USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 381 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: B 3 ASN : amide:sc= 0.0187 X(o=-0.42,f=-0.45) USER MOD Set 1.2: B 10 HIS : no HD1:sc= -0.436 K(o=-0.42,f=-1) USER MOD Set 2.1: A 8 THR OG1 : rot -120:sc= 0.259 USER MOD Set 2.2: A 9 SER OG : rot 180:sc= 0.28 USER MOD Set 2.3: A 15 GLN : amide:sc= 0 X(o=0.54,f=0.55) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0.0141 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0.501 K(o=0.5,f=-0.9) USER MOD Single : A 19 TYR OH : rot 150:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.686 K(o=-0.69,f=0) USER MOD Single : B 1 PHE N :NH3+ 146:sc= 0.0984 (180deg=0) USER MOD Single : B 4 GLN : amide:sc= -0.471 X(o=-0.47,f=-0.35) USER MOD Single : B 5 HIS : no HD1:sc= -0.85 K(o=-0.85,f=-0.045) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 16 TYR OH : rot 5:sc= 0.71 USER MOD Single : B 26 TYR OH : rot 0:sc= 0.19 USER MOD Single : B 27 THR OG1 : rot 170:sc= -0.314 USER MOD Single : B 29 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 -10.398 -3.388 5.541 1.00 0.00 N ATOM 2 CA GLY A 1 -8.954 -3.545 5.223 1.00 0.00 C ATOM 3 C GLY A 1 -8.405 -2.249 4.627 1.00 0.00 C ATOM 4 O GLY A 1 -7.747 -1.496 5.317 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.763 -4.274 5.946 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.520 -2.617 6.228 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.922 -3.163 4.672 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.400 -3.803 6.126 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.815 -4.366 4.519 1.00 0.00 H new ATOM 10 N ILE A 2 -8.684 -2.009 3.365 1.00 0.00 N ATOM 11 CA ILE A 2 -8.181 -0.756 2.710 1.00 0.00 C ATOM 12 C ILE A 2 -9.294 0.033 2.026 1.00 0.00 C ATOM 13 O ILE A 2 -10.423 -0.410 1.940 1.00 0.00 O ATOM 14 CB ILE A 2 -7.061 -1.133 1.672 1.00 0.00 C ATOM 15 CG1 ILE A 2 -7.504 -2.179 0.586 1.00 0.00 C ATOM 16 CG2 ILE A 2 -5.848 -1.692 2.439 1.00 0.00 C ATOM 17 CD1 ILE A 2 -8.392 -1.582 -0.522 1.00 0.00 C ATOM 0 H ILE A 2 -9.235 -2.622 2.764 1.00 0.00 H new ATOM 0 HA ILE A 2 -7.773 -0.110 3.488 1.00 0.00 H new ATOM 0 HB ILE A 2 -6.822 -0.218 1.130 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -6.615 -2.616 0.131 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -8.044 -2.990 1.074 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -5.062 -1.958 1.732 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -5.474 -0.936 3.130 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -6.148 -2.578 2.999 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -8.658 -2.362 -1.235 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -9.299 -1.170 -0.079 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -7.848 -0.790 -1.037 1.00 0.00 H new ATOM 29 N VAL A 3 -8.903 1.191 1.567 1.00 0.00 N ATOM 30 CA VAL A 3 -9.830 2.124 0.862 1.00 0.00 C ATOM 31 C VAL A 3 -9.144 2.546 -0.452 1.00 0.00 C ATOM 32 O VAL A 3 -8.117 2.001 -0.807 1.00 0.00 O ATOM 33 CB VAL A 3 -10.090 3.358 1.768 1.00 0.00 C ATOM 34 CG1 VAL A 3 -10.654 2.920 3.136 1.00 0.00 C ATOM 35 CG2 VAL A 3 -8.794 4.178 1.956 1.00 0.00 C ATOM 0 H VAL A 3 -7.948 1.540 1.655 1.00 0.00 H new ATOM 0 HA VAL A 3 -10.788 1.652 0.645 1.00 0.00 H new ATOM 0 HB VAL A 3 -10.830 3.991 1.278 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -10.829 3.799 3.756 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -11.593 2.387 2.989 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -9.938 2.264 3.631 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -8.997 5.038 2.594 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -8.032 3.553 2.422 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -8.437 4.522 0.985 1.00 0.00 H new ATOM 45 N GLU A 4 -9.763 3.504 -1.100 1.00 0.00 N ATOM 46 CA GLU A 4 -9.306 4.106 -2.403 1.00 0.00 C ATOM 47 C GLU A 4 -7.926 3.641 -2.966 1.00 0.00 C ATOM 48 O GLU A 4 -6.992 4.411 -3.006 1.00 0.00 O ATOM 49 CB GLU A 4 -9.328 5.663 -2.205 1.00 0.00 C ATOM 50 CG GLU A 4 -10.760 6.258 -2.357 1.00 0.00 C ATOM 51 CD GLU A 4 -11.759 5.544 -1.425 1.00 0.00 C ATOM 52 OE1 GLU A 4 -11.650 5.770 -0.233 1.00 0.00 O ATOM 53 OE2 GLU A 4 -12.578 4.809 -1.952 1.00 0.00 O ATOM 0 H GLU A 4 -10.627 3.922 -0.754 1.00 0.00 H new ATOM 0 HA GLU A 4 -9.994 3.748 -3.169 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -8.939 5.907 -1.217 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -8.664 6.129 -2.933 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -10.741 7.323 -2.127 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -11.090 6.161 -3.391 1.00 0.00 H new ATOM 60 N GLN A 5 -7.869 2.389 -3.360 1.00 0.00 N ATOM 61 CA GLN A 5 -6.653 1.701 -3.941 1.00 0.00 C ATOM 62 C GLN A 5 -5.602 2.563 -4.696 1.00 0.00 C ATOM 63 O GLN A 5 -4.446 2.191 -4.776 1.00 0.00 O ATOM 64 CB GLN A 5 -7.191 0.560 -4.867 1.00 0.00 C ATOM 65 CG GLN A 5 -6.050 -0.380 -5.361 1.00 0.00 C ATOM 66 CD GLN A 5 -6.656 -1.495 -6.235 1.00 0.00 C ATOM 67 OE1 GLN A 5 -7.399 -2.334 -5.762 1.00 0.00 O ATOM 68 NE2 GLN A 5 -6.369 -1.545 -7.509 1.00 0.00 N ATOM 0 H GLN A 5 -8.676 1.768 -3.298 1.00 0.00 H new ATOM 0 HA GLN A 5 -6.072 1.356 -3.086 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -7.934 -0.026 -4.326 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -7.696 0.999 -5.727 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -5.316 0.188 -5.932 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -5.525 -0.813 -4.510 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -5.747 -0.848 -7.919 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -6.767 -2.281 -8.093 1.00 0.00 H new ATOM 77 N CYS A 6 -6.041 3.679 -5.221 1.00 0.00 N ATOM 78 CA CYS A 6 -5.158 4.626 -5.989 1.00 0.00 C ATOM 79 C CYS A 6 -4.399 5.692 -5.161 1.00 0.00 C ATOM 80 O CYS A 6 -3.240 5.963 -5.402 1.00 0.00 O ATOM 81 CB CYS A 6 -6.039 5.320 -7.032 1.00 0.00 C ATOM 82 SG CYS A 6 -5.891 4.771 -8.752 1.00 0.00 S ATOM 0 H CYS A 6 -7.010 3.988 -5.149 1.00 0.00 H new ATOM 0 HA CYS A 6 -4.362 4.019 -6.420 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -7.079 5.198 -6.728 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -5.821 6.387 -7.000 1.00 0.00 H new ATOM 87 N CYS A 7 -5.083 6.273 -4.217 1.00 0.00 N ATOM 88 CA CYS A 7 -4.481 7.325 -3.337 1.00 0.00 C ATOM 89 C CYS A 7 -5.346 7.334 -2.059 1.00 0.00 C ATOM 90 O CYS A 7 -5.862 8.342 -1.614 1.00 0.00 O ATOM 91 CB CYS A 7 -4.522 8.699 -4.066 1.00 0.00 C ATOM 92 SG CYS A 7 -3.549 10.027 -3.313 1.00 0.00 S ATOM 0 H CYS A 7 -6.059 6.061 -4.010 1.00 0.00 H new ATOM 0 HA CYS A 7 -3.436 7.128 -3.096 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -4.174 8.556 -5.089 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -5.560 9.025 -4.126 1.00 0.00 H new ATOM 97 N THR A 8 -5.442 6.141 -1.541 1.00 0.00 N ATOM 98 CA THR A 8 -6.206 5.765 -0.307 1.00 0.00 C ATOM 99 C THR A 8 -6.670 6.896 0.647 1.00 0.00 C ATOM 100 O THR A 8 -7.818 7.285 0.601 1.00 0.00 O ATOM 101 CB THR A 8 -5.318 4.692 0.460 1.00 0.00 C ATOM 102 OG1 THR A 8 -4.176 5.347 1.004 1.00 0.00 O ATOM 103 CG2 THR A 8 -4.674 3.700 -0.559 1.00 0.00 C ATOM 0 H THR A 8 -4.977 5.338 -1.965 1.00 0.00 H new ATOM 0 HA THR A 8 -7.167 5.383 -0.650 1.00 0.00 H new ATOM 0 HB THR A 8 -5.958 4.205 1.195 1.00 0.00 H new ATOM 0 HG1 THR A 8 -3.362 4.948 0.632 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.068 2.970 -0.023 1.00 0.00 H new ATOM 0 HG22 THR A 8 -5.460 3.184 -1.111 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.044 4.252 -1.256 1.00 0.00 H new ATOM 111 N SER A 9 -5.776 7.382 1.467 1.00 0.00 N ATOM 112 CA SER A 9 -6.083 8.469 2.439 1.00 0.00 C ATOM 113 C SER A 9 -4.994 9.540 2.357 1.00 0.00 C ATOM 114 O SER A 9 -5.237 10.645 1.905 1.00 0.00 O ATOM 115 CB SER A 9 -6.184 7.792 3.838 1.00 0.00 C ATOM 116 OG SER A 9 -5.026 6.970 3.972 1.00 0.00 O ATOM 0 H SER A 9 -4.810 7.056 1.502 1.00 0.00 H new ATOM 0 HA SER A 9 -7.022 8.980 2.227 1.00 0.00 H new ATOM 0 HB2 SER A 9 -6.223 8.540 4.630 1.00 0.00 H new ATOM 0 HB3 SER A 9 -7.094 7.197 3.917 1.00 0.00 H new ATOM 0 HG SER A 9 -5.043 6.521 4.843 1.00 0.00 H new ATOM 122 N ILE A 10 -3.823 9.173 2.805 1.00 0.00 N ATOM 123 CA ILE A 10 -2.655 10.107 2.785 1.00 0.00 C ATOM 124 C ILE A 10 -1.539 9.368 2.036 1.00 0.00 C ATOM 125 O ILE A 10 -0.389 9.349 2.420 1.00 0.00 O ATOM 126 CB ILE A 10 -2.264 10.457 4.262 1.00 0.00 C ATOM 127 CG1 ILE A 10 -3.553 10.947 4.987 1.00 0.00 C ATOM 128 CG2 ILE A 10 -1.217 11.598 4.253 1.00 0.00 C ATOM 129 CD1 ILE A 10 -3.272 11.488 6.410 1.00 0.00 C ATOM 0 H ILE A 10 -3.622 8.250 3.191 1.00 0.00 H new ATOM 0 HA ILE A 10 -2.865 11.052 2.285 1.00 0.00 H new ATOM 0 HB ILE A 10 -1.844 9.588 4.769 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -4.024 11.730 4.392 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -4.264 10.123 5.050 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.941 11.846 5.278 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -0.331 11.275 3.707 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.641 12.477 3.768 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -4.206 11.815 6.866 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.828 10.700 7.018 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.584 12.331 6.349 1.00 0.00 H new ATOM 141 N CYS A 11 -2.001 8.776 0.962 1.00 0.00 N ATOM 142 CA CYS A 11 -1.217 7.966 -0.028 1.00 0.00 C ATOM 143 C CYS A 11 0.313 7.962 0.194 1.00 0.00 C ATOM 144 O CYS A 11 1.061 8.597 -0.524 1.00 0.00 O ATOM 145 CB CYS A 11 -1.617 8.528 -1.402 1.00 0.00 C ATOM 146 SG CYS A 11 -3.219 9.377 -1.427 1.00 0.00 S ATOM 0 H CYS A 11 -2.988 8.830 0.712 1.00 0.00 H new ATOM 0 HA CYS A 11 -1.459 6.909 0.078 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -0.846 9.223 -1.735 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -1.642 7.710 -2.122 1.00 0.00 H new ATOM 151 N SER A 12 0.704 7.227 1.204 1.00 0.00 N ATOM 152 CA SER A 12 2.125 7.074 1.614 1.00 0.00 C ATOM 153 C SER A 12 2.548 5.651 1.229 1.00 0.00 C ATOM 154 O SER A 12 1.731 4.752 1.147 1.00 0.00 O ATOM 155 CB SER A 12 2.198 7.279 3.145 1.00 0.00 C ATOM 156 OG SER A 12 1.297 6.294 3.629 1.00 0.00 O ATOM 0 H SER A 12 0.055 6.701 1.789 1.00 0.00 H new ATOM 0 HA SER A 12 2.784 7.795 1.131 1.00 0.00 H new ATOM 0 HB2 SER A 12 3.208 7.128 3.527 1.00 0.00 H new ATOM 0 HB3 SER A 12 1.894 8.285 3.435 1.00 0.00 H new ATOM 0 HG SER A 12 1.265 6.333 4.608 1.00 0.00 H new ATOM 162 N LEU A 13 3.825 5.505 1.004 1.00 0.00 N ATOM 163 CA LEU A 13 4.391 4.175 0.625 1.00 0.00 C ATOM 164 C LEU A 13 4.123 3.220 1.806 1.00 0.00 C ATOM 165 O LEU A 13 4.140 2.014 1.666 1.00 0.00 O ATOM 166 CB LEU A 13 5.900 4.305 0.369 1.00 0.00 C ATOM 167 CG LEU A 13 6.258 5.295 -0.810 1.00 0.00 C ATOM 168 CD1 LEU A 13 5.364 5.038 -2.037 1.00 0.00 C ATOM 169 CD2 LEU A 13 6.174 6.786 -0.408 1.00 0.00 C ATOM 0 H LEU A 13 4.510 6.258 1.067 1.00 0.00 H new ATOM 0 HA LEU A 13 3.931 3.795 -0.287 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.387 4.649 1.282 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.308 3.320 0.142 1.00 0.00 H new ATOM 0 HG LEU A 13 7.298 5.089 -1.062 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.631 5.732 -2.834 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.508 4.015 -2.384 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.319 5.185 -1.763 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.432 7.409 -1.264 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.160 7.019 -0.083 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.871 6.983 0.407 1.00 0.00 H new ATOM 181 N TYR A 14 3.874 3.821 2.946 1.00 0.00 N ATOM 182 CA TYR A 14 3.595 3.055 4.183 1.00 0.00 C ATOM 183 C TYR A 14 2.242 2.340 4.045 1.00 0.00 C ATOM 184 O TYR A 14 2.089 1.250 4.557 1.00 0.00 O ATOM 185 CB TYR A 14 3.604 4.038 5.386 1.00 0.00 C ATOM 186 CG TYR A 14 3.458 3.199 6.655 1.00 0.00 C ATOM 187 CD1 TYR A 14 4.549 2.523 7.158 1.00 0.00 C ATOM 188 CD2 TYR A 14 2.240 3.102 7.299 1.00 0.00 C ATOM 189 CE1 TYR A 14 4.422 1.756 8.293 1.00 0.00 C ATOM 190 CE2 TYR A 14 2.117 2.335 8.435 1.00 0.00 C ATOM 191 CZ TYR A 14 3.205 1.656 8.940 1.00 0.00 C ATOM 192 OH TYR A 14 3.084 0.892 10.082 1.00 0.00 O ATOM 0 H TYR A 14 3.854 4.834 3.064 1.00 0.00 H new ATOM 0 HA TYR A 14 4.358 2.294 4.350 1.00 0.00 H new ATOM 0 HB2 TYR A 14 4.531 4.611 5.408 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.788 4.756 5.303 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.505 2.596 6.660 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.382 3.630 6.910 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.280 1.228 8.681 1.00 0.00 H new ATOM 0 HE2 TYR A 14 1.162 2.265 8.934 1.00 0.00 H new ATOM 0 HH TYR A 14 2.160 0.934 10.407 1.00 0.00 H new ATOM 202 N GLN A 15 1.295 2.945 3.368 1.00 0.00 N ATOM 203 CA GLN A 15 -0.033 2.283 3.200 1.00 0.00 C ATOM 204 C GLN A 15 0.130 1.215 2.091 1.00 0.00 C ATOM 205 O GLN A 15 -0.719 0.361 1.931 1.00 0.00 O ATOM 206 CB GLN A 15 -1.062 3.332 2.786 1.00 0.00 C ATOM 207 CG GLN A 15 -2.510 2.757 2.838 1.00 0.00 C ATOM 208 CD GLN A 15 -3.192 3.079 4.172 1.00 0.00 C ATOM 209 OE1 GLN A 15 -2.922 2.501 5.208 1.00 0.00 O ATOM 210 NE2 GLN A 15 -4.097 4.018 4.151 1.00 0.00 N ATOM 0 H GLN A 15 1.385 3.861 2.929 1.00 0.00 H new ATOM 0 HA GLN A 15 -0.372 1.817 4.125 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -0.988 4.197 3.445 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -0.843 3.681 1.777 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -3.097 3.171 2.018 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -2.480 1.677 2.695 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -4.316 4.496 3.277 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -4.586 4.274 5.009 1.00 0.00 H new ATOM 219 N LEU A 16 1.220 1.277 1.352 1.00 0.00 N ATOM 220 CA LEU A 16 1.426 0.264 0.270 1.00 0.00 C ATOM 221 C LEU A 16 1.971 -0.997 0.937 1.00 0.00 C ATOM 222 O LEU A 16 1.812 -2.091 0.436 1.00 0.00 O ATOM 223 CB LEU A 16 2.435 0.763 -0.772 1.00 0.00 C ATOM 224 CG LEU A 16 2.102 2.195 -1.226 1.00 0.00 C ATOM 225 CD1 LEU A 16 3.014 2.524 -2.432 1.00 0.00 C ATOM 226 CD2 LEU A 16 0.624 2.414 -1.573 1.00 0.00 C ATOM 0 H LEU A 16 1.960 1.972 1.451 1.00 0.00 H new ATOM 0 HA LEU A 16 0.485 0.075 -0.246 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.440 0.736 -0.351 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.433 0.095 -1.634 1.00 0.00 H new ATOM 0 HG LEU A 16 2.287 2.871 -0.391 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.805 3.535 -2.781 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.058 2.454 -2.128 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.822 1.815 -3.237 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.472 3.448 -1.883 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.338 1.746 -2.385 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.010 2.204 -0.697 1.00 0.00 H new ATOM 238 N GLU A 17 2.603 -0.811 2.067 1.00 0.00 N ATOM 239 CA GLU A 17 3.165 -1.974 2.814 1.00 0.00 C ATOM 240 C GLU A 17 1.972 -2.881 3.198 1.00 0.00 C ATOM 241 O GLU A 17 2.136 -4.062 3.405 1.00 0.00 O ATOM 242 CB GLU A 17 3.893 -1.450 4.084 1.00 0.00 C ATOM 243 CG GLU A 17 5.150 -0.628 3.664 1.00 0.00 C ATOM 244 CD GLU A 17 5.811 0.140 4.838 1.00 0.00 C ATOM 245 OE1 GLU A 17 5.696 -0.311 5.968 1.00 0.00 O ATOM 246 OE2 GLU A 17 6.418 1.154 4.524 1.00 0.00 O ATOM 0 H GLU A 17 2.754 0.098 2.505 1.00 0.00 H new ATOM 0 HA GLU A 17 3.884 -2.535 2.217 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.218 -0.827 4.671 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.188 -2.286 4.718 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.884 -1.302 3.223 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.866 0.084 2.889 1.00 0.00 H new ATOM 253 N ASN A 18 0.802 -2.285 3.248 1.00 0.00 N ATOM 254 CA ASN A 18 -0.471 -2.994 3.608 1.00 0.00 C ATOM 255 C ASN A 18 -0.888 -4.078 2.585 1.00 0.00 C ATOM 256 O ASN A 18 -1.688 -4.936 2.899 1.00 0.00 O ATOM 257 CB ASN A 18 -1.554 -1.879 3.760 1.00 0.00 C ATOM 258 CG ASN A 18 -2.896 -2.293 4.402 1.00 0.00 C ATOM 259 OD1 ASN A 18 -3.701 -1.440 4.721 1.00 0.00 O ATOM 260 ND2 ASN A 18 -3.217 -3.540 4.618 1.00 0.00 N ATOM 0 H ASN A 18 0.674 -1.294 3.045 1.00 0.00 H new ATOM 0 HA ASN A 18 -0.339 -3.554 4.534 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -1.128 -1.071 4.355 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -1.762 -1.471 2.771 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -4.117 -3.769 5.041 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -2.568 -4.285 4.364 1.00 0.00 H new ATOM 267 N TYR A 19 -0.344 -4.039 1.394 1.00 0.00 N ATOM 268 CA TYR A 19 -0.739 -5.086 0.380 1.00 0.00 C ATOM 269 C TYR A 19 0.042 -6.399 0.619 1.00 0.00 C ATOM 270 O TYR A 19 -0.377 -7.431 0.132 1.00 0.00 O ATOM 271 CB TYR A 19 -0.453 -4.574 -1.085 1.00 0.00 C ATOM 272 CG TYR A 19 -1.286 -3.316 -1.459 1.00 0.00 C ATOM 273 CD1 TYR A 19 -1.083 -2.103 -0.822 1.00 0.00 C ATOM 274 CD2 TYR A 19 -2.248 -3.377 -2.453 1.00 0.00 C ATOM 275 CE1 TYR A 19 -1.807 -0.984 -1.171 1.00 0.00 C ATOM 276 CE2 TYR A 19 -2.974 -2.256 -2.798 1.00 0.00 C ATOM 277 CZ TYR A 19 -2.763 -1.052 -2.161 1.00 0.00 C ATOM 278 OH TYR A 19 -3.493 0.068 -2.510 1.00 0.00 O ATOM 0 H TYR A 19 0.339 -3.351 1.078 1.00 0.00 H new ATOM 0 HA TYR A 19 -1.806 -5.276 0.495 1.00 0.00 H new ATOM 0 HB2 TYR A 19 0.608 -4.344 -1.183 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -0.673 -5.373 -1.793 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -0.344 -2.033 -0.038 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -2.432 -4.311 -2.963 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -1.624 -0.047 -0.665 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -3.718 -2.323 -3.578 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.741 0.015 -3.457 1.00 0.00 H new ATOM 288 N CYS A 20 1.126 -6.330 1.357 1.00 0.00 N ATOM 289 CA CYS A 20 1.959 -7.550 1.656 1.00 0.00 C ATOM 290 C CYS A 20 1.894 -7.848 3.169 1.00 0.00 C ATOM 291 O CYS A 20 1.893 -8.990 3.587 1.00 0.00 O ATOM 292 CB CYS A 20 3.433 -7.304 1.224 1.00 0.00 C ATOM 293 SG CYS A 20 3.677 -6.132 -0.132 1.00 0.00 S ATOM 0 H CYS A 20 1.477 -5.468 1.773 1.00 0.00 H new ATOM 0 HA CYS A 20 1.570 -8.403 1.100 1.00 0.00 H new ATOM 0 HB2 CYS A 20 3.990 -6.948 2.091 1.00 0.00 H new ATOM 0 HB3 CYS A 20 3.870 -8.260 0.935 1.00 0.00 H new ATOM 298 N ASN A 21 1.842 -6.791 3.942 1.00 0.00 N ATOM 299 CA ASN A 21 1.780 -6.851 5.428 1.00 0.00 C ATOM 300 C ASN A 21 0.391 -6.374 5.886 1.00 0.00 C ATOM 301 O ASN A 21 -0.406 -5.831 5.144 1.00 0.00 O ATOM 302 CB ASN A 21 2.865 -5.925 6.017 1.00 0.00 C ATOM 303 CG ASN A 21 4.297 -6.437 5.775 1.00 0.00 C ATOM 304 OD1 ASN A 21 5.258 -5.731 6.005 1.00 0.00 O ATOM 305 ND2 ASN A 21 4.505 -7.644 5.318 1.00 0.00 N ATOM 0 H ASN A 21 1.840 -5.839 3.576 1.00 0.00 H new ATOM 0 HA ASN A 21 1.950 -7.872 5.771 1.00 0.00 H new ATOM 0 HB2 ASN A 21 2.762 -4.932 5.579 1.00 0.00 H new ATOM 0 HB3 ASN A 21 2.700 -5.819 7.089 1.00 0.00 H new ATOM 0 HD21 ASN A 21 5.458 -7.973 5.162 1.00 0.00 H new ATOM 0 HD22 ASN A 21 3.715 -8.256 5.117 1.00 0.00 H new TER 312 ASN A 21 ATOM 313 N PHE B 1 12.801 5.497 -4.569 1.00 0.00 N ATOM 314 CA PHE B 1 11.704 6.407 -4.128 1.00 0.00 C ATOM 315 C PHE B 1 10.863 6.786 -5.354 1.00 0.00 C ATOM 316 O PHE B 1 11.366 6.786 -6.461 1.00 0.00 O ATOM 317 CB PHE B 1 12.319 7.674 -3.501 1.00 0.00 C ATOM 318 CG PHE B 1 11.268 8.606 -2.859 1.00 0.00 C ATOM 319 CD1 PHE B 1 10.249 8.112 -2.062 1.00 0.00 C ATOM 320 CD2 PHE B 1 11.344 9.973 -3.064 1.00 0.00 C ATOM 321 CE1 PHE B 1 9.330 8.968 -1.483 1.00 0.00 C ATOM 322 CE2 PHE B 1 10.428 10.826 -2.487 1.00 0.00 C ATOM 323 CZ PHE B 1 9.423 10.320 -1.698 1.00 0.00 C ATOM 0 H1 PHE B 1 13.650 5.673 -3.995 1.00 0.00 H new ATOM 0 H2 PHE B 1 12.501 4.508 -4.450 1.00 0.00 H new ATOM 0 H3 PHE B 1 13.018 5.675 -5.571 1.00 0.00 H new ATOM 0 HA PHE B 1 11.074 5.913 -3.388 1.00 0.00 H new ATOM 0 HB2 PHE B 1 13.046 7.381 -2.744 1.00 0.00 H new ATOM 0 HB3 PHE B 1 12.863 8.224 -4.269 1.00 0.00 H new ATOM 0 HD1 PHE B 1 10.171 7.048 -1.891 1.00 0.00 H new ATOM 0 HD2 PHE B 1 12.131 10.376 -3.684 1.00 0.00 H new ATOM 0 HE1 PHE B 1 8.540 8.573 -0.862 1.00 0.00 H new ATOM 0 HE2 PHE B 1 10.500 11.890 -2.655 1.00 0.00 H new ATOM 0 HZ PHE B 1 8.705 10.988 -1.246 1.00 0.00 H new ATOM 335 N VAL B 2 9.618 7.104 -5.112 1.00 0.00 N ATOM 336 CA VAL B 2 8.693 7.488 -6.219 1.00 0.00 C ATOM 337 C VAL B 2 8.246 8.946 -6.068 1.00 0.00 C ATOM 338 O VAL B 2 8.614 9.628 -5.132 1.00 0.00 O ATOM 339 CB VAL B 2 7.462 6.517 -6.206 1.00 0.00 C ATOM 340 CG1 VAL B 2 7.842 5.152 -6.842 1.00 0.00 C ATOM 341 CG2 VAL B 2 7.013 6.241 -4.756 1.00 0.00 C ATOM 0 H VAL B 2 9.198 7.114 -4.183 1.00 0.00 H new ATOM 0 HA VAL B 2 9.209 7.404 -7.176 1.00 0.00 H new ATOM 0 HB VAL B 2 6.661 6.992 -6.772 1.00 0.00 H new ATOM 0 HG11 VAL B 2 6.977 4.489 -6.825 1.00 0.00 H new ATOM 0 HG12 VAL B 2 8.161 5.307 -7.873 1.00 0.00 H new ATOM 0 HG13 VAL B 2 8.656 4.700 -6.275 1.00 0.00 H new ATOM 0 HG21 VAL B 2 6.158 5.565 -4.762 1.00 0.00 H new ATOM 0 HG22 VAL B 2 7.833 5.783 -4.202 1.00 0.00 H new ATOM 0 HG23 VAL B 2 6.731 7.179 -4.278 1.00 0.00 H new ATOM 351 N ASN B 3 7.452 9.367 -7.015 1.00 0.00 N ATOM 352 CA ASN B 3 6.909 10.763 -7.040 1.00 0.00 C ATOM 353 C ASN B 3 5.495 10.620 -6.404 1.00 0.00 C ATOM 354 O ASN B 3 5.071 9.502 -6.167 1.00 0.00 O ATOM 355 CB ASN B 3 6.910 11.197 -8.555 1.00 0.00 C ATOM 356 CG ASN B 3 8.311 10.937 -9.154 1.00 0.00 C ATOM 357 OD1 ASN B 3 9.286 11.557 -8.777 1.00 0.00 O ATOM 358 ND2 ASN B 3 8.461 10.029 -10.084 1.00 0.00 N ATOM 0 H ASN B 3 7.147 8.787 -7.796 1.00 0.00 H new ATOM 0 HA ASN B 3 7.464 11.525 -6.494 1.00 0.00 H new ATOM 0 HB2 ASN B 3 6.155 10.637 -9.107 1.00 0.00 H new ATOM 0 HB3 ASN B 3 6.653 12.252 -8.644 1.00 0.00 H new ATOM 0 HD21 ASN B 3 9.384 9.852 -10.480 1.00 0.00 H new ATOM 0 HD22 ASN B 3 7.655 9.498 -10.413 1.00 0.00 H new ATOM 365 N GLN B 4 4.783 11.692 -6.129 1.00 0.00 N ATOM 366 CA GLN B 4 3.417 11.543 -5.520 1.00 0.00 C ATOM 367 C GLN B 4 2.444 11.287 -6.693 1.00 0.00 C ATOM 368 O GLN B 4 1.345 11.807 -6.729 1.00 0.00 O ATOM 369 CB GLN B 4 3.095 12.864 -4.760 1.00 0.00 C ATOM 370 CG GLN B 4 1.803 12.765 -3.909 1.00 0.00 C ATOM 371 CD GLN B 4 1.951 11.668 -2.847 1.00 0.00 C ATOM 372 OE1 GLN B 4 2.883 11.669 -2.067 1.00 0.00 O ATOM 373 NE2 GLN B 4 1.056 10.721 -2.784 1.00 0.00 N ATOM 0 H GLN B 4 5.084 12.652 -6.297 1.00 0.00 H new ATOM 0 HA GLN B 4 3.341 10.721 -4.808 1.00 0.00 H new ATOM 0 HB2 GLN B 4 3.933 13.119 -4.112 1.00 0.00 H new ATOM 0 HB3 GLN B 4 2.990 13.676 -5.480 1.00 0.00 H new ATOM 0 HG2 GLN B 4 1.601 13.722 -3.428 1.00 0.00 H new ATOM 0 HG3 GLN B 4 0.951 12.546 -4.552 1.00 0.00 H new ATOM 0 HE21 GLN B 4 0.272 10.716 -3.436 1.00 0.00 H new ATOM 0 HE22 GLN B 4 1.140 9.986 -2.082 1.00 0.00 H new ATOM 382 N HIS B 5 2.886 10.478 -7.634 1.00 0.00 N ATOM 383 CA HIS B 5 2.076 10.127 -8.830 1.00 0.00 C ATOM 384 C HIS B 5 1.619 8.685 -8.567 1.00 0.00 C ATOM 385 O HIS B 5 1.953 7.772 -9.299 1.00 0.00 O ATOM 386 CB HIS B 5 2.994 10.233 -10.075 1.00 0.00 C ATOM 387 CG HIS B 5 3.528 11.660 -10.264 1.00 0.00 C ATOM 388 ND1 HIS B 5 4.253 12.047 -11.260 1.00 0.00 N ATOM 389 CD2 HIS B 5 3.384 12.803 -9.491 1.00 0.00 C ATOM 390 CE1 HIS B 5 4.540 13.304 -11.135 1.00 0.00 C ATOM 391 NE2 HIS B 5 4.019 13.817 -10.047 1.00 0.00 N ATOM 0 H HIS B 5 3.806 10.038 -7.612 1.00 0.00 H new ATOM 0 HA HIS B 5 1.218 10.776 -9.007 1.00 0.00 H new ATOM 0 HB2 HIS B 5 3.830 9.542 -9.971 1.00 0.00 H new ATOM 0 HB3 HIS B 5 2.439 9.931 -10.963 1.00 0.00 H new ATOM 0 HD2 HIS B 5 2.830 12.855 -8.565 1.00 0.00 H new ATOM 0 HE1 HIS B 5 5.136 13.862 -11.842 1.00 0.00 H new ATOM 0 HE2 HIS B 5 4.088 14.777 -9.709 1.00 0.00 H new ATOM 399 N LEU B 6 0.853 8.551 -7.508 1.00 0.00 N ATOM 400 CA LEU B 6 0.319 7.219 -7.095 1.00 0.00 C ATOM 401 C LEU B 6 -1.159 7.139 -7.491 1.00 0.00 C ATOM 402 O LEU B 6 -2.003 7.850 -6.982 1.00 0.00 O ATOM 403 CB LEU B 6 0.546 7.097 -5.567 1.00 0.00 C ATOM 404 CG LEU B 6 2.077 7.255 -5.249 1.00 0.00 C ATOM 405 CD1 LEU B 6 2.271 7.488 -3.733 1.00 0.00 C ATOM 406 CD2 LEU B 6 2.850 5.970 -5.622 1.00 0.00 C ATOM 0 H LEU B 6 0.573 9.324 -6.905 1.00 0.00 H new ATOM 0 HA LEU B 6 0.822 6.387 -7.588 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -0.026 7.862 -5.042 1.00 0.00 H new ATOM 0 HB3 LEU B 6 0.188 6.131 -5.212 1.00 0.00 H new ATOM 0 HG LEU B 6 2.453 8.098 -5.828 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.333 7.597 -3.515 1.00 0.00 H new ATOM 0 HD12 LEU B 6 1.744 8.394 -3.434 1.00 0.00 H new ATOM 0 HD13 LEU B 6 1.873 6.637 -3.180 1.00 0.00 H new ATOM 0 HD21 LEU B 6 3.908 6.102 -5.393 1.00 0.00 H new ATOM 0 HD22 LEU B 6 2.457 5.130 -5.049 1.00 0.00 H new ATOM 0 HD23 LEU B 6 2.731 5.770 -6.687 1.00 0.00 H new ATOM 418 N CYS B 7 -1.349 6.219 -8.410 1.00 0.00 N ATOM 419 CA CYS B 7 -2.626 5.815 -9.093 1.00 0.00 C ATOM 420 C CYS B 7 -2.043 5.791 -10.503 1.00 0.00 C ATOM 421 O CYS B 7 -2.033 6.789 -11.200 1.00 0.00 O ATOM 422 CB CYS B 7 -3.742 6.892 -8.995 1.00 0.00 C ATOM 423 SG CYS B 7 -5.348 6.462 -9.710 1.00 0.00 S ATOM 0 H CYS B 7 -0.563 5.666 -8.752 1.00 0.00 H new ATOM 0 HA CYS B 7 -3.112 4.919 -8.708 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -3.891 7.133 -7.943 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -3.384 7.799 -9.482 1.00 0.00 H new ATOM 428 N GLY B 8 -1.555 4.621 -10.851 1.00 0.00 N ATOM 429 CA GLY B 8 -0.930 4.413 -12.189 1.00 0.00 C ATOM 430 C GLY B 8 0.516 3.786 -11.976 1.00 0.00 C ATOM 431 O GLY B 8 0.833 3.392 -10.866 1.00 0.00 O ATOM 0 H GLY B 8 -1.566 3.794 -10.253 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -1.546 3.749 -12.796 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -0.858 5.359 -12.725 1.00 0.00 H new ATOM 435 N SER B 9 1.359 3.671 -12.998 1.00 0.00 N ATOM 436 CA SER B 9 2.749 3.098 -12.907 1.00 0.00 C ATOM 437 C SER B 9 3.571 3.051 -11.614 1.00 0.00 C ATOM 438 O SER B 9 4.295 2.103 -11.422 1.00 0.00 O ATOM 439 CB SER B 9 3.592 3.809 -13.977 1.00 0.00 C ATOM 440 OG SER B 9 3.059 3.317 -15.195 1.00 0.00 O ATOM 0 H SER B 9 1.115 3.972 -13.942 1.00 0.00 H new ATOM 0 HA SER B 9 2.537 2.035 -13.020 1.00 0.00 H new ATOM 0 HB2 SER B 9 3.500 4.893 -13.907 1.00 0.00 H new ATOM 0 HB3 SER B 9 4.651 3.572 -13.877 1.00 0.00 H new ATOM 0 HG SER B 9 3.538 3.720 -15.949 1.00 0.00 H new ATOM 446 N HIS B 10 3.470 4.019 -10.750 1.00 0.00 N ATOM 447 CA HIS B 10 4.277 3.990 -9.483 1.00 0.00 C ATOM 448 C HIS B 10 3.686 3.046 -8.442 1.00 0.00 C ATOM 449 O HIS B 10 4.412 2.541 -7.611 1.00 0.00 O ATOM 450 CB HIS B 10 4.379 5.409 -8.915 1.00 0.00 C ATOM 451 CG HIS B 10 5.327 6.206 -9.809 1.00 0.00 C ATOM 452 ND1 HIS B 10 6.595 5.991 -9.918 1.00 0.00 N ATOM 453 CD2 HIS B 10 5.101 7.275 -10.665 1.00 0.00 C ATOM 454 CE1 HIS B 10 7.119 6.828 -10.748 1.00 0.00 C ATOM 455 NE2 HIS B 10 6.224 7.653 -11.244 1.00 0.00 N ATOM 0 H HIS B 10 2.865 4.833 -10.859 1.00 0.00 H new ATOM 0 HA HIS B 10 5.270 3.612 -9.726 1.00 0.00 H new ATOM 0 HB2 HIS B 10 3.396 5.880 -8.886 1.00 0.00 H new ATOM 0 HB3 HIS B 10 4.751 5.384 -7.891 1.00 0.00 H new ATOM 0 HD2 HIS B 10 4.138 7.734 -10.834 1.00 0.00 H new ATOM 0 HE1 HIS B 10 8.168 6.848 -11.005 1.00 0.00 H new ATOM 0 HE2 HIS B 10 6.365 8.407 -11.917 1.00 0.00 H new ATOM 463 N LEU B 11 2.399 2.809 -8.497 1.00 0.00 N ATOM 464 CA LEU B 11 1.770 1.878 -7.514 1.00 0.00 C ATOM 465 C LEU B 11 2.010 0.528 -8.210 1.00 0.00 C ATOM 466 O LEU B 11 2.131 -0.477 -7.543 1.00 0.00 O ATOM 467 CB LEU B 11 0.251 2.148 -7.349 1.00 0.00 C ATOM 468 CG LEU B 11 0.008 3.325 -6.356 1.00 0.00 C ATOM 469 CD1 LEU B 11 -1.469 3.671 -6.381 1.00 0.00 C ATOM 470 CD2 LEU B 11 0.318 2.927 -4.884 1.00 0.00 C ATOM 0 H LEU B 11 1.760 3.219 -9.178 1.00 0.00 H new ATOM 0 HA LEU B 11 2.173 1.959 -6.505 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -0.189 2.385 -8.318 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -0.246 1.249 -6.985 1.00 0.00 H new ATOM 0 HG LEU B 11 0.656 4.146 -6.663 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -1.662 4.494 -5.692 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -1.756 3.968 -7.390 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -2.052 2.801 -6.079 1.00 0.00 H new ATOM 0 HD21 LEU B 11 0.134 3.779 -4.230 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -0.324 2.097 -4.588 1.00 0.00 H new ATOM 0 HD23 LEU B 11 1.362 2.625 -4.801 1.00 0.00 H new ATOM 482 N VAL B 12 2.085 0.528 -9.526 1.00 0.00 N ATOM 483 CA VAL B 12 2.334 -0.779 -10.211 1.00 0.00 C ATOM 484 C VAL B 12 3.769 -1.192 -9.877 1.00 0.00 C ATOM 485 O VAL B 12 3.994 -2.329 -9.517 1.00 0.00 O ATOM 486 CB VAL B 12 2.217 -0.677 -11.755 1.00 0.00 C ATOM 487 CG1 VAL B 12 2.505 -2.060 -12.384 1.00 0.00 C ATOM 488 CG2 VAL B 12 0.803 -0.275 -12.149 1.00 0.00 C ATOM 0 H VAL B 12 1.989 1.343 -10.131 1.00 0.00 H new ATOM 0 HA VAL B 12 1.588 -1.496 -9.869 1.00 0.00 H new ATOM 0 HB VAL B 12 2.931 0.067 -12.107 1.00 0.00 H new ATOM 0 HG11 VAL B 12 2.423 -1.991 -13.469 1.00 0.00 H new ATOM 0 HG12 VAL B 12 3.512 -2.379 -12.116 1.00 0.00 H new ATOM 0 HG13 VAL B 12 1.783 -2.787 -12.012 1.00 0.00 H new ATOM 0 HG21 VAL B 12 0.733 -0.207 -13.235 1.00 0.00 H new ATOM 0 HG22 VAL B 12 0.098 -1.023 -11.786 1.00 0.00 H new ATOM 0 HG23 VAL B 12 0.564 0.693 -11.708 1.00 0.00 H new ATOM 498 N GLU B 13 4.704 -0.281 -9.986 1.00 0.00 N ATOM 499 CA GLU B 13 6.131 -0.651 -9.678 1.00 0.00 C ATOM 500 C GLU B 13 6.385 -0.814 -8.167 1.00 0.00 C ATOM 501 O GLU B 13 7.285 -1.533 -7.785 1.00 0.00 O ATOM 502 CB GLU B 13 7.086 0.428 -10.249 1.00 0.00 C ATOM 503 CG GLU B 13 6.812 0.596 -11.781 1.00 0.00 C ATOM 504 CD GLU B 13 7.104 2.018 -12.311 1.00 0.00 C ATOM 505 OE1 GLU B 13 7.499 2.882 -11.541 1.00 0.00 O ATOM 506 OE2 GLU B 13 6.898 2.168 -13.503 1.00 0.00 O ATOM 0 H GLU B 13 4.552 0.687 -10.269 1.00 0.00 H new ATOM 0 HA GLU B 13 6.323 -1.615 -10.148 1.00 0.00 H new ATOM 0 HB2 GLU B 13 6.933 1.376 -9.734 1.00 0.00 H new ATOM 0 HB3 GLU B 13 8.123 0.138 -10.082 1.00 0.00 H new ATOM 0 HG2 GLU B 13 7.423 -0.120 -12.331 1.00 0.00 H new ATOM 0 HG3 GLU B 13 5.770 0.349 -11.984 1.00 0.00 H new ATOM 513 N ALA B 14 5.599 -0.162 -7.346 1.00 0.00 N ATOM 514 CA ALA B 14 5.801 -0.281 -5.864 1.00 0.00 C ATOM 515 C ALA B 14 5.130 -1.516 -5.238 1.00 0.00 C ATOM 516 O ALA B 14 5.711 -2.104 -4.349 1.00 0.00 O ATOM 517 CB ALA B 14 5.267 1.001 -5.195 1.00 0.00 C ATOM 0 H ALA B 14 4.831 0.444 -7.633 1.00 0.00 H new ATOM 0 HA ALA B 14 6.870 -0.407 -5.693 1.00 0.00 H new ATOM 0 HB1 ALA B 14 5.405 0.933 -4.116 1.00 0.00 H new ATOM 0 HB2 ALA B 14 5.811 1.865 -5.577 1.00 0.00 H new ATOM 0 HB3 ALA B 14 4.206 1.113 -5.418 1.00 0.00 H new ATOM 523 N LEU B 15 3.958 -1.901 -5.683 1.00 0.00 N ATOM 524 CA LEU B 15 3.308 -3.105 -5.073 1.00 0.00 C ATOM 525 C LEU B 15 3.929 -4.365 -5.687 1.00 0.00 C ATOM 526 O LEU B 15 4.060 -5.380 -5.031 1.00 0.00 O ATOM 527 CB LEU B 15 1.759 -3.047 -5.329 1.00 0.00 C ATOM 528 CG LEU B 15 1.051 -2.046 -4.355 1.00 0.00 C ATOM 529 CD1 LEU B 15 1.714 -0.643 -4.327 1.00 0.00 C ATOM 530 CD2 LEU B 15 -0.405 -1.866 -4.821 1.00 0.00 C ATOM 0 H LEU B 15 3.431 -1.444 -6.428 1.00 0.00 H new ATOM 0 HA LEU B 15 3.471 -3.126 -3.995 1.00 0.00 H new ATOM 0 HB2 LEU B 15 1.571 -2.747 -6.360 1.00 0.00 H new ATOM 0 HB3 LEU B 15 1.331 -4.042 -5.203 1.00 0.00 H new ATOM 0 HG LEU B 15 1.125 -2.468 -3.353 1.00 0.00 H new ATOM 0 HD11 LEU B 15 1.174 0.001 -3.632 1.00 0.00 H new ATOM 0 HD12 LEU B 15 2.751 -0.737 -4.004 1.00 0.00 H new ATOM 0 HD13 LEU B 15 1.683 -0.206 -5.325 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -0.917 -1.171 -4.155 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -0.416 -1.470 -5.836 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -0.915 -2.829 -4.802 1.00 0.00 H new ATOM 542 N TYR B 16 4.322 -4.257 -6.926 1.00 0.00 N ATOM 543 CA TYR B 16 4.942 -5.420 -7.622 1.00 0.00 C ATOM 544 C TYR B 16 6.373 -5.584 -7.099 1.00 0.00 C ATOM 545 O TYR B 16 6.934 -6.660 -7.186 1.00 0.00 O ATOM 546 CB TYR B 16 4.993 -5.185 -9.140 1.00 0.00 C ATOM 547 CG TYR B 16 3.610 -5.269 -9.837 1.00 0.00 C ATOM 548 CD1 TYR B 16 2.446 -4.746 -9.306 1.00 0.00 C ATOM 549 CD2 TYR B 16 3.546 -5.920 -11.055 1.00 0.00 C ATOM 550 CE1 TYR B 16 1.254 -4.876 -9.976 1.00 0.00 C ATOM 551 CE2 TYR B 16 2.351 -6.052 -11.726 1.00 0.00 C ATOM 552 CZ TYR B 16 1.193 -5.529 -11.190 1.00 0.00 C ATOM 553 OH TYR B 16 -0.008 -5.656 -11.858 1.00 0.00 O ATOM 0 H TYR B 16 4.240 -3.410 -7.489 1.00 0.00 H new ATOM 0 HA TYR B 16 4.347 -6.312 -7.428 1.00 0.00 H new ATOM 0 HB2 TYR B 16 5.426 -4.203 -9.331 1.00 0.00 H new ATOM 0 HB3 TYR B 16 5.660 -5.921 -9.589 1.00 0.00 H new ATOM 0 HD1 TYR B 16 2.474 -4.231 -8.357 1.00 0.00 H new ATOM 0 HD2 TYR B 16 4.447 -6.331 -11.487 1.00 0.00 H new ATOM 0 HE1 TYR B 16 0.353 -4.462 -9.547 1.00 0.00 H new ATOM 0 HE2 TYR B 16 2.320 -6.567 -12.675 1.00 0.00 H new ATOM 0 HH TYR B 16 -0.704 -5.163 -11.376 1.00 0.00 H new ATOM 563 N LEU B 17 6.932 -4.523 -6.563 1.00 0.00 N ATOM 564 CA LEU B 17 8.328 -4.592 -6.020 1.00 0.00 C ATOM 565 C LEU B 17 8.332 -4.820 -4.496 1.00 0.00 C ATOM 566 O LEU B 17 9.330 -5.274 -3.977 1.00 0.00 O ATOM 567 CB LEU B 17 9.042 -3.270 -6.382 1.00 0.00 C ATOM 568 CG LEU B 17 10.524 -3.235 -5.885 1.00 0.00 C ATOM 569 CD1 LEU B 17 11.303 -4.510 -6.337 1.00 0.00 C ATOM 570 CD2 LEU B 17 11.233 -2.006 -6.519 1.00 0.00 C ATOM 0 H LEU B 17 6.481 -3.612 -6.478 1.00 0.00 H new ATOM 0 HA LEU B 17 8.853 -5.439 -6.462 1.00 0.00 H new ATOM 0 HB2 LEU B 17 9.021 -3.134 -7.463 1.00 0.00 H new ATOM 0 HB3 LEU B 17 8.496 -2.434 -5.945 1.00 0.00 H new ATOM 0 HG LEU B 17 10.516 -3.183 -4.796 1.00 0.00 H new ATOM 0 HD11 LEU B 17 12.330 -4.456 -5.976 1.00 0.00 H new ATOM 0 HD12 LEU B 17 10.820 -5.396 -5.926 1.00 0.00 H new ATOM 0 HD13 LEU B 17 11.304 -4.569 -7.425 1.00 0.00 H new ATOM 0 HD21 LEU B 17 12.269 -1.969 -6.181 1.00 0.00 H new ATOM 0 HD22 LEU B 17 11.209 -2.092 -7.605 1.00 0.00 H new ATOM 0 HD23 LEU B 17 10.720 -1.093 -6.216 1.00 0.00 H new ATOM 582 N VAL B 18 7.246 -4.521 -3.812 1.00 0.00 N ATOM 583 CA VAL B 18 7.211 -4.736 -2.326 1.00 0.00 C ATOM 584 C VAL B 18 6.573 -6.102 -1.999 1.00 0.00 C ATOM 585 O VAL B 18 7.044 -6.757 -1.084 1.00 0.00 O ATOM 586 CB VAL B 18 6.415 -3.566 -1.673 1.00 0.00 C ATOM 587 CG1 VAL B 18 6.210 -3.842 -0.157 1.00 0.00 C ATOM 588 CG2 VAL B 18 7.281 -2.284 -1.796 1.00 0.00 C ATOM 0 H VAL B 18 6.390 -4.141 -4.216 1.00 0.00 H new ATOM 0 HA VAL B 18 8.224 -4.745 -1.923 1.00 0.00 H new ATOM 0 HB VAL B 18 5.448 -3.461 -2.165 1.00 0.00 H new ATOM 0 HG11 VAL B 18 5.653 -3.019 0.291 1.00 0.00 H new ATOM 0 HG12 VAL B 18 5.653 -4.770 -0.028 1.00 0.00 H new ATOM 0 HG13 VAL B 18 7.181 -3.931 0.331 1.00 0.00 H new ATOM 0 HG21 VAL B 18 6.752 -1.443 -1.347 1.00 0.00 H new ATOM 0 HG22 VAL B 18 8.229 -2.434 -1.279 1.00 0.00 H new ATOM 0 HG23 VAL B 18 7.471 -2.073 -2.848 1.00 0.00 H new ATOM 598 N CYS B 19 5.547 -6.513 -2.710 1.00 0.00 N ATOM 599 CA CYS B 19 4.934 -7.842 -2.404 1.00 0.00 C ATOM 600 C CYS B 19 5.642 -8.834 -3.348 1.00 0.00 C ATOM 601 O CYS B 19 6.071 -9.859 -2.859 1.00 0.00 O ATOM 602 CB CYS B 19 3.348 -7.803 -2.649 1.00 0.00 C ATOM 603 SG CYS B 19 2.390 -6.709 -1.575 1.00 0.00 S ATOM 0 H CYS B 19 5.116 -5.994 -3.475 1.00 0.00 H new ATOM 0 HA CYS B 19 5.062 -8.132 -1.361 1.00 0.00 H new ATOM 0 HB2 CYS B 19 3.170 -7.507 -3.683 1.00 0.00 H new ATOM 0 HB3 CYS B 19 2.961 -8.816 -2.536 1.00 0.00 H new ATOM 608 N GLY B 20 5.775 -8.515 -4.625 1.00 0.00 N ATOM 609 CA GLY B 20 6.440 -9.399 -5.634 1.00 0.00 C ATOM 610 C GLY B 20 5.640 -10.676 -5.963 1.00 0.00 C ATOM 611 O GLY B 20 5.469 -11.009 -7.120 1.00 0.00 O ATOM 0 H GLY B 20 5.432 -7.638 -5.016 1.00 0.00 H new ATOM 0 HA2 GLY B 20 6.597 -8.833 -6.552 1.00 0.00 H new ATOM 0 HA3 GLY B 20 7.424 -9.683 -5.262 1.00 0.00 H new ATOM 615 N GLU B 21 5.165 -11.347 -4.944 1.00 0.00 N ATOM 616 CA GLU B 21 4.383 -12.599 -5.112 1.00 0.00 C ATOM 617 C GLU B 21 3.544 -12.855 -3.850 1.00 0.00 C ATOM 618 O GLU B 21 3.433 -13.976 -3.393 1.00 0.00 O ATOM 619 CB GLU B 21 5.414 -13.759 -5.396 1.00 0.00 C ATOM 620 CG GLU B 21 6.768 -13.619 -4.601 1.00 0.00 C ATOM 621 CD GLU B 21 6.571 -13.655 -3.066 1.00 0.00 C ATOM 622 OE1 GLU B 21 6.045 -12.694 -2.533 1.00 0.00 O ATOM 623 OE2 GLU B 21 6.961 -14.663 -2.498 1.00 0.00 O ATOM 0 H GLU B 21 5.294 -11.064 -3.973 1.00 0.00 H new ATOM 0 HA GLU B 21 3.683 -12.534 -5.945 1.00 0.00 H new ATOM 0 HB2 GLU B 21 4.952 -14.713 -5.142 1.00 0.00 H new ATOM 0 HB3 GLU B 21 5.632 -13.785 -6.464 1.00 0.00 H new ATOM 0 HG2 GLU B 21 7.441 -14.424 -4.895 1.00 0.00 H new ATOM 0 HG3 GLU B 21 7.251 -12.682 -4.878 1.00 0.00 H new ATOM 630 N ARG B 22 2.967 -11.801 -3.322 1.00 0.00 N ATOM 631 CA ARG B 22 2.125 -11.931 -2.084 1.00 0.00 C ATOM 632 C ARG B 22 0.688 -11.449 -2.361 1.00 0.00 C ATOM 633 O ARG B 22 0.351 -10.314 -2.076 1.00 0.00 O ATOM 634 CB ARG B 22 2.809 -11.101 -0.950 1.00 0.00 C ATOM 635 CG ARG B 22 2.415 -11.623 0.451 1.00 0.00 C ATOM 636 CD ARG B 22 0.922 -11.350 0.781 1.00 0.00 C ATOM 637 NE ARG B 22 0.522 -11.950 2.100 1.00 0.00 N ATOM 638 CZ ARG B 22 1.325 -12.710 2.789 1.00 0.00 C ATOM 639 NH1 ARG B 22 1.469 -13.963 2.433 1.00 0.00 N ATOM 640 NH2 ARG B 22 1.954 -12.181 3.805 1.00 0.00 N ATOM 0 H ARG B 22 3.042 -10.854 -3.694 1.00 0.00 H new ATOM 0 HA ARG B 22 2.052 -12.973 -1.773 1.00 0.00 H new ATOM 0 HB2 ARG B 22 3.892 -11.148 -1.066 1.00 0.00 H new ATOM 0 HB3 ARG B 22 2.524 -10.053 -1.042 1.00 0.00 H new ATOM 0 HG2 ARG B 22 2.607 -12.695 0.505 1.00 0.00 H new ATOM 0 HG3 ARG B 22 3.044 -11.148 1.204 1.00 0.00 H new ATOM 0 HD2 ARG B 22 0.746 -10.275 0.803 1.00 0.00 H new ATOM 0 HD3 ARG B 22 0.294 -11.760 -0.010 1.00 0.00 H new ATOM 0 HE ARG B 22 -0.409 -11.756 2.468 1.00 0.00 H new ATOM 0 HH11 ARG B 22 0.957 -14.327 1.629 1.00 0.00 H new ATOM 0 HH12 ARG B 22 2.093 -14.574 2.960 1.00 0.00 H new ATOM 0 HH21 ARG B 22 1.809 -11.199 4.039 1.00 0.00 H new ATOM 0 HH22 ARG B 22 2.590 -12.750 4.364 1.00 0.00 H new ATOM 654 N GLY B 23 -0.095 -12.355 -2.908 1.00 0.00 N ATOM 655 CA GLY B 23 -1.539 -12.129 -3.275 1.00 0.00 C ATOM 656 C GLY B 23 -2.048 -10.664 -3.099 1.00 0.00 C ATOM 657 O GLY B 23 -2.742 -10.446 -2.126 1.00 0.00 O ATOM 0 H GLY B 23 0.229 -13.297 -3.127 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -1.684 -12.425 -4.314 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -2.159 -12.788 -2.667 1.00 0.00 H new ATOM 661 N PHE B 24 -1.741 -9.706 -3.963 1.00 0.00 N ATOM 662 CA PHE B 24 -2.222 -8.312 -3.782 1.00 0.00 C ATOM 663 C PHE B 24 -3.217 -8.054 -4.958 1.00 0.00 C ATOM 664 O PHE B 24 -3.308 -8.889 -5.838 1.00 0.00 O ATOM 665 CB PHE B 24 -0.984 -7.374 -3.863 1.00 0.00 C ATOM 666 CG PHE B 24 -0.378 -7.353 -5.279 1.00 0.00 C ATOM 667 CD1 PHE B 24 -0.960 -6.568 -6.262 1.00 0.00 C ATOM 668 CD2 PHE B 24 0.741 -8.103 -5.602 1.00 0.00 C ATOM 669 CE1 PHE B 24 -0.438 -6.529 -7.538 1.00 0.00 C ATOM 670 CE2 PHE B 24 1.264 -8.060 -6.884 1.00 0.00 C ATOM 671 CZ PHE B 24 0.675 -7.276 -7.852 1.00 0.00 C ATOM 0 H PHE B 24 -1.167 -9.850 -4.794 1.00 0.00 H new ATOM 0 HA PHE B 24 -2.719 -8.137 -2.828 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -1.274 -6.363 -3.576 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -0.230 -7.704 -3.149 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -1.834 -5.979 -6.026 1.00 0.00 H new ATOM 0 HD2 PHE B 24 1.208 -8.724 -4.851 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -0.903 -5.911 -8.292 1.00 0.00 H new ATOM 0 HE2 PHE B 24 2.139 -8.645 -7.126 1.00 0.00 H new ATOM 0 HZ PHE B 24 1.084 -7.248 -8.851 1.00 0.00 H new ATOM 681 N PHE B 25 -3.935 -6.950 -4.983 1.00 0.00 N ATOM 682 CA PHE B 25 -4.884 -6.647 -6.068 1.00 0.00 C ATOM 683 C PHE B 25 -4.596 -5.271 -6.703 1.00 0.00 C ATOM 684 O PHE B 25 -5.191 -4.281 -6.320 1.00 0.00 O ATOM 685 CB PHE B 25 -6.264 -6.702 -5.443 1.00 0.00 C ATOM 686 CG PHE B 25 -7.353 -6.443 -6.476 1.00 0.00 C ATOM 687 CD1 PHE B 25 -7.107 -6.275 -7.835 1.00 0.00 C ATOM 688 CD2 PHE B 25 -8.672 -6.379 -6.051 1.00 0.00 C ATOM 689 CE1 PHE B 25 -8.131 -6.058 -8.730 1.00 0.00 C ATOM 690 CE2 PHE B 25 -9.700 -6.161 -6.950 1.00 0.00 C ATOM 691 CZ PHE B 25 -9.425 -6.000 -8.290 1.00 0.00 C ATOM 0 H PHE B 25 -3.887 -6.231 -4.261 1.00 0.00 H new ATOM 0 HA PHE B 25 -4.796 -7.366 -6.883 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -6.419 -7.679 -4.986 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -6.334 -5.962 -4.646 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -6.090 -6.316 -8.196 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -8.899 -6.501 -5.002 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -7.912 -5.933 -9.780 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -10.721 -6.117 -6.601 1.00 0.00 H new ATOM 0 HZ PHE B 25 -10.228 -5.829 -8.991 1.00 0.00 H new ATOM 701 N TYR B 26 -3.691 -5.236 -7.647 1.00 0.00 N ATOM 702 CA TYR B 26 -3.360 -3.952 -8.316 1.00 0.00 C ATOM 703 C TYR B 26 -3.064 -4.335 -9.767 1.00 0.00 C ATOM 704 O TYR B 26 -1.981 -4.188 -10.298 1.00 0.00 O ATOM 705 CB TYR B 26 -2.118 -3.276 -7.660 1.00 0.00 C ATOM 706 CG TYR B 26 -2.152 -1.796 -8.106 1.00 0.00 C ATOM 707 CD1 TYR B 26 -3.022 -0.910 -7.491 1.00 0.00 C ATOM 708 CD2 TYR B 26 -1.349 -1.331 -9.132 1.00 0.00 C ATOM 709 CE1 TYR B 26 -3.087 0.410 -7.890 1.00 0.00 C ATOM 710 CE2 TYR B 26 -1.419 -0.011 -9.523 1.00 0.00 C ATOM 711 CZ TYR B 26 -2.288 0.868 -8.912 1.00 0.00 C ATOM 712 OH TYR B 26 -2.364 2.192 -9.303 1.00 0.00 O ATOM 0 H TYR B 26 -3.168 -6.046 -7.981 1.00 0.00 H new ATOM 0 HA TYR B 26 -4.173 -3.230 -8.234 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -2.158 -3.357 -6.574 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -1.195 -3.759 -7.982 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -3.657 -1.257 -6.689 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -0.665 -2.004 -9.628 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -3.769 1.087 -7.397 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -0.782 0.341 -10.321 1.00 0.00 H new ATOM 0 HH TYR B 26 -3.030 2.657 -8.755 1.00 0.00 H new ATOM 722 N THR B 27 -4.101 -4.854 -10.362 1.00 0.00 N ATOM 723 CA THR B 27 -4.069 -5.302 -11.790 1.00 0.00 C ATOM 724 C THR B 27 -5.011 -4.349 -12.578 1.00 0.00 C ATOM 725 O THR B 27 -6.075 -4.795 -12.961 1.00 0.00 O ATOM 726 CB THR B 27 -4.532 -6.791 -11.826 1.00 0.00 C ATOM 727 OG1 THR B 27 -4.725 -7.129 -13.189 1.00 0.00 O ATOM 728 CG2 THR B 27 -5.862 -7.121 -11.153 1.00 0.00 C ATOM 0 H THR B 27 -5.002 -4.992 -9.904 1.00 0.00 H new ATOM 0 HA THR B 27 -3.079 -5.257 -12.244 1.00 0.00 H new ATOM 0 HB THR B 27 -3.759 -7.335 -11.284 1.00 0.00 H new ATOM 0 HG1 THR B 27 -4.860 -8.096 -13.270 1.00 0.00 H new ATOM 0 HG21 THR B 27 -6.064 -8.188 -11.251 1.00 0.00 H new ATOM 0 HG22 THR B 27 -5.811 -6.856 -10.097 1.00 0.00 H new ATOM 0 HG23 THR B 27 -6.662 -6.555 -11.630 1.00 0.00 H new ATOM 736 N PRO B 28 -4.659 -3.084 -12.805 1.00 0.00 N ATOM 737 CA PRO B 28 -5.592 -2.136 -13.481 1.00 0.00 C ATOM 738 C PRO B 28 -6.048 -2.608 -14.875 1.00 0.00 C ATOM 739 O PRO B 28 -5.448 -2.288 -15.887 1.00 0.00 O ATOM 740 CB PRO B 28 -4.845 -0.796 -13.541 1.00 0.00 C ATOM 741 CG PRO B 28 -3.769 -0.895 -12.454 1.00 0.00 C ATOM 742 CD PRO B 28 -3.371 -2.381 -12.454 1.00 0.00 C ATOM 0 HA PRO B 28 -6.524 -2.057 -12.921 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -4.401 -0.635 -14.523 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -5.519 0.040 -13.355 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -2.916 -0.254 -12.678 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -4.154 -0.586 -11.482 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -2.588 -2.588 -13.183 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -2.992 -2.696 -11.482 1.00 0.00 H new ATOM 750 N LYS B 29 -7.113 -3.360 -14.855 1.00 0.00 N ATOM 751 CA LYS B 29 -7.720 -3.921 -16.103 1.00 0.00 C ATOM 752 C LYS B 29 -9.115 -3.307 -16.173 1.00 0.00 C ATOM 753 O LYS B 29 -10.114 -3.981 -16.347 1.00 0.00 O ATOM 754 CB LYS B 29 -7.789 -5.461 -15.983 1.00 0.00 C ATOM 755 CG LYS B 29 -6.356 -6.020 -15.911 1.00 0.00 C ATOM 756 CD LYS B 29 -6.351 -7.558 -15.773 1.00 0.00 C ATOM 757 CE LYS B 29 -6.601 -8.250 -17.128 1.00 0.00 C ATOM 758 NZ LYS B 29 -6.333 -9.713 -17.012 1.00 0.00 N ATOM 0 H LYS B 29 -7.605 -3.619 -14.000 1.00 0.00 H new ATOM 0 HA LYS B 29 -7.146 -3.694 -17.001 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -8.350 -5.745 -15.092 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -8.316 -5.883 -16.839 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -5.808 -5.733 -16.808 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -5.834 -5.577 -15.063 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -5.393 -7.884 -15.368 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -7.118 -7.863 -15.061 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -7.631 -8.085 -17.445 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -5.958 -7.814 -17.892 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -6.504 -10.171 -17.930 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -5.344 -9.863 -16.729 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -6.964 -10.126 -16.296 1.00 0.00 H new ATOM 772 N THR B 30 -9.103 -2.011 -16.028 1.00 0.00 N ATOM 773 CA THR B 30 -10.343 -1.196 -16.060 1.00 0.00 C ATOM 774 C THR B 30 -10.144 0.056 -16.927 1.00 0.00 C ATOM 775 O THR B 30 -11.032 0.508 -17.622 1.00 0.00 O ATOM 776 CB THR B 30 -10.676 -0.856 -14.584 1.00 0.00 C ATOM 777 OG1 THR B 30 -11.806 0.000 -14.645 1.00 0.00 O ATOM 778 CG2 THR B 30 -9.566 -0.014 -13.899 1.00 0.00 C ATOM 0 H THR B 30 -8.252 -1.468 -15.884 1.00 0.00 H new ATOM 0 HA THR B 30 -11.175 -1.734 -16.513 1.00 0.00 H new ATOM 0 HB THR B 30 -10.810 -1.785 -14.029 1.00 0.00 H new ATOM 0 HG1 THR B 30 -12.073 0.254 -13.737 1.00 0.00 H new ATOM 0 HG21 THR B 30 -9.852 0.195 -12.868 1.00 0.00 H new ATOM 0 HG22 THR B 30 -8.628 -0.570 -13.910 1.00 0.00 H new ATOM 0 HG23 THR B 30 -9.437 0.925 -14.437 1.00 0.00 H new TER 786 THR B 30