00 H new ATOM 0 HB2 SER A 55 -11.897 12.039 -3.073 1.00 0.00 H new ATOM 0 HB3 SER A 55 -12.285 10.353 -2.790 1.00 0.00 H new ATOM 0 HG SER A 55 -11.014 10.652 -4.708 1.00 0.00 H new ATOM 810 N GLU A 56 -15.449 10.476 -5.089 1.00 0.00 N ATOM 811 CA GLU A 56 -16.240 9.391 -5.650 1.00 0.00 C ATOM 812 C GLU A 56 -15.359 8.177 -5.933 1.00 0.00 C ATOM 813 O GLU A 56 -15.853 7.061 -6.085 1.00 0.00 O ATOM 814 CB GLU A 56 -16.928 9.846 -6.937 1.00 0.00 C ATOM 815 CG GLU A 56 -17.928 10.971 -6.729 1.00 0.00 C ATOM 816 CD GLU A 56 -18.650 11.356 -8.005 1.00 0.00 C ATOM 817 OE1 GLU A 56 -18.213 10.919 -9.091 1.00 0.00 O ATOM 818 OE2 GLU A 56 -19.653 12.096 -7.920 1.00 0.00 O ATOM 0 H GLU A 56 -15.492 11.347 -5.617 1.00 0.00 H new ATOM 0 HA GLU A 56 -17.001 9.110 -4.922 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -16.169 10.173 -7.648 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -17.440 8.995 -7.386 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -18.659 10.667 -5.980 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -17.409 11.844 -6.332 1.00 0.00 H new ATOM 825 N LYS A 57 -14.051 8.408 -5.998 1.00 0.00 N ATOM 826 CA LYS A 57 -13.097 7.337 -6.262 1.00 0.00 C ATOM 827 C LYS A 57 -12.910 6.457 -5.029 1.00 0.00 C ATOM 828 O LYS A 57 -12.863 6.950 -3.903 1.00 0.00 O ATOM 829 CB LYS A 57 -11.752 7.918 -6.698 1.00 0.00 C ATOM 830 CG LYS A 57 -11.846 8.827 -7.911 1.00 0.00 C ATOM 831 CD LYS A 57 -12.380 8.082 -9.126 1.00 0.00 C ATOM 832 CE LYS A 57 -12.206 8.894 -10.400 1.00 0.00 C ATOM 833 NZ LYS A 57 -13.492 9.491 -10.856 1.00 0.00 N ATOM 0 H LYS A 57 -13.628 9.327 -5.871 1.00 0.00 H new ATOM 0 HA LYS A 57 -13.496 6.721 -7.068 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.321 8.478 -5.868 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.067 7.100 -6.920 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -12.498 9.671 -7.685 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.861 9.236 -8.138 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -11.860 7.129 -9.227 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -13.436 7.855 -8.980 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -11.478 9.687 -10.229 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.803 8.255 -11.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -13.332 10.037 -11.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -14.179 8.733 -11.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -13.864 10.121 -10.116 1.00 0.00 H new ATOM 847 N MET A 58 -12.803 5.153 -5.255 1.00 0.00 N ATOM 848 CA MET A 58 -12.618 4.195 -4.168 1.00 0.00 C ATOM 849 C MET A 58 -11.317 3.422 -4.355 1.00 0.00 C ATOM 850 O MET A 58 -11.167 2.676 -5.323 1.00 0.00 O ATOM 851 CB MET A 58 -13.796 3.221 -4.120 1.00 0.00 C ATOM 852 CG MET A 58 -15.154 3.892 -4.254 1.00 0.00 C ATOM 853 SD MET A 58 -15.878 4.320 -2.660 1.00 0.00 S ATOM 854 CE MET A 58 -15.839 2.732 -1.837 1.00 0.00 C ATOM 0 H MET A 58 -12.841 4.732 -6.183 1.00 0.00 H new ATOM 0 HA MET A 58 -12.569 4.744 -3.228 1.00 0.00 H new ATOM 0 HB2 MET A 58 -13.683 2.489 -4.920 1.00 0.00 H new ATOM 0 HB3 MET A 58 -13.764 2.673 -3.179 1.00 0.00 H new ATOM 0 HG2 MET A 58 -15.051 4.795 -4.856 1.00 0.00 H new ATOM 0 HG3 MET A 58 -15.832 3.227 -4.790 1.00 0.00 H new ATOM 0 HE1 MET A 58 -16.537 2.739 -1.000 1.00 0.00 H new ATOM 0 HE2 MET A 58 -16.124 1.950 -2.541 1.00 0.00 H new ATOM 0 HE3 MET A 58 -14.832 2.538 -1.468 1.00 0.00 H new ATOM 864 N MET A 59 -10.374 3.602 -3.431 1.00 0.00 N ATOM 865 CA MET A 59 -9.091 2.912 -3.518 1.00 0.00 C ATOM 866 C MET A 59 -8.185 3.246 -2.335 1.00 0.00 C ATOM 867 O MET A 59 -8.463 4.161 -1.559 1.00 0.00 O ATOM 868 CB MET A 59 -8.384 3.279 -4.826 1.00 0.00 C ATOM 869 CG MET A 59 -8.526 2.227 -5.914 1.00 0.00 C ATOM 870 SD MET A 59 -8.941 2.937 -7.521 1.00 0.00 S ATOM 871 CE MET A 59 -7.930 4.416 -7.508 1.00 0.00 C ATOM 0 H MET A 59 -10.474 4.214 -2.621 1.00 0.00 H new ATOM 0 HA MET A 59 -9.293 1.841 -3.495 1.00 0.00 H new ATOM 0 HB2 MET A 59 -8.785 4.224 -5.192 1.00 0.00 H new ATOM 0 HB3 MET A 59 -7.325 3.439 -4.624 1.00 0.00 H new ATOM 0 HG2 MET A 59 -7.593 1.669 -5.998 1.00 0.00 H new ATOM 0 HG3 MET A 59 -9.299 1.514 -5.626 1.00 0.00 H new ATOM 0 HE1 MET A 59 -7.673 4.690 -8.531 1.00 0.00 H new ATOM 0 HE2 MET A 59 -8.484 5.231 -7.042 1.00 0.00 H new ATOM 0 HE3 MET A 59 -7.017 4.228 -6.943 1.00 0.00 H new ATOM 881 N LEU A 60 -7.096 2.494 -2.217 1.00 0.00 N ATOM 882 CA LEU A 60 -6.121 2.688 -1.149 1.00 0.00 C ATOM 883 C LEU A 60 -4.717 2.379 -1.662 1.00 0.00 C ATOM 884 O LEU A 60 -4.507 1.374 -2.341 1.00 0.00 O ATOM 885 CB LEU A 60 -6.459 1.792 0.046 1.00 0.00 C ATOM 886 CG LEU A 60 -6.656 2.527 1.373 1.00 0.00 C ATOM 887 CD1 LEU A 60 -8.136 2.681 1.686 1.00 0.00 C ATOM 888 CD2 LEU A 60 -5.944 1.795 2.502 1.00 0.00 C ATOM 0 H LEU A 60 -6.864 1.734 -2.857 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.156 3.728 -0.824 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.368 1.236 -0.182 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.661 1.060 0.169 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.220 3.522 1.280 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -8.255 3.206 2.634 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.618 3.251 0.892 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.597 1.696 1.757 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.096 2.333 3.437 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.348 0.787 2.594 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.877 1.740 2.284 1.00 0.00 H new ATOM 900 N ARG A 61 -3.760 3.251 -1.353 1.00 0.00 N ATOM 901 CA ARG A 61 -2.387 3.056 -1.812 1.00 0.00 C ATOM 902 C ARG A 61 -1.386 3.075 -0.658 1.00 0.00 C ATOM 903 O ARG A 61 -1.421 3.957 0.198 1.00 0.00 O ATOM 904 CB ARG A 61 -2.014 4.132 -2.832 1.00 0.00 C ATOM 905 CG ARG A 61 -2.445 3.800 -4.251 1.00 0.00 C ATOM 906 CD ARG A 61 -1.865 4.781 -5.256 1.00 0.00 C ATOM 907 NE ARG A 61 -1.411 4.111 -6.474 1.00 0.00 N ATOM 908 CZ ARG A 61 -1.102 4.751 -7.599 1.00 0.00 C ATOM 909 NH1 ARG A 61 -1.196 6.073 -7.668 1.00 0.00 N ATOM 910 NH2 ARG A 61 -0.695 4.066 -8.660 1.00 0.00 N ATOM 0 H ARG A 61 -3.907 4.091 -0.793 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.340 2.072 -2.278 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.469 5.077 -2.534 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.934 4.279 -2.814 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.124 2.789 -4.502 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.533 3.814 -4.314 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.618 5.527 -5.511 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.030 5.314 -4.802 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.326 3.095 -6.460 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -1.507 6.605 -6.855 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.957 6.557 -8.534 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -0.619 3.050 -8.613 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -0.458 4.556 -9.523 1.00 0.00 H new ATOM 924 N LEU A 62 -0.487 2.093 -0.660 1.00 0.00 N ATOM 925 CA LEU A 62 0.545 1.982 0.366 1.00 0.00 C ATOM 926 C LEU A 62 1.922 2.223 -0.246 1.00 0.00 C ATOM 927 O LEU A 62 2.259 1.639 -1.276 1.00 0.00 O ATOM 928 CB LEU A 62 0.507 0.594 1.015 1.00 0.00 C ATOM 929 CG LEU A 62 -0.695 0.299 1.924 1.00 0.00 C ATOM 930 CD1 LEU A 62 -1.852 1.251 1.650 1.00 0.00 C ATOM 931 CD2 LEU A 62 -1.144 -1.145 1.746 1.00 0.00 C ATOM 0 H LEU A 62 -0.454 1.358 -1.367 1.00 0.00 H new ATOM 0 HA LEU A 62 0.354 2.736 1.130 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.528 -0.154 0.223 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.418 0.465 1.600 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.379 0.451 2.956 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.684 1.012 2.312 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.529 2.277 1.829 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.171 1.147 0.613 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.997 -1.344 2.395 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.432 -1.311 0.708 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.325 -1.815 2.007 1.00 0.00 H new ATOM 943 N ILE A 63 2.715 3.081 0.386 1.00 0.00 N ATOM 944 CA ILE A 63 4.053 3.384 -0.114 1.00 0.00 C ATOM 945 C ILE A 63 5.112 2.601 0.648 1.00 0.00 C ATOM 946 O ILE A 63 4.938 2.288 1.825 1.00 0.00 O ATOM 947 CB ILE A 63 4.386 4.886 -0.017 1.00 0.00 C ATOM 948 CG1 ILE A 63 3.115 5.742 -0.080 1.00 0.00 C ATOM 949 CG2 ILE A 63 5.351 5.281 -1.125 1.00 0.00 C ATOM 950 CD1 ILE A 63 2.240 5.458 -1.271 1.00 0.00 C ATOM 0 H ILE A 63 2.458 3.577 1.240 1.00 0.00 H new ATOM 0 HA ILE A 63 4.058 3.092 -1.164 1.00 0.00 H new ATOM 0 HB ILE A 63 4.861 5.067 0.947 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.536 5.581 0.829 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.399 6.794 -0.094 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.579 6.344 -1.047 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.271 4.704 -1.029 1.00 0.00 H new ATOM 0 HG23 ILE A 63 4.895 5.078 -2.094 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.363 6.105 -1.241 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.799 5.648 -2.187 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.923 4.415 -1.249 1.00 0.00 H new ATOM 962 N GLY A 64 6.210 2.288 -0.029 1.00 0.00 N ATOM 963 CA GLY A 64 7.286 1.544 0.600 1.00 0.00 C ATOM 964 C GLY A 64 8.596 2.307 0.593 1.00 0.00 C ATOM 965 O GLY A 64 8.956 2.927 -0.406 1.00 0.00 O ATOM 0 H GLY A 64 6.375 2.536 -1.004 1.00 0.00 H new ATOM 0 HA2 GLY A 64 7.010 1.310 1.628 1.00 0.00 H new ATOM 0 HA3 GLY A 64 7.419 0.594 0.082 1.00 0.00 H new ATOM 969 N LYS A 65 9.311 2.259 1.713 1.00 0.00 N ATOM 970 CA LYS A 65 10.590 2.951 1.838 1.00 0.00 C ATOM 971 C LYS A 65 11.539 2.561 0.708 1.00 0.00 C ATOM 972 O LYS A 65 11.582 1.403 0.290 1.00 0.00 O ATOM 973 CB LYS A 65 11.236 2.634 3.188 1.00 0.00 C ATOM 974 CG LYS A 65 10.612 3.383 4.352 1.00 0.00 C ATOM 975 CD LYS A 65 11.379 3.148 5.642 1.00 0.00 C ATOM 976 CE LYS A 65 10.795 3.953 6.792 1.00 0.00 C ATOM 977 NZ LYS A 65 10.023 3.096 7.735 1.00 0.00 N ATOM 0 H LYS A 65 9.026 1.747 2.548 1.00 0.00 H new ATOM 0 HA LYS A 65 10.398 4.022 1.773 1.00 0.00 H new ATOM 0 HB2 LYS A 65 11.161 1.563 3.374 1.00 0.00 H new ATOM 0 HB3 LYS A 65 12.298 2.876 3.139 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.591 4.450 4.130 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.578 3.063 4.479 1.00 0.00 H new ATOM 0 HD2 LYS A 65 11.357 2.087 5.891 1.00 0.00 H new ATOM 0 HD3 LYS A 65 12.425 3.421 5.500 1.00 0.00 H new ATOM 0 HE2 LYS A 65 11.600 4.452 7.331 1.00 0.00 H new ATOM 0 HE3 LYS A 65 10.145 4.733 6.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.642 3.683 8.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.239 2.639 7.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.649 2.367 8.133 1.00 0.00 H new ATOM 991 N VAL A 66 12.302 3.535 0.218 1.00 0.00 N ATOM 992 CA VAL A 66 13.253 3.294 -0.859 1.00 0.00 C ATOM 993 C VAL A 66 14.678 3.615 -0.407 1.00 0.00 C ATOM 994 O VAL A 66 14.959 3.691 0.788 1.00 0.00 O ATOM 995 CB VAL A 66 12.893 4.122 -2.120 1.00 0.00 C ATOM 996 CG1 VAL A 66 13.458 5.536 -2.041 1.00 0.00 C ATOM 997 CG2 VAL A 66 13.367 3.414 -3.384 1.00 0.00 C ATOM 0 H VAL A 66 12.279 4.499 0.551 1.00 0.00 H new ATOM 0 HA VAL A 66 13.198 2.236 -1.117 1.00 0.00 H new ATOM 0 HB VAL A 66 11.807 4.206 -2.162 1.00 0.00 H new ATOM 0 HG11 VAL A 66 13.186 6.087 -2.941 1.00 0.00 H new ATOM 0 HG12 VAL A 66 13.048 6.043 -1.167 1.00 0.00 H new ATOM 0 HG13 VAL A 66 14.544 5.490 -1.958 1.00 0.00 H new ATOM 0 HG21 VAL A 66 13.104 4.012 -4.256 1.00 0.00 H new ATOM 0 HG22 VAL A 66 14.449 3.285 -3.345 1.00 0.00 H new ATOM 0 HG23 VAL A 66 12.888 2.438 -3.456 1.00 0.00 H new ATOM 1007 N ASP A 67 15.569 3.804 -1.372 1.00 0.00 N ATOM 1008 CA ASP A 67 16.961 4.120 -1.083 1.00 0.00 C ATOM 1009 C ASP A 67 17.664 4.624 -2.340 1.00 0.00 C ATOM 1010 O ASP A 67 18.649 4.040 -2.792 1.00 0.00 O ATOM 1011 CB ASP A 67 17.685 2.889 -0.531 1.00 0.00 C ATOM 1012 CG ASP A 67 18.910 3.254 0.284 1.00 0.00 C ATOM 1013 OD1 ASP A 67 19.030 4.432 0.681 1.00 0.00 O ATOM 1014 OD2 ASP A 67 19.750 2.362 0.525 1.00 0.00 O ATOM 0 H ASP A 67 15.350 3.743 -2.366 1.00 0.00 H new ATOM 0 HA ASP A 67 16.986 4.907 -0.329 1.00 0.00 H new ATOM 0 HB2 ASP A 67 16.997 2.315 0.090 1.00 0.00 H new ATOM 0 HB3 ASP A 67 17.982 2.244 -1.358 1.00 0.00 H new ATOM 1019 N GLU A 68 17.142 5.709 -2.903 1.00 0.00 N ATOM 1020 CA GLU A 68 17.708 6.292 -4.114 1.00 0.00 C ATOM 1021 C GLU A 68 19.172 6.666 -3.915 1.00 0.00 C ATOM 1022 O GLU A 68 19.932 6.770 -4.879 1.00 0.00 O ATOM 1023 CB GLU A 68 16.907 7.525 -4.536 1.00 0.00 C ATOM 1024 CG GLU A 68 15.443 7.230 -4.819 1.00 0.00 C ATOM 1025 CD GLU A 68 14.658 8.472 -5.196 1.00 0.00 C ATOM 1026 OE1 GLU A 68 15.189 9.588 -5.016 1.00 0.00 O ATOM 1027 OE2 GLU A 68 13.513 8.329 -5.674 1.00 0.00 O ATOM 0 H GLU A 68 16.327 6.203 -2.539 1.00 0.00 H new ATOM 0 HA GLU A 68 17.652 5.542 -4.903 1.00 0.00 H new ATOM 0 HB2 GLU A 68 16.972 8.277 -3.750 1.00 0.00 H new ATOM 0 HB3 GLU A 68 17.362 7.956 -5.428 1.00 0.00 H new ATOM 0 HG2 GLU A 68 15.373 6.502 -5.627 1.00 0.00 H new ATOM 0 HG3 GLU A 68 14.992 6.773 -3.938 1.00 0.00 H new ATOM 1034 N SER A 69 19.564 6.856 -2.662 1.00 0.00 N ATOM 1035 CA SER A 69 20.941 7.209 -2.342 1.00 0.00 C ATOM 1036 C SER A 69 21.905 6.115 -2.796 1.00 0.00 C ATOM 1037 O SER A 69 23.111 6.343 -2.899 1.00 0.00 O ATOM 1038 CB SER A 69 21.092 7.443 -0.837 1.00 0.00 C ATOM 1039 OG SER A 69 20.201 8.449 -0.386 1.00 0.00 O ATOM 0 H SER A 69 18.950 6.772 -1.852 1.00 0.00 H new ATOM 0 HA SER A 69 21.186 8.128 -2.874 1.00 0.00 H new ATOM 0 HB2 SER A 69 20.899 6.514 -0.300 1.00 0.00 H new ATOM 0 HB3 SER A 69 22.118 7.734 -0.612 1.00 0.00 H new ATOM 0 HG SER A 69 20.315 8.579 0.579 1.00 0.00 H new ATOM 1045 N LYS A 70 21.368 4.927 -3.068 1.00 0.00 N ATOM 1046 CA LYS A 70 22.187 3.804 -3.509 1.00 0.00 C ATOM 1047 C LYS A 70 22.626 3.981 -4.959 1.00 0.00 C ATOM 1048 O LYS A 70 23.737 3.601 -5.332 1.00 0.00 O ATOM 1049 CB LYS A 70 21.415 2.493 -3.357 1.00 0.00 C ATOM 1050 CG LYS A 70 20.989 2.203 -1.927 1.00 0.00 C ATOM 1051 CD LYS A 70 21.244 0.752 -1.551 1.00 0.00 C ATOM 1052 CE LYS A 70 20.322 -0.191 -2.308 1.00 0.00 C ATOM 1053 NZ LYS A 70 19.961 -1.386 -1.496 1.00 0.00 N ATOM 0 H LYS A 70 20.372 4.719 -2.991 1.00 0.00 H new ATOM 0 HA LYS A 70 23.078 3.771 -2.881 1.00 0.00 H new ATOM 0 HB2 LYS A 70 20.530 2.526 -3.992 1.00 0.00 H new ATOM 0 HB3 LYS A 70 22.035 1.672 -3.717 1.00 0.00 H new ATOM 0 HG2 LYS A 70 21.532 2.857 -1.245 1.00 0.00 H new ATOM 0 HG3 LYS A 70 19.929 2.429 -1.809 1.00 0.00 H new ATOM 0 HD2 LYS A 70 22.282 0.497 -1.765 1.00 0.00 H new ATOM 0 HD3 LYS A 70 21.098 0.622 -0.479 1.00 0.00 H new ATOM 0 HE2 LYS A 70 19.415 0.341 -2.594 1.00 0.00 H new ATOM 0 HE3 LYS A 70 20.808 -0.512 -3.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 19.182 -1.897 -1.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 20.787 -2.013 -1.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 19.662 -1.083 -0.547 1.00 0.00 H new ATOM 1067 N LYS A 71 21.747 4.556 -5.774 1.00 0.00 N ATOM 1068 CA LYS A 71 22.046 4.778 -7.185 1.00 0.00 C ATOM 1069 C LYS A 71 22.281 3.452 -7.901 1.00 0.00 C ATOM 1070 O LYS A 71 23.394 2.928 -7.908 1.00 0.00 O ATOM 1071 CB LYS A 71 23.274 5.678 -7.334 1.00 0.00 C ATOM 1072 CG LYS A 71 23.125 7.027 -6.649 1.00 0.00 C ATOM 1073 CD LYS A 71 23.625 8.159 -7.532 1.00 0.00 C ATOM 1074 CE LYS A 71 23.582 9.493 -6.804 1.00 0.00 C ATOM 1075 NZ LYS A 71 23.177 10.605 -7.707 1.00 0.00 N ATOM 0 H LYS A 71 20.823 4.876 -5.483 1.00 0.00 H new ATOM 0 HA LYS A 71 21.188 5.272 -7.641 1.00 0.00 H new ATOM 0 HB2 LYS A 71 24.143 5.165 -6.922 1.00 0.00 H new ATOM 0 HB3 LYS A 71 23.471 5.838 -8.394 1.00 0.00 H new ATOM 0 HG2 LYS A 71 22.078 7.195 -6.398 1.00 0.00 H new ATOM 0 HG3 LYS A 71 23.680 7.023 -5.711 1.00 0.00 H new ATOM 0 HD2 LYS A 71 24.646 7.950 -7.851 1.00 0.00 H new ATOM 0 HD3 LYS A 71 23.015 8.215 -8.434 1.00 0.00 H new ATOM 0 HE2 LYS A 71 22.883 9.429 -5.970 1.00 0.00 H new ATOM 0 HE3 LYS A 71 24.563 9.708 -6.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 23.160 11.497 -7.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 23.858 10.683 -8.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 22.230 10.413 -8.091 1.00 0.00 H new ATOM 1089 N ARG A 72 21.223 2.913 -8.497 1.00 0.00 N ATOM 1090 CA ARG A 72 21.315 1.645 -9.211 1.00 0.00 C ATOM 1091 C ARG A 72 21.528 1.870 -10.705 1.00 0.00 C ATOM 1092 O ARG A 72 20.952 2.785 -11.291 1.00 0.00 O ATOM 1093 CB ARG A 72 20.048 0.817 -8.987 1.00 0.00 C ATOM 1094 CG ARG A 72 19.875 0.345 -7.552 1.00 0.00 C ATOM 1095 CD ARG A 72 20.942 -0.665 -7.166 1.00 0.00 C ATOM 1096 NE ARG A 72 20.686 -1.260 -5.856 1.00 0.00 N ATOM 1097 CZ ARG A 72 19.742 -2.171 -5.627 1.00 0.00 C ATOM 1098 NH1 ARG A 72 18.966 -2.594 -6.616 1.00 0.00 N ATOM 1099 NH2 ARG A 72 19.577 -2.660 -4.406 1.00 0.00 N ATOM 0 H ARG A 72 20.294 3.333 -8.500 1.00 0.00 H new ATOM 0 HA ARG A 72 22.174 1.101 -8.819 1.00 0.00 H new ATOM 0 HB2 ARG A 72 19.180 1.412 -9.272 1.00 0.00 H new ATOM 0 HB3 ARG A 72 20.070 -0.051 -9.646 1.00 0.00 H new ATOM 0 HG2 ARG A 72 19.922 1.201 -6.878 1.00 0.00 H new ATOM 0 HG3 ARG A 72 18.888 -0.102 -7.431 1.00 0.00 H new ATOM 0 HD2 ARG A 72 20.985 -1.452 -7.919 1.00 0.00 H new ATOM 0 HD3 ARG A 72 21.917 -0.177 -7.158 1.00 0.00 H new ATOM 0 HE ARG A 72 21.264 -0.960 -5.071 1.00 0.00 H new ATOM 0 HH11 ARG A 72 19.091 -2.221 -7.557 1.00 0.00 H new ATOM 0 HH12 ARG A 72 18.244 -3.292 -6.435 1.00 0.00 H new ATOM 0 HH21 ARG A 72 20.173 -2.338 -3.643 1.00 0.00 H new ATOM 0 HH22 ARG A 72 18.854 -3.358 -4.229 1.00 0.00 H new ATOM 1113 N LYS A 73 22.359 1.030 -11.313 1.00 0.00 N ATOM 1114 CA LYS A 73 22.646 1.138 -12.738 1.00 0.00 C ATOM 1115 C LYS A 73 21.662 0.309 -13.557 1.00 0.00 C ATOM 1116 O LYS A 73 21.219 -0.754 -13.124 1.00 0.00 O ATOM 1117 CB LYS A 73 24.077 0.683 -13.030 1.00 0.00 C ATOM 1118 CG LYS A 73 25.138 1.560 -12.386 1.00 0.00 C ATOM 1119 CD LYS A 73 25.503 2.736 -13.275 1.00 0.00 C ATOM 1120 CE LYS A 73 26.789 3.405 -12.816 1.00 0.00 C ATOM 1121 NZ LYS A 73 27.371 4.276 -13.875 1.00 0.00 N ATOM 0 H LYS A 73 22.845 0.267 -10.841 1.00 0.00 H new ATOM 0 HA LYS A 73 22.539 2.184 -13.024 1.00 0.00 H new ATOM 0 HB2 LYS A 73 24.202 -0.341 -12.679 1.00 0.00 H new ATOM 0 HB3 LYS A 73 24.233 0.672 -14.109 1.00 0.00 H new ATOM 0 HG2 LYS A 73 24.775 1.927 -11.426 1.00 0.00 H new ATOM 0 HG3 LYS A 73 26.029 0.966 -12.183 1.00 0.00 H new ATOM 0 HD2 LYS A 73 25.617 2.394 -14.304 1.00 0.00 H new ATOM 0 HD3 LYS A 73 24.691 3.463 -13.269 1.00 0.00 H new ATOM 0 HE2 LYS A 73 26.590 4.000 -11.925 1.00 0.00 H new ATOM 0 HE3 LYS A 73 27.515 2.642 -12.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 28.365 4.013 -14.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 26.835 4.154 -14.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 27.320 5.270 -13.574 1.00 0.00 H new ATOM 1135 N ASP A 74 21.325 0.807 -14.742 1.00 0.00 N ATOM 1136 CA ASP A 74 20.392 0.117 -15.626 1.00 0.00 C ATOM 1137 C ASP A 74 21.138 -0.781 -16.608 1.00 0.00 C ATOM 1138 O ASP A 74 22.366 -0.746 -16.688 1.00 0.00 O ATOM 1139 CB ASP A 74 19.537 1.128 -16.389 1.00 0.00 C ATOM 1140 CG ASP A 74 18.188 0.561 -16.789 1.00 0.00 C ATOM 1141 OD1 ASP A 74 17.781 -0.466 -16.208 1.00 0.00 O ATOM 1142 OD2 ASP A 74 17.539 1.146 -17.682 1.00 0.00 O ATOM 0 H ASP A 74 21.684 1.687 -15.113 1.00 0.00 H new ATOM 0 HA ASP A 74 19.742 -0.507 -15.012 1.00 0.00 H new ATOM 0 HB2 ASP A 74 19.387 2.013 -15.770 1.00 0.00 H new ATOM 0 HB3 ASP A 74 20.072 1.451 -17.282 1.00 0.00 H new ATOM 1147 N ASN A 75 20.387 -1.581 -17.356 1.00 0.00 N ATOM 1148 CA ASN A 75 20.973 -2.489 -18.335 1.00 0.00 C ATOM 1149 C ASN A 75 21.761 -1.723 -19.396 1.00 0.00 C ATOM 1150 O ASN A 75 22.613 -2.291 -20.079 1.00 0.00 O ATOM 1151 CB ASN A 75 19.882 -3.329 -19.002 1.00 0.00 C ATOM 1152 CG ASN A 75 20.446 -4.515 -19.758 1.00 0.00 C ATOM 1153 OD1 ASN A 75 21.661 -4.697 -19.833 1.00 0.00 O ATOM 1154 ND2 ASN A 75 19.564 -5.329 -20.324 1.00 0.00 N ATOM 0 H ASN A 75 19.369 -1.619 -17.303 1.00 0.00 H new ATOM 0 HA ASN A 75 21.661 -3.150 -17.808 1.00 0.00 H new ATOM 0 HB2 ASN A 75 19.185 -3.684 -18.242 1.00 0.00 H new ATOM 0 HB3 ASN A 75 19.313 -2.702 -19.688 1.00 0.00 H new ATOM 0 HD21 ASN A 75 19.884 -6.144 -20.847 1.00 0.00 H new ATOM 0 HD22 ASN A 75 18.566 -5.140 -20.236 1.00 0.00 H new ATOM 1161 N GLU A 76 21.472 -0.433 -19.530 1.00 0.00 N ATOM 1162 CA GLU A 76 22.156 0.405 -20.508 1.00 0.00 C ATOM 1163 C GLU A 76 23.456 0.975 -19.942 1.00 0.00 C ATOM 1164 O GLU A 76 24.129 1.770 -20.597 1.00 0.00 O ATOM 1165 CB GLU A 76 21.243 1.544 -20.960 1.00 0.00 C ATOM 1166 CG GLU A 76 20.050 1.077 -21.779 1.00 0.00 C ATOM 1167 CD GLU A 76 20.451 0.540 -23.141 1.00 0.00 C ATOM 1168 OE1 GLU A 76 21.584 0.828 -23.583 1.00 0.00 O ATOM 1169 OE2 GLU A 76 19.633 -0.167 -23.764 1.00 0.00 O ATOM 0 H GLU A 76 20.769 0.055 -18.974 1.00 0.00 H new ATOM 0 HA GLU A 76 22.404 -0.221 -21.365 1.00 0.00 H new ATOM 0 HB2 GLU A 76 20.883 2.081 -20.082 1.00 0.00 H new ATOM 0 HB3 GLU A 76 21.824 2.252 -21.551 1.00 0.00 H new ATOM 0 HG2 GLU A 76 19.518 0.301 -21.229 1.00 0.00 H new ATOM 0 HG3 GLU A 76 19.356 1.908 -21.910 1.00 0.00 H new ATOM 1176 N GLY A 77 23.805 0.567 -18.724 1.00 0.00 N ATOM 1177 CA GLY A 77 25.020 1.053 -18.102 1.00 0.00 C ATOM 1178 C GLY A 77 24.869 2.454 -17.539 1.00 0.00 C ATOM 1179 O GLY A 77 25.863 3.115 -17.234 1.00 0.00 O ATOM 0 H GLY A 77 23.267 -0.091 -18.159 1.00 0.00 H new ATOM 0 HA2 GLY A 77 25.310 0.373 -17.301 1.00 0.00 H new ATOM 0 HA3 GLY A 77 25.827 1.045 -18.835 1.00 0.00 H new ATOM 1183 N ASN A 78 23.628 2.910 -17.400 1.00 0.00 N ATOM 1184 CA ASN A 78 23.360 4.242 -16.868 1.00 0.00 C ATOM 1185 C ASN A 78 22.704 4.159 -15.495 1.00 0.00 C ATOM 1186 O ASN A 78 21.907 3.262 -15.229 1.00 0.00 O ATOM 1187 CB ASN A 78 22.468 5.031 -17.824 1.00 0.00 C ATOM 1188 CG ASN A 78 23.086 5.186 -19.200 1.00 0.00 C ATOM 1189 OD1 ASN A 78 24.097 5.868 -19.365 1.00 0.00 O ATOM 1190 ND2 ASN A 78 22.480 4.551 -20.195 1.00 0.00 N ATOM 0 H ASN A 78 22.794 2.378 -17.648 1.00 0.00 H new ATOM 0 HA ASN A 78 24.314 4.759 -16.765 1.00 0.00 H new ATOM 0 HB2 ASN A 78 21.505 4.528 -17.916 1.00 0.00 H new ATOM 0 HB3 ASN A 78 22.273 6.018 -17.403 1.00 0.00 H new ATOM 0 HD21 ASN A 78 22.850 4.617 -21.143 1.00 0.00 H new ATOM 0 HD22 ASN A 78 21.644 3.996 -20.012 1.00 0.00 H new ATOM 1197 N GLU A 79 23.044 5.105 -14.628 1.00 0.00 N ATOM 1198 CA GLU A 79 22.490 5.143 -13.279 1.00 0.00 C ATOM 1199 C GLU A 79 21.017 5.537 -13.303 1.00 0.00 C ATOM 1200 O GLU A 79 20.579 6.293 -14.170 1.00 0.00 O ATOM 1201 CB GLU A 79 23.278 6.122 -12.407 1.00 0.00 C ATOM 1202 CG GLU A 79 24.723 5.708 -12.178 1.00 0.00 C ATOM 1203 CD GLU A 79 25.474 6.678 -11.286 1.00 0.00 C ATOM 1204 OE1 GLU A 79 24.945 7.779 -11.028 1.00 0.00 O ATOM 1205 OE2 GLU A 79 26.591 6.335 -10.845 1.00 0.00 O ATOM 0 H GLU A 79 23.701 5.857 -14.835 1.00 0.00 H new ATOM 0 HA GLU A 79 22.571 4.142 -12.854 1.00 0.00 H new ATOM 0 HB2 GLU A 79 23.261 7.106 -12.875 1.00 0.00 H new ATOM 0 HB3 GLU A 79 22.779 6.218 -11.442 1.00 0.00 H new ATOM 0 HG2 GLU A 79 24.746 4.715 -11.729 1.00 0.00 H new ATOM 0 HG3 GLU A 79 25.233 5.635 -13.139 1.00 0.00 H new ATOM 1212 N VAL A 80 20.259 5.022 -12.340 1.00 0.00 N ATOM 1213 CA VAL A 80 18.835 5.321 -12.245 1.00 0.00 C ATOM 1214 C VAL A 80 18.442 5.660 -10.813 1.00 0.00 C ATOM 1215 O VAL A 80 19.134 5.288 -9.866 1.00 0.00 O ATOM 1216 CB VAL A 80 17.963 4.142 -12.739 1.00 0.00 C ATOM 1217 CG1 VAL A 80 18.552 3.533 -14.002 1.00 0.00 C ATOM 1218 CG2 VAL A 80 17.801 3.079 -11.653 1.00 0.00 C ATOM 0 H VAL A 80 20.608 4.396 -11.614 1.00 0.00 H new ATOM 0 HA VAL A 80 18.656 6.183 -12.888 1.00 0.00 H new ATOM 0 HB VAL A 80 16.973 4.534 -12.973 1.00 0.00 H new ATOM 0 HG11 VAL A 80 17.925 2.706 -14.334 1.00 0.00 H new ATOM 0 HG12 VAL A 80 18.597 4.291 -14.784 1.00 0.00 H new ATOM 0 HG13 VAL A 80 19.557 3.166 -13.794 1.00 0.00 H new ATOM 0 HG21 VAL A 80 17.183 2.264 -12.031 1.00 0.00 H new ATOM 0 HG22 VAL A 80 18.781 2.692 -11.373 1.00 0.00 H new ATOM 0 HG23 VAL A 80 17.323 3.522 -10.779 1.00 0.00 H new ATOM 1228 N VAL A 81 17.321 6.352 -10.664 1.00 0.00 N ATOM 1229 CA VAL A 81 16.822 6.719 -9.349 1.00 0.00 C ATOM 1230 C VAL A 81 15.709 5.761 -8.933 1.00 0.00 C ATOM 1231 O VAL A 81 14.565 5.907 -9.365 1.00 0.00 O ATOM 1232 CB VAL A 81 16.286 8.161 -9.329 1.00 0.00 C ATOM 1233 CG1 VAL A 81 15.905 8.569 -7.914 1.00 0.00 C ATOM 1234 CG2 VAL A 81 17.317 9.120 -9.909 1.00 0.00 C ATOM 0 H VAL A 81 16.740 6.670 -11.440 1.00 0.00 H new ATOM 0 HA VAL A 81 17.654 6.654 -8.648 1.00 0.00 H new ATOM 0 HB VAL A 81 15.391 8.206 -9.949 1.00 0.00 H new ATOM 0 HG11 VAL A 81 15.528 9.592 -7.919 1.00 0.00 H new ATOM 0 HG12 VAL A 81 15.132 7.899 -7.538 1.00 0.00 H new ATOM 0 HG13 VAL A 81 16.782 8.509 -7.269 1.00 0.00 H new ATOM 0 HG21 VAL A 81 16.922 10.136 -9.887 1.00 0.00 H new ATOM 0 HG22 VAL A 81 18.231 9.073 -9.317 1.00 0.00 H new ATOM 0 HG23 VAL A 81 17.537 8.838 -10.939 1.00 0.00 H new ATOM 1244 N PRO A 82 16.033 4.752 -8.101 1.00 0.00 N ATOM 1245 CA PRO A 82 15.061 3.758 -7.648 1.00 0.00 C ATOM 1246 C PRO A 82 13.695 4.361 -7.327 1.00 0.00 C ATOM 1247 O PRO A 82 13.597 5.507 -6.891 1.00 0.00 O ATOM 1248 CB PRO A 82 15.710 3.201 -6.386 1.00 0.00 C ATOM 1249 CG PRO A 82 17.175 3.298 -6.642 1.00 0.00 C ATOM 1250 CD PRO A 82 17.377 4.488 -7.551 1.00 0.00 C ATOM 0 HA PRO A 82 14.855 3.011 -8.415 1.00 0.00 H new ATOM 0 HB2 PRO A 82 15.423 3.776 -5.506 1.00 0.00 H new ATOM 0 HB3 PRO A 82 15.406 2.170 -6.206 1.00 0.00 H new ATOM 0 HG2 PRO A 82 17.724 3.426 -5.709 1.00 0.00 H new ATOM 0 HG3 PRO A 82 17.548 2.386 -7.109 1.00 0.00 H new ATOM 0 HD2 PRO A 82 17.759 5.349 -7.002 1.00 0.00 H new ATOM 0 HD3 PRO A 82 18.095 4.269 -8.341 1.00 0.00 H new ATOM 1258 N LYS A 83 12.645 3.577 -7.550 1.00 0.00 N ATOM 1259 CA LYS A 83 11.282 4.025 -7.289 1.00 0.00 C ATOM 1260 C LYS A 83 10.636 3.196 -6.183 1.00 0.00 C ATOM 1261 O LYS A 83 10.277 2.038 -6.395 1.00 0.00 O ATOM 1262 CB LYS A 83 10.442 3.932 -8.565 1.00 0.00 C ATOM 1263 CG LYS A 83 10.854 4.929 -9.637 1.00 0.00 C ATOM 1264 CD LYS A 83 9.976 6.169 -9.612 1.00 0.00 C ATOM 1265 CE LYS A 83 10.648 7.313 -8.868 1.00 0.00 C ATOM 1266 NZ LYS A 83 10.154 7.433 -7.468 1.00 0.00 N ATOM 0 H LYS A 83 12.713 2.626 -7.912 1.00 0.00 H new ATOM 0 HA LYS A 83 11.325 5.064 -6.961 1.00 0.00 H new ATOM 0 HB2 LYS A 83 10.520 2.923 -8.969 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.394 4.094 -8.313 1.00 0.00 H new ATOM 0 HG2 LYS A 83 11.895 5.216 -9.488 1.00 0.00 H new ATOM 0 HG3 LYS A 83 10.791 4.457 -10.618 1.00 0.00 H new ATOM 0 HD2 LYS A 83 9.753 6.479 -10.633 1.00 0.00 H new ATOM 0 HD3 LYS A 83 9.025 5.933 -9.136 1.00 0.00 H new ATOM 0 HE2 LYS A 83 11.727 7.156 -8.860 1.00 0.00 H new ATOM 0 HE3 LYS A 83 10.466 8.248 -9.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 10.950 7.653 -6.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 9.448 8.195 -7.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 9.718 6.535 -7.175 1.00 0.00 H new ATOM 1280 N PRO A 84 10.468 3.790 -4.988 1.00 0.00 N ATOM 1281 CA PRO A 84 9.852 3.129 -3.835 1.00 0.00 C ATOM 1282 C PRO A 84 8.666 2.251 -4.227 1.00 0.00 C ATOM 1283 O PRO A 84 7.885 2.605 -5.111 1.00 0.00 O ATOM 1284 CB PRO A 84 9.380 4.309 -2.963 1.00 0.00 C ATOM 1285 CG PRO A 84 9.733 5.544 -3.732 1.00 0.00 C ATOM 1286 CD PRO A 84 10.846 5.159 -4.645 1.00 0.00 C ATOM 0 HA PRO A 84 10.547 2.456 -3.333 1.00 0.00 H new ATOM 0 HB2 PRO A 84 8.307 4.255 -2.778 1.00 0.00 H new ATOM 0 HB3 PRO A 84 9.872 4.299 -1.990 1.00 0.00 H new ATOM 0 HG2 PRO A 84 8.875 5.910 -4.296 1.00 0.00 H new ATOM 0 HG3 PRO A 84 10.039 6.347 -3.061 1.00 0.00 H new ATOM 0 HD2 PRO A 84 10.901 5.803 -5.522 1.00 0.00 H new ATOM 0 HD3 PRO A 84 11.818 5.207 -4.153 1.00 0.00 H new ATOM 1294 N GLN A 85 8.536 1.106 -3.567 1.00 0.00 N ATOM 1295 CA GLN A 85 7.446 0.180 -3.850 1.00 0.00 C ATOM 1296 C GLN A 85 6.102 0.799 -3.484 1.00 0.00 C ATOM 1297 O GLN A 85 5.904 1.257 -2.359 1.00 0.00 O ATOM 1298 CB GLN A 85 7.643 -1.129 -3.084 1.00 0.00 C ATOM 1299 CG GLN A 85 8.552 -2.117 -3.793 1.00 0.00 C ATOM 1300 CD GLN A 85 8.086 -2.429 -5.202 1.00 0.00 C ATOM 1301 OE1 GLN A 85 6.921 -2.754 -5.425 1.00 0.00 O ATOM 1302 NE2 GLN A 85 8.999 -2.334 -6.163 1.00 0.00 N ATOM 0 H GLN A 85 9.172 0.797 -2.832 1.00 0.00 H new ATOM 0 HA GLN A 85 7.452 -0.032 -4.919 1.00 0.00 H new ATOM 0 HB2 GLN A 85 8.059 -0.906 -2.101 1.00 0.00 H new ATOM 0 HB3 GLN A 85 6.671 -1.595 -2.921 1.00 0.00 H new ATOM 0 HG2 GLN A 85 9.564 -1.713 -3.830 1.00 0.00 H new ATOM 0 HG3 GLN A 85 8.599 -3.041 -3.216 1.00 0.00 H new ATOM 0 HE21 GLN A 85 9.955 -2.061 -5.933 1.00 0.00 H new ATOM 0 HE22 GLN A 85 8.744 -2.534 -7.130 1.00 0.00 H new ATOM 1311 N ARG A 86 5.180 0.809 -4.441 1.00 0.00 N ATOM 1312 CA ARG A 86 3.854 1.371 -4.219 1.00 0.00 C ATOM 1313 C ARG A 86 2.769 0.331 -4.487 1.00 0.00 C ATOM 1314 O ARG A 86 2.661 -0.193 -5.594 1.00 0.00 O ATOM 1315 CB ARG A 86 3.639 2.591 -5.116 1.00 0.00 C ATOM 1316 CG ARG A 86 4.591 3.738 -4.821 1.00 0.00 C ATOM 1317 CD ARG A 86 4.229 4.983 -5.615 1.00 0.00 C ATOM 1318 NE ARG A 86 5.256 6.015 -5.515 1.00 0.00 N ATOM 1319 CZ ARG A 86 5.049 7.298 -5.804 1.00 0.00 C ATOM 1320 NH1 ARG A 86 3.855 7.710 -6.213 1.00 0.00 N ATOM 1321 NH2 ARG A 86 6.040 8.172 -5.684 1.00 0.00 N ATOM 0 H ARG A 86 5.327 0.434 -5.378 1.00 0.00 H new ATOM 0 HA ARG A 86 3.787 1.678 -3.175 1.00 0.00 H new ATOM 0 HB2 ARG A 86 3.756 2.291 -6.157 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.614 2.942 -4.999 1.00 0.00 H new ATOM 0 HG2 ARG A 86 4.568 3.966 -3.755 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.611 3.436 -5.061 1.00 0.00 H new ATOM 0 HD2 ARG A 86 4.085 4.716 -6.662 1.00 0.00 H new ATOM 0 HD3 ARG A 86 3.280 5.380 -5.254 1.00 0.00 H new ATOM 0 HE ARG A 86 6.187 5.737 -5.205 1.00 0.00 H new ATOM 0 HH11 ARG A 86 3.090 7.042 -6.307 1.00 0.00 H new ATOM 0 HH12 ARG A 86 3.703 8.694 -6.433 1.00 0.00 H new ATOM 0 HH21 ARG A 86 6.959 7.861 -5.371 1.00 0.00 H new ATOM 0 HH22 ARG A 86 5.882 9.155 -5.905 1.00 0.00 H new ATOM 1335 N HIS A 87 1.968 0.043 -3.467 1.00 0.00 N ATOM 1336 CA HIS A 87 0.891 -0.931 -3.595 1.00 0.00 C ATOM 1337 C HIS A 87 -0.440 -0.229 -3.841 1.00 0.00 C ATOM 1338 O HIS A 87 -0.728 0.805 -3.238 1.00 0.00 O ATOM 1339 CB HIS A 87 0.804 -1.795 -2.337 1.00 0.00 C ATOM 1340 CG HIS A 87 2.075 -2.523 -2.024 1.00 0.00 C ATOM 1341 ND1 HIS A 87 2.602 -3.504 -2.839 1.00 0.00 N ATOM 1342 CD2 HIS A 87 2.927 -2.408 -0.978 1.00 0.00 C ATOM 1343 CE1 HIS A 87 3.722 -3.960 -2.307 1.00 0.00 C ATOM 1344 NE2 HIS A 87 3.942 -3.310 -1.179 1.00 0.00 N ATOM 0 H HIS A 87 2.044 0.470 -2.544 1.00 0.00 H new ATOM 0 HA HIS A 87 1.109 -1.573 -4.449 1.00 0.00 H new ATOM 0 HB2 HIS A 87 0.538 -1.163 -1.489 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -0.001 -2.520 -2.459 1.00 0.00 H new ATOM 0 HD2 HIS A 87 2.827 -1.732 -0.141 1.00 0.00 H new ATOM 0 HE1 HIS A 87 4.351 -4.733 -2.724 1.00 0.00 H new ATOM 0 HE2 HIS A 87 4.738 -3.455 -0.557 1.00 0.00 H new ATOM 1353 N MET A 88 -1.248 -0.792 -4.733 1.00 0.00 N ATOM 1354 CA MET A 88 -2.545 -0.210 -5.060 1.00 0.00 C ATOM 1355 C MET A 88 -3.678 -1.195 -4.787 1.00 0.00 C ATOM 1356 O MET A 88 -3.856 -2.170 -5.518 1.00 0.00 O ATOM 1357 CB MET A 88 -2.576 0.226 -6.525 1.00 0.00 C ATOM 1358 CG MET A 88 -3.771 1.099 -6.874 1.00 0.00 C ATOM 1359 SD MET A 88 -5.057 0.198 -7.759 1.00 0.00 S ATOM 1360 CE MET A 88 -5.928 1.544 -8.556 1.00 0.00 C ATOM 0 H MET A 88 -1.029 -1.649 -5.241 1.00 0.00 H new ATOM 0 HA MET A 88 -2.690 0.662 -4.422 1.00 0.00 H new ATOM 0 HB2 MET A 88 -1.660 0.770 -6.753 1.00 0.00 H new ATOM 0 HB3 MET A 88 -2.586 -0.660 -7.159 1.00 0.00 H new ATOM 0 HG2 MET A 88 -4.190 1.517 -5.959 1.00 0.00 H new ATOM 0 HG3 MET A 88 -3.437 1.939 -7.483 1.00 0.00 H new ATOM 0 HE1 MET A 88 -6.940 1.225 -8.807 1.00 0.00 H new ATOM 0 HE2 MET A 88 -5.974 2.398 -7.881 1.00 0.00 H new ATOM 0 HE3 MET A 88 -5.401 1.829 -9.467 1.00 0.00 H new ATOM 1370 N PHE A 89 -4.445 -0.928 -3.736 1.00 0.00 N ATOM 1371 CA PHE A 89 -5.569 -1.780 -3.371 1.00 0.00 C ATOM 1372 C PHE A 89 -6.883 -1.022 -3.521 1.00 0.00 C ATOM 1373 O PHE A 89 -7.050 0.059 -2.959 1.00 0.00 O ATOM 1374 CB PHE A 89 -5.415 -2.277 -1.932 1.00 0.00 C ATOM 1375 CG PHE A 89 -4.177 -3.099 -1.709 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -4.172 -4.458 -1.980 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -3.017 -2.512 -1.227 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -3.036 -5.216 -1.774 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -1.878 -3.264 -1.020 1.00 0.00 C ATOM 1380 CZ PHE A 89 -1.887 -4.618 -1.294 1.00 0.00 C ATOM 0 H PHE A 89 -4.308 -0.126 -3.121 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.581 -2.639 -4.042 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.397 -1.419 -1.260 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -6.289 -2.872 -1.666 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -5.067 -4.930 -2.357 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.004 -1.454 -1.011 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -3.046 -6.275 -1.988 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.981 -2.794 -0.644 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.997 -5.208 -1.133 1.00 0.00 H new ATOM 1390 N SER A 90 -7.809 -1.586 -4.287 1.00 0.00 N ATOM 1391 CA SER A 90 -9.102 -0.946 -4.510 1.00 0.00 C ATOM 1392 C SER A 90 -10.151 -1.471 -3.535 1.00 0.00 C ATOM 1393 O SER A 90 -10.246 -2.673 -3.293 1.00 0.00 O ATOM 1394 CB SER A 90 -9.566 -1.168 -5.953 1.00 0.00 C ATOM 1395 OG SER A 90 -8.561 -1.804 -6.722 1.00 0.00 O ATOM 0 H SER A 90 -7.691 -2.481 -4.763 1.00 0.00 H new ATOM 0 HA SER A 90 -8.981 0.123 -4.337 1.00 0.00 H new ATOM 0 HB2 SER A 90 -10.470 -1.776 -5.957 1.00 0.00 H new ATOM 0 HB3 SER A 90 -9.823 -0.211 -6.406 1.00 0.00 H new ATOM 0 HG SER A 90 -8.884 -1.935 -7.638 1.00 0.00 H new ATOM 1401 N PHE A 91 -10.939 -0.558 -2.978 1.00 0.00 N ATOM 1402 CA PHE A 91 -11.985 -0.924 -2.029 1.00 0.00 C ATOM 1403 C PHE A 91 -13.344 -0.418 -2.498 1.00 0.00 C ATOM 1404 O PHE A 91 -13.428 0.508 -3.305 1.00 0.00 O ATOM 1405 CB PHE A 91 -11.671 -0.352 -0.645 1.00 0.00 C ATOM 1406 CG PHE A 91 -10.477 -0.985 0.013 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -9.202 -0.498 -0.221 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -10.633 -2.064 0.867 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -8.103 -1.077 0.385 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -9.538 -2.648 1.475 1.00 0.00 C ATOM 1411 CZ PHE A 91 -8.271 -2.153 1.234 1.00 0.00 C ATOM 0 H PHE A 91 -10.873 0.442 -3.167 1.00 0.00 H new ATOM 0 HA PHE A 91 -12.020 -2.012 -1.968 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -11.499 0.721 -0.735 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -12.541 -0.482 -0.002 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -9.065 0.343 -0.884 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -11.622 -2.453 1.060 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -7.114 -0.688 0.195 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -9.673 -3.490 2.138 1.00 0.00 H new ATOM 0 HZ PHE A 91 -7.414 -2.607 1.709 1.00 0.00 H new ATOM 1421 N ASN A 92 -14.408 -1.031 -1.991 1.00 0.00 N ATOM 1422 CA ASN A 92 -15.764 -0.638 -2.359 1.00 0.00 C ATOM 1423 C ASN A 92 -16.528 -0.084 -1.160 1.00 0.00 C ATOM 1424 O ASN A 92 -17.523 0.623 -1.321 1.00 0.00 O ATOM 1425 CB ASN A 92 -16.521 -1.826 -2.951 1.00 0.00 C ATOM 1426 CG ASN A 92 -15.854 -2.375 -4.197 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -15.032 -1.705 -4.823 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -16.205 -3.601 -4.564 1.00 0.00 N ATOM 0 H ASN A 92 -14.358 -1.802 -1.324 1.00 0.00 H new ATOM 0 HA ASN A 92 -15.687 0.150 -3.108 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -16.594 -2.616 -2.203 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -17.539 -1.521 -3.192 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -15.789 -4.023 -5.394 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -16.890 -4.121 -4.016 1.00 0.00 H new ATOM 1435 N ASN A 93 -16.059 -0.404 0.041 1.00 0.00 N ATOM 1436 CA ASN A 93 -16.700 0.067 1.262 1.00 0.00 C ATOM 1437 C ASN A 93 -15.858 1.145 1.934 1.00 0.00 C ATOM 1438 O ASN A 93 -14.746 0.881 2.392 1.00 0.00 O ATOM 1439 CB ASN A 93 -16.928 -1.097 2.226 1.00 0.00 C ATOM 1440 CG ASN A 93 -17.932 -2.101 1.693 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -17.867 -3.329 2.196 1.00 0.00 O flip ATOM 1442 ND2 ASN A 93 -18.757 -1.777 0.840 1.00 0.00 N flip ATOM 0 H ASN A 93 -15.237 -0.988 0.195 1.00 0.00 H new ATOM 0 HA ASN A 93 -17.664 0.499 0.995 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -15.980 -1.600 2.414 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -17.279 -0.710 3.183 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -18.771 -0.822 0.481 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -19.427 -2.463 0.492 1.00 0.00 H new ATOM 1449 N ARG A 94 -16.393 2.361 1.988 1.00 0.00 N ATOM 1450 CA ARG A 94 -15.687 3.479 2.604 1.00 0.00 C ATOM 1451 C ARG A 94 -15.341 3.175 4.056 1.00 0.00 C ATOM 1452 O ARG A 94 -14.352 3.677 4.589 1.00 0.00 O ATOM 1453 CB ARG A 94 -16.530 4.752 2.521 1.00 0.00 C ATOM 1454 CG ARG A 94 -16.901 5.143 1.099 1.00 0.00 C ATOM 1455 CD ARG A 94 -16.721 6.633 0.865 1.00 0.00 C ATOM 1456 NE ARG A 94 -17.271 7.058 -0.420 1.00 0.00 N ATOM 1457 CZ ARG A 94 -18.573 7.173 -0.667 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -19.463 6.898 0.279 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -18.988 7.564 -1.864 1.00 0.00 N ATOM 0 H ARG A 94 -17.312 2.597 1.613 1.00 0.00 H new ATOM 0 HA ARG A 94 -14.757 3.633 2.056 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -17.442 4.612 3.101 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -15.981 5.572 2.983 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -16.283 4.586 0.395 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -17.937 4.866 0.903 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -17.207 7.187 1.668 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -15.660 6.880 0.904 1.00 0.00 H new ATOM 0 HE ARG A 94 -16.618 7.280 -1.172 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -19.150 6.597 1.202 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -20.460 6.988 0.083 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -18.309 7.776 -2.595 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -19.986 7.652 -2.054 1.00 0.00 H new ATOM 1473 N THR A 95 -16.165 2.354 4.687 1.00 0.00 N ATOM 1474 CA THR A 95 -15.969 1.975 6.064 1.00 0.00 C ATOM 1475 C THR A 95 -14.867 0.931 6.201 1.00 0.00 C ATOM 1476 O THR A 95 -13.905 1.124 6.944 1.00 0.00 O ATOM 1477 CB THR A 95 -17.278 1.437 6.607 1.00 0.00 C ATOM 1478 OG1 THR A 95 -18.356 1.770 5.750 1.00 0.00 O ATOM 1479 CG2 THR A 95 -17.611 1.960 7.977 1.00 0.00 C ATOM 0 H THR A 95 -16.987 1.935 4.253 1.00 0.00 H new ATOM 0 HA THR A 95 -15.658 2.850 6.635 1.00 0.00 H new ATOM 0 HB THR A 95 -17.141 0.357 6.667 1.00 0.00 H new ATOM 0 HG1 THR A 95 -19.190 1.411 6.119 1.00 0.00 H new ATOM 0 HG21 THR A 95 -18.559 1.537 8.308 1.00 0.00 H new ATOM 0 HG22 THR A 95 -16.824 1.677 8.676 1.00 0.00 H new ATOM 0 HG23 THR A 95 -17.691 3.046 7.942 1.00 0.00 H new ATOM 1487 N VAL A 96 -15.008 -0.177 5.478 1.00 0.00 N ATOM 1488 CA VAL A 96 -14.019 -1.245 5.524 1.00 0.00 C ATOM 1489 C VAL A 96 -12.640 -0.717 5.153 1.00 0.00 C ATOM 1490 O VAL A 96 -11.650 -1.007 5.824 1.00 0.00 O ATOM 1491 CB VAL A 96 -14.391 -2.404 4.577 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -13.396 -3.548 4.710 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -15.807 -2.884 4.857 1.00 0.00 C ATOM 0 H VAL A 96 -15.796 -0.356 4.856 1.00 0.00 H new ATOM 0 HA VAL A 96 -14.002 -1.623 6.546 1.00 0.00 H new ATOM 0 HB VAL A 96 -14.349 -2.038 3.551 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -13.677 -4.355 4.033 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -12.397 -3.193 4.456 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -13.400 -3.917 5.736 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -16.054 -3.702 4.180 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -15.876 -3.232 5.888 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -16.507 -2.062 4.704 1.00 0.00 H new ATOM 1503 N MET A 97 -12.586 0.077 4.090 1.00 0.00 N ATOM 1504 CA MET A 97 -11.329 0.659 3.647 1.00 0.00 C ATOM 1505 C MET A 97 -10.786 1.598 4.711 1.00 0.00 C ATOM 1506 O MET A 97 -9.577 1.673 4.934 1.00 0.00 O ATOM 1507 CB MET A 97 -11.523 1.415 2.332 1.00 0.00 C ATOM 1508 CG MET A 97 -12.546 2.533 2.421 1.00 0.00 C ATOM 1509 SD MET A 97 -11.787 4.156 2.621 1.00 0.00 S ATOM 1510 CE MET A 97 -11.055 4.387 1.004 1.00 0.00 C ATOM 0 H MET A 97 -13.395 0.330 3.523 1.00 0.00 H new ATOM 0 HA MET A 97 -10.613 -0.146 3.483 1.00 0.00 H new ATOM 0 HB2 MET A 97 -10.567 1.833 2.018 1.00 0.00 H new ATOM 0 HB3 MET A 97 -11.832 0.711 1.560 1.00 0.00 H new ATOM 0 HG2 MET A 97 -13.159 2.532 1.520 1.00 0.00 H new ATOM 0 HG3 MET A 97 -13.214 2.343 3.261 1.00 0.00 H new ATOM 0 HE1 MET A 97 -10.248 5.117 1.071 1.00 0.00 H new ATOM 0 HE2 MET A 97 -10.657 3.438 0.646 1.00 0.00 H new ATOM 0 HE3 MET A 97 -11.814 4.748 0.309 1.00 0.00 H new ATOM 1520 N ASP A 98 -11.692 2.311 5.376 1.00 0.00 N ATOM 1521 CA ASP A 98 -11.304 3.241 6.427 1.00 0.00 C ATOM 1522 C ASP A 98 -10.631 2.499 7.571 1.00 0.00 C ATOM 1523 O ASP A 98 -9.721 3.020 8.215 1.00 0.00 O ATOM 1524 CB ASP A 98 -12.523 4.010 6.942 1.00 0.00 C ATOM 1525 CG ASP A 98 -12.157 5.034 7.998 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -11.756 6.155 7.624 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -12.271 4.714 9.200 1.00 0.00 O ATOM 0 H ASP A 98 -12.696 2.261 5.205 1.00 0.00 H new ATOM 0 HA ASP A 98 -10.595 3.955 6.007 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -13.012 4.512 6.107 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -13.244 3.306 7.357 1.00 0.00 H new ATOM 1532 N ASN A 99 -11.075 1.273 7.807 1.00 0.00 N ATOM 1533 CA ASN A 99 -10.505 0.450 8.865 1.00 0.00 C ATOM 1534 C ASN A 99 -9.067 0.082 8.521 1.00 0.00 C ATOM 1535 O ASN A 99 -8.212 -0.024 9.400 1.00 0.00 O ATOM 1536 CB ASN A 99 -11.338 -0.816 9.071 1.00 0.00 C ATOM 1537 CG ASN A 99 -12.776 -0.505 9.442 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -13.048 0.452 10.165 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -13.703 -1.315 8.947 1.00 0.00 N ATOM 0 H ASN A 99 -11.827 0.826 7.282 1.00 0.00 H new ATOM 0 HA ASN A 99 -10.514 1.022 9.793 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -11.321 -1.412 8.158 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -10.886 -1.422 9.856 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -14.687 -1.156 9.162 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -13.431 -2.097 8.351 1.00 0.00 H new ATOM 1546 N ILE A 100 -8.808 -0.094 7.229 1.00 0.00 N ATOM 1547 CA ILE A 100 -7.474 -0.435 6.751 1.00 0.00 C ATOM 1548 C ILE A 100 -6.526 0.745 6.918 1.00 0.00 C ATOM 1549 O ILE A 100 -5.423 0.600 7.441 1.00 0.00 O ATOM 1550 CB ILE A 100 -7.500 -0.849 5.266 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -8.510 -1.978 5.046 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -6.113 -1.268 4.802 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -8.060 -3.309 5.604 1.00 0.00 C ATOM 0 H ILE A 100 -9.508 -0.005 6.492 1.00 0.00 H new ATOM 0 HA ILE A 100 -7.122 -1.276 7.348 1.00 0.00 H new ATOM 0 HB ILE A 100 -7.810 0.011 4.672 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.458 -1.702 5.508 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -8.695 -2.085 3.977 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -6.152 -1.556 3.752 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -5.421 -0.434 4.924 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -5.770 -2.114 5.398 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -8.825 -4.061 5.412 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -7.128 -3.608 5.125 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.902 -3.218 6.679 1.00 0.00 H new ATOM 1565 N LYS A 101 -6.971 1.914 6.470 1.00 0.00 N ATOM 1566 CA LYS A 101 -6.167 3.123 6.567 1.00 0.00 C ATOM 1567 C LYS A 101 -5.927 3.500 8.026 1.00 0.00 C ATOM 1568 O LYS A 101 -4.921 4.123 8.361 1.00 0.00 O ATOM 1569 CB LYS A 101 -6.845 4.279 5.818 1.00 0.00 C ATOM 1570 CG LYS A 101 -7.958 4.965 6.598 1.00 0.00 C ATOM 1571 CD LYS A 101 -8.422 6.235 5.903 1.00 0.00 C ATOM 1572 CE LYS A 101 -9.593 5.967 4.971 1.00 0.00 C ATOM 1573 NZ LYS A 101 -9.780 7.064 3.980 1.00 0.00 N ATOM 0 H LYS A 101 -7.884 2.048 6.036 1.00 0.00 H new ATOM 0 HA LYS A 101 -5.200 2.928 6.103 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -6.089 5.020 5.558 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -7.254 3.899 4.882 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -8.800 4.282 6.710 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -7.606 5.205 7.601 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -8.712 6.974 6.650 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -7.595 6.663 5.336 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -9.429 5.027 4.444 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -10.504 5.849 5.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -10.691 7.535 4.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -9.009 7.755 4.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -9.770 6.668 3.018 1.00 0.00 H new ATOM 1587 N MET A 102 -6.859 3.111 8.885 1.00 0.00 N ATOM 1588 CA MET A 102 -6.754 3.398 10.308 1.00 0.00 C ATOM 1589 C MET A 102 -5.792 2.428 10.976 1.00 0.00 C ATOM 1590 O MET A 102 -4.989 2.816 11.825 1.00 0.00 O ATOM 1591 CB MET A 102 -8.145 3.340 10.963 1.00 0.00 C ATOM 1592 CG MET A 102 -8.226 2.455 12.199 1.00 0.00 C ATOM 1593 SD MET A 102 -9.766 2.672 13.111 1.00 0.00 S ATOM 1594 CE MET A 102 -10.871 1.625 12.167 1.00 0.00 C ATOM 0 H MET A 102 -7.698 2.595 8.620 1.00 0.00 H new ATOM 0 HA MET A 102 -6.358 4.405 10.438 1.00 0.00 H new ATOM 0 HB2 MET A 102 -8.446 4.351 11.236 1.00 0.00 H new ATOM 0 HB3 MET A 102 -8.864 2.981 10.227 1.00 0.00 H new ATOM 0 HG2 MET A 102 -8.130 1.411 11.900 1.00 0.00 H new ATOM 0 HG3 MET A 102 -7.385 2.678 12.856 1.00 0.00 H new ATOM 0 HE1 MET A 102 -11.728 1.353 12.782 1.00 0.00 H new ATOM 0 HE2 MET A 102 -11.215 2.162 11.283 1.00 0.00 H new ATOM 0 HE3 MET A 102 -10.343 0.722 11.860 1.00 0.00 H new ATOM 1604 N THR A 103 -5.878 1.162 10.584 1.00 0.00 N ATOM 1605 CA THR A 103 -5.015 0.135 11.141 1.00 0.00 C ATOM 1606 C THR A 103 -3.618 0.216 10.532 1.00 0.00 C ATOM 1607 O THR A 103 -2.627 -0.112 11.185 1.00 0.00 O ATOM 1608 CB THR A 103 -5.642 -1.241 10.919 1.00 0.00 C ATOM 1609 OG1 THR A 103 -6.071 -1.798 12.148 1.00 0.00 O ATOM 1610 CG2 THR A 103 -4.705 -2.225 10.276 1.00 0.00 C ATOM 0 H THR A 103 -6.537 0.825 9.883 1.00 0.00 H new ATOM 0 HA THR A 103 -4.912 0.297 12.214 1.00 0.00 H new ATOM 0 HB THR A 103 -6.482 -1.071 10.246 1.00 0.00 H new ATOM 0 HG1 THR A 103 -6.828 -2.400 11.988 1.00 0.00 H new ATOM 0 HG21 THR A 103 -5.213 -3.181 10.147 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.392 -1.847 9.303 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.830 -2.362 10.911 1.00 0.00 H new ATOM 1618 N LEU A 104 -3.544 0.656 9.282 1.00 0.00 N ATOM 1619 CA LEU A 104 -2.268 0.781 8.597 1.00 0.00 C ATOM 1620 C LEU A 104 -1.457 1.936 9.171 1.00 0.00 C ATOM 1621 O LEU A 104 -0.240 1.838 9.317 1.00 0.00 O ATOM 1622 CB LEU A 104 -2.485 0.988 7.096 1.00 0.00 C ATOM 1623 CG LEU A 104 -2.578 -0.299 6.274 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -2.952 0.014 4.834 1.00 0.00 C ATOM 1625 CD2 LEU A 104 -1.263 -1.064 6.332 1.00 0.00 C ATOM 0 H LEU A 104 -4.353 0.931 8.724 1.00 0.00 H new ATOM 0 HA LEU A 104 -1.710 -0.143 8.749 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -3.401 1.561 6.952 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.666 1.593 6.706 1.00 0.00 H new ATOM 0 HG LEU A 104 -3.360 -0.926 6.702 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -3.014 -0.913 4.264 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -3.918 0.519 4.810 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.193 0.661 4.393 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -1.347 -1.977 5.742 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -0.463 -0.443 5.929 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -1.037 -1.320 7.367 1.00 0.00 H new ATOM 1637 N GLN A 105 -2.141 3.025 9.501 1.00 0.00 N ATOM 1638 CA GLN A 105 -1.485 4.197 10.064 1.00 0.00 C ATOM 1639 C GLN A 105 -0.962 3.897 11.466 1.00 0.00 C ATOM 1640 O GLN A 105 0.030 4.474 11.909 1.00 0.00 O ATOM 1641 CB GLN A 105 -2.459 5.387 10.072 1.00 0.00 C ATOM 1642 CG GLN A 105 -2.641 6.040 11.431 1.00 0.00 C ATOM 1643 CD GLN A 105 -3.671 7.151 11.411 1.00 0.00 C ATOM 1644 OE1 GLN A 105 -4.871 6.899 11.295 1.00 0.00 O ATOM 1645 NE2 GLN A 105 -3.208 8.390 11.525 1.00 0.00 N ATOM 0 H GLN A 105 -3.150 3.120 9.388 1.00 0.00 H new ATOM 0 HA GLN A 105 -0.629 4.460 9.443 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -2.102 6.138 9.367 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -3.431 5.048 9.712 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -2.942 5.284 12.156 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -1.685 6.442 11.768 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -2.206 8.553 11.619 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -3.855 9.179 11.519 1.00 0.00 H new ATOM 1654 N GLN A 106 -1.638 2.987 12.153 1.00 0.00 N ATOM 1655 CA GLN A 106 -1.244 2.601 13.503 1.00 0.00 C ATOM 1656 C GLN A 106 0.042 1.782 13.476 1.00 0.00 C ATOM 1657 O GLN A 106 0.861 1.865 14.389 1.00 0.00 O ATOM 1658 CB GLN A 106 -2.360 1.799 14.174 1.00 0.00 C ATOM 1659 CG GLN A 106 -3.546 2.649 14.605 1.00 0.00 C ATOM 1660 CD GLN A 106 -4.675 1.822 15.188 1.00 0.00 C ATOM 1661 OE1 GLN A 106 -5.518 1.299 14.459 1.00 0.00 O ATOM 1662 NE2 GLN A 106 -4.697 1.699 16.510 1.00 0.00 N ATOM 0 H GLN A 106 -2.462 2.501 11.799 1.00 0.00 H new ATOM 0 HA GLN A 106 -1.066 3.509 14.078 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -2.707 1.029 13.485 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -1.954 1.287 15.047 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -3.216 3.379 15.344 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -3.917 3.210 13.747 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -3.978 2.150 17.076 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -5.433 1.154 16.959 1.00 0.00 H new ATOM 1671 N ILE A 107 0.211 0.992 12.419 1.00 0.00 N ATOM 1672 CA ILE A 107 1.397 0.158 12.273 1.00 0.00 C ATOM 1673 C ILE A 107 2.631 1.007 11.993 1.00 0.00 C ATOM 1674 O ILE A 107 3.667 0.841 12.636 1.00 0.00 O ATOM 1675 CB ILE A 107 1.219 -0.882 11.148 1.00 0.00 C ATOM 1676 CG1 ILE A 107 -0.034 -1.720 11.402 1.00 0.00 C ATOM 1677 CG2 ILE A 107 2.447 -1.775 11.044 1.00 0.00 C ATOM 1678 CD1 ILE A 107 -0.680 -2.241 10.138 1.00 0.00 C ATOM 0 H ILE A 107 -0.458 0.913 11.653 1.00 0.00 H new ATOM 0 HA ILE A 107 1.536 -0.370 13.216 1.00 0.00 H new ATOM 0 HB ILE A 107 1.102 -0.355 10.201 1.00 0.00 H new ATOM 0 HG12 ILE A 107 0.227 -2.564 12.041 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -0.759 -1.118 11.949 1.00 0.00 H new ATOM 0 HG21 ILE A 107 2.302 -2.502 10.245 1.00 0.00 H new ATOM 0 HG22 ILE A 107 3.323 -1.165 10.825 1.00 0.00 H new ATOM 0 HG23 ILE A 107 2.597 -2.299 11.988 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -1.563 -2.826 10.395 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -0.972 -1.402 9.506 1.00 0.00 H new ATOM 0 HD13 ILE A 107 0.029 -2.871 9.600 1.00 0.00 H new ATOM 1690 N ILE A 108 2.512 1.932 11.045 1.00 0.00 N ATOM 1691 CA ILE A 108 3.625 2.816 10.709 1.00 0.00 C ATOM 1692 C ILE A 108 4.050 3.571 11.944 1.00 0.00 C ATOM 1693 O ILE A 108 5.177 3.452 12.422 1.00 0.00 O ATOM 1694 CB ILE A 108 3.255 3.850 9.624 1.00 0.00 C ATOM 1695 CG1 ILE A 108 2.374 3.227 8.547 1.00 0.00 C ATOM 1696 CG2 ILE A 108 4.512 4.447 9.009 1.00 0.00 C ATOM 1697 CD1 ILE A 108 1.421 4.214 7.914 1.00 0.00 C ATOM 0 H ILE A 108 1.664 2.089 10.500 1.00 0.00 H new ATOM 0 HA ILE A 108 4.427 2.187 10.324 1.00 0.00 H new ATOM 0 HB ILE A 108 2.686 4.649 10.099 1.00 0.00 H new ATOM 0 HG12 ILE A 108 3.008 2.796 7.772 1.00 0.00 H new ATOM 0 HG13 ILE A 108 1.802 2.408 8.983 1.00 0.00 H new ATOM 0 HG21 ILE A 108 4.234 5.174 8.246 1.00 0.00 H new ATOM 0 HG22 ILE A 108 5.097 4.941 9.785 1.00 0.00 H new ATOM 0 HG23 ILE A 108 5.107 3.654 8.555 1.00 0.00 H new ATOM 0 HD11 ILE A 108 0.823 3.708 7.156 1.00 0.00 H new ATOM 0 HD12 ILE A 108 0.763 4.627 8.679 1.00 0.00 H new ATOM 0 HD13 ILE A 108 1.988 5.021 7.449 1.00 0.00 H new ATOM 1709 N SER A 109 3.109 4.337 12.458 1.00 0.00 N ATOM 1710 CA SER A 109 3.331 5.126 13.663 1.00 0.00 C ATOM 1711 C SER A 109 3.920 4.254 14.768 1.00 0.00 C ATOM 1712 O SER A 109 4.658 4.735 15.629 1.00 0.00 O ATOM 1713 CB SER A 109 2.022 5.760 14.137 1.00 0.00 C ATOM 1714 OG SER A 109 1.429 6.536 13.109 1.00 0.00 O ATOM 0 H SER A 109 2.175 4.433 12.060 1.00 0.00 H new ATOM 0 HA SER A 109 4.039 5.921 13.427 1.00 0.00 H new ATOM 0 HB2 SER A 109 1.330 4.980 14.453 1.00 0.00 H new ATOM 0 HB3 SER A 109 2.213 6.388 15.007 1.00 0.00 H new ATOM 0 HG SER A 109 0.869 5.961 12.547 1.00 0.00 H new ATOM 1720 N ARG A 110 3.592 2.967 14.727 1.00 0.00 N ATOM 1721 CA ARG A 110 4.092 2.018 15.714 1.00 0.00 C ATOM 1722 C ARG A 110 5.602 1.870 15.604 1.00 0.00 C ATOM 1723 O ARG A 110 6.297 1.693 16.604 1.00 0.00 O ATOM 1724 CB ARG A 110 3.416 0.657 15.526 1.00 0.00 C ATOM 1725 CG ARG A 110 2.596 0.210 16.724 1.00 0.00 C ATOM 1726 CD ARG A 110 2.230 -1.262 16.626 1.00 0.00 C ATOM 1727 NE ARG A 110 1.353 -1.680 17.716 1.00 0.00 N ATOM 1728 CZ ARG A 110 1.169 -2.951 18.073 1.00 0.00 C ATOM 1729 NH1 ARG A 110 1.799 -3.927 17.431 1.00 0.00 N ATOM 1730 NH2 ARG A 110 0.353 -3.245 19.076 1.00 0.00 N ATOM 0 H ARG A 110 2.982 2.557 14.020 1.00 0.00 H new ATOM 0 HA ARG A 110 3.855 2.400 16.707 1.00 0.00 H new ATOM 0 HB2 ARG A 110 2.769 0.701 14.650 1.00 0.00 H new ATOM 0 HB3 ARG A 110 4.180 -0.093 15.320 1.00 0.00 H new ATOM 0 HG2 ARG A 110 3.161 0.386 17.640 1.00 0.00 H new ATOM 0 HG3 ARG A 110 1.688 0.809 16.789 1.00 0.00 H new ATOM 0 HD2 ARG A 110 1.738 -1.451 15.672 1.00 0.00 H new ATOM 0 HD3 ARG A 110 3.139 -1.864 16.641 1.00 0.00 H new ATOM 0 HE ARG A 110 0.852 -0.958 18.234 1.00 0.00 H new ATOM 0 HH11 ARG A 110 2.429 -3.707 16.659 1.00 0.00 H new ATOM 0 HH12 ARG A 110 1.654 -4.897 17.709 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -0.133 -2.499 19.573 1.00 0.00 H new ATOM 0 HH22 ARG A 110 0.211 -4.217 19.350 1.00 0.00 H new ATOM 1744 N TYR A 111 6.099 1.942 14.378 1.00 0.00 N ATOM 1745 CA TYR A 111 7.529 1.817 14.124 1.00 0.00 C ATOM 1746 C TYR A 111 8.216 3.176 14.183 1.00 0.00 C ATOM 1747 O TYR A 111 9.381 3.277 14.568 1.00 0.00 O ATOM 1748 CB TYR A 111 7.773 1.158 12.766 1.00 0.00 C ATOM 1749 CG TYR A 111 7.487 -0.327 12.760 1.00 0.00 C ATOM 1750 CD1 TYR A 111 8.436 -1.238 13.205 1.00 0.00 C ATOM 1751 CD2 TYR A 111 6.265 -0.817 12.314 1.00 0.00 C ATOM 1752 CE1 TYR A 111 8.176 -2.596 13.204 1.00 0.00 C ATOM 1753 CE2 TYR A 111 5.998 -2.172 12.313 1.00 0.00 C ATOM 1754 CZ TYR A 111 6.956 -3.058 12.758 1.00 0.00 C ATOM 1755 OH TYR A 111 6.693 -4.409 12.758 1.00 0.00 O ATOM 0 H TYR A 111 5.533 2.087 13.542 1.00 0.00 H new ATOM 0 HA TYR A 111 7.957 1.186 14.903 1.00 0.00 H new ATOM 0 HB2 TYR A 111 7.148 1.644 12.017 1.00 0.00 H new ATOM 0 HB3 TYR A 111 8.810 1.322 12.472 1.00 0.00 H new ATOM 0 HD1 TYR A 111 9.392 -0.880 13.557 1.00 0.00 H new ATOM 0 HD2 TYR A 111 5.512 -0.127 11.963 1.00 0.00 H new ATOM 0 HE1 TYR A 111 8.925 -3.292 13.551 1.00 0.00 H new ATOM 0 HE2 TYR A 111 5.043 -2.536 11.965 1.00 0.00 H new ATOM 0 HH TYR A 111 5.918 -4.591 13.329 1.00 0.00 H new ATOM 1765 N LYS A 112 7.485 4.222 13.809 1.00 0.00 N ATOM 1766 CA LYS A 112 8.026 5.575 13.829 1.00 0.00 C ATOM 1767 C LYS A 112 8.351 6.002 15.258 1.00 0.00 C ATOM 1768 O LYS A 112 9.310 6.735 15.496 1.00 0.00 O ATOM 1769 CB LYS A 112 7.034 6.558 13.206 1.00 0.00 C ATOM 1770 CG LYS A 112 7.242 6.768 11.715 1.00 0.00 C ATOM 1771 CD LYS A 112 6.141 6.110 10.901 1.00 0.00 C ATOM 1772 CE LYS A 112 4.795 6.772 11.146 1.00 0.00 C ATOM 1773 NZ LYS A 112 4.505 7.830 10.140 1.00 0.00 N ATOM 0 H LYS A 112 6.519 4.158 13.489 1.00 0.00 H new ATOM 0 HA LYS A 112 8.945 5.582 13.243 1.00 0.00 H new ATOM 0 HB2 LYS A 112 6.020 6.195 13.376 1.00 0.00 H new ATOM 0 HB3 LYS A 112 7.118 7.518 13.715 1.00 0.00 H new ATOM 0 HG2 LYS A 112 7.268 7.836 11.497 1.00 0.00 H new ATOM 0 HG3 LYS A 112 8.208 6.359 11.420 1.00 0.00 H new ATOM 0 HD2 LYS A 112 6.388 6.167 9.841 1.00 0.00 H new ATOM 0 HD3 LYS A 112 6.080 5.053 11.158 1.00 0.00 H new ATOM 0 HE2 LYS A 112 4.009 6.018 11.116 1.00 0.00 H new ATOM 0 HE3 LYS A 112 4.781 7.208 12.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 3.578 8.257 10.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 5.241 8.563 10.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 4.493 7.410 9.189 1.00 0.00 H new