USER MOD reduce.3.24.130724 H: found=0, std=0, add=375, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 382 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+ -176:sc= 0 (180deg=-0.0193) USER MOD Single : A 5 GLN : amide:sc= -0.0435 X(o=-0.043,f=-0.35) USER MOD Single : A 8 THR OG1 : rot -113:sc= 0.919 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.304 K(o=-0.3,f=-1.8) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0.0019) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.0118 K(o=-0.012,f=-0.82) USER MOD Single : B 33 ASN : amide:sc= -0.244 K(o=-0.24,f=-4.1!) USER MOD Single : B 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 35 HIS : no HD1:sc= -0.0912 X(o=-0.091,f=-0.15) USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 46 TYR OH : rot 180:sc= 0 USER MOD Single : B 52 GLN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : B 56 TYR OH : rot 180:sc= 0 USER MOD Single : B 57 THR OG1 : rot 50:sc= 0.525 USER MOD Single : B 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 60 THR OG1 : rot 49:sc= 0.138 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.890 1.088 -1.271 1.00 25.00 N ATOM 2 CA GLY A 1 3.326 1.039 -0.819 1.00 25.00 C ATOM 3 C GLY A 1 4.077 -0.263 -1.145 1.00 25.00 C ATOM 4 O GLY A 1 3.566 -1.129 -1.843 1.00 25.00 O ATOM 0 H1 GLY A 1 1.493 2.027 -1.066 1.00 25.00 H new ATOM 0 H2 GLY A 1 1.842 0.907 -2.294 1.00 25.00 H new ATOM 0 H3 GLY A 1 1.342 0.363 -0.765 1.00 25.00 H new ATOM 0 HA2 GLY A 1 3.861 1.871 -1.276 1.00 25.00 H new ATOM 0 HA3 GLY A 1 3.355 1.195 0.259 1.00 25.00 H new ATOM 9 N ILE A 2 5.282 -0.453 -0.565 1.00 25.00 N ATOM 10 CA ILE A 2 6.095 -1.655 -0.807 1.00 25.00 C ATOM 11 C ILE A 2 5.376 -2.951 -0.456 1.00 25.00 C ATOM 12 O ILE A 2 5.536 -3.974 -1.122 1.00 25.00 O ATOM 13 CB ILE A 2 7.461 -1.566 -0.030 1.00 25.00 C ATOM 14 CG1 ILE A 2 8.363 -2.732 -0.436 1.00 25.00 C ATOM 15 CG2 ILE A 2 7.246 -1.486 1.485 1.00 25.00 C ATOM 16 CD1 ILE A 2 9.781 -2.707 0.133 1.00 25.00 C ATOM 0 H ILE A 2 5.710 0.216 0.075 1.00 25.00 H new ATOM 0 HA ILE A 2 6.284 -1.682 -1.880 1.00 25.00 H new ATOM 0 HB ILE A 2 7.966 -0.640 -0.307 1.00 25.00 H new ATOM 0 HG12 ILE A 2 7.884 -3.661 -0.127 1.00 25.00 H new ATOM 0 HG13 ILE A 2 8.429 -2.754 -1.524 1.00 25.00 H new ATOM 0 HG21 ILE A 2 8.212 -1.426 1.987 1.00 25.00 H new ATOM 0 HG22 ILE A 2 6.658 -0.600 1.723 1.00 25.00 H new ATOM 0 HG23 ILE A 2 6.715 -2.376 1.825 1.00 25.00 H new ATOM 0 HD11 ILE A 2 10.330 -3.580 -0.220 1.00 25.00 H new ATOM 0 HD12 ILE A 2 10.289 -1.801 -0.196 1.00 25.00 H new ATOM 0 HD13 ILE A 2 9.736 -2.722 1.222 1.00 25.00 H new ATOM 28 N VAL A 3 4.529 -2.903 0.577 1.00 25.00 N ATOM 29 CA VAL A 3 3.817 -4.116 1.034 1.00 25.00 C ATOM 30 C VAL A 3 2.924 -4.658 -0.065 1.00 25.00 C ATOM 31 O VAL A 3 3.063 -5.823 -0.408 1.00 25.00 O ATOM 32 CB VAL A 3 2.982 -3.886 2.308 1.00 25.00 C ATOM 33 CG1 VAL A 3 2.381 -5.261 2.765 1.00 25.00 C ATOM 34 CG2 VAL A 3 3.831 -3.269 3.404 1.00 25.00 C ATOM 0 H VAL A 3 4.318 -2.058 1.108 1.00 25.00 H new ATOM 0 HA VAL A 3 4.590 -4.844 1.280 1.00 25.00 H new ATOM 0 HB VAL A 3 2.172 -3.188 2.098 1.00 25.00 H new ATOM 0 HG11 VAL A 3 1.786 -5.116 3.667 1.00 25.00 H new ATOM 0 HG12 VAL A 3 1.748 -5.663 1.974 1.00 25.00 H new ATOM 0 HG13 VAL A 3 3.190 -5.961 2.973 1.00 25.00 H new ATOM 0 HG21 VAL A 3 3.221 -3.115 4.294 1.00 25.00 H new ATOM 0 HG22 VAL A 3 4.659 -3.937 3.642 1.00 25.00 H new ATOM 0 HG23 VAL A 3 4.224 -2.311 3.064 1.00 25.00 H new ATOM 44 N GLU A 4 2.034 -3.826 -0.618 1.00 25.00 N ATOM 45 CA GLU A 4 1.155 -4.289 -1.701 1.00 25.00 C ATOM 46 C GLU A 4 1.917 -4.470 -3.024 1.00 25.00 C ATOM 47 O GLU A 4 1.526 -5.275 -3.876 1.00 25.00 O ATOM 48 CB GLU A 4 -0.031 -3.350 -1.852 1.00 25.00 C ATOM 49 CG GLU A 4 0.306 -1.982 -2.457 1.00 25.00 C ATOM 50 CD GLU A 4 -0.892 -1.093 -2.526 1.00 25.00 C ATOM 51 OE1 GLU A 4 -1.346 -0.604 -3.513 1.00 25.00 O ATOM 52 OE2 GLU A 4 -1.464 -0.947 -1.391 1.00 25.00 O ATOM 0 H GLU A 4 1.903 -2.852 -0.343 1.00 25.00 H new ATOM 0 HA GLU A 4 0.776 -5.275 -1.431 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -0.782 -3.833 -2.477 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -0.483 -3.197 -0.872 1.00 25.00 H new ATOM 0 HG2 GLU A 4 1.081 -1.502 -1.859 1.00 25.00 H new ATOM 0 HG3 GLU A 4 0.715 -2.119 -3.458 1.00 25.00 H new ATOM 60 N GLN A 5 3.026 -3.767 -3.176 1.00 25.00 N ATOM 61 CA GLN A 5 3.868 -3.904 -4.374 1.00 25.00 C ATOM 62 C GLN A 5 4.520 -5.290 -4.452 1.00 25.00 C ATOM 63 O GLN A 5 4.625 -5.862 -5.531 1.00 25.00 O ATOM 64 CB GLN A 5 4.986 -2.853 -4.372 1.00 25.00 C ATOM 65 CG GLN A 5 5.363 -2.336 -5.771 1.00 25.00 C ATOM 66 CD GLN A 5 4.270 -1.478 -6.389 1.00 25.00 C ATOM 67 OE1 GLN A 5 3.746 -0.616 -5.748 1.00 25.00 O ATOM 68 NE2 GLN A 5 3.960 -1.697 -7.641 1.00 25.00 N ATOM 0 H GLN A 5 3.372 -3.094 -2.492 1.00 25.00 H new ATOM 0 HA GLN A 5 3.214 -3.763 -5.235 1.00 25.00 H new ATOM 0 HB2 GLN A 5 4.676 -2.009 -3.756 1.00 25.00 H new ATOM 0 HB3 GLN A 5 5.872 -3.281 -3.903 1.00 25.00 H new ATOM 0 HG2 GLN A 5 6.283 -1.755 -5.704 1.00 25.00 H new ATOM 0 HG3 GLN A 5 5.568 -3.184 -6.425 1.00 25.00 H new ATOM 0 HE21 GLN A 5 4.427 -2.441 -8.159 1.00 25.00 H new ATOM 0 HE22 GLN A 5 3.252 -1.123 -8.099 1.00 25.00 H new ATOM 77 N CYS A 6 4.974 -5.792 -3.313 1.00 25.00 N ATOM 78 CA CYS A 6 5.705 -7.081 -3.269 1.00 25.00 C ATOM 79 C CYS A 6 4.835 -8.299 -2.906 1.00 25.00 C ATOM 80 O CYS A 6 5.032 -9.402 -3.446 1.00 25.00 O ATOM 81 CB CYS A 6 6.881 -6.986 -2.269 1.00 25.00 C ATOM 82 SG CYS A 6 8.072 -8.372 -2.407 1.00 25.00 S ATOM 0 H CYS A 6 4.858 -5.342 -2.405 1.00 25.00 H new ATOM 0 HA CYS A 6 6.060 -7.248 -4.286 1.00 25.00 H new ATOM 0 HB2 CYS A 6 7.409 -6.046 -2.430 1.00 25.00 H new ATOM 0 HB3 CYS A 6 6.483 -6.959 -1.254 1.00 25.00 H new ATOM 87 N CYS A 7 3.857 -8.104 -2.011 1.00 25.00 N ATOM 88 CA CYS A 7 2.982 -9.212 -1.558 1.00 25.00 C ATOM 89 C CYS A 7 1.790 -9.421 -2.489 1.00 25.00 C ATOM 90 O CYS A 7 0.631 -9.428 -2.079 1.00 25.00 O ATOM 91 CB CYS A 7 2.496 -8.974 -0.145 1.00 25.00 C ATOM 92 SG CYS A 7 1.695 -10.426 0.629 1.00 25.00 S ATOM 0 H CYS A 7 3.647 -7.201 -1.585 1.00 25.00 H new ATOM 0 HA CYS A 7 3.586 -10.119 -1.580 1.00 25.00 H new ATOM 0 HB2 CYS A 7 3.342 -8.669 0.471 1.00 25.00 H new ATOM 0 HB3 CYS A 7 1.790 -8.144 -0.151 1.00 25.00 H new ATOM 97 N THR A 8 2.109 -9.591 -3.759 1.00 25.00 N ATOM 98 CA THR A 8 1.147 -9.814 -4.835 1.00 25.00 C ATOM 99 C THR A 8 1.791 -10.751 -5.885 1.00 25.00 C ATOM 100 O THR A 8 1.269 -11.815 -6.177 1.00 25.00 O ATOM 101 CB THR A 8 0.824 -8.462 -5.552 1.00 25.00 C ATOM 102 OG1 THR A 8 1.958 -7.573 -5.495 1.00 25.00 O ATOM 103 CG2 THR A 8 -0.384 -7.792 -4.882 1.00 25.00 C ATOM 0 H THR A 8 3.075 -9.578 -4.086 1.00 25.00 H new ATOM 0 HA THR A 8 0.238 -10.245 -4.416 1.00 25.00 H new ATOM 0 HB THR A 8 0.594 -8.673 -6.596 1.00 25.00 H new ATOM 0 HG1 THR A 8 1.738 -6.797 -4.938 1.00 25.00 H new ATOM 0 HG21 THR A 8 -0.604 -6.851 -5.386 1.00 25.00 H new ATOM 0 HG22 THR A 8 -1.250 -8.451 -4.950 1.00 25.00 H new ATOM 0 HG23 THR A 8 -0.157 -7.598 -3.834 1.00 25.00 H new ATOM 111 N SER A 9 2.965 -10.355 -6.384 1.00 25.00 N ATOM 112 CA SER A 9 3.673 -11.134 -7.408 1.00 25.00 C ATOM 113 C SER A 9 5.113 -11.508 -7.072 1.00 25.00 C ATOM 114 O SER A 9 5.853 -11.854 -7.954 1.00 25.00 O ATOM 115 CB SER A 9 3.707 -10.387 -8.731 1.00 25.00 C ATOM 116 OG SER A 9 2.454 -9.748 -8.977 1.00 25.00 O ATOM 0 H SER A 9 3.446 -9.502 -6.098 1.00 25.00 H new ATOM 0 HA SER A 9 3.097 -12.058 -7.464 1.00 25.00 H new ATOM 0 HB2 SER A 9 4.504 -9.644 -8.715 1.00 25.00 H new ATOM 0 HB3 SER A 9 3.934 -11.080 -9.541 1.00 25.00 H new ATOM 0 HG SER A 9 2.493 -9.270 -9.832 1.00 25.00 H new ATOM 122 N ILE A 10 5.484 -11.441 -5.804 1.00 25.00 N ATOM 123 CA ILE A 10 6.815 -11.857 -5.304 1.00 25.00 C ATOM 124 C ILE A 10 7.934 -11.019 -5.903 1.00 25.00 C ATOM 125 O ILE A 10 8.553 -11.425 -6.881 1.00 25.00 O ATOM 126 CB ILE A 10 7.093 -13.390 -5.581 1.00 25.00 C ATOM 127 CG1 ILE A 10 5.899 -14.250 -5.146 1.00 25.00 C ATOM 128 CG2 ILE A 10 8.388 -13.830 -4.838 1.00 25.00 C ATOM 129 CD1 ILE A 10 6.122 -15.759 -5.258 1.00 25.00 C ATOM 0 H ILE A 10 4.869 -11.092 -5.069 1.00 25.00 H new ATOM 0 HA ILE A 10 6.800 -11.694 -4.226 1.00 25.00 H new ATOM 0 HB ILE A 10 7.232 -13.534 -6.652 1.00 25.00 H new ATOM 0 HG12 ILE A 10 5.653 -14.009 -4.112 1.00 25.00 H new ATOM 0 HG13 ILE A 10 5.034 -13.979 -5.751 1.00 25.00 H new ATOM 0 HG21 ILE A 10 8.577 -14.886 -5.031 1.00 25.00 H new ATOM 0 HG22 ILE A 10 9.231 -13.239 -5.196 1.00 25.00 H new ATOM 0 HG23 ILE A 10 8.264 -13.673 -3.767 1.00 25.00 H new ATOM 0 HD11 ILE A 10 5.226 -16.285 -4.929 1.00 25.00 H new ATOM 0 HD12 ILE A 10 6.336 -16.019 -6.295 1.00 25.00 H new ATOM 0 HD13 ILE A 10 6.964 -16.050 -4.630 1.00 25.00 H new ATOM 141 N CYS A 11 8.201 -9.869 -5.314 1.00 25.00 N ATOM 142 CA CYS A 11 9.231 -8.967 -5.825 1.00 25.00 C ATOM 143 C CYS A 11 10.616 -9.640 -5.710 1.00 25.00 C ATOM 144 O CYS A 11 10.963 -10.211 -4.698 1.00 25.00 O ATOM 145 CB CYS A 11 9.170 -7.622 -5.096 1.00 25.00 C ATOM 146 SG CYS A 11 9.687 -7.559 -3.346 1.00 25.00 S ATOM 0 H CYS A 11 7.721 -9.532 -4.479 1.00 25.00 H new ATOM 0 HA CYS A 11 9.052 -8.762 -6.881 1.00 25.00 H new ATOM 0 HB2 CYS A 11 9.788 -6.916 -5.650 1.00 25.00 H new ATOM 0 HB3 CYS A 11 8.143 -7.260 -5.152 1.00 25.00 H new ATOM 151 N SER A 12 11.395 -9.500 -6.774 1.00 25.00 N ATOM 152 CA SER A 12 12.788 -9.984 -6.854 1.00 25.00 C ATOM 153 C SER A 12 13.775 -8.946 -6.290 1.00 25.00 C ATOM 154 O SER A 12 13.474 -7.768 -6.270 1.00 25.00 O ATOM 155 CB SER A 12 13.145 -10.259 -8.316 1.00 25.00 C ATOM 156 OG SER A 12 12.281 -11.249 -8.803 1.00 25.00 O ATOM 0 H SER A 12 11.081 -9.039 -7.628 1.00 25.00 H new ATOM 0 HA SER A 12 12.864 -10.895 -6.261 1.00 25.00 H new ATOM 0 HB2 SER A 12 13.050 -9.348 -8.907 1.00 25.00 H new ATOM 0 HB3 SER A 12 14.182 -10.586 -8.398 1.00 25.00 H new ATOM 0 HG SER A 12 12.495 -11.437 -9.741 1.00 25.00 H new ATOM 162 N LEU A 13 15.018 -9.370 -5.990 1.00 25.00 N ATOM 163 CA LEU A 13 16.062 -8.484 -5.475 1.00 25.00 C ATOM 164 C LEU A 13 16.351 -7.270 -6.391 1.00 25.00 C ATOM 165 O LEU A 13 16.773 -6.234 -5.901 1.00 25.00 O ATOM 166 CB LEU A 13 17.333 -9.276 -5.177 1.00 25.00 C ATOM 167 CG LEU A 13 18.291 -9.694 -6.319 1.00 25.00 C ATOM 168 CD1 LEU A 13 19.259 -8.599 -6.790 1.00 25.00 C ATOM 169 CD2 LEU A 13 19.100 -10.862 -5.806 1.00 25.00 C ATOM 0 H LEU A 13 15.319 -10.338 -6.100 1.00 25.00 H new ATOM 0 HA LEU A 13 15.682 -8.061 -4.545 1.00 25.00 H new ATOM 0 HB2 LEU A 13 17.917 -8.690 -4.467 1.00 25.00 H new ATOM 0 HB3 LEU A 13 17.029 -10.188 -4.663 1.00 25.00 H new ATOM 0 HG LEU A 13 17.675 -9.930 -7.187 1.00 25.00 H new ATOM 0 HD11 LEU A 13 19.887 -8.989 -7.591 1.00 25.00 H new ATOM 0 HD12 LEU A 13 18.691 -7.745 -7.158 1.00 25.00 H new ATOM 0 HD13 LEU A 13 19.887 -8.285 -5.956 1.00 25.00 H new ATOM 0 HD21 LEU A 13 19.793 -11.193 -6.580 1.00 25.00 H new ATOM 0 HD22 LEU A 13 19.661 -10.556 -4.923 1.00 25.00 H new ATOM 0 HD23 LEU A 13 18.430 -11.681 -5.544 1.00 25.00 H new ATOM 181 N TYR A 14 16.129 -7.407 -7.684 1.00 25.00 N ATOM 182 CA TYR A 14 16.371 -6.318 -8.622 1.00 25.00 C ATOM 183 C TYR A 14 15.447 -5.149 -8.231 1.00 25.00 C ATOM 184 O TYR A 14 15.870 -3.999 -8.148 1.00 25.00 O ATOM 185 CB TYR A 14 16.091 -6.779 -10.075 1.00 25.00 C ATOM 186 CG TYR A 14 16.238 -5.642 -11.061 1.00 25.00 C ATOM 187 CD1 TYR A 14 17.513 -5.192 -11.454 1.00 25.00 C ATOM 188 CD2 TYR A 14 15.092 -4.978 -11.596 1.00 25.00 C ATOM 189 CE1 TYR A 14 17.655 -4.102 -12.383 1.00 25.00 C ATOM 190 CE2 TYR A 14 15.240 -3.907 -12.511 1.00 25.00 C ATOM 191 CZ TYR A 14 16.493 -3.461 -12.900 1.00 25.00 C ATOM 192 OH TYR A 14 16.642 -2.412 -13.773 1.00 25.00 O ATOM 0 H TYR A 14 15.780 -8.264 -8.114 1.00 25.00 H new ATOM 0 HA TYR A 14 17.414 -6.003 -8.578 1.00 25.00 H new ATOM 0 HB2 TYR A 14 16.778 -7.582 -10.341 1.00 25.00 H new ATOM 0 HB3 TYR A 14 15.083 -7.188 -10.139 1.00 25.00 H new ATOM 0 HD1 TYR A 14 18.395 -5.670 -11.054 1.00 25.00 H new ATOM 0 HD2 TYR A 14 14.103 -5.296 -11.300 1.00 25.00 H new ATOM 0 HE1 TYR A 14 18.638 -3.772 -12.686 1.00 25.00 H new ATOM 0 HE2 TYR A 14 14.359 -3.429 -12.913 1.00 25.00 H new ATOM 0 HH TYR A 14 15.759 -2.080 -14.039 1.00 25.00 H new ATOM 202 N GLN A 15 14.202 -5.465 -7.945 1.00 25.00 N ATOM 203 CA GLN A 15 13.236 -4.487 -7.500 1.00 25.00 C ATOM 204 C GLN A 15 13.528 -4.093 -6.035 1.00 25.00 C ATOM 205 O GLN A 15 13.430 -2.930 -5.674 1.00 25.00 O ATOM 206 CB GLN A 15 11.831 -5.039 -7.663 1.00 25.00 C ATOM 207 CG GLN A 15 10.721 -3.986 -7.537 1.00 25.00 C ATOM 208 CD GLN A 15 9.328 -4.604 -7.696 1.00 25.00 C ATOM 209 OE1 GLN A 15 9.161 -5.821 -7.677 1.00 25.00 O ATOM 210 NE2 GLN A 15 8.345 -3.780 -7.770 1.00 25.00 N ATOM 0 H GLN A 15 13.831 -6.413 -8.015 1.00 25.00 H new ATOM 0 HA GLN A 15 13.314 -3.587 -8.110 1.00 25.00 H new ATOM 0 HB2 GLN A 15 11.752 -5.518 -8.639 1.00 25.00 H new ATOM 0 HB3 GLN A 15 11.668 -5.813 -6.913 1.00 25.00 H new ATOM 0 HG2 GLN A 15 10.793 -3.497 -6.565 1.00 25.00 H new ATOM 0 HG3 GLN A 15 10.865 -3.214 -8.293 1.00 25.00 H new ATOM 0 HE21 GLN A 15 8.521 -2.775 -7.784 1.00 25.00 H new ATOM 0 HE22 GLN A 15 7.388 -4.130 -7.815 1.00 25.00 H new ATOM 219 N LEU A 16 13.875 -5.057 -5.193 1.00 25.00 N ATOM 220 CA LEU A 16 14.091 -4.777 -3.763 1.00 25.00 C ATOM 221 C LEU A 16 15.267 -3.791 -3.520 1.00 25.00 C ATOM 222 O LEU A 16 15.203 -2.947 -2.645 1.00 25.00 O ATOM 223 CB LEU A 16 14.309 -6.098 -2.981 1.00 25.00 C ATOM 224 CG LEU A 16 14.158 -5.954 -1.445 1.00 25.00 C ATOM 225 CD1 LEU A 16 12.734 -5.746 -0.979 1.00 25.00 C ATOM 226 CD2 LEU A 16 14.726 -7.203 -0.773 1.00 25.00 C ATOM 0 H LEU A 16 14.014 -6.031 -5.462 1.00 25.00 H new ATOM 0 HA LEU A 16 13.190 -4.288 -3.391 1.00 25.00 H new ATOM 0 HB2 LEU A 16 13.596 -6.841 -3.338 1.00 25.00 H new ATOM 0 HB3 LEU A 16 15.305 -6.480 -3.204 1.00 25.00 H new ATOM 0 HG LEU A 16 14.707 -5.056 -1.163 1.00 25.00 H new ATOM 0 HD11 LEU A 16 12.716 -5.655 0.107 1.00 25.00 H new ATOM 0 HD12 LEU A 16 12.334 -4.836 -1.426 1.00 25.00 H new ATOM 0 HD13 LEU A 16 12.124 -6.597 -1.282 1.00 25.00 H new ATOM 0 HD21 LEU A 16 14.625 -7.112 0.308 1.00 25.00 H new ATOM 0 HD22 LEU A 16 14.179 -8.081 -1.116 1.00 25.00 H new ATOM 0 HD23 LEU A 16 15.780 -7.308 -1.031 1.00 25.00 H new ATOM 238 N GLU A 17 16.297 -3.861 -4.345 1.00 25.00 N ATOM 239 CA GLU A 17 17.441 -2.916 -4.222 1.00 25.00 C ATOM 240 C GLU A 17 17.016 -1.479 -4.523 1.00 25.00 C ATOM 241 O GLU A 17 17.678 -0.538 -4.093 1.00 25.00 O ATOM 242 CB GLU A 17 18.579 -3.320 -5.152 1.00 25.00 C ATOM 243 CG GLU A 17 19.397 -4.499 -4.603 1.00 25.00 C ATOM 244 CD GLU A 17 20.566 -4.883 -5.511 1.00 25.00 C ATOM 245 OE1 GLU A 17 20.950 -4.199 -6.430 1.00 25.00 O ATOM 246 OE2 GLU A 17 21.077 -6.040 -5.224 1.00 25.00 O ATOM 0 H GLU A 17 16.384 -4.541 -5.100 1.00 25.00 H new ATOM 0 HA GLU A 17 17.789 -2.963 -3.190 1.00 25.00 H new ATOM 0 HB2 GLU A 17 18.170 -3.588 -6.126 1.00 25.00 H new ATOM 0 HB3 GLU A 17 19.238 -2.466 -5.307 1.00 25.00 H new ATOM 0 HG2 GLU A 17 19.779 -4.241 -3.615 1.00 25.00 H new ATOM 0 HG3 GLU A 17 18.743 -5.362 -4.476 1.00 25.00 H new ATOM 254 N ASN A 18 15.919 -1.282 -5.246 1.00 25.00 N ATOM 255 CA ASN A 18 15.423 0.056 -5.564 1.00 25.00 C ATOM 256 C ASN A 18 14.970 0.764 -4.289 1.00 25.00 C ATOM 257 O ASN A 18 14.972 1.988 -4.216 1.00 25.00 O ATOM 258 CB ASN A 18 14.211 -0.058 -6.536 1.00 25.00 C ATOM 259 CG ASN A 18 13.956 1.229 -7.322 1.00 25.00 C ATOM 260 OD1 ASN A 18 13.439 2.169 -6.787 1.00 25.00 O ATOM 261 ND2 ASN A 18 14.248 1.228 -8.596 1.00 25.00 N ATOM 0 H ASN A 18 15.350 -2.038 -5.627 1.00 25.00 H new ATOM 0 HA ASN A 18 16.225 0.628 -6.031 1.00 25.00 H new ATOM 0 HB2 ASN A 18 14.388 -0.876 -7.235 1.00 25.00 H new ATOM 0 HB3 ASN A 18 13.317 -0.313 -5.966 1.00 25.00 H new ATOM 0 HD21 ASN A 18 14.036 2.045 -9.168 1.00 25.00 H new ATOM 0 HD22 ASN A 18 14.688 0.410 -9.018 1.00 25.00 H new ATOM 268 N TYR A 19 14.680 -0.020 -3.250 1.00 25.00 N ATOM 269 CA TYR A 19 14.300 0.550 -1.977 1.00 25.00 C ATOM 270 C TYR A 19 15.528 0.811 -1.086 1.00 25.00 C ATOM 271 O TYR A 19 15.403 1.325 0.040 1.00 25.00 O ATOM 272 CB TYR A 19 13.332 -0.390 -1.255 1.00 25.00 C ATOM 273 CG TYR A 19 12.048 -0.667 -2.052 1.00 25.00 C ATOM 274 CD1 TYR A 19 10.903 0.170 -1.912 1.00 25.00 C ATOM 275 CD2 TYR A 19 11.985 -1.750 -2.927 1.00 25.00 C ATOM 276 CE1 TYR A 19 9.736 -0.084 -2.643 1.00 25.00 C ATOM 277 CE2 TYR A 19 10.801 -2.014 -3.682 1.00 25.00 C ATOM 278 CZ TYR A 19 9.705 -1.170 -3.527 1.00 25.00 C ATOM 279 OH TYR A 19 8.554 -1.393 -4.276 1.00 25.00 O ATOM 0 H TYR A 19 14.703 -1.039 -3.273 1.00 25.00 H new ATOM 0 HA TYR A 19 13.813 1.506 -2.171 1.00 25.00 H new ATOM 0 HB2 TYR A 19 13.837 -1.335 -1.052 1.00 25.00 H new ATOM 0 HB3 TYR A 19 13.067 0.043 -0.291 1.00 25.00 H new ATOM 0 HD1 TYR A 19 10.936 1.010 -1.234 1.00 25.00 H new ATOM 0 HD2 TYR A 19 12.842 -2.398 -3.036 1.00 25.00 H new ATOM 0 HE1 TYR A 19 8.870 0.550 -2.527 1.00 25.00 H new ATOM 0 HE2 TYR A 19 10.757 -2.853 -4.361 1.00 25.00 H new ATOM 0 HH TYR A 19 8.681 -2.181 -4.845 1.00 25.00 H new ATOM 289 N CYS A 20 16.742 0.493 -1.574 1.00 25.00 N ATOM 290 CA CYS A 20 17.974 0.719 -0.830 1.00 25.00 C ATOM 291 C CYS A 20 18.647 2.001 -1.352 1.00 25.00 C ATOM 292 O CYS A 20 19.322 2.010 -2.356 1.00 25.00 O ATOM 293 CB CYS A 20 18.938 -0.462 -0.992 1.00 25.00 C ATOM 294 SG CYS A 20 20.426 -0.320 -0.001 1.00 25.00 S ATOM 0 H CYS A 20 16.885 0.074 -2.493 1.00 25.00 H new ATOM 0 HA CYS A 20 17.730 0.821 0.227 1.00 25.00 H new ATOM 0 HB2 CYS A 20 18.419 -1.382 -0.723 1.00 25.00 H new ATOM 0 HB3 CYS A 20 19.218 -0.549 -2.042 1.00 25.00 H new ATOM 299 N ASN A 21 18.463 3.092 -0.601 1.00 25.00 N ATOM 300 CA ASN A 21 19.122 4.391 -0.930 1.00 25.00 C ATOM 301 C ASN A 21 20.618 4.376 -0.541 1.00 25.00 C ATOM 302 O ASN A 21 21.032 4.241 0.598 1.00 25.00 O ATOM 303 CB ASN A 21 18.376 5.553 -0.269 1.00 25.00 C ATOM 304 CG ASN A 21 18.650 6.823 -1.056 1.00 25.00 C ATOM 305 OD1 ASN A 21 19.646 7.020 -1.741 1.00 25.00 O ATOM 306 ND2 ASN A 21 17.734 7.771 -0.913 1.00 25.00 N ATOM 307 OXT ASN A 21 21.406 4.538 -1.557 1.00 25.00 O ATOM 0 H ASN A 21 17.874 3.117 0.231 1.00 25.00 H new ATOM 0 HA ASN A 21 19.075 4.535 -2.009 1.00 25.00 H new ATOM 0 HB2 ASN A 21 17.306 5.348 -0.244 1.00 25.00 H new ATOM 0 HB3 ASN A 21 18.702 5.672 0.764 1.00 25.00 H new ATOM 0 HD21 ASN A 21 17.856 8.672 -1.375 1.00 25.00 H new ATOM 0 HD22 ASN A 21 16.907 7.599 -0.341 1.00 25.00 H new TER 315 ASN A 21 ATOM 316 N PHE B 31 19.631 -16.411 -4.536 1.00 25.00 N ATOM 317 CA PHE B 31 18.428 -15.754 -3.949 1.00 25.00 C ATOM 318 C PHE B 31 17.212 -16.666 -3.822 1.00 25.00 C ATOM 319 O PHE B 31 16.682 -17.198 -4.765 1.00 25.00 O ATOM 320 CB PHE B 31 18.088 -14.508 -4.764 1.00 25.00 C ATOM 321 CG PHE B 31 16.986 -13.696 -4.141 1.00 25.00 C ATOM 322 CD1 PHE B 31 17.269 -12.699 -3.191 1.00 25.00 C ATOM 323 CD2 PHE B 31 15.643 -13.967 -4.488 1.00 25.00 C ATOM 324 CE1 PHE B 31 16.211 -11.986 -2.580 1.00 25.00 C ATOM 325 CE2 PHE B 31 14.614 -13.252 -3.868 1.00 25.00 C ATOM 326 CZ PHE B 31 14.899 -12.280 -2.932 1.00 25.00 C ATOM 0 HA PHE B 31 18.686 -15.484 -2.925 1.00 25.00 H new ATOM 0 HB2 PHE B 31 18.979 -13.889 -4.864 1.00 25.00 H new ATOM 0 HB3 PHE B 31 17.792 -14.805 -5.770 1.00 25.00 H new ATOM 0 HD1 PHE B 31 18.293 -12.478 -2.928 1.00 25.00 H new ATOM 0 HD2 PHE B 31 15.413 -14.721 -5.227 1.00 25.00 H new ATOM 0 HE1 PHE B 31 16.421 -11.221 -1.847 1.00 25.00 H new ATOM 0 HE2 PHE B 31 13.586 -13.463 -4.124 1.00 25.00 H new ATOM 0 HZ PHE B 31 14.090 -11.739 -2.465 1.00 25.00 H new ATOM 337 N VAL B 32 16.647 -16.724 -2.615 1.00 25.00 N ATOM 338 CA VAL B 32 15.451 -17.537 -2.363 1.00 25.00 C ATOM 339 C VAL B 32 14.200 -16.704 -2.550 1.00 25.00 C ATOM 340 O VAL B 32 13.822 -15.904 -1.672 1.00 25.00 O ATOM 341 CB VAL B 32 15.453 -18.113 -0.912 1.00 25.00 C ATOM 342 CG1 VAL B 32 14.779 -19.493 -0.873 1.00 25.00 C ATOM 343 CG2 VAL B 32 16.889 -18.223 -0.335 1.00 25.00 C ATOM 0 H VAL B 32 16.995 -16.221 -1.799 1.00 25.00 H new ATOM 0 HA VAL B 32 15.462 -18.362 -3.075 1.00 25.00 H new ATOM 0 HB VAL B 32 14.889 -17.415 -0.293 1.00 25.00 H new ATOM 0 HG11 VAL B 32 14.792 -19.875 0.148 1.00 25.00 H new ATOM 0 HG12 VAL B 32 13.748 -19.404 -1.214 1.00 25.00 H new ATOM 0 HG13 VAL B 32 15.319 -20.180 -1.525 1.00 25.00 H new ATOM 0 HG21 VAL B 32 16.845 -18.628 0.676 1.00 25.00 H new ATOM 0 HG22 VAL B 32 17.485 -18.884 -0.965 1.00 25.00 H new ATOM 0 HG23 VAL B 32 17.348 -17.235 -0.310 1.00 25.00 H new ATOM 353 N ASN B 33 13.500 -16.974 -3.657 1.00 25.00 N ATOM 354 CA ASN B 33 12.205 -16.369 -3.933 1.00 25.00 C ATOM 355 C ASN B 33 11.089 -16.913 -3.040 1.00 25.00 C ATOM 356 O ASN B 33 10.579 -18.018 -3.254 1.00 25.00 O ATOM 357 CB ASN B 33 11.869 -16.517 -5.444 1.00 25.00 C ATOM 358 CG ASN B 33 11.687 -17.978 -5.860 1.00 25.00 C ATOM 359 OD1 ASN B 33 12.503 -18.821 -5.544 1.00 25.00 O ATOM 360 ND2 ASN B 33 10.643 -18.279 -6.604 1.00 25.00 N ATOM 0 H ASN B 33 13.819 -17.617 -4.381 1.00 25.00 H new ATOM 0 HA ASN B 33 12.274 -15.309 -3.690 1.00 25.00 H new ATOM 0 HB2 ASN B 33 10.958 -15.962 -5.667 1.00 25.00 H new ATOM 0 HB3 ASN B 33 12.667 -16.070 -6.037 1.00 25.00 H new ATOM 0 HD21 ASN B 33 10.506 -19.237 -6.927 1.00 25.00 H new ATOM 0 HD22 ASN B 33 9.971 -17.555 -6.857 1.00 25.00 H new ATOM 367 N GLN B 34 10.718 -16.178 -2.004 1.00 25.00 N ATOM 368 CA GLN B 34 9.648 -16.595 -1.100 1.00 25.00 C ATOM 369 C GLN B 34 8.701 -15.445 -1.082 1.00 25.00 C ATOM 370 O GLN B 34 9.021 -14.375 -1.609 1.00 25.00 O ATOM 371 CB GLN B 34 10.187 -16.908 0.308 1.00 25.00 C ATOM 372 CG GLN B 34 10.804 -15.741 0.975 1.00 25.00 C ATOM 373 CD GLN B 34 11.030 -15.926 2.436 1.00 25.00 C ATOM 374 OE1 GLN B 34 10.130 -15.709 3.242 1.00 25.00 O ATOM 375 NE2 GLN B 34 12.229 -16.361 2.798 1.00 25.00 N ATOM 0 H GLN B 34 11.143 -15.283 -1.764 1.00 25.00 H new ATOM 0 HA GLN B 34 9.167 -17.515 -1.432 1.00 25.00 H new ATOM 0 HB2 GLN B 34 9.371 -17.281 0.927 1.00 25.00 H new ATOM 0 HB3 GLN B 34 10.924 -17.708 0.237 1.00 25.00 H new ATOM 0 HG2 GLN B 34 11.758 -15.524 0.495 1.00 25.00 H new ATOM 0 HG3 GLN B 34 10.166 -14.870 0.824 1.00 25.00 H new ATOM 0 HE21 GLN B 34 12.946 -16.527 2.092 1.00 25.00 H new ATOM 0 HE22 GLN B 34 12.435 -16.529 3.783 1.00 25.00 H new ATOM 384 N HIS B 35 7.586 -15.607 -0.394 1.00 25.00 N ATOM 385 CA HIS B 35 6.609 -14.523 -0.231 1.00 25.00 C ATOM 386 C HIS B 35 7.060 -13.543 0.857 1.00 25.00 C ATOM 387 O HIS B 35 6.870 -13.779 2.073 1.00 25.00 O ATOM 388 CB HIS B 35 5.227 -15.097 0.083 1.00 25.00 C ATOM 389 CG HIS B 35 4.547 -15.692 -1.116 1.00 25.00 C ATOM 390 ND1 HIS B 35 3.779 -14.924 -2.013 1.00 25.00 N ATOM 391 CD2 HIS B 35 4.472 -16.957 -1.586 1.00 25.00 C ATOM 392 CE1 HIS B 35 3.338 -15.722 -2.978 1.00 25.00 C ATOM 393 NE2 HIS B 35 3.733 -16.941 -2.722 1.00 25.00 N ATOM 0 H HIS B 35 7.325 -16.479 0.066 1.00 25.00 H new ATOM 0 HA HIS B 35 6.544 -13.971 -1.168 1.00 25.00 H new ATOM 0 HB2 HIS B 35 5.325 -15.862 0.854 1.00 25.00 H new ATOM 0 HB3 HIS B 35 4.598 -14.308 0.495 1.00 25.00 H new ATOM 0 HD2 HIS B 35 4.922 -17.829 -1.135 1.00 25.00 H new ATOM 0 HE1 HIS B 35 2.751 -15.415 -3.831 1.00 25.00 H new ATOM 0 HE2 HIS B 35 3.517 -17.759 -3.292 1.00 25.00 H new ATOM 402 N LEU B 36 7.566 -12.413 0.358 1.00 25.00 N ATOM 403 CA LEU B 36 7.963 -11.261 1.162 1.00 25.00 C ATOM 404 C LEU B 36 6.698 -10.482 1.505 1.00 25.00 C ATOM 405 O LEU B 36 6.370 -9.461 0.896 1.00 25.00 O ATOM 406 CB LEU B 36 8.968 -10.384 0.409 1.00 25.00 C ATOM 407 CG LEU B 36 10.470 -10.669 0.532 1.00 25.00 C ATOM 408 CD1 LEU B 36 10.830 -12.084 0.137 1.00 25.00 C ATOM 409 CD2 LEU B 36 11.282 -9.688 -0.289 1.00 25.00 C ATOM 0 H LEU B 36 7.714 -12.273 -0.642 1.00 25.00 H new ATOM 0 HA LEU B 36 8.460 -11.590 2.075 1.00 25.00 H new ATOM 0 HB2 LEU B 36 8.713 -10.433 -0.650 1.00 25.00 H new ATOM 0 HB3 LEU B 36 8.805 -9.355 0.729 1.00 25.00 H new ATOM 0 HG LEU B 36 10.715 -10.547 1.587 1.00 25.00 H new ATOM 0 HD11 LEU B 36 11.905 -12.229 0.244 1.00 25.00 H new ATOM 0 HD12 LEU B 36 10.303 -12.787 0.782 1.00 25.00 H new ATOM 0 HD13 LEU B 36 10.542 -12.257 -0.900 1.00 25.00 H new ATOM 0 HD21 LEU B 36 12.343 -9.915 -0.182 1.00 25.00 H new ATOM 0 HD22 LEU B 36 10.998 -9.769 -1.338 1.00 25.00 H new ATOM 0 HD23 LEU B 36 11.091 -8.674 0.062 1.00 25.00 H new ATOM 421 N CYS B 37 6.007 -10.990 2.499 1.00 25.00 N ATOM 422 CA CYS B 37 4.823 -10.361 3.035 1.00 25.00 C ATOM 423 C CYS B 37 5.088 -10.270 4.541 1.00 25.00 C ATOM 424 O CYS B 37 5.965 -10.987 5.064 1.00 25.00 O ATOM 425 CB CYS B 37 3.609 -11.280 2.814 1.00 25.00 C ATOM 426 SG CYS B 37 3.241 -11.643 1.074 1.00 25.00 S ATOM 0 H CYS B 37 6.255 -11.863 2.964 1.00 25.00 H new ATOM 0 HA CYS B 37 4.621 -9.396 2.571 1.00 25.00 H new ATOM 0 HB2 CYS B 37 3.781 -12.220 3.339 1.00 25.00 H new ATOM 0 HB3 CYS B 37 2.733 -10.817 3.268 1.00 25.00 H new ATOM 431 N GLY B 38 4.333 -9.443 5.248 1.00 25.00 N ATOM 432 CA GLY B 38 4.443 -9.444 6.701 1.00 25.00 C ATOM 433 C GLY B 38 5.848 -9.021 7.123 1.00 25.00 C ATOM 434 O GLY B 38 6.501 -8.210 6.486 1.00 25.00 O ATOM 0 H GLY B 38 3.659 -8.784 4.858 1.00 25.00 H new ATOM 0 HA2 GLY B 38 3.706 -8.764 7.129 1.00 25.00 H new ATOM 0 HA3 GLY B 38 4.223 -10.438 7.089 1.00 25.00 H new ATOM 438 N SER B 39 6.367 -9.650 8.176 1.00 25.00 N ATOM 439 CA SER B 39 7.705 -9.386 8.669 1.00 25.00 C ATOM 440 C SER B 39 8.743 -9.823 7.634 1.00 25.00 C ATOM 441 O SER B 39 9.820 -9.263 7.570 1.00 25.00 O ATOM 442 CB SER B 39 7.946 -10.130 9.997 1.00 25.00 C ATOM 443 OG SER B 39 9.107 -9.603 10.599 1.00 25.00 O ATOM 0 H SER B 39 5.864 -10.359 8.709 1.00 25.00 H new ATOM 0 HA SER B 39 7.804 -8.315 8.844 1.00 25.00 H new ATOM 0 HB2 SER B 39 7.088 -10.011 10.659 1.00 25.00 H new ATOM 0 HB3 SER B 39 8.064 -11.199 9.817 1.00 25.00 H new ATOM 0 HG SER B 39 9.274 -10.065 11.447 1.00 25.00 H new ATOM 449 N HIS B 40 8.437 -10.821 6.801 1.00 25.00 N ATOM 450 CA HIS B 40 9.437 -11.384 5.894 1.00 25.00 C ATOM 451 C HIS B 40 9.992 -10.314 4.934 1.00 25.00 C ATOM 452 O HIS B 40 11.176 -10.336 4.531 1.00 25.00 O ATOM 453 CB HIS B 40 8.868 -12.558 5.066 1.00 25.00 C ATOM 454 CG HIS B 40 8.424 -13.748 5.894 1.00 25.00 C ATOM 455 ND1 HIS B 40 7.780 -14.862 5.359 1.00 25.00 N ATOM 456 CD2 HIS B 40 8.592 -14.062 7.207 1.00 25.00 C ATOM 457 CE1 HIS B 40 7.543 -15.745 6.338 1.00 25.00 C ATOM 458 NE2 HIS B 40 8.016 -15.274 7.438 1.00 25.00 N ATOM 0 H HIS B 40 7.514 -11.251 6.737 1.00 25.00 H new ATOM 0 HA HIS B 40 10.245 -11.757 6.523 1.00 25.00 H new ATOM 0 HB2 HIS B 40 8.020 -12.199 4.483 1.00 25.00 H new ATOM 0 HB3 HIS B 40 9.626 -12.887 4.355 1.00 25.00 H new ATOM 0 HD2 HIS B 40 9.097 -13.453 7.942 1.00 25.00 H new ATOM 0 HE1 HIS B 40 7.039 -16.693 6.223 1.00 25.00 H new ATOM 0 HE2 HIS B 40 7.967 -15.738 8.345 1.00 25.00 H new ATOM 467 N LEU B 41 9.145 -9.347 4.573 1.00 25.00 N ATOM 468 CA LEU B 41 9.534 -8.288 3.636 1.00 25.00 C ATOM 469 C LEU B 41 10.659 -7.417 4.238 1.00 25.00 C ATOM 470 O LEU B 41 11.735 -7.229 3.649 1.00 25.00 O ATOM 471 CB LEU B 41 8.273 -7.476 3.308 1.00 25.00 C ATOM 472 CG LEU B 41 8.351 -6.225 2.432 1.00 25.00 C ATOM 473 CD1 LEU B 41 8.934 -6.553 1.069 1.00 25.00 C ATOM 474 CD2 LEU B 41 6.912 -5.627 2.339 1.00 25.00 C ATOM 0 H LEU B 41 8.187 -9.275 4.914 1.00 25.00 H new ATOM 0 HA LEU B 41 9.939 -8.707 2.715 1.00 25.00 H new ATOM 0 HB2 LEU B 41 7.569 -8.157 2.830 1.00 25.00 H new ATOM 0 HB3 LEU B 41 7.831 -7.175 4.258 1.00 25.00 H new ATOM 0 HG LEU B 41 9.021 -5.484 2.869 1.00 25.00 H new ATOM 0 HD11 LEU B 41 8.979 -5.647 0.465 1.00 25.00 H new ATOM 0 HD12 LEU B 41 9.939 -6.958 1.191 1.00 25.00 H new ATOM 0 HD13 LEU B 41 8.304 -7.290 0.571 1.00 25.00 H new ATOM 0 HD21 LEU B 41 6.930 -4.730 1.720 1.00 25.00 H new ATOM 0 HD22 LEU B 41 6.241 -6.362 1.895 1.00 25.00 H new ATOM 0 HD23 LEU B 41 6.559 -5.371 3.338 1.00 25.00 H new ATOM 486 N VAL B 42 10.415 -6.931 5.438 1.00 25.00 N ATOM 487 CA VAL B 42 11.344 -6.015 6.096 1.00 25.00 C ATOM 488 C VAL B 42 12.541 -6.794 6.647 1.00 25.00 C ATOM 489 O VAL B 42 13.644 -6.243 6.754 1.00 25.00 O ATOM 490 CB VAL B 42 10.639 -5.157 7.215 1.00 25.00 C ATOM 491 CG1 VAL B 42 9.662 -4.127 6.563 1.00 25.00 C ATOM 492 CG2 VAL B 42 9.856 -6.006 8.196 1.00 25.00 C ATOM 0 H VAL B 42 9.582 -7.151 5.984 1.00 25.00 H new ATOM 0 HA VAL B 42 11.705 -5.305 5.352 1.00 25.00 H new ATOM 0 HB VAL B 42 11.432 -4.649 7.763 1.00 25.00 H new ATOM 0 HG11 VAL B 42 9.179 -3.539 7.344 1.00 25.00 H new ATOM 0 HG12 VAL B 42 10.220 -3.464 5.902 1.00 25.00 H new ATOM 0 HG13 VAL B 42 8.904 -4.658 5.988 1.00 25.00 H new ATOM 0 HG21 VAL B 42 9.392 -5.363 8.944 1.00 25.00 H new ATOM 0 HG22 VAL B 42 9.083 -6.559 7.662 1.00 25.00 H new ATOM 0 HG23 VAL B 42 10.529 -6.708 8.688 1.00 25.00 H new ATOM 502 N GLU B 43 12.361 -8.094 6.853 1.00 25.00 N ATOM 503 CA GLU B 43 13.470 -8.964 7.263 1.00 25.00 C ATOM 504 C GLU B 43 14.478 -9.098 6.106 1.00 25.00 C ATOM 505 O GLU B 43 15.664 -8.912 6.276 1.00 25.00 O ATOM 506 CB GLU B 43 12.993 -10.367 7.640 1.00 25.00 C ATOM 507 CG GLU B 43 12.523 -10.518 9.100 1.00 25.00 C ATOM 508 CD GLU B 43 11.893 -11.850 9.356 1.00 25.00 C ATOM 509 OE1 GLU B 43 10.783 -12.134 9.073 1.00 25.00 O ATOM 510 OE2 GLU B 43 12.693 -12.710 9.871 1.00 25.00 O ATOM 0 H GLU B 43 11.466 -8.571 6.745 1.00 25.00 H new ATOM 0 HA GLU B 43 13.931 -8.505 8.137 1.00 25.00 H new ATOM 0 HB2 GLU B 43 12.173 -10.647 6.978 1.00 25.00 H new ATOM 0 HB3 GLU B 43 13.804 -11.072 7.459 1.00 25.00 H new ATOM 0 HG2 GLU B 43 13.373 -10.386 9.769 1.00 25.00 H new ATOM 0 HG3 GLU B 43 11.808 -9.729 9.333 1.00 25.00 H new ATOM 518 N ALA B 44 13.949 -9.427 4.938 1.00 25.00 N ATOM 519 CA ALA B 44 14.806 -9.613 3.778 1.00 25.00 C ATOM 520 C ALA B 44 15.497 -8.308 3.405 1.00 25.00 C ATOM 521 O ALA B 44 16.695 -8.291 3.093 1.00 25.00 O ATOM 522 CB ALA B 44 13.968 -10.123 2.600 1.00 25.00 C ATOM 0 H ALA B 44 12.953 -9.568 4.769 1.00 25.00 H new ATOM 0 HA ALA B 44 15.574 -10.347 4.021 1.00 25.00 H new ATOM 0 HB1 ALA B 44 14.610 -10.263 1.730 1.00 25.00 H new ATOM 0 HB2 ALA B 44 13.506 -11.074 2.867 1.00 25.00 H new ATOM 0 HB3 ALA B 44 13.191 -9.396 2.364 1.00 25.00 H new ATOM 528 N LEU B 45 14.755 -7.209 3.427 1.00 25.00 N ATOM 529 CA LEU B 45 15.316 -5.906 3.101 1.00 25.00 C ATOM 530 C LEU B 45 16.404 -5.539 4.108 1.00 25.00 C ATOM 531 O LEU B 45 17.421 -4.961 3.719 1.00 25.00 O ATOM 532 CB LEU B 45 14.163 -4.875 3.075 1.00 25.00 C ATOM 533 CG LEU B 45 14.345 -3.725 2.055 1.00 25.00 C ATOM 534 CD1 LEU B 45 13.023 -2.971 1.947 1.00 25.00 C ATOM 535 CD2 LEU B 45 15.485 -2.731 2.368 1.00 25.00 C ATOM 0 H LEU B 45 13.764 -7.194 3.667 1.00 25.00 H new ATOM 0 HA LEU B 45 15.790 -5.919 2.119 1.00 25.00 H new ATOM 0 HB2 LEU B 45 13.233 -5.397 2.851 1.00 25.00 H new ATOM 0 HB3 LEU B 45 14.056 -4.445 4.071 1.00 25.00 H new ATOM 0 HG LEU B 45 14.637 -4.194 1.115 1.00 25.00 H new ATOM 0 HD11 LEU B 45 13.127 -2.154 1.233 1.00 25.00 H new ATOM 0 HD12 LEU B 45 12.242 -3.652 1.608 1.00 25.00 H new ATOM 0 HD13 LEU B 45 12.754 -2.567 2.923 1.00 25.00 H new ATOM 0 HD21 LEU B 45 15.525 -1.967 1.592 1.00 25.00 H new ATOM 0 HD22 LEU B 45 15.301 -2.259 3.333 1.00 25.00 H new ATOM 0 HD23 LEU B 45 16.435 -3.265 2.401 1.00 25.00 H new ATOM 547 N TYR B 46 16.196 -5.815 5.394 1.00 25.00 N ATOM 548 CA TYR B 46 17.208 -5.513 6.383 1.00 25.00 C ATOM 549 C TYR B 46 18.484 -6.356 6.134 1.00 25.00 C ATOM 550 O TYR B 46 19.587 -5.874 6.220 1.00 25.00 O ATOM 551 CB TYR B 46 16.697 -5.781 7.809 1.00 25.00 C ATOM 552 CG TYR B 46 17.740 -5.572 8.881 1.00 25.00 C ATOM 553 CD1 TYR B 46 18.060 -4.282 9.344 1.00 25.00 C ATOM 554 CD2 TYR B 46 18.453 -6.671 9.408 1.00 25.00 C ATOM 555 CE1 TYR B 46 19.081 -4.104 10.343 1.00 25.00 C ATOM 556 CE2 TYR B 46 19.452 -6.498 10.392 1.00 25.00 C ATOM 557 CZ TYR B 46 19.759 -5.197 10.851 1.00 25.00 C ATOM 558 OH TYR B 46 20.752 -5.060 11.772 1.00 25.00 O ATOM 0 H TYR B 46 15.346 -6.241 5.764 1.00 25.00 H new ATOM 0 HA TYR B 46 17.446 -4.453 6.288 1.00 25.00 H new ATOM 0 HB2 TYR B 46 15.848 -5.127 8.009 1.00 25.00 H new ATOM 0 HB3 TYR B 46 16.331 -6.806 7.867 1.00 25.00 H new ATOM 0 HD1 TYR B 46 17.538 -3.423 8.949 1.00 25.00 H new ATOM 0 HD2 TYR B 46 18.230 -7.666 9.051 1.00 25.00 H new ATOM 0 HE1 TYR B 46 19.319 -3.112 10.698 1.00 25.00 H new ATOM 0 HE2 TYR B 46 19.977 -7.354 10.790 1.00 25.00 H new ATOM 0 HH TYR B 46 21.105 -5.944 12.006 1.00 25.00 H new ATOM 568 N LEU B 47 18.303 -7.633 5.843 1.00 25.00 N ATOM 569 CA LEU B 47 19.456 -8.544 5.636 1.00 25.00 C ATOM 570 C LEU B 47 20.297 -8.149 4.421 1.00 25.00 C ATOM 571 O LEU B 47 21.502 -8.334 4.421 1.00 25.00 O ATOM 572 CB LEU B 47 18.954 -9.985 5.462 1.00 25.00 C ATOM 573 CG LEU B 47 18.423 -10.662 6.708 1.00 25.00 C ATOM 574 CD1 LEU B 47 17.710 -11.945 6.266 1.00 25.00 C ATOM 575 CD2 LEU B 47 19.448 -10.942 7.731 1.00 25.00 C ATOM 0 H LEU B 47 17.389 -8.074 5.742 1.00 25.00 H new ATOM 0 HA LEU B 47 20.092 -8.468 6.518 1.00 25.00 H new ATOM 0 HB2 LEU B 47 18.165 -9.985 4.710 1.00 25.00 H new ATOM 0 HB3 LEU B 47 19.772 -10.587 5.067 1.00 25.00 H new ATOM 0 HG LEU B 47 17.736 -9.976 7.203 1.00 25.00 H new ATOM 0 HD11 LEU B 47 17.313 -12.461 7.141 1.00 25.00 H new ATOM 0 HD12 LEU B 47 16.892 -11.693 5.591 1.00 25.00 H new ATOM 0 HD13 LEU B 47 18.417 -12.595 5.751 1.00 25.00 H new ATOM 0 HD21 LEU B 47 18.983 -11.427 8.589 1.00 25.00 H new ATOM 0 HD22 LEU B 47 20.210 -11.599 7.312 1.00 25.00 H new ATOM 0 HD23 LEU B 47 19.910 -10.007 8.049 1.00 25.00 H new ATOM 587 N VAL B 48 19.640 -7.668 3.371 1.00 25.00 N ATOM 588 CA VAL B 48 20.314 -7.321 2.121 1.00 25.00 C ATOM 589 C VAL B 48 20.857 -5.872 2.115 1.00 25.00 C ATOM 590 O VAL B 48 21.903 -5.582 1.475 1.00 25.00 O ATOM 591 CB VAL B 48 19.369 -7.626 0.901 1.00 25.00 C ATOM 592 CG1 VAL B 48 18.289 -6.580 0.728 1.00 25.00 C ATOM 593 CG2 VAL B 48 20.160 -7.769 -0.368 1.00 25.00 C ATOM 0 H VAL B 48 18.633 -7.508 3.360 1.00 25.00 H new ATOM 0 HA VAL B 48 21.199 -7.950 2.027 1.00 25.00 H new ATOM 0 HB VAL B 48 18.874 -8.572 1.121 1.00 25.00 H new ATOM 0 HG11 VAL B 48 17.665 -6.839 -0.128 1.00 25.00 H new ATOM 0 HG12 VAL B 48 17.674 -6.540 1.627 1.00 25.00 H new ATOM 0 HG13 VAL B 48 18.749 -5.606 0.560 1.00 25.00 H new ATOM 0 HG21 VAL B 48 19.484 -7.980 -1.197 1.00 25.00 H new ATOM 0 HG22 VAL B 48 20.700 -6.843 -0.567 1.00 25.00 H new ATOM 0 HG23 VAL B 48 20.871 -8.588 -0.263 1.00 25.00 H new ATOM 603 N CYS B 49 20.180 -4.956 2.803 1.00 25.00 N ATOM 604 CA CYS B 49 20.570 -3.520 2.753 1.00 25.00 C ATOM 605 C CYS B 49 20.244 -2.688 3.992 1.00 25.00 C ATOM 606 O CYS B 49 20.118 -1.464 3.933 1.00 25.00 O ATOM 607 CB CYS B 49 19.910 -2.865 1.543 1.00 25.00 C ATOM 608 SG CYS B 49 21.077 -2.192 0.289 1.00 25.00 S ATOM 0 H CYS B 49 19.374 -5.160 3.394 1.00 25.00 H new ATOM 0 HA CYS B 49 21.658 -3.531 2.691 1.00 25.00 H new ATOM 0 HB2 CYS B 49 19.264 -3.598 1.060 1.00 25.00 H new ATOM 0 HB3 CYS B 49 19.269 -2.056 1.892 1.00 25.00 H new ATOM 613 N GLY B 50 20.041 -3.322 5.140 1.00 25.00 N ATOM 614 CA GLY B 50 19.711 -2.613 6.368 1.00 25.00 C ATOM 615 C GLY B 50 20.940 -2.037 7.037 1.00 25.00 C ATOM 616 O GLY B 50 21.034 -2.059 8.267 1.00 25.00 O ATOM 0 H GLY B 50 20.100 -4.335 5.245 1.00 25.00 H new ATOM 0 HA2 GLY B 50 19.009 -1.809 6.145 1.00 25.00 H new ATOM 0 HA3 GLY B 50 19.209 -3.293 7.056 1.00 25.00 H new ATOM 620 N GLU B 51 21.842 -1.479 6.258 1.00 25.00 N ATOM 621 CA GLU B 51 23.118 -0.920 6.754 1.00 25.00 C ATOM 622 C GLU B 51 22.881 0.235 7.721 1.00 25.00 C ATOM 623 O GLU B 51 23.586 0.367 8.701 1.00 25.00 O ATOM 624 CB GLU B 51 24.040 -0.452 5.610 1.00 25.00 C ATOM 625 CG GLU B 51 24.586 -1.580 4.715 1.00 25.00 C ATOM 626 CD GLU B 51 25.569 -1.060 3.707 1.00 25.00 C ATOM 627 OE1 GLU B 51 25.734 0.099 3.433 1.00 25.00 O ATOM 628 OE2 GLU B 51 26.311 -1.994 3.196 1.00 25.00 O ATOM 0 H GLU B 51 21.725 -1.391 5.249 1.00 25.00 H new ATOM 0 HA GLU B 51 23.618 -1.732 7.281 1.00 25.00 H new ATOM 0 HB2 GLU B 51 23.491 0.254 4.986 1.00 25.00 H new ATOM 0 HB3 GLU B 51 24.882 0.091 6.040 1.00 25.00 H new ATOM 0 HG2 GLU B 51 25.066 -2.337 5.335 1.00 25.00 H new ATOM 0 HG3 GLU B 51 23.759 -2.068 4.199 1.00 25.00 H new ATOM 636 N GLN B 52 21.889 1.063 7.459 1.00 25.00 N ATOM 637 CA GLN B 52 21.529 2.166 8.379 1.00 25.00 C ATOM 638 C GLN B 52 20.701 1.608 9.552 1.00 25.00 C ATOM 639 O GLN B 52 20.679 2.162 10.648 1.00 25.00 O ATOM 640 CB GLN B 52 20.660 3.174 7.625 1.00 25.00 C ATOM 641 CG GLN B 52 21.390 3.876 6.455 1.00 25.00 C ATOM 642 CD GLN B 52 21.833 5.296 6.845 1.00 25.00 C ATOM 643 OE1 GLN B 52 22.378 5.533 7.943 1.00 25.00 O ATOM 644 NE2 GLN B 52 21.556 6.245 5.988 1.00 25.00 N ATOM 0 H GLN B 52 21.308 1.007 6.622 1.00 25.00 H new ATOM 0 HA GLN B 52 22.438 2.638 8.751 1.00 25.00 H new ATOM 0 HB2 GLN B 52 19.780 2.662 7.237 1.00 25.00 H new ATOM 0 HB3 GLN B 52 20.306 3.930 8.326 1.00 25.00 H new ATOM 0 HG2 GLN B 52 22.260 3.289 6.162 1.00 25.00 H new ATOM 0 HG3 GLN B 52 20.731 3.923 5.588 1.00 25.00 H new ATOM 0 HE21 GLN B 52 21.110 6.016 5.100 1.00 25.00 H new ATOM 0 HE22 GLN B 52 21.786 7.214 6.208 1.00 25.00 H new ATOM 653 N GLY B 53 20.000 0.526 9.245 1.00 25.00 N ATOM 654 CA GLY B 53 19.067 -0.075 10.153 1.00 25.00 C ATOM 655 C GLY B 53 17.641 0.392 9.866 1.00 25.00 C ATOM 656 O GLY B 53 17.396 1.396 9.199 1.00 25.00 O ATOM 0 H GLY B 53 20.072 0.046 8.348 1.00 25.00 H new ATOM 0 HA2 GLY B 53 19.121 -1.160 10.069 1.00 25.00 H new ATOM 0 HA3 GLY B 53 19.337 0.180 11.178 1.00 25.00 H new ATOM 660 N PHE B 54 16.695 -0.398 10.335 1.00 25.00 N ATOM 661 CA PHE B 54 15.301 -0.105 10.098 1.00 25.00 C ATOM 662 C PHE B 54 14.631 0.767 11.176 1.00 25.00 C ATOM 663 O PHE B 54 13.543 1.284 10.985 1.00 25.00 O ATOM 664 CB PHE B 54 14.577 -1.451 9.984 1.00 25.00 C ATOM 665 CG PHE B 54 14.036 -1.676 8.593 1.00 25.00 C ATOM 666 CD1 PHE B 54 12.763 -1.173 8.287 1.00 25.00 C ATOM 667 CD2 PHE B 54 14.793 -2.342 7.617 1.00 25.00 C ATOM 668 CE1 PHE B 54 12.225 -1.321 7.003 1.00 25.00 C ATOM 669 CE2 PHE B 54 14.275 -2.503 6.324 1.00 25.00 C ATOM 670 CZ PHE B 54 12.967 -1.990 6.001 1.00 25.00 C ATOM 0 H PHE B 54 16.868 -1.243 10.879 1.00 25.00 H new ATOM 0 HA PHE B 54 15.234 0.489 9.187 1.00 25.00 H new ATOM 0 HB2 PHE B 54 15.264 -2.257 10.242 1.00 25.00 H new ATOM 0 HB3 PHE B 54 13.759 -1.487 10.703 1.00 25.00 H new ATOM 0 HD1 PHE B 54 12.191 -0.666 9.050 1.00 25.00 H new ATOM 0 HD2 PHE B 54 15.771 -2.729 7.861 1.00 25.00 H new ATOM 0 HE1 PHE B 54 11.246 -0.925 6.778 1.00 25.00 H new ATOM 0 HE2 PHE B 54 14.856 -3.012 5.569 1.00 25.00 H new ATOM 0 HZ PHE B 54 12.559 -2.115 5.009 1.00 25.00 H new ATOM 680 N PHE B 55 15.316 0.970 12.298 1.00 25.00 N ATOM 681 CA PHE B 55 14.808 1.768 13.448 1.00 25.00 C ATOM 682 C PHE B 55 13.363 1.386 13.867 1.00 25.00 C ATOM 683 O PHE B 55 12.530 2.237 14.165 1.00 25.00 O ATOM 684 CB PHE B 55 14.927 3.268 13.099 1.00 25.00 C ATOM 685 CG PHE B 55 14.909 4.173 14.328 1.00 25.00 C ATOM 686 CD1 PHE B 55 15.827 3.972 15.375 1.00 25.00 C ATOM 687 CD2 PHE B 55 13.975 5.225 14.437 1.00 25.00 C ATOM 688 CE1 PHE B 55 15.852 4.840 16.517 1.00 25.00 C ATOM 689 CE2 PHE B 55 13.974 6.100 15.565 1.00 25.00 C ATOM 690 CZ PHE B 55 14.931 5.896 16.598 1.00 25.00 C ATOM 0 H PHE B 55 16.249 0.589 12.452 1.00 25.00 H new ATOM 0 HA PHE B 55 15.422 1.542 14.320 1.00 25.00 H new ATOM 0 HB2 PHE B 55 15.852 3.434 12.547 1.00 25.00 H new ATOM 0 HB3 PHE B 55 14.107 3.547 12.438 1.00 25.00 H new ATOM 0 HD1 PHE B 55 16.525 3.150 15.318 1.00 25.00 H new ATOM 0 HD2 PHE B 55 13.247 5.371 13.652 1.00 25.00 H new ATOM 0 HE1 PHE B 55 16.572 4.682 17.306 1.00 25.00 H new ATOM 0 HE2 PHE B 55 13.257 6.905 15.633 1.00 25.00 H new ATOM 0 HZ PHE B 55 14.949 6.559 17.451 1.00 25.00 H new ATOM 700 N TYR B 56 13.081 0.080 13.881 1.00 25.00 N ATOM 701 CA TYR B 56 11.750 -0.414 14.210 1.00 25.00 C ATOM 702 C TYR B 56 11.936 -1.513 15.232 1.00 25.00 C ATOM 703 O TYR B 56 12.907 -2.266 15.152 1.00 25.00 O ATOM 704 CB TYR B 56 11.035 -0.969 12.958 1.00 25.00 C ATOM 705 CG TYR B 56 9.676 -1.601 13.259 1.00 25.00 C ATOM 706 CD1 TYR B 56 8.552 -0.809 13.523 1.00 25.00 C ATOM 707 CD2 TYR B 56 9.521 -3.010 13.309 1.00 25.00 C ATOM 708 CE1 TYR B 56 7.287 -1.385 13.825 1.00 25.00 C ATOM 709 CE2 TYR B 56 8.273 -3.584 13.606 1.00 25.00 C ATOM 710 CZ TYR B 56 7.158 -2.783 13.866 1.00 25.00 C ATOM 711 OH TYR B 56 5.958 -3.390 14.110 1.00 25.00 O ATOM 0 H TYR B 56 13.760 -0.651 13.668 1.00 25.00 H new ATOM 0 HA TYR B 56 11.130 0.393 14.600 1.00 25.00 H new ATOM 0 HB2 TYR B 56 10.899 -0.161 12.239 1.00 25.00 H new ATOM 0 HB3 TYR B 56 11.675 -1.713 12.484 1.00 25.00 H new ATOM 0 HD1 TYR B 56 8.648 0.266 13.497 1.00 25.00 H new ATOM 0 HD2 TYR B 56 10.371 -3.648 13.117 1.00 25.00 H new ATOM 0 HE1 TYR B 56 6.433 -0.753 14.021 1.00 25.00 H new ATOM 0 HE2 TYR B 56 8.174 -4.659 13.634 1.00 25.00 H new ATOM 0 HH TYR B 56 6.075 -4.363 14.096 1.00 25.00 H new ATOM 721 N THR B 57 10.990 -1.613 16.164 1.00 25.00 N ATOM 722 CA THR B 57 11.073 -2.571 17.295 1.00 25.00 C ATOM 723 C THR B 57 9.941 -3.586 17.323 1.00 25.00 C ATOM 724 O THR B 57 8.895 -3.337 17.938 1.00 25.00 O ATOM 725 CB THR B 57 11.064 -1.807 18.685 1.00 25.00 C ATOM 726 OG1 THR B 57 9.936 -0.926 18.712 1.00 25.00 O ATOM 727 CG2 THR B 57 12.303 -0.963 18.848 1.00 25.00 C ATOM 0 H THR B 57 10.145 -1.042 16.168 1.00 25.00 H new ATOM 0 HA THR B 57 12.010 -3.105 17.140 1.00 25.00 H new ATOM 0 HB THR B 57 11.022 -2.547 19.484 1.00 25.00 H new ATOM 0 HG1 THR B 57 9.130 -1.419 18.451 1.00 25.00 H new ATOM 0 HG21 THR B 57 12.270 -0.451 19.809 1.00 25.00 H new ATOM 0 HG22 THR B 57 13.186 -1.601 18.807 1.00 25.00 H new ATOM 0 HG23 THR B 57 12.350 -0.227 18.046 1.00 25.00 H new ATOM 735 N PRO B 58 10.137 -4.749 16.711 1.00 25.00 N ATOM 736 CA PRO B 58 9.068 -5.755 16.699 1.00 25.00 C ATOM 737 C PRO B 58 8.872 -6.502 18.035 1.00 25.00 C ATOM 738 O PRO B 58 9.817 -6.716 18.819 1.00 25.00 O ATOM 739 CB PRO B 58 9.525 -6.723 15.615 1.00 25.00 C ATOM 740 CG PRO B 58 11.005 -6.638 15.614 1.00 25.00 C ATOM 741 CD PRO B 58 11.333 -5.209 15.957 1.00 25.00 C ATOM 0 HA PRO B 58 8.099 -5.288 16.524 1.00 25.00 H new ATOM 0 HB2 PRO B 58 9.189 -7.738 15.827 1.00 25.00 H new ATOM 0 HB3 PRO B 58 9.114 -6.448 14.643 1.00 25.00 H new ATOM 0 HG2 PRO B 58 11.437 -7.324 16.343 1.00 25.00 H new ATOM 0 HG3 PRO B 58 11.412 -6.910 14.640 1.00 25.00 H new ATOM 0 HD2 PRO B 58 12.239 -5.139 16.559 1.00 25.00 H new ATOM 0 HD3 PRO B 58 11.498 -4.609 15.062 1.00 25.00 H new ATOM 749 N LYS B 59 7.636 -6.955 18.295 1.00 25.00 N ATOM 750 CA LYS B 59 7.354 -7.801 19.449 1.00 25.00 C ATOM 751 C LYS B 59 6.342 -8.853 19.001 1.00 25.00 C ATOM 752 O LYS B 59 5.229 -8.506 18.555 1.00 25.00 O ATOM 753 CB LYS B 59 6.779 -6.998 20.610 1.00 25.00 C ATOM 754 CG LYS B 59 6.782 -7.748 21.974 1.00 25.00 C ATOM 755 CD LYS B 59 6.170 -6.934 23.086 1.00 25.00 C ATOM 756 CE LYS B 59 6.451 -7.594 24.404 1.00 25.00 C ATOM 757 NZ LYS B 59 5.866 -6.787 25.577 1.00 25.00 N ATOM 0 H LYS B 59 6.821 -6.746 17.718 1.00 25.00 H new ATOM 0 HA LYS B 59 8.279 -8.258 19.802 1.00 25.00 H new ATOM 0 HB2 LYS B 59 7.349 -6.075 20.715 1.00 25.00 H new ATOM 0 HB3 LYS B 59 5.755 -6.714 20.368 1.00 25.00 H new ATOM 0 HG2 LYS B 59 6.234 -8.684 21.870 1.00 25.00 H new ATOM 0 HG3 LYS B 59 7.807 -8.006 22.240 1.00 25.00 H new ATOM 0 HD2 LYS B 59 6.579 -5.924 23.079 1.00 25.00 H new ATOM 0 HD3 LYS B 59 5.094 -6.843 22.935 1.00 25.00 H new ATOM 0 HE2 LYS B 59 6.028 -8.599 24.406 1.00 25.00 H new ATOM 0 HE3 LYS B 59 7.528 -7.701 24.536 1.00 25.00 H new ATOM 0 HZ1 LYS B 59 6.079 -7.272 26.472 1.00 25.00 H new ATOM 0 HZ2 LYS B 59 6.288 -5.837 25.589 1.00 25.00 H new ATOM 0 HZ3 LYS B 59 4.835 -6.707 25.463 1.00 25.00 H new ATOM 771 N THR B 60 6.752 -10.144 19.099 1.00 25.00 N ATOM 772 CA THR B 60 5.873 -11.304 18.794 1.00 25.00 C ATOM 773 C THR B 60 5.095 -11.165 17.466 1.00 25.00 C ATOM 774 O THR B 60 5.543 -11.562 16.405 1.00 25.00 O ATOM 775 CB THR B 60 4.950 -11.734 19.974 1.00 25.00 C ATOM 776 OG1 THR B 60 4.182 -10.598 20.434 1.00 25.00 O ATOM 777 CG2 THR B 60 5.747 -12.236 21.193 1.00 25.00 C ATOM 778 OXT THR B 60 3.851 -10.640 17.526 1.00 25.00 O ATOM 0 H THR B 60 7.693 -10.409 19.389 1.00 25.00 H new ATOM 0 HA THR B 60 6.572 -12.128 18.651 1.00 25.00 H new ATOM 0 HB THR B 60 4.319 -12.536 19.590 1.00 25.00 H new ATOM 0 HG1 THR B 60 3.765 -10.153 19.667 1.00 25.00 H new ATOM 0 HG21 THR B 60 5.057 -12.523 21.986 1.00 25.00 H new ATOM 0 HG22 THR B 60 6.347 -13.099 20.905 1.00 25.00 H new ATOM 0 HG23 THR B 60 6.402 -11.442 21.552 1.00 25.00 H new TER 787 THR B 60