USER MOD reduce.3.24.130724 H: found=0, std=0, add=381, rem=0, adj=13 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: A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 27 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 6 GLN : amide:sc= 0.136 K(o=0.27,f=-0.48) USER MOD Set 2.2: A 36 TYR OH : rot 180:sc= 0.132 USER MOD Single : A 1 ALA N :NH3+ 128:sc= 0.0589 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -175:sc= 1.2 (180deg=1.18) USER MOD Single : A 7 SER OG : rot -1:sc= 0.47 USER MOD Single : A 9 ASN : amide:sc= 1.08 K(o=1.1,f=-4.8!) USER MOD Single : A 11 ASN : amide:sc= 1.19 K(o=1.2,f=-0.38) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -108:sc= 0.00899 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0.0269 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 78:sc= -0.046 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -7.558 -4.682 2.374 1.00 10.00 N ATOM 2 CA ALA A 1 -6.156 -5.153 2.304 1.00 10.00 C ATOM 3 C ALA A 1 -5.683 -5.255 0.847 1.00 10.00 C ATOM 4 O ALA A 1 -6.501 -5.373 -0.071 1.00 10.00 O ATOM 5 CB ALA A 1 -5.983 -6.504 3.023 1.00 10.00 C ATOM 0 H1 ALA A 1 -8.114 -5.334 2.964 1.00 10.00 H new ATOM 0 H2 ALA A 1 -7.584 -3.730 2.791 1.00 10.00 H new ATOM 0 H3 ALA A 1 -7.962 -4.652 1.416 1.00 10.00 H new ATOM 0 HA ALA A 1 -5.536 -4.417 2.816 1.00 10.00 H new ATOM 0 HB1 ALA A 1 -4.943 -6.823 2.954 1.00 10.00 H new ATOM 0 HB2 ALA A 1 -6.260 -6.396 4.072 1.00 10.00 H new ATOM 0 HB3 ALA A 1 -6.623 -7.251 2.553 1.00 10.00 H new ATOM 13 N ILE A 2 -4.363 -5.215 0.622 1.00 10.00 N ATOM 14 CA ILE A 2 -3.768 -5.446 -0.698 1.00 10.00 C ATOM 15 C ILE A 2 -4.047 -6.874 -1.199 1.00 10.00 C ATOM 16 O ILE A 2 -4.394 -7.774 -0.427 1.00 10.00 O ATOM 17 CB ILE A 2 -2.245 -5.139 -0.696 1.00 10.00 C ATOM 18 CG1 ILE A 2 -1.482 -5.901 0.413 1.00 10.00 C ATOM 19 CG2 ILE A 2 -2.014 -3.622 -0.585 1.00 10.00 C ATOM 20 CD1 ILE A 2 0.042 -5.887 0.230 1.00 10.00 C ATOM 0 H ILE A 2 -3.678 -5.021 1.352 1.00 10.00 H new ATOM 0 HA ILE A 2 -4.243 -4.754 -1.394 1.00 10.00 H new ATOM 0 HB ILE A 2 -1.840 -5.495 -1.643 1.00 10.00 H new ATOM 0 HG12 ILE A 2 -1.728 -5.461 1.380 1.00 10.00 H new ATOM 0 HG13 ILE A 2 -1.827 -6.935 0.436 1.00 10.00 H new ATOM 0 HG21 ILE A 2 -0.944 -3.416 -0.584 1.00 10.00 H new ATOM 0 HG22 ILE A 2 -2.480 -3.120 -1.433 1.00 10.00 H new ATOM 0 HG23 ILE A 2 -2.455 -3.254 0.341 1.00 10.00 H new ATOM 0 HD11 ILE A 2 0.511 -6.440 1.044 1.00 10.00 H new ATOM 0 HD12 ILE A 2 0.299 -6.354 -0.721 1.00 10.00 H new ATOM 0 HD13 ILE A 2 0.400 -4.857 0.237 1.00 10.00 H new ATOM 32 N LYS A 3 -3.810 -7.086 -2.495 1.00 10.00 N ATOM 33 CA LYS A 3 -3.742 -8.377 -3.164 1.00 10.00 C ATOM 34 C LYS A 3 -2.457 -8.379 -3.993 1.00 10.00 C ATOM 35 O LYS A 3 -1.904 -7.319 -4.301 1.00 10.00 O ATOM 36 CB LYS A 3 -4.982 -8.601 -4.058 1.00 10.00 C ATOM 37 CG LYS A 3 -6.298 -8.645 -3.260 1.00 10.00 C ATOM 38 CD LYS A 3 -7.530 -9.017 -4.106 1.00 10.00 C ATOM 39 CE LYS A 3 -7.473 -10.475 -4.596 1.00 10.00 C ATOM 40 NZ LYS A 3 -8.762 -10.951 -5.157 1.00 10.00 N ATOM 0 H LYS A 3 -3.652 -6.312 -3.140 1.00 10.00 H new ATOM 0 HA LYS A 3 -3.732 -9.190 -2.438 1.00 10.00 H new ATOM 0 HB2 LYS A 3 -5.039 -7.803 -4.798 1.00 10.00 H new ATOM 0 HB3 LYS A 3 -4.864 -9.536 -4.606 1.00 10.00 H new ATOM 0 HG2 LYS A 3 -6.195 -9.366 -2.449 1.00 10.00 H new ATOM 0 HG3 LYS A 3 -6.466 -7.671 -2.801 1.00 10.00 H new ATOM 0 HD2 LYS A 3 -8.434 -8.868 -3.515 1.00 10.00 H new ATOM 0 HD3 LYS A 3 -7.596 -8.348 -4.964 1.00 10.00 H new ATOM 0 HE2 LYS A 3 -6.697 -10.567 -5.356 1.00 10.00 H new ATOM 0 HE3 LYS A 3 -7.184 -11.120 -3.766 1.00 10.00 H new ATOM 0 HZ1 LYS A 3 -8.687 -11.961 -5.391 1.00 10.00 H new ATOM 0 HZ2 LYS A 3 -9.518 -10.814 -4.456 1.00 10.00 H new ATOM 0 HZ3 LYS A 3 -8.986 -10.412 -6.018 1.00 10.00 H new ATOM 54 N LEU A 4 -2.000 -9.568 -4.375 1.00 10.00 N ATOM 55 CA LEU A 4 -0.893 -9.747 -5.308 1.00 10.00 C ATOM 56 C LEU A 4 -1.518 -10.292 -6.584 1.00 10.00 C ATOM 57 O LEU A 4 -2.386 -11.166 -6.517 1.00 10.00 O ATOM 58 CB LEU A 4 0.164 -10.709 -4.737 1.00 10.00 C ATOM 59 CG LEU A 4 0.811 -10.236 -3.419 1.00 10.00 C ATOM 60 CD1 LEU A 4 1.855 -11.260 -2.966 1.00 10.00 C ATOM 61 CD2 LEU A 4 1.464 -8.853 -3.541 1.00 10.00 C ATOM 0 H LEU A 4 -2.394 -10.447 -4.040 1.00 10.00 H new ATOM 0 HA LEU A 4 -0.368 -8.811 -5.495 1.00 10.00 H new ATOM 0 HB2 LEU A 4 -0.299 -11.682 -4.571 1.00 10.00 H new ATOM 0 HB3 LEU A 4 0.947 -10.852 -5.481 1.00 10.00 H new ATOM 0 HG LEU A 4 0.014 -10.150 -2.680 1.00 10.00 H new ATOM 0 HD11 LEU A 4 2.312 -10.926 -2.035 1.00 10.00 H new ATOM 0 HD12 LEU A 4 1.373 -12.225 -2.808 1.00 10.00 H new ATOM 0 HD13 LEU A 4 2.624 -11.359 -3.732 1.00 10.00 H new ATOM 0 HD21 LEU A 4 1.903 -8.572 -2.584 1.00 10.00 H new ATOM 0 HD22 LEU A 4 2.244 -8.885 -4.302 1.00 10.00 H new ATOM 0 HD23 LEU A 4 0.710 -8.118 -3.824 1.00 10.00 H new ATOM 73 N VAL A 5 -1.126 -9.749 -7.735 1.00 10.00 N ATOM 74 CA VAL A 5 -1.871 -9.919 -8.981 1.00 10.00 C ATOM 75 C VAL A 5 -0.869 -10.108 -10.120 1.00 10.00 C ATOM 76 O VAL A 5 0.225 -9.541 -10.075 1.00 10.00 O ATOM 77 CB VAL A 5 -2.783 -8.684 -9.214 1.00 10.00 C ATOM 78 CG1 VAL A 5 -3.846 -8.982 -10.281 1.00 10.00 C ATOM 79 CG2 VAL A 5 -3.532 -8.211 -7.954 1.00 10.00 C ATOM 0 H VAL A 5 -0.285 -9.180 -7.830 1.00 10.00 H new ATOM 0 HA VAL A 5 -2.515 -10.797 -8.933 1.00 10.00 H new ATOM 0 HB VAL A 5 -2.100 -7.896 -9.530 1.00 10.00 H new ATOM 0 HG11 VAL A 5 -4.472 -8.102 -10.426 1.00 10.00 H new ATOM 0 HG12 VAL A 5 -3.357 -9.238 -11.221 1.00 10.00 H new ATOM 0 HG13 VAL A 5 -4.465 -9.818 -9.955 1.00 10.00 H new ATOM 0 HG21 VAL A 5 -4.147 -7.345 -8.200 1.00 10.00 H new ATOM 0 HG22 VAL A 5 -4.169 -9.015 -7.586 1.00 10.00 H new ATOM 0 HG23 VAL A 5 -2.811 -7.937 -7.184 1.00 10.00 H new ATOM 89 N GLN A 6 -1.238 -10.884 -11.145 1.00 10.00 N ATOM 90 CA GLN A 6 -0.466 -11.021 -12.373 1.00 10.00 C ATOM 91 C GLN A 6 -1.393 -11.380 -13.533 1.00 10.00 C ATOM 92 O GLN A 6 -2.288 -12.213 -13.373 1.00 10.00 O ATOM 93 CB GLN A 6 0.643 -12.078 -12.211 1.00 10.00 C ATOM 94 CG GLN A 6 0.196 -13.414 -11.587 1.00 10.00 C ATOM 95 CD GLN A 6 1.122 -14.557 -12.002 1.00 10.00 C ATOM 96 OE1 GLN A 6 0.757 -15.390 -12.827 1.00 10.00 O ATOM 97 NE2 GLN A 6 2.332 -14.618 -11.467 1.00 10.00 N ATOM 0 H GLN A 6 -2.093 -11.440 -11.139 1.00 10.00 H new ATOM 0 HA GLN A 6 0.015 -10.067 -12.591 1.00 10.00 H new ATOM 0 HB2 GLN A 6 1.074 -12.281 -13.191 1.00 10.00 H new ATOM 0 HB3 GLN A 6 1.437 -11.656 -11.594 1.00 10.00 H new ATOM 0 HG2 GLN A 6 0.188 -13.326 -10.501 1.00 10.00 H new ATOM 0 HG3 GLN A 6 -0.825 -13.639 -11.896 1.00 10.00 H new ATOM 0 HE21 GLN A 6 2.623 -13.920 -10.783 1.00 10.00 H new ATOM 0 HE22 GLN A 6 2.973 -15.363 -11.739 1.00 10.00 H new ATOM 106 N SER A 7 -1.195 -10.768 -14.699 1.00 10.00 N ATOM 107 CA SER A 7 -1.903 -11.079 -15.943 1.00 10.00 C ATOM 108 C SER A 7 -1.084 -10.520 -17.113 1.00 10.00 C ATOM 109 O SER A 7 -0.372 -9.528 -16.934 1.00 10.00 O ATOM 110 CB SER A 7 -3.298 -10.429 -15.962 1.00 10.00 C ATOM 111 OG SER A 7 -4.092 -10.827 -14.860 1.00 10.00 O ATOM 0 H SER A 7 -0.515 -10.016 -14.809 1.00 10.00 H new ATOM 0 HA SER A 7 -2.023 -12.159 -16.023 1.00 10.00 H new ATOM 0 HB2 SER A 7 -3.191 -9.344 -15.957 1.00 10.00 H new ATOM 0 HB3 SER A 7 -3.807 -10.694 -16.888 1.00 10.00 H new ATOM 0 HG SER A 7 -3.591 -11.465 -14.309 1.00 10.00 H new ATOM 117 N PRO A 8 -1.178 -11.093 -18.326 1.00 10.00 N ATOM 118 CA PRO A 8 -0.387 -10.629 -19.461 1.00 10.00 C ATOM 119 C PRO A 8 -0.811 -9.239 -19.953 1.00 10.00 C ATOM 120 O PRO A 8 0.018 -8.505 -20.492 1.00 10.00 O ATOM 121 CB PRO A 8 -0.560 -11.702 -20.542 1.00 10.00 C ATOM 122 CG PRO A 8 -1.907 -12.345 -20.210 1.00 10.00 C ATOM 123 CD PRO A 8 -1.957 -12.271 -18.685 1.00 10.00 C ATOM 0 HA PRO A 8 0.659 -10.503 -19.182 1.00 10.00 H new ATOM 0 HB2 PRO A 8 -0.561 -11.266 -21.541 1.00 10.00 H new ATOM 0 HB3 PRO A 8 0.249 -12.432 -20.513 1.00 10.00 H new ATOM 0 HG2 PRO A 8 -2.736 -11.805 -20.668 1.00 10.00 H new ATOM 0 HG3 PRO A 8 -1.962 -13.374 -20.566 1.00 10.00 H new ATOM 0 HD2 PRO A 8 -2.984 -12.185 -18.330 1.00 10.00 H new ATOM 0 HD3 PRO A 8 -1.538 -13.171 -18.235 1.00 10.00 H new ATOM 131 N ASN A 9 -2.083 -8.866 -19.767 1.00 10.00 N ATOM 132 CA ASN A 9 -2.631 -7.608 -20.272 1.00 10.00 C ATOM 133 C ASN A 9 -2.210 -6.378 -19.460 1.00 10.00 C ATOM 134 O ASN A 9 -2.346 -5.267 -19.976 1.00 10.00 O ATOM 135 CB ASN A 9 -4.165 -7.684 -20.391 1.00 10.00 C ATOM 136 CG ASN A 9 -4.939 -7.693 -19.070 1.00 10.00 C ATOM 137 OD1 ASN A 9 -4.381 -7.663 -17.977 1.00 10.00 O ATOM 138 ND2 ASN A 9 -6.255 -7.751 -19.156 1.00 10.00 N ATOM 0 H ASN A 9 -2.762 -9.433 -19.259 1.00 10.00 H new ATOM 0 HA ASN A 9 -2.200 -7.475 -21.264 1.00 10.00 H new ATOM 0 HB2 ASN A 9 -4.506 -6.836 -20.984 1.00 10.00 H new ATOM 0 HB3 ASN A 9 -4.423 -8.586 -20.947 1.00 10.00 H new ATOM 0 HD21 ASN A 9 -6.821 -7.771 -18.308 1.00 10.00 H new ATOM 0 HD22 ASN A 9 -6.706 -7.775 -20.071 1.00 10.00 H new ATOM 145 N GLY A 10 -1.701 -6.546 -18.230 1.00 10.00 N ATOM 146 CA GLY A 10 -1.309 -5.440 -17.360 1.00 10.00 C ATOM 147 C GLY A 10 -2.389 -4.363 -17.248 1.00 10.00 C ATOM 148 O GLY A 10 -2.079 -3.182 -17.399 1.00 10.00 O ATOM 0 H GLY A 10 -1.551 -7.464 -17.813 1.00 10.00 H new ATOM 0 HA2 GLY A 10 -1.084 -5.827 -16.366 1.00 10.00 H new ATOM 0 HA3 GLY A 10 -0.392 -4.991 -17.742 1.00 10.00 H new ATOM 152 N ASN A 11 -3.654 -4.769 -17.070 1.00 10.00 N ATOM 153 CA ASN A 11 -4.816 -3.880 -16.997 1.00 10.00 C ATOM 154 C ASN A 11 -4.777 -2.972 -15.754 1.00 10.00 C ATOM 155 O ASN A 11 -5.447 -3.234 -14.754 1.00 10.00 O ATOM 156 CB ASN A 11 -6.117 -4.696 -17.068 1.00 10.00 C ATOM 157 CG ASN A 11 -7.355 -3.805 -16.976 1.00 10.00 C ATOM 158 OD1 ASN A 11 -7.381 -2.693 -17.499 1.00 10.00 O ATOM 159 ND2 ASN A 11 -8.409 -4.271 -16.331 1.00 10.00 N ATOM 0 H ASN A 11 -3.901 -5.754 -16.970 1.00 10.00 H new ATOM 0 HA ASN A 11 -4.782 -3.215 -17.860 1.00 10.00 H new ATOM 0 HB2 ASN A 11 -6.143 -5.258 -18.002 1.00 10.00 H new ATOM 0 HB3 ASN A 11 -6.133 -5.425 -16.257 1.00 10.00 H new ATOM 0 HD21 ASN A 11 -9.256 -3.707 -16.263 1.00 10.00 H new ATOM 0 HD22 ASN A 11 -8.376 -5.195 -15.901 1.00 10.00 H new ATOM 166 N PHE A 12 -3.968 -1.913 -15.810 1.00 10.00 N ATOM 167 CA PHE A 12 -3.871 -0.877 -14.790 1.00 10.00 C ATOM 168 C PHE A 12 -5.257 -0.266 -14.539 1.00 10.00 C ATOM 169 O PHE A 12 -5.907 0.188 -15.485 1.00 10.00 O ATOM 170 CB PHE A 12 -2.864 0.185 -15.258 1.00 10.00 C ATOM 171 CG PHE A 12 -2.771 1.424 -14.382 1.00 10.00 C ATOM 172 CD1 PHE A 12 -1.957 1.428 -13.234 1.00 10.00 C ATOM 173 CD2 PHE A 12 -3.479 2.592 -14.733 1.00 10.00 C ATOM 174 CE1 PHE A 12 -1.848 2.587 -12.445 1.00 10.00 C ATOM 175 CE2 PHE A 12 -3.360 3.754 -13.951 1.00 10.00 C ATOM 176 CZ PHE A 12 -2.547 3.753 -12.805 1.00 10.00 C ATOM 0 H PHE A 12 -3.341 -1.751 -16.598 1.00 10.00 H new ATOM 0 HA PHE A 12 -3.520 -1.300 -13.849 1.00 10.00 H new ATOM 0 HB2 PHE A 12 -1.877 -0.274 -15.315 1.00 10.00 H new ATOM 0 HB3 PHE A 12 -3.131 0.494 -16.269 1.00 10.00 H new ATOM 0 HD1 PHE A 12 -1.413 0.537 -12.958 1.00 10.00 H new ATOM 0 HD2 PHE A 12 -4.115 2.594 -15.606 1.00 10.00 H new ATOM 0 HE1 PHE A 12 -1.227 2.582 -11.562 1.00 10.00 H new ATOM 0 HE2 PHE A 12 -3.895 4.649 -14.232 1.00 10.00 H new ATOM 0 HZ PHE A 12 -2.459 4.645 -12.202 1.00 10.00 H new ATOM 186 N ALA A 13 -5.696 -0.240 -13.275 1.00 10.00 N ATOM 187 CA ALA A 13 -7.064 0.131 -12.898 1.00 10.00 C ATOM 188 C ALA A 13 -7.167 1.465 -12.137 1.00 10.00 C ATOM 189 O ALA A 13 -8.282 1.909 -11.875 1.00 10.00 O ATOM 190 CB ALA A 13 -7.656 -1.000 -12.050 1.00 10.00 C ATOM 0 H ALA A 13 -5.106 -0.478 -12.478 1.00 10.00 H new ATOM 0 HA ALA A 13 -7.624 0.276 -13.822 1.00 10.00 H new ATOM 0 HB1 ALA A 13 -8.674 -0.742 -11.760 1.00 10.00 H new ATOM 0 HB2 ALA A 13 -7.667 -1.923 -12.630 1.00 10.00 H new ATOM 0 HB3 ALA A 13 -7.048 -1.141 -11.156 1.00 10.00 H new ATOM 196 N ALA A 14 -6.030 2.095 -11.811 1.00 10.00 N ATOM 197 CA ALA A 14 -5.861 3.297 -10.985 1.00 10.00 C ATOM 198 C ALA A 14 -6.516 3.242 -9.594 1.00 10.00 C ATOM 199 O ALA A 14 -5.797 3.215 -8.594 1.00 10.00 O ATOM 200 CB ALA A 14 -6.296 4.543 -11.769 1.00 10.00 C ATOM 0 H ALA A 14 -5.131 1.748 -12.146 1.00 10.00 H new ATOM 0 HA ALA A 14 -4.795 3.352 -10.766 1.00 10.00 H new ATOM 0 HB1 ALA A 14 -6.166 5.428 -11.146 1.00 10.00 H new ATOM 0 HB2 ALA A 14 -5.686 4.639 -12.668 1.00 10.00 H new ATOM 0 HB3 ALA A 14 -7.345 4.448 -12.051 1.00 10.00 H new ATOM 206 N SER A 15 -7.846 3.235 -9.506 1.00 10.00 N ATOM 207 CA SER A 15 -8.601 3.267 -8.260 1.00 10.00 C ATOM 208 C SER A 15 -10.067 2.890 -8.510 1.00 10.00 C ATOM 209 O SER A 15 -10.538 2.918 -9.652 1.00 10.00 O ATOM 210 CB SER A 15 -8.476 4.657 -7.604 1.00 10.00 C ATOM 211 OG SER A 15 -8.659 5.715 -8.536 1.00 10.00 O ATOM 0 H SER A 15 -8.445 3.206 -10.331 1.00 10.00 H new ATOM 0 HA SER A 15 -8.187 2.531 -7.571 1.00 10.00 H new ATOM 0 HB2 SER A 15 -9.214 4.747 -6.807 1.00 10.00 H new ATOM 0 HB3 SER A 15 -7.494 4.750 -7.141 1.00 10.00 H new ATOM 0 HG SER A 15 -8.573 6.576 -8.075 1.00 10.00 H new ATOM 217 N PHE A 16 -10.788 2.529 -7.443 1.00 10.00 N ATOM 218 CA PHE A 16 -12.190 2.119 -7.471 1.00 10.00 C ATOM 219 C PHE A 16 -12.785 2.303 -6.068 1.00 10.00 C ATOM 220 O PHE A 16 -12.063 2.604 -5.113 1.00 10.00 O ATOM 221 CB PHE A 16 -12.267 0.648 -7.930 1.00 10.00 C ATOM 222 CG PHE A 16 -13.645 0.099 -8.255 1.00 10.00 C ATOM 223 CD1 PHE A 16 -14.448 0.727 -9.228 1.00 10.00 C ATOM 224 CD2 PHE A 16 -14.103 -1.076 -7.628 1.00 10.00 C ATOM 225 CE1 PHE A 16 -15.708 0.193 -9.557 1.00 10.00 C ATOM 226 CE2 PHE A 16 -15.360 -1.613 -7.963 1.00 10.00 C ATOM 227 CZ PHE A 16 -16.165 -0.975 -8.923 1.00 10.00 C ATOM 0 H PHE A 16 -10.393 2.515 -6.503 1.00 10.00 H new ATOM 0 HA PHE A 16 -12.764 2.727 -8.170 1.00 10.00 H new ATOM 0 HB2 PHE A 16 -11.640 0.536 -8.815 1.00 10.00 H new ATOM 0 HB3 PHE A 16 -11.830 0.026 -7.149 1.00 10.00 H new ATOM 0 HD1 PHE A 16 -14.096 1.620 -9.722 1.00 10.00 H new ATOM 0 HD2 PHE A 16 -13.488 -1.566 -6.888 1.00 10.00 H new ATOM 0 HE1 PHE A 16 -16.324 0.681 -10.297 1.00 10.00 H new ATOM 0 HE2 PHE A 16 -15.707 -2.516 -7.482 1.00 10.00 H new ATOM 0 HZ PHE A 16 -17.134 -1.382 -9.173 1.00 10.00 H new ATOM 237 N VAL A 17 -14.092 2.086 -5.922 1.00 10.00 N ATOM 238 CA VAL A 17 -14.790 2.075 -4.643 1.00 10.00 C ATOM 239 C VAL A 17 -15.739 0.873 -4.696 1.00 10.00 C ATOM 240 O VAL A 17 -16.430 0.678 -5.699 1.00 10.00 O ATOM 241 CB VAL A 17 -15.524 3.416 -4.400 1.00 10.00 C ATOM 242 CG1 VAL A 17 -16.214 3.431 -3.027 1.00 10.00 C ATOM 243 CG2 VAL A 17 -14.574 4.627 -4.464 1.00 10.00 C ATOM 0 H VAL A 17 -14.709 1.908 -6.715 1.00 10.00 H new ATOM 0 HA VAL A 17 -14.105 1.975 -3.801 1.00 10.00 H new ATOM 0 HB VAL A 17 -16.262 3.497 -5.199 1.00 10.00 H new ATOM 0 HG11 VAL A 17 -16.721 4.385 -2.885 1.00 10.00 H new ATOM 0 HG12 VAL A 17 -16.943 2.622 -2.977 1.00 10.00 H new ATOM 0 HG13 VAL A 17 -15.468 3.296 -2.244 1.00 10.00 H new ATOM 0 HG21 VAL A 17 -15.139 5.542 -4.287 1.00 10.00 H new ATOM 0 HG22 VAL A 17 -13.802 4.524 -3.702 1.00 10.00 H new ATOM 0 HG23 VAL A 17 -14.109 4.673 -5.449 1.00 10.00 H new ATOM 253 N LEU A 18 -15.752 0.058 -3.640 1.00 10.00 N ATOM 254 CA LEU A 18 -16.513 -1.185 -3.555 1.00 10.00 C ATOM 255 C LEU A 18 -16.909 -1.352 -2.095 1.00 10.00 C ATOM 256 O LEU A 18 -16.052 -1.271 -1.214 1.00 10.00 O ATOM 257 CB LEU A 18 -15.647 -2.352 -4.083 1.00 10.00 C ATOM 258 CG LEU A 18 -16.248 -3.774 -4.118 1.00 10.00 C ATOM 259 CD1 LEU A 18 -16.279 -4.467 -2.750 1.00 10.00 C ATOM 260 CD2 LEU A 18 -17.633 -3.819 -4.775 1.00 10.00 C ATOM 0 H LEU A 18 -15.215 0.253 -2.795 1.00 10.00 H new ATOM 0 HA LEU A 18 -17.414 -1.171 -4.169 1.00 10.00 H new ATOM 0 HB2 LEU A 18 -15.339 -2.100 -5.098 1.00 10.00 H new ATOM 0 HB3 LEU A 18 -14.743 -2.392 -3.476 1.00 10.00 H new ATOM 0 HG LEU A 18 -15.559 -4.341 -4.745 1.00 10.00 H new ATOM 0 HD11 LEU A 18 -16.714 -5.461 -2.855 1.00 10.00 H new ATOM 0 HD12 LEU A 18 -15.264 -4.555 -2.363 1.00 10.00 H new ATOM 0 HD13 LEU A 18 -16.881 -3.879 -2.058 1.00 10.00 H new ATOM 0 HD21 LEU A 18 -18.005 -4.844 -4.771 1.00 10.00 H new ATOM 0 HD22 LEU A 18 -18.320 -3.181 -4.219 1.00 10.00 H new ATOM 0 HD23 LEU A 18 -17.560 -3.464 -5.803 1.00 10.00 H new ATOM 272 N ASP A 19 -18.208 -1.556 -1.858 1.00 10.00 N ATOM 273 CA ASP A 19 -18.855 -1.647 -0.542 1.00 10.00 C ATOM 274 C ASP A 19 -18.405 -0.533 0.419 1.00 10.00 C ATOM 275 O ASP A 19 -18.112 -0.762 1.593 1.00 10.00 O ATOM 276 CB ASP A 19 -18.723 -3.068 0.031 1.00 10.00 C ATOM 277 CG ASP A 19 -19.561 -3.269 1.310 1.00 10.00 C ATOM 278 OD1 ASP A 19 -20.739 -2.844 1.349 1.00 10.00 O ATOM 279 OD2 ASP A 19 -19.071 -3.914 2.264 1.00 10.00 O ATOM 0 H ASP A 19 -18.876 -1.669 -2.621 1.00 10.00 H new ATOM 0 HA ASP A 19 -19.922 -1.467 -0.674 1.00 10.00 H new ATOM 0 HB2 ASP A 19 -19.037 -3.791 -0.722 1.00 10.00 H new ATOM 0 HB3 ASP A 19 -17.675 -3.272 0.251 1.00 10.00 H new ATOM 284 N GLY A 20 -18.303 0.693 -0.108 1.00 10.00 N ATOM 285 CA GLY A 20 -17.950 1.890 0.654 1.00 10.00 C ATOM 286 C GLY A 20 -16.473 1.964 1.055 1.00 10.00 C ATOM 287 O GLY A 20 -16.075 2.930 1.709 1.00 10.00 O ATOM 0 H GLY A 20 -18.468 0.881 -1.097 1.00 10.00 H new ATOM 0 HA2 GLY A 20 -18.199 2.771 0.062 1.00 10.00 H new ATOM 0 HA3 GLY A 20 -18.562 1.928 1.555 1.00 10.00 H new ATOM 291 N THR A 21 -15.655 0.983 0.669 1.00 10.00 N ATOM 292 CA THR A 21 -14.213 0.996 0.866 1.00 10.00 C ATOM 293 C THR A 21 -13.599 1.534 -0.430 1.00 10.00 C ATOM 294 O THR A 21 -14.086 1.213 -1.517 1.00 10.00 O ATOM 295 CB THR A 21 -13.765 -0.438 1.213 1.00 10.00 C ATOM 296 OG1 THR A 21 -14.498 -0.915 2.331 1.00 10.00 O ATOM 297 CG2 THR A 21 -12.277 -0.541 1.558 1.00 10.00 C ATOM 0 H THR A 21 -15.989 0.141 0.201 1.00 10.00 H new ATOM 0 HA THR A 21 -13.888 1.634 1.688 1.00 10.00 H new ATOM 0 HB THR A 21 -13.952 -1.035 0.320 1.00 10.00 H new ATOM 0 HG1 THR A 21 -14.210 -1.827 2.546 1.00 10.00 H new ATOM 0 HG21 THR A 21 -12.029 -1.576 1.792 1.00 10.00 H new ATOM 0 HG22 THR A 21 -11.682 -0.209 0.707 1.00 10.00 H new ATOM 0 HG23 THR A 21 -12.059 0.088 2.421 1.00 10.00 H new ATOM 305 N LYS A 22 -12.555 2.365 -0.336 1.00 10.00 N ATOM 306 CA LYS A 22 -11.811 2.856 -1.499 1.00 10.00 C ATOM 307 C LYS A 22 -10.654 1.898 -1.783 1.00 10.00 C ATOM 308 O LYS A 22 -10.123 1.267 -0.866 1.00 10.00 O ATOM 309 CB LYS A 22 -11.337 4.297 -1.236 1.00 10.00 C ATOM 310 CG LYS A 22 -10.653 4.926 -2.465 1.00 10.00 C ATOM 311 CD LYS A 22 -10.348 6.421 -2.296 1.00 10.00 C ATOM 312 CE LYS A 22 -11.628 7.272 -2.277 1.00 10.00 C ATOM 313 NZ LYS A 22 -11.330 8.723 -2.191 1.00 10.00 N ATOM 0 H LYS A 22 -12.202 2.717 0.554 1.00 10.00 H new ATOM 0 HA LYS A 22 -12.445 2.885 -2.385 1.00 10.00 H new ATOM 0 HB2 LYS A 22 -12.191 4.910 -0.946 1.00 10.00 H new ATOM 0 HB3 LYS A 22 -10.642 4.300 -0.396 1.00 10.00 H new ATOM 0 HG2 LYS A 22 -9.723 4.394 -2.666 1.00 10.00 H new ATOM 0 HG3 LYS A 22 -11.293 4.790 -3.337 1.00 10.00 H new ATOM 0 HD2 LYS A 22 -9.796 6.576 -1.369 1.00 10.00 H new ATOM 0 HD3 LYS A 22 -9.704 6.754 -3.110 1.00 10.00 H new ATOM 0 HE2 LYS A 22 -12.208 7.074 -3.178 1.00 10.00 H new ATOM 0 HE3 LYS A 22 -12.246 6.978 -1.429 1.00 10.00 H new ATOM 0 HZ1 LYS A 22 -12.220 9.260 -2.181 1.00 10.00 H new ATOM 0 HZ2 LYS A 22 -10.798 8.917 -1.318 1.00 10.00 H new ATOM 0 HZ3 LYS A 22 -10.762 9.010 -3.013 1.00 10.00 H new ATOM 327 N TRP A 23 -10.255 1.811 -3.047 1.00 10.00 N ATOM 328 CA TRP A 23 -9.308 0.848 -3.586 1.00 10.00 C ATOM 329 C TRP A 23 -8.398 1.628 -4.549 1.00 10.00 C ATOM 330 O TRP A 23 -8.890 2.522 -5.243 1.00 10.00 O ATOM 331 CB TRP A 23 -10.139 -0.261 -4.269 1.00 10.00 C ATOM 332 CG TRP A 23 -11.018 -1.073 -3.357 1.00 10.00 C ATOM 333 CD1 TRP A 23 -12.260 -0.716 -2.969 1.00 10.00 C ATOM 334 CD2 TRP A 23 -10.765 -2.360 -2.701 1.00 10.00 C ATOM 335 NE1 TRP A 23 -12.772 -1.640 -2.086 1.00 10.00 N ATOM 336 CE2 TRP A 23 -11.896 -2.685 -1.887 1.00 10.00 C ATOM 337 CE3 TRP A 23 -9.702 -3.292 -2.705 1.00 10.00 C ATOM 338 CZ2 TRP A 23 -11.955 -3.855 -1.112 1.00 10.00 C ATOM 339 CZ3 TRP A 23 -9.756 -4.477 -1.946 1.00 10.00 C ATOM 340 CH2 TRP A 23 -10.879 -4.758 -1.147 1.00 10.00 C ATOM 0 H TRP A 23 -10.605 2.448 -3.762 1.00 10.00 H new ATOM 0 HA TRP A 23 -8.672 0.367 -2.843 1.00 10.00 H new ATOM 0 HB2 TRP A 23 -10.766 0.199 -5.033 1.00 10.00 H new ATOM 0 HB3 TRP A 23 -9.456 -0.938 -4.782 1.00 10.00 H new ATOM 0 HD1 TRP A 23 -12.779 0.170 -3.304 1.00 10.00 H new ATOM 0 HE1 TRP A 23 -13.684 -1.561 -1.636 1.00 10.00 H new ATOM 0 HE3 TRP A 23 -8.827 -3.090 -3.305 1.00 10.00 H new ATOM 0 HZ2 TRP A 23 -12.818 -4.058 -0.496 1.00 10.00 H new ATOM 0 HZ3 TRP A 23 -8.931 -5.173 -1.978 1.00 10.00 H new ATOM 0 HH2 TRP A 23 -10.914 -5.665 -0.562 1.00 10.00 H new ATOM 351 N ILE A 24 -7.085 1.359 -4.584 1.00 10.00 N ATOM 352 CA ILE A 24 -6.090 2.189 -5.275 1.00 10.00 C ATOM 353 C ILE A 24 -4.852 1.374 -5.716 1.00 10.00 C ATOM 354 O ILE A 24 -4.590 0.281 -5.213 1.00 10.00 O ATOM 355 CB ILE A 24 -5.748 3.399 -4.362 1.00 10.00 C ATOM 356 CG1 ILE A 24 -4.930 4.482 -5.101 1.00 10.00 C ATOM 357 CG2 ILE A 24 -5.066 2.964 -3.049 1.00 10.00 C ATOM 358 CD1 ILE A 24 -4.925 5.842 -4.392 1.00 10.00 C ATOM 0 H ILE A 24 -6.678 0.544 -4.125 1.00 10.00 H new ATOM 0 HA ILE A 24 -6.505 2.568 -6.209 1.00 10.00 H new ATOM 0 HB ILE A 24 -6.700 3.855 -4.090 1.00 10.00 H new ATOM 0 HG12 ILE A 24 -3.902 4.136 -5.212 1.00 10.00 H new ATOM 0 HG13 ILE A 24 -5.334 4.607 -6.106 1.00 10.00 H new ATOM 0 HG21 ILE A 24 -4.846 3.844 -2.444 1.00 10.00 H new ATOM 0 HG22 ILE A 24 -5.731 2.300 -2.496 1.00 10.00 H new ATOM 0 HG23 ILE A 24 -4.138 2.440 -3.277 1.00 10.00 H new ATOM 0 HD11 ILE A 24 -4.331 6.551 -4.969 1.00 10.00 H new ATOM 0 HD12 ILE A 24 -5.947 6.211 -4.305 1.00 10.00 H new ATOM 0 HD13 ILE A 24 -4.493 5.732 -3.397 1.00 10.00 H new ATOM 370 N PHE A 25 -4.095 1.894 -6.685 1.00 10.00 N ATOM 371 CA PHE A 25 -2.790 1.392 -7.122 1.00 10.00 C ATOM 372 C PHE A 25 -1.763 1.358 -5.978 1.00 10.00 C ATOM 373 O PHE A 25 -1.866 2.135 -5.024 1.00 10.00 O ATOM 374 CB PHE A 25 -2.305 2.295 -8.273 1.00 10.00 C ATOM 375 CG PHE A 25 -0.896 2.025 -8.774 1.00 10.00 C ATOM 376 CD1 PHE A 25 -0.592 0.793 -9.381 1.00 10.00 C ATOM 377 CD2 PHE A 25 0.117 2.995 -8.632 1.00 10.00 C ATOM 378 CE1 PHE A 25 0.702 0.534 -9.855 1.00 10.00 C ATOM 379 CE2 PHE A 25 1.415 2.736 -9.110 1.00 10.00 C ATOM 380 CZ PHE A 25 1.707 1.508 -9.727 1.00 10.00 C ATOM 0 H PHE A 25 -4.390 2.716 -7.212 1.00 10.00 H new ATOM 0 HA PHE A 25 -2.894 0.360 -7.458 1.00 10.00 H new ATOM 0 HB2 PHE A 25 -2.995 2.188 -9.110 1.00 10.00 H new ATOM 0 HB3 PHE A 25 -2.361 3.333 -7.944 1.00 10.00 H new ATOM 0 HD1 PHE A 25 -1.361 0.041 -9.483 1.00 10.00 H new ATOM 0 HD2 PHE A 25 -0.103 3.939 -8.155 1.00 10.00 H new ATOM 0 HE1 PHE A 25 0.927 -0.415 -10.319 1.00 10.00 H new ATOM 0 HE2 PHE A 25 2.188 3.482 -9.002 1.00 10.00 H new ATOM 0 HZ PHE A 25 2.701 1.313 -10.102 1.00 10.00 H new ATOM 390 N LYS A 26 -0.727 0.510 -6.107 1.00 10.00 N ATOM 391 CA LYS A 26 0.439 0.516 -5.221 1.00 10.00 C ATOM 392 C LYS A 26 1.719 0.327 -6.055 1.00 10.00 C ATOM 393 O LYS A 26 2.496 1.280 -6.129 1.00 10.00 O ATOM 394 CB LYS A 26 0.234 -0.506 -4.080 1.00 10.00 C ATOM 395 CG LYS A 26 1.150 -0.349 -2.854 1.00 10.00 C ATOM 396 CD LYS A 26 2.637 -0.574 -3.160 1.00 10.00 C ATOM 397 CE LYS A 26 3.492 -0.723 -1.895 1.00 10.00 C ATOM 398 NZ LYS A 26 4.938 -0.807 -2.226 1.00 10.00 N ATOM 0 H LYS A 26 -0.680 -0.202 -6.836 1.00 10.00 H new ATOM 0 HA LYS A 26 0.558 1.478 -4.722 1.00 10.00 H new ATOM 0 HB2 LYS A 26 -0.801 -0.442 -3.745 1.00 10.00 H new ATOM 0 HB3 LYS A 26 0.376 -1.507 -4.487 1.00 10.00 H new ATOM 0 HG2 LYS A 26 1.021 0.651 -2.441 1.00 10.00 H new ATOM 0 HG3 LYS A 26 0.836 -1.054 -2.085 1.00 10.00 H new ATOM 0 HD2 LYS A 26 2.745 -1.469 -3.773 1.00 10.00 H new ATOM 0 HD3 LYS A 26 3.012 0.263 -3.749 1.00 10.00 H new ATOM 0 HE2 LYS A 26 3.317 0.126 -1.234 1.00 10.00 H new ATOM 0 HE3 LYS A 26 3.189 -1.618 -1.352 1.00 10.00 H new ATOM 0 HZ1 LYS A 26 5.489 -0.907 -1.350 1.00 10.00 H new ATOM 0 HZ2 LYS A 26 5.107 -1.631 -2.838 1.00 10.00 H new ATOM 0 HZ3 LYS A 26 5.231 0.058 -2.723 1.00 10.00 H new ATOM 412 N SER A 27 1.924 -0.818 -6.723 1.00 10.00 N ATOM 413 CA SER A 27 3.115 -1.075 -7.547 1.00 10.00 C ATOM 414 C SER A 27 2.801 -2.062 -8.680 1.00 10.00 C ATOM 415 O SER A 27 1.995 -2.974 -8.497 1.00 10.00 O ATOM 416 CB SER A 27 4.231 -1.689 -6.684 1.00 10.00 C ATOM 417 OG SER A 27 4.590 -0.883 -5.573 1.00 10.00 O ATOM 0 H SER A 27 1.265 -1.596 -6.707 1.00 10.00 H new ATOM 0 HA SER A 27 3.433 -0.121 -7.968 1.00 10.00 H new ATOM 0 HB2 SER A 27 3.907 -2.666 -6.325 1.00 10.00 H new ATOM 0 HB3 SER A 27 5.112 -1.853 -7.305 1.00 10.00 H new ATOM 0 HG SER A 27 5.301 -1.326 -5.064 1.00 10.00 H new ATOM 423 N LYS A 28 3.492 -1.955 -9.823 1.00 10.00 N ATOM 424 CA LYS A 28 3.450 -2.953 -10.899 1.00 10.00 C ATOM 425 C LYS A 28 4.801 -3.016 -11.611 1.00 10.00 C ATOM 426 O LYS A 28 5.552 -2.039 -11.579 1.00 10.00 O ATOM 427 CB LYS A 28 2.297 -2.664 -11.886 1.00 10.00 C ATOM 428 CG LYS A 28 2.459 -1.360 -12.691 1.00 10.00 C ATOM 429 CD LYS A 28 1.261 -1.129 -13.627 1.00 10.00 C ATOM 430 CE LYS A 28 1.316 0.235 -14.340 1.00 10.00 C ATOM 431 NZ LYS A 28 2.436 0.358 -15.310 1.00 10.00 N ATOM 0 H LYS A 28 4.102 -1.164 -10.028 1.00 10.00 H new ATOM 0 HA LYS A 28 3.253 -3.931 -10.459 1.00 10.00 H new ATOM 0 HB2 LYS A 28 2.214 -3.498 -12.582 1.00 10.00 H new ATOM 0 HB3 LYS A 28 1.361 -2.619 -11.329 1.00 10.00 H new ATOM 0 HG2 LYS A 28 2.556 -0.517 -12.007 1.00 10.00 H new ATOM 0 HG3 LYS A 28 3.378 -1.403 -13.276 1.00 10.00 H new ATOM 0 HD2 LYS A 28 1.230 -1.923 -14.373 1.00 10.00 H new ATOM 0 HD3 LYS A 28 0.338 -1.196 -13.052 1.00 10.00 H new ATOM 0 HE2 LYS A 28 0.374 0.400 -14.863 1.00 10.00 H new ATOM 0 HE3 LYS A 28 1.407 1.023 -13.592 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 3.159 1.000 -14.926 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 2.857 -0.579 -15.474 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 2.077 0.739 -16.209 1.00 10.00 H new ATOM 445 N TYR A 29 5.094 -4.138 -12.268 1.00 10.00 N ATOM 446 CA TYR A 29 6.269 -4.344 -13.111 1.00 10.00 C ATOM 447 C TYR A 29 5.956 -5.443 -14.134 1.00 10.00 C ATOM 448 O TYR A 29 5.034 -6.238 -13.931 1.00 10.00 O ATOM 449 CB TYR A 29 7.491 -4.716 -12.250 1.00 10.00 C ATOM 450 CG TYR A 29 7.409 -6.042 -11.505 1.00 10.00 C ATOM 451 CD1 TYR A 29 6.719 -6.132 -10.279 1.00 10.00 C ATOM 452 CD2 TYR A 29 8.067 -7.177 -12.017 1.00 10.00 C ATOM 453 CE1 TYR A 29 6.683 -7.346 -9.568 1.00 10.00 C ATOM 454 CE2 TYR A 29 8.043 -8.392 -11.311 1.00 10.00 C ATOM 455 CZ TYR A 29 7.352 -8.482 -10.081 1.00 10.00 C ATOM 456 OH TYR A 29 7.351 -9.663 -9.400 1.00 10.00 O ATOM 0 H TYR A 29 4.494 -4.961 -12.225 1.00 10.00 H new ATOM 0 HA TYR A 29 6.512 -3.422 -13.640 1.00 10.00 H new ATOM 0 HB2 TYR A 29 8.370 -4.738 -12.894 1.00 10.00 H new ATOM 0 HB3 TYR A 29 7.651 -3.922 -11.520 1.00 10.00 H new ATOM 0 HD1 TYR A 29 6.214 -5.263 -9.883 1.00 10.00 H new ATOM 0 HD2 TYR A 29 8.593 -7.113 -12.958 1.00 10.00 H new ATOM 0 HE1 TYR A 29 6.146 -7.410 -8.633 1.00 10.00 H new ATOM 0 HE2 TYR A 29 8.553 -9.257 -11.708 1.00 10.00 H new ATOM 0 HH TYR A 29 7.860 -10.332 -9.904 1.00 10.00 H new ATOM 466 N TYR A 30 6.716 -5.505 -15.229 1.00 10.00 N ATOM 467 CA TYR A 30 6.628 -6.598 -16.190 1.00 10.00 C ATOM 468 C TYR A 30 7.664 -7.646 -15.784 1.00 10.00 C ATOM 469 O TYR A 30 8.850 -7.330 -15.663 1.00 10.00 O ATOM 470 CB TYR A 30 6.843 -6.074 -17.615 1.00 10.00 C ATOM 471 CG TYR A 30 6.576 -7.114 -18.687 1.00 10.00 C ATOM 472 CD1 TYR A 30 5.253 -7.515 -18.951 1.00 10.00 C ATOM 473 CD2 TYR A 30 7.636 -7.676 -19.424 1.00 10.00 C ATOM 474 CE1 TYR A 30 4.983 -8.463 -19.952 1.00 10.00 C ATOM 475 CE2 TYR A 30 7.375 -8.625 -20.429 1.00 10.00 C ATOM 476 CZ TYR A 30 6.043 -9.014 -20.706 1.00 10.00 C ATOM 477 OH TYR A 30 5.765 -9.898 -21.706 1.00 10.00 O ATOM 0 H TYR A 30 7.409 -4.797 -15.472 1.00 10.00 H new ATOM 0 HA TYR A 30 5.638 -7.055 -16.185 1.00 10.00 H new ATOM 0 HB2 TYR A 30 6.191 -5.217 -17.781 1.00 10.00 H new ATOM 0 HB3 TYR A 30 7.869 -5.718 -17.712 1.00 10.00 H new ATOM 0 HD1 TYR A 30 4.440 -7.091 -18.380 1.00 10.00 H new ATOM 0 HD2 TYR A 30 8.653 -7.377 -19.217 1.00 10.00 H new ATOM 0 HE1 TYR A 30 3.966 -8.770 -20.145 1.00 10.00 H new ATOM 0 HE2 TYR A 30 8.191 -9.057 -20.989 1.00 10.00 H new ATOM 0 HH TYR A 30 6.600 -10.185 -22.130 1.00 10.00 H new ATOM 487 N ASP A 31 7.225 -8.878 -15.529 1.00 10.00 N ATOM 488 CA ASP A 31 8.094 -9.983 -15.144 1.00 10.00 C ATOM 489 C ASP A 31 8.552 -10.679 -16.418 1.00 10.00 C ATOM 490 O ASP A 31 7.980 -11.689 -16.836 1.00 10.00 O ATOM 491 CB ASP A 31 7.391 -10.944 -14.174 1.00 10.00 C ATOM 492 CG ASP A 31 8.302 -12.100 -13.711 1.00 10.00 C ATOM 493 OD1 ASP A 31 9.530 -12.063 -13.948 1.00 10.00 O ATOM 494 OD2 ASP A 31 7.789 -13.023 -13.041 1.00 10.00 O ATOM 0 H ASP A 31 6.240 -9.138 -15.586 1.00 10.00 H new ATOM 0 HA ASP A 31 8.963 -9.608 -14.603 1.00 10.00 H new ATOM 0 HB2 ASP A 31 7.048 -10.386 -13.302 1.00 10.00 H new ATOM 0 HB3 ASP A 31 6.505 -11.357 -14.657 1.00 10.00 H new ATOM 499 N SER A 32 9.547 -10.091 -17.085 1.00 10.00 N ATOM 500 CA SER A 32 10.071 -10.549 -18.367 1.00 10.00 C ATOM 501 C SER A 32 10.457 -12.041 -18.368 1.00 10.00 C ATOM 502 O SER A 32 10.362 -12.692 -19.409 1.00 10.00 O ATOM 503 CB SER A 32 11.271 -9.672 -18.759 1.00 10.00 C ATOM 504 OG SER A 32 10.999 -8.293 -18.541 1.00 10.00 O ATOM 0 H SER A 32 10.022 -9.259 -16.735 1.00 10.00 H new ATOM 0 HA SER A 32 9.275 -10.450 -19.105 1.00 10.00 H new ATOM 0 HB2 SER A 32 12.145 -9.968 -18.179 1.00 10.00 H new ATOM 0 HB3 SER A 32 11.515 -9.835 -19.809 1.00 10.00 H new ATOM 0 HG SER A 32 11.781 -7.761 -18.798 1.00 10.00 H new ATOM 510 N SER A 33 10.843 -12.602 -17.216 1.00 10.00 N ATOM 511 CA SER A 33 11.202 -14.012 -17.064 1.00 10.00 C ATOM 512 C SER A 33 10.008 -14.958 -17.269 1.00 10.00 C ATOM 513 O SER A 33 10.215 -16.139 -17.557 1.00 10.00 O ATOM 514 CB SER A 33 11.814 -14.220 -15.673 1.00 10.00 C ATOM 515 OG SER A 33 12.820 -13.245 -15.425 1.00 10.00 O ATOM 0 H SER A 33 10.915 -12.074 -16.346 1.00 10.00 H new ATOM 0 HA SER A 33 11.925 -14.259 -17.841 1.00 10.00 H new ATOM 0 HB2 SER A 33 11.036 -14.152 -14.912 1.00 10.00 H new ATOM 0 HB3 SER A 33 12.242 -15.220 -15.602 1.00 10.00 H new ATOM 0 HG SER A 33 13.201 -13.388 -14.534 1.00 10.00 H new ATOM 521 N LYS A 34 8.771 -14.458 -17.148 1.00 10.00 N ATOM 522 CA LYS A 34 7.538 -15.237 -17.304 1.00 10.00 C ATOM 523 C LYS A 34 6.610 -14.640 -18.368 1.00 10.00 C ATOM 524 O LYS A 34 5.744 -15.355 -18.869 1.00 10.00 O ATOM 525 CB LYS A 34 6.818 -15.336 -15.950 1.00 10.00 C ATOM 526 CG LYS A 34 7.607 -16.051 -14.835 1.00 10.00 C ATOM 527 CD LYS A 34 7.948 -17.528 -15.100 1.00 10.00 C ATOM 528 CE LYS A 34 6.690 -18.393 -15.268 1.00 10.00 C ATOM 529 NZ LYS A 34 7.017 -19.828 -15.468 1.00 10.00 N ATOM 0 H LYS A 34 8.597 -13.476 -16.934 1.00 10.00 H new ATOM 0 HA LYS A 34 7.810 -16.236 -17.646 1.00 10.00 H new ATOM 0 HB2 LYS A 34 6.575 -14.329 -15.612 1.00 10.00 H new ATOM 0 HB3 LYS A 34 5.873 -15.859 -16.097 1.00 10.00 H new ATOM 0 HG2 LYS A 34 8.537 -15.507 -14.667 1.00 10.00 H new ATOM 0 HG3 LYS A 34 7.031 -15.990 -13.912 1.00 10.00 H new ATOM 0 HD2 LYS A 34 8.560 -17.602 -15.999 1.00 10.00 H new ATOM 0 HD3 LYS A 34 8.545 -17.915 -14.274 1.00 10.00 H new ATOM 0 HE2 LYS A 34 6.057 -18.286 -14.387 1.00 10.00 H new ATOM 0 HE3 LYS A 34 6.114 -18.031 -16.120 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 6.138 -20.373 -15.577 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 7.599 -19.936 -16.323 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 7.544 -20.182 -14.644 1.00 10.00 H new ATOM 543 N GLY A 35 6.807 -13.379 -18.763 1.00 10.00 N ATOM 544 CA GLY A 35 6.116 -12.780 -19.897 1.00 10.00 C ATOM 545 C GLY A 35 4.717 -12.287 -19.535 1.00 10.00 C ATOM 546 O GLY A 35 3.795 -12.431 -20.343 1.00 10.00 O ATOM 0 H GLY A 35 7.456 -12.744 -18.298 1.00 10.00 H new ATOM 0 HA2 GLY A 35 6.705 -11.945 -20.277 1.00 10.00 H new ATOM 0 HA3 GLY A 35 6.043 -13.512 -20.702 1.00 10.00 H new ATOM 550 N TYR A 36 4.531 -11.734 -18.332 1.00 10.00 N ATOM 551 CA TYR A 36 3.283 -11.098 -17.919 1.00 10.00 C ATOM 552 C TYR A 36 3.584 -9.943 -16.962 1.00 10.00 C ATOM 553 O TYR A 36 4.684 -9.858 -16.409 1.00 10.00 O ATOM 554 CB TYR A 36 2.307 -12.128 -17.312 1.00 10.00 C ATOM 555 CG TYR A 36 2.859 -13.152 -16.327 1.00 10.00 C ATOM 556 CD1 TYR A 36 3.486 -12.746 -15.133 1.00 10.00 C ATOM 557 CD2 TYR A 36 2.677 -14.528 -16.579 1.00 10.00 C ATOM 558 CE1 TYR A 36 3.935 -13.700 -14.204 1.00 10.00 C ATOM 559 CE2 TYR A 36 3.095 -15.488 -15.642 1.00 10.00 C ATOM 560 CZ TYR A 36 3.724 -15.077 -14.443 1.00 10.00 C ATOM 561 OH TYR A 36 4.117 -15.992 -13.510 1.00 10.00 O ATOM 0 H TYR A 36 5.253 -11.717 -17.612 1.00 10.00 H new ATOM 0 HA TYR A 36 2.784 -10.684 -18.795 1.00 10.00 H new ATOM 0 HB2 TYR A 36 1.513 -11.577 -16.809 1.00 10.00 H new ATOM 0 HB3 TYR A 36 1.845 -12.673 -18.135 1.00 10.00 H new ATOM 0 HD1 TYR A 36 3.623 -11.694 -14.930 1.00 10.00 H new ATOM 0 HD2 TYR A 36 2.212 -14.846 -17.500 1.00 10.00 H new ATOM 0 HE1 TYR A 36 4.442 -13.380 -13.306 1.00 10.00 H new ATOM 0 HE2 TYR A 36 2.936 -16.538 -15.837 1.00 10.00 H new ATOM 0 HH TYR A 36 3.900 -16.894 -13.825 1.00 10.00 H new ATOM 571 N TRP A 37 2.614 -9.048 -16.763 1.00 10.00 N ATOM 572 CA TRP A 37 2.695 -8.050 -15.708 1.00 10.00 C ATOM 573 C TRP A 37 2.403 -8.715 -14.368 1.00 10.00 C ATOM 574 O TRP A 37 1.661 -9.697 -14.300 1.00 10.00 O ATOM 575 CB TRP A 37 1.710 -6.908 -15.975 1.00 10.00 C ATOM 576 CG TRP A 37 2.136 -5.965 -17.057 1.00 10.00 C ATOM 577 CD1 TRP A 37 1.919 -6.123 -18.382 1.00 10.00 C ATOM 578 CD2 TRP A 37 2.899 -4.726 -16.925 1.00 10.00 C ATOM 579 NE1 TRP A 37 2.487 -5.073 -19.075 1.00 10.00 N ATOM 580 CE2 TRP A 37 3.129 -4.193 -18.229 1.00 10.00 C ATOM 581 CE3 TRP A 37 3.440 -4.010 -15.835 1.00 10.00 C ATOM 582 CZ2 TRP A 37 3.877 -3.024 -18.439 1.00 10.00 C ATOM 583 CZ3 TRP A 37 4.208 -2.847 -16.033 1.00 10.00 C ATOM 584 CH2 TRP A 37 4.431 -2.356 -17.333 1.00 10.00 C ATOM 0 H TRP A 37 1.763 -8.999 -17.323 1.00 10.00 H new ATOM 0 HA TRP A 37 3.699 -7.625 -15.685 1.00 10.00 H new ATOM 0 HB2 TRP A 37 0.742 -7.334 -16.241 1.00 10.00 H new ATOM 0 HB3 TRP A 37 1.568 -6.344 -15.053 1.00 10.00 H new ATOM 0 HD1 TRP A 37 1.382 -6.946 -18.830 1.00 10.00 H new ATOM 0 HE1 TRP A 37 2.438 -4.962 -20.088 1.00 10.00 H new ATOM 0 HE3 TRP A 37 3.261 -4.361 -14.830 1.00 10.00 H new ATOM 0 HZ2 TRP A 37 4.025 -2.642 -19.438 1.00 10.00 H new ATOM 0 HZ3 TRP A 37 4.628 -2.329 -15.183 1.00 10.00 H new ATOM 0 HH2 TRP A 37 5.027 -1.467 -17.481 1.00 10.00 H new ATOM 595 N VAL A 38 2.951 -8.135 -13.307 1.00 10.00 N ATOM 596 CA VAL A 38 2.773 -8.531 -11.917 1.00 10.00 C ATOM 597 C VAL A 38 2.651 -7.227 -11.119 1.00 10.00 C ATOM 598 O VAL A 38 3.177 -6.192 -11.544 1.00 10.00 O ATOM 599 CB VAL A 38 3.986 -9.374 -11.450 1.00 10.00 C ATOM 600 CG1 VAL A 38 3.785 -9.952 -10.039 1.00 10.00 C ATOM 601 CG2 VAL A 38 4.322 -10.541 -12.390 1.00 10.00 C ATOM 0 H VAL A 38 3.568 -7.328 -13.400 1.00 10.00 H new ATOM 0 HA VAL A 38 1.888 -9.151 -11.775 1.00 10.00 H new ATOM 0 HB VAL A 38 4.816 -8.667 -11.455 1.00 10.00 H new ATOM 0 HG11 VAL A 38 4.662 -10.535 -9.756 1.00 10.00 H new ATOM 0 HG12 VAL A 38 3.646 -9.137 -9.328 1.00 10.00 H new ATOM 0 HG13 VAL A 38 2.904 -10.594 -10.031 1.00 10.00 H new ATOM 0 HG21 VAL A 38 5.181 -11.087 -12.000 1.00 10.00 H new ATOM 0 HG22 VAL A 38 3.466 -11.212 -12.457 1.00 10.00 H new ATOM 0 HG23 VAL A 38 4.558 -10.154 -13.381 1.00 10.00 H new ATOM 611 N GLY A 39 1.987 -7.246 -9.966 1.00 10.00 N ATOM 612 CA GLY A 39 1.901 -6.072 -9.124 1.00 10.00 C ATOM 613 C GLY A 39 1.445 -6.391 -7.711 1.00 10.00 C ATOM 614 O GLY A 39 0.912 -7.469 -7.422 1.00 10.00 O ATOM 0 H GLY A 39 1.503 -8.066 -9.600 1.00 10.00 H new ATOM 0 HA2 GLY A 39 2.876 -5.587 -9.085 1.00 10.00 H new ATOM 0 HA3 GLY A 39 1.208 -5.360 -9.572 1.00 10.00 H new ATOM 618 N ILE A 40 1.657 -5.399 -6.850 1.00 10.00 N ATOM 619 CA ILE A 40 1.136 -5.314 -5.502 1.00 10.00 C ATOM 620 C ILE A 40 0.053 -4.263 -5.660 1.00 10.00 C ATOM 621 O ILE A 40 0.326 -3.177 -6.181 1.00 10.00 O ATOM 622 CB ILE A 40 2.233 -4.853 -4.514 1.00 10.00 C ATOM 623 CG1 ILE A 40 3.499 -5.744 -4.567 1.00 10.00 C ATOM 624 CG2 ILE A 40 1.648 -4.819 -3.091 1.00 10.00 C ATOM 625 CD1 ILE A 40 4.651 -5.246 -3.683 1.00 10.00 C ATOM 0 H ILE A 40 2.230 -4.591 -7.095 1.00 10.00 H new ATOM 0 HA ILE A 40 0.775 -6.260 -5.099 1.00 10.00 H new ATOM 0 HB ILE A 40 2.552 -3.854 -4.809 1.00 10.00 H new ATOM 0 HG12 ILE A 40 3.232 -6.756 -4.262 1.00 10.00 H new ATOM 0 HG13 ILE A 40 3.846 -5.803 -5.599 1.00 10.00 H new ATOM 0 HG21 ILE A 40 2.417 -4.495 -2.389 1.00 10.00 H new ATOM 0 HG22 ILE A 40 0.810 -4.123 -3.059 1.00 10.00 H new ATOM 0 HG23 ILE A 40 1.303 -5.815 -2.816 1.00 10.00 H new ATOM 0 HD11 ILE A 40 5.500 -5.924 -3.776 1.00 10.00 H new ATOM 0 HD12 ILE A 40 4.948 -4.247 -4.001 1.00 10.00 H new ATOM 0 HD13 ILE A 40 4.324 -5.214 -2.644 1.00 10.00 H new ATOM 637 N TYR A 41 -1.175 -4.567 -5.268 1.00 10.00 N ATOM 638 CA TYR A 41 -2.301 -3.738 -5.639 1.00 10.00 C ATOM 639 C TYR A 41 -3.277 -3.667 -4.478 1.00 10.00 C ATOM 640 O TYR A 41 -3.376 -4.603 -3.701 1.00 10.00 O ATOM 641 CB TYR A 41 -2.965 -4.327 -6.903 1.00 10.00 C ATOM 642 CG TYR A 41 -2.911 -3.423 -8.116 1.00 10.00 C ATOM 643 CD1 TYR A 41 -3.636 -2.218 -8.122 1.00 10.00 C ATOM 644 CD2 TYR A 41 -2.179 -3.803 -9.256 1.00 10.00 C ATOM 645 CE1 TYR A 41 -3.664 -1.413 -9.277 1.00 10.00 C ATOM 646 CE2 TYR A 41 -2.206 -3.007 -10.418 1.00 10.00 C ATOM 647 CZ TYR A 41 -2.954 -1.809 -10.424 1.00 10.00 C ATOM 648 OH TYR A 41 -2.941 -1.003 -11.522 1.00 10.00 O ATOM 0 H TYR A 41 -1.412 -5.378 -4.696 1.00 10.00 H new ATOM 0 HA TYR A 41 -1.972 -2.724 -5.865 1.00 10.00 H new ATOM 0 HB2 TYR A 41 -2.479 -5.272 -7.147 1.00 10.00 H new ATOM 0 HB3 TYR A 41 -4.008 -4.553 -6.679 1.00 10.00 H new ATOM 0 HD1 TYR A 41 -4.173 -1.909 -7.238 1.00 10.00 H new ATOM 0 HD2 TYR A 41 -1.593 -4.710 -9.240 1.00 10.00 H new ATOM 0 HE1 TYR A 41 -4.230 -0.493 -9.282 1.00 10.00 H new ATOM 0 HE2 TYR A 41 -1.659 -3.311 -11.298 1.00 10.00 H new ATOM 0 HH TYR A 41 -2.305 -0.271 -11.383 1.00 10.00 H new ATOM 658 N GLU A 42 -4.039 -2.585 -4.431 1.00 10.00 N ATOM 659 CA GLU A 42 -5.169 -2.433 -3.544 1.00 10.00 C ATOM 660 C GLU A 42 -6.397 -2.094 -4.401 1.00 10.00 C ATOM 661 O GLU A 42 -7.255 -1.353 -3.948 1.00 10.00 O ATOM 662 CB GLU A 42 -4.846 -1.378 -2.460 1.00 10.00 C ATOM 663 CG GLU A 42 -5.622 -1.617 -1.155 1.00 10.00 C ATOM 664 CD GLU A 42 -5.307 -0.540 -0.100 1.00 10.00 C ATOM 665 OE1 GLU A 42 -4.352 -0.716 0.690 1.00 10.00 O ATOM 666 OE2 GLU A 42 -6.032 0.476 -0.023 1.00 10.00 O ATOM 0 H GLU A 42 -3.880 -1.772 -5.026 1.00 10.00 H new ATOM 0 HA GLU A 42 -5.389 -3.352 -3.001 1.00 10.00 H new ATOM 0 HB2 GLU A 42 -3.776 -1.393 -2.251 1.00 10.00 H new ATOM 0 HB3 GLU A 42 -5.082 -0.385 -2.842 1.00 10.00 H new ATOM 0 HG2 GLU A 42 -6.692 -1.621 -1.363 1.00 10.00 H new ATOM 0 HG3 GLU A 42 -5.371 -2.600 -0.757 1.00 10.00 H new ATOM 673 N VAL A 43 -6.485 -2.584 -5.650 1.00 10.00 N ATOM 674 CA VAL A 43 -7.704 -2.503 -6.457 1.00 10.00 C ATOM 675 C VAL A 43 -7.784 -3.625 -7.497 1.00 10.00 C ATOM 676 O VAL A 43 -8.852 -4.221 -7.640 1.00 10.00 O ATOM 677 CB VAL A 43 -7.896 -1.103 -7.102 1.00 10.00 C ATOM 678 CG1 VAL A 43 -6.747 -0.605 -7.985 1.00 10.00 C ATOM 679 CG2 VAL A 43 -9.183 -1.007 -7.926 1.00 10.00 C ATOM 0 H VAL A 43 -5.709 -3.047 -6.124 1.00 10.00 H new ATOM 0 HA VAL A 43 -8.537 -2.647 -5.769 1.00 10.00 H new ATOM 0 HB VAL A 43 -7.937 -0.458 -6.224 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -6.993 0.381 -8.380 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -5.834 -0.542 -7.393 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -6.596 -1.300 -8.811 1.00 10.00 H new ATOM 0 HG21 VAL A 43 -9.267 -0.008 -8.354 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -9.157 -1.744 -8.728 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -10.042 -1.200 -7.283 1.00 10.00 H new ATOM 689 N TRP A 44 -6.696 -3.910 -8.226 1.00 10.00 N ATOM 690 CA TRP A 44 -6.760 -4.827 -9.361 1.00 10.00 C ATOM 691 C TRP A 44 -7.118 -6.239 -8.881 1.00 10.00 C ATOM 692 O TRP A 44 -6.766 -6.636 -7.766 1.00 10.00 O ATOM 693 CB TRP A 44 -5.450 -4.791 -10.165 1.00 10.00 C ATOM 694 CG TRP A 44 -5.458 -5.441 -11.520 1.00 10.00 C ATOM 695 CD1 TRP A 44 -6.516 -5.523 -12.359 1.00 10.00 C ATOM 696 CD2 TRP A 44 -4.341 -6.035 -12.258 1.00 10.00 C ATOM 697 NE1 TRP A 44 -6.159 -6.195 -13.505 1.00 10.00 N ATOM 698 CE2 TRP A 44 -4.819 -6.506 -13.517 1.00 10.00 C ATOM 699 CE3 TRP A 44 -2.963 -6.211 -12.000 1.00 10.00 C ATOM 700 CZ2 TRP A 44 -3.981 -7.119 -14.461 1.00 10.00 C ATOM 701 CZ3 TRP A 44 -2.107 -6.814 -12.943 1.00 10.00 C ATOM 702 CH2 TRP A 44 -2.613 -7.267 -14.174 1.00 10.00 C ATOM 0 H TRP A 44 -5.770 -3.520 -8.048 1.00 10.00 H new ATOM 0 HA TRP A 44 -7.551 -4.505 -10.038 1.00 10.00 H new ATOM 0 HB2 TRP A 44 -5.160 -3.748 -10.292 1.00 10.00 H new ATOM 0 HB3 TRP A 44 -4.673 -5.267 -9.567 1.00 10.00 H new ATOM 0 HD1 TRP A 44 -7.498 -5.120 -12.158 1.00 10.00 H new ATOM 0 HE1 TRP A 44 -6.809 -6.434 -14.254 1.00 10.00 H new ATOM 0 HE3 TRP A 44 -2.556 -5.875 -11.058 1.00 10.00 H new ATOM 0 HZ2 TRP A 44 -4.383 -7.473 -15.399 1.00 10.00 H new ATOM 0 HZ3 TRP A 44 -1.057 -6.929 -12.719 1.00 10.00 H new ATOM 0 HH2 TRP A 44 -1.954 -7.726 -14.896 1.00 10.00 H new ATOM 713 N ASP A 45 -7.819 -6.992 -9.732 1.00 10.00 N ATOM 714 CA ASP A 45 -8.450 -8.264 -9.379 1.00 10.00 C ATOM 715 C ASP A 45 -8.306 -9.280 -10.525 1.00 10.00 C ATOM 716 O ASP A 45 -9.221 -10.043 -10.839 1.00 10.00 O ATOM 717 CB ASP A 45 -9.910 -8.023 -8.966 1.00 10.00 C ATOM 718 CG ASP A 45 -10.531 -9.280 -8.331 1.00 10.00 C ATOM 719 OD1 ASP A 45 -9.883 -9.891 -7.451 1.00 10.00 O ATOM 720 OD2 ASP A 45 -11.691 -9.621 -8.657 1.00 10.00 O ATOM 0 H ASP A 45 -7.966 -6.728 -10.706 1.00 10.00 H new ATOM 0 HA ASP A 45 -7.941 -8.702 -8.520 1.00 10.00 H new ATOM 0 HB2 ASP A 45 -9.957 -7.195 -8.258 1.00 10.00 H new ATOM 0 HB3 ASP A 45 -10.493 -7.729 -9.839 1.00 10.00 H new ATOM 725 N ARG A 46 -7.130 -9.271 -11.167 1.00 10.00 N ATOM 726 CA ARG A 46 -6.698 -10.257 -12.163 1.00 10.00 C ATOM 727 C ARG A 46 -7.642 -10.351 -13.373 1.00 10.00 C ATOM 728 O ARG A 46 -7.971 -11.448 -13.838 1.00 10.00 O ATOM 729 CB ARG A 46 -6.417 -11.607 -11.463 1.00 10.00 C ATOM 730 CG ARG A 46 -5.293 -12.363 -12.175 1.00 10.00 C ATOM 731 CD ARG A 46 -4.980 -13.699 -11.499 1.00 10.00 C ATOM 732 NE ARG A 46 -3.810 -14.334 -12.128 1.00 10.00 N ATOM 733 CZ ARG A 46 -3.436 -15.611 -11.979 1.00 10.00 C ATOM 734 NH1 ARG A 46 -4.129 -16.434 -11.195 1.00 10.00 N ATOM 735 NH2 ARG A 46 -2.361 -16.058 -12.619 1.00 10.00 N ATOM 0 H ARG A 46 -6.429 -8.550 -11.000 1.00 10.00 H new ATOM 0 HA ARG A 46 -5.762 -9.920 -12.607 1.00 10.00 H new ATOM 0 HB2 ARG A 46 -6.142 -11.432 -10.423 1.00 10.00 H new ATOM 0 HB3 ARG A 46 -7.322 -12.214 -11.456 1.00 10.00 H new ATOM 0 HG2 ARG A 46 -5.576 -12.540 -13.213 1.00 10.00 H new ATOM 0 HG3 ARG A 46 -4.395 -11.746 -12.191 1.00 10.00 H new ATOM 0 HD2 ARG A 46 -4.788 -13.540 -10.438 1.00 10.00 H new ATOM 0 HD3 ARG A 46 -5.843 -14.361 -11.571 1.00 10.00 H new ATOM 0 HE ARG A 46 -3.233 -13.749 -12.731 1.00 10.00 H new ATOM 0 HH11 ARG A 46 -4.954 -16.094 -10.701 1.00 10.00 H new ATOM 0 HH12 ARG A 46 -3.835 -17.405 -11.089 1.00 10.00 H new ATOM 0 HH21 ARG A 46 -1.827 -15.430 -13.219 1.00 10.00 H new ATOM 0 HH22 ARG A 46 -2.070 -17.030 -12.510 1.00 10.00 H new ATOM 749 N LYS A 47 -8.088 -9.203 -13.888 1.00 10.00 N ATOM 750 CA LYS A 47 -8.888 -9.088 -15.101 1.00 10.00 C ATOM 751 C LYS A 47 -8.372 -7.873 -15.846 1.00 10.00 C ATOM 752 O LYS A 47 -8.052 -7.996 -17.042 1.00 10.00 O ATOM 753 CB LYS A 47 -10.379 -8.962 -14.746 1.00 10.00 C ATOM 754 CG LYS A 47 -11.261 -8.927 -16.004 1.00 10.00 C ATOM 755 CD LYS A 47 -12.751 -8.856 -15.643 1.00 10.00 C ATOM 756 CE LYS A 47 -13.595 -8.814 -16.924 1.00 10.00 C ATOM 757 NZ LYS A 47 -15.049 -8.735 -16.639 1.00 10.00 N ATOM 758 OXT LYS A 47 -8.243 -6.809 -15.206 1.00 10.00 O ATOM 0 H LYS A 47 -7.894 -8.300 -13.455 1.00 10.00 H new ATOM 0 HA LYS A 47 -8.800 -9.974 -15.730 1.00 10.00 H new ATOM 0 HB2 LYS A 47 -10.676 -9.801 -14.117 1.00 10.00 H new ATOM 0 HB3 LYS A 47 -10.539 -8.055 -14.164 1.00 10.00 H new ATOM 0 HG2 LYS A 47 -10.992 -8.065 -16.615 1.00 10.00 H new ATOM 0 HG3 LYS A 47 -11.073 -9.816 -16.606 1.00 10.00 H new ATOM 0 HD2 LYS A 47 -13.030 -9.721 -15.041 1.00 10.00 H new ATOM 0 HD3 LYS A 47 -12.946 -7.970 -15.039 1.00 10.00 H new ATOM 0 HE2 LYS A 47 -13.298 -7.954 -17.524 1.00 10.00 H new ATOM 0 HE3 LYS A 47 -13.392 -9.704 -17.520 1.00 10.00 H new ATOM 0 HZ1 LYS A 47 -15.577 -8.709 -17.534 1.00 10.00 H new ATOM 0 HZ2 LYS A 47 -15.341 -9.568 -16.089 1.00 10.00 H new ATOM 0 HZ3 LYS A 47 -15.249 -7.873 -16.094 1.00 10.00 H new TER 772 LYS A 47