USER MOD reduce.3.24.130724 H: found=0, std=0, add=382, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 380 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 Single : A 1 GLY N :NH3+ -172:sc= 1.09 (180deg=1.03) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.757 K(o=-0.76,f=-1.3) USER MOD Single : A 9 SER OG : rot 49:sc= 0.551 USER MOD Single : A 12 SER OG : rot -0:sc= 0.338 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 ASN : amide:sc= -0.43 K(o=-0.43,f=-3.3!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN :FLIP amide:sc= 0.907 F(o=-0.03,f=0.91) USER MOD Single : B 1 PHE N :NH3+ -130:sc= 0.126 (180deg=0.00412) USER MOD Single : B 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 4 GLN : amide:sc= -0.978 X(o=-0.98,f=-0.93) USER MOD Single : B 5 HIS : no HE2:sc= -2.99! C(o=-3!,f=-5.1!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 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 140:sc= -0.855 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= -0.0218 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.474 2.386 -1.259 1.00 0.00 N ATOM 2 CA GLY A 1 -7.882 1.772 0.010 1.00 0.00 C ATOM 3 C GLY A 1 -6.410 1.869 0.256 1.00 0.00 C ATOM 4 O GLY A 1 -5.944 2.684 1.031 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.512 2.351 -1.210 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.164 3.375 -1.343 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.149 1.850 -2.089 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.386 2.230 0.861 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.145 0.714 0.015 1.00 0.00 H new ATOM 10 N LEU A 2 -5.638 1.041 -0.395 1.00 0.00 N ATOM 11 CA LEU A 2 -4.160 1.081 -0.195 1.00 0.00 C ATOM 12 C LEU A 2 -3.525 1.995 -1.245 1.00 0.00 C ATOM 13 O LEU A 2 -2.344 1.913 -1.520 1.00 0.00 O ATOM 14 CB LEU A 2 -3.588 -0.331 -0.339 1.00 0.00 C ATOM 15 CG LEU A 2 -4.069 -1.201 0.824 1.00 0.00 C ATOM 16 CD1 LEU A 2 -3.821 -0.472 2.145 1.00 0.00 C ATOM 17 CD2 LEU A 2 -5.565 -1.476 0.667 1.00 0.00 C ATOM 0 H LEU A 2 -5.967 0.338 -1.057 1.00 0.00 H new ATOM 0 HA LEU A 2 -3.940 1.465 0.801 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -3.903 -0.767 -1.287 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -2.499 -0.293 -0.352 1.00 0.00 H new ATOM 0 HG LEU A 2 -3.522 -2.144 0.823 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -4.164 -1.092 2.973 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -2.755 -0.274 2.257 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -4.367 0.471 2.148 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -5.910 -2.096 1.495 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -6.111 -0.532 0.668 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -5.743 -1.996 -0.274 1.00 0.00 H new ATOM 29 N LEU A 3 -4.297 2.867 -1.833 1.00 0.00 N ATOM 30 CA LEU A 3 -3.736 3.786 -2.864 1.00 0.00 C ATOM 31 C LEU A 3 -3.555 5.168 -2.249 1.00 0.00 C ATOM 32 O LEU A 3 -2.641 5.898 -2.579 1.00 0.00 O ATOM 33 CB LEU A 3 -4.698 3.879 -4.053 1.00 0.00 C ATOM 34 CG LEU A 3 -5.467 2.565 -4.199 1.00 0.00 C ATOM 35 CD1 LEU A 3 -6.648 2.764 -5.149 1.00 0.00 C ATOM 36 CD2 LEU A 3 -4.535 1.491 -4.765 1.00 0.00 C ATOM 0 H LEU A 3 -5.293 2.983 -1.644 1.00 0.00 H new ATOM 0 HA LEU A 3 -2.775 3.405 -3.210 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -5.394 4.704 -3.906 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -4.142 4.090 -4.967 1.00 0.00 H new ATOM 0 HG LEU A 3 -5.837 2.252 -3.223 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -7.194 1.826 -5.252 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -7.313 3.529 -4.748 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -6.280 3.078 -6.126 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -5.081 0.554 -4.870 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -4.166 1.807 -5.741 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -3.693 1.346 -4.088 1.00 0.00 H new ATOM 48 N GLU A 4 -4.420 5.525 -1.350 1.00 0.00 N ATOM 49 CA GLU A 4 -4.318 6.849 -0.692 1.00 0.00 C ATOM 50 C GLU A 4 -3.006 6.924 0.091 1.00 0.00 C ATOM 51 O GLU A 4 -2.553 7.987 0.463 1.00 0.00 O ATOM 52 CB GLU A 4 -5.496 7.017 0.265 1.00 0.00 C ATOM 53 CG GLU A 4 -5.740 5.703 1.010 1.00 0.00 C ATOM 54 CD GLU A 4 -7.091 5.121 0.589 1.00 0.00 C ATOM 55 OE1 GLU A 4 -7.205 4.709 -0.554 1.00 0.00 O ATOM 56 OE2 GLU A 4 -7.987 5.097 1.416 1.00 0.00 O ATOM 0 H GLU A 4 -5.203 4.949 -1.039 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.337 7.641 -1.441 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.290 7.817 0.976 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.390 7.305 -0.289 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -4.942 4.994 0.790 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.725 5.875 2.086 1.00 0.00 H new ATOM 63 N GLN A 5 -2.394 5.800 0.344 1.00 0.00 N ATOM 64 CA GLN A 5 -1.110 5.802 1.101 1.00 0.00 C ATOM 65 C GLN A 5 0.048 5.530 0.143 1.00 0.00 C ATOM 66 O GLN A 5 1.187 5.853 0.419 1.00 0.00 O ATOM 67 CB GLN A 5 -1.150 4.715 2.177 1.00 0.00 C ATOM 68 CG GLN A 5 -0.493 5.236 3.454 1.00 0.00 C ATOM 69 CD GLN A 5 -0.629 4.187 4.560 1.00 0.00 C ATOM 70 OE1 GLN A 5 -1.484 4.298 5.416 1.00 0.00 O ATOM 71 NE2 GLN A 5 0.183 3.166 4.576 1.00 0.00 N ATOM 0 H GLN A 5 -2.728 4.879 0.059 1.00 0.00 H new ATOM 0 HA GLN A 5 -0.969 6.774 1.573 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -2.181 4.426 2.378 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -0.631 3.823 1.827 1.00 0.00 H new ATOM 0 HG2 GLN A 5 0.559 5.454 3.272 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -0.963 6.170 3.763 1.00 0.00 H new ATOM 0 HE21 GLN A 5 0.900 3.074 3.857 1.00 0.00 H new ATOM 0 HE22 GLN A 5 0.100 2.460 5.308 1.00 0.00 H new ATOM 80 N CYS A 6 -0.234 4.939 -0.983 1.00 0.00 N ATOM 81 CA CYS A 6 0.848 4.645 -1.965 1.00 0.00 C ATOM 82 C CYS A 6 0.790 5.662 -3.106 1.00 0.00 C ATOM 83 O CYS A 6 1.786 5.963 -3.732 1.00 0.00 O ATOM 84 CB CYS A 6 0.658 3.241 -2.533 1.00 0.00 C ATOM 85 SG CYS A 6 1.277 2.016 -1.352 1.00 0.00 S ATOM 0 H CYS A 6 -1.169 4.646 -1.267 1.00 0.00 H new ATOM 0 HA CYS A 6 1.815 4.708 -1.465 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -0.397 3.061 -2.739 1.00 0.00 H new ATOM 0 HB3 CYS A 6 1.188 3.147 -3.481 1.00 0.00 H new ATOM 90 N CYS A 7 -0.370 6.193 -3.378 1.00 0.00 N ATOM 91 CA CYS A 7 -0.495 7.195 -4.474 1.00 0.00 C ATOM 92 C CYS A 7 -0.253 8.588 -3.899 1.00 0.00 C ATOM 93 O CYS A 7 0.336 9.442 -4.532 1.00 0.00 O ATOM 94 CB CYS A 7 -1.902 7.124 -5.073 1.00 0.00 C ATOM 95 SG CYS A 7 -1.824 7.485 -6.845 1.00 0.00 S ATOM 0 H CYS A 7 -1.238 5.976 -2.888 1.00 0.00 H new ATOM 0 HA CYS A 7 0.237 6.985 -5.254 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.328 6.134 -4.911 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.557 7.838 -4.574 1.00 0.00 H new ATOM 100 N HIS A 8 -0.701 8.821 -2.696 1.00 0.00 N ATOM 101 CA HIS A 8 -0.494 10.154 -2.068 1.00 0.00 C ATOM 102 C HIS A 8 0.873 10.180 -1.380 1.00 0.00 C ATOM 103 O HIS A 8 1.182 11.078 -0.624 1.00 0.00 O ATOM 104 CB HIS A 8 -1.591 10.403 -1.032 1.00 0.00 C ATOM 105 CG HIS A 8 -1.399 11.763 -0.421 1.00 0.00 C ATOM 106 ND1 HIS A 8 -0.962 12.834 -1.171 1.00 0.00 N ATOM 107 CD2 HIS A 8 -1.581 12.208 0.860 1.00 0.00 C ATOM 108 CE1 HIS A 8 -0.890 13.883 -0.338 1.00 0.00 C ATOM 109 NE2 HIS A 8 -1.258 13.547 0.915 1.00 0.00 N ATOM 0 H HIS A 8 -1.202 8.144 -2.121 1.00 0.00 H new ATOM 0 HA HIS A 8 -0.534 10.930 -2.832 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -2.572 10.338 -1.502 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -1.557 9.636 -0.258 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -1.922 11.609 1.691 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -0.576 14.873 -0.634 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -1.291 14.156 1.732 1.00 0.00 H new ATOM 117 N SER A 9 1.689 9.194 -1.635 1.00 0.00 N ATOM 118 CA SER A 9 3.033 9.152 -0.997 1.00 0.00 C ATOM 119 C SER A 9 3.670 7.786 -1.260 1.00 0.00 C ATOM 120 O SER A 9 3.054 6.906 -1.829 1.00 0.00 O ATOM 121 CB SER A 9 2.890 9.366 0.510 1.00 0.00 C ATOM 122 OG SER A 9 1.776 8.622 0.986 1.00 0.00 O ATOM 0 H SER A 9 1.481 8.415 -2.259 1.00 0.00 H new ATOM 0 HA SER A 9 3.662 9.938 -1.415 1.00 0.00 H new ATOM 0 HB2 SER A 9 3.799 9.050 1.022 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.754 10.425 0.727 1.00 0.00 H new ATOM 0 HG SER A 9 1.830 7.702 0.652 1.00 0.00 H new ATOM 128 N ILE A 10 4.894 7.596 -0.851 1.00 0.00 N ATOM 129 CA ILE A 10 5.555 6.281 -1.082 1.00 0.00 C ATOM 130 C ILE A 10 5.163 5.314 0.037 1.00 0.00 C ATOM 131 O ILE A 10 4.717 5.718 1.093 1.00 0.00 O ATOM 132 CB ILE A 10 7.076 6.468 -1.094 1.00 0.00 C ATOM 133 CG1 ILE A 10 7.493 7.120 -2.414 1.00 0.00 C ATOM 134 CG2 ILE A 10 7.764 5.107 -0.965 1.00 0.00 C ATOM 135 CD1 ILE A 10 6.999 8.566 -2.450 1.00 0.00 C ATOM 0 H ILE A 10 5.463 8.292 -0.369 1.00 0.00 H new ATOM 0 HA ILE A 10 5.235 5.874 -2.041 1.00 0.00 H new ATOM 0 HB ILE A 10 7.369 7.103 -0.258 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.578 7.093 -2.518 1.00 0.00 H new ATOM 0 HG13 ILE A 10 7.078 6.562 -3.254 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.845 5.244 -0.974 1.00 0.00 H new ATOM 0 HG22 ILE A 10 7.465 4.636 -0.029 1.00 0.00 H new ATOM 0 HG23 ILE A 10 7.472 4.471 -1.801 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.297 9.029 -3.391 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.912 8.581 -2.366 1.00 0.00 H new ATOM 0 HD13 ILE A 10 7.435 9.120 -1.619 1.00 0.00 H new ATOM 147 N CYS A 11 5.322 4.040 -0.188 1.00 0.00 N ATOM 148 CA CYS A 11 4.957 3.044 0.860 1.00 0.00 C ATOM 149 C CYS A 11 5.965 1.893 0.842 1.00 0.00 C ATOM 150 O CYS A 11 6.514 1.552 -0.187 1.00 0.00 O ATOM 151 CB CYS A 11 3.550 2.499 0.588 1.00 0.00 C ATOM 152 SG CYS A 11 3.252 2.420 -1.198 1.00 0.00 S ATOM 0 H CYS A 11 5.689 3.644 -1.053 1.00 0.00 H new ATOM 0 HA CYS A 11 4.972 3.526 1.838 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.444 1.507 1.027 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.805 3.139 1.062 1.00 0.00 H new ATOM 157 N SER A 12 6.218 1.295 1.975 1.00 0.00 N ATOM 158 CA SER A 12 7.193 0.170 2.021 1.00 0.00 C ATOM 159 C SER A 12 6.496 -1.132 1.621 1.00 0.00 C ATOM 160 O SER A 12 5.501 -1.518 2.201 1.00 0.00 O ATOM 161 CB SER A 12 7.748 0.032 3.440 1.00 0.00 C ATOM 162 OG SER A 12 6.735 -0.482 4.293 1.00 0.00 O ATOM 0 H SER A 12 5.792 1.537 2.869 1.00 0.00 H new ATOM 0 HA SER A 12 8.009 0.373 1.327 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.612 -0.632 3.442 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.090 1.001 3.805 1.00 0.00 H new ATOM 0 HG SER A 12 5.915 -0.627 3.776 1.00 0.00 H new ATOM 168 N LEU A 13 7.013 -1.812 0.633 1.00 0.00 N ATOM 169 CA LEU A 13 6.382 -3.090 0.199 1.00 0.00 C ATOM 170 C LEU A 13 6.205 -4.004 1.412 1.00 0.00 C ATOM 171 O LEU A 13 5.235 -4.727 1.523 1.00 0.00 O ATOM 172 CB LEU A 13 7.282 -3.776 -0.831 1.00 0.00 C ATOM 173 CG LEU A 13 6.593 -3.773 -2.195 1.00 0.00 C ATOM 174 CD1 LEU A 13 6.367 -2.330 -2.651 1.00 0.00 C ATOM 175 CD2 LEU A 13 7.477 -4.497 -3.213 1.00 0.00 C ATOM 0 H LEU A 13 7.844 -1.538 0.109 1.00 0.00 H new ATOM 0 HA LEU A 13 5.409 -2.886 -0.248 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.239 -3.259 -0.895 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.493 -4.799 -0.521 1.00 0.00 H new ATOM 0 HG LEU A 13 5.633 -4.283 -2.118 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.876 -2.329 -3.624 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.738 -1.814 -1.926 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.326 -1.818 -2.728 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.987 -4.496 -4.187 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.437 -3.986 -3.289 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.638 -5.525 -2.889 1.00 0.00 H new ATOM 187 N TYR A 14 7.136 -3.975 2.325 1.00 0.00 N ATOM 188 CA TYR A 14 7.025 -4.840 3.532 1.00 0.00 C ATOM 189 C TYR A 14 5.616 -4.731 4.106 1.00 0.00 C ATOM 190 O TYR A 14 4.883 -5.698 4.179 1.00 0.00 O ATOM 191 CB TYR A 14 8.040 -4.382 4.580 1.00 0.00 C ATOM 192 CG TYR A 14 7.959 -5.283 5.790 1.00 0.00 C ATOM 193 CD1 TYR A 14 8.725 -6.455 5.843 1.00 0.00 C ATOM 194 CD2 TYR A 14 7.119 -4.945 6.859 1.00 0.00 C ATOM 195 CE1 TYR A 14 8.651 -7.289 6.966 1.00 0.00 C ATOM 196 CE2 TYR A 14 7.043 -5.780 7.981 1.00 0.00 C ATOM 197 CZ TYR A 14 7.810 -6.951 8.036 1.00 0.00 C ATOM 198 OH TYR A 14 7.737 -7.773 9.142 1.00 0.00 O ATOM 0 H TYR A 14 7.970 -3.389 2.287 1.00 0.00 H new ATOM 0 HA TYR A 14 7.227 -5.876 3.259 1.00 0.00 H new ATOM 0 HB2 TYR A 14 9.046 -4.407 4.162 1.00 0.00 H new ATOM 0 HB3 TYR A 14 7.840 -3.350 4.868 1.00 0.00 H new ATOM 0 HD1 TYR A 14 9.372 -6.715 5.018 1.00 0.00 H new ATOM 0 HD2 TYR A 14 6.530 -4.041 6.818 1.00 0.00 H new ATOM 0 HE1 TYR A 14 9.242 -8.192 7.008 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.393 -5.521 8.804 1.00 0.00 H new ATOM 0 HH TYR A 14 7.109 -7.393 9.791 1.00 0.00 H new ATOM 208 N GLN A 15 5.236 -3.558 4.510 1.00 0.00 N ATOM 209 CA GLN A 15 3.872 -3.368 5.082 1.00 0.00 C ATOM 210 C GLN A 15 2.826 -3.718 4.025 1.00 0.00 C ATOM 211 O GLN A 15 1.700 -4.053 4.335 1.00 0.00 O ATOM 212 CB GLN A 15 3.698 -1.911 5.514 1.00 0.00 C ATOM 213 CG GLN A 15 3.655 -1.832 7.041 1.00 0.00 C ATOM 214 CD GLN A 15 3.829 -0.378 7.481 1.00 0.00 C ATOM 215 OE1 GLN A 15 2.861 0.319 7.714 1.00 0.00 O ATOM 216 NE2 GLN A 15 5.032 0.113 7.608 1.00 0.00 N ATOM 0 H GLN A 15 5.810 -2.716 4.471 1.00 0.00 H new ATOM 0 HA GLN A 15 3.745 -4.018 5.947 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.520 -1.307 5.131 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.779 -1.503 5.092 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.707 -2.224 7.410 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.444 -2.450 7.470 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.845 -0.472 7.413 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.159 1.081 7.903 1.00 0.00 H new ATOM 225 N LEU A 16 3.196 -3.654 2.777 1.00 0.00 N ATOM 226 CA LEU A 16 2.232 -3.991 1.695 1.00 0.00 C ATOM 227 C LEU A 16 2.073 -5.509 1.640 1.00 0.00 C ATOM 228 O LEU A 16 1.081 -6.027 1.168 1.00 0.00 O ATOM 229 CB LEU A 16 2.769 -3.476 0.355 1.00 0.00 C ATOM 230 CG LEU A 16 2.013 -4.142 -0.798 1.00 0.00 C ATOM 231 CD1 LEU A 16 1.630 -3.088 -1.836 1.00 0.00 C ATOM 232 CD2 LEU A 16 2.912 -5.195 -1.451 1.00 0.00 C ATOM 0 H LEU A 16 4.126 -3.382 2.460 1.00 0.00 H new ATOM 0 HA LEU A 16 1.267 -3.525 1.893 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.655 -2.393 0.299 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.835 -3.689 0.274 1.00 0.00 H new ATOM 0 HG LEU A 16 1.110 -4.617 -0.414 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.092 -3.564 -2.656 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.993 -2.335 -1.372 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.532 -2.612 -2.221 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.377 -5.671 -2.272 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.813 -4.717 -1.834 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.187 -5.948 -0.712 1.00 0.00 H new ATOM 244 N GLU A 17 3.049 -6.223 2.127 1.00 0.00 N ATOM 245 CA GLU A 17 2.967 -7.706 2.114 1.00 0.00 C ATOM 246 C GLU A 17 1.786 -8.155 2.976 1.00 0.00 C ATOM 247 O GLU A 17 1.276 -9.247 2.827 1.00 0.00 O ATOM 248 CB GLU A 17 4.265 -8.289 2.680 1.00 0.00 C ATOM 249 CG GLU A 17 4.436 -9.727 2.190 1.00 0.00 C ATOM 250 CD GLU A 17 5.925 -10.082 2.167 1.00 0.00 C ATOM 251 OE1 GLU A 17 6.714 -9.222 1.812 1.00 0.00 O ATOM 252 OE2 GLU A 17 6.250 -11.208 2.505 1.00 0.00 O ATOM 0 H GLU A 17 3.902 -5.840 2.534 1.00 0.00 H new ATOM 0 HA GLU A 17 2.825 -8.058 1.092 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.115 -7.683 2.366 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.242 -8.265 3.769 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.897 -10.412 2.844 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.009 -9.836 1.193 1.00 0.00 H new ATOM 259 N ASN A 18 1.349 -7.318 3.877 1.00 0.00 N ATOM 260 CA ASN A 18 0.202 -7.695 4.751 1.00 0.00 C ATOM 261 C ASN A 18 -1.106 -7.583 3.964 1.00 0.00 C ATOM 262 O ASN A 18 -2.174 -7.846 4.480 1.00 0.00 O ATOM 263 CB ASN A 18 0.152 -6.756 5.958 1.00 0.00 C ATOM 264 CG ASN A 18 0.046 -7.580 7.242 1.00 0.00 C ATOM 265 OD1 ASN A 18 -0.155 -8.777 7.195 1.00 0.00 O ATOM 266 ND2 ASN A 18 0.175 -6.985 8.396 1.00 0.00 N ATOM 0 H ASN A 18 1.737 -6.390 4.046 1.00 0.00 H new ATOM 0 HA ASN A 18 0.331 -8.722 5.092 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.047 -6.134 5.985 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.701 -6.083 5.874 1.00 0.00 H new ATOM 0 HD21 ASN A 18 0.107 -7.525 9.259 1.00 0.00 H new ATOM 0 HD22 ASN A 18 0.344 -5.980 8.435 1.00 0.00 H new ATOM 273 N TYR A 19 -1.036 -7.192 2.721 1.00 0.00 N ATOM 274 CA TYR A 19 -2.281 -7.066 1.912 1.00 0.00 C ATOM 275 C TYR A 19 -2.398 -8.259 0.960 1.00 0.00 C ATOM 276 O TYR A 19 -3.248 -8.290 0.093 1.00 0.00 O ATOM 277 CB TYR A 19 -2.232 -5.763 1.108 1.00 0.00 C ATOM 278 CG TYR A 19 -2.081 -4.589 2.050 1.00 0.00 C ATOM 279 CD1 TYR A 19 -2.533 -4.688 3.375 1.00 0.00 C ATOM 280 CD2 TYR A 19 -1.490 -3.401 1.600 1.00 0.00 C ATOM 281 CE1 TYR A 19 -2.392 -3.600 4.246 1.00 0.00 C ATOM 282 CE2 TYR A 19 -1.349 -2.314 2.472 1.00 0.00 C ATOM 283 CZ TYR A 19 -1.801 -2.412 3.794 1.00 0.00 C ATOM 284 OH TYR A 19 -1.662 -1.341 4.654 1.00 0.00 O ATOM 0 H TYR A 19 -0.173 -6.955 2.232 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.147 -7.051 2.573 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.398 -5.788 0.406 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.142 -5.654 0.518 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -2.989 -5.603 3.723 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.143 -3.323 0.580 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.739 -3.676 5.266 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.891 -1.400 2.125 1.00 0.00 H new ATOM 0 HH TYR A 19 -1.232 -0.597 4.183 1.00 0.00 H new ATOM 294 N CYS A 20 -1.555 -9.244 1.118 1.00 0.00 N ATOM 295 CA CYS A 20 -1.625 -10.436 0.225 1.00 0.00 C ATOM 296 C CYS A 20 -2.234 -11.614 0.990 1.00 0.00 C ATOM 297 O CYS A 20 -1.832 -11.923 2.094 1.00 0.00 O ATOM 298 CB CYS A 20 -0.217 -10.802 -0.254 1.00 0.00 C ATOM 299 SG CYS A 20 0.732 -11.509 1.118 1.00 0.00 S ATOM 0 H CYS A 20 -0.822 -9.275 1.826 1.00 0.00 H new ATOM 0 HA CYS A 20 -2.249 -10.206 -0.638 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -0.276 -11.517 -1.074 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.288 -9.916 -0.639 1.00 0.00 H new ATOM 304 N ASN A 21 -3.200 -12.276 0.413 1.00 0.00 N ATOM 305 CA ASN A 21 -3.831 -13.433 1.109 1.00 0.00 C ATOM 306 C ASN A 21 -2.746 -14.421 1.542 1.00 0.00 C ATOM 307 O ASN A 21 -1.583 -14.127 1.323 1.00 0.00 O ATOM 308 CB ASN A 21 -4.805 -14.131 0.157 1.00 0.00 C ATOM 309 CG ASN A 21 -6.001 -14.664 0.949 1.00 0.00 C ATOM 310 OD1 ASN A 21 -7.206 -14.509 0.472 1.00 0.00 O flip ATOM 311 ND2 ASN A 21 -5.837 -15.227 2.012 1.00 0.00 N flip ATOM 312 OXT ASN A 21 -3.097 -15.455 2.086 1.00 0.00 O ATOM 0 H ASN A 21 -3.579 -12.065 -0.510 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.371 -13.078 1.987 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.144 -13.433 -0.609 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.303 -14.950 -0.358 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.895 -15.348 2.385 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.641 -15.579 2.532 1.00 0.00 H new TER 319 ASN A 21 ATOM 320 N PHE B 1 12.948 -0.770 1.334 1.00 0.00 N ATOM 321 CA PHE B 1 12.906 -0.445 -0.119 1.00 0.00 C ATOM 322 C PHE B 1 13.177 1.047 -0.315 1.00 0.00 C ATOM 323 O PHE B 1 13.590 1.738 0.597 1.00 0.00 O ATOM 324 CB PHE B 1 11.526 -0.793 -0.681 1.00 0.00 C ATOM 325 CG PHE B 1 11.536 -2.213 -1.193 1.00 0.00 C ATOM 326 CD1 PHE B 1 11.349 -3.280 -0.304 1.00 0.00 C ATOM 327 CD2 PHE B 1 11.734 -2.465 -2.557 1.00 0.00 C ATOM 328 CE1 PHE B 1 11.359 -4.599 -0.779 1.00 0.00 C ATOM 329 CE2 PHE B 1 11.744 -3.783 -3.033 1.00 0.00 C ATOM 330 CZ PHE B 1 11.556 -4.850 -2.144 1.00 0.00 C ATOM 0 H1 PHE B 1 13.569 -1.590 1.489 1.00 0.00 H new ATOM 0 H2 PHE B 1 13.316 0.047 1.862 1.00 0.00 H new ATOM 0 H3 PHE B 1 11.989 -0.995 1.667 1.00 0.00 H new ATOM 0 HA PHE B 1 13.666 -1.024 -0.643 1.00 0.00 H new ATOM 0 HB2 PHE B 1 10.767 -0.679 0.093 1.00 0.00 H new ATOM 0 HB3 PHE B 1 11.266 -0.106 -1.486 1.00 0.00 H new ATOM 0 HD1 PHE B 1 11.197 -3.086 0.748 1.00 0.00 H new ATOM 0 HD2 PHE B 1 11.879 -1.643 -3.242 1.00 0.00 H new ATOM 0 HE1 PHE B 1 11.215 -5.421 -0.094 1.00 0.00 H new ATOM 0 HE2 PHE B 1 11.897 -3.976 -4.085 1.00 0.00 H new ATOM 0 HZ PHE B 1 11.563 -5.866 -2.511 1.00 0.00 H new ATOM 342 N VAL B 2 12.949 1.554 -1.496 1.00 0.00 N ATOM 343 CA VAL B 2 13.194 3.002 -1.745 1.00 0.00 C ATOM 344 C VAL B 2 11.977 3.616 -2.439 1.00 0.00 C ATOM 345 O VAL B 2 10.855 3.200 -2.228 1.00 0.00 O ATOM 346 CB VAL B 2 14.428 3.161 -2.638 1.00 0.00 C ATOM 347 CG1 VAL B 2 15.597 2.384 -2.032 1.00 0.00 C ATOM 348 CG2 VAL B 2 14.120 2.615 -4.034 1.00 0.00 C ATOM 0 H VAL B 2 12.604 1.028 -2.299 1.00 0.00 H new ATOM 0 HA VAL B 2 13.362 3.511 -0.796 1.00 0.00 H new ATOM 0 HB VAL B 2 14.692 4.216 -2.711 1.00 0.00 H new ATOM 0 HG11 VAL B 2 16.476 2.496 -2.666 1.00 0.00 H new ATOM 0 HG12 VAL B 2 15.815 2.772 -1.037 1.00 0.00 H new ATOM 0 HG13 VAL B 2 15.334 1.329 -1.960 1.00 0.00 H new ATOM 0 HG21 VAL B 2 14.998 2.728 -4.671 1.00 0.00 H new ATOM 0 HG22 VAL B 2 13.857 1.560 -3.962 1.00 0.00 H new ATOM 0 HG23 VAL B 2 13.286 3.168 -4.465 1.00 0.00 H new ATOM 358 N ASN B 3 12.186 4.605 -3.266 1.00 0.00 N ATOM 359 CA ASN B 3 11.039 5.244 -3.970 1.00 0.00 C ATOM 360 C ASN B 3 10.106 4.158 -4.511 1.00 0.00 C ATOM 361 O ASN B 3 10.429 3.463 -5.453 1.00 0.00 O ATOM 362 CB ASN B 3 11.561 6.095 -5.130 1.00 0.00 C ATOM 363 CG ASN B 3 11.068 7.535 -4.970 1.00 0.00 C ATOM 364 OD1 ASN B 3 10.181 7.968 -5.678 1.00 0.00 O ATOM 365 ND2 ASN B 3 11.610 8.301 -4.062 1.00 0.00 N ATOM 0 H ASN B 3 13.102 4.997 -3.484 1.00 0.00 H new ATOM 0 HA ASN B 3 10.492 5.879 -3.273 1.00 0.00 H new ATOM 0 HB2 ASN B 3 12.651 6.073 -5.150 1.00 0.00 H new ATOM 0 HB3 ASN B 3 11.217 5.685 -6.079 1.00 0.00 H new ATOM 0 HD21 ASN B 3 11.288 9.262 -3.948 1.00 0.00 H new ATOM 0 HD22 ASN B 3 12.355 7.938 -3.467 1.00 0.00 H new ATOM 372 N GLN B 4 8.952 4.004 -3.922 1.00 0.00 N ATOM 373 CA GLN B 4 8.005 2.961 -4.404 1.00 0.00 C ATOM 374 C GLN B 4 6.593 3.547 -4.486 1.00 0.00 C ATOM 375 O GLN B 4 5.803 3.419 -3.573 1.00 0.00 O ATOM 376 CB GLN B 4 8.011 1.780 -3.432 1.00 0.00 C ATOM 377 CG GLN B 4 7.872 0.474 -4.216 1.00 0.00 C ATOM 378 CD GLN B 4 9.202 -0.282 -4.187 1.00 0.00 C ATOM 379 OE1 GLN B 4 9.222 -1.497 -4.197 1.00 0.00 O ATOM 380 NE2 GLN B 4 10.320 0.389 -4.153 1.00 0.00 N ATOM 0 H GLN B 4 8.625 4.555 -3.129 1.00 0.00 H new ATOM 0 HA GLN B 4 8.313 2.621 -5.393 1.00 0.00 H new ATOM 0 HB2 GLN B 4 8.936 1.774 -2.856 1.00 0.00 H new ATOM 0 HB3 GLN B 4 7.192 1.878 -2.719 1.00 0.00 H new ATOM 0 HG2 GLN B 4 7.083 -0.140 -3.783 1.00 0.00 H new ATOM 0 HG3 GLN B 4 7.583 0.684 -5.246 1.00 0.00 H new ATOM 0 HE21 GLN B 4 10.303 1.409 -4.145 1.00 0.00 H new ATOM 0 HE22 GLN B 4 11.212 -0.106 -4.135 1.00 0.00 H new ATOM 389 N HIS B 5 6.272 4.189 -5.576 1.00 0.00 N ATOM 390 CA HIS B 5 4.912 4.783 -5.719 1.00 0.00 C ATOM 391 C HIS B 5 3.929 3.704 -6.180 1.00 0.00 C ATOM 392 O HIS B 5 4.009 3.213 -7.287 1.00 0.00 O ATOM 393 CB HIS B 5 4.956 5.909 -6.752 1.00 0.00 C ATOM 394 CG HIS B 5 5.188 7.220 -6.054 1.00 0.00 C ATOM 395 ND1 HIS B 5 4.149 7.925 -5.486 1.00 0.00 N ATOM 396 CD2 HIS B 5 6.335 7.937 -5.842 1.00 0.00 C ATOM 397 CE1 HIS B 5 4.683 9.033 -4.951 1.00 0.00 C ATOM 398 NE2 HIS B 5 6.017 9.083 -5.144 1.00 0.00 N ATOM 0 H HIS B 5 6.892 4.328 -6.374 1.00 0.00 H new ATOM 0 HA HIS B 5 4.586 5.183 -4.759 1.00 0.00 H new ATOM 0 HB2 HIS B 5 5.751 5.724 -7.474 1.00 0.00 H new ATOM 0 HB3 HIS B 5 4.020 5.942 -7.310 1.00 0.00 H new ATOM 0 HD1 HIS B 5 3.165 7.656 -5.475 1.00 0.00 H new ATOM 0 HD2 HIS B 5 7.325 7.652 -6.167 1.00 0.00 H new ATOM 0 HE1 HIS B 5 4.116 9.791 -4.431 1.00 0.00 H new ATOM 406 N LEU B 6 3.002 3.332 -5.340 1.00 0.00 N ATOM 407 CA LEU B 6 2.017 2.288 -5.732 1.00 0.00 C ATOM 408 C LEU B 6 0.661 2.946 -5.999 1.00 0.00 C ATOM 409 O LEU B 6 0.115 3.630 -5.157 1.00 0.00 O ATOM 410 CB LEU B 6 1.885 1.273 -4.594 1.00 0.00 C ATOM 411 CG LEU B 6 2.757 0.053 -4.878 1.00 0.00 C ATOM 412 CD1 LEU B 6 4.136 0.514 -5.347 1.00 0.00 C ATOM 413 CD2 LEU B 6 2.907 -0.762 -3.594 1.00 0.00 C ATOM 0 H LEU B 6 2.885 3.707 -4.399 1.00 0.00 H new ATOM 0 HA LEU B 6 2.354 1.780 -6.636 1.00 0.00 H new ATOM 0 HB2 LEU B 6 2.183 1.731 -3.651 1.00 0.00 H new ATOM 0 HB3 LEU B 6 0.844 0.969 -4.486 1.00 0.00 H new ATOM 0 HG LEU B 6 2.294 -0.559 -5.653 1.00 0.00 H new ATOM 0 HD11 LEU B 6 4.761 -0.356 -5.550 1.00 0.00 H new ATOM 0 HD12 LEU B 6 4.032 1.107 -6.256 1.00 0.00 H new ATOM 0 HD13 LEU B 6 4.601 1.121 -4.570 1.00 0.00 H new ATOM 0 HD21 LEU B 6 3.529 -1.636 -3.788 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.375 -0.147 -2.825 1.00 0.00 H new ATOM 0 HD23 LEU B 6 1.924 -1.085 -3.251 1.00 0.00 H new ATOM 425 N CYS B 7 0.114 2.756 -7.168 1.00 0.00 N ATOM 426 CA CYS B 7 -1.202 3.384 -7.477 1.00 0.00 C ATOM 427 C CYS B 7 -1.927 2.576 -8.557 1.00 0.00 C ATOM 428 O CYS B 7 -1.681 2.734 -9.735 1.00 0.00 O ATOM 429 CB CYS B 7 -0.976 4.811 -7.978 1.00 0.00 C ATOM 430 SG CYS B 7 -2.478 5.787 -7.722 1.00 0.00 S ATOM 0 H CYS B 7 0.518 2.196 -7.919 1.00 0.00 H new ATOM 0 HA CYS B 7 -1.812 3.401 -6.574 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -0.140 5.266 -7.447 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -0.714 4.799 -9.036 1.00 0.00 H new ATOM 435 N GLY B 8 -2.827 1.715 -8.164 1.00 0.00 N ATOM 436 CA GLY B 8 -3.572 0.906 -9.170 1.00 0.00 C ATOM 437 C GLY B 8 -3.019 -0.519 -9.201 1.00 0.00 C ATOM 438 O GLY B 8 -2.713 -1.099 -8.177 1.00 0.00 O ATOM 0 H GLY B 8 -3.078 1.537 -7.191 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -4.633 0.889 -8.922 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -3.482 1.362 -10.156 1.00 0.00 H new ATOM 442 N SER B 9 -2.892 -1.088 -10.368 1.00 0.00 N ATOM 443 CA SER B 9 -2.362 -2.476 -10.469 1.00 0.00 C ATOM 444 C SER B 9 -0.965 -2.536 -9.854 1.00 0.00 C ATOM 445 O SER B 9 -0.454 -3.597 -9.555 1.00 0.00 O ATOM 446 CB SER B 9 -2.290 -2.889 -11.940 1.00 0.00 C ATOM 447 OG SER B 9 -3.367 -3.770 -12.235 1.00 0.00 O ATOM 0 H SER B 9 -3.133 -0.650 -11.257 1.00 0.00 H new ATOM 0 HA SER B 9 -3.024 -3.156 -9.932 1.00 0.00 H new ATOM 0 HB2 SER B 9 -2.340 -2.008 -12.580 1.00 0.00 H new ATOM 0 HB3 SER B 9 -1.338 -3.378 -12.146 1.00 0.00 H new ATOM 0 HG SER B 9 -3.324 -4.035 -13.178 1.00 0.00 H new ATOM 453 N ASP B 10 -0.346 -1.406 -9.650 1.00 0.00 N ATOM 454 CA ASP B 10 1.009 -1.405 -9.045 1.00 0.00 C ATOM 455 C ASP B 10 0.930 -2.098 -7.691 1.00 0.00 C ATOM 456 O ASP B 10 1.895 -2.647 -7.199 1.00 0.00 O ATOM 457 CB ASP B 10 1.484 0.036 -8.859 1.00 0.00 C ATOM 458 CG ASP B 10 1.005 0.897 -10.030 1.00 0.00 C ATOM 459 OD1 ASP B 10 1.118 0.443 -11.158 1.00 0.00 O ATOM 460 OD2 ASP B 10 0.533 1.993 -9.781 1.00 0.00 O ATOM 0 H ASP B 10 -0.722 -0.486 -9.877 1.00 0.00 H new ATOM 0 HA ASP B 10 1.712 -1.928 -9.693 1.00 0.00 H new ATOM 0 HB2 ASP B 10 1.100 0.437 -7.921 1.00 0.00 H new ATOM 0 HB3 ASP B 10 2.572 0.064 -8.796 1.00 0.00 H new ATOM 465 N LEU B 11 -0.228 -2.084 -7.094 1.00 0.00 N ATOM 466 CA LEU B 11 -0.400 -2.746 -5.780 1.00 0.00 C ATOM 467 C LEU B 11 -0.325 -4.258 -5.976 1.00 0.00 C ATOM 468 O LEU B 11 0.458 -4.939 -5.346 1.00 0.00 O ATOM 469 CB LEU B 11 -1.774 -2.377 -5.218 1.00 0.00 C ATOM 470 CG LEU B 11 -1.698 -1.072 -4.422 1.00 0.00 C ATOM 471 CD1 LEU B 11 -2.995 -0.886 -3.638 1.00 0.00 C ATOM 472 CD2 LEU B 11 -0.529 -1.125 -3.441 1.00 0.00 C ATOM 0 H LEU B 11 -1.067 -1.638 -7.466 1.00 0.00 H new ATOM 0 HA LEU B 11 0.380 -2.424 -5.090 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -2.490 -2.271 -6.033 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -2.138 -3.180 -4.577 1.00 0.00 H new ATOM 0 HG LEU B 11 -1.553 -0.241 -5.112 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -2.946 0.042 -3.069 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -3.836 -0.844 -4.330 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -3.130 -1.724 -2.954 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -0.483 -0.192 -2.879 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -0.670 -1.957 -2.751 1.00 0.00 H new ATOM 0 HD23 LEU B 11 0.402 -1.263 -3.991 1.00 0.00 H new ATOM 484 N VAL B 12 -1.132 -4.786 -6.856 1.00 0.00 N ATOM 485 CA VAL B 12 -1.101 -6.252 -7.100 1.00 0.00 C ATOM 486 C VAL B 12 0.277 -6.630 -7.625 1.00 0.00 C ATOM 487 O VAL B 12 0.664 -7.779 -7.604 1.00 0.00 O ATOM 488 CB VAL B 12 -2.164 -6.626 -8.131 1.00 0.00 C ATOM 489 CG1 VAL B 12 -3.509 -6.061 -7.687 1.00 0.00 C ATOM 490 CG2 VAL B 12 -1.793 -6.035 -9.492 1.00 0.00 C ATOM 0 H VAL B 12 -1.809 -4.265 -7.414 1.00 0.00 H new ATOM 0 HA VAL B 12 -1.305 -6.787 -6.172 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.225 -7.711 -8.214 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -4.273 -6.324 -8.418 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -3.777 -6.479 -6.716 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -3.440 -4.976 -7.609 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -2.554 -6.304 -10.225 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -1.733 -4.950 -9.413 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -0.828 -6.430 -9.809 1.00 0.00 H new ATOM 500 N GLU B 13 1.027 -5.663 -8.079 1.00 0.00 N ATOM 501 CA GLU B 13 2.390 -5.959 -8.588 1.00 0.00 C ATOM 502 C GLU B 13 3.307 -6.120 -7.386 1.00 0.00 C ATOM 503 O GLU B 13 3.941 -7.138 -7.203 1.00 0.00 O ATOM 504 CB GLU B 13 2.878 -4.804 -9.464 1.00 0.00 C ATOM 505 CG GLU B 13 4.111 -5.247 -10.252 1.00 0.00 C ATOM 506 CD GLU B 13 5.363 -4.620 -9.636 1.00 0.00 C ATOM 507 OE1 GLU B 13 5.926 -5.227 -8.739 1.00 0.00 O ATOM 508 OE2 GLU B 13 5.738 -3.544 -10.070 1.00 0.00 O ATOM 0 H GLU B 13 0.752 -4.682 -8.118 1.00 0.00 H new ATOM 0 HA GLU B 13 2.386 -6.868 -9.189 1.00 0.00 H new ATOM 0 HB2 GLU B 13 2.088 -4.494 -10.148 1.00 0.00 H new ATOM 0 HB3 GLU B 13 3.120 -3.941 -8.844 1.00 0.00 H new ATOM 0 HG2 GLU B 13 4.192 -6.334 -10.240 1.00 0.00 H new ATOM 0 HG3 GLU B 13 4.016 -4.946 -11.295 1.00 0.00 H new ATOM 515 N ALA B 14 3.354 -5.132 -6.539 1.00 0.00 N ATOM 516 CA ALA B 14 4.200 -5.247 -5.330 1.00 0.00 C ATOM 517 C ALA B 14 3.785 -6.518 -4.591 1.00 0.00 C ATOM 518 O ALA B 14 4.591 -7.207 -3.992 1.00 0.00 O ATOM 519 CB ALA B 14 3.964 -4.029 -4.440 1.00 0.00 C ATOM 0 H ALA B 14 2.844 -4.254 -6.634 1.00 0.00 H new ATOM 0 HA ALA B 14 5.256 -5.293 -5.594 1.00 0.00 H new ATOM 0 HB1 ALA B 14 4.584 -4.106 -3.547 1.00 0.00 H new ATOM 0 HB2 ALA B 14 4.226 -3.123 -4.986 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.914 -3.988 -4.151 1.00 0.00 H new ATOM 525 N LEU B 15 2.520 -6.835 -4.649 1.00 0.00 N ATOM 526 CA LEU B 15 2.022 -8.059 -3.972 1.00 0.00 C ATOM 527 C LEU B 15 2.327 -9.273 -4.847 1.00 0.00 C ATOM 528 O LEU B 15 2.811 -10.284 -4.379 1.00 0.00 O ATOM 529 CB LEU B 15 0.512 -7.939 -3.751 1.00 0.00 C ATOM 530 CG LEU B 15 0.212 -6.664 -2.959 1.00 0.00 C ATOM 531 CD1 LEU B 15 -1.153 -6.106 -3.368 1.00 0.00 C ATOM 532 CD2 LEU B 15 0.200 -6.987 -1.463 1.00 0.00 C ATOM 0 H LEU B 15 1.809 -6.293 -5.140 1.00 0.00 H new ATOM 0 HA LEU B 15 2.514 -8.177 -3.007 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.006 -7.915 -4.710 1.00 0.00 H new ATOM 0 HB3 LEU B 15 0.142 -8.811 -3.211 1.00 0.00 H new ATOM 0 HG LEU B 15 0.981 -5.921 -3.170 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -1.360 -5.199 -2.800 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -1.147 -5.874 -4.433 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -1.925 -6.847 -3.162 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -0.013 -6.080 -0.897 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -0.568 -7.732 -1.258 1.00 0.00 H new ATOM 0 HD23 LEU B 15 1.173 -7.379 -1.168 1.00 0.00 H new ATOM 544 N TYR B 16 2.054 -9.169 -6.116 1.00 0.00 N ATOM 545 CA TYR B 16 2.330 -10.305 -7.048 1.00 0.00 C ATOM 546 C TYR B 16 3.659 -10.967 -6.689 1.00 0.00 C ATOM 547 O TYR B 16 3.861 -12.143 -6.915 1.00 0.00 O ATOM 548 CB TYR B 16 2.442 -9.777 -8.479 1.00 0.00 C ATOM 549 CG TYR B 16 1.425 -10.462 -9.361 1.00 0.00 C ATOM 550 CD1 TYR B 16 1.426 -11.858 -9.479 1.00 0.00 C ATOM 551 CD2 TYR B 16 0.480 -9.701 -10.063 1.00 0.00 C ATOM 552 CE1 TYR B 16 0.482 -12.493 -10.299 1.00 0.00 C ATOM 553 CE2 TYR B 16 -0.463 -10.336 -10.882 1.00 0.00 C ATOM 554 CZ TYR B 16 -0.462 -11.732 -11.001 1.00 0.00 C ATOM 555 OH TYR B 16 -1.390 -12.357 -11.808 1.00 0.00 O ATOM 0 H TYR B 16 1.649 -8.342 -6.554 1.00 0.00 H new ATOM 0 HA TYR B 16 1.516 -11.025 -6.965 1.00 0.00 H new ATOM 0 HB2 TYR B 16 2.280 -8.699 -8.492 1.00 0.00 H new ATOM 0 HB3 TYR B 16 3.447 -9.953 -8.863 1.00 0.00 H new ATOM 0 HD1 TYR B 16 2.154 -12.445 -8.939 1.00 0.00 H new ATOM 0 HD2 TYR B 16 0.479 -8.625 -9.973 1.00 0.00 H new ATOM 0 HE1 TYR B 16 0.483 -13.569 -10.389 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -1.191 -9.749 -11.422 1.00 0.00 H new ATOM 0 HH TYR B 16 -1.971 -11.684 -12.221 1.00 0.00 H new ATOM 565 N LEU B 17 4.579 -10.212 -6.159 1.00 0.00 N ATOM 566 CA LEU B 17 5.908 -10.790 -5.820 1.00 0.00 C ATOM 567 C LEU B 17 5.959 -11.216 -4.351 1.00 0.00 C ATOM 568 O LEU B 17 6.137 -12.379 -4.047 1.00 0.00 O ATOM 569 CB LEU B 17 7.027 -9.774 -6.090 1.00 0.00 C ATOM 570 CG LEU B 17 6.471 -8.436 -6.591 1.00 0.00 C ATOM 571 CD1 LEU B 17 7.607 -7.415 -6.671 1.00 0.00 C ATOM 572 CD2 LEU B 17 5.867 -8.626 -7.985 1.00 0.00 C ATOM 0 H LEU B 17 4.468 -9.221 -5.946 1.00 0.00 H new ATOM 0 HA LEU B 17 6.056 -11.666 -6.451 1.00 0.00 H new ATOM 0 HB2 LEU B 17 7.599 -9.611 -5.176 1.00 0.00 H new ATOM 0 HB3 LEU B 17 7.717 -10.181 -6.829 1.00 0.00 H new ATOM 0 HG LEU B 17 5.703 -8.080 -5.904 1.00 0.00 H new ATOM 0 HD11 LEU B 17 7.215 -6.462 -7.027 1.00 0.00 H new ATOM 0 HD12 LEU B 17 8.046 -7.280 -5.682 1.00 0.00 H new ATOM 0 HD13 LEU B 17 8.371 -7.774 -7.361 1.00 0.00 H new ATOM 0 HD21 LEU B 17 5.471 -7.675 -8.343 1.00 0.00 H new ATOM 0 HD22 LEU B 17 6.638 -8.979 -8.670 1.00 0.00 H new ATOM 0 HD23 LEU B 17 5.062 -9.359 -7.936 1.00 0.00 H new ATOM 584 N VAL B 18 5.832 -10.292 -3.438 1.00 0.00 N ATOM 585 CA VAL B 18 5.901 -10.674 -1.993 1.00 0.00 C ATOM 586 C VAL B 18 5.094 -11.946 -1.761 1.00 0.00 C ATOM 587 O VAL B 18 5.558 -12.895 -1.161 1.00 0.00 O ATOM 588 CB VAL B 18 5.340 -9.552 -1.122 1.00 0.00 C ATOM 589 CG1 VAL B 18 6.188 -8.297 -1.297 1.00 0.00 C ATOM 590 CG2 VAL B 18 3.904 -9.251 -1.538 1.00 0.00 C ATOM 0 H VAL B 18 5.685 -9.300 -3.623 1.00 0.00 H new ATOM 0 HA VAL B 18 6.943 -10.846 -1.724 1.00 0.00 H new ATOM 0 HB VAL B 18 5.360 -9.864 -0.078 1.00 0.00 H new ATOM 0 HG11 VAL B 18 5.787 -7.497 -0.675 1.00 0.00 H new ATOM 0 HG12 VAL B 18 7.215 -8.508 -0.999 1.00 0.00 H new ATOM 0 HG13 VAL B 18 6.169 -7.988 -2.342 1.00 0.00 H new ATOM 0 HG21 VAL B 18 3.505 -8.450 -0.915 1.00 0.00 H new ATOM 0 HG22 VAL B 18 3.885 -8.942 -2.583 1.00 0.00 H new ATOM 0 HG23 VAL B 18 3.294 -10.146 -1.413 1.00 0.00 H new ATOM 600 N CYS B 19 3.892 -11.969 -2.240 1.00 0.00 N ATOM 601 CA CYS B 19 3.034 -13.170 -2.069 1.00 0.00 C ATOM 602 C CYS B 19 2.810 -13.814 -3.435 1.00 0.00 C ATOM 603 O CYS B 19 3.352 -14.858 -3.739 1.00 0.00 O ATOM 604 CB CYS B 19 1.691 -12.748 -1.474 1.00 0.00 C ATOM 605 SG CYS B 19 1.676 -13.099 0.302 1.00 0.00 S ATOM 0 H CYS B 19 3.458 -11.199 -2.750 1.00 0.00 H new ATOM 0 HA CYS B 19 3.516 -13.883 -1.401 1.00 0.00 H new ATOM 0 HB2 CYS B 19 1.524 -11.685 -1.646 1.00 0.00 H new ATOM 0 HB3 CYS B 19 0.879 -13.282 -1.967 1.00 0.00 H new ATOM 610 N GLY B 20 2.024 -13.188 -4.268 1.00 0.00 N ATOM 611 CA GLY B 20 1.768 -13.747 -5.624 1.00 0.00 C ATOM 612 C GLY B 20 1.250 -15.182 -5.515 1.00 0.00 C ATOM 613 O GLY B 20 0.061 -15.428 -5.549 1.00 0.00 O ATOM 0 H GLY B 20 1.547 -12.310 -4.066 1.00 0.00 H new ATOM 0 HA2 GLY B 20 1.040 -13.129 -6.149 1.00 0.00 H new ATOM 0 HA3 GLY B 20 2.685 -13.728 -6.212 1.00 0.00 H new ATOM 617 N GLU B 21 2.135 -16.135 -5.395 1.00 0.00 N ATOM 618 CA GLU B 21 1.696 -17.556 -5.295 1.00 0.00 C ATOM 619 C GLU B 21 0.574 -17.679 -4.269 1.00 0.00 C ATOM 620 O GLU B 21 -0.319 -18.492 -4.405 1.00 0.00 O ATOM 621 CB GLU B 21 2.879 -18.428 -4.872 1.00 0.00 C ATOM 622 CG GLU B 21 2.584 -19.889 -5.212 1.00 0.00 C ATOM 623 CD GLU B 21 3.338 -20.281 -6.483 1.00 0.00 C ATOM 624 OE1 GLU B 21 2.874 -19.930 -7.556 1.00 0.00 O ATOM 625 OE2 GLU B 21 4.368 -20.926 -6.365 1.00 0.00 O ATOM 0 H GLU B 21 3.144 -15.990 -5.362 1.00 0.00 H new ATOM 0 HA GLU B 21 1.330 -17.889 -6.266 1.00 0.00 H new ATOM 0 HB2 GLU B 21 3.786 -18.101 -5.381 1.00 0.00 H new ATOM 0 HB3 GLU B 21 3.058 -18.322 -3.802 1.00 0.00 H new ATOM 0 HG2 GLU B 21 2.884 -20.533 -4.386 1.00 0.00 H new ATOM 0 HG3 GLU B 21 1.513 -20.031 -5.354 1.00 0.00 H new ATOM 632 N ARG B 22 0.611 -16.879 -3.248 1.00 0.00 N ATOM 633 CA ARG B 22 -0.446 -16.940 -2.214 1.00 0.00 C ATOM 634 C ARG B 22 -1.634 -16.076 -2.648 1.00 0.00 C ATOM 635 O ARG B 22 -2.485 -15.732 -1.851 1.00 0.00 O ATOM 636 CB ARG B 22 0.125 -16.408 -0.904 1.00 0.00 C ATOM 637 CG ARG B 22 1.495 -17.040 -0.644 1.00 0.00 C ATOM 638 CD ARG B 22 1.358 -18.564 -0.609 1.00 0.00 C ATOM 639 NE ARG B 22 1.631 -19.057 0.769 1.00 0.00 N ATOM 640 CZ ARG B 22 0.671 -19.088 1.653 1.00 0.00 C ATOM 641 NH1 ARG B 22 0.370 -18.011 2.327 1.00 0.00 N ATOM 642 NH2 ARG B 22 0.009 -20.194 1.860 1.00 0.00 N ATOM 0 H ARG B 22 1.335 -16.179 -3.085 1.00 0.00 H new ATOM 0 HA ARG B 22 -0.783 -17.968 -2.082 1.00 0.00 H new ATOM 0 HB2 ARG B 22 0.217 -15.323 -0.950 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -0.553 -16.635 -0.082 1.00 0.00 H new ATOM 0 HG2 ARG B 22 2.197 -16.746 -1.424 1.00 0.00 H new ATOM 0 HG3 ARG B 22 1.900 -16.679 0.302 1.00 0.00 H new ATOM 0 HD2 ARG B 22 0.355 -18.857 -0.919 1.00 0.00 H new ATOM 0 HD3 ARG B 22 2.055 -19.018 -1.314 1.00 0.00 H new ATOM 0 HE ARG B 22 2.568 -19.370 1.022 1.00 0.00 H new ATOM 0 HH11 ARG B 22 0.885 -17.146 2.163 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -0.380 -18.035 3.018 1.00 0.00 H new ATOM 0 HH21 ARG B 22 0.242 -21.034 1.331 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -0.741 -20.218 2.551 1.00 0.00 H new ATOM 656 N GLY B 23 -1.699 -15.721 -3.903 1.00 0.00 N ATOM 657 CA GLY B 23 -2.832 -14.878 -4.381 1.00 0.00 C ATOM 658 C GLY B 23 -3.042 -13.718 -3.409 1.00 0.00 C ATOM 659 O GLY B 23 -3.733 -13.844 -2.417 1.00 0.00 O ATOM 0 H GLY B 23 -1.017 -15.978 -4.617 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -2.621 -14.497 -5.380 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -3.740 -15.476 -4.453 1.00 0.00 H new ATOM 663 N PHE B 24 -2.448 -12.589 -3.680 1.00 0.00 N ATOM 664 CA PHE B 24 -2.606 -11.427 -2.773 1.00 0.00 C ATOM 665 C PHE B 24 -4.085 -11.058 -2.663 1.00 0.00 C ATOM 666 O PHE B 24 -4.946 -11.733 -3.193 1.00 0.00 O ATOM 667 CB PHE B 24 -1.819 -10.249 -3.342 1.00 0.00 C ATOM 668 CG PHE B 24 -2.058 -10.144 -4.830 1.00 0.00 C ATOM 669 CD1 PHE B 24 -3.256 -9.595 -5.310 1.00 0.00 C ATOM 670 CD2 PHE B 24 -1.082 -10.592 -5.731 1.00 0.00 C ATOM 671 CE1 PHE B 24 -3.476 -9.496 -6.691 1.00 0.00 C ATOM 672 CE2 PHE B 24 -1.304 -10.492 -7.111 1.00 0.00 C ATOM 673 CZ PHE B 24 -2.502 -9.944 -7.590 1.00 0.00 C ATOM 0 H PHE B 24 -1.858 -12.424 -4.496 1.00 0.00 H new ATOM 0 HA PHE B 24 -2.230 -11.676 -1.781 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -2.123 -9.325 -2.850 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -0.755 -10.381 -3.144 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -4.008 -9.249 -4.617 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -0.159 -11.014 -5.362 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -4.398 -9.073 -7.061 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -0.552 -10.837 -7.805 1.00 0.00 H new ATOM 0 HZ PHE B 24 -2.673 -9.868 -8.654 1.00 0.00 H new ATOM 683 N PHE B 25 -4.390 -9.992 -1.975 1.00 0.00 N ATOM 684 CA PHE B 25 -5.814 -9.582 -1.827 1.00 0.00 C ATOM 685 C PHE B 25 -5.883 -8.076 -1.568 1.00 0.00 C ATOM 686 O PHE B 25 -6.460 -7.630 -0.596 1.00 0.00 O ATOM 687 CB PHE B 25 -6.432 -10.334 -0.647 1.00 0.00 C ATOM 688 CG PHE B 25 -7.866 -9.898 -0.461 1.00 0.00 C ATOM 689 CD1 PHE B 25 -8.684 -9.679 -1.578 1.00 0.00 C ATOM 690 CD2 PHE B 25 -8.377 -9.712 0.829 1.00 0.00 C ATOM 691 CE1 PHE B 25 -10.013 -9.274 -1.403 1.00 0.00 C ATOM 692 CE2 PHE B 25 -9.707 -9.307 1.004 1.00 0.00 C ATOM 693 CZ PHE B 25 -10.525 -9.088 -0.112 1.00 0.00 C ATOM 0 H PHE B 25 -3.714 -9.387 -1.509 1.00 0.00 H new ATOM 0 HA PHE B 25 -6.363 -9.818 -2.738 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -6.389 -11.408 -0.825 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -5.861 -10.138 0.261 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -8.289 -9.823 -2.573 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -7.746 -9.881 1.689 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -10.644 -9.105 -2.263 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -10.101 -9.164 1.999 1.00 0.00 H new ATOM 0 HZ PHE B 25 -11.550 -8.776 0.023 1.00 0.00 H new ATOM 703 N TYR B 26 -5.294 -7.290 -2.427 1.00 0.00 N ATOM 704 CA TYR B 26 -5.318 -5.819 -2.234 1.00 0.00 C ATOM 705 C TYR B 26 -6.765 -5.320 -2.198 1.00 0.00 C ATOM 706 O TYR B 26 -7.663 -6.013 -1.763 1.00 0.00 O ATOM 707 CB TYR B 26 -4.554 -5.158 -3.388 1.00 0.00 C ATOM 708 CG TYR B 26 -5.434 -5.052 -4.615 1.00 0.00 C ATOM 709 CD1 TYR B 26 -6.380 -6.050 -4.890 1.00 0.00 C ATOM 710 CD2 TYR B 26 -5.300 -3.956 -5.477 1.00 0.00 C ATOM 711 CE1 TYR B 26 -7.192 -5.948 -6.028 1.00 0.00 C ATOM 712 CE2 TYR B 26 -6.113 -3.856 -6.614 1.00 0.00 C ATOM 713 CZ TYR B 26 -7.058 -4.851 -6.889 1.00 0.00 C ATOM 714 OH TYR B 26 -7.857 -4.753 -8.010 1.00 0.00 O ATOM 0 H TYR B 26 -4.795 -7.609 -3.258 1.00 0.00 H new ATOM 0 HA TYR B 26 -4.843 -5.561 -1.287 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -4.218 -4.166 -3.088 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -3.662 -5.740 -3.622 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -6.483 -6.896 -4.226 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -4.570 -3.188 -5.265 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -7.921 -6.715 -6.241 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -6.010 -3.011 -7.278 1.00 0.00 H new ATOM 0 HH TYR B 26 -7.637 -3.932 -8.498 1.00 0.00 H new ATOM 724 N THR B 27 -6.997 -4.120 -2.653 1.00 0.00 N ATOM 725 CA THR B 27 -8.382 -3.574 -2.645 1.00 0.00 C ATOM 726 C THR B 27 -8.952 -3.605 -4.064 1.00 0.00 C ATOM 727 O THR B 27 -8.244 -3.403 -5.030 1.00 0.00 O ATOM 728 CB THR B 27 -8.359 -2.130 -2.138 1.00 0.00 C ATOM 729 OG1 THR B 27 -7.016 -1.668 -2.095 1.00 0.00 O ATOM 730 CG2 THR B 27 -8.969 -2.067 -0.737 1.00 0.00 C ATOM 0 H THR B 27 -6.286 -3.494 -3.030 1.00 0.00 H new ATOM 0 HA THR B 27 -9.006 -4.181 -1.989 1.00 0.00 H new ATOM 0 HB THR B 27 -8.940 -1.499 -2.811 1.00 0.00 H new ATOM 0 HG1 THR B 27 -6.980 -0.739 -2.404 1.00 0.00 H new ATOM 0 HG21 THR B 27 -8.951 -1.038 -0.378 1.00 0.00 H new ATOM 0 HG22 THR B 27 -9.999 -2.421 -0.772 1.00 0.00 H new ATOM 0 HG23 THR B 27 -8.392 -2.697 -0.060 1.00 0.00 H new ATOM 738 N LYS B 28 -10.226 -3.855 -4.195 1.00 0.00 N ATOM 739 CA LYS B 28 -10.844 -3.898 -5.544 1.00 0.00 C ATOM 740 C LYS B 28 -10.517 -2.591 -6.288 1.00 0.00 C ATOM 741 O LYS B 28 -9.721 -1.802 -5.820 1.00 0.00 O ATOM 742 CB LYS B 28 -12.360 -4.110 -5.378 1.00 0.00 C ATOM 743 CG LYS B 28 -13.105 -2.775 -5.233 1.00 0.00 C ATOM 744 CD LYS B 28 -13.538 -2.585 -3.778 1.00 0.00 C ATOM 745 CE LYS B 28 -15.035 -2.875 -3.651 1.00 0.00 C ATOM 746 NZ LYS B 28 -15.644 -1.925 -2.675 1.00 0.00 N ATOM 0 H LYS B 28 -10.866 -4.032 -3.420 1.00 0.00 H new ATOM 0 HA LYS B 28 -10.448 -4.722 -6.137 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -12.749 -4.652 -6.240 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -12.547 -4.729 -4.501 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -12.461 -1.952 -5.542 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -13.977 -2.760 -5.887 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -12.971 -3.252 -3.128 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -13.325 -1.566 -3.454 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -15.519 -2.776 -4.622 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -15.191 -3.902 -3.321 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -16.662 -2.121 -2.588 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -15.189 -2.041 -1.747 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -15.507 -0.949 -3.008 1.00 0.00 H new ATOM 760 N PRO B 29 -11.125 -2.405 -7.432 1.00 0.00 N ATOM 761 CA PRO B 29 -10.898 -1.217 -8.266 1.00 0.00 C ATOM 762 C PRO B 29 -11.803 -0.066 -7.815 1.00 0.00 C ATOM 763 O PRO B 29 -12.847 -0.277 -7.229 1.00 0.00 O ATOM 764 CB PRO B 29 -11.280 -1.699 -9.668 1.00 0.00 C ATOM 765 CG PRO B 29 -12.226 -2.913 -9.475 1.00 0.00 C ATOM 766 CD PRO B 29 -12.089 -3.356 -8.005 1.00 0.00 C ATOM 0 HA PRO B 29 -9.878 -0.836 -8.211 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -11.776 -0.907 -10.229 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -10.394 -1.984 -10.235 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -13.257 -2.640 -9.702 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -11.956 -3.725 -10.150 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -13.046 -3.315 -7.485 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -11.729 -4.382 -7.930 1.00 0.00 H new ATOM 774 N THR B 30 -11.413 1.150 -8.086 1.00 0.00 N ATOM 775 CA THR B 30 -12.253 2.310 -7.675 1.00 0.00 C ATOM 776 C THR B 30 -11.815 3.556 -8.449 1.00 0.00 C ATOM 777 O THR B 30 -10.710 3.550 -8.966 1.00 0.00 O ATOM 778 CB THR B 30 -12.089 2.557 -6.174 1.00 0.00 C ATOM 779 OG1 THR B 30 -12.484 3.887 -5.869 1.00 0.00 O ATOM 780 CG2 THR B 30 -10.626 2.353 -5.777 1.00 0.00 C ATOM 781 OXT THR B 30 -12.592 4.494 -8.509 1.00 0.00 O ATOM 0 H THR B 30 -10.550 1.390 -8.574 1.00 0.00 H new ATOM 0 HA THR B 30 -13.299 2.095 -7.893 1.00 0.00 H new ATOM 0 HB THR B 30 -12.713 1.856 -5.620 1.00 0.00 H new ATOM 0 HG1 THR B 30 -12.381 4.046 -4.908 1.00 0.00 H new ATOM 0 HG21 THR B 30 -10.511 2.529 -4.708 1.00 0.00 H new ATOM 0 HG22 THR B 30 -10.325 1.332 -6.011 1.00 0.00 H new ATOM 0 HG23 THR B 30 -9.998 3.052 -6.329 1.00 0.00 H new TER 789 THR B 30