USER MOD reduce.3.24.130724 H: found=0, std=0, add=375, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 374 hydrogens (5 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 24 DAL H : B 24 DAL N : B 23 GLY C :(H bumps) USER MOD Set 1.1: B 26 TYR OH : rot 180:sc= -0.863 USER MOD Set 1.2: B 28 LYS NZ :NH3+ 174:sc= 0.704 (180deg=0) USER MOD Set 2.1: B 16 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: B 27 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 12 SER OG : rot 127:sc= 0.762! USER MOD Set 3.2: A 14 TYR OH : rot -106:sc= 0.0027 USER MOD Set 3.3: A 15 GLN :FLIP amide:sc= 0.688 F(o=-0.97,f=1.5) USER MOD Single : A 1 GLY N :NH3+ 180:sc= -0.0195 (180deg=-0.0195) USER MOD Single : A 5 GLN : amide:sc= -0.366 X(o=-0.37,f=-0.13) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.444 X(o=-0.44,f=-0.048) USER MOD Single : A 19 TYR OH : rot 180:sc= -0.442 USER MOD Single : A 21 ASN : amide:sc= 0.366 X(o=0.37,f=-0.11) USER MOD Single : B 1 PHE N :NH3+ 148:sc= 0.441 (180deg=-0.353!) USER MOD Single : B 3 ASN : amide:sc= -4.16! C(o=-4.2!,f=-4.1!) USER MOD Single : B 4 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : B 5 HIS :FLIP no HD1:sc= -0.112 F(o=-2.5,f=-0.11) USER MOD Single : B 9 SER OG : rot 180:sc= -0.0832 USER MOD Single : B 30 THR OG1 : rot -61:sc= 0.759 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.064 2.097 3.918 1.00 0.00 N ATOM 2 CA GLY A 1 -7.982 2.488 4.924 1.00 0.00 C ATOM 3 C GLY A 1 -6.568 2.609 4.466 1.00 0.00 C ATOM 4 O GLY A 1 -5.687 2.955 5.227 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.986 2.058 4.398 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.100 2.803 3.155 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.843 1.164 3.516 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.269 3.446 5.358 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.004 1.754 5.730 1.00 0.00 H new ATOM 10 N ILE A 2 -6.313 2.330 3.218 1.00 0.00 N ATOM 11 CA ILE A 2 -4.921 2.432 2.700 1.00 0.00 C ATOM 12 C ILE A 2 -4.718 3.803 2.051 1.00 0.00 C ATOM 13 O ILE A 2 -3.979 4.631 2.543 1.00 0.00 O ATOM 14 CB ILE A 2 -4.686 1.340 1.654 1.00 0.00 C ATOM 15 CG1 ILE A 2 -4.673 -0.029 2.336 1.00 0.00 C ATOM 16 CG2 ILE A 2 -3.344 1.579 0.966 1.00 0.00 C ATOM 17 CD1 ILE A 2 -4.377 -1.111 1.296 1.00 0.00 C ATOM 0 H ILE A 2 -7.010 2.035 2.534 1.00 0.00 H new ATOM 0 HA ILE A 2 -4.218 2.309 3.524 1.00 0.00 H new ATOM 0 HB ILE A 2 -5.486 1.367 0.914 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -3.919 -0.049 3.123 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -5.635 -0.220 2.812 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -3.174 0.802 0.220 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -3.353 2.554 0.479 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -2.545 1.551 1.707 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -4.367 -2.088 1.780 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -5.148 -1.095 0.525 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -3.405 -0.922 0.841 1.00 0.00 H new ATOM 29 N VAL A 3 -5.370 4.039 0.947 1.00 0.00 N ATOM 30 CA VAL A 3 -5.225 5.347 0.249 1.00 0.00 C ATOM 31 C VAL A 3 -5.213 6.486 1.269 1.00 0.00 C ATOM 32 O VAL A 3 -4.435 7.413 1.168 1.00 0.00 O ATOM 33 CB VAL A 3 -6.398 5.534 -0.710 1.00 0.00 C ATOM 34 CG1 VAL A 3 -6.465 4.342 -1.663 1.00 0.00 C ATOM 35 CG2 VAL A 3 -7.697 5.620 0.092 1.00 0.00 C ATOM 0 H VAL A 3 -6.001 3.377 0.495 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.287 5.359 -0.306 1.00 0.00 H new ATOM 0 HB VAL A 3 -6.263 6.451 -1.283 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -7.302 4.472 -2.350 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.537 4.277 -2.230 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -6.605 3.425 -1.090 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -8.537 5.754 -0.589 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -7.834 4.701 0.662 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -7.647 6.467 0.776 1.00 0.00 H new ATOM 45 N GLU A 4 -6.074 6.429 2.246 1.00 0.00 N ATOM 46 CA GLU A 4 -6.115 7.512 3.264 1.00 0.00 C ATOM 47 C GLU A 4 -4.689 7.900 3.668 1.00 0.00 C ATOM 48 O GLU A 4 -4.350 9.065 3.736 1.00 0.00 O ATOM 49 CB GLU A 4 -6.885 7.028 4.495 1.00 0.00 C ATOM 50 CG GLU A 4 -6.048 5.995 5.253 1.00 0.00 C ATOM 51 CD GLU A 4 -6.869 5.423 6.410 1.00 0.00 C ATOM 52 OE1 GLU A 4 -7.838 6.059 6.793 1.00 0.00 O ATOM 53 OE2 GLU A 4 -6.516 4.361 6.892 1.00 0.00 O ATOM 0 H GLU A 4 -6.751 5.678 2.383 1.00 0.00 H new ATOM 0 HA GLU A 4 -6.616 8.383 2.842 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.117 7.871 5.146 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -7.835 6.589 4.192 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -5.742 5.194 4.580 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.137 6.457 5.633 1.00 0.00 H new ATOM 60 N GLN A 5 -3.853 6.937 3.945 1.00 0.00 N ATOM 61 CA GLN A 5 -2.455 7.263 4.351 1.00 0.00 C ATOM 62 C GLN A 5 -1.481 6.953 3.210 1.00 0.00 C ATOM 63 O GLN A 5 -0.463 7.600 3.065 1.00 0.00 O ATOM 64 CB GLN A 5 -2.075 6.436 5.579 1.00 0.00 C ATOM 65 CG GLN A 5 -2.543 7.158 6.845 1.00 0.00 C ATOM 66 CD GLN A 5 -1.648 8.373 7.099 1.00 0.00 C ATOM 67 OE1 GLN A 5 -0.467 8.231 7.345 1.00 0.00 O ATOM 68 NE2 GLN A 5 -2.165 9.570 7.050 1.00 0.00 N ATOM 0 H GLN A 5 -4.075 5.942 3.908 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.397 8.326 4.587 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -2.532 5.448 5.521 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -0.996 6.287 5.610 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -3.580 7.474 6.734 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -2.505 6.480 7.698 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -3.157 9.689 6.843 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -1.577 10.387 7.218 1.00 0.00 H new ATOM 77 N CYS A 6 -1.771 5.967 2.404 1.00 0.00 N ATOM 78 CA CYS A 6 -0.841 5.628 1.290 1.00 0.00 C ATOM 79 C CYS A 6 -1.184 6.461 0.057 1.00 0.00 C ATOM 80 O CYS A 6 -0.477 6.444 -0.931 1.00 0.00 O ATOM 81 CB CYS A 6 -0.967 4.142 0.953 1.00 0.00 C ATOM 82 SG CYS A 6 0.315 3.214 1.832 1.00 0.00 S ATOM 0 H CYS A 6 -2.606 5.385 2.468 1.00 0.00 H new ATOM 0 HA CYS A 6 0.182 5.846 1.598 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -1.954 3.776 1.236 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -0.867 3.992 -0.122 1.00 0.00 H new ATOM 87 N CYS A 7 -2.264 7.188 0.102 1.00 0.00 N ATOM 88 CA CYS A 7 -2.648 8.015 -1.075 1.00 0.00 C ATOM 89 C CYS A 7 -2.882 9.465 -0.643 1.00 0.00 C ATOM 90 O CYS A 7 -2.962 10.357 -1.464 1.00 0.00 O ATOM 91 CB CYS A 7 -3.934 7.456 -1.684 1.00 0.00 C ATOM 92 SG CYS A 7 -4.545 8.590 -2.954 1.00 0.00 S ATOM 0 H CYS A 7 -2.896 7.246 0.900 1.00 0.00 H new ATOM 0 HA CYS A 7 -1.845 7.987 -1.811 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.746 6.474 -2.118 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -4.688 7.322 -0.908 1.00 0.00 H new ATOM 97 N THR A 8 -2.999 9.712 0.634 1.00 0.00 N ATOM 98 CA THR A 8 -3.237 11.107 1.096 1.00 0.00 C ATOM 99 C THR A 8 -2.026 11.592 1.903 1.00 0.00 C ATOM 100 O THR A 8 -1.831 12.777 2.089 1.00 0.00 O ATOM 101 CB THR A 8 -4.533 11.142 1.936 1.00 0.00 C ATOM 102 OG1 THR A 8 -5.492 11.953 1.273 1.00 0.00 O ATOM 103 CG2 THR A 8 -4.283 11.712 3.340 1.00 0.00 C ATOM 0 H THR A 8 -2.940 9.011 1.373 1.00 0.00 H new ATOM 0 HA THR A 8 -3.361 11.777 0.245 1.00 0.00 H new ATOM 0 HB THR A 8 -4.896 10.120 2.043 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.318 11.979 1.799 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.218 11.721 3.901 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.553 11.091 3.860 1.00 0.00 H new ATOM 0 HG23 THR A 8 -3.900 12.729 3.257 1.00 0.00 H new ATOM 111 N SER A 9 -1.214 10.691 2.383 1.00 0.00 N ATOM 112 CA SER A 9 -0.027 11.121 3.172 1.00 0.00 C ATOM 113 C SER A 9 1.238 10.487 2.596 1.00 0.00 C ATOM 114 O SER A 9 2.006 11.136 1.917 1.00 0.00 O ATOM 115 CB SER A 9 -0.208 10.712 4.637 1.00 0.00 C ATOM 116 OG SER A 9 0.250 11.766 5.474 1.00 0.00 O ATOM 0 H SER A 9 -1.320 9.683 2.264 1.00 0.00 H new ATOM 0 HA SER A 9 0.071 12.205 3.117 1.00 0.00 H new ATOM 0 HB2 SER A 9 -1.257 10.499 4.841 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.349 9.798 4.844 1.00 0.00 H new ATOM 0 HG SER A 9 0.135 11.511 6.413 1.00 0.00 H new ATOM 122 N ILE A 10 1.462 9.229 2.850 1.00 0.00 N ATOM 123 CA ILE A 10 2.685 8.563 2.313 1.00 0.00 C ATOM 124 C ILE A 10 2.485 7.044 2.314 1.00 0.00 C ATOM 125 O ILE A 10 1.600 6.523 2.964 1.00 0.00 O ATOM 126 CB ILE A 10 3.891 8.917 3.196 1.00 0.00 C ATOM 127 CG1 ILE A 10 4.357 10.343 2.893 1.00 0.00 C ATOM 128 CG2 ILE A 10 5.044 7.947 2.920 1.00 0.00 C ATOM 129 CD1 ILE A 10 4.604 10.495 1.390 1.00 0.00 C ATOM 0 H ILE A 10 0.852 8.631 3.407 1.00 0.00 H new ATOM 0 HA ILE A 10 2.865 8.906 1.294 1.00 0.00 H new ATOM 0 HB ILE A 10 3.593 8.842 4.242 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.605 11.060 3.222 1.00 0.00 H new ATOM 0 HG13 ILE A 10 5.270 10.563 3.446 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.895 8.205 3.550 1.00 0.00 H new ATOM 0 HG22 ILE A 10 4.724 6.929 3.141 1.00 0.00 H new ATOM 0 HG23 ILE A 10 5.335 8.016 1.872 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.936 11.511 1.177 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.372 9.789 1.074 1.00 0.00 H new ATOM 0 HD13 ILE A 10 3.680 10.293 0.847 1.00 0.00 H new ATOM 141 N CYS A 11 3.312 6.330 1.598 1.00 0.00 N ATOM 142 CA CYS A 11 3.185 4.845 1.560 1.00 0.00 C ATOM 143 C CYS A 11 4.575 4.220 1.709 1.00 0.00 C ATOM 144 O CYS A 11 5.255 3.957 0.738 1.00 0.00 O ATOM 145 CB CYS A 11 2.576 4.421 0.223 1.00 0.00 C ATOM 146 SG CYS A 11 1.713 2.843 0.423 1.00 0.00 S ATOM 0 H CYS A 11 4.072 6.713 1.036 1.00 0.00 H new ATOM 0 HA CYS A 11 2.542 4.509 2.373 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.883 5.184 -0.131 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.358 4.327 -0.531 1.00 0.00 H new ATOM 151 N SER A 12 5.007 3.988 2.920 1.00 0.00 N ATOM 152 CA SER A 12 6.355 3.391 3.130 1.00 0.00 C ATOM 153 C SER A 12 6.289 1.871 2.969 1.00 0.00 C ATOM 154 O SER A 12 5.226 1.291 2.870 1.00 0.00 O ATOM 155 CB SER A 12 6.841 3.731 4.537 1.00 0.00 C ATOM 156 OG SER A 12 5.726 4.072 5.350 1.00 0.00 O ATOM 0 H SER A 12 4.483 4.187 3.772 1.00 0.00 H new ATOM 0 HA SER A 12 7.045 3.796 2.390 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.372 2.881 4.966 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.546 4.561 4.500 1.00 0.00 H new ATOM 0 HG SER A 12 5.735 3.526 6.164 1.00 0.00 H new ATOM 162 N LEU A 13 7.423 1.224 2.942 1.00 0.00 N ATOM 163 CA LEU A 13 7.438 -0.258 2.788 1.00 0.00 C ATOM 164 C LEU A 13 6.911 -0.914 4.067 1.00 0.00 C ATOM 165 O LEU A 13 6.375 -2.004 4.040 1.00 0.00 O ATOM 166 CB LEU A 13 8.872 -0.726 2.531 1.00 0.00 C ATOM 167 CG LEU A 13 8.918 -1.526 1.229 1.00 0.00 C ATOM 168 CD1 LEU A 13 8.211 -2.867 1.426 1.00 0.00 C ATOM 169 CD2 LEU A 13 8.220 -0.737 0.118 1.00 0.00 C ATOM 0 H LEU A 13 8.342 1.660 3.020 1.00 0.00 H new ATOM 0 HA LEU A 13 6.803 -0.541 1.948 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.541 0.132 2.467 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.220 -1.341 3.361 1.00 0.00 H new ATOM 0 HG LEU A 13 9.957 -1.703 0.950 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.245 -3.436 0.497 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.711 -3.430 2.214 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.172 -2.693 1.707 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.253 -1.308 -0.810 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.182 -0.557 0.397 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.728 0.217 -0.025 1.00 0.00 H new ATOM 181 N TYR A 14 7.057 -0.259 5.186 1.00 0.00 N ATOM 182 CA TYR A 14 6.562 -0.849 6.461 1.00 0.00 C ATOM 183 C TYR A 14 5.058 -0.598 6.590 1.00 0.00 C ATOM 184 O TYR A 14 4.343 -1.357 7.214 1.00 0.00 O ATOM 185 CB TYR A 14 7.291 -0.204 7.642 1.00 0.00 C ATOM 186 CG TYR A 14 6.895 1.250 7.748 1.00 0.00 C ATOM 187 CD1 TYR A 14 5.657 1.600 8.302 1.00 0.00 C ATOM 188 CD2 TYR A 14 7.767 2.248 7.292 1.00 0.00 C ATOM 189 CE1 TYR A 14 5.288 2.948 8.400 1.00 0.00 C ATOM 190 CE2 TYR A 14 7.398 3.596 7.390 1.00 0.00 C ATOM 191 CZ TYR A 14 6.160 3.946 7.943 1.00 0.00 C ATOM 192 OH TYR A 14 5.798 5.274 8.040 1.00 0.00 O ATOM 0 H TYR A 14 7.497 0.657 5.272 1.00 0.00 H new ATOM 0 HA TYR A 14 6.752 -1.922 6.461 1.00 0.00 H new ATOM 0 HB2 TYR A 14 7.043 -0.727 8.565 1.00 0.00 H new ATOM 0 HB3 TYR A 14 8.369 -0.289 7.507 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.986 0.830 8.654 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.722 1.978 6.866 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.333 3.218 8.827 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.069 4.366 7.039 1.00 0.00 H new ATOM 0 HH TYR A 14 5.565 5.615 7.151 1.00 0.00 H new ATOM 202 N GLN A 15 4.571 0.462 6.003 1.00 0.00 N ATOM 203 CA GLN A 15 3.114 0.758 6.090 1.00 0.00 C ATOM 204 C GLN A 15 2.336 -0.265 5.271 1.00 0.00 C ATOM 205 O GLN A 15 1.410 -0.882 5.759 1.00 0.00 O ATOM 206 CB GLN A 15 2.842 2.163 5.550 1.00 0.00 C ATOM 207 CG GLN A 15 2.128 2.991 6.621 1.00 0.00 C ATOM 208 CD GLN A 15 2.193 4.473 6.249 1.00 0.00 C ATOM 209 OE1 GLN A 15 1.085 5.156 6.143 1.00 0.00 O flip ATOM 210 NE2 GLN A 15 3.262 5.015 6.050 1.00 0.00 N flip ATOM 0 H GLN A 15 5.120 1.135 5.468 1.00 0.00 H new ATOM 0 HA GLN A 15 2.796 0.705 7.131 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.779 2.644 5.268 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.229 2.106 4.650 1.00 0.00 H new ATOM 0 HG2 GLN A 15 1.089 2.673 6.709 1.00 0.00 H new ATOM 0 HG3 GLN A 15 2.595 2.828 7.592 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.127 4.482 6.133 1.00 0.00 H new ATOM 0 HE22 GLN A 15 3.294 6.003 5.800 1.00 0.00 H new ATOM 219 N LEU A 16 2.696 -0.461 4.035 1.00 0.00 N ATOM 220 CA LEU A 16 1.961 -1.451 3.224 1.00 0.00 C ATOM 221 C LEU A 16 2.265 -2.842 3.784 1.00 0.00 C ATOM 222 O LEU A 16 1.523 -3.782 3.581 1.00 0.00 O ATOM 223 CB LEU A 16 2.368 -1.296 1.745 1.00 0.00 C ATOM 224 CG LEU A 16 3.377 -2.361 1.297 1.00 0.00 C ATOM 225 CD1 LEU A 16 4.555 -2.399 2.263 1.00 0.00 C ATOM 226 CD2 LEU A 16 2.695 -3.732 1.251 1.00 0.00 C ATOM 0 H LEU A 16 3.461 0.019 3.560 1.00 0.00 H new ATOM 0 HA LEU A 16 0.883 -1.296 3.273 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.478 -1.357 1.119 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.798 -0.306 1.592 1.00 0.00 H new ATOM 0 HG LEU A 16 3.744 -2.110 0.302 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.267 -3.158 1.938 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.044 -1.425 2.279 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.197 -2.642 3.264 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.415 -4.486 0.932 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.319 -3.985 2.242 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.865 -3.702 0.545 1.00 0.00 H new ATOM 238 N GLU A 17 3.339 -2.971 4.520 1.00 0.00 N ATOM 239 CA GLU A 17 3.668 -4.286 5.122 1.00 0.00 C ATOM 240 C GLU A 17 2.577 -4.582 6.135 1.00 0.00 C ATOM 241 O GLU A 17 2.169 -5.709 6.338 1.00 0.00 O ATOM 242 CB GLU A 17 5.028 -4.209 5.820 1.00 0.00 C ATOM 243 CG GLU A 17 6.101 -4.823 4.919 1.00 0.00 C ATOM 244 CD GLU A 17 6.367 -6.266 5.353 1.00 0.00 C ATOM 245 OE1 GLU A 17 6.172 -6.559 6.521 1.00 0.00 O ATOM 246 OE2 GLU A 17 6.763 -7.053 4.510 1.00 0.00 O ATOM 0 H GLU A 17 3.998 -2.220 4.727 1.00 0.00 H new ATOM 0 HA GLU A 17 3.723 -5.069 4.365 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.276 -3.171 6.043 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.991 -4.739 6.772 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.775 -4.799 3.879 1.00 0.00 H new ATOM 0 HG3 GLU A 17 7.019 -4.239 4.979 1.00 0.00 H new ATOM 253 N ASN A 18 2.078 -3.545 6.736 1.00 0.00 N ATOM 254 CA ASN A 18 0.974 -3.687 7.711 1.00 0.00 C ATOM 255 C ASN A 18 -0.286 -4.056 6.933 1.00 0.00 C ATOM 256 O ASN A 18 -1.204 -4.663 7.448 1.00 0.00 O ATOM 257 CB ASN A 18 0.777 -2.350 8.428 1.00 0.00 C ATOM 258 CG ASN A 18 1.420 -2.411 9.814 1.00 0.00 C ATOM 259 OD1 ASN A 18 0.921 -1.822 10.754 1.00 0.00 O ATOM 260 ND2 ASN A 18 2.512 -3.104 9.985 1.00 0.00 N ATOM 0 H ASN A 18 2.396 -2.587 6.589 1.00 0.00 H new ATOM 0 HA ASN A 18 1.194 -4.457 8.451 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.222 -1.544 7.845 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.286 -2.128 8.519 1.00 0.00 H new ATOM 0 HD21 ASN A 18 2.947 -3.152 10.906 1.00 0.00 H new ATOM 0 HD22 ASN A 18 2.931 -3.598 9.197 1.00 0.00 H new ATOM 267 N TYR A 19 -0.316 -3.694 5.679 1.00 0.00 N ATOM 268 CA TYR A 19 -1.489 -4.011 4.821 1.00 0.00 C ATOM 269 C TYR A 19 -1.439 -5.490 4.424 1.00 0.00 C ATOM 270 O TYR A 19 -2.456 -6.124 4.229 1.00 0.00 O ATOM 271 CB TYR A 19 -1.429 -3.140 3.562 1.00 0.00 C ATOM 272 CG TYR A 19 -1.672 -1.687 3.916 1.00 0.00 C ATOM 273 CD1 TYR A 19 -2.233 -1.335 5.155 1.00 0.00 C ATOM 274 CD2 TYR A 19 -1.328 -0.685 2.999 1.00 0.00 C ATOM 275 CE1 TYR A 19 -2.451 0.014 5.469 1.00 0.00 C ATOM 276 CE2 TYR A 19 -1.546 0.663 3.315 1.00 0.00 C ATOM 277 CZ TYR A 19 -2.106 1.011 4.549 1.00 0.00 C ATOM 278 OH TYR A 19 -2.319 2.339 4.860 1.00 0.00 O ATOM 0 H TYR A 19 0.433 -3.186 5.209 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.414 -3.814 5.363 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.455 -3.247 3.084 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.176 -3.476 2.843 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -2.497 -2.104 5.866 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -0.894 -0.952 2.047 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.885 0.284 6.420 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -1.282 1.433 2.606 1.00 0.00 H new ATOM 0 HH TYR A 19 -2.024 2.901 4.114 1.00 0.00 H new ATOM 288 N CYS A 20 -0.262 -6.045 4.305 1.00 0.00 N ATOM 289 CA CYS A 20 -0.149 -7.482 3.924 1.00 0.00 C ATOM 290 C CYS A 20 0.077 -8.327 5.180 1.00 0.00 C ATOM 291 O CYS A 20 0.970 -9.148 5.234 1.00 0.00 O ATOM 292 CB CYS A 20 1.032 -7.671 2.967 1.00 0.00 C ATOM 293 SG CYS A 20 2.575 -7.284 3.829 1.00 0.00 S ATOM 0 H CYS A 20 0.625 -5.565 4.455 1.00 0.00 H new ATOM 0 HA CYS A 20 -1.069 -7.797 3.431 1.00 0.00 H new ATOM 0 HB2 CYS A 20 1.056 -8.697 2.600 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.916 -7.024 2.098 1.00 0.00 H new ATOM 298 N ASN A 21 -0.726 -8.131 6.190 1.00 0.00 N ATOM 299 CA ASN A 21 -0.555 -8.924 7.441 1.00 0.00 C ATOM 300 C ASN A 21 -1.576 -8.461 8.481 1.00 0.00 C ATOM 301 O ASN A 21 -2.421 -9.261 8.851 1.00 0.00 O ATOM 302 CB ASN A 21 0.859 -8.716 7.985 1.00 0.00 C ATOM 303 CG ASN A 21 1.555 -10.070 8.130 1.00 0.00 C ATOM 304 OD1 ASN A 21 1.435 -10.722 9.148 1.00 0.00 O ATOM 305 ND2 ASN A 21 2.284 -10.524 7.147 1.00 0.00 N ATOM 306 OXT ASN A 21 -1.496 -7.315 8.892 1.00 0.00 O ATOM 0 H ASN A 21 -1.492 -7.457 6.203 1.00 0.00 H new ATOM 0 HA ASN A 21 -0.710 -9.981 7.227 1.00 0.00 H new ATOM 0 HB2 ASN A 21 1.428 -8.073 7.313 1.00 0.00 H new ATOM 0 HB3 ASN A 21 0.818 -8.211 8.950 1.00 0.00 H new ATOM 0 HD21 ASN A 21 2.753 -11.426 7.234 1.00 0.00 H new ATOM 0 HD22 ASN A 21 2.385 -9.977 6.292 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 11.325 2.135 0.833 1.00 0.00 N ATOM 315 CA PHE B 1 12.107 3.078 -0.016 1.00 0.00 C ATOM 316 C PHE B 1 11.155 3.834 -0.947 1.00 0.00 C ATOM 317 O PHE B 1 11.561 4.389 -1.948 1.00 0.00 O ATOM 318 CB PHE B 1 13.120 2.292 -0.851 1.00 0.00 C ATOM 319 CG PHE B 1 12.491 0.941 -1.266 1.00 0.00 C ATOM 320 CD1 PHE B 1 12.455 -0.151 -0.362 1.00 0.00 C ATOM 321 CD2 PHE B 1 11.933 0.768 -2.556 1.00 0.00 C ATOM 322 CE1 PHE B 1 11.881 -1.369 -0.746 1.00 0.00 C ATOM 323 CE2 PHE B 1 11.362 -0.458 -2.923 1.00 0.00 C ATOM 324 CZ PHE B 1 11.338 -1.522 -2.022 1.00 0.00 C ATOM 0 H1 PHE B 1 11.902 1.295 1.040 1.00 0.00 H new ATOM 0 H2 PHE B 1 11.064 2.604 1.724 1.00 0.00 H new ATOM 0 H3 PHE B 1 10.463 1.847 0.328 1.00 0.00 H new ATOM 0 HA PHE B 1 12.634 3.789 0.620 1.00 0.00 H new ATOM 0 HB2 PHE B 1 13.403 2.863 -1.735 1.00 0.00 H new ATOM 0 HB3 PHE B 1 14.031 2.123 -0.276 1.00 0.00 H new ATOM 0 HD1 PHE B 1 12.873 -0.043 0.628 1.00 0.00 H new ATOM 0 HD2 PHE B 1 11.948 1.586 -3.261 1.00 0.00 H new ATOM 0 HE1 PHE B 1 11.858 -2.195 -0.050 1.00 0.00 H new ATOM 0 HE2 PHE B 1 10.938 -0.579 -3.909 1.00 0.00 H new ATOM 0 HZ PHE B 1 10.899 -2.465 -2.312 1.00 0.00 H new ATOM 336 N VAL B 2 9.891 3.860 -0.623 1.00 0.00 N ATOM 337 CA VAL B 2 8.915 4.580 -1.488 1.00 0.00 C ATOM 338 C VAL B 2 8.013 5.458 -0.617 1.00 0.00 C ATOM 339 O VAL B 2 6.845 5.181 -0.438 1.00 0.00 O ATOM 340 CB VAL B 2 8.063 3.565 -2.248 1.00 0.00 C ATOM 341 CG1 VAL B 2 7.216 2.769 -1.255 1.00 0.00 C ATOM 342 CG2 VAL B 2 7.144 4.300 -3.226 1.00 0.00 C ATOM 0 H VAL B 2 9.492 3.414 0.203 1.00 0.00 H new ATOM 0 HA VAL B 2 9.452 5.207 -2.200 1.00 0.00 H new ATOM 0 HB VAL B 2 8.712 2.886 -2.801 1.00 0.00 H new ATOM 0 HG11 VAL B 2 6.607 2.044 -1.795 1.00 0.00 H new ATOM 0 HG12 VAL B 2 7.869 2.246 -0.557 1.00 0.00 H new ATOM 0 HG13 VAL B 2 6.567 3.449 -0.704 1.00 0.00 H new ATOM 0 HG21 VAL B 2 6.536 3.576 -3.768 1.00 0.00 H new ATOM 0 HG22 VAL B 2 6.494 4.979 -2.674 1.00 0.00 H new ATOM 0 HG23 VAL B 2 7.747 4.870 -3.933 1.00 0.00 H new ATOM 352 N ASN B 3 8.550 6.514 -0.070 1.00 0.00 N ATOM 353 CA ASN B 3 7.729 7.409 0.793 1.00 0.00 C ATOM 354 C ASN B 3 6.958 8.403 -0.079 1.00 0.00 C ATOM 355 O ASN B 3 6.934 9.588 0.188 1.00 0.00 O ATOM 356 CB ASN B 3 8.650 8.173 1.746 1.00 0.00 C ATOM 357 CG ASN B 3 8.183 7.967 3.188 1.00 0.00 C ATOM 358 OD1 ASN B 3 7.905 8.919 3.889 1.00 0.00 O ATOM 359 ND2 ASN B 3 8.083 6.756 3.663 1.00 0.00 N ATOM 0 H ASN B 3 9.524 6.796 -0.184 1.00 0.00 H new ATOM 0 HA ASN B 3 7.021 6.811 1.367 1.00 0.00 H new ATOM 0 HB2 ASN B 3 9.677 7.825 1.633 1.00 0.00 H new ATOM 0 HB3 ASN B 3 8.644 9.235 1.500 1.00 0.00 H new ATOM 0 HD21 ASN B 3 7.771 6.609 4.623 1.00 0.00 H new ATOM 0 HD22 ASN B 3 8.316 5.956 3.074 1.00 0.00 H new ATOM 366 N GLN B 4 6.332 7.931 -1.123 1.00 0.00 N ATOM 367 CA GLN B 4 5.568 8.846 -2.012 1.00 0.00 C ATOM 368 C GLN B 4 4.104 8.400 -2.077 1.00 0.00 C ATOM 369 O GLN B 4 3.727 7.390 -1.516 1.00 0.00 O ATOM 370 CB GLN B 4 6.175 8.795 -3.413 1.00 0.00 C ATOM 371 CG GLN B 4 7.072 10.014 -3.632 1.00 0.00 C ATOM 372 CD GLN B 4 7.797 9.879 -4.971 1.00 0.00 C ATOM 373 OE1 GLN B 4 7.619 8.906 -5.676 1.00 0.00 O ATOM 374 NE2 GLN B 4 8.616 10.821 -5.356 1.00 0.00 N ATOM 0 H GLN B 4 6.318 6.949 -1.397 1.00 0.00 H new ATOM 0 HA GLN B 4 5.616 9.862 -1.621 1.00 0.00 H new ATOM 0 HB2 GLN B 4 6.753 7.879 -3.536 1.00 0.00 H new ATOM 0 HB3 GLN B 4 5.383 8.775 -4.162 1.00 0.00 H new ATOM 0 HG2 GLN B 4 6.474 10.925 -3.620 1.00 0.00 H new ATOM 0 HG3 GLN B 4 7.796 10.097 -2.821 1.00 0.00 H new ATOM 0 HE21 GLN B 4 8.767 11.639 -4.765 1.00 0.00 H new ATOM 0 HE22 GLN B 4 9.105 10.739 -6.247 1.00 0.00 H new ATOM 383 N HIS B 5 3.280 9.144 -2.763 1.00 0.00 N ATOM 384 CA HIS B 5 1.842 8.765 -2.874 1.00 0.00 C ATOM 385 C HIS B 5 1.670 7.797 -4.047 1.00 0.00 C ATOM 386 O HIS B 5 1.980 8.116 -5.178 1.00 0.00 O ATOM 387 CB HIS B 5 1.001 10.020 -3.112 1.00 0.00 C ATOM 388 CG HIS B 5 1.484 11.123 -2.212 1.00 0.00 C ATOM 389 ND1 HIS B 5 2.625 11.879 -2.246 1.00 0.00 N flip ATOM 390 CD2 HIS B 5 0.746 11.539 -1.124 1.00 0.00 C flip ATOM 391 CE1 HIS B 5 2.603 12.762 -1.187 1.00 0.00 C flip ATOM 392 NE2 HIS B 5 1.446 12.520 -0.537 1.00 0.00 N flip ATOM 0 H HIS B 5 3.541 10.000 -3.253 1.00 0.00 H new ATOM 0 HA HIS B 5 1.514 8.284 -1.953 1.00 0.00 H new ATOM 0 HB2 HIS B 5 1.075 10.328 -4.155 1.00 0.00 H new ATOM 0 HB3 HIS B 5 -0.050 9.809 -2.915 1.00 0.00 H new ATOM 0 HD2 HIS B 5 -0.210 11.150 -0.806 1.00 0.00 H new ATOM 0 HE1 HIS B 5 3.355 13.494 -0.931 1.00 0.00 H new ATOM 0 HE2 HIS B 5 1.142 13.021 0.298 1.00 0.00 H new ATOM 400 N LEU B 6 1.199 6.608 -3.784 1.00 0.00 N ATOM 401 CA LEU B 6 1.033 5.610 -4.878 1.00 0.00 C ATOM 402 C LEU B 6 -0.450 5.273 -5.072 1.00 0.00 C ATOM 403 O LEU B 6 -0.777 4.247 -5.600 1.00 0.00 O ATOM 404 CB LEU B 6 1.788 4.333 -4.503 1.00 0.00 C ATOM 405 CG LEU B 6 1.994 4.264 -2.986 1.00 0.00 C ATOM 406 CD1 LEU B 6 0.645 4.066 -2.290 1.00 0.00 C ATOM 407 CD2 LEU B 6 2.912 3.090 -2.654 1.00 0.00 C ATOM 0 H LEU B 6 0.922 6.285 -2.857 1.00 0.00 H new ATOM 0 HA LEU B 6 1.427 6.028 -5.804 1.00 0.00 H new ATOM 0 HB2 LEU B 6 1.230 3.460 -4.841 1.00 0.00 H new ATOM 0 HB3 LEU B 6 2.753 4.311 -5.009 1.00 0.00 H new ATOM 0 HG LEU B 6 2.446 5.194 -2.640 1.00 0.00 H new ATOM 0 HD11 LEU B 6 0.796 4.017 -1.212 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -0.013 4.902 -2.527 1.00 0.00 H new ATOM 0 HD13 LEU B 6 0.190 3.137 -2.635 1.00 0.00 H new ATOM 0 HD21 LEU B 6 3.061 3.038 -1.575 1.00 0.00 H new ATOM 0 HD22 LEU B 6 2.457 2.163 -3.003 1.00 0.00 H new ATOM 0 HD23 LEU B 6 3.874 3.230 -3.147 1.00 0.00 H new ATOM 419 N CYS B 7 -1.323 6.136 -4.635 1.00 0.00 N ATOM 420 CA CYS B 7 -2.812 5.926 -4.751 1.00 0.00 C ATOM 421 C CYS B 7 -3.226 4.692 -5.588 1.00 0.00 C ATOM 422 O CYS B 7 -2.696 4.409 -6.644 1.00 0.00 O ATOM 423 CB CYS B 7 -3.433 7.172 -5.380 1.00 0.00 C ATOM 424 SG CYS B 7 -3.079 8.612 -4.343 1.00 0.00 S ATOM 0 H CYS B 7 -1.065 7.014 -4.184 1.00 0.00 H new ATOM 0 HA CYS B 7 -3.174 5.744 -3.739 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -3.032 7.325 -6.382 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -4.510 7.041 -5.484 1.00 0.00 H new ATOM 429 N GLY B 8 -4.227 3.996 -5.107 1.00 0.00 N ATOM 430 CA GLY B 8 -4.792 2.797 -5.811 1.00 0.00 C ATOM 431 C GLY B 8 -3.772 2.095 -6.714 1.00 0.00 C ATOM 432 O GLY B 8 -2.773 1.580 -6.264 1.00 0.00 O ATOM 0 H GLY B 8 -4.692 4.216 -4.226 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -5.161 2.088 -5.070 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -5.648 3.105 -6.411 1.00 0.00 H new ATOM 436 N SER B 9 -4.070 2.036 -7.988 1.00 0.00 N ATOM 437 CA SER B 9 -3.190 1.337 -8.978 1.00 0.00 C ATOM 438 C SER B 9 -1.720 1.333 -8.545 1.00 0.00 C ATOM 439 O SER B 9 -1.030 0.346 -8.702 1.00 0.00 O ATOM 440 CB SER B 9 -3.308 2.036 -10.332 1.00 0.00 C ATOM 441 OG SER B 9 -2.691 3.315 -10.256 1.00 0.00 O ATOM 0 H SER B 9 -4.907 2.453 -8.394 1.00 0.00 H new ATOM 0 HA SER B 9 -3.521 0.301 -9.043 1.00 0.00 H new ATOM 0 HB2 SER B 9 -2.832 1.435 -11.107 1.00 0.00 H new ATOM 0 HB3 SER B 9 -4.357 2.141 -10.610 1.00 0.00 H new ATOM 0 HG SER B 9 -2.763 3.765 -11.123 1.00 0.00 H new ATOM 447 N ASP B 10 -1.221 2.419 -8.027 1.00 0.00 N ATOM 448 CA ASP B 10 0.212 2.440 -7.625 1.00 0.00 C ATOM 449 C ASP B 10 0.382 1.835 -6.229 1.00 0.00 C ATOM 450 O ASP B 10 1.395 1.235 -5.927 1.00 0.00 O ATOM 451 CB ASP B 10 0.717 3.883 -7.631 1.00 0.00 C ATOM 452 CG ASP B 10 1.495 4.146 -8.922 1.00 0.00 C ATOM 453 OD1 ASP B 10 2.325 3.322 -9.269 1.00 0.00 O ATOM 454 OD2 ASP B 10 1.244 5.165 -9.543 1.00 0.00 O ATOM 0 H ASP B 10 -1.736 3.284 -7.866 1.00 0.00 H new ATOM 0 HA ASP B 10 0.791 1.847 -8.333 1.00 0.00 H new ATOM 0 HB2 ASP B 10 -0.123 4.574 -7.553 1.00 0.00 H new ATOM 0 HB3 ASP B 10 1.357 4.059 -6.766 1.00 0.00 H new ATOM 459 N LEU B 11 -0.586 1.990 -5.368 1.00 0.00 N ATOM 460 CA LEU B 11 -0.451 1.425 -3.997 1.00 0.00 C ATOM 461 C LEU B 11 -0.718 -0.078 -4.047 1.00 0.00 C ATOM 462 O LEU B 11 -0.087 -0.852 -3.355 1.00 0.00 O ATOM 463 CB LEU B 11 -1.435 2.121 -3.046 1.00 0.00 C ATOM 464 CG LEU B 11 -2.833 1.515 -3.184 1.00 0.00 C ATOM 465 CD1 LEU B 11 -2.946 0.288 -2.283 1.00 0.00 C ATOM 466 CD2 LEU B 11 -3.876 2.551 -2.756 1.00 0.00 C ATOM 0 H LEU B 11 -1.460 2.481 -5.554 1.00 0.00 H new ATOM 0 HA LEU B 11 0.559 1.594 -3.625 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -1.089 2.020 -2.017 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -1.471 3.188 -3.267 1.00 0.00 H new ATOM 0 HG LEU B 11 -3.004 1.225 -4.221 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -3.942 -0.145 -2.381 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -2.199 -0.450 -2.577 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -2.778 0.581 -1.247 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -4.874 2.124 -2.853 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -3.702 2.835 -1.718 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -3.796 3.433 -3.392 1.00 0.00 H new ATOM 478 N VAL B 12 -1.632 -0.503 -4.875 1.00 0.00 N ATOM 479 CA VAL B 12 -1.906 -1.959 -4.974 1.00 0.00 C ATOM 480 C VAL B 12 -0.748 -2.610 -5.732 1.00 0.00 C ATOM 481 O VAL B 12 -0.464 -3.781 -5.576 1.00 0.00 O ATOM 482 CB VAL B 12 -3.229 -2.194 -5.710 1.00 0.00 C ATOM 483 CG1 VAL B 12 -4.251 -1.148 -5.265 1.00 0.00 C ATOM 484 CG2 VAL B 12 -3.016 -2.079 -7.221 1.00 0.00 C ATOM 0 H VAL B 12 -2.196 0.092 -5.482 1.00 0.00 H new ATOM 0 HA VAL B 12 -1.991 -2.398 -3.980 1.00 0.00 H new ATOM 0 HB VAL B 12 -3.595 -3.193 -5.474 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -5.193 -1.314 -5.788 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -4.413 -1.232 -4.190 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -3.877 -0.151 -5.499 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -3.962 -2.248 -7.736 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -2.645 -1.083 -7.461 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -2.289 -2.825 -7.544 1.00 0.00 H new ATOM 494 N GLU B 13 -0.062 -1.844 -6.537 1.00 0.00 N ATOM 495 CA GLU B 13 1.094 -2.396 -7.287 1.00 0.00 C ATOM 496 C GLU B 13 2.226 -2.643 -6.293 1.00 0.00 C ATOM 497 O GLU B 13 2.784 -3.721 -6.221 1.00 0.00 O ATOM 498 CB GLU B 13 1.539 -1.389 -8.346 1.00 0.00 C ATOM 499 CG GLU B 13 0.934 -1.771 -9.697 1.00 0.00 C ATOM 500 CD GLU B 13 1.951 -2.582 -10.502 1.00 0.00 C ATOM 501 OE1 GLU B 13 2.442 -3.568 -9.976 1.00 0.00 O ATOM 502 OE2 GLU B 13 2.221 -2.205 -11.630 1.00 0.00 O ATOM 0 H GLU B 13 -0.256 -0.857 -6.706 1.00 0.00 H new ATOM 0 HA GLU B 13 0.822 -3.327 -7.783 1.00 0.00 H new ATOM 0 HB2 GLU B 13 1.222 -0.385 -8.064 1.00 0.00 H new ATOM 0 HB3 GLU B 13 2.627 -1.373 -8.414 1.00 0.00 H new ATOM 0 HG2 GLU B 13 0.025 -2.353 -9.548 1.00 0.00 H new ATOM 0 HG3 GLU B 13 0.651 -0.874 -10.247 1.00 0.00 H new ATOM 509 N ALA B 14 2.546 -1.655 -5.499 1.00 0.00 N ATOM 510 CA ALA B 14 3.613 -1.844 -4.483 1.00 0.00 C ATOM 511 C ALA B 14 3.202 -3.021 -3.602 1.00 0.00 C ATOM 512 O ALA B 14 4.017 -3.814 -3.172 1.00 0.00 O ATOM 513 CB ALA B 14 3.743 -0.579 -3.632 1.00 0.00 C ATOM 0 H ALA B 14 2.115 -0.731 -5.513 1.00 0.00 H new ATOM 0 HA ALA B 14 4.573 -2.039 -4.961 1.00 0.00 H new ATOM 0 HB1 ALA B 14 4.526 -0.720 -2.887 1.00 0.00 H new ATOM 0 HB2 ALA B 14 3.999 0.265 -4.272 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.797 -0.380 -3.129 1.00 0.00 H new ATOM 519 N LEU B 15 1.925 -3.147 -3.357 1.00 0.00 N ATOM 520 CA LEU B 15 1.417 -4.272 -2.536 1.00 0.00 C ATOM 521 C LEU B 15 1.888 -5.585 -3.166 1.00 0.00 C ATOM 522 O LEU B 15 2.104 -6.570 -2.489 1.00 0.00 O ATOM 523 CB LEU B 15 -0.117 -4.219 -2.550 1.00 0.00 C ATOM 524 CG LEU B 15 -0.675 -3.379 -1.388 1.00 0.00 C ATOM 525 CD1 LEU B 15 -1.158 -4.311 -0.281 1.00 0.00 C ATOM 526 CD2 LEU B 15 0.389 -2.429 -0.823 1.00 0.00 C ATOM 0 H LEU B 15 1.207 -2.507 -3.698 1.00 0.00 H new ATOM 0 HA LEU B 15 1.784 -4.204 -1.512 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.457 -3.799 -3.497 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -0.515 -5.232 -2.489 1.00 0.00 H new ATOM 0 HG LEU B 15 -1.502 -2.778 -1.767 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -1.554 -3.720 0.545 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -1.941 -4.962 -0.670 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -0.324 -4.917 0.074 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -0.038 -1.850 -0.004 1.00 0.00 H new ATOM 0 HD22 LEU B 15 1.236 -3.009 -0.455 1.00 0.00 H new ATOM 0 HD23 LEU B 15 0.726 -1.752 -1.608 1.00 0.00 H new ATOM 538 N TYR B 16 2.056 -5.600 -4.463 1.00 0.00 N ATOM 539 CA TYR B 16 2.517 -6.839 -5.145 1.00 0.00 C ATOM 540 C TYR B 16 4.007 -7.031 -4.874 1.00 0.00 C ATOM 541 O TYR B 16 4.404 -7.878 -4.099 1.00 0.00 O ATOM 542 CB TYR B 16 2.281 -6.708 -6.654 1.00 0.00 C ATOM 543 CG TYR B 16 3.071 -7.766 -7.389 1.00 0.00 C ATOM 544 CD1 TYR B 16 3.029 -9.097 -6.956 1.00 0.00 C ATOM 545 CD2 TYR B 16 3.845 -7.415 -8.504 1.00 0.00 C ATOM 546 CE1 TYR B 16 3.760 -10.079 -7.638 1.00 0.00 C ATOM 547 CE2 TYR B 16 4.576 -8.397 -9.185 1.00 0.00 C ATOM 548 CZ TYR B 16 4.534 -9.728 -8.753 1.00 0.00 C ATOM 549 OH TYR B 16 5.253 -10.696 -9.425 1.00 0.00 O ATOM 0 H TYR B 16 1.892 -4.803 -5.078 1.00 0.00 H new ATOM 0 HA TYR B 16 1.962 -7.698 -4.768 1.00 0.00 H new ATOM 0 HB2 TYR B 16 1.219 -6.814 -6.876 1.00 0.00 H new ATOM 0 HB3 TYR B 16 2.580 -5.716 -6.993 1.00 0.00 H new ATOM 0 HD1 TYR B 16 2.433 -9.367 -6.096 1.00 0.00 H new ATOM 0 HD2 TYR B 16 3.878 -6.388 -8.838 1.00 0.00 H new ATOM 0 HE1 TYR B 16 3.727 -11.106 -7.305 1.00 0.00 H new ATOM 0 HE2 TYR B 16 5.172 -8.127 -10.044 1.00 0.00 H new ATOM 0 HH TYR B 16 5.734 -10.286 -10.174 1.00 0.00 H new ATOM 559 N LEU B 17 4.837 -6.247 -5.505 1.00 0.00 N ATOM 560 CA LEU B 17 6.294 -6.383 -5.281 1.00 0.00 C ATOM 561 C LEU B 17 6.564 -6.513 -3.776 1.00 0.00 C ATOM 562 O LEU B 17 7.549 -7.089 -3.359 1.00 0.00 O ATOM 563 CB LEU B 17 7.009 -5.160 -5.874 1.00 0.00 C ATOM 564 CG LEU B 17 7.151 -4.061 -4.821 1.00 0.00 C ATOM 565 CD1 LEU B 17 8.546 -4.129 -4.197 1.00 0.00 C ATOM 566 CD2 LEU B 17 6.950 -2.693 -5.477 1.00 0.00 C ATOM 0 H LEU B 17 4.564 -5.519 -6.165 1.00 0.00 H new ATOM 0 HA LEU B 17 6.675 -7.277 -5.774 1.00 0.00 H new ATOM 0 HB2 LEU B 17 7.994 -5.450 -6.241 1.00 0.00 H new ATOM 0 HB3 LEU B 17 6.448 -4.782 -6.729 1.00 0.00 H new ATOM 0 HG LEU B 17 6.399 -4.204 -4.045 1.00 0.00 H new ATOM 0 HD11 LEU B 17 8.647 -3.345 -3.446 1.00 0.00 H new ATOM 0 HD12 LEU B 17 8.687 -5.102 -3.727 1.00 0.00 H new ATOM 0 HD13 LEU B 17 9.299 -3.988 -4.973 1.00 0.00 H new ATOM 0 HD21 LEU B 17 7.051 -1.910 -4.725 1.00 0.00 H new ATOM 0 HD22 LEU B 17 7.700 -2.549 -6.255 1.00 0.00 H new ATOM 0 HD23 LEU B 17 5.955 -2.644 -5.919 1.00 0.00 H new ATOM 578 N VAL B 18 5.686 -5.990 -2.963 1.00 0.00 N ATOM 579 CA VAL B 18 5.875 -6.092 -1.490 1.00 0.00 C ATOM 580 C VAL B 18 5.277 -7.426 -1.016 1.00 0.00 C ATOM 581 O VAL B 18 5.861 -8.475 -1.210 1.00 0.00 O ATOM 582 CB VAL B 18 5.163 -4.918 -0.812 1.00 0.00 C ATOM 583 CG1 VAL B 18 5.338 -5.018 0.698 1.00 0.00 C ATOM 584 CG2 VAL B 18 5.760 -3.595 -1.296 1.00 0.00 C ATOM 0 H VAL B 18 4.844 -5.495 -3.258 1.00 0.00 H new ATOM 0 HA VAL B 18 6.934 -6.057 -1.233 1.00 0.00 H new ATOM 0 HB VAL B 18 4.103 -4.953 -1.066 1.00 0.00 H new ATOM 0 HG11 VAL B 18 4.831 -4.182 1.179 1.00 0.00 H new ATOM 0 HG12 VAL B 18 4.909 -5.955 1.053 1.00 0.00 H new ATOM 0 HG13 VAL B 18 6.399 -4.989 0.944 1.00 0.00 H new ATOM 0 HG21 VAL B 18 5.248 -2.765 -0.809 1.00 0.00 H new ATOM 0 HG22 VAL B 18 6.821 -3.562 -1.048 1.00 0.00 H new ATOM 0 HG23 VAL B 18 5.637 -3.514 -2.376 1.00 0.00 H new ATOM 594 N CYS B 19 4.108 -7.409 -0.427 1.00 0.00 N ATOM 595 CA CYS B 19 3.475 -8.688 0.015 1.00 0.00 C ATOM 596 C CYS B 19 1.988 -8.641 -0.320 1.00 0.00 C ATOM 597 O CYS B 19 1.145 -8.485 0.540 1.00 0.00 O ATOM 598 CB CYS B 19 3.658 -8.917 1.519 1.00 0.00 C ATOM 599 SG CYS B 19 3.978 -7.356 2.378 1.00 0.00 S ATOM 0 H CYS B 19 3.566 -6.567 -0.234 1.00 0.00 H new ATOM 0 HA CYS B 19 3.959 -9.514 -0.507 1.00 0.00 H new ATOM 0 HB2 CYS B 19 2.764 -9.386 1.931 1.00 0.00 H new ATOM 0 HB3 CYS B 19 4.486 -9.606 1.688 1.00 0.00 H new ATOM 604 N GLY B 20 1.667 -8.766 -1.572 1.00 0.00 N ATOM 605 CA GLY B 20 0.238 -8.720 -1.992 1.00 0.00 C ATOM 606 C GLY B 20 -0.548 -9.818 -1.276 1.00 0.00 C ATOM 607 O GLY B 20 -1.623 -9.588 -0.759 1.00 0.00 O ATOM 0 H GLY B 20 2.335 -8.899 -2.331 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -0.188 -7.744 -1.759 1.00 0.00 H new ATOM 0 HA3 GLY B 20 0.162 -8.851 -3.071 1.00 0.00 H new ATOM 611 N GLU B 21 -0.025 -11.010 -1.248 1.00 0.00 N ATOM 612 CA GLU B 21 -0.744 -12.122 -0.575 1.00 0.00 C ATOM 613 C GLU B 21 -0.133 -13.464 -0.984 1.00 0.00 C ATOM 614 O GLU B 21 -0.301 -14.461 -0.311 1.00 0.00 O ATOM 615 CB GLU B 21 -2.214 -12.093 -0.987 1.00 0.00 C ATOM 616 CG GLU B 21 -2.331 -11.734 -2.471 1.00 0.00 C ATOM 617 CD GLU B 21 -3.162 -10.459 -2.625 1.00 0.00 C ATOM 618 OE1 GLU B 21 -3.941 -10.172 -1.732 1.00 0.00 O ATOM 619 OE2 GLU B 21 -3.004 -9.791 -3.634 1.00 0.00 O ATOM 0 H GLU B 21 0.872 -11.262 -1.664 1.00 0.00 H new ATOM 0 HA GLU B 21 -0.657 -12.003 0.505 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -2.672 -13.064 -0.801 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -2.756 -11.365 -0.384 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -1.340 -11.588 -2.900 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -2.798 -12.553 -3.018 1.00 0.00 H new ATOM 626 N ARG B 22 0.564 -13.498 -2.088 1.00 0.00 N ATOM 627 CA ARG B 22 1.179 -14.775 -2.549 1.00 0.00 C ATOM 628 C ARG B 22 0.106 -15.635 -3.220 1.00 0.00 C ATOM 629 O ARG B 22 0.318 -16.794 -3.514 1.00 0.00 O ATOM 630 CB ARG B 22 1.768 -15.526 -1.353 1.00 0.00 C ATOM 631 CG ARG B 22 2.984 -16.338 -1.806 1.00 0.00 C ATOM 632 CD ARG B 22 2.519 -17.671 -2.392 1.00 0.00 C ATOM 633 NE ARG B 22 3.511 -18.733 -2.061 1.00 0.00 N ATOM 634 CZ ARG B 22 3.241 -19.615 -1.138 1.00 0.00 C ATOM 635 NH1 ARG B 22 2.362 -19.342 -0.211 1.00 0.00 N ATOM 636 NH2 ARG B 22 3.850 -20.769 -1.139 1.00 0.00 N ATOM 0 H ARG B 22 0.734 -12.694 -2.692 1.00 0.00 H new ATOM 0 HA ARG B 22 1.975 -14.561 -3.262 1.00 0.00 H new ATOM 0 HB2 ARG B 22 2.058 -14.820 -0.575 1.00 0.00 H new ATOM 0 HB3 ARG B 22 1.017 -16.187 -0.920 1.00 0.00 H new ATOM 0 HG2 ARG B 22 3.550 -15.779 -2.551 1.00 0.00 H new ATOM 0 HG3 ARG B 22 3.652 -16.513 -0.963 1.00 0.00 H new ATOM 0 HD2 ARG B 22 1.540 -17.935 -1.991 1.00 0.00 H new ATOM 0 HD3 ARG B 22 2.408 -17.586 -3.473 1.00 0.00 H new ATOM 0 HE ARG B 22 4.402 -18.770 -2.556 1.00 0.00 H new ATOM 0 HH11 ARG B 22 1.887 -18.439 -0.209 1.00 0.00 H new ATOM 0 HH12 ARG B 22 2.151 -20.031 0.511 1.00 0.00 H new ATOM 0 HH21 ARG B 22 4.538 -20.982 -1.862 1.00 0.00 H new ATOM 0 HH22 ARG B 22 3.638 -21.458 -0.417 1.00 0.00 H new ATOM 650 N GLY B 23 -1.045 -15.071 -3.467 1.00 0.00 N ATOM 651 CA GLY B 23 -2.134 -15.848 -4.123 1.00 0.00 C ATOM 652 C GLY B 23 -2.911 -14.931 -5.068 1.00 0.00 C ATOM 653 O GLY B 23 -4.115 -15.034 -5.199 1.00 0.00 O ATOM 0 H GLY B 23 -1.278 -14.104 -3.242 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -1.714 -16.688 -4.676 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -2.803 -16.265 -3.370 1.00 0.00 H new HETATM 657 N DAL B 24 -2.231 -14.032 -5.727 1.00 0.00 N HETATM 658 CA DAL B 24 -2.924 -13.104 -6.663 1.00 0.00 C HETATM 659 CB DAL B 24 -3.952 -13.882 -7.487 1.00 0.00 C HETATM 660 C DAL B 24 -1.896 -12.467 -7.600 1.00 0.00 C HETATM 661 O DAL B 24 -0.787 -12.944 -7.732 1.00 0.00 O HETATM 0 HB3 DAL B 24 -3.447 -14.661 -8.057 1.00 0.00 H new HETATM 0 HB2 DAL B 24 -4.684 -14.337 -6.820 1.00 0.00 H new HETATM 0 HB1 DAL B 24 -4.459 -13.202 -8.172 1.00 0.00 H new HETATM 0 HA DAL B 24 -3.431 -12.325 -6.094 1.00 0.00 H new HETATM 0 H2 DAL B 24 -1.510 -13.678 -5.099 1.00 0.00 H new ATOM 667 N PHE B 25 -2.256 -11.394 -8.250 1.00 0.00 N ATOM 668 CA PHE B 25 -1.300 -10.726 -9.179 1.00 0.00 C ATOM 669 C PHE B 25 -0.571 -11.785 -10.007 1.00 0.00 C ATOM 670 O PHE B 25 0.608 -11.672 -10.280 1.00 0.00 O ATOM 671 CB PHE B 25 -0.278 -9.920 -8.371 1.00 0.00 C ATOM 672 CG PHE B 25 -1.027 -8.931 -7.446 1.00 0.00 C ATOM 673 CD1 PHE B 25 -2.186 -8.246 -7.900 1.00 0.00 C ATOM 674 CD2 PHE B 25 -0.577 -8.689 -6.128 1.00 0.00 C ATOM 675 CE1 PHE B 25 -2.856 -7.352 -7.056 1.00 0.00 C ATOM 676 CE2 PHE B 25 -1.260 -7.793 -5.296 1.00 0.00 C ATOM 677 CZ PHE B 25 -2.394 -7.126 -5.759 1.00 0.00 C ATOM 0 H PHE B 25 -3.172 -10.951 -8.178 1.00 0.00 H new ATOM 0 HA PHE B 25 -1.848 -10.057 -9.842 1.00 0.00 H new ATOM 0 HB2 PHE B 25 0.345 -10.590 -7.779 1.00 0.00 H new ATOM 0 HB3 PHE B 25 0.387 -9.376 -9.042 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -2.552 -8.416 -8.902 1.00 0.00 H new ATOM 0 HD2 PHE B 25 0.301 -9.199 -5.760 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -3.735 -6.835 -7.411 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -0.907 -7.618 -4.291 1.00 0.00 H new ATOM 0 HZ PHE B 25 -2.915 -6.434 -5.113 1.00 0.00 H new ATOM 687 N TYR B 26 -1.264 -12.820 -10.401 1.00 0.00 N ATOM 688 CA TYR B 26 -0.618 -13.895 -11.205 1.00 0.00 C ATOM 689 C TYR B 26 0.310 -13.276 -12.253 1.00 0.00 C ATOM 690 O TYR B 26 0.030 -12.230 -12.806 1.00 0.00 O ATOM 691 CB TYR B 26 -1.697 -14.721 -11.908 1.00 0.00 C ATOM 692 CG TYR B 26 -1.202 -16.134 -12.100 1.00 0.00 C ATOM 693 CD1 TYR B 26 -0.589 -16.810 -11.037 1.00 0.00 C ATOM 694 CD2 TYR B 26 -1.356 -16.769 -13.339 1.00 0.00 C ATOM 695 CE1 TYR B 26 -0.127 -18.121 -11.214 1.00 0.00 C ATOM 696 CE2 TYR B 26 -0.895 -18.080 -13.517 1.00 0.00 C ATOM 697 CZ TYR B 26 -0.281 -18.757 -12.454 1.00 0.00 C ATOM 698 OH TYR B 26 0.173 -20.048 -12.628 1.00 0.00 O ATOM 0 H TYR B 26 -2.253 -12.967 -10.199 1.00 0.00 H new ATOM 0 HA TYR B 26 -0.035 -14.536 -10.544 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -2.613 -14.722 -11.317 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -1.941 -14.275 -12.872 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -0.473 -16.321 -10.081 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -1.830 -16.248 -14.157 1.00 0.00 H new ATOM 0 HE1 TYR B 26 0.348 -18.641 -10.395 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -1.013 -18.569 -14.473 1.00 0.00 H new ATOM 0 HH TYR B 26 -0.013 -20.339 -13.545 1.00 0.00 H new ATOM 708 N THR B 27 1.413 -13.914 -12.529 1.00 0.00 N ATOM 709 CA THR B 27 2.360 -13.367 -13.542 1.00 0.00 C ATOM 710 C THR B 27 3.041 -14.524 -14.277 1.00 0.00 C ATOM 711 O THR B 27 2.724 -14.824 -15.411 1.00 0.00 O ATOM 712 CB THR B 27 3.419 -12.513 -12.841 1.00 0.00 C ATOM 713 OG1 THR B 27 3.505 -12.895 -11.475 1.00 0.00 O ATOM 714 CG2 THR B 27 3.033 -11.036 -12.937 1.00 0.00 C ATOM 0 H THR B 27 1.701 -14.792 -12.097 1.00 0.00 H new ATOM 0 HA THR B 27 1.814 -12.752 -14.258 1.00 0.00 H new ATOM 0 HB THR B 27 4.385 -12.665 -13.322 1.00 0.00 H new ATOM 0 HG1 THR B 27 4.184 -12.350 -11.025 1.00 0.00 H new ATOM 0 HG21 THR B 27 3.788 -10.429 -12.437 1.00 0.00 H new ATOM 0 HG22 THR B 27 2.968 -10.744 -13.985 1.00 0.00 H new ATOM 0 HG23 THR B 27 2.067 -10.880 -12.457 1.00 0.00 H new ATOM 722 N LYS B 28 3.975 -15.175 -13.640 1.00 0.00 N ATOM 723 CA LYS B 28 4.676 -16.313 -14.302 1.00 0.00 C ATOM 724 C LYS B 28 5.512 -15.786 -15.474 1.00 0.00 C ATOM 725 O LYS B 28 4.991 -15.555 -16.546 1.00 0.00 O ATOM 726 CB LYS B 28 3.641 -17.311 -14.825 1.00 0.00 C ATOM 727 CG LYS B 28 3.860 -18.669 -14.155 1.00 0.00 C ATOM 728 CD LYS B 28 2.548 -19.459 -14.158 1.00 0.00 C ATOM 729 CE LYS B 28 2.794 -20.859 -13.595 1.00 0.00 C ATOM 730 NZ LYS B 28 2.469 -20.875 -12.141 1.00 0.00 N ATOM 0 H LYS B 28 4.284 -14.969 -12.690 1.00 0.00 H new ATOM 0 HA LYS B 28 5.329 -16.807 -13.582 1.00 0.00 H new ATOM 0 HB2 LYS B 28 2.634 -16.949 -14.618 1.00 0.00 H new ATOM 0 HB3 LYS B 28 3.728 -17.409 -15.907 1.00 0.00 H new ATOM 0 HG2 LYS B 28 4.633 -19.226 -14.683 1.00 0.00 H new ATOM 0 HG3 LYS B 28 4.210 -18.529 -13.132 1.00 0.00 H new ATOM 0 HD2 LYS B 28 1.798 -18.941 -13.560 1.00 0.00 H new ATOM 0 HD3 LYS B 28 2.155 -19.527 -15.172 1.00 0.00 H new ATOM 0 HE2 LYS B 28 2.180 -21.588 -14.124 1.00 0.00 H new ATOM 0 HE3 LYS B 28 3.834 -21.147 -13.749 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 2.538 -21.848 -11.780 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 3.140 -20.267 -11.629 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 1.502 -20.521 -11.998 1.00 0.00 H new ATOM 744 N PRO B 29 6.788 -15.612 -15.234 1.00 0.00 N ATOM 745 CA PRO B 29 7.724 -15.114 -16.256 1.00 0.00 C ATOM 746 C PRO B 29 8.087 -16.233 -17.236 1.00 0.00 C ATOM 747 O PRO B 29 8.620 -17.256 -16.855 1.00 0.00 O ATOM 748 CB PRO B 29 8.947 -14.679 -15.443 1.00 0.00 C ATOM 749 CG PRO B 29 8.881 -15.457 -14.108 1.00 0.00 C ATOM 750 CD PRO B 29 7.414 -15.897 -13.926 1.00 0.00 C ATOM 0 HA PRO B 29 7.312 -14.305 -16.859 1.00 0.00 H new ATOM 0 HB2 PRO B 29 9.870 -14.903 -15.978 1.00 0.00 H new ATOM 0 HB3 PRO B 29 8.934 -13.603 -15.267 1.00 0.00 H new ATOM 0 HG2 PRO B 29 9.545 -16.321 -14.130 1.00 0.00 H new ATOM 0 HG3 PRO B 29 9.203 -14.829 -13.277 1.00 0.00 H new ATOM 0 HD2 PRO B 29 7.344 -16.955 -13.672 1.00 0.00 H new ATOM 0 HD3 PRO B 29 6.928 -15.343 -13.122 1.00 0.00 H new ATOM 758 N THR B 30 7.801 -16.047 -18.496 1.00 0.00 N ATOM 759 CA THR B 30 8.128 -17.100 -19.498 1.00 0.00 C ATOM 760 C THR B 30 7.450 -18.412 -19.097 1.00 0.00 C ATOM 761 O THR B 30 6.418 -18.349 -18.449 1.00 0.00 O ATOM 762 CB THR B 30 9.643 -17.305 -19.552 1.00 0.00 C ATOM 763 OG1 THR B 30 10.043 -18.148 -18.480 1.00 0.00 O ATOM 764 CG2 THR B 30 10.349 -15.954 -19.431 1.00 0.00 C ATOM 765 OXT THR B 30 7.974 -19.457 -19.444 1.00 0.00 O ATOM 0 H THR B 30 7.355 -15.211 -18.874 1.00 0.00 H new ATOM 0 HA THR B 30 7.770 -16.789 -20.480 1.00 0.00 H new ATOM 0 HB THR B 30 9.913 -17.769 -20.501 1.00 0.00 H new ATOM 0 HG1 THR B 30 9.809 -17.726 -17.627 1.00 0.00 H new ATOM 0 HG21 THR B 30 11.428 -16.103 -19.470 1.00 0.00 H new ATOM 0 HG22 THR B 30 10.042 -15.308 -20.254 1.00 0.00 H new ATOM 0 HG23 THR B 30 10.081 -15.487 -18.483 1.00 0.00 H new TER 773 THR B 30