USER MOD reduce.3.24.130724 H: found=0, std=0, add=376, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 376 hydrogens (7 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 NoAdj-H: B 12 ABA HN2 : B 12 ABA N : B 11 LEU C :(H bumps) USER MOD NoAdj-H: B 12 ABA H : B 12 ABA N : B 11 LEU C :(H bumps) USER MOD Set 1.1: B 1 PHE N :NH3+ -144:sc= 0 (180deg=0) USER MOD Set 1.2: B 3 ASN : amide:sc= 0.224 K(o=0.22,f=-2.1!) USER MOD Set 2.1: A 12 SER OG : rot 180:sc= 0.0424 USER MOD Set 2.2: A 15 GLN : amide:sc= -0.15 K(o=-0.11,f=-9.8!) USER MOD Single : A 1 GLY N :NH3+ 180:sc=-0.00341 (180deg=-0.00341) USER MOD Single : A 5 GLN : amide:sc= -0.331 K(o=-0.33,f=-2.4!) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 75:sc= -2.33! USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.469 K(o=-0.47,f=-3.6!) USER MOD Single : B 4 GLN : amide:sc= -0.468 K(o=-0.47,f=-2.8!) USER MOD Single : B 5 HIS : no HD1:sc= -0.217 X(o=-0.22,f=-0.57) USER MOD Single : B 9 SER OG : rot -124:sc= 1.03 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.003 5.750 -0.539 1.00 0.00 N ATOM 2 CA GLY A 1 -7.003 6.573 0.273 1.00 0.00 C ATOM 3 C GLY A 1 -5.545 6.417 0.009 1.00 0.00 C ATOM 4 O GLY A 1 -4.723 7.092 0.595 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.970 5.977 -0.232 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.899 5.975 -1.549 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.821 4.737 -0.390 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.251 7.625 0.129 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.171 6.347 1.326 1.00 0.00 H new ATOM 10 N ILE A 2 -5.184 5.531 -0.878 1.00 0.00 N ATOM 11 CA ILE A 2 -3.732 5.340 -1.179 1.00 0.00 C ATOM 12 C ILE A 2 -3.363 6.125 -2.436 1.00 0.00 C ATOM 13 O ILE A 2 -2.240 6.563 -2.599 1.00 0.00 O ATOM 14 CB ILE A 2 -3.412 3.849 -1.375 1.00 0.00 C ATOM 15 CG1 ILE A 2 -1.917 3.638 -1.145 1.00 0.00 C ATOM 16 CG2 ILE A 2 -3.764 3.397 -2.799 1.00 0.00 C ATOM 17 CD1 ILE A 2 -1.605 2.143 -1.153 1.00 0.00 C ATOM 0 H ILE A 2 -5.823 4.935 -1.404 1.00 0.00 H new ATOM 0 HA ILE A 2 -3.146 5.709 -0.337 1.00 0.00 H new ATOM 0 HB ILE A 2 -4.001 3.265 -0.668 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -1.344 4.144 -1.922 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -1.619 4.077 -0.193 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -3.529 2.339 -2.913 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -4.828 3.554 -2.978 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -3.186 3.977 -3.518 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -0.538 1.993 -0.989 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -2.167 1.650 -0.360 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -1.887 1.718 -2.116 1.00 0.00 H new ATOM 29 N VAL A 3 -4.299 6.321 -3.322 1.00 0.00 N ATOM 30 CA VAL A 3 -3.996 7.094 -4.559 1.00 0.00 C ATOM 31 C VAL A 3 -3.633 8.524 -4.167 1.00 0.00 C ATOM 32 O VAL A 3 -3.115 9.288 -4.956 1.00 0.00 O ATOM 33 CB VAL A 3 -5.223 7.114 -5.475 1.00 0.00 C ATOM 34 CG1 VAL A 3 -4.772 7.253 -6.926 1.00 0.00 C ATOM 35 CG2 VAL A 3 -6.004 5.810 -5.318 1.00 0.00 C ATOM 0 H VAL A 3 -5.257 5.981 -3.244 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.165 6.627 -5.089 1.00 0.00 H new ATOM 0 HB VAL A 3 -5.859 7.956 -5.203 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -5.645 7.267 -7.579 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -4.214 8.182 -7.046 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -4.135 6.410 -7.191 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -6.876 5.828 -5.971 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.366 4.969 -5.588 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -6.328 5.702 -4.283 1.00 0.00 H new ATOM 45 N GLU A 4 -3.908 8.889 -2.950 1.00 0.00 N ATOM 46 CA GLU A 4 -3.587 10.268 -2.496 1.00 0.00 C ATOM 47 C GLU A 4 -2.374 10.240 -1.562 1.00 0.00 C ATOM 48 O GLU A 4 -1.787 11.262 -1.266 1.00 0.00 O ATOM 49 CB GLU A 4 -4.794 10.852 -1.757 1.00 0.00 C ATOM 50 CG GLU A 4 -4.431 12.224 -1.180 1.00 0.00 C ATOM 51 CD GLU A 4 -4.425 12.152 0.347 1.00 0.00 C ATOM 52 OE1 GLU A 4 -5.470 11.874 0.914 1.00 0.00 O ATOM 53 OE2 GLU A 4 -3.375 12.378 0.926 1.00 0.00 O ATOM 0 H GLU A 4 -4.342 8.291 -2.247 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.354 10.888 -3.361 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.640 10.945 -2.438 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.103 10.180 -0.956 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.452 12.535 -1.543 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.148 12.973 -1.516 1.00 0.00 H new ATOM 60 N GLN A 5 -1.994 9.085 -1.085 1.00 0.00 N ATOM 61 CA GLN A 5 -0.824 9.018 -0.164 1.00 0.00 C ATOM 62 C GLN A 5 0.398 8.449 -0.893 1.00 0.00 C ATOM 63 O GLN A 5 1.516 8.843 -0.636 1.00 0.00 O ATOM 64 CB GLN A 5 -1.161 8.128 1.032 1.00 0.00 C ATOM 65 CG GLN A 5 -1.512 9.003 2.235 1.00 0.00 C ATOM 66 CD GLN A 5 -0.384 8.931 3.265 1.00 0.00 C ATOM 67 OE1 GLN A 5 0.340 7.957 3.322 1.00 0.00 O ATOM 68 NE2 GLN A 5 -0.204 9.928 4.088 1.00 0.00 N ATOM 0 H GLN A 5 -2.440 8.191 -1.292 1.00 0.00 H new ATOM 0 HA GLN A 5 -0.593 10.026 0.181 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -1.998 7.474 0.788 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -0.314 7.485 1.271 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -1.662 10.034 1.916 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -2.448 8.668 2.681 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -0.812 10.745 4.040 1.00 0.00 H new ATOM 0 HE22 GLN A 5 0.545 9.890 4.779 1.00 0.00 H new ATOM 77 N CYS A 6 0.199 7.522 -1.791 1.00 0.00 N ATOM 78 CA CYS A 6 1.360 6.929 -2.521 1.00 0.00 C ATOM 79 C CYS A 6 1.732 7.813 -3.707 1.00 0.00 C ATOM 80 O CYS A 6 2.893 8.038 -3.984 1.00 0.00 O ATOM 81 CB CYS A 6 0.985 5.546 -3.044 1.00 0.00 C ATOM 82 SG CYS A 6 1.123 4.328 -1.718 1.00 0.00 S ATOM 0 H CYS A 6 -0.714 7.150 -2.051 1.00 0.00 H new ATOM 0 HA CYS A 6 2.204 6.853 -1.836 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -0.033 5.559 -3.433 1.00 0.00 H new ATOM 0 HB3 CYS A 6 1.639 5.271 -3.871 1.00 0.00 H new ATOM 87 N CYS A 7 0.758 8.312 -4.416 1.00 0.00 N ATOM 88 CA CYS A 7 1.071 9.179 -5.582 1.00 0.00 C ATOM 89 C CYS A 7 1.631 10.504 -5.067 1.00 0.00 C ATOM 90 O CYS A 7 2.752 10.874 -5.351 1.00 0.00 O ATOM 91 CB CYS A 7 -0.199 9.458 -6.387 1.00 0.00 C ATOM 92 SG CYS A 7 -1.233 7.981 -6.447 1.00 0.00 S ATOM 0 H CYS A 7 -0.235 8.157 -4.239 1.00 0.00 H new ATOM 0 HA CYS A 7 1.797 8.677 -6.222 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -0.752 10.281 -5.934 1.00 0.00 H new ATOM 0 HB3 CYS A 7 0.063 9.769 -7.398 1.00 0.00 H new ATOM 97 N THR A 8 0.848 11.217 -4.302 1.00 0.00 N ATOM 98 CA THR A 8 1.317 12.516 -3.751 1.00 0.00 C ATOM 99 C THR A 8 2.428 12.251 -2.732 1.00 0.00 C ATOM 100 O THR A 8 3.591 12.484 -2.994 1.00 0.00 O ATOM 101 CB THR A 8 0.139 13.233 -3.075 1.00 0.00 C ATOM 102 OG1 THR A 8 -0.684 13.822 -4.074 1.00 0.00 O ATOM 103 CG2 THR A 8 0.661 14.324 -2.137 1.00 0.00 C ATOM 0 H THR A 8 -0.100 10.952 -4.035 1.00 0.00 H new ATOM 0 HA THR A 8 1.705 13.147 -4.551 1.00 0.00 H new ATOM 0 HB THR A 8 -0.439 12.512 -2.497 1.00 0.00 H new ATOM 0 HG1 THR A 8 -1.439 14.280 -3.648 1.00 0.00 H new ATOM 0 HG21 THR A 8 -0.180 14.828 -1.661 1.00 0.00 H new ATOM 0 HG22 THR A 8 1.294 13.874 -1.372 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.242 15.048 -2.709 1.00 0.00 H new ATOM 111 N SER A 9 2.083 11.752 -1.575 1.00 0.00 N ATOM 112 CA SER A 9 3.126 11.461 -0.555 1.00 0.00 C ATOM 113 C SER A 9 3.767 10.111 -0.867 1.00 0.00 C ATOM 114 O SER A 9 3.410 9.449 -1.821 1.00 0.00 O ATOM 115 CB SER A 9 2.497 11.406 0.835 1.00 0.00 C ATOM 116 OG SER A 9 1.250 10.732 0.759 1.00 0.00 O ATOM 0 H SER A 9 1.127 11.535 -1.295 1.00 0.00 H new ATOM 0 HA SER A 9 3.879 12.248 -0.577 1.00 0.00 H new ATOM 0 HB2 SER A 9 3.161 10.889 1.527 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.355 12.415 1.223 1.00 0.00 H new ATOM 0 HG SER A 9 1.404 9.770 0.656 1.00 0.00 H new ATOM 122 N ILE A 10 4.710 9.699 -0.073 1.00 0.00 N ATOM 123 CA ILE A 10 5.369 8.389 -0.327 1.00 0.00 C ATOM 124 C ILE A 10 4.820 7.330 0.633 1.00 0.00 C ATOM 125 O ILE A 10 4.409 7.628 1.736 1.00 0.00 O ATOM 126 CB ILE A 10 6.875 8.523 -0.111 1.00 0.00 C ATOM 127 CG1 ILE A 10 7.448 9.533 -1.111 1.00 0.00 C ATOM 128 CG2 ILE A 10 7.531 7.160 -0.324 1.00 0.00 C ATOM 129 CD1 ILE A 10 7.475 8.912 -2.510 1.00 0.00 C ATOM 0 H ILE A 10 5.054 10.210 0.740 1.00 0.00 H new ATOM 0 HA ILE A 10 5.167 8.087 -1.355 1.00 0.00 H new ATOM 0 HB ILE A 10 7.073 8.871 0.903 1.00 0.00 H new ATOM 0 HG12 ILE A 10 6.842 10.439 -1.116 1.00 0.00 H new ATOM 0 HG13 ILE A 10 8.455 9.825 -0.812 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.607 7.246 -0.172 1.00 0.00 H new ATOM 0 HG22 ILE A 10 7.120 6.443 0.387 1.00 0.00 H new ATOM 0 HG23 ILE A 10 7.335 6.816 -1.340 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.883 9.632 -3.220 1.00 0.00 H new ATOM 0 HD12 ILE A 10 8.100 8.019 -2.500 1.00 0.00 H new ATOM 0 HD13 ILE A 10 6.462 8.643 -2.808 1.00 0.00 H new ATOM 141 N CYS A 11 4.837 6.087 0.228 1.00 0.00 N ATOM 142 CA CYS A 11 4.346 5.001 1.123 1.00 0.00 C ATOM 143 C CYS A 11 5.401 3.900 1.177 1.00 0.00 C ATOM 144 O CYS A 11 5.979 3.533 0.172 1.00 0.00 O ATOM 145 CB CYS A 11 3.039 4.413 0.591 1.00 0.00 C ATOM 146 SG CYS A 11 3.075 4.378 -1.214 1.00 0.00 S ATOM 0 H CYS A 11 5.170 5.778 -0.685 1.00 0.00 H new ATOM 0 HA CYS A 11 4.166 5.412 2.116 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.898 3.405 0.981 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.194 5.009 0.936 1.00 0.00 H new ATOM 151 N SER A 12 5.660 3.368 2.336 1.00 0.00 N ATOM 152 CA SER A 12 6.681 2.294 2.439 1.00 0.00 C ATOM 153 C SER A 12 5.988 0.933 2.497 1.00 0.00 C ATOM 154 O SER A 12 4.882 0.816 2.984 1.00 0.00 O ATOM 155 CB SER A 12 7.511 2.496 3.706 1.00 0.00 C ATOM 156 OG SER A 12 6.954 3.560 4.467 1.00 0.00 O ATOM 0 H SER A 12 5.210 3.630 3.213 1.00 0.00 H new ATOM 0 HA SER A 12 7.334 2.333 1.567 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.524 1.580 4.296 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.545 2.722 3.445 1.00 0.00 H new ATOM 0 HG SER A 12 7.483 3.691 5.282 1.00 0.00 H new ATOM 162 N LEU A 13 6.638 -0.080 1.982 1.00 0.00 N ATOM 163 CA LEU A 13 6.053 -1.463 1.975 1.00 0.00 C ATOM 164 C LEU A 13 5.141 -1.662 3.191 1.00 0.00 C ATOM 165 O LEU A 13 4.141 -2.347 3.121 1.00 0.00 O ATOM 166 CB LEU A 13 7.138 -2.570 2.009 1.00 0.00 C ATOM 167 CG LEU A 13 8.568 -2.018 1.940 1.00 0.00 C ATOM 168 CD1 LEU A 13 8.813 -1.366 0.579 1.00 0.00 C ATOM 169 CD2 LEU A 13 8.797 -1.010 3.069 1.00 0.00 C ATOM 0 H LEU A 13 7.563 -0.010 1.559 1.00 0.00 H new ATOM 0 HA LEU A 13 5.492 -1.551 1.045 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.024 -3.153 2.923 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.978 -3.252 1.174 1.00 0.00 H new ATOM 0 HG LEU A 13 9.273 -2.840 2.062 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.831 -0.977 0.540 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.677 -2.107 -0.209 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.107 -0.549 0.435 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.815 -0.624 3.011 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.090 -0.186 2.970 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.649 -1.501 4.031 1.00 0.00 H new ATOM 181 N TYR A 14 5.478 -1.072 4.308 1.00 0.00 N ATOM 182 CA TYR A 14 4.632 -1.236 5.523 1.00 0.00 C ATOM 183 C TYR A 14 3.233 -0.704 5.252 1.00 0.00 C ATOM 184 O TYR A 14 2.247 -1.389 5.437 1.00 0.00 O ATOM 185 CB TYR A 14 5.255 -0.465 6.689 1.00 0.00 C ATOM 186 CG TYR A 14 4.650 -0.937 7.989 1.00 0.00 C ATOM 187 CD1 TYR A 14 4.859 -2.253 8.421 1.00 0.00 C ATOM 188 CD2 TYR A 14 3.882 -0.059 8.765 1.00 0.00 C ATOM 189 CE1 TYR A 14 4.301 -2.691 9.629 1.00 0.00 C ATOM 190 CE2 TYR A 14 3.323 -0.497 9.972 1.00 0.00 C ATOM 191 CZ TYR A 14 3.533 -1.812 10.404 1.00 0.00 C ATOM 192 OH TYR A 14 2.983 -2.243 11.595 1.00 0.00 O ATOM 0 H TYR A 14 6.303 -0.484 4.430 1.00 0.00 H new ATOM 0 HA TYR A 14 4.571 -2.294 5.778 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.334 -0.616 6.703 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.084 0.604 6.564 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.450 -2.930 7.823 1.00 0.00 H new ATOM 0 HD2 TYR A 14 3.721 0.956 8.432 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.463 -3.705 9.963 1.00 0.00 H new ATOM 0 HE2 TYR A 14 2.730 0.180 10.569 1.00 0.00 H new ATOM 0 HH TYR A 14 2.481 -1.509 12.008 1.00 0.00 H new ATOM 202 N GLN A 15 3.140 0.510 4.821 1.00 0.00 N ATOM 203 CA GLN A 15 1.804 1.091 4.542 1.00 0.00 C ATOM 204 C GLN A 15 1.155 0.342 3.374 1.00 0.00 C ATOM 205 O GLN A 15 -0.056 0.257 3.284 1.00 0.00 O ATOM 206 CB GLN A 15 1.951 2.576 4.203 1.00 0.00 C ATOM 207 CG GLN A 15 2.257 3.359 5.480 1.00 0.00 C ATOM 208 CD GLN A 15 3.307 4.431 5.183 1.00 0.00 C ATOM 209 OE1 GLN A 15 3.931 4.416 4.141 1.00 0.00 O ATOM 210 NE2 GLN A 15 3.530 5.369 6.064 1.00 0.00 N ATOM 0 H GLN A 15 3.931 1.131 4.648 1.00 0.00 H new ATOM 0 HA GLN A 15 1.170 0.992 5.423 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.751 2.717 3.476 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.035 2.949 3.745 1.00 0.00 H new ATOM 0 HG2 GLN A 15 1.347 3.822 5.862 1.00 0.00 H new ATOM 0 HG3 GLN A 15 2.620 2.684 6.255 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.006 5.382 6.939 1.00 0.00 H new ATOM 0 HE22 GLN A 15 4.228 6.089 5.877 1.00 0.00 H new ATOM 219 N LEU A 16 1.933 -0.230 2.486 1.00 0.00 N ATOM 220 CA LEU A 16 1.311 -0.975 1.361 1.00 0.00 C ATOM 221 C LEU A 16 0.979 -2.387 1.828 1.00 0.00 C ATOM 222 O LEU A 16 0.194 -3.088 1.220 1.00 0.00 O ATOM 223 CB LEU A 16 2.257 -1.027 0.161 1.00 0.00 C ATOM 224 CG LEU A 16 1.515 -0.869 -1.174 1.00 0.00 C ATOM 225 CD1 LEU A 16 1.174 -2.256 -1.706 1.00 0.00 C ATOM 226 CD2 LEU A 16 0.224 -0.055 -1.026 1.00 0.00 C ATOM 0 H LEU A 16 2.953 -0.211 2.495 1.00 0.00 H new ATOM 0 HA LEU A 16 0.399 -0.464 1.051 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.003 -0.238 0.255 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.794 -1.976 0.165 1.00 0.00 H new ATOM 0 HG LEU A 16 2.166 -0.331 -1.863 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.646 -2.162 -2.655 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.092 -2.824 -1.856 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.540 -2.775 -0.988 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.266 0.030 -1.996 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.444 -0.556 -0.325 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.462 0.941 -0.652 1.00 0.00 H new ATOM 238 N GLU A 17 1.539 -2.792 2.936 1.00 0.00 N ATOM 239 CA GLU A 17 1.224 -4.137 3.476 1.00 0.00 C ATOM 240 C GLU A 17 -0.116 -4.059 4.202 1.00 0.00 C ATOM 241 O GLU A 17 -0.538 -4.990 4.859 1.00 0.00 O ATOM 242 CB GLU A 17 2.321 -4.570 4.453 1.00 0.00 C ATOM 243 CG GLU A 17 2.424 -6.096 4.467 1.00 0.00 C ATOM 244 CD GLU A 17 3.769 -6.510 5.067 1.00 0.00 C ATOM 245 OE1 GLU A 17 4.722 -5.766 4.907 1.00 0.00 O ATOM 246 OE2 GLU A 17 3.823 -7.567 5.675 1.00 0.00 O ATOM 0 H GLU A 17 2.201 -2.246 3.488 1.00 0.00 H new ATOM 0 HA GLU A 17 1.169 -4.866 2.667 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.276 -4.134 4.160 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.096 -4.202 5.454 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.607 -6.521 5.050 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.330 -6.487 3.454 1.00 0.00 H new ATOM 253 N ASN A 18 -0.798 -2.950 4.076 1.00 0.00 N ATOM 254 CA ASN A 18 -2.119 -2.813 4.748 1.00 0.00 C ATOM 255 C ASN A 18 -3.231 -2.887 3.700 1.00 0.00 C ATOM 256 O ASN A 18 -4.387 -2.653 3.989 1.00 0.00 O ATOM 257 CB ASN A 18 -2.189 -1.469 5.475 1.00 0.00 C ATOM 258 CG ASN A 18 -2.660 -1.692 6.914 1.00 0.00 C ATOM 259 OD1 ASN A 18 -1.857 -1.802 7.817 1.00 0.00 O ATOM 260 ND2 ASN A 18 -3.939 -1.766 7.165 1.00 0.00 N ATOM 0 H ASN A 18 -0.496 -2.137 3.538 1.00 0.00 H new ATOM 0 HA ASN A 18 -2.244 -3.620 5.470 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -1.210 -0.990 5.471 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -2.874 -0.798 4.957 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -4.263 -1.916 8.120 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -4.614 -1.673 6.406 1.00 0.00 H new ATOM 267 N TYR A 19 -2.890 -3.210 2.480 1.00 0.00 N ATOM 268 CA TYR A 19 -3.928 -3.296 1.415 1.00 0.00 C ATOM 269 C TYR A 19 -3.967 -4.712 0.842 1.00 0.00 C ATOM 270 O TYR A 19 -4.203 -4.908 -0.334 1.00 0.00 O ATOM 271 CB TYR A 19 -3.590 -2.307 0.299 1.00 0.00 C ATOM 272 CG TYR A 19 -3.857 -0.904 0.779 1.00 0.00 C ATOM 273 CD1 TYR A 19 -2.863 -0.202 1.473 1.00 0.00 C ATOM 274 CD2 TYR A 19 -5.098 -0.306 0.534 1.00 0.00 C ATOM 275 CE1 TYR A 19 -3.112 1.102 1.922 1.00 0.00 C ATOM 276 CE2 TYR A 19 -5.348 0.998 0.982 1.00 0.00 C ATOM 277 CZ TYR A 19 -4.354 1.702 1.677 1.00 0.00 C ATOM 278 OH TYR A 19 -4.599 2.987 2.118 1.00 0.00 O ATOM 0 H TYR A 19 -1.938 -3.417 2.177 1.00 0.00 H new ATOM 0 HA TYR A 19 -4.902 -3.054 1.841 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -2.544 -2.412 0.009 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -4.189 -2.521 -0.586 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -1.906 -0.665 1.662 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -5.863 -0.849 -0.000 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.346 1.644 2.457 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -6.305 1.460 0.792 1.00 0.00 H new ATOM 0 HH TYR A 19 -5.508 3.252 1.864 1.00 0.00 H new ATOM 288 N CYS A 20 -3.735 -5.703 1.658 1.00 0.00 N ATOM 289 CA CYS A 20 -3.761 -7.100 1.149 1.00 0.00 C ATOM 290 C CYS A 20 -5.029 -7.804 1.639 1.00 0.00 C ATOM 291 O CYS A 20 -5.576 -7.470 2.671 1.00 0.00 O ATOM 292 CB CYS A 20 -2.532 -7.851 1.660 1.00 0.00 C ATOM 293 SG CYS A 20 -1.096 -6.749 1.656 1.00 0.00 S ATOM 0 H CYS A 20 -3.529 -5.605 2.652 1.00 0.00 H new ATOM 0 HA CYS A 20 -3.754 -7.087 0.059 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -2.714 -8.222 2.668 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -2.337 -8.720 1.031 1.00 0.00 H new ATOM 298 N ASN A 21 -5.502 -8.779 0.909 1.00 0.00 N ATOM 299 CA ASN A 21 -6.733 -9.498 1.341 1.00 0.00 C ATOM 300 C ASN A 21 -6.460 -10.229 2.657 1.00 0.00 C ATOM 301 O ASN A 21 -5.304 -10.515 2.923 1.00 0.00 O ATOM 302 CB ASN A 21 -7.137 -10.510 0.265 1.00 0.00 C ATOM 303 CG ASN A 21 -8.389 -10.008 -0.460 1.00 0.00 C ATOM 304 OD1 ASN A 21 -9.044 -9.093 -0.001 1.00 0.00 O ATOM 305 ND2 ASN A 21 -8.750 -10.570 -1.582 1.00 0.00 N ATOM 306 OXT ASN A 21 -7.409 -10.486 3.378 1.00 0.00 O ATOM 0 H ASN A 21 -5.090 -9.107 0.035 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.542 -8.782 1.486 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.322 -10.647 -0.446 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.331 -11.482 0.719 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.581 -10.241 -2.073 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -8.201 -11.338 -1.968 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 14.960 5.516 1.502 1.00 0.00 N ATOM 315 CA PHE B 1 15.283 4.062 1.488 1.00 0.00 C ATOM 316 C PHE B 1 14.291 3.326 0.582 1.00 0.00 C ATOM 317 O PHE B 1 14.539 3.125 -0.590 1.00 0.00 O ATOM 318 CB PHE B 1 15.192 3.507 2.913 1.00 0.00 C ATOM 319 CG PHE B 1 15.480 2.024 2.901 1.00 0.00 C ATOM 320 CD1 PHE B 1 16.599 1.531 2.217 1.00 0.00 C ATOM 321 CD2 PHE B 1 14.629 1.139 3.578 1.00 0.00 C ATOM 322 CE1 PHE B 1 16.867 0.156 2.208 1.00 0.00 C ATOM 323 CE2 PHE B 1 14.898 -0.237 3.570 1.00 0.00 C ATOM 324 CZ PHE B 1 16.016 -0.728 2.885 1.00 0.00 C ATOM 0 H1 PHE B 1 15.841 6.067 1.550 1.00 0.00 H new ATOM 0 H2 PHE B 1 14.443 5.765 0.635 1.00 0.00 H new ATOM 0 H3 PHE B 1 14.371 5.733 2.331 1.00 0.00 H new ATOM 0 HA PHE B 1 16.294 3.916 1.107 1.00 0.00 H new ATOM 0 HB2 PHE B 1 15.904 4.020 3.560 1.00 0.00 H new ATOM 0 HB3 PHE B 1 14.199 3.691 3.323 1.00 0.00 H new ATOM 0 HD1 PHE B 1 17.256 2.212 1.696 1.00 0.00 H new ATOM 0 HD2 PHE B 1 13.766 1.517 4.106 1.00 0.00 H new ATOM 0 HE1 PHE B 1 17.729 -0.223 1.679 1.00 0.00 H new ATOM 0 HE2 PHE B 1 14.243 -0.918 4.092 1.00 0.00 H new ATOM 0 HZ PHE B 1 16.223 -1.788 2.878 1.00 0.00 H new ATOM 336 N VAL B 2 13.169 2.921 1.113 1.00 0.00 N ATOM 337 CA VAL B 2 12.170 2.198 0.277 1.00 0.00 C ATOM 338 C VAL B 2 11.046 3.148 -0.142 1.00 0.00 C ATOM 339 O VAL B 2 10.348 2.889 -1.097 1.00 0.00 O ATOM 340 CB VAL B 2 11.569 1.044 1.075 1.00 0.00 C ATOM 341 CG1 VAL B 2 12.609 -0.068 1.228 1.00 0.00 C ATOM 342 CG2 VAL B 2 11.147 1.541 2.460 1.00 0.00 C ATOM 0 H VAL B 2 12.902 3.059 2.088 1.00 0.00 H new ATOM 0 HA VAL B 2 12.672 1.814 -0.611 1.00 0.00 H new ATOM 0 HB VAL B 2 10.697 0.657 0.548 1.00 0.00 H new ATOM 0 HG11 VAL B 2 12.180 -0.892 1.798 1.00 0.00 H new ATOM 0 HG12 VAL B 2 12.907 -0.425 0.242 1.00 0.00 H new ATOM 0 HG13 VAL B 2 13.482 0.320 1.753 1.00 0.00 H new ATOM 0 HG21 VAL B 2 10.718 0.715 3.028 1.00 0.00 H new ATOM 0 HG22 VAL B 2 12.018 1.931 2.988 1.00 0.00 H new ATOM 0 HG23 VAL B 2 10.404 2.331 2.352 1.00 0.00 H new ATOM 352 N ASN B 3 10.867 4.226 0.588 1.00 0.00 N ATOM 353 CA ASN B 3 9.774 5.217 0.275 1.00 0.00 C ATOM 354 C ASN B 3 9.427 5.186 -1.220 1.00 0.00 C ATOM 355 O ASN B 3 9.980 5.924 -2.011 1.00 0.00 O ATOM 356 CB ASN B 3 10.219 6.641 0.653 1.00 0.00 C ATOM 357 CG ASN B 3 11.366 6.601 1.665 1.00 0.00 C ATOM 358 OD1 ASN B 3 11.295 5.894 2.651 1.00 0.00 O ATOM 359 ND2 ASN B 3 12.425 7.335 1.463 1.00 0.00 N ATOM 0 H ASN B 3 11.437 4.468 1.398 1.00 0.00 H new ATOM 0 HA ASN B 3 8.895 4.940 0.856 1.00 0.00 H new ATOM 0 HB2 ASN B 3 10.536 7.177 -0.241 1.00 0.00 H new ATOM 0 HB3 ASN B 3 9.377 7.191 1.073 1.00 0.00 H new ATOM 0 HD21 ASN B 3 13.194 7.316 2.133 1.00 0.00 H new ATOM 0 HD22 ASN B 3 12.484 7.928 0.635 1.00 0.00 H new ATOM 366 N GLN B 4 8.523 4.324 -1.611 1.00 0.00 N ATOM 367 CA GLN B 4 8.149 4.229 -3.051 1.00 0.00 C ATOM 368 C GLN B 4 6.808 4.933 -3.310 1.00 0.00 C ATOM 369 O GLN B 4 5.865 4.787 -2.558 1.00 0.00 O ATOM 370 CB GLN B 4 8.024 2.756 -3.442 1.00 0.00 C ATOM 371 CG GLN B 4 8.318 2.595 -4.935 1.00 0.00 C ATOM 372 CD GLN B 4 9.809 2.815 -5.186 1.00 0.00 C ATOM 373 OE1 GLN B 4 10.559 3.082 -4.268 1.00 0.00 O ATOM 374 NE2 GLN B 4 10.277 2.715 -6.401 1.00 0.00 N ATOM 0 H GLN B 4 8.028 3.682 -0.992 1.00 0.00 H new ATOM 0 HA GLN B 4 8.922 4.714 -3.646 1.00 0.00 H new ATOM 0 HB2 GLN B 4 8.719 2.154 -2.857 1.00 0.00 H new ATOM 0 HB3 GLN B 4 7.021 2.393 -3.217 1.00 0.00 H new ATOM 0 HG2 GLN B 4 8.025 1.600 -5.269 1.00 0.00 H new ATOM 0 HG3 GLN B 4 7.732 3.310 -5.511 1.00 0.00 H new ATOM 0 HE21 GLN B 4 9.649 2.491 -7.173 1.00 0.00 H new ATOM 0 HE22 GLN B 4 11.271 2.861 -6.578 1.00 0.00 H new ATOM 383 N HIS B 5 6.706 5.674 -4.387 1.00 0.00 N ATOM 384 CA HIS B 5 5.415 6.358 -4.714 1.00 0.00 C ATOM 385 C HIS B 5 4.757 5.613 -5.887 1.00 0.00 C ATOM 386 O HIS B 5 5.412 5.277 -6.852 1.00 0.00 O ATOM 387 CB HIS B 5 5.687 7.835 -5.069 1.00 0.00 C ATOM 388 CG HIS B 5 5.790 8.026 -6.563 1.00 0.00 C ATOM 389 ND1 HIS B 5 4.696 8.397 -7.315 1.00 0.00 N ATOM 390 CD2 HIS B 5 6.851 7.901 -7.419 1.00 0.00 C ATOM 391 CE1 HIS B 5 5.115 8.488 -8.585 1.00 0.00 C ATOM 392 NE2 HIS B 5 6.426 8.194 -8.698 1.00 0.00 N ATOM 0 H HIS B 5 7.461 5.835 -5.054 1.00 0.00 H new ATOM 0 HA HIS B 5 4.740 6.341 -3.858 1.00 0.00 H new ATOM 0 HB2 HIS B 5 4.886 8.460 -4.674 1.00 0.00 H new ATOM 0 HB3 HIS B 5 6.611 8.162 -4.593 1.00 0.00 H new ATOM 0 HD2 HIS B 5 7.855 7.619 -7.139 1.00 0.00 H new ATOM 0 HE1 HIS B 5 4.481 8.763 -9.415 1.00 0.00 H new ATOM 0 HE2 HIS B 5 6.986 8.189 -9.551 1.00 0.00 H new ATOM 400 N LEU B 6 3.478 5.338 -5.814 1.00 0.00 N ATOM 401 CA LEU B 6 2.825 4.590 -6.935 1.00 0.00 C ATOM 402 C LEU B 6 1.344 4.998 -7.085 1.00 0.00 C ATOM 403 O LEU B 6 0.635 5.141 -6.108 1.00 0.00 O ATOM 404 CB LEU B 6 2.922 3.080 -6.678 1.00 0.00 C ATOM 405 CG LEU B 6 4.181 2.768 -5.895 1.00 0.00 C ATOM 406 CD1 LEU B 6 3.948 3.164 -4.459 1.00 0.00 C ATOM 407 CD2 LEU B 6 4.477 1.272 -5.978 1.00 0.00 C ATOM 0 H LEU B 6 2.865 5.594 -5.040 1.00 0.00 H new ATOM 0 HA LEU B 6 3.345 4.839 -7.860 1.00 0.00 H new ATOM 0 HB2 LEU B 6 2.046 2.740 -6.125 1.00 0.00 H new ATOM 0 HB3 LEU B 6 2.930 2.541 -7.625 1.00 0.00 H new ATOM 0 HG LEU B 6 5.030 3.316 -6.304 1.00 0.00 H new ATOM 0 HD11 LEU B 6 4.841 2.949 -3.873 1.00 0.00 H new ATOM 0 HD12 LEU B 6 3.727 4.230 -4.407 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.106 2.599 -4.058 1.00 0.00 H new ATOM 0 HD21 LEU B 6 5.383 1.049 -5.414 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.641 0.712 -5.559 1.00 0.00 H new ATOM 0 HD23 LEU B 6 4.618 0.986 -7.020 1.00 0.00 H new ATOM 419 N CYS B 7 0.864 5.189 -8.303 1.00 0.00 N ATOM 420 CA CYS B 7 -0.570 5.587 -8.489 1.00 0.00 C ATOM 421 C CYS B 7 -1.353 4.544 -9.315 1.00 0.00 C ATOM 422 O CYS B 7 -2.095 3.756 -8.774 1.00 0.00 O ATOM 423 CB CYS B 7 -0.646 6.939 -9.196 1.00 0.00 C ATOM 424 SG CYS B 7 -1.880 7.954 -8.356 1.00 0.00 S ATOM 0 H CYS B 7 1.402 5.086 -9.164 1.00 0.00 H new ATOM 0 HA CYS B 7 -1.022 5.650 -7.499 1.00 0.00 H new ATOM 0 HB2 CYS B 7 0.326 7.432 -9.178 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -0.915 6.804 -10.244 1.00 0.00 H new ATOM 429 N GLY B 8 -1.224 4.554 -10.624 1.00 0.00 N ATOM 430 CA GLY B 8 -1.996 3.579 -11.467 1.00 0.00 C ATOM 431 C GLY B 8 -1.537 2.151 -11.173 1.00 0.00 C ATOM 432 O GLY B 8 -1.482 1.734 -10.031 1.00 0.00 O ATOM 0 H GLY B 8 -0.621 5.192 -11.143 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -3.062 3.675 -11.264 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -1.851 3.805 -12.523 1.00 0.00 H new ATOM 436 N SER B 9 -1.193 1.392 -12.190 1.00 0.00 N ATOM 437 CA SER B 9 -0.717 0.000 -11.935 1.00 0.00 C ATOM 438 C SER B 9 0.296 0.091 -10.803 1.00 0.00 C ATOM 439 O SER B 9 0.441 -0.800 -9.990 1.00 0.00 O ATOM 440 CB SER B 9 -0.049 -0.562 -13.190 1.00 0.00 C ATOM 441 OG SER B 9 0.515 -1.832 -12.890 1.00 0.00 O ATOM 0 H SER B 9 -1.222 1.674 -13.170 1.00 0.00 H new ATOM 0 HA SER B 9 -1.545 -0.659 -11.673 1.00 0.00 H new ATOM 0 HB2 SER B 9 -0.779 -0.656 -13.994 1.00 0.00 H new ATOM 0 HB3 SER B 9 0.726 0.120 -13.541 1.00 0.00 H new ATOM 0 HG SER B 9 1.469 -1.828 -13.116 1.00 0.00 H new ATOM 447 N ASP B 10 0.956 1.212 -10.732 1.00 0.00 N ATOM 448 CA ASP B 10 1.926 1.455 -9.644 1.00 0.00 C ATOM 449 C ASP B 10 1.268 1.017 -8.330 1.00 0.00 C ATOM 450 O ASP B 10 1.897 0.421 -7.481 1.00 0.00 O ATOM 451 CB ASP B 10 2.254 2.948 -9.645 1.00 0.00 C ATOM 452 CG ASP B 10 3.766 3.147 -9.786 1.00 0.00 C ATOM 453 OD1 ASP B 10 4.456 2.168 -10.020 1.00 0.00 O ATOM 454 OD2 ASP B 10 4.208 4.277 -9.660 1.00 0.00 O ATOM 0 H ASP B 10 0.858 1.980 -11.396 1.00 0.00 H new ATOM 0 HA ASP B 10 2.852 0.895 -9.772 1.00 0.00 H new ATOM 0 HB2 ASP B 10 1.735 3.443 -10.466 1.00 0.00 H new ATOM 0 HB3 ASP B 10 1.902 3.408 -8.721 1.00 0.00 H new ATOM 459 N LEU B 11 -0.013 1.253 -8.186 1.00 0.00 N ATOM 460 CA LEU B 11 -0.723 0.788 -6.957 1.00 0.00 C ATOM 461 C LEU B 11 -0.880 -0.720 -7.091 1.00 0.00 C ATOM 462 O LEU B 11 -0.493 -1.489 -6.235 1.00 0.00 O ATOM 463 CB LEU B 11 -2.140 1.392 -6.896 1.00 0.00 C ATOM 464 CG LEU B 11 -2.381 2.270 -5.650 1.00 0.00 C ATOM 465 CD1 LEU B 11 -1.391 1.966 -4.520 1.00 0.00 C ATOM 466 CD2 LEU B 11 -2.278 3.735 -6.065 1.00 0.00 C ATOM 0 H LEU B 11 -0.595 1.746 -8.864 1.00 0.00 H new ATOM 0 HA LEU B 11 -0.165 1.081 -6.068 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -2.310 1.990 -7.791 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -2.872 0.584 -6.909 1.00 0.00 H new ATOM 0 HG LEU B 11 -3.374 2.050 -5.259 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -1.603 2.610 -3.667 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -1.490 0.923 -4.220 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -0.374 2.148 -4.868 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -2.446 4.372 -5.196 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -1.285 3.929 -6.471 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -3.029 3.952 -6.824 1.00 0.00 H new HETATM 478 N ABA B 12 -1.457 -1.133 -8.188 1.00 0.00 N HETATM 479 CA ABA B 12 -1.668 -2.588 -8.433 1.00 0.00 C HETATM 480 C ABA B 12 -0.341 -3.327 -8.288 1.00 0.00 C HETATM 481 O ABA B 12 -0.310 -4.524 -8.090 1.00 0.00 O HETATM 482 CB ABA B 12 -2.195 -2.801 -9.859 1.00 0.00 C HETATM 483 CG ABA B 12 -3.093 -4.032 -9.903 1.00 0.00 C HETATM 0 HG3 ABA B 12 -3.936 -3.892 -9.226 1.00 0.00 H new HETATM 0 HG2 ABA B 12 -2.523 -4.909 -9.596 1.00 0.00 H new HETATM 0 HG1 ABA B 12 -3.463 -4.176 -10.918 1.00 0.00 H new HETATM 0 HB3 ABA B 12 -1.361 -2.924 -10.550 1.00 0.00 H new HETATM 0 HB2 ABA B 12 -2.752 -1.922 -10.185 1.00 0.00 H new HETATM 0 HA ABA B 12 -2.389 -2.969 -7.710 1.00 0.00 H new ATOM 491 N GLU B 13 0.757 -2.630 -8.397 1.00 0.00 N ATOM 492 CA GLU B 13 2.077 -3.313 -8.279 1.00 0.00 C ATOM 493 C GLU B 13 2.529 -3.340 -6.827 1.00 0.00 C ATOM 494 O GLU B 13 2.846 -4.379 -6.301 1.00 0.00 O ATOM 495 CB GLU B 13 3.129 -2.582 -9.101 1.00 0.00 C ATOM 496 CG GLU B 13 3.575 -3.470 -10.264 1.00 0.00 C ATOM 497 CD GLU B 13 3.743 -2.615 -11.520 1.00 0.00 C ATOM 498 OE1 GLU B 13 2.760 -2.421 -12.217 1.00 0.00 O ATOM 499 OE2 GLU B 13 4.852 -2.168 -11.765 1.00 0.00 O ATOM 0 H GLU B 13 0.798 -1.624 -8.562 1.00 0.00 H new ATOM 0 HA GLU B 13 1.963 -4.332 -8.650 1.00 0.00 H new ATOM 0 HB2 GLU B 13 2.723 -1.644 -9.480 1.00 0.00 H new ATOM 0 HB3 GLU B 13 3.984 -2.328 -8.474 1.00 0.00 H new ATOM 0 HG2 GLU B 13 4.515 -3.964 -10.019 1.00 0.00 H new ATOM 0 HG3 GLU B 13 2.839 -4.254 -10.440 1.00 0.00 H new ATOM 506 N ALA B 14 2.566 -2.213 -6.166 1.00 0.00 N ATOM 507 CA ALA B 14 3.002 -2.219 -4.744 1.00 0.00 C ATOM 508 C ALA B 14 2.270 -3.362 -4.052 1.00 0.00 C ATOM 509 O ALA B 14 2.838 -4.135 -3.307 1.00 0.00 O ATOM 510 CB ALA B 14 2.647 -0.883 -4.090 1.00 0.00 C ATOM 0 H ALA B 14 2.316 -1.300 -6.546 1.00 0.00 H new ATOM 0 HA ALA B 14 4.080 -2.356 -4.664 1.00 0.00 H new ATOM 0 HB1 ALA B 14 2.968 -0.891 -3.048 1.00 0.00 H new ATOM 0 HB2 ALA B 14 3.151 -0.074 -4.619 1.00 0.00 H new ATOM 0 HB3 ALA B 14 1.569 -0.730 -4.136 1.00 0.00 H new ATOM 516 N LEU B 15 1.009 -3.483 -4.337 1.00 0.00 N ATOM 517 CA LEU B 15 0.200 -4.589 -3.754 1.00 0.00 C ATOM 518 C LEU B 15 0.677 -5.912 -4.357 1.00 0.00 C ATOM 519 O LEU B 15 0.719 -6.931 -3.697 1.00 0.00 O ATOM 520 CB LEU B 15 -1.274 -4.408 -4.137 1.00 0.00 C ATOM 521 CG LEU B 15 -1.765 -2.981 -3.818 1.00 0.00 C ATOM 522 CD1 LEU B 15 -3.251 -2.890 -4.141 1.00 0.00 C ATOM 523 CD2 LEU B 15 -1.560 -2.615 -2.338 1.00 0.00 C ATOM 0 H LEU B 15 0.495 -2.856 -4.956 1.00 0.00 H new ATOM 0 HA LEU B 15 0.311 -4.585 -2.670 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -1.403 -4.610 -5.200 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -1.884 -5.134 -3.598 1.00 0.00 H new ATOM 0 HG LEU B 15 -1.183 -2.284 -4.421 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -3.611 -1.885 -3.920 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -3.408 -3.107 -5.198 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -3.800 -3.613 -3.537 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -1.920 -1.602 -2.161 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -2.115 -3.312 -1.710 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -0.499 -2.671 -2.093 1.00 0.00 H new ATOM 535 N TYR B 16 1.012 -5.897 -5.620 1.00 0.00 N ATOM 536 CA TYR B 16 1.462 -7.147 -6.298 1.00 0.00 C ATOM 537 C TYR B 16 2.934 -7.424 -5.974 1.00 0.00 C ATOM 538 O TYR B 16 3.418 -8.524 -6.154 1.00 0.00 O ATOM 539 CB TYR B 16 1.312 -6.969 -7.809 1.00 0.00 C ATOM 540 CG TYR B 16 0.076 -7.679 -8.307 1.00 0.00 C ATOM 541 CD1 TYR B 16 -0.210 -8.983 -7.882 1.00 0.00 C ATOM 542 CD2 TYR B 16 -0.781 -7.031 -9.208 1.00 0.00 C ATOM 543 CE1 TYR B 16 -1.355 -9.638 -8.358 1.00 0.00 C ATOM 544 CE2 TYR B 16 -1.925 -7.684 -9.682 1.00 0.00 C ATOM 545 CZ TYR B 16 -2.213 -8.989 -9.258 1.00 0.00 C ATOM 546 OH TYR B 16 -3.339 -9.635 -9.727 1.00 0.00 O ATOM 0 H TYR B 16 0.993 -5.068 -6.214 1.00 0.00 H new ATOM 0 HA TYR B 16 0.856 -7.983 -5.950 1.00 0.00 H new ATOM 0 HB2 TYR B 16 1.251 -5.908 -8.051 1.00 0.00 H new ATOM 0 HB3 TYR B 16 2.193 -7.362 -8.316 1.00 0.00 H new ATOM 0 HD1 TYR B 16 0.450 -9.483 -7.189 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -0.558 -6.027 -9.537 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -1.576 -10.643 -8.031 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -2.585 -7.183 -10.374 1.00 0.00 H new ATOM 0 HH TYR B 16 -3.823 -9.044 -10.341 1.00 0.00 H new ATOM 556 N LEU B 17 3.656 -6.440 -5.512 1.00 0.00 N ATOM 557 CA LEU B 17 5.094 -6.659 -5.196 1.00 0.00 C ATOM 558 C LEU B 17 5.263 -6.764 -3.690 1.00 0.00 C ATOM 559 O LEU B 17 6.253 -7.267 -3.197 1.00 0.00 O ATOM 560 CB LEU B 17 5.918 -5.487 -5.714 1.00 0.00 C ATOM 561 CG LEU B 17 6.748 -5.954 -6.908 1.00 0.00 C ATOM 562 CD1 LEU B 17 7.746 -7.020 -6.451 1.00 0.00 C ATOM 563 CD2 LEU B 17 5.820 -6.548 -7.971 1.00 0.00 C ATOM 0 H LEU B 17 3.312 -5.495 -5.340 1.00 0.00 H new ATOM 0 HA LEU B 17 5.435 -7.578 -5.672 1.00 0.00 H new ATOM 0 HB2 LEU B 17 5.263 -4.667 -6.008 1.00 0.00 H new ATOM 0 HB3 LEU B 17 6.570 -5.108 -4.927 1.00 0.00 H new ATOM 0 HG LEU B 17 7.289 -5.106 -7.328 1.00 0.00 H new ATOM 0 HD11 LEU B 17 8.338 -7.353 -7.303 1.00 0.00 H new ATOM 0 HD12 LEU B 17 8.406 -6.599 -5.693 1.00 0.00 H new ATOM 0 HD13 LEU B 17 7.205 -7.868 -6.031 1.00 0.00 H new ATOM 0 HD21 LEU B 17 6.411 -6.882 -8.824 1.00 0.00 H new ATOM 0 HD22 LEU B 17 5.280 -7.396 -7.550 1.00 0.00 H new ATOM 0 HD23 LEU B 17 5.108 -5.790 -8.297 1.00 0.00 H new ATOM 575 N VAL B 18 4.302 -6.293 -2.955 1.00 0.00 N ATOM 576 CA VAL B 18 4.404 -6.366 -1.481 1.00 0.00 C ATOM 577 C VAL B 18 3.680 -7.619 -0.992 1.00 0.00 C ATOM 578 O VAL B 18 4.238 -8.442 -0.294 1.00 0.00 O ATOM 579 CB VAL B 18 3.739 -5.138 -0.874 1.00 0.00 C ATOM 580 CG1 VAL B 18 3.674 -5.314 0.637 1.00 0.00 C ATOM 581 CG2 VAL B 18 4.550 -3.883 -1.192 1.00 0.00 C ATOM 0 H VAL B 18 3.450 -5.861 -3.313 1.00 0.00 H new ATOM 0 HA VAL B 18 5.452 -6.404 -1.184 1.00 0.00 H new ATOM 0 HB VAL B 18 2.738 -5.029 -1.291 1.00 0.00 H new ATOM 0 HG11 VAL B 18 3.200 -4.441 1.085 1.00 0.00 H new ATOM 0 HG12 VAL B 18 3.093 -6.205 0.875 1.00 0.00 H new ATOM 0 HG13 VAL B 18 4.683 -5.422 1.034 1.00 0.00 H new ATOM 0 HG21 VAL B 18 4.062 -3.013 -0.752 1.00 0.00 H new ATOM 0 HG22 VAL B 18 5.554 -3.984 -0.779 1.00 0.00 H new ATOM 0 HG23 VAL B 18 4.613 -3.755 -2.273 1.00 0.00 H new ATOM 591 N CYS B 19 2.436 -7.764 -1.355 1.00 0.00 N ATOM 592 CA CYS B 19 1.661 -8.954 -0.914 1.00 0.00 C ATOM 593 C CYS B 19 1.451 -9.894 -2.103 1.00 0.00 C ATOM 594 O CYS B 19 2.094 -10.919 -2.219 1.00 0.00 O ATOM 595 CB CYS B 19 0.303 -8.492 -0.385 1.00 0.00 C ATOM 596 SG CYS B 19 0.470 -7.985 1.345 1.00 0.00 S ATOM 0 H CYS B 19 1.922 -7.106 -1.941 1.00 0.00 H new ATOM 0 HA CYS B 19 2.205 -9.480 -0.129 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -0.069 -7.661 -0.984 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -0.426 -9.298 -0.470 1.00 0.00 H new ATOM 601 N GLY B 20 0.556 -9.552 -2.986 1.00 0.00 N ATOM 602 CA GLY B 20 0.302 -10.423 -4.169 1.00 0.00 C ATOM 603 C GLY B 20 -0.395 -11.710 -3.721 1.00 0.00 C ATOM 604 O GLY B 20 -1.607 -11.789 -3.680 1.00 0.00 O ATOM 0 H GLY B 20 -0.012 -8.706 -2.941 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -0.318 -9.896 -4.895 1.00 0.00 H new ATOM 0 HA3 GLY B 20 1.242 -10.661 -4.666 1.00 0.00 H new ATOM 608 N GLU B 21 0.362 -12.720 -3.387 1.00 0.00 N ATOM 609 CA GLU B 21 -0.260 -14.001 -2.945 1.00 0.00 C ATOM 610 C GLU B 21 -1.300 -13.717 -1.860 1.00 0.00 C ATOM 611 O GLU B 21 -2.315 -14.379 -1.773 1.00 0.00 O ATOM 612 CB GLU B 21 0.821 -14.929 -2.386 1.00 0.00 C ATOM 613 CG GLU B 21 1.699 -14.160 -1.397 1.00 0.00 C ATOM 614 CD GLU B 21 3.133 -14.692 -1.465 1.00 0.00 C ATOM 615 OE1 GLU B 21 3.889 -14.200 -2.285 1.00 0.00 O ATOM 616 OE2 GLU B 21 3.448 -15.583 -0.693 1.00 0.00 O ATOM 0 H GLU B 21 1.382 -12.714 -3.401 1.00 0.00 H new ATOM 0 HA GLU B 21 -0.745 -14.480 -3.796 1.00 0.00 H new ATOM 0 HB2 GLU B 21 0.360 -15.783 -1.890 1.00 0.00 H new ATOM 0 HB3 GLU B 21 1.431 -15.323 -3.199 1.00 0.00 H new ATOM 0 HG2 GLU B 21 1.683 -13.096 -1.632 1.00 0.00 H new ATOM 0 HG3 GLU B 21 1.307 -14.269 -0.386 1.00 0.00 H new ATOM 623 N ARG B 22 -1.058 -12.739 -1.030 1.00 0.00 N ATOM 624 CA ARG B 22 -2.037 -12.420 0.046 1.00 0.00 C ATOM 625 C ARG B 22 -3.310 -11.853 -0.576 1.00 0.00 C ATOM 626 O ARG B 22 -4.367 -11.867 0.022 1.00 0.00 O ATOM 627 CB ARG B 22 -1.432 -11.392 1.003 1.00 0.00 C ATOM 628 CG ARG B 22 -0.888 -12.110 2.238 1.00 0.00 C ATOM 629 CD ARG B 22 -2.043 -12.454 3.178 1.00 0.00 C ATOM 630 NE ARG B 22 -1.531 -12.563 4.570 1.00 0.00 N ATOM 631 CZ ARG B 22 -2.342 -12.876 5.542 1.00 0.00 C ATOM 632 NH1 ARG B 22 -3.472 -12.237 5.679 1.00 0.00 N ATOM 633 NH2 ARG B 22 -2.027 -13.831 6.373 1.00 0.00 N ATOM 0 H ARG B 22 -0.226 -12.149 -1.051 1.00 0.00 H new ATOM 0 HA ARG B 22 -2.277 -13.329 0.598 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -0.633 -10.842 0.506 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -2.187 -10.662 1.296 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -0.363 -13.018 1.942 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -0.164 -11.476 2.751 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -2.814 -11.685 3.121 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -2.506 -13.393 2.875 1.00 0.00 H new ATOM 0 HE ARG B 22 -0.544 -12.393 4.765 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -3.720 -11.494 5.026 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -4.107 -12.481 6.439 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -1.146 -14.333 6.263 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -2.662 -14.076 7.133 1.00 0.00 H new ATOM 647 N GLY B 23 -3.220 -11.361 -1.778 1.00 0.00 N ATOM 648 CA GLY B 23 -4.428 -10.803 -2.444 1.00 0.00 C ATOM 649 C GLY B 23 -4.543 -9.302 -2.154 1.00 0.00 C ATOM 650 O GLY B 23 -4.161 -8.839 -1.098 1.00 0.00 O ATOM 0 H GLY B 23 -2.362 -11.321 -2.329 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -4.370 -10.970 -3.520 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -5.320 -11.319 -2.089 1.00 0.00 H new ATOM 654 N PHE B 24 -5.094 -8.537 -3.063 1.00 0.00 N ATOM 655 CA PHE B 24 -5.260 -7.076 -2.798 1.00 0.00 C ATOM 656 C PHE B 24 -6.569 -6.615 -3.446 1.00 0.00 C ATOM 657 O PHE B 24 -7.061 -7.235 -4.367 1.00 0.00 O ATOM 658 CB PHE B 24 -4.081 -6.265 -3.360 1.00 0.00 C ATOM 659 CG PHE B 24 -4.015 -6.377 -4.872 1.00 0.00 C ATOM 660 CD1 PHE B 24 -5.018 -5.796 -5.663 1.00 0.00 C ATOM 661 CD2 PHE B 24 -2.948 -7.052 -5.485 1.00 0.00 C ATOM 662 CE1 PHE B 24 -4.957 -5.892 -7.057 1.00 0.00 C ATOM 663 CE2 PHE B 24 -2.889 -7.146 -6.880 1.00 0.00 C ATOM 664 CZ PHE B 24 -3.894 -6.569 -7.667 1.00 0.00 C ATOM 0 H PHE B 24 -5.433 -8.858 -3.970 1.00 0.00 H new ATOM 0 HA PHE B 24 -5.286 -6.909 -1.721 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -4.186 -5.219 -3.074 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -3.148 -6.623 -2.924 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -5.839 -5.274 -5.194 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -2.173 -7.499 -4.880 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -5.730 -5.444 -7.663 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -2.067 -7.664 -7.351 1.00 0.00 H new ATOM 0 HZ PHE B 24 -3.849 -6.646 -8.743 1.00 0.00 H new ATOM 674 N PHE B 25 -7.154 -5.551 -2.964 1.00 0.00 N ATOM 675 CA PHE B 25 -8.447 -5.086 -3.555 1.00 0.00 C ATOM 676 C PHE B 25 -8.217 -3.917 -4.517 1.00 0.00 C ATOM 677 O PHE B 25 -8.036 -4.121 -5.697 1.00 0.00 O ATOM 678 CB PHE B 25 -9.428 -4.656 -2.447 1.00 0.00 C ATOM 679 CG PHE B 25 -8.723 -4.564 -1.113 1.00 0.00 C ATOM 680 CD1 PHE B 25 -8.364 -5.733 -0.430 1.00 0.00 C ATOM 681 CD2 PHE B 25 -8.431 -3.311 -0.558 1.00 0.00 C ATOM 682 CE1 PHE B 25 -7.712 -5.650 0.808 1.00 0.00 C ATOM 683 CE2 PHE B 25 -7.778 -3.228 0.680 1.00 0.00 C ATOM 684 CZ PHE B 25 -7.420 -4.398 1.363 1.00 0.00 C ATOM 0 H PHE B 25 -6.798 -4.986 -2.193 1.00 0.00 H new ATOM 0 HA PHE B 25 -8.878 -5.920 -4.109 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -9.868 -3.691 -2.699 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -10.247 -5.372 -2.382 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -8.590 -6.699 -0.857 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -8.709 -2.409 -1.084 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -7.435 -6.552 1.334 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -7.551 -2.262 1.107 1.00 0.00 H new ATOM 0 HZ PHE B 25 -6.919 -4.334 2.318 1.00 0.00 H new ATOM 694 N TYR B 26 -8.253 -2.708 -4.005 1.00 0.00 N ATOM 695 CA TYR B 26 -8.072 -1.464 -4.837 1.00 0.00 C ATOM 696 C TYR B 26 -9.444 -0.859 -5.134 1.00 0.00 C ATOM 697 O TYR B 26 -9.942 -0.938 -6.239 1.00 0.00 O ATOM 698 CB TYR B 26 -7.361 -1.746 -6.168 1.00 0.00 C ATOM 699 CG TYR B 26 -7.292 -0.468 -6.976 1.00 0.00 C ATOM 700 CD1 TYR B 26 -6.567 0.631 -6.496 1.00 0.00 C ATOM 701 CD2 TYR B 26 -7.959 -0.384 -8.206 1.00 0.00 C ATOM 702 CE1 TYR B 26 -6.510 1.813 -7.247 1.00 0.00 C ATOM 703 CE2 TYR B 26 -7.902 0.798 -8.956 1.00 0.00 C ATOM 704 CZ TYR B 26 -7.177 1.897 -8.476 1.00 0.00 C ATOM 705 OH TYR B 26 -7.120 3.062 -9.213 1.00 0.00 O ATOM 0 H TYR B 26 -8.405 -2.523 -3.014 1.00 0.00 H new ATOM 0 HA TYR B 26 -7.450 -0.776 -4.265 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -6.357 -2.129 -5.984 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -7.898 -2.514 -6.725 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -6.053 0.567 -5.548 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -8.517 -1.231 -8.576 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -5.951 2.660 -6.878 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -8.416 0.862 -9.903 1.00 0.00 H new ATOM 0 HH TYR B 26 -7.635 2.952 -10.039 1.00 0.00 H new ATOM 715 N THR B 27 -10.061 -0.254 -4.154 1.00 0.00 N ATOM 716 CA THR B 27 -11.401 0.355 -4.381 1.00 0.00 C ATOM 717 C THR B 27 -11.229 1.806 -4.835 1.00 0.00 C ATOM 718 O THR B 27 -10.794 2.656 -4.082 1.00 0.00 O ATOM 719 CB THR B 27 -12.206 0.312 -3.080 1.00 0.00 C ATOM 720 OG1 THR B 27 -12.224 -1.018 -2.582 1.00 0.00 O ATOM 721 CG2 THR B 27 -13.638 0.776 -3.349 1.00 0.00 C ATOM 0 H THR B 27 -9.694 -0.156 -3.207 1.00 0.00 H new ATOM 0 HA THR B 27 -11.932 -0.203 -5.152 1.00 0.00 H new ATOM 0 HB THR B 27 -11.745 0.971 -2.344 1.00 0.00 H new ATOM 0 HG1 THR B 27 -12.737 -1.048 -1.748 1.00 0.00 H new ATOM 0 HG21 THR B 27 -14.211 0.745 -2.422 1.00 0.00 H new ATOM 0 HG22 THR B 27 -13.624 1.796 -3.733 1.00 0.00 H new ATOM 0 HG23 THR B 27 -14.102 0.118 -4.084 1.00 0.00 H new ATOM 729 N LYS B 28 -11.565 2.097 -6.062 1.00 0.00 N ATOM 730 CA LYS B 28 -11.422 3.492 -6.568 1.00 0.00 C ATOM 731 C LYS B 28 -11.827 3.538 -8.048 1.00 0.00 C ATOM 732 O LYS B 28 -11.098 3.064 -8.897 1.00 0.00 O ATOM 733 CB LYS B 28 -9.964 3.937 -6.428 1.00 0.00 C ATOM 734 CG LYS B 28 -9.789 5.320 -7.064 1.00 0.00 C ATOM 735 CD LYS B 28 -9.373 6.331 -5.991 1.00 0.00 C ATOM 736 CE LYS B 28 -9.627 7.751 -6.504 1.00 0.00 C ATOM 737 NZ LYS B 28 -9.061 8.737 -5.542 1.00 0.00 N ATOM 0 H LYS B 28 -11.933 1.427 -6.738 1.00 0.00 H new ATOM 0 HA LYS B 28 -12.064 4.158 -5.991 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -9.682 3.971 -5.376 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -9.305 3.216 -6.912 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -9.034 5.277 -7.849 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -10.721 5.636 -7.534 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -9.937 6.158 -5.074 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -8.319 6.204 -5.746 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -9.170 7.881 -7.485 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -10.697 7.919 -6.625 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -9.234 9.701 -5.891 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -9.516 8.618 -4.615 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -8.037 8.581 -5.448 1.00 0.00 H new ATOM 751 N PRO B 29 -12.976 4.107 -8.315 1.00 0.00 N ATOM 752 CA PRO B 29 -13.500 4.225 -9.687 1.00 0.00 C ATOM 753 C PRO B 29 -12.790 5.360 -10.431 1.00 0.00 C ATOM 754 O PRO B 29 -13.119 6.518 -10.275 1.00 0.00 O ATOM 755 CB PRO B 29 -14.981 4.551 -9.482 1.00 0.00 C ATOM 756 CG PRO B 29 -15.102 5.151 -8.061 1.00 0.00 C ATOM 757 CD PRO B 29 -13.859 4.686 -7.280 1.00 0.00 C ATOM 0 HA PRO B 29 -13.347 3.325 -10.283 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -15.331 5.259 -10.234 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -15.593 3.654 -9.579 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -15.149 6.239 -8.103 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -16.016 4.811 -7.573 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -13.378 5.518 -6.766 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -14.119 3.949 -6.520 1.00 0.00 H new ATOM 765 N THR B 30 -11.817 5.035 -11.237 1.00 0.00 N ATOM 766 CA THR B 30 -11.087 6.095 -11.987 1.00 0.00 C ATOM 767 C THR B 30 -10.304 6.968 -11.004 1.00 0.00 C ATOM 768 O THR B 30 -10.568 6.870 -9.816 1.00 0.00 O ATOM 769 CB THR B 30 -12.088 6.961 -12.753 1.00 0.00 C ATOM 770 OG1 THR B 30 -13.044 6.125 -13.386 1.00 0.00 O ATOM 771 CG2 THR B 30 -11.352 7.788 -13.809 1.00 0.00 C ATOM 772 OXT THR B 30 -9.454 7.718 -11.454 1.00 0.00 O ATOM 0 H THR B 30 -11.496 4.082 -11.408 1.00 0.00 H new ATOM 0 HA THR B 30 -10.396 5.631 -12.691 1.00 0.00 H new ATOM 0 HB THR B 30 -12.593 7.633 -12.059 1.00 0.00 H new ATOM 0 HG1 THR B 30 -13.688 6.677 -13.876 1.00 0.00 H new ATOM 0 HG21 THR B 30 -12.068 8.404 -14.353 1.00 0.00 H new ATOM 0 HG22 THR B 30 -10.618 8.430 -13.322 1.00 0.00 H new ATOM 0 HG23 THR B 30 -10.845 7.120 -14.506 1.00 0.00 H new TER 780 THR B 30