USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 760 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 56 ASN :FLIP amide:sc= -0.148 F(o=-1.7,f=0.49) USER MOD Set 1.2: A 100 GLN : amide:sc= 0.641 K(o=0.49,f=-4.9!) USER MOD Set 2.1: A 64 HIS : no HD1:sc= -1.87 K(o=-1.9,f=-2.8!) USER MOD Set 2.2: A 92 MET CE :methyl -167:sc= 0 (180deg=0) USER MOD Set 3.1: A 76 SER OG : rot 137:sc= 0.154 USER MOD Set 3.2: A 83 CYS SG : rot 180:sc= 0.147 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.122 USER MOD Single : A 27 SER OG : rot -150:sc= -0.0685 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN :FLIP amide:sc= -0.819 F(o=-1.8!,f=-0.82) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS : no HD1:sc= -0.0717 K(o=-0.072,f=-0.74) USER MOD Single : A 43 SER OG : rot 170:sc=-0.000909 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.253 K(o=-0.25,f=-0.96) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.27 X(o=-0.27,f=-0.0078) USER MOD Single : A 52 ASN : amide:sc= -2.05 X(o=-2.1,f=-1.7!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot -96:sc= -0.0285 USER MOD Single : A 62 LYS NZ :NH3+ 166:sc= -0.0179 (180deg=-0.197) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= -0.0351 USER MOD Single : A 73 TYR OH : rot 150:sc= -0.213 USER MOD Single : A 77 THR OG1 : rot -160:sc= -1.73 USER MOD Single : A 80 ASN : amide:sc= -0.143 K(o=-0.14,f=-0.64) USER MOD Single : A 88 THR OG1 : rot -130:sc= -2.51 USER MOD Single : A 93 ASN : amide:sc= -0.032 K(o=-0.032,f=-0.77) USER MOD Single : A 94 ASN : amide:sc= -0.347 K(o=-0.35,f=-1.2) USER MOD Single : A 95 MET CE :methyl -163:sc= -0.153 (180deg=-0.592) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 HIS : no HD1:sc= -0.131 X(o=-0.13,f=-0.0058) USER MOD Single : A 107 ASN : amide:sc= -0.636 X(o=-0.64,f=-0.28) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 26 -9.662 -17.622 -8.990 1.00 0.00 N ATOM 2 CA THR A 26 -8.749 -16.693 -8.335 1.00 0.00 C ATOM 3 C THR A 26 -9.496 -15.461 -7.837 1.00 0.00 C ATOM 4 O THR A 26 -10.592 -15.155 -8.309 1.00 0.00 O ATOM 5 CB THR A 26 -7.638 -16.273 -9.299 1.00 0.00 C ATOM 6 OG1 THR A 26 -6.876 -15.211 -8.755 1.00 0.00 O ATOM 7 CG2 THR A 26 -8.154 -15.824 -10.649 1.00 0.00 C ATOM 0 HA THR A 26 -8.305 -17.200 -7.478 1.00 0.00 H new ATOM 0 HB THR A 26 -7.027 -17.165 -9.440 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.170 -14.958 -9.386 1.00 0.00 H new ATOM 0 HG21 THR A 26 -7.314 -15.540 -11.283 1.00 0.00 H new ATOM 0 HG22 THR A 26 -8.704 -16.640 -11.118 1.00 0.00 H new ATOM 0 HG23 THR A 26 -8.816 -14.968 -10.519 1.00 0.00 H new ATOM 15 N SER A 27 -8.900 -14.757 -6.881 1.00 0.00 N ATOM 16 CA SER A 27 -9.512 -13.558 -6.321 1.00 0.00 C ATOM 17 C SER A 27 -8.724 -12.314 -6.712 1.00 0.00 C ATOM 18 O SER A 27 -7.498 -12.348 -6.816 1.00 0.00 O ATOM 19 CB SER A 27 -9.598 -13.667 -4.798 1.00 0.00 C ATOM 20 OG SER A 27 -10.854 -14.183 -4.393 1.00 0.00 O ATOM 0 H SER A 27 -7.994 -14.996 -6.478 1.00 0.00 H new ATOM 0 HA SER A 27 -10.520 -13.470 -6.727 1.00 0.00 H new ATOM 0 HB2 SER A 27 -8.801 -14.313 -4.431 1.00 0.00 H new ATOM 0 HB3 SER A 27 -9.444 -12.685 -4.351 1.00 0.00 H new ATOM 0 HG SER A 27 -11.087 -13.823 -3.512 1.00 0.00 H new ATOM 25 N LYS A 28 -9.436 -11.213 -6.926 1.00 0.00 N ATOM 26 CA LYS A 28 -8.801 -9.957 -7.303 1.00 0.00 C ATOM 27 C LYS A 28 -9.532 -8.772 -6.682 1.00 0.00 C ATOM 28 O LYS A 28 -10.751 -8.648 -6.803 1.00 0.00 O ATOM 29 CB LYS A 28 -8.769 -9.812 -8.826 1.00 0.00 C ATOM 30 CG LYS A 28 -10.138 -9.914 -9.477 1.00 0.00 C ATOM 31 CD LYS A 28 -10.090 -9.505 -10.941 1.00 0.00 C ATOM 32 CE LYS A 28 -11.482 -9.348 -11.515 1.00 0.00 C ATOM 33 NZ LYS A 28 -11.514 -9.627 -12.980 1.00 0.00 N ATOM 0 H LYS A 28 -10.452 -11.165 -6.845 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.778 -9.968 -6.927 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -8.326 -8.850 -9.081 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -8.120 -10.583 -9.242 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -10.506 -10.937 -9.396 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -10.844 -9.278 -8.943 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.545 -8.566 -11.041 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.541 -10.254 -11.512 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -12.165 -10.025 -11.002 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -11.839 -8.335 -11.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -12.484 -9.509 -13.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.882 -8.965 -13.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.198 -10.602 -13.155 1.00 0.00 H new ATOM 47 N GLN A 29 -8.781 -7.902 -6.016 1.00 0.00 N ATOM 48 CA GLN A 29 -9.360 -6.728 -5.376 1.00 0.00 C ATOM 49 C GLN A 29 -8.546 -5.481 -5.688 1.00 0.00 C ATOM 50 O GLN A 29 -7.320 -5.534 -5.785 1.00 0.00 O ATOM 51 CB GLN A 29 -9.453 -6.933 -3.862 1.00 0.00 C ATOM 52 CG GLN A 29 -10.186 -8.204 -3.466 1.00 0.00 C ATOM 53 CD GLN A 29 -9.890 -8.626 -2.040 1.00 0.00 C ATOM 54 OE1 GLN A 29 -8.743 -9.262 -1.837 1.00 0.00 O flip ATOM 55 NE2 GLN A 29 -10.686 -8.384 -1.132 1.00 0.00 N flip ATOM 0 H GLN A 29 -7.771 -7.988 -5.906 1.00 0.00 H new ATOM 0 HA GLN A 29 -10.365 -6.590 -5.774 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -8.447 -6.958 -3.444 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -9.961 -6.077 -3.418 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -11.259 -8.051 -3.581 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -9.904 -9.009 -4.145 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -11.556 -7.892 -1.334 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -10.475 -8.675 -0.178 1.00 0.00 H new ATOM 64 N GLU A 30 -9.234 -4.366 -5.854 1.00 0.00 N ATOM 65 CA GLU A 30 -8.577 -3.106 -6.170 1.00 0.00 C ATOM 66 C GLU A 30 -9.080 -1.982 -5.269 1.00 0.00 C ATOM 67 O GLU A 30 -10.241 -1.580 -5.348 1.00 0.00 O ATOM 68 CB GLU A 30 -8.796 -2.763 -7.644 1.00 0.00 C ATOM 69 CG GLU A 30 -10.194 -2.258 -7.961 1.00 0.00 C ATOM 70 CD GLU A 30 -10.613 -2.548 -9.392 1.00 0.00 C ATOM 71 OE1 GLU A 30 -10.332 -3.666 -9.873 1.00 0.00 O ATOM 72 OE2 GLU A 30 -11.219 -1.660 -10.029 1.00 0.00 O ATOM 0 H GLU A 30 -10.249 -4.305 -5.776 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.508 -3.216 -5.989 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.071 -2.005 -7.941 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -8.596 -3.649 -8.246 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.906 -2.720 -7.278 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -10.236 -1.183 -7.786 1.00 0.00 H new ATOM 79 N LEU A 31 -8.198 -1.476 -4.416 1.00 0.00 N ATOM 80 CA LEU A 31 -8.544 -0.397 -3.501 1.00 0.00 C ATOM 81 C LEU A 31 -8.315 0.962 -4.161 1.00 0.00 C ATOM 82 O LEU A 31 -7.206 1.267 -4.600 1.00 0.00 O ATOM 83 CB LEU A 31 -7.721 -0.504 -2.216 1.00 0.00 C ATOM 84 CG LEU A 31 -7.643 -1.910 -1.620 1.00 0.00 C ATOM 85 CD1 LEU A 31 -6.225 -2.223 -1.169 1.00 0.00 C ATOM 86 CD2 LEU A 31 -8.617 -2.051 -0.459 1.00 0.00 C ATOM 0 H LEU A 31 -7.233 -1.798 -4.339 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.601 -0.487 -3.250 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.709 -0.154 -2.419 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.147 0.168 -1.471 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.922 -2.627 -2.393 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.191 -3.228 -0.748 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.550 -2.164 -2.023 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.916 -1.502 -0.412 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -8.548 -3.058 -0.047 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -8.369 -1.324 0.315 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.633 -1.872 -0.812 1.00 0.00 H new ATOM 98 N ILE A 32 -9.370 1.769 -4.230 1.00 0.00 N ATOM 99 CA ILE A 32 -9.280 3.087 -4.833 1.00 0.00 C ATOM 100 C ILE A 32 -8.907 4.141 -3.797 1.00 0.00 C ATOM 101 O ILE A 32 -9.743 4.560 -2.997 1.00 0.00 O ATOM 102 CB ILE A 32 -10.607 3.489 -5.506 1.00 0.00 C ATOM 103 CG1 ILE A 32 -11.108 2.368 -6.419 1.00 0.00 C ATOM 104 CG2 ILE A 32 -10.437 4.783 -6.297 1.00 0.00 C ATOM 105 CD1 ILE A 32 -12.181 1.508 -5.785 1.00 0.00 C ATOM 0 H ILE A 32 -10.296 1.529 -3.875 1.00 0.00 H new ATOM 0 HA ILE A 32 -8.499 3.035 -5.591 1.00 0.00 H new ATOM 0 HB ILE A 32 -11.349 3.656 -4.725 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -11.499 2.806 -7.337 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -10.266 1.736 -6.701 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -11.384 5.051 -6.765 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -10.126 5.582 -5.624 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -9.679 4.642 -7.067 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -12.489 0.734 -6.488 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -11.787 1.042 -4.882 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -13.040 2.128 -5.528 1.00 0.00 H new ATOM 117 N LEU A 33 -7.648 4.563 -3.815 1.00 0.00 N ATOM 118 CA LEU A 33 -7.169 5.570 -2.876 1.00 0.00 C ATOM 119 C LEU A 33 -7.229 6.961 -3.495 1.00 0.00 C ATOM 120 O LEU A 33 -7.139 7.123 -4.704 1.00 0.00 O ATOM 121 CB LEU A 33 -5.741 5.243 -2.438 1.00 0.00 C ATOM 122 CG LEU A 33 -5.633 4.219 -1.308 1.00 0.00 C ATOM 123 CD1 LEU A 33 -5.021 2.918 -1.806 1.00 0.00 C ATOM 124 CD2 LEU A 33 -4.809 4.776 -0.157 1.00 0.00 C ATOM 0 H LEU A 33 -6.942 4.224 -4.468 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.818 5.560 -2.000 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.188 4.870 -3.300 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.254 6.165 -2.121 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.641 4.010 -0.950 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.956 2.208 -0.982 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.646 2.501 -2.596 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.022 3.112 -2.197 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.744 4.032 0.637 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.807 5.018 -0.511 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.285 5.678 0.228 1.00 0.00 H new ATOM 136 N VAL A 34 -7.372 7.965 -2.635 1.00 0.00 N ATOM 137 CA VAL A 34 -7.448 9.356 -3.086 1.00 0.00 C ATOM 138 C VAL A 34 -8.753 9.625 -3.804 1.00 0.00 C ATOM 139 O VAL A 34 -9.144 8.881 -4.711 1.00 0.00 O ATOM 140 CB VAL A 34 -6.269 9.719 -4.007 1.00 0.00 C ATOM 141 CG1 VAL A 34 -6.236 11.221 -4.263 1.00 0.00 C ATOM 142 CG2 VAL A 34 -4.951 9.239 -3.412 1.00 0.00 C ATOM 0 H VAL A 34 -7.438 7.845 -1.624 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.396 9.981 -2.195 1.00 0.00 H new ATOM 0 HB VAL A 34 -6.410 9.213 -4.962 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.397 11.460 -4.916 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.166 11.529 -4.740 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.122 11.749 -3.316 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.132 9.506 -4.079 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.797 9.711 -2.441 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.980 8.156 -3.289 1.00 0.00 H new ATOM 152 N LEU A 35 -9.435 10.692 -3.401 1.00 0.00 N ATOM 153 CA LEU A 35 -10.708 11.068 -4.003 1.00 0.00 C ATOM 154 C LEU A 35 -10.573 12.351 -4.804 1.00 0.00 C ATOM 155 O LEU A 35 -10.657 12.347 -6.038 1.00 0.00 O ATOM 156 CB LEU A 35 -11.764 11.231 -2.909 1.00 0.00 C ATOM 157 CG LEU A 35 -13.112 10.575 -3.203 1.00 0.00 C ATOM 158 CD1 LEU A 35 -13.131 9.142 -2.709 1.00 0.00 C ATOM 159 CD2 LEU A 35 -14.241 11.369 -2.570 1.00 0.00 C ATOM 0 H LEU A 35 -9.124 11.315 -2.655 1.00 0.00 H new ATOM 0 HA LEU A 35 -11.018 10.278 -4.687 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -11.370 10.815 -1.982 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -11.926 12.295 -2.738 1.00 0.00 H new ATOM 0 HG LEU A 35 -13.258 10.567 -4.283 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -14.100 8.694 -2.929 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -12.347 8.574 -3.210 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -12.960 9.126 -1.633 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -15.193 10.886 -2.790 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -14.096 11.410 -1.490 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -14.245 12.381 -2.974 1.00 0.00 H new ATOM 171 N LYS A 36 -10.369 13.469 -4.100 1.00 0.00 N ATOM 172 CA LYS A 36 -10.227 14.763 -4.751 1.00 0.00 C ATOM 173 C LYS A 36 -9.384 15.703 -3.895 1.00 0.00 C ATOM 174 O LYS A 36 -9.900 16.397 -3.009 1.00 0.00 O ATOM 175 CB LYS A 36 -11.600 15.380 -5.010 1.00 0.00 C ATOM 176 CG LYS A 36 -12.036 15.296 -6.464 1.00 0.00 C ATOM 177 CD LYS A 36 -13.392 15.954 -6.683 1.00 0.00 C ATOM 178 CE LYS A 36 -13.408 16.800 -7.945 1.00 0.00 C ATOM 179 NZ LYS A 36 -12.743 18.117 -7.735 1.00 0.00 N ATOM 0 H LYS A 36 -10.300 13.498 -3.083 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.722 14.614 -5.705 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -12.339 14.877 -4.387 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.584 16.426 -4.703 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.291 15.779 -7.096 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.085 14.251 -6.770 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -14.163 15.186 -6.750 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -13.637 16.578 -5.823 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -12.905 16.263 -8.749 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -14.438 16.959 -8.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -12.774 18.666 -8.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -13.238 18.640 -6.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.753 17.965 -7.456 1.00 0.00 H new ATOM 193 N GLY A 37 -8.079 15.729 -4.154 1.00 0.00 N ATOM 194 CA GLY A 37 -7.186 16.586 -3.402 1.00 0.00 C ATOM 195 C GLY A 37 -6.648 17.742 -4.231 1.00 0.00 C ATOM 196 O GLY A 37 -6.760 17.729 -5.458 1.00 0.00 O ATOM 0 H GLY A 37 -7.625 15.168 -4.875 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.713 16.981 -2.534 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.351 15.994 -3.026 1.00 0.00 H new ATOM 200 N GLU A 38 -6.067 18.725 -3.567 1.00 0.00 N ATOM 201 CA GLU A 38 -5.511 19.893 -4.251 1.00 0.00 C ATOM 202 C GLU A 38 -4.829 20.837 -3.264 1.00 0.00 C ATOM 203 O GLU A 38 -4.893 20.637 -2.052 1.00 0.00 O ATOM 204 CB GLU A 38 -6.612 20.636 -5.007 1.00 0.00 C ATOM 205 CG GLU A 38 -6.156 21.205 -6.342 1.00 0.00 C ATOM 206 CD GLU A 38 -6.649 22.616 -6.574 1.00 0.00 C ATOM 207 OE1 GLU A 38 -6.527 23.452 -5.650 1.00 0.00 O ATOM 208 OE2 GLU A 38 -7.158 22.902 -7.680 1.00 0.00 O ATOM 0 H GLU A 38 -5.965 18.743 -2.552 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.762 19.542 -4.961 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.447 19.956 -5.177 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.985 21.449 -4.383 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.067 21.193 -6.384 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.513 20.563 -7.147 1.00 0.00 H new ATOM 215 N LEU A 39 -4.174 21.864 -3.791 1.00 0.00 N ATOM 216 CA LEU A 39 -3.478 22.842 -2.964 1.00 0.00 C ATOM 217 C LEU A 39 -2.255 22.225 -2.304 1.00 0.00 C ATOM 218 O LEU A 39 -1.122 22.593 -2.607 1.00 0.00 O ATOM 219 CB LEU A 39 -4.422 23.410 -1.901 1.00 0.00 C ATOM 220 CG LEU A 39 -5.798 23.832 -2.410 1.00 0.00 C ATOM 221 CD1 LEU A 39 -6.867 23.536 -1.369 1.00 0.00 C ATOM 222 CD2 LEU A 39 -5.804 25.305 -2.783 1.00 0.00 C ATOM 0 H LEU A 39 -4.110 22.042 -4.793 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.144 23.654 -3.610 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -4.555 22.662 -1.120 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.944 24.273 -1.437 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.024 23.254 -3.306 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.841 23.844 -1.750 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -6.882 22.467 -1.156 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.645 24.085 -0.454 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.794 25.585 -3.143 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.554 25.903 -1.907 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.068 25.485 -3.567 1.00 0.00 H new ATOM 234 N ASP A 40 -2.489 21.277 -1.394 1.00 0.00 N ATOM 235 CA ASP A 40 -1.405 20.608 -0.691 1.00 0.00 C ATOM 236 C ASP A 40 -1.060 19.279 -1.345 1.00 0.00 C ATOM 237 O ASP A 40 0.078 19.051 -1.748 1.00 0.00 O ATOM 238 CB ASP A 40 -1.784 20.388 0.778 1.00 0.00 C ATOM 239 CG ASP A 40 -1.289 21.499 1.683 1.00 0.00 C ATOM 240 OD1 ASP A 40 -1.443 22.682 1.299 1.00 0.00 O ATOM 241 OD2 ASP A 40 -0.755 21.195 2.766 1.00 0.00 O ATOM 0 H ASP A 40 -3.422 20.959 -1.130 1.00 0.00 H new ATOM 0 HA ASP A 40 -0.525 21.249 -0.743 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -2.868 20.313 0.862 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.371 19.438 1.117 1.00 0.00 H new ATOM 246 N LEU A 41 -2.059 18.408 -1.462 1.00 0.00 N ATOM 247 CA LEU A 41 -1.859 17.097 -2.067 1.00 0.00 C ATOM 248 C LEU A 41 -0.825 16.292 -1.293 1.00 0.00 C ATOM 249 O LEU A 41 -0.326 16.735 -0.264 1.00 0.00 O ATOM 250 CB LEU A 41 -1.421 17.255 -3.530 1.00 0.00 C ATOM 251 CG LEU A 41 -2.510 16.962 -4.571 1.00 0.00 C ATOM 252 CD1 LEU A 41 -2.345 17.862 -5.777 1.00 0.00 C ATOM 253 CD2 LEU A 41 -2.466 15.495 -4.989 1.00 0.00 C ATOM 0 H LEU A 41 -3.012 18.587 -1.146 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.805 16.556 -2.034 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.064 18.274 -3.678 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.576 16.591 -3.714 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.482 17.164 -4.121 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.125 17.641 -6.505 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.423 18.904 -5.467 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.368 17.690 -6.229 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.244 15.304 -5.728 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.492 15.269 -5.422 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.630 14.863 -4.116 1.00 0.00 H new ATOM 265 N HIS A 42 -0.511 15.101 -1.802 1.00 0.00 N ATOM 266 CA HIS A 42 0.469 14.231 -1.146 1.00 0.00 C ATOM 267 C HIS A 42 0.698 12.972 -1.968 1.00 0.00 C ATOM 268 O HIS A 42 -0.249 12.270 -2.343 1.00 0.00 O ATOM 269 CB HIS A 42 -0.003 13.862 0.262 1.00 0.00 C ATOM 270 CG HIS A 42 -1.419 13.378 0.306 1.00 0.00 C ATOM 271 ND1 HIS A 42 -2.506 14.217 0.422 1.00 0.00 N ATOM 272 CD2 HIS A 42 -1.926 12.122 0.246 1.00 0.00 C ATOM 273 CE1 HIS A 42 -3.615 13.501 0.438 1.00 0.00 C ATOM 274 NE2 HIS A 42 -3.293 12.226 0.326 1.00 0.00 N ATOM 0 H HIS A 42 -0.915 14.718 -2.657 1.00 0.00 H new ATOM 0 HA HIS A 42 1.412 14.773 -1.069 1.00 0.00 H new ATOM 0 HB2 HIS A 42 0.650 13.088 0.665 1.00 0.00 H new ATOM 0 HB3 HIS A 42 0.096 14.733 0.910 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -1.359 11.208 0.152 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -4.617 13.893 0.528 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -3.951 11.447 0.303 1.00 0.00 H new ATOM 283 N SER A 43 1.962 12.670 -2.234 1.00 0.00 N ATOM 284 CA SER A 43 2.322 11.486 -3.013 1.00 0.00 C ATOM 285 C SER A 43 2.939 10.410 -2.114 1.00 0.00 C ATOM 286 O SER A 43 3.698 9.571 -2.574 1.00 0.00 O ATOM 287 CB SER A 43 3.298 11.852 -4.128 1.00 0.00 C ATOM 288 OG SER A 43 2.606 12.310 -5.279 1.00 0.00 O ATOM 0 H SER A 43 2.758 13.227 -1.923 1.00 0.00 H new ATOM 0 HA SER A 43 1.410 11.088 -3.459 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.982 12.626 -3.778 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.904 10.983 -4.385 1.00 0.00 H new ATOM 0 HG SER A 43 3.247 12.688 -5.917 1.00 0.00 H new ATOM 294 N LYS A 44 2.605 10.468 -0.829 1.00 0.00 N ATOM 295 CA LYS A 44 3.124 9.504 0.137 1.00 0.00 C ATOM 296 C LYS A 44 2.258 8.244 0.189 1.00 0.00 C ATOM 297 O LYS A 44 2.575 7.295 0.905 1.00 0.00 O ATOM 298 CB LYS A 44 3.202 10.135 1.531 1.00 0.00 C ATOM 299 CG LYS A 44 4.484 9.792 2.275 1.00 0.00 C ATOM 300 CD LYS A 44 4.964 10.971 3.118 1.00 0.00 C ATOM 301 CE LYS A 44 6.464 10.917 3.329 1.00 0.00 C ATOM 302 NZ LYS A 44 6.831 10.111 4.522 1.00 0.00 N ATOM 0 H LYS A 44 1.980 11.169 -0.433 1.00 0.00 H new ATOM 0 HA LYS A 44 4.125 9.218 -0.187 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.123 11.218 1.437 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.348 9.803 2.121 1.00 0.00 H new ATOM 0 HG2 LYS A 44 4.315 8.927 2.917 1.00 0.00 H new ATOM 0 HG3 LYS A 44 5.259 9.513 1.561 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.696 11.906 2.626 1.00 0.00 H new ATOM 0 HD3 LYS A 44 4.457 10.962 4.083 1.00 0.00 H new ATOM 0 HE2 LYS A 44 6.939 10.492 2.445 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.850 11.930 3.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.865 10.100 4.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.399 10.530 5.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.485 9.137 4.403 1.00 0.00 H new ATOM 316 N ASN A 45 1.160 8.243 -0.575 1.00 0.00 N ATOM 317 CA ASN A 45 0.255 7.094 -0.602 1.00 0.00 C ATOM 318 C ASN A 45 1.006 5.803 -0.899 1.00 0.00 C ATOM 319 O ASN A 45 0.665 4.749 -0.370 1.00 0.00 O ATOM 320 CB ASN A 45 -0.829 7.312 -1.656 1.00 0.00 C ATOM 321 CG ASN A 45 -2.058 8.008 -1.101 1.00 0.00 C ATOM 322 OD1 ASN A 45 -2.492 9.043 -1.610 1.00 0.00 O ATOM 323 ND2 ASN A 45 -2.618 7.438 -0.033 1.00 0.00 N ATOM 0 H ASN A 45 0.880 9.018 -1.176 1.00 0.00 H new ATOM 0 HA ASN A 45 -0.202 7.003 0.383 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.420 7.905 -2.474 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.121 6.349 -2.075 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -3.441 7.859 0.397 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.223 6.581 0.354 1.00 0.00 H new ATOM 330 N MET A 46 2.034 5.897 -1.730 1.00 0.00 N ATOM 331 CA MET A 46 2.836 4.726 -2.082 1.00 0.00 C ATOM 332 C MET A 46 3.580 4.200 -0.871 1.00 0.00 C ATOM 333 O MET A 46 3.752 2.993 -0.711 1.00 0.00 O ATOM 334 CB MET A 46 3.822 5.079 -3.204 1.00 0.00 C ATOM 335 CG MET A 46 4.573 6.378 -2.970 1.00 0.00 C ATOM 336 SD MET A 46 6.174 6.415 -3.801 1.00 0.00 S ATOM 337 CE MET A 46 5.660 6.699 -5.504 1.00 0.00 C ATOM 0 H MET A 46 2.334 6.765 -2.173 1.00 0.00 H new ATOM 0 HA MET A 46 2.166 3.943 -2.436 1.00 0.00 H new ATOM 0 HB2 MET A 46 4.542 4.268 -3.312 1.00 0.00 H new ATOM 0 HB3 MET A 46 3.277 5.149 -4.146 1.00 0.00 H new ATOM 0 HG2 MET A 46 3.966 7.212 -3.322 1.00 0.00 H new ATOM 0 HG3 MET A 46 4.720 6.520 -1.899 1.00 0.00 H new ATOM 0 HE1 MET A 46 6.539 6.747 -6.146 1.00 0.00 H new ATOM 0 HE2 MET A 46 5.016 5.882 -5.831 1.00 0.00 H new ATOM 0 HE3 MET A 46 5.113 7.640 -5.567 1.00 0.00 H new ATOM 347 N LYS A 47 4.024 5.114 -0.011 1.00 0.00 N ATOM 348 CA LYS A 47 4.751 4.735 1.194 1.00 0.00 C ATOM 349 C LYS A 47 3.815 4.125 2.222 1.00 0.00 C ATOM 350 O LYS A 47 4.234 3.344 3.079 1.00 0.00 O ATOM 351 CB LYS A 47 5.469 5.958 1.790 1.00 0.00 C ATOM 352 CG LYS A 47 6.385 5.612 2.947 1.00 0.00 C ATOM 353 CD LYS A 47 7.851 5.705 2.544 1.00 0.00 C ATOM 354 CE LYS A 47 8.701 6.277 3.667 1.00 0.00 C ATOM 355 NZ LYS A 47 9.040 5.251 4.691 1.00 0.00 N ATOM 0 H LYS A 47 3.893 6.119 -0.127 1.00 0.00 H new ATOM 0 HA LYS A 47 5.495 3.986 0.921 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.051 6.445 1.008 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.724 6.678 2.128 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.192 6.288 3.780 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.166 4.603 3.297 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.219 4.715 2.275 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.947 6.332 1.658 1.00 0.00 H new ATOM 0 HE2 LYS A 47 9.620 6.691 3.251 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.167 7.100 4.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.620 5.684 5.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.165 4.874 5.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.572 4.477 4.244 1.00 0.00 H new ATOM 369 N ASN A 48 2.537 4.486 2.135 1.00 0.00 N ATOM 370 CA ASN A 48 1.536 3.977 3.062 1.00 0.00 C ATOM 371 C ASN A 48 1.207 2.522 2.761 1.00 0.00 C ATOM 372 O ASN A 48 0.991 1.718 3.667 1.00 0.00 O ATOM 373 CB ASN A 48 0.263 4.825 2.986 1.00 0.00 C ATOM 374 CG ASN A 48 0.115 5.744 4.192 1.00 0.00 C ATOM 375 OD1 ASN A 48 -0.746 5.525 5.043 1.00 0.00 O ATOM 376 ND2 ASN A 48 0.951 6.769 4.259 1.00 0.00 N ATOM 0 H ASN A 48 2.173 5.129 1.432 1.00 0.00 H new ATOM 0 HA ASN A 48 1.946 4.037 4.070 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.280 5.423 2.075 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.606 4.170 2.921 1.00 0.00 H new ATOM 0 HD21 ASN A 48 0.898 7.420 5.042 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.648 6.907 3.527 1.00 0.00 H new ATOM 383 N VAL A 49 1.167 2.179 1.476 1.00 0.00 N ATOM 384 CA VAL A 49 0.860 0.812 1.060 1.00 0.00 C ATOM 385 C VAL A 49 2.048 -0.106 1.307 1.00 0.00 C ATOM 386 O VAL A 49 1.887 -1.214 1.822 1.00 0.00 O ATOM 387 CB VAL A 49 0.465 0.736 -0.421 1.00 0.00 C ATOM 388 CG1 VAL A 49 -0.153 -0.622 -0.726 1.00 0.00 C ATOM 389 CG2 VAL A 49 -0.492 1.860 -0.790 1.00 0.00 C ATOM 0 H VAL A 49 1.343 2.826 0.707 1.00 0.00 H new ATOM 0 HA VAL A 49 0.011 0.485 1.660 1.00 0.00 H new ATOM 0 HB VAL A 49 1.364 0.856 -1.025 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.430 -0.667 -1.779 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.570 -1.408 -0.507 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.041 -0.764 -0.110 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.755 1.782 -1.845 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.395 1.783 -0.184 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.012 2.821 -0.606 1.00 0.00 H new ATOM 399 N ILE A 50 3.238 0.350 0.933 1.00 0.00 N ATOM 400 CA ILE A 50 4.443 -0.445 1.121 1.00 0.00 C ATOM 401 C ILE A 50 4.644 -0.773 2.594 1.00 0.00 C ATOM 402 O ILE A 50 5.210 -1.804 2.946 1.00 0.00 O ATOM 403 CB ILE A 50 5.686 0.280 0.583 1.00 0.00 C ATOM 404 CG1 ILE A 50 6.919 -0.617 0.697 1.00 0.00 C ATOM 405 CG2 ILE A 50 5.910 1.589 1.337 1.00 0.00 C ATOM 406 CD1 ILE A 50 8.135 -0.071 -0.023 1.00 0.00 C ATOM 0 H ILE A 50 3.393 1.261 0.500 1.00 0.00 H new ATOM 0 HA ILE A 50 4.312 -1.370 0.559 1.00 0.00 H new ATOM 0 HB ILE A 50 5.521 0.511 -0.469 1.00 0.00 H new ATOM 0 HG12 ILE A 50 7.162 -0.754 1.751 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.680 -1.601 0.294 1.00 0.00 H new ATOM 0 HG21 ILE A 50 6.795 2.089 0.943 1.00 0.00 H new ATOM 0 HG22 ILE A 50 5.041 2.235 1.211 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.054 1.378 2.397 1.00 0.00 H new ATOM 0 HD11 ILE A 50 8.971 -0.759 0.101 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.910 0.040 -1.084 1.00 0.00 H new ATOM 0 HD13 ILE A 50 8.400 0.900 0.395 1.00 0.00 H new ATOM 418 N ASN A 51 4.163 0.117 3.460 1.00 0.00 N ATOM 419 CA ASN A 51 4.282 -0.073 4.905 1.00 0.00 C ATOM 420 C ASN A 51 3.249 -1.084 5.397 1.00 0.00 C ATOM 421 O ASN A 51 3.590 -2.065 6.058 1.00 0.00 O ATOM 422 CB ASN A 51 4.103 1.255 5.632 1.00 0.00 C ATOM 423 CG ASN A 51 5.409 1.782 6.199 1.00 0.00 C ATOM 424 OD1 ASN A 51 5.456 2.294 7.323 1.00 0.00 O ATOM 425 ND2 ASN A 51 6.481 1.667 5.425 1.00 0.00 N ATOM 0 H ASN A 51 3.687 0.977 3.187 1.00 0.00 H new ATOM 0 HA ASN A 51 5.278 -0.459 5.120 1.00 0.00 H new ATOM 0 HB2 ASN A 51 3.685 1.990 4.944 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.383 1.130 6.440 1.00 0.00 H new ATOM 0 HD21 ASN A 51 7.385 2.008 5.752 1.00 0.00 H new ATOM 0 HD22 ASN A 51 6.401 1.238 4.503 1.00 0.00 H new ATOM 432 N ASN A 52 1.982 -0.848 5.057 1.00 0.00 N ATOM 433 CA ASN A 52 0.902 -1.739 5.463 1.00 0.00 C ATOM 434 C ASN A 52 1.033 -3.089 4.765 1.00 0.00 C ATOM 435 O ASN A 52 0.713 -4.127 5.342 1.00 0.00 O ATOM 436 CB ASN A 52 -0.458 -1.110 5.141 1.00 0.00 C ATOM 437 CG ASN A 52 -0.741 0.114 5.993 1.00 0.00 C ATOM 438 OD1 ASN A 52 -0.557 1.245 5.549 1.00 0.00 O ATOM 439 ND2 ASN A 52 -1.194 -0.115 7.219 1.00 0.00 N ATOM 0 H ASN A 52 1.681 -0.047 4.502 1.00 0.00 H new ATOM 0 HA ASN A 52 0.971 -1.894 6.540 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.487 -0.832 4.088 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -1.244 -1.849 5.297 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.406 0.667 7.839 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -1.330 -1.073 7.542 1.00 0.00 H new ATOM 446 N ALA A 53 1.515 -3.057 3.530 1.00 0.00 N ATOM 447 CA ALA A 53 1.699 -4.270 2.751 1.00 0.00 C ATOM 448 C ALA A 53 2.837 -5.115 3.316 1.00 0.00 C ATOM 449 O ALA A 53 2.851 -6.336 3.164 1.00 0.00 O ATOM 450 CB ALA A 53 1.966 -3.923 1.292 1.00 0.00 C ATOM 0 H ALA A 53 1.786 -2.201 3.047 1.00 0.00 H new ATOM 0 HA ALA A 53 0.782 -4.857 2.810 1.00 0.00 H new ATOM 0 HB1 ALA A 53 2.102 -4.840 0.719 1.00 0.00 H new ATOM 0 HB2 ALA A 53 1.120 -3.366 0.890 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.867 -3.314 1.222 1.00 0.00 H new ATOM 456 N LYS A 54 3.790 -4.456 3.971 1.00 0.00 N ATOM 457 CA LYS A 54 4.927 -5.153 4.557 1.00 0.00 C ATOM 458 C LYS A 54 4.519 -5.880 5.835 1.00 0.00 C ATOM 459 O LYS A 54 4.810 -7.063 6.005 1.00 0.00 O ATOM 460 CB LYS A 54 6.054 -4.160 4.866 1.00 0.00 C ATOM 461 CG LYS A 54 7.349 -4.469 4.140 1.00 0.00 C ATOM 462 CD LYS A 54 7.208 -4.261 2.641 1.00 0.00 C ATOM 463 CE LYS A 54 8.077 -5.236 1.863 1.00 0.00 C ATOM 464 NZ LYS A 54 8.429 -4.713 0.515 1.00 0.00 N ATOM 0 H LYS A 54 3.796 -3.445 4.108 1.00 0.00 H new ATOM 0 HA LYS A 54 5.282 -5.889 3.835 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.727 -3.156 4.597 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.241 -4.157 5.940 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.144 -3.830 4.524 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.643 -5.499 4.340 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.165 -4.389 2.351 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.487 -3.239 2.386 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.990 -5.436 2.424 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.552 -6.186 1.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.022 -5.407 0.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.559 -4.546 -0.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.952 -3.820 0.615 1.00 0.00 H new ATOM 478 N LYS A 55 3.843 -5.165 6.729 1.00 0.00 N ATOM 479 CA LYS A 55 3.390 -5.748 7.986 1.00 0.00 C ATOM 480 C LYS A 55 2.513 -6.971 7.735 1.00 0.00 C ATOM 481 O LYS A 55 2.631 -7.983 8.427 1.00 0.00 O ATOM 482 CB LYS A 55 2.620 -4.708 8.802 1.00 0.00 C ATOM 483 CG LYS A 55 3.344 -4.274 10.066 1.00 0.00 C ATOM 484 CD LYS A 55 2.738 -4.907 11.310 1.00 0.00 C ATOM 485 CE LYS A 55 3.380 -4.381 12.578 1.00 0.00 C ATOM 486 NZ LYS A 55 3.436 -5.421 13.643 1.00 0.00 N ATOM 0 H LYS A 55 3.597 -4.183 6.606 1.00 0.00 H new ATOM 0 HA LYS A 55 4.267 -6.066 8.550 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.436 -3.833 8.179 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.647 -5.117 9.072 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.396 -4.548 9.994 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.303 -3.188 10.154 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.667 -4.707 11.335 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.859 -5.989 11.263 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.389 -4.033 12.357 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.818 -3.520 12.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.882 -5.023 14.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.472 -5.736 13.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.994 -6.232 13.307 1.00 0.00 H new ATOM 500 N ASN A 56 1.637 -6.875 6.738 1.00 0.00 N ATOM 501 CA ASN A 56 0.746 -7.968 6.401 1.00 0.00 C ATOM 502 C ASN A 56 1.537 -9.178 5.914 1.00 0.00 C ATOM 503 O ASN A 56 1.325 -10.300 6.379 1.00 0.00 O ATOM 504 CB ASN A 56 -0.249 -7.528 5.325 1.00 0.00 C ATOM 505 CG ASN A 56 -1.163 -6.418 5.804 1.00 0.00 C ATOM 506 OD1 ASN A 56 -1.461 -5.473 4.919 1.00 0.00 O flip ATOM 507 ND2 ASN A 56 -1.599 -6.410 6.955 1.00 0.00 N flip ATOM 0 H ASN A 56 1.530 -6.047 6.152 1.00 0.00 H new ATOM 0 HA ASN A 56 0.197 -8.250 7.299 1.00 0.00 H new ATOM 0 HB2 ASN A 56 0.298 -7.191 4.444 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -0.851 -8.384 5.018 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -1.344 -7.156 7.602 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -2.215 -5.657 7.262 1.00 0.00 H new ATOM 514 N LEU A 57 2.454 -8.944 4.979 1.00 0.00 N ATOM 515 CA LEU A 57 3.281 -10.012 4.429 1.00 0.00 C ATOM 516 C LEU A 57 3.930 -10.827 5.544 1.00 0.00 C ATOM 517 O LEU A 57 3.683 -12.026 5.679 1.00 0.00 O ATOM 518 CB LEU A 57 4.365 -9.429 3.520 1.00 0.00 C ATOM 519 CG LEU A 57 3.870 -8.924 2.164 1.00 0.00 C ATOM 520 CD1 LEU A 57 4.842 -7.902 1.590 1.00 0.00 C ATOM 521 CD2 LEU A 57 3.682 -10.086 1.201 1.00 0.00 C ATOM 0 H LEU A 57 2.643 -8.022 4.586 1.00 0.00 H new ATOM 0 HA LEU A 57 2.637 -10.670 3.845 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.851 -8.605 4.042 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.125 -10.192 3.351 1.00 0.00 H new ATOM 0 HG LEU A 57 2.905 -8.437 2.306 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.475 -7.553 0.625 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.927 -7.057 2.273 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.821 -8.364 1.460 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.329 -9.709 0.241 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.633 -10.601 1.062 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.949 -10.782 1.609 1.00 0.00 H new ATOM 533 N GLU A 58 4.758 -10.163 6.340 1.00 0.00 N ATOM 534 CA GLU A 58 5.442 -10.818 7.447 1.00 0.00 C ATOM 535 C GLU A 58 4.440 -11.453 8.405 1.00 0.00 C ATOM 536 O GLU A 58 4.743 -12.446 9.066 1.00 0.00 O ATOM 537 CB GLU A 58 6.321 -9.824 8.191 1.00 0.00 C ATOM 538 CG GLU A 58 7.685 -9.617 7.553 1.00 0.00 C ATOM 539 CD GLU A 58 8.184 -8.185 7.693 1.00 0.00 C ATOM 540 OE1 GLU A 58 7.827 -7.525 8.689 1.00 0.00 O ATOM 541 OE2 GLU A 58 8.920 -7.733 6.798 1.00 0.00 O ATOM 0 H GLU A 58 4.972 -9.171 6.240 1.00 0.00 H new ATOM 0 HA GLU A 58 6.072 -11.607 7.036 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.805 -8.865 8.244 1.00 0.00 H new ATOM 0 HB3 GLU A 58 6.458 -10.169 9.216 1.00 0.00 H new ATOM 0 HG2 GLU A 58 8.404 -10.295 8.013 1.00 0.00 H new ATOM 0 HG3 GLU A 58 7.631 -9.878 6.496 1.00 0.00 H new ATOM 548 N LYS A 59 3.242 -10.878 8.471 1.00 0.00 N ATOM 549 CA LYS A 59 2.195 -11.397 9.345 1.00 0.00 C ATOM 550 C LYS A 59 1.885 -12.850 9.005 1.00 0.00 C ATOM 551 O LYS A 59 1.619 -13.662 9.890 1.00 0.00 O ATOM 552 CB LYS A 59 0.927 -10.551 9.224 1.00 0.00 C ATOM 553 CG LYS A 59 -0.014 -10.695 10.408 1.00 0.00 C ATOM 554 CD LYS A 59 -1.145 -9.683 10.346 1.00 0.00 C ATOM 555 CE LYS A 59 -1.640 -9.319 11.739 1.00 0.00 C ATOM 556 NZ LYS A 59 -2.958 -8.629 11.696 1.00 0.00 N ATOM 0 H LYS A 59 2.973 -10.055 7.931 1.00 0.00 H new ATOM 0 HA LYS A 59 2.554 -11.346 10.373 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.208 -9.503 9.119 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.398 -10.832 8.313 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.427 -11.703 10.425 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.543 -10.563 11.335 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.803 -8.784 9.833 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.969 -10.091 9.760 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.723 -10.223 12.343 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.909 -8.675 12.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.261 -8.398 12.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.874 -7.753 11.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -3.662 -9.253 11.253 1.00 0.00 H new ATOM 570 N TYR A 60 1.929 -13.172 7.717 1.00 0.00 N ATOM 571 CA TYR A 60 1.661 -14.531 7.261 1.00 0.00 C ATOM 572 C TYR A 60 2.884 -15.416 7.471 1.00 0.00 C ATOM 573 O TYR A 60 2.764 -16.588 7.826 1.00 0.00 O ATOM 574 CB TYR A 60 1.267 -14.541 5.782 1.00 0.00 C ATOM 575 CG TYR A 60 0.396 -13.373 5.370 1.00 0.00 C ATOM 576 CD1 TYR A 60 -0.922 -13.279 5.798 1.00 0.00 C ATOM 577 CD2 TYR A 60 0.894 -12.369 4.550 1.00 0.00 C ATOM 578 CE1 TYR A 60 -1.720 -12.215 5.420 1.00 0.00 C ATOM 579 CE2 TYR A 60 0.103 -11.303 4.168 1.00 0.00 C ATOM 580 CZ TYR A 60 -1.203 -11.230 4.605 1.00 0.00 C ATOM 581 OH TYR A 60 -1.993 -10.170 4.226 1.00 0.00 O ATOM 0 H TYR A 60 2.147 -12.512 6.971 1.00 0.00 H new ATOM 0 HA TYR A 60 0.831 -14.924 7.848 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.172 -14.538 5.175 1.00 0.00 H new ATOM 0 HB3 TYR A 60 0.740 -15.470 5.563 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -1.330 -14.049 6.436 1.00 0.00 H new ATOM 0 HD2 TYR A 60 1.916 -12.423 4.205 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -2.743 -12.156 5.761 1.00 0.00 H new ATOM 0 HE2 TYR A 60 0.505 -10.530 3.530 1.00 0.00 H new ATOM 0 HH TYR A 60 -2.385 -10.352 3.346 1.00 0.00 H new ATOM 591 N PHE A 61 4.062 -14.844 7.246 1.00 0.00 N ATOM 592 CA PHE A 61 5.314 -15.576 7.407 1.00 0.00 C ATOM 593 C PHE A 61 5.602 -15.859 8.879 1.00 0.00 C ATOM 594 O PHE A 61 6.272 -16.836 9.214 1.00 0.00 O ATOM 595 CB PHE A 61 6.472 -14.782 6.797 1.00 0.00 C ATOM 596 CG PHE A 61 7.647 -15.634 6.409 1.00 0.00 C ATOM 597 CD1 PHE A 61 8.447 -16.216 7.379 1.00 0.00 C ATOM 598 CD2 PHE A 61 7.951 -15.852 5.075 1.00 0.00 C ATOM 599 CE1 PHE A 61 9.528 -17.001 7.026 1.00 0.00 C ATOM 600 CE2 PHE A 61 9.026 -16.635 4.718 1.00 0.00 C ATOM 601 CZ PHE A 61 9.816 -17.211 5.694 1.00 0.00 C ATOM 0 H PHE A 61 4.176 -13.874 6.951 1.00 0.00 H new ATOM 0 HA PHE A 61 5.215 -16.529 6.887 1.00 0.00 H new ATOM 0 HB2 PHE A 61 6.113 -14.250 5.916 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.801 -14.028 7.512 1.00 0.00 H new ATOM 0 HD1 PHE A 61 8.223 -16.054 8.423 1.00 0.00 H new ATOM 0 HD2 PHE A 61 7.338 -15.403 4.307 1.00 0.00 H new ATOM 0 HE1 PHE A 61 10.145 -17.449 7.791 1.00 0.00 H new ATOM 0 HE2 PHE A 61 9.252 -16.799 3.675 1.00 0.00 H new ATOM 0 HZ PHE A 61 10.659 -17.826 5.414 1.00 0.00 H new ATOM 611 N LYS A 62 5.100 -14.997 9.755 1.00 0.00 N ATOM 612 CA LYS A 62 5.313 -15.159 11.187 1.00 0.00 C ATOM 613 C LYS A 62 4.241 -16.044 11.816 1.00 0.00 C ATOM 614 O LYS A 62 4.488 -16.713 12.820 1.00 0.00 O ATOM 615 CB LYS A 62 5.327 -13.792 11.877 1.00 0.00 C ATOM 616 CG LYS A 62 5.884 -13.835 13.285 1.00 0.00 C ATOM 617 CD LYS A 62 4.775 -13.878 14.327 1.00 0.00 C ATOM 618 CE LYS A 62 5.330 -13.779 15.740 1.00 0.00 C ATOM 619 NZ LYS A 62 5.950 -12.451 16.005 1.00 0.00 N ATOM 0 H LYS A 62 4.544 -14.181 9.499 1.00 0.00 H new ATOM 0 HA LYS A 62 6.278 -15.646 11.325 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.920 -13.098 11.281 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.311 -13.398 11.908 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.523 -14.711 13.397 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.510 -12.959 13.456 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.078 -13.059 14.151 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.211 -14.805 14.221 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.528 -13.954 16.457 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.072 -14.563 15.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.100 -12.336 17.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.864 -12.390 15.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.320 -11.699 15.660 1.00 0.00 H new ATOM 633 N GLU A 63 3.046 -16.031 11.234 1.00 0.00 N ATOM 634 CA GLU A 63 1.937 -16.822 11.759 1.00 0.00 C ATOM 635 C GLU A 63 1.767 -18.146 11.016 1.00 0.00 C ATOM 636 O GLU A 63 1.613 -19.196 11.639 1.00 0.00 O ATOM 637 CB GLU A 63 0.637 -16.019 11.691 1.00 0.00 C ATOM 638 CG GLU A 63 -0.176 -16.075 12.974 1.00 0.00 C ATOM 639 CD GLU A 63 -1.111 -17.268 13.019 1.00 0.00 C ATOM 640 OE1 GLU A 63 -1.942 -17.407 12.097 1.00 0.00 O ATOM 641 OE2 GLU A 63 -1.013 -18.062 13.978 1.00 0.00 O ATOM 0 H GLU A 63 2.821 -15.485 10.403 1.00 0.00 H new ATOM 0 HA GLU A 63 2.172 -17.055 12.797 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.873 -14.979 11.464 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.029 -16.395 10.868 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.501 -16.116 13.827 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.757 -15.158 13.072 1.00 0.00 H new ATOM 648 N HIS A 64 1.773 -18.096 9.686 1.00 0.00 N ATOM 649 CA HIS A 64 1.592 -19.308 8.887 1.00 0.00 C ATOM 650 C HIS A 64 2.802 -19.615 8.011 1.00 0.00 C ATOM 651 O HIS A 64 2.749 -20.507 7.164 1.00 0.00 O ATOM 652 CB HIS A 64 0.340 -19.186 8.017 1.00 0.00 C ATOM 653 CG HIS A 64 -0.934 -19.158 8.803 1.00 0.00 C ATOM 654 ND1 HIS A 64 -1.670 -20.290 9.086 1.00 0.00 N ATOM 655 CD2 HIS A 64 -1.606 -18.125 9.365 1.00 0.00 C ATOM 656 CE1 HIS A 64 -2.738 -19.955 9.787 1.00 0.00 C ATOM 657 NE2 HIS A 64 -2.723 -18.648 9.971 1.00 0.00 N ATOM 0 H HIS A 64 1.899 -17.242 9.143 1.00 0.00 H new ATOM 0 HA HIS A 64 1.477 -20.136 9.586 1.00 0.00 H new ATOM 0 HB2 HIS A 64 0.409 -18.277 7.420 1.00 0.00 H new ATOM 0 HB3 HIS A 64 0.309 -20.023 7.320 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -1.318 -17.084 9.341 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -3.495 -20.635 10.148 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -3.426 -18.113 10.480 1.00 0.00 H new ATOM 666 N PHE A 65 3.890 -18.890 8.225 1.00 0.00 N ATOM 667 CA PHE A 65 5.114 -19.100 7.456 1.00 0.00 C ATOM 668 C PHE A 65 4.872 -18.925 5.957 1.00 0.00 C ATOM 669 O PHE A 65 3.936 -19.493 5.397 1.00 0.00 O ATOM 670 CB PHE A 65 5.673 -20.496 7.734 1.00 0.00 C ATOM 671 CG PHE A 65 7.136 -20.631 7.426 1.00 0.00 C ATOM 672 CD1 PHE A 65 8.088 -20.042 8.245 1.00 0.00 C ATOM 673 CD2 PHE A 65 7.561 -21.346 6.318 1.00 0.00 C ATOM 674 CE1 PHE A 65 9.434 -20.165 7.965 1.00 0.00 C ATOM 675 CE2 PHE A 65 8.900 -21.473 6.036 1.00 0.00 C ATOM 676 CZ PHE A 65 9.844 -20.882 6.857 1.00 0.00 C ATOM 0 H PHE A 65 3.953 -18.150 8.924 1.00 0.00 H new ATOM 0 HA PHE A 65 5.838 -18.348 7.769 1.00 0.00 H new ATOM 0 HB2 PHE A 65 5.507 -20.742 8.783 1.00 0.00 H new ATOM 0 HB3 PHE A 65 5.117 -21.225 7.144 1.00 0.00 H new ATOM 0 HD1 PHE A 65 7.772 -19.481 9.112 1.00 0.00 H new ATOM 0 HD2 PHE A 65 6.832 -21.809 5.669 1.00 0.00 H new ATOM 0 HE1 PHE A 65 10.165 -19.702 8.611 1.00 0.00 H new ATOM 0 HE2 PHE A 65 9.217 -22.036 5.170 1.00 0.00 H new ATOM 0 HZ PHE A 65 10.896 -20.981 6.633 1.00 0.00 H new ATOM 686 N LYS A 66 5.729 -18.140 5.314 1.00 0.00 N ATOM 687 CA LYS A 66 5.617 -17.890 3.880 1.00 0.00 C ATOM 688 C LYS A 66 4.295 -17.207 3.541 1.00 0.00 C ATOM 689 O LYS A 66 3.228 -17.650 3.962 1.00 0.00 O ATOM 690 CB LYS A 66 5.739 -19.202 3.102 1.00 0.00 C ATOM 691 CG LYS A 66 7.122 -19.820 3.165 1.00 0.00 C ATOM 692 CD LYS A 66 7.944 -19.468 1.935 1.00 0.00 C ATOM 693 CE LYS A 66 8.961 -20.553 1.610 1.00 0.00 C ATOM 694 NZ LYS A 66 10.350 -20.110 1.887 1.00 0.00 N ATOM 0 H LYS A 66 6.511 -17.664 5.764 1.00 0.00 H new ATOM 0 HA LYS A 66 6.430 -17.224 3.592 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.014 -19.915 3.493 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.478 -19.022 2.059 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.637 -19.472 4.060 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.035 -20.903 3.248 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.280 -19.324 1.082 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.460 -18.522 2.100 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.741 -21.445 2.197 1.00 0.00 H new ATOM 0 HE3 LYS A 66 8.871 -20.832 0.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 11.012 -20.877 1.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 10.570 -19.274 1.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 10.443 -19.868 2.894 1.00 0.00 H new ATOM 708 N GLU A 67 4.375 -16.124 2.773 1.00 0.00 N ATOM 709 CA GLU A 67 3.184 -15.382 2.374 1.00 0.00 C ATOM 710 C GLU A 67 2.368 -16.175 1.358 1.00 0.00 C ATOM 711 O GLU A 67 2.865 -17.127 0.756 1.00 0.00 O ATOM 712 CB GLU A 67 3.576 -14.026 1.782 1.00 0.00 C ATOM 713 CG GLU A 67 4.460 -14.131 0.551 1.00 0.00 C ATOM 714 CD GLU A 67 3.660 -14.249 -0.731 1.00 0.00 C ATOM 715 OE1 GLU A 67 3.312 -15.387 -1.111 1.00 0.00 O ATOM 716 OE2 GLU A 67 3.382 -13.204 -1.356 1.00 0.00 O ATOM 0 H GLU A 67 5.250 -15.742 2.415 1.00 0.00 H new ATOM 0 HA GLU A 67 2.572 -15.220 3.261 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.671 -13.477 1.523 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.095 -13.443 2.543 1.00 0.00 H new ATOM 0 HG2 GLU A 67 5.104 -13.253 0.494 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.112 -14.999 0.649 1.00 0.00 H new ATOM 723 N PHE A 68 1.114 -15.779 1.173 1.00 0.00 N ATOM 724 CA PHE A 68 0.230 -16.457 0.230 1.00 0.00 C ATOM 725 C PHE A 68 -0.440 -15.457 -0.708 1.00 0.00 C ATOM 726 O PHE A 68 -0.516 -15.679 -1.916 1.00 0.00 O ATOM 727 CB PHE A 68 -0.834 -17.261 0.980 1.00 0.00 C ATOM 728 CG PHE A 68 -0.289 -18.048 2.136 1.00 0.00 C ATOM 729 CD1 PHE A 68 -0.023 -17.431 3.348 1.00 0.00 C ATOM 730 CD2 PHE A 68 -0.042 -19.407 2.012 1.00 0.00 C ATOM 731 CE1 PHE A 68 0.478 -18.153 4.414 1.00 0.00 C ATOM 732 CE2 PHE A 68 0.460 -20.134 3.074 1.00 0.00 C ATOM 733 CZ PHE A 68 0.720 -19.506 4.277 1.00 0.00 C ATOM 0 H PHE A 68 0.686 -14.993 1.662 1.00 0.00 H new ATOM 0 HA PHE A 68 0.836 -17.138 -0.368 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.602 -16.579 1.345 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.320 -17.944 0.283 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.210 -16.373 3.461 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -0.244 -19.903 1.074 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.680 -17.660 5.353 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.649 -21.192 2.964 1.00 0.00 H new ATOM 0 HZ PHE A 68 1.112 -20.072 5.109 1.00 0.00 H new ATOM 743 N ASP A 69 -0.930 -14.359 -0.142 1.00 0.00 N ATOM 744 CA ASP A 69 -1.598 -13.327 -0.926 1.00 0.00 C ATOM 745 C ASP A 69 -0.611 -12.257 -1.380 1.00 0.00 C ATOM 746 O ASP A 69 0.339 -11.930 -0.668 1.00 0.00 O ATOM 747 CB ASP A 69 -2.719 -12.686 -0.108 1.00 0.00 C ATOM 748 CG ASP A 69 -2.214 -12.069 1.182 1.00 0.00 C ATOM 749 OD1 ASP A 69 -1.213 -12.577 1.730 1.00 0.00 O ATOM 750 OD2 ASP A 69 -2.817 -11.078 1.642 1.00 0.00 O ATOM 0 H ASP A 69 -0.877 -14.161 0.857 1.00 0.00 H new ATOM 0 HA ASP A 69 -2.023 -13.799 -1.812 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -3.209 -11.918 -0.707 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -3.472 -13.439 0.123 1.00 0.00 H new ATOM 755 N LYS A 70 -0.847 -11.709 -2.569 1.00 0.00 N ATOM 756 CA LYS A 70 0.015 -10.669 -3.118 1.00 0.00 C ATOM 757 C LYS A 70 -0.764 -9.371 -3.307 1.00 0.00 C ATOM 758 O LYS A 70 -1.981 -9.390 -3.498 1.00 0.00 O ATOM 759 CB LYS A 70 0.613 -11.120 -4.452 1.00 0.00 C ATOM 760 CG LYS A 70 1.882 -10.387 -4.821 1.00 0.00 C ATOM 761 CD LYS A 70 2.742 -11.206 -5.777 1.00 0.00 C ATOM 762 CE LYS A 70 4.062 -10.511 -6.080 1.00 0.00 C ATOM 763 NZ LYS A 70 4.454 -10.669 -7.504 1.00 0.00 N ATOM 0 H LYS A 70 -1.629 -11.969 -3.170 1.00 0.00 H new ATOM 0 HA LYS A 70 0.826 -10.490 -2.412 1.00 0.00 H new ATOM 0 HB2 LYS A 70 0.821 -12.189 -4.405 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -0.125 -10.973 -5.241 1.00 0.00 H new ATOM 0 HG2 LYS A 70 1.631 -9.432 -5.283 1.00 0.00 H new ATOM 0 HG3 LYS A 70 2.451 -10.164 -3.918 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.938 -12.186 -5.342 1.00 0.00 H new ATOM 0 HD3 LYS A 70 2.196 -11.373 -6.706 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.978 -9.451 -5.842 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.844 -10.920 -5.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 5.358 -10.182 -7.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.559 -11.680 -7.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.720 -10.256 -8.114 1.00 0.00 H new ATOM 777 N ILE A 71 -0.063 -8.246 -3.248 1.00 0.00 N ATOM 778 CA ILE A 71 -0.707 -6.949 -3.408 1.00 0.00 C ATOM 779 C ILE A 71 0.116 -6.014 -4.287 1.00 0.00 C ATOM 780 O ILE A 71 1.244 -5.655 -3.947 1.00 0.00 O ATOM 781 CB ILE A 71 -0.954 -6.272 -2.046 1.00 0.00 C ATOM 782 CG1 ILE A 71 -1.679 -4.935 -2.232 1.00 0.00 C ATOM 783 CG2 ILE A 71 0.361 -6.066 -1.315 1.00 0.00 C ATOM 784 CD1 ILE A 71 -2.592 -4.576 -1.081 1.00 0.00 C ATOM 0 H ILE A 71 0.944 -8.205 -3.092 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.664 -7.138 -3.894 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.588 -6.924 -1.445 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.939 -4.145 -2.358 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.264 -4.973 -3.151 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.172 -5.587 -0.354 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.841 -7.031 -1.151 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.015 -5.432 -1.914 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -3.071 -3.618 -1.282 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -3.355 -5.346 -0.968 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -2.009 -4.505 -0.163 1.00 0.00 H new ATOM 796 N SER A 72 -0.467 -5.608 -5.409 1.00 0.00 N ATOM 797 CA SER A 72 0.188 -4.696 -6.327 1.00 0.00 C ATOM 798 C SER A 72 -0.289 -3.273 -6.079 1.00 0.00 C ATOM 799 O SER A 72 -1.491 -3.019 -6.025 1.00 0.00 O ATOM 800 CB SER A 72 -0.090 -5.099 -7.777 1.00 0.00 C ATOM 801 OG SER A 72 -0.011 -6.504 -7.941 1.00 0.00 O ATOM 0 H SER A 72 -1.399 -5.901 -5.702 1.00 0.00 H new ATOM 0 HA SER A 72 1.263 -4.745 -6.155 1.00 0.00 H new ATOM 0 HB2 SER A 72 -1.080 -4.751 -8.071 1.00 0.00 H new ATOM 0 HB3 SER A 72 0.628 -4.612 -8.437 1.00 0.00 H new ATOM 0 HG SER A 72 -0.194 -6.735 -8.876 1.00 0.00 H new ATOM 807 N TYR A 73 0.642 -2.349 -5.904 1.00 0.00 N ATOM 808 CA TYR A 73 0.280 -0.963 -5.635 1.00 0.00 C ATOM 809 C TYR A 73 1.091 0.000 -6.500 1.00 0.00 C ATOM 810 O TYR A 73 2.268 -0.224 -6.772 1.00 0.00 O ATOM 811 CB TYR A 73 0.484 -0.650 -4.155 1.00 0.00 C ATOM 812 CG TYR A 73 1.915 -0.714 -3.689 1.00 0.00 C ATOM 813 CD1 TYR A 73 2.563 -1.932 -3.522 1.00 0.00 C ATOM 814 CD2 TYR A 73 2.629 0.448 -3.419 1.00 0.00 C ATOM 815 CE1 TYR A 73 3.881 -1.990 -3.101 1.00 0.00 C ATOM 816 CE2 TYR A 73 3.947 0.399 -2.997 1.00 0.00 C ATOM 817 CZ TYR A 73 4.567 -0.823 -2.840 1.00 0.00 C ATOM 818 OH TYR A 73 5.874 -0.876 -2.417 1.00 0.00 O ATOM 0 H TYR A 73 1.645 -2.529 -5.942 1.00 0.00 H new ATOM 0 HA TYR A 73 -0.772 -0.830 -5.887 1.00 0.00 H new ATOM 0 HB2 TYR A 73 0.094 0.347 -3.952 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -0.108 -1.350 -3.565 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.030 -2.849 -3.724 1.00 0.00 H new ATOM 0 HD2 TYR A 73 2.147 1.407 -3.541 1.00 0.00 H new ATOM 0 HE1 TYR A 73 4.369 -2.945 -2.978 1.00 0.00 H new ATOM 0 HE2 TYR A 73 4.486 1.312 -2.792 1.00 0.00 H new ATOM 0 HH TYR A 73 6.349 -0.074 -2.720 1.00 0.00 H new ATOM 828 N ASP A 74 0.440 1.071 -6.924 1.00 0.00 N ATOM 829 CA ASP A 74 1.078 2.080 -7.762 1.00 0.00 C ATOM 830 C ASP A 74 0.338 3.414 -7.665 1.00 0.00 C ATOM 831 O ASP A 74 -0.841 3.466 -7.300 1.00 0.00 O ATOM 832 CB ASP A 74 1.123 1.613 -9.221 1.00 0.00 C ATOM 833 CG ASP A 74 2.421 1.977 -9.903 1.00 0.00 C ATOM 834 OD1 ASP A 74 3.462 2.022 -9.221 1.00 0.00 O ATOM 835 OD2 ASP A 74 2.394 2.229 -11.129 1.00 0.00 O ATOM 0 H ASP A 74 -0.536 1.267 -6.701 1.00 0.00 H new ATOM 0 HA ASP A 74 2.097 2.221 -7.403 1.00 0.00 H new ATOM 0 HB2 ASP A 74 0.987 0.532 -9.258 1.00 0.00 H new ATOM 0 HB3 ASP A 74 0.291 2.058 -9.768 1.00 0.00 H new ATOM 840 N ILE A 75 1.044 4.493 -8.000 1.00 0.00 N ATOM 841 CA ILE A 75 0.451 5.828 -7.946 1.00 0.00 C ATOM 842 C ILE A 75 0.090 6.321 -9.342 1.00 0.00 C ATOM 843 O ILE A 75 0.914 6.345 -10.250 1.00 0.00 O ATOM 844 CB ILE A 75 1.413 6.834 -7.296 1.00 0.00 C ATOM 845 CG1 ILE A 75 0.731 8.194 -7.133 1.00 0.00 C ATOM 846 CG2 ILE A 75 2.692 6.975 -8.112 1.00 0.00 C ATOM 847 CD1 ILE A 75 1.170 8.946 -5.896 1.00 0.00 C ATOM 0 H ILE A 75 2.016 4.470 -8.308 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.454 5.754 -7.343 1.00 0.00 H new ATOM 0 HB ILE A 75 1.682 6.456 -6.310 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.940 8.804 -8.012 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.349 8.048 -7.095 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.355 7.693 -7.629 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.191 6.008 -8.177 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.447 7.325 -9.115 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.646 9.900 -5.845 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.936 8.356 -5.010 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.244 9.124 -5.941 1.00 0.00 H new ATOM 859 N SER A 76 -1.172 6.731 -9.503 1.00 0.00 N ATOM 860 CA SER A 76 -1.655 7.235 -10.786 1.00 0.00 C ATOM 861 C SER A 76 -1.406 8.737 -10.906 1.00 0.00 C ATOM 862 O SER A 76 -1.954 9.527 -10.138 1.00 0.00 O ATOM 863 CB SER A 76 -3.150 6.938 -10.942 1.00 0.00 C ATOM 864 OG SER A 76 -3.348 5.695 -11.597 1.00 0.00 O ATOM 0 H SER A 76 -1.873 6.723 -8.762 1.00 0.00 H new ATOM 0 HA SER A 76 -1.106 6.729 -11.580 1.00 0.00 H new ATOM 0 HB2 SER A 76 -3.626 6.918 -9.962 1.00 0.00 H new ATOM 0 HB3 SER A 76 -3.627 7.735 -11.512 1.00 0.00 H new ATOM 0 HG SER A 76 -4.062 5.197 -11.146 1.00 0.00 H new ATOM 870 N THR A 77 -0.574 9.120 -11.868 1.00 0.00 N ATOM 871 CA THR A 77 -0.244 10.522 -12.083 1.00 0.00 C ATOM 872 C THR A 77 0.493 11.089 -10.877 1.00 0.00 C ATOM 873 O THR A 77 0.217 10.720 -9.741 1.00 0.00 O ATOM 874 CB THR A 77 -1.520 11.334 -12.351 1.00 0.00 C ATOM 875 OG1 THR A 77 -2.623 10.477 -12.591 1.00 0.00 O ATOM 876 CG2 THR A 77 -1.402 12.265 -13.539 1.00 0.00 C ATOM 0 H THR A 77 -0.115 8.476 -12.513 1.00 0.00 H new ATOM 0 HA THR A 77 0.408 10.592 -12.953 1.00 0.00 H new ATOM 0 HB THR A 77 -1.670 11.932 -11.452 1.00 0.00 H new ATOM 0 HG1 THR A 77 -3.326 10.973 -13.060 1.00 0.00 H new ATOM 0 HG21 THR A 77 -2.338 12.807 -13.671 1.00 0.00 H new ATOM 0 HG22 THR A 77 -0.593 12.975 -13.366 1.00 0.00 H new ATOM 0 HG23 THR A 77 -1.189 11.684 -14.437 1.00 0.00 H new ATOM 884 N PRO A 78 1.450 12.004 -11.116 1.00 0.00 N ATOM 885 CA PRO A 78 2.237 12.621 -10.039 1.00 0.00 C ATOM 886 C PRO A 78 1.353 13.211 -8.935 1.00 0.00 C ATOM 887 O PRO A 78 1.708 13.183 -7.765 1.00 0.00 O ATOM 888 CB PRO A 78 3.019 13.738 -10.747 1.00 0.00 C ATOM 889 CG PRO A 78 2.412 13.859 -12.105 1.00 0.00 C ATOM 890 CD PRO A 78 1.846 12.505 -12.428 1.00 0.00 C ATOM 0 HA PRO A 78 2.874 11.891 -9.540 1.00 0.00 H new ATOM 0 HB2 PRO A 78 2.942 14.677 -10.199 1.00 0.00 H new ATOM 0 HB3 PRO A 78 4.079 13.493 -10.813 1.00 0.00 H new ATOM 0 HG2 PRO A 78 1.632 14.621 -12.117 1.00 0.00 H new ATOM 0 HG3 PRO A 78 3.159 14.155 -12.841 1.00 0.00 H new ATOM 0 HD2 PRO A 78 0.998 12.572 -13.109 1.00 0.00 H new ATOM 0 HD3 PRO A 78 2.585 11.859 -12.902 1.00 0.00 H new ATOM 898 N ILE A 79 0.199 13.735 -9.337 1.00 0.00 N ATOM 899 CA ILE A 79 -0.735 14.333 -8.384 1.00 0.00 C ATOM 900 C ILE A 79 -2.163 14.315 -8.931 1.00 0.00 C ATOM 901 O ILE A 79 -2.677 15.355 -9.362 1.00 0.00 O ATOM 902 CB ILE A 79 -0.344 15.782 -8.031 1.00 0.00 C ATOM 903 CG1 ILE A 79 -0.145 16.598 -9.317 1.00 0.00 C ATOM 904 CG2 ILE A 79 0.916 15.793 -7.188 1.00 0.00 C ATOM 905 CD1 ILE A 79 -0.835 17.945 -9.272 1.00 0.00 C ATOM 0 H ILE A 79 -0.112 13.759 -10.308 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.687 13.730 -7.477 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.147 16.238 -7.452 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.922 16.747 -9.485 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.525 16.029 -10.165 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.182 16.822 -6.945 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.743 15.236 -6.267 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.730 15.329 -7.745 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.659 18.476 -10.208 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.906 17.801 -9.133 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.437 18.530 -8.443 1.00 0.00 H new ATOM 917 N ASN A 80 -2.791 13.146 -8.903 1.00 0.00 N ATOM 918 CA ASN A 80 -4.151 13.007 -9.404 1.00 0.00 C ATOM 919 C ASN A 80 -4.927 11.976 -8.591 1.00 0.00 C ATOM 920 O ASN A 80 -5.738 12.331 -7.732 1.00 0.00 O ATOM 921 CB ASN A 80 -4.144 12.614 -10.885 1.00 0.00 C ATOM 922 CG ASN A 80 -5.541 12.498 -11.454 1.00 0.00 C ATOM 923 OD1 ASN A 80 -5.970 11.411 -11.844 1.00 0.00 O ATOM 924 ND2 ASN A 80 -6.261 13.615 -11.508 1.00 0.00 N ATOM 0 H ASN A 80 -2.382 12.285 -8.540 1.00 0.00 H new ATOM 0 HA ASN A 80 -4.647 13.972 -9.301 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -3.583 13.356 -11.453 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -3.625 11.663 -11.004 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -7.209 13.593 -11.884 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -5.865 14.494 -11.174 1.00 0.00 H new ATOM 931 N PHE A 81 -4.670 10.701 -8.853 1.00 0.00 N ATOM 932 CA PHE A 81 -5.352 9.626 -8.141 1.00 0.00 C ATOM 933 C PHE A 81 -4.377 8.520 -7.750 1.00 0.00 C ATOM 934 O PHE A 81 -3.229 8.498 -8.195 1.00 0.00 O ATOM 935 CB PHE A 81 -6.472 9.044 -9.002 1.00 0.00 C ATOM 936 CG PHE A 81 -7.809 9.686 -8.761 1.00 0.00 C ATOM 937 CD1 PHE A 81 -8.561 9.354 -7.646 1.00 0.00 C ATOM 938 CD2 PHE A 81 -8.315 10.622 -9.649 1.00 0.00 C ATOM 939 CE1 PHE A 81 -9.791 9.942 -7.421 1.00 0.00 C ATOM 940 CE2 PHE A 81 -9.546 11.218 -9.433 1.00 0.00 C ATOM 941 CZ PHE A 81 -10.286 10.878 -8.318 1.00 0.00 C ATOM 0 H PHE A 81 -3.996 10.386 -9.551 1.00 0.00 H new ATOM 0 HA PHE A 81 -5.779 10.048 -7.231 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -6.208 9.158 -10.053 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -6.551 7.975 -8.807 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -8.181 8.627 -6.944 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -7.740 10.891 -10.523 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -10.367 9.673 -6.548 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -9.926 11.946 -10.134 1.00 0.00 H new ATOM 0 HZ PHE A 81 -11.247 11.339 -8.144 1.00 0.00 H new ATOM 951 N LEU A 82 -4.846 7.597 -6.915 1.00 0.00 N ATOM 952 CA LEU A 82 -4.028 6.483 -6.465 1.00 0.00 C ATOM 953 C LEU A 82 -4.693 5.158 -6.825 1.00 0.00 C ATOM 954 O LEU A 82 -5.847 4.918 -6.467 1.00 0.00 O ATOM 955 CB LEU A 82 -3.804 6.570 -4.952 1.00 0.00 C ATOM 956 CG LEU A 82 -2.684 5.679 -4.400 1.00 0.00 C ATOM 957 CD1 LEU A 82 -3.012 4.210 -4.608 1.00 0.00 C ATOM 958 CD2 LEU A 82 -1.352 6.031 -5.050 1.00 0.00 C ATOM 0 H LEU A 82 -5.793 7.602 -6.537 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.061 6.534 -6.966 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.582 7.605 -4.694 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.735 6.308 -4.448 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.601 5.859 -3.328 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.204 3.597 -4.209 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.941 3.968 -4.091 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.127 4.010 -5.673 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.569 5.389 -4.646 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.423 5.883 -6.128 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -1.110 7.073 -4.842 1.00 0.00 H new ATOM 970 N CYS A 83 -3.964 4.300 -7.536 1.00 0.00 N ATOM 971 CA CYS A 83 -4.496 3.005 -7.947 1.00 0.00 C ATOM 972 C CYS A 83 -3.836 1.867 -7.176 1.00 0.00 C ATOM 973 O CYS A 83 -2.615 1.738 -7.173 1.00 0.00 O ATOM 974 CB CYS A 83 -4.296 2.803 -9.452 1.00 0.00 C ATOM 975 SG CYS A 83 -5.709 3.310 -10.461 1.00 0.00 S ATOM 0 H CYS A 83 -3.006 4.479 -7.838 1.00 0.00 H new ATOM 0 HA CYS A 83 -5.563 2.994 -7.723 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -3.417 3.364 -9.769 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -4.087 1.750 -9.642 1.00 0.00 H new ATOM 0 HG CYS A 83 -5.443 3.102 -11.716 1.00 0.00 H new ATOM 981 N ILE A 84 -4.659 1.050 -6.531 1.00 0.00 N ATOM 982 CA ILE A 84 -4.150 -0.082 -5.756 1.00 0.00 C ATOM 983 C ILE A 84 -4.883 -1.368 -6.127 1.00 0.00 C ATOM 984 O ILE A 84 -6.071 -1.523 -5.847 1.00 0.00 O ATOM 985 CB ILE A 84 -4.274 0.185 -4.237 1.00 0.00 C ATOM 986 CG1 ILE A 84 -3.016 0.905 -3.731 1.00 0.00 C ATOM 987 CG2 ILE A 84 -4.514 -1.110 -3.466 1.00 0.00 C ATOM 988 CD1 ILE A 84 -2.157 0.074 -2.812 1.00 0.00 C ATOM 0 H ILE A 84 -5.674 1.146 -6.527 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.094 -0.202 -5.999 1.00 0.00 H new ATOM 0 HB ILE A 84 -5.138 0.827 -4.066 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.418 1.214 -4.588 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.316 1.813 -3.208 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.597 -0.890 -2.402 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -5.437 -1.575 -3.813 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.680 -1.792 -3.632 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -1.290 0.656 -2.500 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -2.736 -0.214 -1.934 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.824 -0.822 -3.336 1.00 0.00 H new ATOM 1000 N PHE A 85 -4.154 -2.292 -6.746 1.00 0.00 N ATOM 1001 CA PHE A 85 -4.723 -3.571 -7.148 1.00 0.00 C ATOM 1002 C PHE A 85 -4.020 -4.704 -6.412 1.00 0.00 C ATOM 1003 O PHE A 85 -2.841 -4.963 -6.639 1.00 0.00 O ATOM 1004 CB PHE A 85 -4.589 -3.771 -8.657 1.00 0.00 C ATOM 1005 CG PHE A 85 -5.325 -2.740 -9.463 1.00 0.00 C ATOM 1006 CD1 PHE A 85 -4.702 -1.559 -9.841 1.00 0.00 C ATOM 1007 CD2 PHE A 85 -6.640 -2.951 -9.840 1.00 0.00 C ATOM 1008 CE1 PHE A 85 -5.377 -0.610 -10.582 1.00 0.00 C ATOM 1009 CE2 PHE A 85 -7.323 -1.997 -10.587 1.00 0.00 C ATOM 1010 CZ PHE A 85 -6.689 -0.830 -10.955 1.00 0.00 C ATOM 0 H PHE A 85 -3.168 -2.177 -6.979 1.00 0.00 H new ATOM 0 HA PHE A 85 -5.782 -3.575 -6.891 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -3.533 -3.747 -8.927 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -4.962 -4.761 -8.919 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -3.677 -1.380 -9.552 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -7.140 -3.864 -9.552 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -4.880 0.304 -10.870 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -8.348 -2.170 -10.878 1.00 0.00 H new ATOM 0 HZ PHE A 85 -7.218 -0.088 -11.535 1.00 0.00 H new ATOM 1020 N ILE A 86 -4.746 -5.367 -5.518 1.00 0.00 N ATOM 1021 CA ILE A 86 -4.179 -6.462 -4.741 1.00 0.00 C ATOM 1022 C ILE A 86 -4.595 -7.826 -5.302 1.00 0.00 C ATOM 1023 O ILE A 86 -5.701 -8.301 -5.042 1.00 0.00 O ATOM 1024 CB ILE A 86 -4.601 -6.369 -3.257 1.00 0.00 C ATOM 1025 CG1 ILE A 86 -4.109 -7.591 -2.474 1.00 0.00 C ATOM 1026 CG2 ILE A 86 -6.111 -6.227 -3.137 1.00 0.00 C ATOM 1027 CD1 ILE A 86 -4.460 -7.551 -1.003 1.00 0.00 C ATOM 0 H ILE A 86 -5.725 -5.166 -5.314 1.00 0.00 H new ATOM 0 HA ILE A 86 -3.095 -6.371 -4.812 1.00 0.00 H new ATOM 0 HB ILE A 86 -4.138 -5.481 -2.827 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -4.536 -8.491 -2.916 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -3.027 -7.667 -2.579 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -6.388 -6.163 -2.085 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -6.434 -5.322 -3.653 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.595 -7.094 -3.588 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -4.080 -8.448 -0.514 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -4.010 -6.670 -0.545 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -5.543 -7.507 -0.888 1.00 0.00 H new ATOM 1039 N PRO A 87 -3.710 -8.482 -6.080 1.00 0.00 N ATOM 1040 CA PRO A 87 -3.995 -9.790 -6.663 1.00 0.00 C ATOM 1041 C PRO A 87 -3.665 -10.927 -5.709 1.00 0.00 C ATOM 1042 O PRO A 87 -2.549 -11.020 -5.197 1.00 0.00 O ATOM 1043 CB PRO A 87 -3.074 -9.828 -7.873 1.00 0.00 C ATOM 1044 CG PRO A 87 -1.886 -9.018 -7.471 1.00 0.00 C ATOM 1045 CD PRO A 87 -2.365 -8.007 -6.455 1.00 0.00 C ATOM 0 HA PRO A 87 -5.051 -9.918 -6.903 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -2.790 -10.850 -8.123 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -3.560 -9.408 -8.754 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -1.111 -9.655 -7.045 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -1.449 -8.519 -8.336 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -1.702 -7.966 -5.591 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -2.401 -7.003 -6.878 1.00 0.00 H new ATOM 1053 N THR A 88 -4.640 -11.790 -5.470 1.00 0.00 N ATOM 1054 CA THR A 88 -4.446 -12.920 -4.571 1.00 0.00 C ATOM 1055 C THR A 88 -5.522 -13.983 -4.782 1.00 0.00 C ATOM 1056 O THR A 88 -6.707 -13.672 -4.898 1.00 0.00 O ATOM 1057 CB THR A 88 -4.447 -12.437 -3.118 1.00 0.00 C ATOM 1058 OG1 THR A 88 -4.217 -13.519 -2.228 1.00 0.00 O ATOM 1059 CG2 THR A 88 -5.742 -11.762 -2.711 1.00 0.00 C ATOM 0 H THR A 88 -5.571 -11.731 -5.883 1.00 0.00 H new ATOM 0 HA THR A 88 -3.481 -13.375 -4.794 1.00 0.00 H new ATOM 0 HB THR A 88 -3.644 -11.703 -3.056 1.00 0.00 H new ATOM 0 HG1 THR A 88 -4.897 -13.512 -1.522 1.00 0.00 H new ATOM 0 HG21 THR A 88 -5.675 -11.444 -1.670 1.00 0.00 H new ATOM 0 HG22 THR A 88 -5.914 -10.893 -3.346 1.00 0.00 H new ATOM 0 HG23 THR A 88 -6.569 -12.463 -2.824 1.00 0.00 H new ATOM 1067 N LEU A 89 -5.096 -15.242 -4.835 1.00 0.00 N ATOM 1068 CA LEU A 89 -6.016 -16.359 -5.038 1.00 0.00 C ATOM 1069 C LEU A 89 -7.075 -16.419 -3.939 1.00 0.00 C ATOM 1070 O LEU A 89 -8.123 -17.041 -4.112 1.00 0.00 O ATOM 1071 CB LEU A 89 -5.242 -17.678 -5.084 1.00 0.00 C ATOM 1072 CG LEU A 89 -5.989 -18.845 -5.736 1.00 0.00 C ATOM 1073 CD1 LEU A 89 -5.538 -19.030 -7.177 1.00 0.00 C ATOM 1074 CD2 LEU A 89 -5.778 -20.126 -4.941 1.00 0.00 C ATOM 0 H LEU A 89 -4.118 -15.515 -4.740 1.00 0.00 H new ATOM 0 HA LEU A 89 -6.524 -16.202 -5.990 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.310 -17.516 -5.625 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.975 -17.961 -4.066 1.00 0.00 H new ATOM 0 HG LEU A 89 -7.054 -18.613 -5.737 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -6.080 -19.864 -7.624 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.742 -18.120 -7.742 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.468 -19.239 -7.200 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -6.316 -20.944 -5.420 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.714 -20.362 -4.907 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.152 -19.990 -3.926 1.00 0.00 H new ATOM 1086 N PHE A 90 -6.794 -15.774 -2.809 1.00 0.00 N ATOM 1087 CA PHE A 90 -7.721 -15.759 -1.682 1.00 0.00 C ATOM 1088 C PHE A 90 -7.895 -17.159 -1.103 1.00 0.00 C ATOM 1089 O PHE A 90 -8.122 -18.123 -1.833 1.00 0.00 O ATOM 1090 CB PHE A 90 -9.078 -15.184 -2.107 1.00 0.00 C ATOM 1091 CG PHE A 90 -10.163 -15.356 -1.081 1.00 0.00 C ATOM 1092 CD1 PHE A 90 -10.298 -14.453 -0.038 1.00 0.00 C ATOM 1093 CD2 PHE A 90 -11.047 -16.420 -1.159 1.00 0.00 C ATOM 1094 CE1 PHE A 90 -11.295 -14.608 0.907 1.00 0.00 C ATOM 1095 CE2 PHE A 90 -12.046 -16.580 -0.218 1.00 0.00 C ATOM 1096 CZ PHE A 90 -12.170 -15.674 0.816 1.00 0.00 C ATOM 0 H PHE A 90 -5.931 -15.255 -2.650 1.00 0.00 H new ATOM 0 HA PHE A 90 -7.300 -15.118 -0.907 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -8.960 -14.122 -2.321 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -9.390 -15.664 -3.035 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -9.616 -13.619 0.037 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -10.954 -17.133 -1.965 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -11.390 -13.897 1.715 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -12.729 -17.413 -0.291 1.00 0.00 H new ATOM 0 HZ PHE A 90 -12.950 -15.798 1.553 1.00 0.00 H new ATOM 1106 N ASP A 91 -7.783 -17.256 0.217 1.00 0.00 N ATOM 1107 CA ASP A 91 -7.922 -18.531 0.914 1.00 0.00 C ATOM 1108 C ASP A 91 -7.657 -18.356 2.405 1.00 0.00 C ATOM 1109 O ASP A 91 -8.474 -18.739 3.242 1.00 0.00 O ATOM 1110 CB ASP A 91 -6.960 -19.570 0.332 1.00 0.00 C ATOM 1111 CG ASP A 91 -7.620 -20.920 0.129 1.00 0.00 C ATOM 1112 OD1 ASP A 91 -8.852 -20.954 -0.067 1.00 0.00 O ATOM 1113 OD2 ASP A 91 -6.904 -21.943 0.168 1.00 0.00 O ATOM 0 H ASP A 91 -7.595 -16.462 0.830 1.00 0.00 H new ATOM 0 HA ASP A 91 -8.944 -18.884 0.777 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -6.575 -19.210 -0.622 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -6.105 -19.683 0.999 1.00 0.00 H new ATOM 1118 N MET A 92 -6.509 -17.770 2.728 1.00 0.00 N ATOM 1119 CA MET A 92 -6.131 -17.536 4.116 1.00 0.00 C ATOM 1120 C MET A 92 -6.854 -16.316 4.679 1.00 0.00 C ATOM 1121 O MET A 92 -7.018 -16.184 5.892 1.00 0.00 O ATOM 1122 CB MET A 92 -4.616 -17.346 4.229 1.00 0.00 C ATOM 1123 CG MET A 92 -3.995 -18.100 5.394 1.00 0.00 C ATOM 1124 SD MET A 92 -4.746 -17.674 6.977 1.00 0.00 S ATOM 1125 CE MET A 92 -3.769 -16.248 7.443 1.00 0.00 C ATOM 0 H MET A 92 -5.823 -17.448 2.045 1.00 0.00 H new ATOM 0 HA MET A 92 -6.424 -18.409 4.699 1.00 0.00 H new ATOM 0 HB2 MET A 92 -4.146 -17.675 3.302 1.00 0.00 H new ATOM 0 HB3 MET A 92 -4.398 -16.283 4.337 1.00 0.00 H new ATOM 0 HG2 MET A 92 -4.098 -19.172 5.224 1.00 0.00 H new ATOM 0 HG3 MET A 92 -2.927 -17.885 5.433 1.00 0.00 H new ATOM 0 HE1 MET A 92 -3.950 -16.009 8.491 1.00 0.00 H new ATOM 0 HE2 MET A 92 -2.711 -16.469 7.299 1.00 0.00 H new ATOM 0 HE3 MET A 92 -4.050 -15.396 6.823 1.00 0.00 H new ATOM 1135 N ASN A 93 -7.288 -15.425 3.790 1.00 0.00 N ATOM 1136 CA ASN A 93 -7.995 -14.216 4.199 1.00 0.00 C ATOM 1137 C ASN A 93 -9.506 -14.420 4.140 1.00 0.00 C ATOM 1138 O ASN A 93 -10.264 -13.463 3.981 1.00 0.00 O ATOM 1139 CB ASN A 93 -7.593 -13.041 3.306 1.00 0.00 C ATOM 1140 CG ASN A 93 -6.159 -12.604 3.536 1.00 0.00 C ATOM 1141 OD1 ASN A 93 -5.783 -12.228 4.645 1.00 0.00 O ATOM 1142 ND2 ASN A 93 -5.351 -12.652 2.484 1.00 0.00 N ATOM 0 H ASN A 93 -7.162 -15.519 2.782 1.00 0.00 H new ATOM 0 HA ASN A 93 -7.718 -13.994 5.230 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -7.721 -13.322 2.261 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -8.261 -12.200 3.494 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -4.375 -12.370 2.577 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -5.706 -12.971 1.582 1.00 0.00 H new ATOM 1149 N ASN A 94 -9.939 -15.671 4.272 1.00 0.00 N ATOM 1150 CA ASN A 94 -11.362 -15.998 4.236 1.00 0.00 C ATOM 1151 C ASN A 94 -12.138 -15.207 5.287 1.00 0.00 C ATOM 1152 O ASN A 94 -13.349 -15.022 5.166 1.00 0.00 O ATOM 1153 CB ASN A 94 -11.566 -17.498 4.458 1.00 0.00 C ATOM 1154 CG ASN A 94 -12.684 -18.061 3.602 1.00 0.00 C ATOM 1155 OD1 ASN A 94 -12.549 -18.180 2.385 1.00 0.00 O ATOM 1156 ND2 ASN A 94 -13.795 -18.412 4.237 1.00 0.00 N ATOM 0 H ASN A 94 -9.325 -16.475 4.405 1.00 0.00 H new ATOM 0 HA ASN A 94 -11.744 -15.724 3.252 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -10.639 -18.025 4.233 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -11.790 -17.680 5.509 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -14.581 -18.798 3.714 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -13.863 -18.296 5.248 1.00 0.00 H new ATOM 1163 N MET A 95 -11.436 -14.741 6.318 1.00 0.00 N ATOM 1164 CA MET A 95 -12.067 -13.971 7.385 1.00 0.00 C ATOM 1165 C MET A 95 -12.062 -12.474 7.071 1.00 0.00 C ATOM 1166 O MET A 95 -12.311 -11.649 7.951 1.00 0.00 O ATOM 1167 CB MET A 95 -11.352 -14.225 8.713 1.00 0.00 C ATOM 1168 CG MET A 95 -11.405 -15.676 9.164 1.00 0.00 C ATOM 1169 SD MET A 95 -10.698 -15.918 10.805 1.00 0.00 S ATOM 1170 CE MET A 95 -9.028 -15.324 10.546 1.00 0.00 C ATOM 0 H MET A 95 -10.433 -14.883 6.436 1.00 0.00 H new ATOM 0 HA MET A 95 -13.104 -14.298 7.463 1.00 0.00 H new ATOM 0 HB2 MET A 95 -10.310 -13.920 8.619 1.00 0.00 H new ATOM 0 HB3 MET A 95 -11.800 -13.597 9.483 1.00 0.00 H new ATOM 0 HG2 MET A 95 -12.441 -16.015 9.165 1.00 0.00 H new ATOM 0 HG3 MET A 95 -10.868 -16.296 8.446 1.00 0.00 H new ATOM 0 HE1 MET A 95 -8.387 -15.678 11.353 1.00 0.00 H new ATOM 0 HE2 MET A 95 -8.652 -15.698 9.594 1.00 0.00 H new ATOM 0 HE3 MET A 95 -9.027 -14.234 10.533 1.00 0.00 H new ATOM 1180 N ASP A 96 -11.781 -12.128 5.817 1.00 0.00 N ATOM 1181 CA ASP A 96 -11.749 -10.730 5.400 1.00 0.00 C ATOM 1182 C ASP A 96 -10.718 -9.942 6.201 1.00 0.00 C ATOM 1183 O ASP A 96 -10.956 -9.580 7.353 1.00 0.00 O ATOM 1184 CB ASP A 96 -13.133 -10.097 5.563 1.00 0.00 C ATOM 1185 CG ASP A 96 -13.537 -9.271 4.357 1.00 0.00 C ATOM 1186 OD1 ASP A 96 -12.769 -8.362 3.976 1.00 0.00 O ATOM 1187 OD2 ASP A 96 -14.619 -9.533 3.793 1.00 0.00 O ATOM 0 H ASP A 96 -11.573 -12.795 5.074 1.00 0.00 H new ATOM 0 HA ASP A 96 -11.462 -10.698 4.349 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -13.872 -10.882 5.726 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -13.138 -9.465 6.451 1.00 0.00 H new ATOM 1192 N LEU A 97 -9.570 -9.680 5.582 1.00 0.00 N ATOM 1193 CA LEU A 97 -8.502 -8.932 6.236 1.00 0.00 C ATOM 1194 C LEU A 97 -8.170 -7.649 5.471 1.00 0.00 C ATOM 1195 O LEU A 97 -7.341 -6.853 5.913 1.00 0.00 O ATOM 1196 CB LEU A 97 -7.250 -9.804 6.365 1.00 0.00 C ATOM 1197 CG LEU A 97 -6.656 -9.878 7.773 1.00 0.00 C ATOM 1198 CD1 LEU A 97 -7.495 -10.787 8.658 1.00 0.00 C ATOM 1199 CD2 LEU A 97 -5.216 -10.365 7.720 1.00 0.00 C ATOM 0 H LEU A 97 -9.356 -9.975 4.629 1.00 0.00 H new ATOM 0 HA LEU A 97 -8.850 -8.651 7.230 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -7.494 -10.814 6.036 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -6.488 -9.423 5.685 1.00 0.00 H new ATOM 0 HG LEU A 97 -6.664 -8.876 8.203 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -7.058 -10.828 9.656 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -8.510 -10.396 8.722 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -7.519 -11.790 8.231 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -4.810 -10.411 8.731 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.184 -11.357 7.270 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.621 -9.676 7.121 1.00 0.00 H new ATOM 1211 N LEU A 98 -8.818 -7.452 4.325 1.00 0.00 N ATOM 1212 CA LEU A 98 -8.587 -6.264 3.510 1.00 0.00 C ATOM 1213 C LEU A 98 -9.017 -4.994 4.245 1.00 0.00 C ATOM 1214 O LEU A 98 -8.641 -3.888 3.859 1.00 0.00 O ATOM 1215 CB LEU A 98 -9.341 -6.378 2.183 1.00 0.00 C ATOM 1216 CG LEU A 98 -8.559 -7.039 1.048 1.00 0.00 C ATOM 1217 CD1 LEU A 98 -7.230 -6.330 0.831 1.00 0.00 C ATOM 1218 CD2 LEU A 98 -8.335 -8.515 1.345 1.00 0.00 C ATOM 0 H LEU A 98 -9.506 -8.100 3.941 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.517 -6.197 3.312 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -10.257 -6.945 2.351 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -9.638 -5.379 1.865 1.00 0.00 H new ATOM 0 HG LEU A 98 -9.145 -6.957 0.133 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -6.687 -6.815 0.019 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -7.412 -5.287 0.574 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.637 -6.380 1.744 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -7.777 -8.970 0.527 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -7.770 -8.618 2.271 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -9.298 -9.015 1.450 1.00 0.00 H new ATOM 1230 N LYS A 99 -9.809 -5.160 5.302 1.00 0.00 N ATOM 1231 CA LYS A 99 -10.292 -4.027 6.086 1.00 0.00 C ATOM 1232 C LYS A 99 -9.140 -3.126 6.531 1.00 0.00 C ATOM 1233 O LYS A 99 -9.339 -1.944 6.786 1.00 0.00 O ATOM 1234 CB LYS A 99 -11.066 -4.523 7.309 1.00 0.00 C ATOM 1235 CG LYS A 99 -12.576 -4.495 7.124 1.00 0.00 C ATOM 1236 CD LYS A 99 -13.248 -3.578 8.135 1.00 0.00 C ATOM 1237 CE LYS A 99 -13.885 -4.368 9.266 1.00 0.00 C ATOM 1238 NZ LYS A 99 -15.284 -4.766 8.947 1.00 0.00 N ATOM 0 H LYS A 99 -10.130 -6.069 5.635 1.00 0.00 H new ATOM 0 HA LYS A 99 -10.956 -3.441 5.451 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -10.755 -5.542 7.537 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -10.802 -3.909 8.170 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -12.813 -4.160 6.114 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -12.974 -5.504 7.227 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -12.513 -2.884 8.543 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -14.009 -2.979 7.635 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -13.291 -5.260 9.466 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -13.877 -3.769 10.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -15.682 -5.303 9.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -15.858 -3.915 8.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -15.290 -5.359 8.093 1.00 0.00 H new ATOM 1252 N GLN A 100 -7.939 -3.691 6.617 1.00 0.00 N ATOM 1253 CA GLN A 100 -6.768 -2.931 7.029 1.00 0.00 C ATOM 1254 C GLN A 100 -6.344 -1.962 5.933 1.00 0.00 C ATOM 1255 O GLN A 100 -5.856 -0.872 6.201 1.00 0.00 O ATOM 1256 CB GLN A 100 -5.615 -3.878 7.367 1.00 0.00 C ATOM 1257 CG GLN A 100 -4.744 -3.384 8.515 1.00 0.00 C ATOM 1258 CD GLN A 100 -3.296 -3.806 8.374 1.00 0.00 C ATOM 1259 OE1 GLN A 100 -2.797 -3.992 7.265 1.00 0.00 O ATOM 1260 NE2 GLN A 100 -2.613 -3.965 9.496 1.00 0.00 N ATOM 0 H GLN A 100 -7.754 -4.672 6.407 1.00 0.00 H new ATOM 0 HA GLN A 100 -7.027 -2.356 7.918 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -6.021 -4.856 7.624 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -4.994 -4.013 6.481 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -4.798 -2.296 8.565 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -5.139 -3.766 9.456 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -3.065 -3.800 10.396 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -1.635 -4.252 9.461 1.00 0.00 H new ATOM 1269 N ALA A 101 -6.543 -2.378 4.690 1.00 0.00 N ATOM 1270 CA ALA A 101 -6.192 -1.560 3.538 1.00 0.00 C ATOM 1271 C ALA A 101 -7.277 -0.528 3.252 1.00 0.00 C ATOM 1272 O ALA A 101 -6.989 0.610 2.888 1.00 0.00 O ATOM 1273 CB ALA A 101 -5.971 -2.452 2.326 1.00 0.00 C ATOM 0 H ALA A 101 -6.948 -3.283 4.453 1.00 0.00 H new ATOM 0 HA ALA A 101 -5.270 -1.022 3.758 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -5.708 -1.837 1.465 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -5.162 -3.152 2.532 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.884 -3.006 2.111 1.00 0.00 H new ATOM 1279 N LEU A 102 -8.531 -0.943 3.411 1.00 0.00 N ATOM 1280 CA LEU A 102 -9.670 -0.065 3.166 1.00 0.00 C ATOM 1281 C LEU A 102 -9.782 1.014 4.231 1.00 0.00 C ATOM 1282 O LEU A 102 -10.234 2.126 3.954 1.00 0.00 O ATOM 1283 CB LEU A 102 -10.963 -0.884 3.111 1.00 0.00 C ATOM 1284 CG LEU A 102 -12.203 -0.119 2.639 1.00 0.00 C ATOM 1285 CD1 LEU A 102 -12.711 0.801 3.738 1.00 0.00 C ATOM 1286 CD2 LEU A 102 -11.895 0.664 1.376 1.00 0.00 C ATOM 0 H LEU A 102 -8.784 -1.885 3.709 1.00 0.00 H new ATOM 0 HA LEU A 102 -9.512 0.427 2.206 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -10.807 -1.735 2.448 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -11.161 -1.287 4.104 1.00 0.00 H new ATOM 0 HG LEU A 102 -12.989 -0.839 2.409 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -13.592 1.337 3.386 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -12.973 0.210 4.615 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -11.933 1.517 4.002 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -12.787 1.202 1.055 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -11.094 1.376 1.576 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -11.582 -0.023 0.589 1.00 0.00 H new ATOM 1298 N LEU A 103 -9.372 0.689 5.453 1.00 0.00 N ATOM 1299 CA LEU A 103 -9.432 1.652 6.558 1.00 0.00 C ATOM 1300 C LEU A 103 -8.265 2.623 6.494 1.00 0.00 C ATOM 1301 O LEU A 103 -8.440 3.830 6.668 1.00 0.00 O ATOM 1302 CB LEU A 103 -9.439 0.924 7.904 1.00 0.00 C ATOM 1303 CG LEU A 103 -10.829 0.691 8.505 1.00 0.00 C ATOM 1304 CD1 LEU A 103 -11.279 -0.738 8.281 1.00 0.00 C ATOM 1305 CD2 LEU A 103 -10.828 1.019 9.990 1.00 0.00 C ATOM 0 H LEU A 103 -8.997 -0.225 5.707 1.00 0.00 H new ATOM 0 HA LEU A 103 -10.358 2.219 6.461 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -8.946 -0.040 7.781 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -8.844 1.498 8.614 1.00 0.00 H new ATOM 0 HG LEU A 103 -11.533 1.354 8.002 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -12.268 -0.880 8.716 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -11.320 -0.943 7.211 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -10.573 -1.420 8.754 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -11.823 0.848 10.401 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -10.109 0.381 10.503 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -10.552 2.064 10.132 1.00 0.00 H new ATOM 1317 N ILE A 104 -7.066 2.101 6.257 1.00 0.00 N ATOM 1318 CA ILE A 104 -5.870 2.927 6.179 1.00 0.00 C ATOM 1319 C ILE A 104 -6.007 3.994 5.094 1.00 0.00 C ATOM 1320 O ILE A 104 -5.571 5.131 5.278 1.00 0.00 O ATOM 1321 CB ILE A 104 -4.613 2.077 5.903 1.00 0.00 C ATOM 1322 CG1 ILE A 104 -3.362 2.958 5.908 1.00 0.00 C ATOM 1323 CG2 ILE A 104 -4.744 1.344 4.578 1.00 0.00 C ATOM 1324 CD1 ILE A 104 -3.169 3.726 7.198 1.00 0.00 C ATOM 0 H ILE A 104 -6.898 1.105 6.115 1.00 0.00 H new ATOM 0 HA ILE A 104 -5.758 3.414 7.148 1.00 0.00 H new ATOM 0 HB ILE A 104 -4.517 1.336 6.696 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -2.487 2.333 5.732 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -3.421 3.664 5.080 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -3.848 0.750 4.401 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -5.614 0.688 4.610 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -4.865 2.068 3.772 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -2.263 4.329 7.131 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -4.027 4.377 7.366 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -3.078 3.026 8.028 1.00 0.00 H new ATOM 1336 N LEU A 105 -6.608 3.630 3.972 1.00 0.00 N ATOM 1337 CA LEU A 105 -6.793 4.561 2.868 1.00 0.00 C ATOM 1338 C LEU A 105 -7.914 5.556 3.172 1.00 0.00 C ATOM 1339 O LEU A 105 -7.813 6.740 2.849 1.00 0.00 O ATOM 1340 CB LEU A 105 -7.088 3.821 1.567 1.00 0.00 C ATOM 1341 CG LEU A 105 -8.315 2.900 1.591 1.00 0.00 C ATOM 1342 CD1 LEU A 105 -9.594 3.700 1.417 1.00 0.00 C ATOM 1343 CD2 LEU A 105 -8.200 1.835 0.514 1.00 0.00 C ATOM 0 H LEU A 105 -6.977 2.695 3.801 1.00 0.00 H new ATOM 0 HA LEU A 105 -5.861 5.113 2.747 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -7.224 4.557 0.774 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -6.214 3.225 1.303 1.00 0.00 H new ATOM 0 HG LEU A 105 -8.353 2.407 2.562 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -10.450 3.026 1.437 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -9.683 4.424 2.227 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -9.568 4.225 0.462 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -9.078 1.190 0.545 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -8.134 2.312 -0.464 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -7.305 1.237 0.687 1.00 0.00 H new ATOM 1355 N HIS A 106 -8.976 5.070 3.804 1.00 0.00 N ATOM 1356 CA HIS A 106 -10.112 5.912 4.151 1.00 0.00 C ATOM 1357 C HIS A 106 -9.761 6.858 5.292 1.00 0.00 C ATOM 1358 O HIS A 106 -9.825 8.079 5.143 1.00 0.00 O ATOM 1359 CB HIS A 106 -11.317 5.053 4.539 1.00 0.00 C ATOM 1360 CG HIS A 106 -12.636 5.660 4.160 1.00 0.00 C ATOM 1361 ND1 HIS A 106 -13.699 5.745 5.035 1.00 0.00 N ATOM 1362 CD2 HIS A 106 -13.054 6.216 3.006 1.00 0.00 C ATOM 1363 CE1 HIS A 106 -14.718 6.333 4.430 1.00 0.00 C ATOM 1364 NE2 HIS A 106 -14.355 6.628 3.192 1.00 0.00 N ATOM 0 H HIS A 106 -9.073 4.095 4.087 1.00 0.00 H new ATOM 0 HA HIS A 106 -10.368 6.507 3.274 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -11.225 4.077 4.062 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -11.300 4.884 5.616 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -12.475 6.320 2.100 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -15.682 6.538 4.871 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -14.941 7.084 2.493 1.00 0.00 H new ATOM 1373 N ASN A 107 -9.388 6.286 6.438 1.00 0.00 N ATOM 1374 CA ASN A 107 -9.028 7.082 7.608 1.00 0.00 C ATOM 1375 C ASN A 107 -7.960 8.109 7.262 1.00 0.00 C ATOM 1376 O ASN A 107 -7.944 9.207 7.819 1.00 0.00 O ATOM 1377 CB ASN A 107 -8.530 6.170 8.726 1.00 0.00 C ATOM 1378 CG ASN A 107 -9.654 5.688 9.623 1.00 0.00 C ATOM 1379 OD1 ASN A 107 -10.450 6.489 10.124 1.00 0.00 O ATOM 1380 ND2 ASN A 107 -9.720 4.385 9.841 1.00 0.00 N ATOM 0 H ASN A 107 -9.328 5.278 6.579 1.00 0.00 H new ATOM 0 HA ASN A 107 -9.918 7.614 7.945 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -8.022 5.310 8.290 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -7.794 6.704 9.326 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -10.450 4.005 10.444 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -9.041 3.760 9.406 1.00 0.00 H new ATOM 1387 N ASP A 108 -7.073 7.756 6.337 1.00 0.00 N ATOM 1388 CA ASP A 108 -6.006 8.660 5.923 1.00 0.00 C ATOM 1389 C ASP A 108 -6.575 9.887 5.222 1.00 0.00 C ATOM 1390 O ASP A 108 -6.430 11.004 5.699 1.00 0.00 O ATOM 1391 CB ASP A 108 -5.022 7.935 5.001 1.00 0.00 C ATOM 1392 CG ASP A 108 -3.888 8.825 4.541 1.00 0.00 C ATOM 1393 OD1 ASP A 108 -4.167 9.857 3.888 1.00 0.00 O ATOM 1394 OD2 ASP A 108 -2.718 8.500 4.837 1.00 0.00 O ATOM 0 H ASP A 108 -7.072 6.854 5.861 1.00 0.00 H new ATOM 0 HA ASP A 108 -5.476 8.990 6.816 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -4.611 7.071 5.523 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -5.558 7.557 4.130 1.00 0.00 H new ATOM 1399 N LEU A 109 -7.226 9.664 4.085 1.00 0.00 N ATOM 1400 CA LEU A 109 -7.819 10.746 3.320 1.00 0.00 C ATOM 1401 C LEU A 109 -8.975 11.395 4.083 1.00 0.00 C ATOM 1402 O LEU A 109 -9.339 12.538 3.824 1.00 0.00 O ATOM 1403 CB LEU A 109 -8.318 10.240 1.964 1.00 0.00 C ATOM 1404 CG LEU A 109 -8.916 11.303 1.054 1.00 0.00 C ATOM 1405 CD1 LEU A 109 -7.822 12.081 0.335 1.00 0.00 C ATOM 1406 CD2 LEU A 109 -9.862 10.666 0.041 1.00 0.00 C ATOM 0 H LEU A 109 -7.355 8.739 3.675 1.00 0.00 H new ATOM 0 HA LEU A 109 -7.044 11.496 3.159 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -7.486 9.765 1.443 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -9.068 9.468 2.136 1.00 0.00 H new ATOM 0 HG LEU A 109 -9.481 11.999 1.673 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -8.275 12.835 -0.309 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -7.180 12.569 1.069 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -7.227 11.397 -0.270 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -10.281 11.440 -0.602 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -9.313 9.947 -0.567 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -10.669 10.156 0.567 1.00 0.00 H new ATOM 1418 N HIS A 110 -9.544 10.656 5.028 1.00 0.00 N ATOM 1419 CA HIS A 110 -10.658 11.149 5.827 1.00 0.00 C ATOM 1420 C HIS A 110 -10.266 12.406 6.601 1.00 0.00 C ATOM 1421 O HIS A 110 -10.756 13.494 6.320 1.00 0.00 O ATOM 1422 CB HIS A 110 -11.145 10.071 6.793 1.00 0.00 C ATOM 1423 CG HIS A 110 -12.347 10.475 7.589 1.00 0.00 C ATOM 1424 ND1 HIS A 110 -13.497 10.976 7.013 1.00 0.00 N ATOM 1425 CD2 HIS A 110 -12.576 10.463 8.925 1.00 0.00 C ATOM 1426 CE1 HIS A 110 -14.381 11.236 7.957 1.00 0.00 C ATOM 1427 NE2 HIS A 110 -13.849 10.940 9.123 1.00 0.00 N ATOM 0 H HIS A 110 -9.250 9.707 5.260 1.00 0.00 H new ATOM 0 HA HIS A 110 -11.469 11.404 5.145 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -11.381 9.169 6.228 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -10.336 9.816 7.477 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -11.887 10.139 9.691 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -15.375 11.627 7.799 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -14.307 11.047 10.028 1.00 0.00 H new ATOM 1436 N GLU A 111 -9.383 12.239 7.591 1.00 0.00 N ATOM 1437 CA GLU A 111 -8.942 13.361 8.405 1.00 0.00 C ATOM 1438 C GLU A 111 -7.760 14.081 7.764 1.00 0.00 C ATOM 1439 O GLU A 111 -7.867 15.251 7.387 1.00 0.00 O ATOM 1440 CB GLU A 111 -8.555 12.871 9.806 1.00 0.00 C ATOM 1441 CG GLU A 111 -8.515 13.986 10.844 1.00 0.00 C ATOM 1442 CD GLU A 111 -8.471 13.451 12.257 1.00 0.00 C ATOM 1443 OE1 GLU A 111 -7.365 13.090 12.725 1.00 0.00 O ATOM 1444 OE2 GLU A 111 -9.532 13.395 12.914 1.00 0.00 O ATOM 0 H GLU A 111 -8.966 11.342 7.842 1.00 0.00 H new ATOM 0 HA GLU A 111 -9.769 14.067 8.481 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -9.267 12.110 10.127 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -7.577 12.392 9.759 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -7.641 14.613 10.668 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -9.392 14.622 10.725 1.00 0.00 H new ATOM 1451 N TYR A 112 -6.629 13.392 7.654 1.00 0.00 N ATOM 1452 CA TYR A 112 -5.423 13.968 7.059 1.00 0.00 C ATOM 1453 C TYR A 112 -4.214 13.074 7.301 1.00 0.00 C ATOM 1454 O TYR A 112 -3.564 12.625 6.359 1.00 0.00 O ATOM 1455 CB TYR A 112 -5.156 15.368 7.641 1.00 0.00 C ATOM 1456 CG TYR A 112 -5.303 16.474 6.625 1.00 0.00 C ATOM 1457 CD1 TYR A 112 -4.580 16.464 5.441 1.00 0.00 C ATOM 1458 CD2 TYR A 112 -6.157 17.544 6.865 1.00 0.00 C ATOM 1459 CE1 TYR A 112 -4.712 17.480 4.511 1.00 0.00 C ATOM 1460 CE2 TYR A 112 -6.294 18.559 5.938 1.00 0.00 C ATOM 1461 CZ TYR A 112 -5.568 18.534 4.768 1.00 0.00 C ATOM 1462 OH TYR A 112 -5.701 19.542 3.846 1.00 0.00 O ATOM 0 H TYR A 112 -6.520 12.428 7.970 1.00 0.00 H new ATOM 0 HA TYR A 112 -5.586 14.049 5.984 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -5.845 15.548 8.466 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -4.148 15.396 8.055 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -3.901 15.648 5.241 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -6.720 17.582 7.786 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -4.149 17.449 3.590 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -6.974 19.376 6.132 1.00 0.00 H new ATOM 0 HH TYR A 112 -6.341 20.206 4.177 1.00 0.00 H new ATOM 1472 N VAL A 113 -3.918 12.823 8.576 1.00 0.00 N ATOM 1473 CA VAL A 113 -2.787 11.986 8.962 1.00 0.00 C ATOM 1474 C VAL A 113 -1.537 12.317 8.146 1.00 0.00 C ATOM 1475 O VAL A 113 -0.772 11.423 7.769 1.00 0.00 O ATOM 1476 CB VAL A 113 -3.121 10.484 8.803 1.00 0.00 C ATOM 1477 CG1 VAL A 113 -3.378 10.139 7.351 1.00 0.00 C ATOM 1478 CG2 VAL A 113 -2.001 9.628 9.379 1.00 0.00 C ATOM 0 H VAL A 113 -4.452 13.192 9.363 1.00 0.00 H new ATOM 0 HA VAL A 113 -2.585 12.197 10.012 1.00 0.00 H new ATOM 0 HB VAL A 113 -4.033 10.273 9.361 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -3.611 9.078 7.265 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -4.219 10.726 6.981 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -2.490 10.365 6.761 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -2.251 8.574 9.260 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -1.071 9.843 8.852 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -1.878 9.854 10.438 1.00 0.00 H new ATOM 1488 N GLU A 114 -1.343 13.602 7.872 1.00 0.00 N ATOM 1489 CA GLU A 114 -0.187 14.046 7.105 1.00 0.00 C ATOM 1490 C GLU A 114 0.643 15.046 7.907 1.00 0.00 C ATOM 1491 O GLU A 114 1.875 14.979 7.911 1.00 0.00 O ATOM 1492 CB GLU A 114 -0.643 14.696 5.798 1.00 0.00 C ATOM 1493 CG GLU A 114 0.337 14.504 4.649 1.00 0.00 C ATOM 1494 CD GLU A 114 0.183 13.167 3.965 1.00 0.00 C ATOM 1495 OE1 GLU A 114 -0.901 12.912 3.394 1.00 0.00 O ATOM 1496 OE2 GLU A 114 1.143 12.361 3.994 1.00 0.00 O ATOM 0 H GLU A 114 -1.969 14.351 8.168 1.00 0.00 H new ATOM 0 HA GLU A 114 0.429 13.175 6.883 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -1.610 14.281 5.513 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -0.791 15.763 5.964 1.00 0.00 H new ATOM 0 HG2 GLU A 114 0.193 15.300 3.918 1.00 0.00 H new ATOM 0 HG3 GLU A 114 1.355 14.599 5.026 1.00 0.00 H new TER 1503 GLU A 114