USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 731 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 98 CYS SG : rot 111:sc= -1.79 USER MOD Set 1.2: A 118 MET CE :methyl -169:sc= -2.36 (180deg=-0.856) USER MOD Set 2.1: A 4 ASN : amide:sc= -0.557 X(o=-0.56,f=-0.17) USER MOD Set 2.2: A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 SER N :NH3+ -136:sc= 0.267 (180deg=0.00022) USER MOD Single : A 1 SER OG : rot 180:sc= 0.142 USER MOD Single : A 3 LYS NZ :NH3+ 173:sc= -0.727 (180deg=-0.874) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 TYR OH : rot 130:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.138 X(o=-0.14,f=-0.37) USER MOD Single : A 25 THR OG1 : rot -62:sc= 1.18 USER MOD Single : A 26 SER OG : rot 180:sc= 0.0857 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 43:sc= 0.11 USER MOD Single : A 99 GLN : amide:sc= -0.351 K(o=-0.35,f=-2.2!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 ASN :FLIP amide:sc= -0.672 F(o=-1.3,f=-0.67) USER MOD Single : A 109 ASN :FLIP amide:sc= 0.921 F(o=-0.2,f=0.92) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= -0.104 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 125 SER OG : rot 31:sc= 0.85 USER MOD Single : A 132 SER OG : rot 180:sc= 0.0153 USER MOD Single : A 133 GLN : amide:sc= -0.263 X(o=-0.26,f=-0.28) USER MOD Single : A 137 GLN : amide:sc= -0.338 X(o=-0.34,f=0) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ -156:sc= 0.0557 (180deg=0) USER MOD Single : A 148 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 149 THR OG1 : rot -44:sc= 0.968 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -3.571 13.691 -4.053 1.00 0.00 N ATOM 2 CA SER A 1 -3.207 12.403 -3.408 1.00 0.00 C ATOM 3 C SER A 1 -1.829 11.929 -3.860 1.00 0.00 C ATOM 4 O SER A 1 -1.683 11.358 -4.941 1.00 0.00 O ATOM 5 CB SER A 1 -4.267 11.361 -3.769 1.00 0.00 C ATOM 6 OG SER A 1 -4.786 11.588 -5.068 1.00 0.00 O ATOM 0 H1 SER A 1 -3.986 14.329 -3.344 1.00 0.00 H new ATOM 0 H2 SER A 1 -2.719 14.130 -4.457 1.00 0.00 H new ATOM 0 H3 SER A 1 -4.263 13.517 -4.810 1.00 0.00 H new ATOM 0 HA SER A 1 -3.168 12.543 -2.328 1.00 0.00 H new ATOM 0 HB2 SER A 1 -3.832 10.363 -3.717 1.00 0.00 H new ATOM 0 HB3 SER A 1 -5.077 11.394 -3.040 1.00 0.00 H new ATOM 0 HG SER A 1 -5.460 10.907 -5.275 1.00 0.00 H new ATOM 14 N ILE A 2 -0.824 12.168 -3.025 1.00 0.00 N ATOM 15 CA ILE A 2 0.541 11.765 -3.340 1.00 0.00 C ATOM 16 C ILE A 2 0.723 10.260 -3.172 1.00 0.00 C ATOM 17 O ILE A 2 1.525 9.640 -3.869 1.00 0.00 O ATOM 18 CB ILE A 2 1.564 12.497 -2.448 1.00 0.00 C ATOM 19 CG1 ILE A 2 1.285 14.000 -2.441 1.00 0.00 C ATOM 20 CG2 ILE A 2 2.981 12.216 -2.926 1.00 0.00 C ATOM 21 CD1 ILE A 2 2.166 14.773 -1.483 1.00 0.00 C ATOM 0 H ILE A 2 -0.929 12.638 -2.126 1.00 0.00 H new ATOM 0 HA ILE A 2 0.718 12.036 -4.381 1.00 0.00 H new ATOM 0 HB ILE A 2 1.466 12.125 -1.428 1.00 0.00 H new ATOM 0 HG12 ILE A 2 1.425 14.392 -3.448 1.00 0.00 H new ATOM 0 HG13 ILE A 2 0.241 14.166 -2.177 1.00 0.00 H new ATOM 0 HG21 ILE A 2 3.691 12.740 -2.286 1.00 0.00 H new ATOM 0 HG22 ILE A 2 3.174 11.144 -2.881 1.00 0.00 H new ATOM 0 HG23 ILE A 2 3.094 12.563 -3.953 1.00 0.00 H new ATOM 0 HD11 ILE A 2 1.913 15.832 -1.530 1.00 0.00 H new ATOM 0 HD12 ILE A 2 2.009 14.407 -0.468 1.00 0.00 H new ATOM 0 HD13 ILE A 2 3.211 14.637 -1.760 1.00 0.00 H new ATOM 33 N LYS A 3 -0.028 9.679 -2.241 1.00 0.00 N ATOM 34 CA LYS A 3 0.049 8.247 -1.983 1.00 0.00 C ATOM 35 C LYS A 3 -1.306 7.697 -1.549 1.00 0.00 C ATOM 36 O LYS A 3 -1.840 8.082 -0.508 1.00 0.00 O ATOM 37 CB LYS A 3 1.102 7.958 -0.908 1.00 0.00 C ATOM 38 CG LYS A 3 2.372 7.330 -1.458 1.00 0.00 C ATOM 39 CD LYS A 3 3.214 6.716 -0.351 1.00 0.00 C ATOM 40 CE LYS A 3 3.828 5.393 -0.784 1.00 0.00 C ATOM 41 NZ LYS A 3 4.667 5.543 -2.006 1.00 0.00 N ATOM 0 H LYS A 3 -0.696 10.178 -1.654 1.00 0.00 H new ATOM 0 HA LYS A 3 0.340 7.751 -2.909 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.356 8.888 -0.400 1.00 0.00 H new ATOM 0 HB3 LYS A 3 0.672 7.293 -0.159 1.00 0.00 H new ATOM 0 HG2 LYS A 3 2.113 6.563 -2.188 1.00 0.00 H new ATOM 0 HG3 LYS A 3 2.955 8.086 -1.983 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.005 7.410 -0.067 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.596 6.559 0.533 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.436 4.992 0.027 1.00 0.00 H new ATOM 0 HE3 LYS A 3 3.035 4.670 -0.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 5.161 4.649 -2.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 4.061 5.786 -2.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 5.366 6.299 -1.857 1.00 0.00 H new ATOM 55 N ASN A 4 -1.860 6.798 -2.355 1.00 0.00 N ATOM 56 CA ASN A 4 -3.153 6.194 -2.055 1.00 0.00 C ATOM 57 C ASN A 4 -3.118 4.689 -2.292 1.00 0.00 C ATOM 58 O ASN A 4 -2.775 4.229 -3.382 1.00 0.00 O ATOM 59 CB ASN A 4 -4.247 6.834 -2.913 1.00 0.00 C ATOM 60 CG ASN A 4 -4.011 6.632 -4.396 1.00 0.00 C ATOM 61 OD1 ASN A 4 -3.319 7.421 -5.040 1.00 0.00 O ATOM 62 ND2 ASN A 4 -4.586 5.570 -4.949 1.00 0.00 N ATOM 0 H ASN A 4 -1.433 6.471 -3.222 1.00 0.00 H new ATOM 0 HA ASN A 4 -3.375 6.371 -1.003 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -5.213 6.410 -2.641 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -4.296 7.901 -2.698 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -4.462 5.383 -5.944 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -5.152 4.941 -4.379 1.00 0.00 H new ATOM 69 N GLY A 5 -3.476 3.925 -1.266 1.00 0.00 N ATOM 70 CA GLY A 5 -3.478 2.478 -1.385 1.00 0.00 C ATOM 71 C GLY A 5 -4.280 1.807 -0.288 1.00 0.00 C ATOM 72 O GLY A 5 -5.174 2.416 0.299 1.00 0.00 O ATOM 0 H GLY A 5 -3.765 4.281 -0.355 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -3.889 2.197 -2.355 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -2.451 2.113 -1.356 1.00 0.00 H new ATOM 76 N ILE A 6 -3.958 0.547 -0.009 1.00 0.00 N ATOM 77 CA ILE A 6 -4.655 -0.208 1.025 1.00 0.00 C ATOM 78 C ILE A 6 -3.793 -0.358 2.273 1.00 0.00 C ATOM 79 O ILE A 6 -2.911 -1.215 2.331 1.00 0.00 O ATOM 80 CB ILE A 6 -5.056 -1.608 0.521 1.00 0.00 C ATOM 81 CG1 ILE A 6 -5.747 -1.509 -0.839 1.00 0.00 C ATOM 82 CG2 ILE A 6 -5.961 -2.295 1.533 1.00 0.00 C ATOM 83 CD1 ILE A 6 -7.048 -0.737 -0.799 1.00 0.00 C ATOM 0 H ILE A 6 -3.219 0.029 -0.485 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.555 0.354 1.275 1.00 0.00 H new ATOM 0 HB ILE A 6 -4.153 -2.207 0.403 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.071 -1.030 -1.547 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -5.941 -2.514 -1.213 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.236 -3.283 1.163 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.435 -2.396 2.482 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -6.862 -1.699 1.680 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -7.484 -0.706 -1.798 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -7.741 -1.227 -0.116 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -6.857 0.280 -0.455 1.00 0.00 H new ATOM 95 N LEU A 7 -4.054 0.481 3.270 1.00 0.00 N ATOM 96 CA LEU A 7 -3.302 0.441 4.518 1.00 0.00 C ATOM 97 C LEU A 7 -4.112 -0.238 5.618 1.00 0.00 C ATOM 98 O LEU A 7 -5.320 -0.032 5.731 1.00 0.00 O ATOM 99 CB LEU A 7 -2.914 1.858 4.949 1.00 0.00 C ATOM 100 CG LEU A 7 -1.496 2.286 4.567 1.00 0.00 C ATOM 101 CD1 LEU A 7 -0.469 1.527 5.392 1.00 0.00 C ATOM 102 CD2 LEU A 7 -1.255 2.068 3.080 1.00 0.00 C ATOM 0 H LEU A 7 -4.780 1.196 3.238 1.00 0.00 H new ATOM 0 HA LEU A 7 -2.395 -0.140 4.351 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.620 2.562 4.508 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.021 1.934 6.031 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.389 3.350 4.780 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.534 1.845 5.106 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.628 1.734 6.450 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.576 0.457 5.212 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.241 2.378 2.826 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.382 1.012 2.842 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -1.969 2.658 2.505 1.00 0.00 H new ATOM 114 N TYR A 8 -3.438 -1.051 6.425 1.00 0.00 N ATOM 115 CA TYR A 8 -4.094 -1.763 7.514 1.00 0.00 C ATOM 116 C TYR A 8 -4.277 -0.858 8.728 1.00 0.00 C ATOM 117 O TYR A 8 -3.400 -0.060 9.058 1.00 0.00 O ATOM 118 CB TYR A 8 -3.282 -3.000 7.905 1.00 0.00 C ATOM 119 CG TYR A 8 -3.523 -4.191 7.005 1.00 0.00 C ATOM 120 CD1 TYR A 8 -3.295 -4.111 5.636 1.00 0.00 C ATOM 121 CD2 TYR A 8 -3.977 -5.397 7.525 1.00 0.00 C ATOM 122 CE1 TYR A 8 -3.513 -5.198 4.812 1.00 0.00 C ATOM 123 CE2 TYR A 8 -4.197 -6.489 6.707 1.00 0.00 C ATOM 124 CZ TYR A 8 -3.964 -6.385 5.351 1.00 0.00 C ATOM 125 OH TYR A 8 -4.183 -7.469 4.534 1.00 0.00 O ATOM 0 H TYR A 8 -2.438 -1.233 6.345 1.00 0.00 H new ATOM 0 HA TYR A 8 -5.078 -2.076 7.166 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -2.221 -2.749 7.886 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -3.526 -3.275 8.931 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -2.942 -3.184 5.210 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -4.161 -5.482 8.586 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -3.331 -5.119 3.750 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -4.550 -7.419 7.127 1.00 0.00 H new ATOM 0 HH TYR A 8 -4.498 -8.225 5.072 1.00 0.00 H new ATOM 135 N LEU A 9 -5.423 -0.988 9.390 1.00 0.00 N ATOM 136 CA LEU A 9 -5.721 -0.184 10.569 1.00 0.00 C ATOM 137 C LEU A 9 -6.679 -0.921 11.499 1.00 0.00 C ATOM 138 O LEU A 9 -7.882 -0.984 11.245 1.00 0.00 O ATOM 139 CB LEU A 9 -6.323 1.160 10.157 1.00 0.00 C ATOM 140 CG LEU A 9 -6.599 2.127 11.312 1.00 0.00 C ATOM 141 CD1 LEU A 9 -6.177 3.541 10.940 1.00 0.00 C ATOM 142 CD2 LEU A 9 -8.071 2.093 11.696 1.00 0.00 C ATOM 0 H LEU A 9 -6.160 -1.643 9.129 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.788 -0.006 11.104 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -5.646 1.643 9.452 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -7.257 0.975 9.627 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.011 1.809 12.173 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.381 4.213 11.774 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.110 3.555 10.715 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.737 3.869 10.064 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.249 2.786 12.518 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -8.678 2.384 10.838 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.343 1.084 12.007 1.00 0.00 H new ATOM 154 N GLU A 10 -6.138 -1.481 12.575 1.00 0.00 N ATOM 155 CA GLU A 10 -6.943 -2.219 13.543 1.00 0.00 C ATOM 156 C GLU A 10 -7.835 -1.274 14.341 1.00 0.00 C ATOM 157 O GLU A 10 -7.514 -0.099 14.518 1.00 0.00 O ATOM 158 CB GLU A 10 -6.041 -3.011 14.489 1.00 0.00 C ATOM 159 CG GLU A 10 -5.122 -2.135 15.327 1.00 0.00 C ATOM 160 CD GLU A 10 -5.057 -2.577 16.776 1.00 0.00 C ATOM 161 OE1 GLU A 10 -6.113 -2.588 17.441 1.00 0.00 O ATOM 162 OE2 GLU A 10 -3.948 -2.914 17.244 1.00 0.00 O ATOM 0 H GLU A 10 -5.144 -1.438 12.800 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.580 -2.913 12.995 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.663 -3.611 15.153 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.436 -3.705 13.905 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.119 -2.154 14.900 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.469 -1.103 15.281 1.00 0.00 H new ATOM 169 N ASP A 11 -8.958 -1.798 14.825 1.00 0.00 N ATOM 170 CA ASP A 11 -9.897 -1.005 15.608 1.00 0.00 C ATOM 171 C ASP A 11 -9.952 -1.495 17.052 1.00 0.00 C ATOM 172 O ASP A 11 -9.732 -2.675 17.324 1.00 0.00 O ATOM 173 CB ASP A 11 -11.291 -1.064 14.982 1.00 0.00 C ATOM 174 CG ASP A 11 -11.539 0.074 14.011 1.00 0.00 C ATOM 175 OD1 ASP A 11 -11.200 1.226 14.348 1.00 0.00 O ATOM 176 OD2 ASP A 11 -12.073 -0.190 12.913 1.00 0.00 O ATOM 0 H ASP A 11 -9.239 -2.769 14.688 1.00 0.00 H new ATOM 0 HA ASP A 11 -9.550 0.028 15.608 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -11.413 -2.014 14.462 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -12.042 -1.034 15.771 1.00 0.00 H new ATOM 181 N PRO A 12 -10.248 -0.592 18.003 1.00 0.00 N ATOM 182 CA PRO A 12 -10.331 -0.940 19.425 1.00 0.00 C ATOM 183 C PRO A 12 -11.583 -1.746 19.758 1.00 0.00 C ATOM 184 O PRO A 12 -11.655 -2.394 20.802 1.00 0.00 O ATOM 185 CB PRO A 12 -10.374 0.422 20.117 1.00 0.00 C ATOM 186 CG PRO A 12 -10.983 1.336 19.111 1.00 0.00 C ATOM 187 CD PRO A 12 -10.524 0.839 17.765 1.00 0.00 C ATOM 0 HA PRO A 12 -9.499 -1.570 19.739 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -10.969 0.384 21.030 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -9.375 0.754 20.401 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -12.071 1.324 19.181 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -10.665 2.365 19.276 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -11.290 0.979 17.003 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -9.634 1.368 17.423 1.00 0.00 H new ATOM 195 N VAL A 13 -12.568 -1.704 18.866 1.00 0.00 N ATOM 196 CA VAL A 13 -13.816 -2.433 19.073 1.00 0.00 C ATOM 197 C VAL A 13 -13.613 -3.933 18.896 1.00 0.00 C ATOM 198 O VAL A 13 -14.038 -4.730 19.732 1.00 0.00 O ATOM 199 CB VAL A 13 -14.936 -1.964 18.117 1.00 0.00 C ATOM 200 CG1 VAL A 13 -15.790 -0.893 18.778 1.00 0.00 C ATOM 201 CG2 VAL A 13 -14.369 -1.457 16.795 1.00 0.00 C ATOM 0 H VAL A 13 -12.527 -1.175 17.995 1.00 0.00 H new ATOM 0 HA VAL A 13 -14.124 -2.221 20.097 1.00 0.00 H new ATOM 0 HB VAL A 13 -15.565 -2.826 17.898 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -16.573 -0.576 18.089 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -16.244 -1.297 19.683 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -15.166 -0.038 19.036 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -15.185 -1.136 16.148 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -13.703 -0.615 16.984 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -13.813 -2.257 16.307 1.00 0.00 H new ATOM 211 N ASN A 14 -12.959 -4.306 17.806 1.00 0.00 N ATOM 212 CA ASN A 14 -12.694 -5.709 17.515 1.00 0.00 C ATOM 213 C ASN A 14 -11.260 -6.080 17.880 1.00 0.00 C ATOM 214 O ASN A 14 -10.936 -7.255 18.053 1.00 0.00 O ATOM 215 CB ASN A 14 -12.947 -6.003 16.035 1.00 0.00 C ATOM 216 CG ASN A 14 -14.332 -6.570 15.787 1.00 0.00 C ATOM 217 OD1 ASN A 14 -14.534 -7.783 15.829 1.00 0.00 O ATOM 218 ND2 ASN A 14 -15.293 -5.693 15.527 1.00 0.00 N ATOM 0 H ASN A 14 -12.601 -3.656 17.106 1.00 0.00 H new ATOM 0 HA ASN A 14 -13.372 -6.312 18.119 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -12.824 -5.086 15.459 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -12.199 -6.709 15.674 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -16.245 -6.016 15.352 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -15.080 -4.696 15.502 1.00 0.00 H new ATOM 225 N HIS A 15 -10.404 -5.069 17.999 1.00 0.00 N ATOM 226 CA HIS A 15 -9.004 -5.291 18.345 1.00 0.00 C ATOM 227 C HIS A 15 -8.319 -6.174 17.308 1.00 0.00 C ATOM 228 O HIS A 15 -7.552 -7.074 17.651 1.00 0.00 O ATOM 229 CB HIS A 15 -8.896 -5.931 19.731 1.00 0.00 C ATOM 230 CG HIS A 15 -7.648 -5.551 20.468 1.00 0.00 C ATOM 231 ND1 HIS A 15 -7.643 -5.177 21.795 1.00 0.00 N ATOM 232 CD2 HIS A 15 -6.360 -5.489 20.058 1.00 0.00 C ATOM 233 CE1 HIS A 15 -6.407 -4.900 22.168 1.00 0.00 C ATOM 234 NE2 HIS A 15 -5.608 -5.083 21.132 1.00 0.00 N ATOM 0 H HIS A 15 -10.655 -4.090 17.861 1.00 0.00 H new ATOM 0 HA HIS A 15 -8.501 -4.324 18.358 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -9.762 -5.641 20.325 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -8.931 -7.015 19.626 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -5.992 -5.717 19.069 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -6.101 -4.578 23.153 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -4.597 -4.945 21.130 1.00 0.00 H new ATOM 243 N GLU A 16 -8.600 -5.910 16.035 1.00 0.00 N ATOM 244 CA GLU A 16 -8.008 -6.682 14.947 1.00 0.00 C ATOM 245 C GLU A 16 -7.772 -5.804 13.724 1.00 0.00 C ATOM 246 O GLU A 16 -8.537 -4.877 13.455 1.00 0.00 O ATOM 247 CB GLU A 16 -8.916 -7.857 14.577 1.00 0.00 C ATOM 248 CG GLU A 16 -8.662 -9.107 15.404 1.00 0.00 C ATOM 249 CD GLU A 16 -7.396 -9.832 14.993 1.00 0.00 C ATOM 250 OE1 GLU A 16 -6.311 -9.457 15.485 1.00 0.00 O ATOM 251 OE2 GLU A 16 -7.490 -10.775 14.178 1.00 0.00 O ATOM 0 H GLU A 16 -9.232 -5.169 15.732 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.046 -7.066 15.287 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.956 -7.555 14.701 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.777 -8.095 13.522 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.594 -8.834 16.457 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.512 -9.783 15.304 1.00 0.00 H new ATOM 258 N TRP A 17 -6.708 -6.100 12.984 1.00 0.00 N ATOM 259 CA TRP A 17 -6.370 -5.339 11.788 1.00 0.00 C ATOM 260 C TRP A 17 -7.339 -5.652 10.653 1.00 0.00 C ATOM 261 O TRP A 17 -7.880 -6.753 10.571 1.00 0.00 O ATOM 262 CB TRP A 17 -4.937 -5.645 11.349 1.00 0.00 C ATOM 263 CG TRP A 17 -3.931 -5.475 12.446 1.00 0.00 C ATOM 264 CD1 TRP A 17 -3.480 -6.439 13.301 1.00 0.00 C ATOM 265 CD2 TRP A 17 -3.250 -4.269 12.807 1.00 0.00 C ATOM 266 NE1 TRP A 17 -2.561 -5.906 14.171 1.00 0.00 N ATOM 267 CE2 TRP A 17 -2.403 -4.574 13.887 1.00 0.00 C ATOM 268 CE3 TRP A 17 -3.274 -2.958 12.319 1.00 0.00 C ATOM 269 CZ2 TRP A 17 -1.588 -3.619 14.488 1.00 0.00 C ATOM 270 CZ3 TRP A 17 -2.465 -2.011 12.918 1.00 0.00 C ATOM 271 CH2 TRP A 17 -1.631 -2.345 13.992 1.00 0.00 C ATOM 0 H TRP A 17 -6.064 -6.863 13.193 1.00 0.00 H new ATOM 0 HA TRP A 17 -6.449 -4.279 12.029 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -4.889 -6.669 10.977 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -4.672 -4.991 10.518 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -3.799 -7.471 13.294 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -2.075 -6.417 14.908 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -3.913 -2.691 11.490 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -0.944 -3.875 15.317 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -2.476 -0.995 12.551 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -1.010 -1.582 14.437 1.00 0.00 H new ATOM 282 N TYR A 18 -7.553 -4.674 9.777 1.00 0.00 N ATOM 283 CA TYR A 18 -8.457 -4.847 8.646 1.00 0.00 C ATOM 284 C TYR A 18 -7.938 -4.103 7.416 1.00 0.00 C ATOM 285 O TYR A 18 -7.428 -2.987 7.527 1.00 0.00 O ATOM 286 CB TYR A 18 -9.857 -4.348 9.005 1.00 0.00 C ATOM 287 CG TYR A 18 -10.555 -5.198 10.043 1.00 0.00 C ATOM 288 CD1 TYR A 18 -11.243 -6.348 9.679 1.00 0.00 C ATOM 289 CD2 TYR A 18 -10.526 -4.848 11.387 1.00 0.00 C ATOM 290 CE1 TYR A 18 -11.881 -7.128 10.626 1.00 0.00 C ATOM 291 CE2 TYR A 18 -11.163 -5.620 12.340 1.00 0.00 C ATOM 292 CZ TYR A 18 -11.839 -6.759 11.954 1.00 0.00 C ATOM 293 OH TYR A 18 -12.473 -7.532 12.899 1.00 0.00 O ATOM 0 H TYR A 18 -7.113 -3.755 9.829 1.00 0.00 H new ATOM 0 HA TYR A 18 -8.507 -5.910 8.411 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -9.785 -3.325 9.374 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -10.466 -4.319 8.102 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -11.280 -6.638 8.639 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -9.997 -3.958 11.692 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -12.409 -8.021 10.327 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -11.132 -5.333 13.381 1.00 0.00 H new ATOM 0 HH TYR A 18 -11.855 -7.721 13.635 1.00 0.00 H new ATOM 303 N PRO A 19 -8.061 -4.711 6.223 1.00 0.00 N ATOM 304 CA PRO A 19 -7.602 -4.098 4.974 1.00 0.00 C ATOM 305 C PRO A 19 -8.514 -2.968 4.512 1.00 0.00 C ATOM 306 O PRO A 19 -9.449 -3.187 3.740 1.00 0.00 O ATOM 307 CB PRO A 19 -7.638 -5.256 3.979 1.00 0.00 C ATOM 308 CG PRO A 19 -8.704 -6.159 4.496 1.00 0.00 C ATOM 309 CD PRO A 19 -8.658 -6.043 5.996 1.00 0.00 C ATOM 0 HA PRO A 19 -6.619 -3.640 5.081 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.867 -4.907 2.972 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.676 -5.766 3.928 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -9.682 -5.867 4.112 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -8.531 -7.187 4.179 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -9.653 -6.116 6.435 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.054 -6.834 6.441 1.00 0.00 H new ATOM 317 N HIS A 20 -8.240 -1.758 4.990 1.00 0.00 N ATOM 318 CA HIS A 20 -9.039 -0.593 4.625 1.00 0.00 C ATOM 319 C HIS A 20 -8.299 0.279 3.617 1.00 0.00 C ATOM 320 O HIS A 20 -7.083 0.160 3.452 1.00 0.00 O ATOM 321 CB HIS A 20 -9.383 0.225 5.870 1.00 0.00 C ATOM 322 CG HIS A 20 -10.457 -0.387 6.712 1.00 0.00 C ATOM 323 ND1 HIS A 20 -11.422 -1.234 6.208 1.00 0.00 N ATOM 324 CD2 HIS A 20 -10.718 -0.273 8.036 1.00 0.00 C ATOM 325 CE1 HIS A 20 -12.227 -1.613 7.183 1.00 0.00 C ATOM 326 NE2 HIS A 20 -11.822 -1.043 8.303 1.00 0.00 N ATOM 0 H HIS A 20 -7.472 -1.559 5.630 1.00 0.00 H new ATOM 0 HA HIS A 20 -9.962 -0.945 4.164 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -8.484 0.346 6.474 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -9.698 1.223 5.563 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -10.160 0.315 8.750 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -13.073 -2.277 7.082 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -12.259 -1.157 9.218 1.00 0.00 H new ATOM 335 N TYR A 21 -9.037 1.155 2.944 1.00 0.00 N ATOM 336 CA TYR A 21 -8.451 2.048 1.950 1.00 0.00 C ATOM 337 C TYR A 21 -8.074 3.387 2.578 1.00 0.00 C ATOM 338 O TYR A 21 -8.826 3.944 3.376 1.00 0.00 O ATOM 339 CB TYR A 21 -9.430 2.272 0.796 1.00 0.00 C ATOM 340 CG TYR A 21 -8.757 2.398 -0.552 1.00 0.00 C ATOM 341 CD1 TYR A 21 -7.846 3.416 -0.802 1.00 0.00 C ATOM 342 CD2 TYR A 21 -9.036 1.502 -1.575 1.00 0.00 C ATOM 343 CE1 TYR A 21 -7.230 3.536 -2.034 1.00 0.00 C ATOM 344 CE2 TYR A 21 -8.424 1.614 -2.810 1.00 0.00 C ATOM 345 CZ TYR A 21 -7.523 2.633 -3.034 1.00 0.00 C ATOM 346 OH TYR A 21 -6.912 2.749 -4.261 1.00 0.00 O ATOM 0 H TYR A 21 -10.043 1.266 3.069 1.00 0.00 H new ATOM 0 HA TYR A 21 -7.546 1.579 1.564 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -10.137 1.443 0.764 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -10.007 3.176 0.991 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -7.615 4.126 -0.021 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -9.743 0.704 -1.403 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -6.523 4.333 -2.212 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -8.651 0.907 -3.595 1.00 0.00 H new ATOM 0 HH TYR A 21 -7.227 2.034 -4.852 1.00 0.00 H new ATOM 356 N PHE A 22 -6.902 3.897 2.211 1.00 0.00 N ATOM 357 CA PHE A 22 -6.426 5.170 2.737 1.00 0.00 C ATOM 358 C PHE A 22 -5.775 6.005 1.638 1.00 0.00 C ATOM 359 O PHE A 22 -5.313 5.471 0.629 1.00 0.00 O ATOM 360 CB PHE A 22 -5.425 4.938 3.869 1.00 0.00 C ATOM 361 CG PHE A 22 -6.067 4.588 5.182 1.00 0.00 C ATOM 362 CD1 PHE A 22 -6.497 3.296 5.435 1.00 0.00 C ATOM 363 CD2 PHE A 22 -6.238 5.551 6.162 1.00 0.00 C ATOM 364 CE1 PHE A 22 -7.087 2.971 6.642 1.00 0.00 C ATOM 365 CE2 PHE A 22 -6.827 5.233 7.370 1.00 0.00 C ATOM 366 CZ PHE A 22 -7.252 3.941 7.611 1.00 0.00 C ATOM 0 H PHE A 22 -6.266 3.448 1.552 1.00 0.00 H new ATOM 0 HA PHE A 22 -7.286 5.715 3.125 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -4.745 4.136 3.582 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -4.821 5.836 3.998 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -6.370 2.534 4.681 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -5.907 6.563 5.980 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -7.418 1.960 6.827 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -6.955 5.994 8.126 1.00 0.00 H new ATOM 0 HZ PHE A 22 -7.712 3.690 8.555 1.00 0.00 H new ATOM 376 N VAL A 23 -5.742 7.317 1.844 1.00 0.00 N ATOM 377 CA VAL A 23 -5.144 8.230 0.876 1.00 0.00 C ATOM 378 C VAL A 23 -4.380 9.345 1.581 1.00 0.00 C ATOM 379 O VAL A 23 -4.725 9.738 2.696 1.00 0.00 O ATOM 380 CB VAL A 23 -6.212 8.851 -0.044 1.00 0.00 C ATOM 381 CG1 VAL A 23 -5.556 9.668 -1.149 1.00 0.00 C ATOM 382 CG2 VAL A 23 -7.108 7.769 -0.629 1.00 0.00 C ATOM 0 H VAL A 23 -6.123 7.773 2.673 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.453 7.646 0.269 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.833 9.521 0.551 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.326 10.099 -1.789 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.962 10.468 -0.707 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.909 9.023 -1.744 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.856 8.227 -1.276 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.504 7.071 -1.209 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.606 7.233 0.179 1.00 0.00 H new ATOM 392 N LEU A 24 -3.339 9.851 0.929 1.00 0.00 N ATOM 393 CA LEU A 24 -2.527 10.918 1.501 1.00 0.00 C ATOM 394 C LEU A 24 -2.279 12.029 0.485 1.00 0.00 C ATOM 395 O LEU A 24 -1.669 11.803 -0.560 1.00 0.00 O ATOM 396 CB LEU A 24 -1.191 10.357 1.996 1.00 0.00 C ATOM 397 CG LEU A 24 -0.223 11.395 2.566 1.00 0.00 C ATOM 398 CD1 LEU A 24 -0.655 11.823 3.959 1.00 0.00 C ATOM 399 CD2 LEU A 24 1.194 10.842 2.591 1.00 0.00 C ATOM 0 H LEU A 24 -3.038 9.540 0.005 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.074 11.342 2.343 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.391 9.609 2.763 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.702 9.842 1.169 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.240 12.273 1.920 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.047 12.562 4.347 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.653 12.260 3.912 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.669 10.955 4.618 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.870 11.593 2.999 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.225 9.948 3.214 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.503 10.588 1.577 1.00 0.00 H new ATOM 411 N THR A 25 -2.752 13.230 0.804 1.00 0.00 N ATOM 412 CA THR A 25 -2.577 14.379 -0.077 1.00 0.00 C ATOM 413 C THR A 25 -1.590 15.376 0.526 1.00 0.00 C ATOM 414 O THR A 25 -1.483 15.498 1.747 1.00 0.00 O ATOM 415 CB THR A 25 -3.921 15.064 -0.341 1.00 0.00 C ATOM 416 OG1 THR A 25 -4.329 15.824 0.783 1.00 0.00 O ATOM 417 CG2 THR A 25 -5.034 14.091 -0.668 1.00 0.00 C ATOM 0 H THR A 25 -3.259 13.432 1.666 1.00 0.00 H new ATOM 0 HA THR A 25 -2.174 14.021 -1.025 1.00 0.00 H new ATOM 0 HB THR A 25 -3.753 15.704 -1.207 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.458 15.229 1.551 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.958 14.641 -0.844 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.772 13.526 -1.563 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.174 13.404 0.167 1.00 0.00 H new ATOM 425 N SER A 26 -0.869 16.081 -0.339 1.00 0.00 N ATOM 426 CA SER A 26 0.117 17.064 0.099 1.00 0.00 C ATOM 427 C SER A 26 -0.504 18.130 1.001 1.00 0.00 C ATOM 428 O SER A 26 0.206 18.829 1.723 1.00 0.00 O ATOM 429 CB SER A 26 0.772 17.728 -1.113 1.00 0.00 C ATOM 430 OG SER A 26 -0.082 17.679 -2.244 1.00 0.00 O ATOM 0 H SER A 26 -0.949 15.990 -1.352 1.00 0.00 H new ATOM 0 HA SER A 26 0.872 16.534 0.680 1.00 0.00 H new ATOM 0 HB2 SER A 26 1.011 18.765 -0.878 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.713 17.228 -1.342 1.00 0.00 H new ATOM 0 HG SER A 26 0.358 18.111 -3.005 1.00 0.00 H new ATOM 436 N SER A 27 -1.825 18.263 0.954 1.00 0.00 N ATOM 437 CA SER A 27 -2.514 19.257 1.767 1.00 0.00 C ATOM 438 C SER A 27 -3.108 18.637 3.031 1.00 0.00 C ATOM 439 O SER A 27 -3.319 19.328 4.027 1.00 0.00 O ATOM 440 CB SER A 27 -3.617 19.936 0.954 1.00 0.00 C ATOM 441 OG SER A 27 -3.143 21.120 0.337 1.00 0.00 O ATOM 0 H SER A 27 -2.437 17.698 0.365 1.00 0.00 H new ATOM 0 HA SER A 27 -1.778 20.001 2.070 1.00 0.00 H new ATOM 0 HB2 SER A 27 -3.987 19.249 0.193 1.00 0.00 H new ATOM 0 HB3 SER A 27 -4.458 20.174 1.605 1.00 0.00 H new ATOM 0 HG SER A 27 -3.867 21.533 -0.178 1.00 0.00 H new ATOM 447 N LYS A 28 -3.379 17.336 2.985 1.00 0.00 N ATOM 448 CA LYS A 28 -3.956 16.636 4.130 1.00 0.00 C ATOM 449 C LYS A 28 -4.052 15.138 3.857 1.00 0.00 C ATOM 450 O LYS A 28 -3.575 14.654 2.831 1.00 0.00 O ATOM 451 CB LYS A 28 -5.346 17.198 4.443 1.00 0.00 C ATOM 452 CG LYS A 28 -5.339 18.286 5.509 1.00 0.00 C ATOM 453 CD LYS A 28 -5.876 19.606 4.971 1.00 0.00 C ATOM 454 CE LYS A 28 -7.115 20.055 5.730 1.00 0.00 C ATOM 455 NZ LYS A 28 -8.346 19.380 5.234 1.00 0.00 N ATOM 0 H LYS A 28 -3.209 16.746 2.170 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.304 16.790 4.990 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.780 17.601 3.528 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.992 16.384 4.771 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.943 17.967 6.359 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.323 18.429 5.876 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.104 20.372 5.047 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.115 19.498 3.913 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.987 19.842 6.791 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.229 21.135 5.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.168 19.714 5.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.483 19.603 4.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.249 18.351 5.350 1.00 0.00 H new ATOM 469 N ILE A 29 -4.677 14.408 4.777 1.00 0.00 N ATOM 470 CA ILE A 29 -4.839 12.967 4.627 1.00 0.00 C ATOM 471 C ILE A 29 -6.303 12.611 4.384 1.00 0.00 C ATOM 472 O ILE A 29 -7.197 13.413 4.649 1.00 0.00 O ATOM 473 CB ILE A 29 -4.337 12.204 5.870 1.00 0.00 C ATOM 474 CG1 ILE A 29 -3.029 12.814 6.384 1.00 0.00 C ATOM 475 CG2 ILE A 29 -4.146 10.731 5.543 1.00 0.00 C ATOM 476 CD1 ILE A 29 -2.473 12.113 7.604 1.00 0.00 C ATOM 0 H ILE A 29 -5.079 14.791 5.633 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.239 12.668 3.767 1.00 0.00 H new ATOM 0 HB ILE A 29 -5.087 12.291 6.656 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.286 12.783 5.587 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.197 13.864 6.623 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.791 10.205 6.429 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.096 10.303 5.223 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.413 10.628 4.742 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.547 12.598 7.912 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -3.198 12.166 8.416 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -2.273 11.069 7.364 1.00 0.00 H new ATOM 488 N TYR A 30 -6.542 11.406 3.876 1.00 0.00 N ATOM 489 CA TYR A 30 -7.900 10.953 3.598 1.00 0.00 C ATOM 490 C TYR A 30 -8.124 9.537 4.121 1.00 0.00 C ATOM 491 O TYR A 30 -7.259 8.671 3.989 1.00 0.00 O ATOM 492 CB TYR A 30 -8.179 11.007 2.093 1.00 0.00 C ATOM 493 CG TYR A 30 -9.115 12.124 1.692 1.00 0.00 C ATOM 494 CD1 TYR A 30 -8.808 13.449 1.977 1.00 0.00 C ATOM 495 CD2 TYR A 30 -10.304 11.854 1.027 1.00 0.00 C ATOM 496 CE1 TYR A 30 -9.661 14.473 1.613 1.00 0.00 C ATOM 497 CE2 TYR A 30 -11.163 12.874 0.659 1.00 0.00 C ATOM 498 CZ TYR A 30 -10.836 14.180 0.953 1.00 0.00 C ATOM 499 OH TYR A 30 -11.689 15.197 0.588 1.00 0.00 O ATOM 0 H TYR A 30 -5.815 10.727 3.649 1.00 0.00 H new ATOM 0 HA TYR A 30 -8.591 11.620 4.113 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -7.235 11.126 1.561 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -8.606 10.055 1.776 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -7.887 13.682 2.491 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -10.562 10.832 0.793 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -9.409 15.497 1.844 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -12.085 12.648 0.144 1.00 0.00 H new ATOM 0 HH TYR A 30 -12.470 14.821 0.131 1.00 0.00 H new ATOM 509 N TYR A 31 -9.289 9.311 4.719 1.00 0.00 N ATOM 510 CA TYR A 31 -9.630 8.001 5.264 1.00 0.00 C ATOM 511 C TYR A 31 -10.900 7.457 4.617 1.00 0.00 C ATOM 512 O TYR A 31 -11.860 8.195 4.392 1.00 0.00 O ATOM 513 CB TYR A 31 -9.810 8.091 6.783 1.00 0.00 C ATOM 514 CG TYR A 31 -10.280 6.802 7.422 1.00 0.00 C ATOM 515 CD1 TYR A 31 -9.781 5.574 7.004 1.00 0.00 C ATOM 516 CD2 TYR A 31 -11.221 6.814 8.442 1.00 0.00 C ATOM 517 CE1 TYR A 31 -10.209 4.395 7.587 1.00 0.00 C ATOM 518 CE2 TYR A 31 -11.654 5.640 9.029 1.00 0.00 C ATOM 519 CZ TYR A 31 -11.144 4.434 8.598 1.00 0.00 C ATOM 520 OH TYR A 31 -11.571 3.262 9.179 1.00 0.00 O ATOM 0 H TYR A 31 -10.014 10.019 4.839 1.00 0.00 H new ATOM 0 HA TYR A 31 -8.812 7.316 5.043 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -8.862 8.385 7.235 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -10.528 8.880 7.008 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -9.048 5.540 6.212 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -11.622 7.757 8.783 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -9.812 3.448 7.251 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -12.388 5.667 9.821 1.00 0.00 H new ATOM 0 HH TYR A 31 -12.230 3.463 9.876 1.00 0.00 H new ATOM 530 N SER A 32 -10.900 6.162 4.320 1.00 0.00 N ATOM 531 CA SER A 32 -12.051 5.518 3.699 1.00 0.00 C ATOM 532 C SER A 32 -12.070 4.024 4.004 1.00 0.00 C ATOM 533 O SER A 32 -11.050 3.446 4.383 1.00 0.00 O ATOM 534 CB SER A 32 -12.032 5.743 2.186 1.00 0.00 C ATOM 535 OG SER A 32 -10.709 5.912 1.712 1.00 0.00 O ATOM 0 H SER A 32 -10.114 5.537 4.500 1.00 0.00 H new ATOM 0 HA SER A 32 -12.954 5.965 4.114 1.00 0.00 H new ATOM 0 HB2 SER A 32 -12.496 4.894 1.683 1.00 0.00 H new ATOM 0 HB3 SER A 32 -12.625 6.623 1.939 1.00 0.00 H new ATOM 0 HG SER A 32 -10.122 5.253 2.139 1.00 0.00 H new ATOM 1396 N GLY A 91 -13.319 10.326 5.883 1.00 0.00 N ATOM 1397 CA GLY A 91 -12.446 10.939 6.869 1.00 0.00 C ATOM 1398 C GLY A 91 -11.370 11.797 6.234 1.00 0.00 C ATOM 1399 O GLY A 91 -11.225 11.817 5.011 1.00 0.00 O ATOM 0 HA2 GLY A 91 -13.041 11.550 7.547 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -11.978 10.160 7.470 1.00 0.00 H new ATOM 1403 N VAL A 92 -10.614 12.509 7.064 1.00 0.00 N ATOM 1404 CA VAL A 92 -9.549 13.373 6.570 1.00 0.00 C ATOM 1405 C VAL A 92 -8.668 13.876 7.712 1.00 0.00 C ATOM 1406 O VAL A 92 -9.168 14.371 8.722 1.00 0.00 O ATOM 1407 CB VAL A 92 -10.120 14.580 5.799 1.00 0.00 C ATOM 1408 CG1 VAL A 92 -10.983 15.440 6.712 1.00 0.00 C ATOM 1409 CG2 VAL A 92 -8.999 15.403 5.180 1.00 0.00 C ATOM 0 H VAL A 92 -10.719 12.505 8.079 1.00 0.00 H new ATOM 0 HA VAL A 92 -8.943 12.772 5.892 1.00 0.00 H new ATOM 0 HB VAL A 92 -10.749 14.204 4.992 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -11.377 16.287 6.149 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -11.810 14.844 7.098 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -10.381 15.806 7.544 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -9.424 16.250 4.641 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -8.339 15.768 5.967 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -8.430 14.781 4.489 1.00 0.00 H new ATOM 1419 N LEU A 93 -7.356 13.750 7.538 1.00 0.00 N ATOM 1420 CA LEU A 93 -6.403 14.196 8.548 1.00 0.00 C ATOM 1421 C LEU A 93 -5.576 15.367 8.024 1.00 0.00 C ATOM 1422 O LEU A 93 -5.834 15.881 6.938 1.00 0.00 O ATOM 1423 CB LEU A 93 -5.483 13.043 8.959 1.00 0.00 C ATOM 1424 CG LEU A 93 -5.328 12.844 10.467 1.00 0.00 C ATOM 1425 CD1 LEU A 93 -6.689 12.696 11.128 1.00 0.00 C ATOM 1426 CD2 LEU A 93 -4.457 11.632 10.756 1.00 0.00 C ATOM 0 H LEU A 93 -6.929 13.342 6.706 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.961 14.529 9.423 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -5.866 12.120 8.524 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -4.497 13.214 8.527 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.840 13.725 10.884 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -6.559 12.555 12.201 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -7.280 13.594 10.949 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -7.205 11.832 10.709 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.357 11.505 11.834 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -4.918 10.742 10.327 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -3.471 11.779 10.315 1.00 0.00 H new ATOM 1438 N ASP A 94 -4.582 15.783 8.803 1.00 0.00 N ATOM 1439 CA ASP A 94 -3.721 16.895 8.413 1.00 0.00 C ATOM 1440 C ASP A 94 -2.256 16.473 8.405 1.00 0.00 C ATOM 1441 O ASP A 94 -1.807 15.733 9.281 1.00 0.00 O ATOM 1442 CB ASP A 94 -3.918 18.077 9.363 1.00 0.00 C ATOM 1443 CG ASP A 94 -5.032 19.000 8.914 1.00 0.00 C ATOM 1444 OD1 ASP A 94 -6.204 18.568 8.926 1.00 0.00 O ATOM 1445 OD2 ASP A 94 -4.733 20.157 8.549 1.00 0.00 O ATOM 0 H ASP A 94 -4.353 15.368 9.706 1.00 0.00 H new ATOM 0 HA ASP A 94 -3.998 17.199 7.403 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -4.140 17.703 10.362 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -2.988 18.642 9.434 1.00 0.00 H new ATOM 1450 N VAL A 95 -1.515 16.945 7.407 1.00 0.00 N ATOM 1451 CA VAL A 95 -0.101 16.615 7.282 1.00 0.00 C ATOM 1452 C VAL A 95 0.783 17.563 8.097 1.00 0.00 C ATOM 1453 O VAL A 95 1.691 17.118 8.797 1.00 0.00 O ATOM 1454 CB VAL A 95 0.360 16.643 5.812 1.00 0.00 C ATOM 1455 CG1 VAL A 95 1.785 16.122 5.688 1.00 0.00 C ATOM 1456 CG2 VAL A 95 -0.590 15.836 4.937 1.00 0.00 C ATOM 0 H VAL A 95 -1.871 17.557 6.673 1.00 0.00 H new ATOM 0 HA VAL A 95 0.009 15.604 7.675 1.00 0.00 H new ATOM 0 HB VAL A 95 0.345 17.677 5.466 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.093 16.149 4.643 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.454 16.747 6.280 1.00 0.00 H new ATOM 0 HG13 VAL A 95 1.830 15.096 6.053 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.248 15.868 3.903 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.611 14.802 5.281 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.592 16.260 5.001 1.00 0.00 H new ATOM 1466 N PRO A 96 0.542 18.888 8.019 1.00 0.00 N ATOM 1467 CA PRO A 96 1.338 19.871 8.754 1.00 0.00 C ATOM 1468 C PRO A 96 0.912 19.994 10.215 1.00 0.00 C ATOM 1469 O PRO A 96 0.608 21.087 10.695 1.00 0.00 O ATOM 1470 CB PRO A 96 1.062 21.169 8.002 1.00 0.00 C ATOM 1471 CG PRO A 96 -0.319 21.007 7.464 1.00 0.00 C ATOM 1472 CD PRO A 96 -0.513 19.533 7.209 1.00 0.00 C ATOM 0 HA PRO A 96 2.393 19.598 8.794 1.00 0.00 H new ATOM 0 HB2 PRO A 96 1.131 22.032 8.664 1.00 0.00 H new ATOM 0 HB3 PRO A 96 1.784 21.324 7.200 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -1.058 21.378 8.175 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -0.446 21.579 6.545 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -1.507 19.203 7.512 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -0.406 19.294 6.151 1.00 0.00 H new ATOM 1480 N ALA A 97 0.898 18.865 10.918 1.00 0.00 N ATOM 1481 CA ALA A 97 0.514 18.840 12.326 1.00 0.00 C ATOM 1482 C ALA A 97 0.492 17.410 12.856 1.00 0.00 C ATOM 1483 O ALA A 97 -0.389 17.038 13.631 1.00 0.00 O ATOM 1484 CB ALA A 97 -0.847 19.495 12.521 1.00 0.00 C ATOM 0 H ALA A 97 1.149 17.954 10.535 1.00 0.00 H new ATOM 0 HA ALA A 97 1.257 19.405 12.889 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -1.116 19.467 13.577 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -0.804 20.531 12.185 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.596 18.957 11.941 1.00 0.00 H new ATOM 1490 N CYS A 98 1.467 16.610 12.434 1.00 0.00 N ATOM 1491 CA CYS A 98 1.552 15.221 12.867 1.00 0.00 C ATOM 1492 C CYS A 98 2.999 14.808 13.114 1.00 0.00 C ATOM 1493 O CYS A 98 3.922 15.610 12.963 1.00 0.00 O ATOM 1494 CB CYS A 98 0.920 14.301 11.822 1.00 0.00 C ATOM 1495 SG CYS A 98 -0.874 14.134 11.974 1.00 0.00 S ATOM 0 H CYS A 98 2.207 16.900 11.794 1.00 0.00 H new ATOM 0 HA CYS A 98 1.005 15.129 13.805 1.00 0.00 H new ATOM 0 HB2 CYS A 98 1.156 14.682 10.828 1.00 0.00 H new ATOM 0 HB3 CYS A 98 1.374 13.313 11.901 1.00 0.00 H new ATOM 0 HG CYS A 98 -1.451 14.723 10.969 1.00 0.00 H new ATOM 1501 N GLN A 99 3.189 13.547 13.492 1.00 0.00 N ATOM 1502 CA GLN A 99 4.520 13.017 13.761 1.00 0.00 C ATOM 1503 C GLN A 99 4.512 11.492 13.696 1.00 0.00 C ATOM 1504 O GLN A 99 4.011 10.825 14.603 1.00 0.00 O ATOM 1505 CB GLN A 99 5.012 13.482 15.134 1.00 0.00 C ATOM 1506 CG GLN A 99 6.458 13.949 15.135 1.00 0.00 C ATOM 1507 CD GLN A 99 7.359 13.065 15.976 1.00 0.00 C ATOM 1508 OE1 GLN A 99 6.890 12.314 16.831 1.00 0.00 O ATOM 1509 NE2 GLN A 99 8.663 13.153 15.737 1.00 0.00 N ATOM 0 H GLN A 99 2.435 12.872 13.619 1.00 0.00 H new ATOM 0 HA GLN A 99 5.200 13.395 12.998 1.00 0.00 H new ATOM 0 HB2 GLN A 99 4.376 14.296 15.482 1.00 0.00 H new ATOM 0 HB3 GLN A 99 4.902 12.664 15.846 1.00 0.00 H new ATOM 0 HG2 GLN A 99 6.830 13.969 14.110 1.00 0.00 H new ATOM 0 HG3 GLN A 99 6.505 14.971 15.511 1.00 0.00 H new ATOM 0 HE21 GLN A 99 9.008 13.789 15.018 1.00 0.00 H new ATOM 0 HE22 GLN A 99 9.319 12.584 16.272 1.00 0.00 H new ATOM 1518 N ILE A 100 5.065 10.949 12.618 1.00 0.00 N ATOM 1519 CA ILE A 100 5.118 9.504 12.433 1.00 0.00 C ATOM 1520 C ILE A 100 6.171 8.870 13.336 1.00 0.00 C ATOM 1521 O ILE A 100 7.078 9.547 13.820 1.00 0.00 O ATOM 1522 CB ILE A 100 5.429 9.131 10.969 1.00 0.00 C ATOM 1523 CG1 ILE A 100 4.618 10.001 10.005 1.00 0.00 C ATOM 1524 CG2 ILE A 100 5.142 7.658 10.726 1.00 0.00 C ATOM 1525 CD1 ILE A 100 3.123 9.868 10.189 1.00 0.00 C ATOM 0 H ILE A 100 5.483 11.487 11.859 1.00 0.00 H new ATOM 0 HA ILE A 100 4.133 9.120 12.698 1.00 0.00 H new ATOM 0 HB ILE A 100 6.488 9.314 10.785 1.00 0.00 H new ATOM 0 HG12 ILE A 100 4.902 11.044 10.142 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.876 9.733 8.981 1.00 0.00 H new ATOM 0 HG21 ILE A 100 5.366 7.410 9.689 1.00 0.00 H new ATOM 0 HG22 ILE A 100 5.763 7.053 11.386 1.00 0.00 H new ATOM 0 HG23 ILE A 100 4.091 7.454 10.929 1.00 0.00 H new ATOM 0 HD11 ILE A 100 2.610 10.511 9.474 1.00 0.00 H new ATOM 0 HD12 ILE A 100 2.827 8.832 10.023 1.00 0.00 H new ATOM 0 HD13 ILE A 100 2.853 10.164 11.203 1.00 0.00 H new ATOM 1537 N ALA A 101 6.044 7.567 13.554 1.00 0.00 N ATOM 1538 CA ALA A 101 6.984 6.835 14.396 1.00 0.00 C ATOM 1539 C ALA A 101 6.917 5.339 14.111 1.00 0.00 C ATOM 1540 O ALA A 101 6.105 4.621 14.697 1.00 0.00 O ATOM 1541 CB ALA A 101 6.701 7.110 15.866 1.00 0.00 C ATOM 0 H ALA A 101 5.298 6.994 13.159 1.00 0.00 H new ATOM 0 HA ALA A 101 7.992 7.180 14.164 1.00 0.00 H new ATOM 0 HB1 ALA A 101 7.410 6.557 16.483 1.00 0.00 H new ATOM 0 HB2 ALA A 101 6.804 8.177 16.063 1.00 0.00 H new ATOM 0 HB3 ALA A 101 5.686 6.793 16.107 1.00 0.00 H new ATOM 1547 N ILE A 102 7.773 4.873 13.207 1.00 0.00 N ATOM 1548 CA ILE A 102 7.807 3.462 12.843 1.00 0.00 C ATOM 1549 C ILE A 102 8.046 2.581 14.063 1.00 0.00 C ATOM 1550 O ILE A 102 8.899 2.876 14.902 1.00 0.00 O ATOM 1551 CB ILE A 102 8.899 3.175 11.791 1.00 0.00 C ATOM 1552 CG1 ILE A 102 8.642 3.990 10.522 1.00 0.00 C ATOM 1553 CG2 ILE A 102 8.957 1.686 11.469 1.00 0.00 C ATOM 1554 CD1 ILE A 102 9.905 4.390 9.793 1.00 0.00 C ATOM 0 H ILE A 102 8.452 5.452 12.713 1.00 0.00 H new ATOM 0 HA ILE A 102 6.832 3.226 12.416 1.00 0.00 H new ATOM 0 HB ILE A 102 9.863 3.472 12.204 1.00 0.00 H new ATOM 0 HG12 ILE A 102 8.012 3.409 9.848 1.00 0.00 H new ATOM 0 HG13 ILE A 102 8.084 4.889 10.784 1.00 0.00 H new ATOM 0 HG21 ILE A 102 9.733 1.505 10.725 1.00 0.00 H new ATOM 0 HG22 ILE A 102 9.185 1.126 12.376 1.00 0.00 H new ATOM 0 HG23 ILE A 102 7.994 1.361 11.075 1.00 0.00 H new ATOM 0 HD11 ILE A 102 9.645 4.965 8.904 1.00 0.00 H new ATOM 0 HD12 ILE A 102 10.527 4.998 10.450 1.00 0.00 H new ATOM 0 HD13 ILE A 102 10.454 3.496 9.499 1.00 0.00 H new ATOM 1566 N ARG A 103 7.293 1.492 14.147 1.00 0.00 N ATOM 1567 CA ARG A 103 7.419 0.553 15.254 1.00 0.00 C ATOM 1568 C ARG A 103 7.729 -0.846 14.726 1.00 0.00 C ATOM 1569 O ARG A 103 6.986 -1.383 13.904 1.00 0.00 O ATOM 1570 CB ARG A 103 6.132 0.528 16.080 1.00 0.00 C ATOM 1571 CG ARG A 103 6.108 1.557 17.200 1.00 0.00 C ATOM 1572 CD ARG A 103 4.971 2.552 17.022 1.00 0.00 C ATOM 1573 NE ARG A 103 4.599 3.189 18.284 1.00 0.00 N ATOM 1574 CZ ARG A 103 3.834 2.613 19.209 1.00 0.00 C ATOM 1575 NH1 ARG A 103 3.359 1.387 19.018 1.00 0.00 N ATOM 1576 NH2 ARG A 103 3.543 3.262 20.327 1.00 0.00 N ATOM 0 H ARG A 103 6.585 1.236 13.458 1.00 0.00 H new ATOM 0 HA ARG A 103 8.239 0.879 15.894 1.00 0.00 H new ATOM 0 HB2 ARG A 103 5.283 0.702 15.419 1.00 0.00 H new ATOM 0 HB3 ARG A 103 6.004 -0.466 16.508 1.00 0.00 H new ATOM 0 HG2 ARG A 103 6.001 1.050 18.159 1.00 0.00 H new ATOM 0 HG3 ARG A 103 7.058 2.090 17.225 1.00 0.00 H new ATOM 0 HD2 ARG A 103 5.267 3.316 16.303 1.00 0.00 H new ATOM 0 HD3 ARG A 103 4.104 2.041 16.604 1.00 0.00 H new ATOM 0 HE ARG A 103 4.946 4.131 18.467 1.00 0.00 H new ATOM 0 HH11 ARG A 103 3.580 0.882 18.160 1.00 0.00 H new ATOM 0 HH12 ARG A 103 2.773 0.950 19.730 1.00 0.00 H new ATOM 0 HH21 ARG A 103 3.905 4.203 20.479 1.00 0.00 H new ATOM 0 HH22 ARG A 103 2.957 2.820 21.035 1.00 0.00 H new ATOM 1590 N PRO A 104 8.835 -1.459 15.184 1.00 0.00 N ATOM 1591 CA PRO A 104 9.232 -2.796 14.742 1.00 0.00 C ATOM 1592 C PRO A 104 8.507 -3.912 15.495 1.00 0.00 C ATOM 1593 O PRO A 104 8.959 -5.057 15.507 1.00 0.00 O ATOM 1594 CB PRO A 104 10.724 -2.823 15.058 1.00 0.00 C ATOM 1595 CG PRO A 104 10.866 -1.954 16.263 1.00 0.00 C ATOM 1596 CD PRO A 104 9.792 -0.899 16.159 1.00 0.00 C ATOM 0 HA PRO A 104 8.989 -2.970 13.694 1.00 0.00 H new ATOM 0 HB2 PRO A 104 11.069 -3.837 15.257 1.00 0.00 H new ATOM 0 HB3 PRO A 104 11.314 -2.444 14.223 1.00 0.00 H new ATOM 0 HG2 PRO A 104 10.751 -2.536 17.177 1.00 0.00 H new ATOM 0 HG3 PRO A 104 11.856 -1.498 16.298 1.00 0.00 H new ATOM 0 HD2 PRO A 104 9.318 -0.715 17.123 1.00 0.00 H new ATOM 0 HD3 PRO A 104 10.199 0.053 15.817 1.00 0.00 H new ATOM 1604 N GLU A 105 7.383 -3.575 16.123 1.00 0.00 N ATOM 1605 CA GLU A 105 6.603 -4.550 16.875 1.00 0.00 C ATOM 1606 C GLU A 105 5.244 -3.972 17.259 1.00 0.00 C ATOM 1607 O GLU A 105 4.991 -3.679 18.428 1.00 0.00 O ATOM 1608 CB GLU A 105 7.363 -4.985 18.130 1.00 0.00 C ATOM 1609 CG GLU A 105 6.793 -6.233 18.784 1.00 0.00 C ATOM 1610 CD GLU A 105 7.776 -6.896 19.730 1.00 0.00 C ATOM 1611 OE1 GLU A 105 8.753 -7.502 19.241 1.00 0.00 O ATOM 1612 OE2 GLU A 105 7.568 -6.811 20.959 1.00 0.00 O ATOM 0 H GLU A 105 6.993 -2.632 16.125 1.00 0.00 H new ATOM 0 HA GLU A 105 6.442 -5.422 16.241 1.00 0.00 H new ATOM 0 HB2 GLU A 105 8.406 -5.166 17.869 1.00 0.00 H new ATOM 0 HB3 GLU A 105 7.352 -4.169 18.852 1.00 0.00 H new ATOM 0 HG2 GLU A 105 5.888 -5.971 19.332 1.00 0.00 H new ATOM 0 HG3 GLU A 105 6.503 -6.944 18.010 1.00 0.00 H new ATOM 1619 N GLY A 106 4.377 -3.808 16.266 1.00 0.00 N ATOM 1620 CA GLY A 106 3.055 -3.261 16.515 1.00 0.00 C ATOM 1621 C GLY A 106 2.278 -4.056 17.546 1.00 0.00 C ATOM 1622 O GLY A 106 2.424 -3.836 18.747 1.00 0.00 O ATOM 0 H GLY A 106 4.566 -4.044 15.292 1.00 0.00 H new ATOM 0 HA2 GLY A 106 3.151 -2.230 16.854 1.00 0.00 H new ATOM 0 HA3 GLY A 106 2.494 -3.238 15.581 1.00 0.00 H new ATOM 1626 N LYS A 107 1.449 -4.981 17.075 1.00 0.00 N ATOM 1627 CA LYS A 107 0.644 -5.811 17.964 1.00 0.00 C ATOM 1628 C LYS A 107 0.006 -6.969 17.202 1.00 0.00 C ATOM 1629 O LYS A 107 -0.025 -6.974 15.972 1.00 0.00 O ATOM 1630 CB LYS A 107 -0.444 -4.967 18.634 1.00 0.00 C ATOM 1631 CG LYS A 107 -0.031 -4.398 19.982 1.00 0.00 C ATOM 1632 CD LYS A 107 -0.084 -2.879 19.989 1.00 0.00 C ATOM 1633 CE LYS A 107 -1.476 -2.371 20.332 1.00 0.00 C ATOM 1634 NZ LYS A 107 -1.576 -1.939 21.754 1.00 0.00 N ATOM 0 H LYS A 107 1.317 -5.175 16.082 1.00 0.00 H new ATOM 0 HA LYS A 107 1.302 -6.223 18.729 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -0.715 -4.146 17.970 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -1.337 -5.578 18.765 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -0.688 -4.789 20.759 1.00 0.00 H new ATOM 0 HG3 LYS A 107 0.979 -4.728 20.223 1.00 0.00 H new ATOM 0 HD2 LYS A 107 0.634 -2.492 20.712 1.00 0.00 H new ATOM 0 HD3 LYS A 107 0.212 -2.499 19.011 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -1.728 -1.534 19.680 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -2.207 -3.157 20.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -2.540 -1.600 21.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -1.361 -2.743 22.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -0.897 -1.172 21.932 1.00 0.00 H new ATOM 1648 N ASN A 108 -0.503 -7.946 17.945 1.00 0.00 N ATOM 1649 CA ASN A 108 -1.144 -9.112 17.346 1.00 0.00 C ATOM 1650 C ASN A 108 -0.149 -9.922 16.518 1.00 0.00 C ATOM 1651 O ASN A 108 0.374 -10.936 16.979 1.00 0.00 O ATOM 1652 CB ASN A 108 -2.329 -8.679 16.476 1.00 0.00 C ATOM 1653 CG ASN A 108 -3.658 -9.145 17.038 1.00 0.00 C ATOM 1654 OD1 ASN A 108 -4.639 -8.248 17.058 1.00 0.00 O flip ATOM 1655 ND2 ASN A 108 -3.803 -10.295 17.450 1.00 0.00 N flip ATOM 0 H ASN A 108 -0.484 -7.954 18.965 1.00 0.00 H new ATOM 0 HA ASN A 108 -1.510 -9.747 18.152 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -2.335 -7.592 16.389 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -2.203 -9.078 15.470 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -3.023 -10.951 17.416 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -4.703 -10.592 17.826 1.00 0.00 H new ATOM 1662 N ASN A 109 0.106 -9.468 15.297 1.00 0.00 N ATOM 1663 CA ASN A 109 1.037 -10.151 14.407 1.00 0.00 C ATOM 1664 C ASN A 109 1.559 -9.202 13.333 1.00 0.00 C ATOM 1665 O ASN A 109 1.860 -9.619 12.215 1.00 0.00 O ATOM 1666 CB ASN A 109 0.358 -11.359 13.756 1.00 0.00 C ATOM 1667 CG ASN A 109 0.971 -12.674 14.196 1.00 0.00 C ATOM 1668 OD1 ASN A 109 1.091 -13.612 13.265 1.00 0.00 O flip ATOM 1669 ND2 ASN A 109 1.336 -12.843 15.360 1.00 0.00 N flip ATOM 0 H ASN A 109 -0.319 -8.630 14.900 1.00 0.00 H new ATOM 0 HA ASN A 109 1.884 -10.496 15.001 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -0.703 -11.354 14.006 1.00 0.00 H new ATOM 0 HB3 ASN A 109 0.430 -11.272 12.672 1.00 0.00 H new ATOM 0 HD21 ASN A 109 1.225 -12.094 16.043 1.00 0.00 H new ATOM 0 HD22 ASN A 109 1.750 -13.732 15.641 1.00 0.00 H new ATOM 1676 N ARG A 110 1.666 -7.925 13.680 1.00 0.00 N ATOM 1677 CA ARG A 110 2.155 -6.915 12.749 1.00 0.00 C ATOM 1678 C ARG A 110 3.416 -6.247 13.286 1.00 0.00 C ATOM 1679 O ARG A 110 3.351 -5.198 13.925 1.00 0.00 O ATOM 1680 CB ARG A 110 1.075 -5.863 12.491 1.00 0.00 C ATOM 1681 CG ARG A 110 -0.199 -6.434 11.890 1.00 0.00 C ATOM 1682 CD ARG A 110 -0.151 -6.426 10.371 1.00 0.00 C ATOM 1683 NE ARG A 110 -1.030 -7.436 9.788 1.00 0.00 N ATOM 1684 CZ ARG A 110 -1.447 -7.417 8.524 1.00 0.00 C ATOM 1685 NH1 ARG A 110 -1.067 -6.442 7.708 1.00 0.00 N ATOM 1686 NH2 ARG A 110 -2.244 -8.376 8.075 1.00 0.00 N ATOM 0 H ARG A 110 1.420 -7.564 14.602 1.00 0.00 H new ATOM 0 HA ARG A 110 2.400 -7.410 11.809 1.00 0.00 H new ATOM 0 HB2 ARG A 110 0.833 -5.365 13.430 1.00 0.00 H new ATOM 0 HB3 ARG A 110 1.474 -5.102 11.820 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -0.344 -7.454 12.245 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -1.056 -5.853 12.231 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -0.439 -5.441 10.005 1.00 0.00 H new ATOM 0 HD3 ARG A 110 0.873 -6.602 10.040 1.00 0.00 H new ATOM 0 HE ARG A 110 -1.343 -8.202 10.385 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -0.453 -5.702 8.048 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -1.389 -6.432 6.740 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -2.538 -9.128 8.698 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -2.564 -8.362 7.107 1.00 0.00 H new ATOM 1700 N LEU A 111 4.564 -6.866 13.023 1.00 0.00 N ATOM 1701 CA LEU A 111 5.840 -6.335 13.484 1.00 0.00 C ATOM 1702 C LEU A 111 6.198 -5.049 12.746 1.00 0.00 C ATOM 1703 O LEU A 111 6.840 -4.160 13.307 1.00 0.00 O ATOM 1704 CB LEU A 111 6.949 -7.373 13.289 1.00 0.00 C ATOM 1705 CG LEU A 111 6.554 -8.812 13.627 1.00 0.00 C ATOM 1706 CD1 LEU A 111 6.276 -9.603 12.357 1.00 0.00 C ATOM 1707 CD2 LEU A 111 7.646 -9.487 14.446 1.00 0.00 C ATOM 0 H LEU A 111 4.635 -7.735 12.493 1.00 0.00 H new ATOM 0 HA LEU A 111 5.745 -6.107 14.546 1.00 0.00 H new ATOM 0 HB2 LEU A 111 7.281 -7.337 12.251 1.00 0.00 H new ATOM 0 HB3 LEU A 111 7.802 -7.092 13.906 1.00 0.00 H new ATOM 0 HG LEU A 111 5.642 -8.786 14.223 1.00 0.00 H new ATOM 0 HD11 LEU A 111 5.997 -10.624 12.618 1.00 0.00 H new ATOM 0 HD12 LEU A 111 5.461 -9.133 11.807 1.00 0.00 H new ATOM 0 HD13 LEU A 111 7.171 -9.619 11.735 1.00 0.00 H new ATOM 0 HD21 LEU A 111 7.348 -10.510 14.677 1.00 0.00 H new ATOM 0 HD22 LEU A 111 8.574 -9.500 13.874 1.00 0.00 H new ATOM 0 HD23 LEU A 111 7.799 -8.935 15.373 1.00 0.00 H new ATOM 1719 N PHE A 112 5.783 -4.957 11.486 1.00 0.00 N ATOM 1720 CA PHE A 112 6.066 -3.779 10.677 1.00 0.00 C ATOM 1721 C PHE A 112 4.875 -2.824 10.665 1.00 0.00 C ATOM 1722 O PHE A 112 4.020 -2.892 9.783 1.00 0.00 O ATOM 1723 CB PHE A 112 6.418 -4.190 9.245 1.00 0.00 C ATOM 1724 CG PHE A 112 7.841 -4.649 9.086 1.00 0.00 C ATOM 1725 CD1 PHE A 112 8.391 -5.558 9.975 1.00 0.00 C ATOM 1726 CD2 PHE A 112 8.626 -4.170 8.051 1.00 0.00 C ATOM 1727 CE1 PHE A 112 9.698 -5.983 9.833 1.00 0.00 C ATOM 1728 CE2 PHE A 112 9.935 -4.590 7.904 1.00 0.00 C ATOM 1729 CZ PHE A 112 10.471 -5.497 8.796 1.00 0.00 C ATOM 0 H PHE A 112 5.251 -5.683 11.005 1.00 0.00 H new ATOM 0 HA PHE A 112 6.917 -3.263 11.121 1.00 0.00 H new ATOM 0 HB2 PHE A 112 5.749 -4.991 8.930 1.00 0.00 H new ATOM 0 HB3 PHE A 112 6.240 -3.346 8.579 1.00 0.00 H new ATOM 0 HD1 PHE A 112 7.791 -5.939 10.788 1.00 0.00 H new ATOM 0 HD2 PHE A 112 8.211 -3.460 7.351 1.00 0.00 H new ATOM 0 HE1 PHE A 112 10.115 -6.694 10.531 1.00 0.00 H new ATOM 0 HE2 PHE A 112 10.537 -4.209 7.093 1.00 0.00 H new ATOM 0 HZ PHE A 112 11.493 -5.826 8.683 1.00 0.00 H new ATOM 1739 N VAL A 113 4.831 -1.933 11.650 1.00 0.00 N ATOM 1740 CA VAL A 113 3.750 -0.962 11.756 1.00 0.00 C ATOM 1741 C VAL A 113 4.282 0.401 12.184 1.00 0.00 C ATOM 1742 O VAL A 113 5.223 0.491 12.972 1.00 0.00 O ATOM 1743 CB VAL A 113 2.677 -1.420 12.762 1.00 0.00 C ATOM 1744 CG1 VAL A 113 1.468 -0.499 12.710 1.00 0.00 C ATOM 1745 CG2 VAL A 113 2.271 -2.860 12.490 1.00 0.00 C ATOM 0 H VAL A 113 5.533 -1.864 12.387 1.00 0.00 H new ATOM 0 HA VAL A 113 3.297 -0.882 10.768 1.00 0.00 H new ATOM 0 HB VAL A 113 3.100 -1.369 13.765 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.721 -0.838 13.427 1.00 0.00 H new ATOM 0 HG12 VAL A 113 1.774 0.517 12.958 1.00 0.00 H new ATOM 0 HG13 VAL A 113 1.041 -0.515 11.707 1.00 0.00 H new ATOM 0 HG21 VAL A 113 1.512 -3.166 13.210 1.00 0.00 H new ATOM 0 HG22 VAL A 113 1.867 -2.940 11.481 1.00 0.00 H new ATOM 0 HG23 VAL A 113 3.143 -3.508 12.584 1.00 0.00 H new ATOM 1755 N PHE A 114 3.675 1.461 11.659 1.00 0.00 N ATOM 1756 CA PHE A 114 4.094 2.819 11.990 1.00 0.00 C ATOM 1757 C PHE A 114 2.965 3.586 12.670 1.00 0.00 C ATOM 1758 O PHE A 114 1.857 3.679 12.142 1.00 0.00 O ATOM 1759 CB PHE A 114 4.543 3.561 10.731 1.00 0.00 C ATOM 1760 CG PHE A 114 3.464 3.698 9.694 1.00 0.00 C ATOM 1761 CD1 PHE A 114 3.231 2.683 8.780 1.00 0.00 C ATOM 1762 CD2 PHE A 114 2.685 4.841 9.634 1.00 0.00 C ATOM 1763 CE1 PHE A 114 2.240 2.808 7.824 1.00 0.00 C ATOM 1764 CE2 PHE A 114 1.692 4.972 8.681 1.00 0.00 C ATOM 1765 CZ PHE A 114 1.470 3.952 7.775 1.00 0.00 C ATOM 0 H PHE A 114 2.894 1.407 11.005 1.00 0.00 H new ATOM 0 HA PHE A 114 4.934 2.753 12.682 1.00 0.00 H new ATOM 0 HB2 PHE A 114 4.894 4.554 11.011 1.00 0.00 H new ATOM 0 HB3 PHE A 114 5.391 3.035 10.293 1.00 0.00 H new ATOM 0 HD1 PHE A 114 3.830 1.785 8.815 1.00 0.00 H new ATOM 0 HD2 PHE A 114 2.855 5.640 10.340 1.00 0.00 H new ATOM 0 HE1 PHE A 114 2.069 2.011 7.116 1.00 0.00 H new ATOM 0 HE2 PHE A 114 1.091 5.869 8.645 1.00 0.00 H new ATOM 0 HZ PHE A 114 0.695 4.050 7.030 1.00 0.00 H new ATOM 1775 N SER A 115 3.254 4.130 13.848 1.00 0.00 N ATOM 1776 CA SER A 115 2.263 4.888 14.601 1.00 0.00 C ATOM 1777 C SER A 115 2.447 6.387 14.391 1.00 0.00 C ATOM 1778 O SER A 115 3.561 6.905 14.475 1.00 0.00 O ATOM 1779 CB SER A 115 2.362 4.555 16.092 1.00 0.00 C ATOM 1780 OG SER A 115 1.574 5.442 16.866 1.00 0.00 O ATOM 0 H SER A 115 4.165 4.060 14.301 1.00 0.00 H new ATOM 0 HA SER A 115 1.275 4.608 14.236 1.00 0.00 H new ATOM 0 HB2 SER A 115 2.033 3.530 16.261 1.00 0.00 H new ATOM 0 HB3 SER A 115 3.402 4.614 16.413 1.00 0.00 H new ATOM 0 HG SER A 115 1.653 5.207 17.814 1.00 0.00 H new ATOM 1786 N ILE A 116 1.346 7.079 14.121 1.00 0.00 N ATOM 1787 CA ILE A 116 1.380 8.519 13.902 1.00 0.00 C ATOM 1788 C ILE A 116 0.906 9.268 15.144 1.00 0.00 C ATOM 1789 O ILE A 116 0.224 8.701 15.998 1.00 0.00 O ATOM 1790 CB ILE A 116 0.498 8.928 12.706 1.00 0.00 C ATOM 1791 CG1 ILE A 116 0.719 7.977 11.527 1.00 0.00 C ATOM 1792 CG2 ILE A 116 0.793 10.365 12.298 1.00 0.00 C ATOM 1793 CD1 ILE A 116 -0.149 8.291 10.327 1.00 0.00 C ATOM 0 H ILE A 116 0.417 6.664 14.049 1.00 0.00 H new ATOM 0 HA ILE A 116 2.415 8.784 13.687 1.00 0.00 H new ATOM 0 HB ILE A 116 -0.548 8.862 13.007 1.00 0.00 H new ATOM 0 HG12 ILE A 116 1.767 8.018 11.229 1.00 0.00 H new ATOM 0 HG13 ILE A 116 0.520 6.956 11.852 1.00 0.00 H new ATOM 0 HG21 ILE A 116 0.163 10.640 11.452 1.00 0.00 H new ATOM 0 HG22 ILE A 116 0.586 11.031 13.136 1.00 0.00 H new ATOM 0 HG23 ILE A 116 1.841 10.454 12.013 1.00 0.00 H new ATOM 0 HD11 ILE A 116 0.060 7.578 9.530 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -1.199 8.221 10.610 1.00 0.00 H new ATOM 0 HD13 ILE A 116 0.066 9.300 9.976 1.00 0.00 H new ATOM 1805 N SER A 117 1.270 10.542 15.241 1.00 0.00 N ATOM 1806 CA SER A 117 0.878 11.363 16.380 1.00 0.00 C ATOM 1807 C SER A 117 0.788 12.833 15.983 1.00 0.00 C ATOM 1808 O SER A 117 1.026 13.189 14.830 1.00 0.00 O ATOM 1809 CB SER A 117 1.877 11.192 17.526 1.00 0.00 C ATOM 1810 OG SER A 117 1.413 11.820 18.707 1.00 0.00 O ATOM 0 H SER A 117 1.835 11.028 14.545 1.00 0.00 H new ATOM 0 HA SER A 117 -0.106 11.034 16.714 1.00 0.00 H new ATOM 0 HB2 SER A 117 2.040 10.131 17.715 1.00 0.00 H new ATOM 0 HB3 SER A 117 2.839 11.616 17.239 1.00 0.00 H new ATOM 0 HG SER A 117 2.069 11.694 19.424 1.00 0.00 H new ATOM 1816 N MET A 118 0.444 13.682 16.945 1.00 0.00 N ATOM 1817 CA MET A 118 0.327 15.116 16.694 1.00 0.00 C ATOM 1818 C MET A 118 0.991 15.919 17.811 1.00 0.00 C ATOM 1819 O MET A 118 0.815 15.616 18.991 1.00 0.00 O ATOM 1820 CB MET A 118 -1.145 15.515 16.564 1.00 0.00 C ATOM 1821 CG MET A 118 -1.824 14.938 15.332 1.00 0.00 C ATOM 1822 SD MET A 118 -3.398 15.739 14.969 1.00 0.00 S ATOM 1823 CE MET A 118 -3.315 15.857 13.182 1.00 0.00 C ATOM 0 H MET A 118 0.241 13.404 17.905 1.00 0.00 H new ATOM 0 HA MET A 118 0.838 15.340 15.758 1.00 0.00 H new ATOM 0 HB2 MET A 118 -1.682 15.185 17.453 1.00 0.00 H new ATOM 0 HB3 MET A 118 -1.217 16.602 16.533 1.00 0.00 H new ATOM 0 HG2 MET A 118 -1.161 15.043 14.473 1.00 0.00 H new ATOM 0 HG3 MET A 118 -1.989 13.871 15.479 1.00 0.00 H new ATOM 0 HE1 MET A 118 -4.118 16.500 12.822 1.00 0.00 H new ATOM 0 HE2 MET A 118 -2.353 16.279 12.889 1.00 0.00 H new ATOM 0 HE3 MET A 118 -3.423 14.864 12.746 1.00 0.00 H new ATOM 1833 N PRO A 119 1.774 16.957 17.457 1.00 0.00 N ATOM 1834 CA PRO A 119 2.468 17.795 18.445 1.00 0.00 C ATOM 1835 C PRO A 119 1.510 18.475 19.416 1.00 0.00 C ATOM 1836 O PRO A 119 1.517 18.189 20.614 1.00 0.00 O ATOM 1837 CB PRO A 119 3.195 18.843 17.592 1.00 0.00 C ATOM 1838 CG PRO A 119 3.277 18.247 16.229 1.00 0.00 C ATOM 1839 CD PRO A 119 2.052 17.392 16.078 1.00 0.00 C ATOM 0 HA PRO A 119 3.133 17.202 19.072 1.00 0.00 H new ATOM 0 HB2 PRO A 119 2.649 19.786 17.577 1.00 0.00 H new ATOM 0 HB3 PRO A 119 4.187 19.055 17.990 1.00 0.00 H new ATOM 0 HG2 PRO A 119 3.308 19.023 15.465 1.00 0.00 H new ATOM 0 HG3 PRO A 119 4.184 17.653 16.117 1.00 0.00 H new ATOM 0 HD2 PRO A 119 1.218 17.954 15.657 1.00 0.00 H new ATOM 0 HD3 PRO A 119 2.231 16.544 15.417 1.00 0.00 H new ATOM 1847 N SER A 120 0.693 19.380 18.893 1.00 0.00 N ATOM 1848 CA SER A 120 -0.266 20.109 19.713 1.00 0.00 C ATOM 1849 C SER A 120 -1.701 19.778 19.315 1.00 0.00 C ATOM 1850 O SER A 120 -2.196 20.251 18.291 1.00 0.00 O ATOM 1851 CB SER A 120 -0.026 21.615 19.595 1.00 0.00 C ATOM 1852 OG SER A 120 1.298 21.890 19.171 1.00 0.00 O ATOM 0 H SER A 120 0.675 19.627 17.904 1.00 0.00 H new ATOM 0 HA SER A 120 -0.122 19.802 20.749 1.00 0.00 H new ATOM 0 HB2 SER A 120 -0.734 22.045 18.887 1.00 0.00 H new ATOM 0 HB3 SER A 120 -0.209 22.092 20.558 1.00 0.00 H new ATOM 0 HG SER A 120 1.425 22.859 19.102 1.00 0.00 H new ATOM 1858 N VAL A 121 -2.365 18.970 20.135 1.00 0.00 N ATOM 1859 CA VAL A 121 -3.745 18.579 19.874 1.00 0.00 C ATOM 1860 C VAL A 121 -4.271 17.674 20.985 1.00 0.00 C ATOM 1861 O VAL A 121 -5.366 17.884 21.508 1.00 0.00 O ATOM 1862 CB VAL A 121 -3.882 17.869 18.505 1.00 0.00 C ATOM 1863 CG1 VAL A 121 -3.531 16.390 18.590 1.00 0.00 C ATOM 1864 CG2 VAL A 121 -5.285 18.059 17.948 1.00 0.00 C ATOM 0 H VAL A 121 -1.969 18.573 20.987 1.00 0.00 H new ATOM 0 HA VAL A 121 -4.342 19.490 19.848 1.00 0.00 H new ATOM 0 HB VAL A 121 -3.166 18.329 17.824 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -3.641 15.933 17.607 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -2.501 16.279 18.928 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -4.199 15.897 19.296 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -5.366 17.554 16.985 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -6.012 17.636 18.641 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -5.484 19.123 17.818 1.00 0.00 H new ATOM 1874 N ALA A 122 -3.478 16.669 21.333 1.00 0.00 N ATOM 1875 CA ALA A 122 -3.842 15.716 22.379 1.00 0.00 C ATOM 1876 C ALA A 122 -2.884 14.530 22.387 1.00 0.00 C ATOM 1877 O ALA A 122 -1.830 14.566 21.752 1.00 0.00 O ATOM 1878 CB ALA A 122 -5.278 15.237 22.192 1.00 0.00 C ATOM 0 H ALA A 122 -2.570 16.490 20.903 1.00 0.00 H new ATOM 0 HA ALA A 122 -3.768 16.224 23.341 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -5.531 14.528 22.980 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -5.955 16.090 22.240 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -5.376 14.750 21.222 1.00 0.00 H new ATOM 1884 N GLN A 123 -3.255 13.478 23.111 1.00 0.00 N ATOM 1885 CA GLN A 123 -2.427 12.280 23.196 1.00 0.00 C ATOM 1886 C GLN A 123 -2.920 11.211 22.227 1.00 0.00 C ATOM 1887 O GLN A 123 -2.879 10.019 22.530 1.00 0.00 O ATOM 1888 CB GLN A 123 -2.429 11.733 24.625 1.00 0.00 C ATOM 1889 CG GLN A 123 -1.647 12.590 25.606 1.00 0.00 C ATOM 1890 CD GLN A 123 -0.211 12.128 25.766 1.00 0.00 C ATOM 1891 OE1 GLN A 123 0.595 12.239 24.843 1.00 0.00 O ATOM 1892 NE2 GLN A 123 0.115 11.607 26.943 1.00 0.00 N ATOM 0 H GLN A 123 -4.122 13.431 23.646 1.00 0.00 H new ATOM 0 HA GLN A 123 -1.408 12.551 22.922 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -3.459 11.648 24.971 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -2.010 10.727 24.620 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -1.656 13.626 25.266 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -2.142 12.569 26.577 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -0.586 11.534 27.680 1.00 0.00 H new ATOM 0 HE22 GLN A 123 1.066 11.279 27.110 1.00 0.00 H new ATOM 1901 N TRP A 124 -3.386 11.647 21.061 1.00 0.00 N ATOM 1902 CA TRP A 124 -3.890 10.727 20.047 1.00 0.00 C ATOM 1903 C TRP A 124 -2.781 9.810 19.542 1.00 0.00 C ATOM 1904 O TRP A 124 -1.645 9.872 20.015 1.00 0.00 O ATOM 1905 CB TRP A 124 -4.492 11.507 18.875 1.00 0.00 C ATOM 1906 CG TRP A 124 -5.606 12.424 19.278 1.00 0.00 C ATOM 1907 CD1 TRP A 124 -5.725 13.749 18.973 1.00 0.00 C ATOM 1908 CD2 TRP A 124 -6.757 12.085 20.059 1.00 0.00 C ATOM 1909 NE1 TRP A 124 -6.881 14.256 19.517 1.00 0.00 N ATOM 1910 CE2 TRP A 124 -7.532 13.254 20.189 1.00 0.00 C ATOM 1911 CE3 TRP A 124 -7.209 10.907 20.661 1.00 0.00 C ATOM 1912 CZ2 TRP A 124 -8.731 13.279 20.896 1.00 0.00 C ATOM 1913 CZ3 TRP A 124 -8.400 10.932 21.362 1.00 0.00 C ATOM 1914 CH2 TRP A 124 -9.150 12.111 21.474 1.00 0.00 C ATOM 0 H TRP A 124 -3.425 12.631 20.795 1.00 0.00 H new ATOM 0 HA TRP A 124 -4.665 10.113 20.505 1.00 0.00 H new ATOM 0 HB2 TRP A 124 -3.706 12.091 18.396 1.00 0.00 H new ATOM 0 HB3 TRP A 124 -4.863 10.802 18.132 1.00 0.00 H new ATOM 0 HD1 TRP A 124 -5.015 14.316 18.390 1.00 0.00 H new ATOM 0 HE1 TRP A 124 -7.202 15.221 19.434 1.00 0.00 H new ATOM 0 HE3 TRP A 124 -6.638 9.994 20.580 1.00 0.00 H new ATOM 0 HZ2 TRP A 124 -9.309 14.187 20.985 1.00 0.00 H new ATOM 0 HZ3 TRP A 124 -8.759 10.028 21.831 1.00 0.00 H new ATOM 0 HH2 TRP A 124 -10.077 12.098 22.028 1.00 0.00 H new ATOM 1925 N SER A 125 -3.119 8.959 18.577 1.00 0.00 N ATOM 1926 CA SER A 125 -2.155 8.027 18.004 1.00 0.00 C ATOM 1927 C SER A 125 -2.794 7.205 16.892 1.00 0.00 C ATOM 1928 O SER A 125 -3.547 6.266 17.154 1.00 0.00 O ATOM 1929 CB SER A 125 -1.602 7.100 19.090 1.00 0.00 C ATOM 1930 OG SER A 125 -2.633 6.311 19.660 1.00 0.00 O ATOM 0 H SER A 125 -4.055 8.896 18.176 1.00 0.00 H new ATOM 0 HA SER A 125 -1.334 8.604 17.579 1.00 0.00 H new ATOM 0 HB2 SER A 125 -0.837 6.451 18.664 1.00 0.00 H new ATOM 0 HB3 SER A 125 -1.121 7.693 19.868 1.00 0.00 H new ATOM 0 HG SER A 125 -3.320 6.133 18.984 1.00 0.00 H new ATOM 1936 N LEU A 126 -2.492 7.563 15.648 1.00 0.00 N ATOM 1937 CA LEU A 126 -3.040 6.858 14.495 1.00 0.00 C ATOM 1938 C LEU A 126 -2.105 5.744 14.036 1.00 0.00 C ATOM 1939 O LEU A 126 -1.072 6.002 13.417 1.00 0.00 O ATOM 1940 CB LEU A 126 -3.287 7.835 13.343 1.00 0.00 C ATOM 1941 CG LEU A 126 -4.332 7.383 12.323 1.00 0.00 C ATOM 1942 CD1 LEU A 126 -5.733 7.513 12.901 1.00 0.00 C ATOM 1943 CD2 LEU A 126 -4.207 8.190 11.040 1.00 0.00 C ATOM 0 H LEU A 126 -1.871 8.337 15.413 1.00 0.00 H new ATOM 0 HA LEU A 126 -3.987 6.410 14.796 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -3.599 8.793 13.760 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -2.344 8.006 12.823 1.00 0.00 H new ATOM 0 HG LEU A 126 -4.153 6.334 12.089 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -6.464 7.187 12.161 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -5.818 6.892 13.793 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -5.923 8.554 13.164 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -4.958 7.855 10.325 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -4.360 9.247 11.259 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -3.213 8.047 10.616 1.00 0.00 H new ATOM 1955 N ASP A 127 -2.473 4.505 14.344 1.00 0.00 N ATOM 1956 CA ASP A 127 -1.667 3.350 13.962 1.00 0.00 C ATOM 1957 C ASP A 127 -2.015 2.889 12.550 1.00 0.00 C ATOM 1958 O ASP A 127 -3.186 2.729 12.209 1.00 0.00 O ATOM 1959 CB ASP A 127 -1.878 2.205 14.953 1.00 0.00 C ATOM 1960 CG ASP A 127 -3.339 1.826 15.096 1.00 0.00 C ATOM 1961 OD1 ASP A 127 -4.060 2.513 15.849 1.00 0.00 O ATOM 1962 OD2 ASP A 127 -3.763 0.840 14.456 1.00 0.00 O ATOM 0 H ASP A 127 -3.324 4.274 14.857 1.00 0.00 H new ATOM 0 HA ASP A 127 -0.618 3.646 13.980 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -1.310 1.335 14.624 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -1.483 2.494 15.927 1.00 0.00 H new ATOM 1967 N VAL A 128 -0.988 2.672 11.734 1.00 0.00 N ATOM 1968 CA VAL A 128 -1.184 2.226 10.360 1.00 0.00 C ATOM 1969 C VAL A 128 0.018 1.429 9.866 1.00 0.00 C ATOM 1970 O VAL A 128 1.153 1.690 10.263 1.00 0.00 O ATOM 1971 CB VAL A 128 -1.422 3.415 9.411 1.00 0.00 C ATOM 1972 CG1 VAL A 128 -1.808 2.926 8.023 1.00 0.00 C ATOM 1973 CG2 VAL A 128 -2.490 4.342 9.974 1.00 0.00 C ATOM 0 H VAL A 128 -0.012 2.798 12.001 1.00 0.00 H new ATOM 0 HA VAL A 128 -2.067 1.588 10.358 1.00 0.00 H new ATOM 0 HB VAL A 128 -0.492 3.978 9.325 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -1.972 3.782 7.368 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -1.006 2.308 7.619 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -2.723 2.337 8.086 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -2.645 5.176 9.290 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -3.424 3.792 10.093 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -2.167 4.722 10.943 1.00 0.00 H new ATOM 1983 N ALA A 129 -0.238 0.455 8.999 1.00 0.00 N ATOM 1984 CA ALA A 129 0.823 -0.381 8.454 1.00 0.00 C ATOM 1985 C ALA A 129 0.498 -0.831 7.034 1.00 0.00 C ATOM 1986 O ALA A 129 -0.659 -1.099 6.707 1.00 0.00 O ATOM 1987 CB ALA A 129 1.059 -1.585 9.352 1.00 0.00 C ATOM 0 H ALA A 129 -1.172 0.226 8.659 1.00 0.00 H new ATOM 0 HA ALA A 129 1.735 0.214 8.415 1.00 0.00 H new ATOM 0 HB1 ALA A 129 1.854 -2.201 8.933 1.00 0.00 H new ATOM 0 HB2 ALA A 129 1.349 -1.246 10.347 1.00 0.00 H new ATOM 0 HB3 ALA A 129 0.143 -2.172 9.421 1.00 0.00 H new ATOM 1993 N ALA A 130 1.525 -0.916 6.195 1.00 0.00 N ATOM 1994 CA ALA A 130 1.350 -1.337 4.811 1.00 0.00 C ATOM 1995 C ALA A 130 1.839 -2.767 4.608 1.00 0.00 C ATOM 1996 O ALA A 130 2.906 -3.143 5.094 1.00 0.00 O ATOM 1997 CB ALA A 130 2.086 -0.387 3.876 1.00 0.00 C ATOM 0 H ALA A 130 2.488 -0.698 6.450 1.00 0.00 H new ATOM 0 HA ALA A 130 0.286 -1.308 4.578 1.00 0.00 H new ATOM 0 HB1 ALA A 130 1.948 -0.712 2.845 1.00 0.00 H new ATOM 0 HB2 ALA A 130 1.689 0.621 3.995 1.00 0.00 H new ATOM 0 HB3 ALA A 130 3.149 -0.389 4.118 1.00 0.00 H new ATOM 2003 N ASP A 131 1.052 -3.562 3.886 1.00 0.00 N ATOM 2004 CA ASP A 131 1.408 -4.953 3.619 1.00 0.00 C ATOM 2005 C ASP A 131 2.796 -5.049 2.993 1.00 0.00 C ATOM 2006 O ASP A 131 3.543 -5.992 3.250 1.00 0.00 O ATOM 2007 CB ASP A 131 0.373 -5.598 2.696 1.00 0.00 C ATOM 2008 CG ASP A 131 0.091 -7.042 3.062 1.00 0.00 C ATOM 2009 OD1 ASP A 131 1.024 -7.727 3.532 1.00 0.00 O ATOM 2010 OD2 ASP A 131 -1.061 -7.487 2.877 1.00 0.00 O ATOM 0 H ASP A 131 0.166 -3.267 3.476 1.00 0.00 H new ATOM 0 HA ASP A 131 1.420 -5.488 4.569 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -0.555 -5.027 2.740 1.00 0.00 H new ATOM 0 HB3 ASP A 131 0.728 -5.550 1.667 1.00 0.00 H new ATOM 2015 N SER A 132 3.134 -4.059 2.175 1.00 0.00 N ATOM 2016 CA SER A 132 4.433 -4.020 1.513 1.00 0.00 C ATOM 2017 C SER A 132 5.410 -3.158 2.298 1.00 0.00 C ATOM 2018 O SER A 132 5.226 -1.947 2.422 1.00 0.00 O ATOM 2019 CB SER A 132 4.287 -3.483 0.087 1.00 0.00 C ATOM 2020 OG SER A 132 5.533 -3.037 -0.422 1.00 0.00 O ATOM 0 H SER A 132 2.525 -3.271 1.954 1.00 0.00 H new ATOM 0 HA SER A 132 4.825 -5.036 1.469 1.00 0.00 H new ATOM 0 HB2 SER A 132 3.885 -4.264 -0.559 1.00 0.00 H new ATOM 0 HB3 SER A 132 3.571 -2.661 0.076 1.00 0.00 H new ATOM 0 HG SER A 132 5.412 -2.700 -1.334 1.00 0.00 H new ATOM 2026 N GLN A 133 6.457 -3.790 2.823 1.00 0.00 N ATOM 2027 CA GLN A 133 7.471 -3.078 3.594 1.00 0.00 C ATOM 2028 C GLN A 133 7.941 -1.833 2.848 1.00 0.00 C ATOM 2029 O GLN A 133 8.390 -0.864 3.459 1.00 0.00 O ATOM 2030 CB GLN A 133 8.661 -3.996 3.880 1.00 0.00 C ATOM 2031 CG GLN A 133 9.758 -3.332 4.694 1.00 0.00 C ATOM 2032 CD GLN A 133 11.072 -4.086 4.625 1.00 0.00 C ATOM 2033 OE1 GLN A 133 11.107 -5.310 4.745 1.00 0.00 O ATOM 2034 NE2 GLN A 133 12.164 -3.354 4.428 1.00 0.00 N ATOM 0 H GLN A 133 6.625 -4.792 2.728 1.00 0.00 H new ATOM 0 HA GLN A 133 7.026 -2.768 4.540 1.00 0.00 H new ATOM 0 HB2 GLN A 133 8.308 -4.879 4.413 1.00 0.00 H new ATOM 0 HB3 GLN A 133 9.079 -4.340 2.934 1.00 0.00 H new ATOM 0 HG2 GLN A 133 9.908 -2.314 4.333 1.00 0.00 H new ATOM 0 HG3 GLN A 133 9.440 -3.258 5.734 1.00 0.00 H new ATOM 0 HE21 GLN A 133 12.089 -2.341 4.334 1.00 0.00 H new ATOM 0 HE22 GLN A 133 13.077 -3.805 4.371 1.00 0.00 H new ATOM 2043 N GLU A 134 7.827 -1.866 1.523 1.00 0.00 N ATOM 2044 CA GLU A 134 8.235 -0.737 0.697 1.00 0.00 C ATOM 2045 C GLU A 134 7.210 0.385 0.780 1.00 0.00 C ATOM 2046 O GLU A 134 7.563 1.557 0.901 1.00 0.00 O ATOM 2047 CB GLU A 134 8.418 -1.176 -0.756 1.00 0.00 C ATOM 2048 CG GLU A 134 9.313 -2.394 -0.915 1.00 0.00 C ATOM 2049 CD GLU A 134 10.371 -2.205 -1.985 1.00 0.00 C ATOM 2050 OE1 GLU A 134 10.989 -1.121 -2.025 1.00 0.00 O ATOM 2051 OE2 GLU A 134 10.582 -3.143 -2.783 1.00 0.00 O ATOM 0 H GLU A 134 7.457 -2.660 1.001 1.00 0.00 H new ATOM 0 HA GLU A 134 9.188 -0.366 1.073 1.00 0.00 H new ATOM 0 HB2 GLU A 134 7.441 -1.395 -1.187 1.00 0.00 H new ATOM 0 HB3 GLU A 134 8.840 -0.349 -1.327 1.00 0.00 H new ATOM 0 HG2 GLU A 134 9.799 -2.610 0.037 1.00 0.00 H new ATOM 0 HG3 GLU A 134 8.700 -3.260 -1.164 1.00 0.00 H new ATOM 2058 N GLU A 135 5.937 0.014 0.727 1.00 0.00 N ATOM 2059 CA GLU A 135 4.856 0.988 0.808 1.00 0.00 C ATOM 2060 C GLU A 135 4.809 1.609 2.199 1.00 0.00 C ATOM 2061 O GLU A 135 4.448 2.776 2.357 1.00 0.00 O ATOM 2062 CB GLU A 135 3.515 0.326 0.480 1.00 0.00 C ATOM 2063 CG GLU A 135 3.012 0.635 -0.921 1.00 0.00 C ATOM 2064 CD GLU A 135 2.135 -0.468 -1.482 1.00 0.00 C ATOM 2065 OE1 GLU A 135 1.406 -1.106 -0.694 1.00 0.00 O ATOM 2066 OE2 GLU A 135 2.179 -0.693 -2.710 1.00 0.00 O ATOM 0 H GLU A 135 5.628 -0.953 0.628 1.00 0.00 H new ATOM 0 HA GLU A 135 5.043 1.775 0.078 1.00 0.00 H new ATOM 0 HB2 GLU A 135 3.615 -0.754 0.591 1.00 0.00 H new ATOM 0 HB3 GLU A 135 2.770 0.654 1.205 1.00 0.00 H new ATOM 0 HG2 GLU A 135 2.449 1.568 -0.903 1.00 0.00 H new ATOM 0 HG3 GLU A 135 3.864 0.789 -1.583 1.00 0.00 H new ATOM 2073 N LEU A 136 5.184 0.822 3.202 1.00 0.00 N ATOM 2074 CA LEU A 136 5.194 1.294 4.580 1.00 0.00 C ATOM 2075 C LEU A 136 6.288 2.333 4.780 1.00 0.00 C ATOM 2076 O LEU A 136 6.056 3.393 5.363 1.00 0.00 O ATOM 2077 CB LEU A 136 5.398 0.121 5.542 1.00 0.00 C ATOM 2078 CG LEU A 136 5.541 0.508 7.016 1.00 0.00 C ATOM 2079 CD1 LEU A 136 4.939 -0.566 7.911 1.00 0.00 C ATOM 2080 CD2 LEU A 136 7.004 0.737 7.366 1.00 0.00 C ATOM 0 H LEU A 136 5.485 -0.146 3.085 1.00 0.00 H new ATOM 0 HA LEU A 136 4.231 1.758 4.792 1.00 0.00 H new ATOM 0 HB2 LEU A 136 4.554 -0.562 5.442 1.00 0.00 H new ATOM 0 HB3 LEU A 136 6.290 -0.427 5.238 1.00 0.00 H new ATOM 0 HG LEU A 136 4.997 1.438 7.183 1.00 0.00 H new ATOM 0 HD11 LEU A 136 5.050 -0.274 8.955 1.00 0.00 H new ATOM 0 HD12 LEU A 136 3.881 -0.683 7.677 1.00 0.00 H new ATOM 0 HD13 LEU A 136 5.455 -1.511 7.742 1.00 0.00 H new ATOM 0 HD21 LEU A 136 7.088 1.011 8.418 1.00 0.00 H new ATOM 0 HD22 LEU A 136 7.569 -0.177 7.183 1.00 0.00 H new ATOM 0 HD23 LEU A 136 7.404 1.541 6.748 1.00 0.00 H new ATOM 2092 N GLN A 137 7.480 2.024 4.286 1.00 0.00 N ATOM 2093 CA GLN A 137 8.610 2.936 4.402 1.00 0.00 C ATOM 2094 C GLN A 137 8.389 4.167 3.535 1.00 0.00 C ATOM 2095 O GLN A 137 8.675 5.292 3.947 1.00 0.00 O ATOM 2096 CB GLN A 137 9.908 2.231 3.998 1.00 0.00 C ATOM 2097 CG GLN A 137 11.056 2.467 4.967 1.00 0.00 C ATOM 2098 CD GLN A 137 10.954 1.607 6.210 1.00 0.00 C ATOM 2099 OE1 GLN A 137 11.533 0.524 6.280 1.00 0.00 O ATOM 2100 NE2 GLN A 137 10.213 2.088 7.203 1.00 0.00 N ATOM 0 H GLN A 137 7.689 1.151 3.802 1.00 0.00 H new ATOM 0 HA GLN A 137 8.693 3.252 5.442 1.00 0.00 H new ATOM 0 HB2 GLN A 137 9.722 1.160 3.923 1.00 0.00 H new ATOM 0 HB3 GLN A 137 10.204 2.573 3.006 1.00 0.00 H new ATOM 0 HG2 GLN A 137 12.000 2.261 4.463 1.00 0.00 H new ATOM 0 HG3 GLN A 137 11.072 3.518 5.257 1.00 0.00 H new ATOM 0 HE21 GLN A 137 9.750 2.991 7.103 1.00 0.00 H new ATOM 0 HE22 GLN A 137 10.107 1.554 8.066 1.00 0.00 H new ATOM 2109 N ASP A 138 7.864 3.944 2.337 1.00 0.00 N ATOM 2110 CA ASP A 138 7.588 5.035 1.412 1.00 0.00 C ATOM 2111 C ASP A 138 6.465 5.914 1.949 1.00 0.00 C ATOM 2112 O ASP A 138 6.411 7.112 1.667 1.00 0.00 O ATOM 2113 CB ASP A 138 7.213 4.485 0.035 1.00 0.00 C ATOM 2114 CG ASP A 138 8.415 4.344 -0.878 1.00 0.00 C ATOM 2115 OD1 ASP A 138 9.283 3.494 -0.588 1.00 0.00 O ATOM 2116 OD2 ASP A 138 8.488 5.083 -1.882 1.00 0.00 O ATOM 0 H ASP A 138 7.621 3.019 1.984 1.00 0.00 H new ATOM 0 HA ASP A 138 8.489 5.640 1.313 1.00 0.00 H new ATOM 0 HB2 ASP A 138 6.734 3.513 0.153 1.00 0.00 H new ATOM 0 HB3 ASP A 138 6.482 5.146 -0.431 1.00 0.00 H new ATOM 2121 N TRP A 139 5.571 5.311 2.727 1.00 0.00 N ATOM 2122 CA TRP A 139 4.452 6.042 3.307 1.00 0.00 C ATOM 2123 C TRP A 139 4.942 7.021 4.364 1.00 0.00 C ATOM 2124 O TRP A 139 4.554 8.189 4.374 1.00 0.00 O ATOM 2125 CB TRP A 139 3.438 5.074 3.921 1.00 0.00 C ATOM 2126 CG TRP A 139 2.220 4.886 3.070 1.00 0.00 C ATOM 2127 CD1 TRP A 139 2.184 4.419 1.790 1.00 0.00 C ATOM 2128 CD2 TRP A 139 0.865 5.169 3.435 1.00 0.00 C ATOM 2129 NE1 TRP A 139 0.888 4.390 1.334 1.00 0.00 N ATOM 2130 CE2 TRP A 139 0.060 4.845 2.326 1.00 0.00 C ATOM 2131 CE3 TRP A 139 0.253 5.663 4.591 1.00 0.00 C ATOM 2132 CZ2 TRP A 139 -1.323 4.999 2.341 1.00 0.00 C ATOM 2133 CZ3 TRP A 139 -1.120 5.815 4.603 1.00 0.00 C ATOM 2134 CH2 TRP A 139 -1.895 5.484 3.486 1.00 0.00 C ATOM 0 H TRP A 139 5.600 4.321 2.969 1.00 0.00 H new ATOM 0 HA TRP A 139 3.964 6.603 2.510 1.00 0.00 H new ATOM 0 HB2 TRP A 139 3.916 4.108 4.080 1.00 0.00 H new ATOM 0 HB3 TRP A 139 3.137 5.445 4.901 1.00 0.00 H new ATOM 0 HD1 TRP A 139 3.048 4.116 1.218 1.00 0.00 H new ATOM 0 HE1 TRP A 139 0.591 4.080 0.409 1.00 0.00 H new ATOM 0 HE3 TRP A 139 0.843 5.921 5.458 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 -1.923 4.745 1.480 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 -1.604 6.196 5.490 1.00 0.00 H new ATOM 0 HH2 TRP A 139 -2.966 5.614 3.528 1.00 0.00 H new ATOM 2145 N VAL A 140 5.801 6.535 5.251 1.00 0.00 N ATOM 2146 CA VAL A 140 6.352 7.364 6.314 1.00 0.00 C ATOM 2147 C VAL A 140 7.152 8.526 5.738 1.00 0.00 C ATOM 2148 O VAL A 140 7.080 9.650 6.235 1.00 0.00 O ATOM 2149 CB VAL A 140 7.257 6.546 7.255 1.00 0.00 C ATOM 2150 CG1 VAL A 140 7.705 7.393 8.439 1.00 0.00 C ATOM 2151 CG2 VAL A 140 6.542 5.291 7.730 1.00 0.00 C ATOM 0 H VAL A 140 6.131 5.570 5.255 1.00 0.00 H new ATOM 0 HA VAL A 140 5.509 7.752 6.885 1.00 0.00 H new ATOM 0 HB VAL A 140 8.144 6.242 6.699 1.00 0.00 H new ATOM 0 HG11 VAL A 140 8.343 6.797 9.092 1.00 0.00 H new ATOM 0 HG12 VAL A 140 8.262 8.258 8.078 1.00 0.00 H new ATOM 0 HG13 VAL A 140 6.831 7.731 8.996 1.00 0.00 H new ATOM 0 HG21 VAL A 140 7.198 4.727 8.393 1.00 0.00 H new ATOM 0 HG22 VAL A 140 5.636 5.570 8.267 1.00 0.00 H new ATOM 0 HG23 VAL A 140 6.279 4.675 6.870 1.00 0.00 H new ATOM 2161 N LYS A 141 7.910 8.246 4.686 1.00 0.00 N ATOM 2162 CA LYS A 141 8.723 9.268 4.037 1.00 0.00 C ATOM 2163 C LYS A 141 7.844 10.341 3.408 1.00 0.00 C ATOM 2164 O LYS A 141 8.172 11.526 3.443 1.00 0.00 O ATOM 2165 CB LYS A 141 9.628 8.637 2.976 1.00 0.00 C ATOM 2166 CG LYS A 141 11.066 8.451 3.437 1.00 0.00 C ATOM 2167 CD LYS A 141 11.465 6.985 3.457 1.00 0.00 C ATOM 2168 CE LYS A 141 12.310 6.621 2.246 1.00 0.00 C ATOM 2169 NZ LYS A 141 13.223 5.480 2.528 1.00 0.00 N ATOM 0 H LYS A 141 7.979 7.320 4.263 1.00 0.00 H new ATOM 0 HA LYS A 141 9.348 9.738 4.797 1.00 0.00 H new ATOM 0 HB2 LYS A 141 9.218 7.668 2.690 1.00 0.00 H new ATOM 0 HB3 LYS A 141 9.619 9.263 2.084 1.00 0.00 H new ATOM 0 HG2 LYS A 141 11.734 9.001 2.775 1.00 0.00 H new ATOM 0 HG3 LYS A 141 11.186 8.874 4.434 1.00 0.00 H new ATOM 0 HD2 LYS A 141 12.023 6.771 4.369 1.00 0.00 H new ATOM 0 HD3 LYS A 141 10.570 6.363 3.478 1.00 0.00 H new ATOM 0 HE2 LYS A 141 11.657 6.366 1.411 1.00 0.00 H new ATOM 0 HE3 LYS A 141 12.896 7.487 1.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 13.781 5.263 1.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 13.864 5.732 3.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 12.663 4.646 2.796 1.00 0.00 H new ATOM 2183 N LYS A 142 6.723 9.919 2.835 1.00 0.00 N ATOM 2184 CA LYS A 142 5.795 10.849 2.204 1.00 0.00 C ATOM 2185 C LYS A 142 5.177 11.769 3.246 1.00 0.00 C ATOM 2186 O LYS A 142 5.218 12.992 3.107 1.00 0.00 O ATOM 2187 CB LYS A 142 4.703 10.091 1.446 1.00 0.00 C ATOM 2188 CG LYS A 142 4.781 10.257 -0.063 1.00 0.00 C ATOM 2189 CD LYS A 142 5.756 9.271 -0.684 1.00 0.00 C ATOM 2190 CE LYS A 142 7.154 9.858 -0.788 1.00 0.00 C ATOM 2191 NZ LYS A 142 8.202 8.868 -0.415 1.00 0.00 N ATOM 0 H LYS A 142 6.435 8.941 2.794 1.00 0.00 H new ATOM 0 HA LYS A 142 6.350 11.456 1.489 1.00 0.00 H new ATOM 0 HB2 LYS A 142 4.772 9.031 1.690 1.00 0.00 H new ATOM 0 HB3 LYS A 142 3.728 10.435 1.791 1.00 0.00 H new ATOM 0 HG2 LYS A 142 3.792 10.114 -0.497 1.00 0.00 H new ATOM 0 HG3 LYS A 142 5.090 11.275 -0.302 1.00 0.00 H new ATOM 0 HD2 LYS A 142 5.786 8.361 -0.084 1.00 0.00 H new ATOM 0 HD3 LYS A 142 5.405 8.987 -1.676 1.00 0.00 H new ATOM 0 HE2 LYS A 142 7.328 10.204 -1.807 1.00 0.00 H new ATOM 0 HE3 LYS A 142 7.231 10.730 -0.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 9.059 9.370 -0.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 7.853 8.268 0.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 8.428 8.274 -1.239 1.00 0.00 H new ATOM 2205 N ILE A 143 4.622 11.180 4.301 1.00 0.00 N ATOM 2206 CA ILE A 143 4.022 11.963 5.372 1.00 0.00 C ATOM 2207 C ILE A 143 5.031 12.978 5.891 1.00 0.00 C ATOM 2208 O ILE A 143 4.676 14.097 6.268 1.00 0.00 O ATOM 2209 CB ILE A 143 3.548 11.069 6.535 1.00 0.00 C ATOM 2210 CG1 ILE A 143 2.555 10.023 6.030 1.00 0.00 C ATOM 2211 CG2 ILE A 143 2.919 11.914 7.636 1.00 0.00 C ATOM 2212 CD1 ILE A 143 2.210 8.971 7.061 1.00 0.00 C ATOM 0 H ILE A 143 4.576 10.170 4.435 1.00 0.00 H new ATOM 0 HA ILE A 143 3.151 12.475 4.964 1.00 0.00 H new ATOM 0 HB ILE A 143 4.414 10.553 6.950 1.00 0.00 H new ATOM 0 HG12 ILE A 143 1.640 10.525 5.714 1.00 0.00 H new ATOM 0 HG13 ILE A 143 2.971 9.534 5.149 1.00 0.00 H new ATOM 0 HG21 ILE A 143 2.590 11.266 8.449 1.00 0.00 H new ATOM 0 HG22 ILE A 143 3.654 12.625 8.013 1.00 0.00 H new ATOM 0 HG23 ILE A 143 2.063 12.456 7.235 1.00 0.00 H new ATOM 0 HD11 ILE A 143 1.501 8.262 6.634 1.00 0.00 H new ATOM 0 HD12 ILE A 143 3.116 8.443 7.359 1.00 0.00 H new ATOM 0 HD13 ILE A 143 1.764 9.449 7.933 1.00 0.00 H new ATOM 2224 N ARG A 144 6.298 12.578 5.887 1.00 0.00 N ATOM 2225 CA ARG A 144 7.376 13.445 6.336 1.00 0.00 C ATOM 2226 C ARG A 144 7.778 14.412 5.230 1.00 0.00 C ATOM 2227 O ARG A 144 8.253 15.515 5.500 1.00 0.00 O ATOM 2228 CB ARG A 144 8.584 12.612 6.772 1.00 0.00 C ATOM 2229 CG ARG A 144 8.594 12.287 8.257 1.00 0.00 C ATOM 2230 CD ARG A 144 9.169 10.905 8.525 1.00 0.00 C ATOM 2231 NE ARG A 144 10.365 10.963 9.362 1.00 0.00 N ATOM 2232 CZ ARG A 144 10.339 11.154 10.679 1.00 0.00 C ATOM 2233 NH1 ARG A 144 9.182 11.303 11.312 1.00 0.00 N ATOM 2234 NH2 ARG A 144 11.475 11.195 11.364 1.00 0.00 N ATOM 0 H ARG A 144 6.602 11.655 5.576 1.00 0.00 H new ATOM 0 HA ARG A 144 7.021 14.021 7.191 1.00 0.00 H new ATOM 0 HB2 ARG A 144 8.597 11.681 6.205 1.00 0.00 H new ATOM 0 HB3 ARG A 144 9.497 13.152 6.520 1.00 0.00 H new ATOM 0 HG2 ARG A 144 9.181 13.035 8.790 1.00 0.00 H new ATOM 0 HG3 ARG A 144 7.578 12.341 8.648 1.00 0.00 H new ATOM 0 HD2 ARG A 144 8.415 10.287 9.012 1.00 0.00 H new ATOM 0 HD3 ARG A 144 9.412 10.424 7.578 1.00 0.00 H new ATOM 0 HE ARG A 144 11.273 10.851 8.911 1.00 0.00 H new ATOM 0 HH11 ARG A 144 8.307 11.271 10.789 1.00 0.00 H new ATOM 0 HH12 ARG A 144 9.168 11.449 12.321 1.00 0.00 H new ATOM 0 HH21 ARG A 144 12.366 11.080 10.881 1.00 0.00 H new ATOM 0 HH22 ARG A 144 11.457 11.341 12.373 1.00 0.00 H new ATOM 2248 N GLU A 145 7.579 13.998 3.977 1.00 0.00 N ATOM 2249 CA GLU A 145 7.919 14.842 2.838 1.00 0.00 C ATOM 2250 C GLU A 145 6.950 16.012 2.736 1.00 0.00 C ATOM 2251 O GLU A 145 7.349 17.140 2.447 1.00 0.00 O ATOM 2252 CB GLU A 145 7.906 14.025 1.544 1.00 0.00 C ATOM 2253 CG GLU A 145 9.216 14.087 0.773 1.00 0.00 C ATOM 2254 CD GLU A 145 9.412 15.414 0.065 1.00 0.00 C ATOM 2255 OE1 GLU A 145 8.401 16.026 -0.339 1.00 0.00 O ATOM 2256 OE2 GLU A 145 10.576 15.839 -0.084 1.00 0.00 O ATOM 0 H GLU A 145 7.187 13.089 3.730 1.00 0.00 H new ATOM 0 HA GLU A 145 8.924 15.236 2.988 1.00 0.00 H new ATOM 0 HB2 GLU A 145 7.683 12.985 1.783 1.00 0.00 H new ATOM 0 HB3 GLU A 145 7.100 14.385 0.905 1.00 0.00 H new ATOM 0 HG2 GLU A 145 10.046 13.919 1.459 1.00 0.00 H new ATOM 0 HG3 GLU A 145 9.241 13.281 0.040 1.00 0.00 H new ATOM 2263 N VAL A 146 5.676 15.737 2.989 1.00 0.00 N ATOM 2264 CA VAL A 146 4.651 16.770 2.943 1.00 0.00 C ATOM 2265 C VAL A 146 4.697 17.601 4.217 1.00 0.00 C ATOM 2266 O VAL A 146 4.440 18.805 4.198 1.00 0.00 O ATOM 2267 CB VAL A 146 3.244 16.166 2.773 1.00 0.00 C ATOM 2268 CG1 VAL A 146 2.194 17.264 2.692 1.00 0.00 C ATOM 2269 CG2 VAL A 146 3.189 15.280 1.540 1.00 0.00 C ATOM 0 H VAL A 146 5.329 14.808 3.228 1.00 0.00 H new ATOM 0 HA VAL A 146 4.855 17.403 2.079 1.00 0.00 H new ATOM 0 HB VAL A 146 3.027 15.551 3.647 1.00 0.00 H new ATOM 0 HG11 VAL A 146 1.208 16.816 2.572 1.00 0.00 H new ATOM 0 HG12 VAL A 146 2.215 17.856 3.607 1.00 0.00 H new ATOM 0 HG13 VAL A 146 2.406 17.908 1.839 1.00 0.00 H new ATOM 0 HG21 VAL A 146 2.188 14.862 1.436 1.00 0.00 H new ATOM 0 HG22 VAL A 146 3.429 15.871 0.656 1.00 0.00 H new ATOM 0 HG23 VAL A 146 3.911 14.470 1.642 1.00 0.00 H new ATOM 2279 N ALA A 147 5.042 16.946 5.320 1.00 0.00 N ATOM 2280 CA ALA A 147 5.142 17.617 6.608 1.00 0.00 C ATOM 2281 C ALA A 147 6.386 18.493 6.657 1.00 0.00 C ATOM 2282 O ALA A 147 6.386 19.560 7.271 1.00 0.00 O ATOM 2283 CB ALA A 147 5.169 16.594 7.730 1.00 0.00 C ATOM 0 H ALA A 147 5.257 15.949 5.346 1.00 0.00 H new ATOM 0 HA ALA A 147 4.268 18.255 6.738 1.00 0.00 H new ATOM 0 HB1 ALA A 147 5.244 17.107 8.689 1.00 0.00 H new ATOM 0 HB2 ALA A 147 4.254 16.003 7.706 1.00 0.00 H new ATOM 0 HB3 ALA A 147 6.029 15.937 7.602 1.00 0.00 H new ATOM 2289 N GLN A 148 7.446 18.034 5.997 1.00 0.00 N ATOM 2290 CA GLN A 148 8.699 18.776 5.956 1.00 0.00 C ATOM 2291 C GLN A 148 8.591 19.974 5.015 1.00 0.00 C ATOM 2292 O GLN A 148 9.460 20.847 5.005 1.00 0.00 O ATOM 2293 CB GLN A 148 9.841 17.862 5.507 1.00 0.00 C ATOM 2294 CG GLN A 148 11.212 18.512 5.602 1.00 0.00 C ATOM 2295 CD GLN A 148 12.167 17.739 6.490 1.00 0.00 C ATOM 2296 OE1 GLN A 148 12.452 18.145 7.617 1.00 0.00 O ATOM 2297 NE2 GLN A 148 12.668 16.616 5.985 1.00 0.00 N ATOM 0 H GLN A 148 7.461 17.152 5.484 1.00 0.00 H new ATOM 0 HA GLN A 148 8.909 19.143 6.961 1.00 0.00 H new ATOM 0 HB2 GLN A 148 9.833 16.958 6.116 1.00 0.00 H new ATOM 0 HB3 GLN A 148 9.665 17.553 4.477 1.00 0.00 H new ATOM 0 HG2 GLN A 148 11.639 18.596 4.603 1.00 0.00 H new ATOM 0 HG3 GLN A 148 11.103 19.525 5.989 1.00 0.00 H new ATOM 0 HE21 GLN A 148 12.404 16.317 5.046 1.00 0.00 H new ATOM 0 HE22 GLN A 148 13.316 16.053 6.536 1.00 0.00 H new ATOM 2306 N THR A 149 7.518 20.014 4.226 1.00 0.00 N ATOM 2307 CA THR A 149 7.300 21.107 3.285 1.00 0.00 C ATOM 2308 C THR A 149 5.981 21.825 3.572 1.00 0.00 C ATOM 2309 O THR A 149 5.467 22.554 2.724 1.00 0.00 O ATOM 2310 CB THR A 149 7.301 20.579 1.851 1.00 0.00 C ATOM 2311 OG1 THR A 149 7.189 21.645 0.925 1.00 0.00 O ATOM 2312 CG2 THR A 149 6.176 19.606 1.571 1.00 0.00 C ATOM 0 H THR A 149 6.788 19.302 4.221 1.00 0.00 H new ATOM 0 HA THR A 149 8.114 21.821 3.406 1.00 0.00 H new ATOM 0 HB THR A 149 8.250 20.054 1.736 1.00 0.00 H new ATOM 0 HG1 THR A 149 6.501 22.272 1.230 1.00 0.00 H new ATOM 0 HG21 THR A 149 6.235 19.270 0.536 1.00 0.00 H new ATOM 0 HG22 THR A 149 6.263 18.747 2.237 1.00 0.00 H new ATOM 0 HG23 THR A 149 5.218 20.099 1.738 1.00 0.00 H new ATOM 2320 N ALA A 150 5.439 21.615 4.768 1.00 0.00 N ATOM 2321 CA ALA A 150 4.183 22.244 5.157 1.00 0.00 C ATOM 2322 C ALA A 150 4.195 22.626 6.633 1.00 0.00 C ATOM 2323 O ALA A 150 3.764 23.752 6.956 1.00 0.00 O ATOM 2324 CB ALA A 150 3.014 21.316 4.860 1.00 0.00 C ATOM 2325 OXT ALA A 150 4.634 21.793 7.454 1.00 0.00 O ATOM 0 H ALA A 150 5.850 21.015 5.483 1.00 0.00 H new ATOM 0 HA ALA A 150 4.066 23.157 4.573 1.00 0.00 H new ATOM 0 HB1 ALA A 150 2.082 21.798 5.155 1.00 0.00 H new ATOM 0 HB2 ALA A 150 2.986 21.096 3.793 1.00 0.00 H new ATOM 0 HB3 ALA A 150 3.135 20.388 5.419 1.00 0.00 H new