USER MOD reduce.3.24.130724 H: found=0, std=0, add=457, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 458 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 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.47 X(o=-0.47,f=-0.68) USER MOD Single : A 18 ASN : amide:sc= -0.148 K(o=-0.15,f=-2.1!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0.0265 X(o=0.026,f=-0.18) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ -136:sc= 1.2 (180deg=0.747) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.00705) USER MOD Single : A 51 SER OG : rot 86:sc= 0.59 USER MOD Single : A 52 GLN : amide:sc= -0.161 X(o=-0.16,f=-0.018) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -153:sc= 0.746 USER MOD Single : A 65 LYS NZ :NH3+ -134:sc= 0.0578 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.632 K(o=-0.63,f=0) USER MOD Single : A 69 TYR OH : rot -151:sc= 1.04 USER MOD ----------------------------------------------------------------- ATOM 66 N ASP A 8 1.750 4.938 0.828 1.00 0.00 N ATOM 67 CA ASP A 8 3.150 4.584 1.033 1.00 0.00 C ATOM 68 C ASP A 8 3.344 3.072 0.959 1.00 0.00 C ATOM 69 O ASP A 8 3.118 2.359 1.937 1.00 0.00 O ATOM 70 CB ASP A 8 3.639 5.108 2.384 1.00 0.00 C ATOM 71 CG ASP A 8 2.544 5.116 3.432 1.00 0.00 C ATOM 72 OD1 ASP A 8 1.553 4.375 3.262 1.00 0.00 O ATOM 73 OD2 ASP A 8 2.678 5.863 4.424 1.00 0.00 O ATOM 0 HA ASP A 8 3.736 5.047 0.239 1.00 0.00 H new ATOM 0 HB2 ASP A 8 4.467 4.490 2.732 1.00 0.00 H new ATOM 0 HB3 ASP A 8 4.026 6.119 2.260 1.00 0.00 H new ATOM 78 N TYR A 9 3.762 2.591 -0.206 1.00 0.00 N ATOM 79 CA TYR A 9 3.983 1.164 -0.408 1.00 0.00 C ATOM 80 C TYR A 9 4.822 0.576 0.722 1.00 0.00 C ATOM 81 O TYR A 9 4.558 -0.528 1.197 1.00 0.00 O ATOM 82 CB TYR A 9 4.673 0.918 -1.751 1.00 0.00 C ATOM 83 CG TYR A 9 3.797 1.219 -2.946 1.00 0.00 C ATOM 84 CD1 TYR A 9 2.470 0.811 -2.980 1.00 0.00 C ATOM 85 CD2 TYR A 9 4.297 1.913 -4.041 1.00 0.00 C ATOM 86 CE1 TYR A 9 1.666 1.083 -4.070 1.00 0.00 C ATOM 87 CE2 TYR A 9 3.501 2.191 -5.135 1.00 0.00 C ATOM 88 CZ TYR A 9 2.186 1.773 -5.145 1.00 0.00 C ATOM 89 OH TYR A 9 1.389 2.048 -6.233 1.00 0.00 O ATOM 0 H TYR A 9 3.955 3.168 -1.025 1.00 0.00 H new ATOM 0 HA TYR A 9 3.012 0.670 -0.410 1.00 0.00 H new ATOM 0 HB2 TYR A 9 5.572 1.532 -1.806 1.00 0.00 H new ATOM 0 HB3 TYR A 9 4.994 -0.122 -1.800 1.00 0.00 H new ATOM 0 HD1 TYR A 9 2.059 0.271 -2.139 1.00 0.00 H new ATOM 0 HD2 TYR A 9 5.326 2.241 -4.037 1.00 0.00 H new ATOM 0 HE1 TYR A 9 0.636 0.757 -4.080 1.00 0.00 H new ATOM 0 HE2 TYR A 9 3.905 2.732 -5.978 1.00 0.00 H new ATOM 0 HH TYR A 9 1.908 2.541 -6.902 1.00 0.00 H new ATOM 99 N TYR A 10 5.833 1.324 1.149 1.00 0.00 N ATOM 100 CA TYR A 10 6.713 0.879 2.223 1.00 0.00 C ATOM 101 C TYR A 10 5.912 0.521 3.471 1.00 0.00 C ATOM 102 O TYR A 10 6.250 -0.419 4.189 1.00 0.00 O ATOM 103 CB TYR A 10 7.738 1.965 2.555 1.00 0.00 C ATOM 104 CG TYR A 10 8.621 2.342 1.387 1.00 0.00 C ATOM 105 CD1 TYR A 10 9.363 1.380 0.713 1.00 0.00 C ATOM 106 CD2 TYR A 10 8.712 3.660 0.957 1.00 0.00 C ATOM 107 CE1 TYR A 10 10.171 1.720 -0.354 1.00 0.00 C ATOM 108 CE2 TYR A 10 9.517 4.009 -0.110 1.00 0.00 C ATOM 109 CZ TYR A 10 10.245 3.036 -0.762 1.00 0.00 C ATOM 110 OH TYR A 10 11.049 3.379 -1.825 1.00 0.00 O ATOM 0 H TYR A 10 6.064 2.242 0.768 1.00 0.00 H new ATOM 0 HA TYR A 10 7.237 -0.013 1.882 1.00 0.00 H new ATOM 0 HB2 TYR A 10 7.213 2.854 2.904 1.00 0.00 H new ATOM 0 HB3 TYR A 10 8.365 1.622 3.378 1.00 0.00 H new ATOM 0 HD1 TYR A 10 9.307 0.349 1.029 1.00 0.00 H new ATOM 0 HD2 TYR A 10 8.144 4.425 1.466 1.00 0.00 H new ATOM 0 HE1 TYR A 10 10.742 0.960 -0.866 1.00 0.00 H new ATOM 0 HE2 TYR A 10 9.576 5.038 -0.432 1.00 0.00 H new ATOM 0 HH TYR A 10 10.987 4.344 -1.984 1.00 0.00 H new ATOM 120 N GLN A 11 4.849 1.278 3.721 1.00 0.00 N ATOM 121 CA GLN A 11 3.999 1.042 4.881 1.00 0.00 C ATOM 122 C GLN A 11 3.092 -0.164 4.656 1.00 0.00 C ATOM 123 O GLN A 11 2.935 -1.008 5.538 1.00 0.00 O ATOM 124 CB GLN A 11 3.154 2.281 5.182 1.00 0.00 C ATOM 125 CG GLN A 11 3.880 3.325 6.015 1.00 0.00 C ATOM 126 CD GLN A 11 4.501 2.742 7.269 1.00 0.00 C ATOM 127 OE1 GLN A 11 5.686 2.408 7.292 1.00 0.00 O ATOM 128 NE2 GLN A 11 3.702 2.617 8.322 1.00 0.00 N ATOM 0 H GLN A 11 4.556 2.060 3.136 1.00 0.00 H new ATOM 0 HA GLN A 11 4.644 0.834 5.735 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.839 2.733 4.241 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.249 1.975 5.707 1.00 0.00 H new ATOM 0 HG2 GLN A 11 4.659 3.789 5.410 1.00 0.00 H new ATOM 0 HG3 GLN A 11 3.180 4.113 6.293 1.00 0.00 H new ATOM 0 HE21 GLN A 11 2.726 2.907 8.259 1.00 0.00 H new ATOM 0 HE22 GLN A 11 4.064 2.231 9.194 1.00 0.00 H new ATOM 137 N ILE A 12 2.499 -0.238 3.469 1.00 0.00 N ATOM 138 CA ILE A 12 1.609 -1.341 3.128 1.00 0.00 C ATOM 139 C ILE A 12 2.306 -2.685 3.305 1.00 0.00 C ATOM 140 O ILE A 12 1.720 -3.639 3.818 1.00 0.00 O ATOM 141 CB ILE A 12 1.099 -1.226 1.679 1.00 0.00 C ATOM 142 CG1 ILE A 12 0.190 -0.004 1.531 1.00 0.00 C ATOM 143 CG2 ILE A 12 0.363 -2.494 1.275 1.00 0.00 C ATOM 144 CD1 ILE A 12 -0.087 0.371 0.092 1.00 0.00 C ATOM 0 H ILE A 12 2.619 0.452 2.728 1.00 0.00 H new ATOM 0 HA ILE A 12 0.760 -1.283 3.809 1.00 0.00 H new ATOM 0 HB ILE A 12 1.955 -1.100 1.016 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.756 -0.201 2.035 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.650 0.845 2.037 1.00 0.00 H new ATOM 0 HG21 ILE A 12 0.009 -2.398 0.249 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.039 -3.346 1.347 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.487 -2.649 1.939 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.737 1.245 0.063 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.852 0.600 -0.411 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.576 -0.462 -0.413 1.00 0.00 H new ATOM 156 N LEU A 13 3.562 -2.754 2.878 1.00 0.00 N ATOM 157 CA LEU A 13 4.343 -3.981 2.990 1.00 0.00 C ATOM 158 C LEU A 13 5.021 -4.073 4.353 1.00 0.00 C ATOM 159 O LEU A 13 5.423 -5.152 4.787 1.00 0.00 O ATOM 160 CB LEU A 13 5.393 -4.044 1.880 1.00 0.00 C ATOM 161 CG LEU A 13 4.884 -4.444 0.495 1.00 0.00 C ATOM 162 CD1 LEU A 13 5.920 -4.120 -0.569 1.00 0.00 C ATOM 163 CD2 LEU A 13 4.528 -5.923 0.464 1.00 0.00 C ATOM 0 H LEU A 13 4.062 -1.974 2.451 1.00 0.00 H new ATOM 0 HA LEU A 13 3.662 -4.826 2.886 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.869 -3.066 1.802 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.166 -4.752 2.179 1.00 0.00 H new ATOM 0 HG LEU A 13 3.983 -3.870 0.281 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.540 -4.412 -1.548 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.125 -3.049 -0.564 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.840 -4.666 -0.360 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.168 -6.190 -0.530 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.412 -6.515 0.700 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.749 -6.125 1.199 1.00 0.00 H new ATOM 175 N GLY A 14 5.141 -2.933 5.027 1.00 0.00 N ATOM 176 CA GLY A 14 5.768 -2.906 6.335 1.00 0.00 C ATOM 177 C GLY A 14 7.282 -2.923 6.253 1.00 0.00 C ATOM 178 O GLY A 14 7.953 -3.470 7.128 1.00 0.00 O ATOM 0 H GLY A 14 4.815 -2.027 4.690 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.446 -2.013 6.870 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.429 -3.764 6.915 1.00 0.00 H new ATOM 182 N VAL A 15 7.822 -2.322 5.197 1.00 0.00 N ATOM 183 CA VAL A 15 9.266 -2.271 5.003 1.00 0.00 C ATOM 184 C VAL A 15 9.783 -0.840 5.102 1.00 0.00 C ATOM 185 O VAL A 15 9.072 0.125 4.817 1.00 0.00 O ATOM 186 CB VAL A 15 9.670 -2.858 3.637 1.00 0.00 C ATOM 187 CG1 VAL A 15 9.417 -4.357 3.605 1.00 0.00 C ATOM 188 CG2 VAL A 15 8.921 -2.157 2.514 1.00 0.00 C ATOM 0 H VAL A 15 7.281 -1.864 4.463 1.00 0.00 H new ATOM 0 HA VAL A 15 9.713 -2.872 5.795 1.00 0.00 H new ATOM 0 HB VAL A 15 10.737 -2.691 3.490 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.708 -4.754 2.633 1.00 0.00 H new ATOM 0 HG12 VAL A 15 10.003 -4.842 4.386 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.358 -4.551 3.774 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.218 -2.584 1.556 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.848 -2.291 2.653 1.00 0.00 H new ATOM 0 HG23 VAL A 15 9.159 -1.093 2.527 1.00 0.00 H new ATOM 198 N PRO A 16 11.051 -0.696 5.514 1.00 0.00 N ATOM 199 CA PRO A 16 11.693 0.614 5.659 1.00 0.00 C ATOM 200 C PRO A 16 11.951 1.286 4.314 1.00 0.00 C ATOM 201 O PRO A 16 12.116 0.613 3.296 1.00 0.00 O ATOM 202 CB PRO A 16 13.016 0.286 6.356 1.00 0.00 C ATOM 203 CG PRO A 16 13.297 -1.129 5.987 1.00 0.00 C ATOM 204 CD PRO A 16 11.957 -1.801 5.870 1.00 0.00 C ATOM 0 HA PRO A 16 11.067 1.315 6.211 1.00 0.00 H new ATOM 0 HB2 PRO A 16 13.815 0.948 6.022 1.00 0.00 H new ATOM 0 HB3 PRO A 16 12.934 0.405 7.436 1.00 0.00 H new ATOM 0 HG2 PRO A 16 13.845 -1.185 5.047 1.00 0.00 H new ATOM 0 HG3 PRO A 16 13.912 -1.615 6.744 1.00 0.00 H new ATOM 0 HD2 PRO A 16 11.963 -2.578 5.106 1.00 0.00 H new ATOM 0 HD3 PRO A 16 11.663 -2.276 6.806 1.00 0.00 H new ATOM 212 N ARG A 17 11.984 2.614 4.318 1.00 0.00 N ATOM 213 CA ARG A 17 12.221 3.376 3.098 1.00 0.00 C ATOM 214 C ARG A 17 13.573 3.018 2.488 1.00 0.00 C ATOM 215 O ARG A 17 13.808 3.239 1.301 1.00 0.00 O ATOM 216 CB ARG A 17 12.162 4.877 3.388 1.00 0.00 C ATOM 217 CG ARG A 17 10.853 5.324 4.017 1.00 0.00 C ATOM 218 CD ARG A 17 11.008 6.651 4.743 1.00 0.00 C ATOM 219 NE ARG A 17 9.729 7.162 5.230 1.00 0.00 N ATOM 220 CZ ARG A 17 8.822 7.735 4.448 1.00 0.00 C ATOM 221 NH1 ARG A 17 9.051 7.870 3.149 1.00 0.00 N ATOM 222 NH2 ARG A 17 7.681 8.175 4.965 1.00 0.00 N ATOM 0 H ARG A 17 11.850 3.185 5.153 1.00 0.00 H new ATOM 0 HA ARG A 17 11.439 3.121 2.383 1.00 0.00 H new ATOM 0 HB2 ARG A 17 12.984 5.143 4.052 1.00 0.00 H new ATOM 0 HB3 ARG A 17 12.314 5.425 2.458 1.00 0.00 H new ATOM 0 HG2 ARG A 17 10.090 5.418 3.244 1.00 0.00 H new ATOM 0 HG3 ARG A 17 10.506 4.564 4.717 1.00 0.00 H new ATOM 0 HD2 ARG A 17 11.692 6.527 5.583 1.00 0.00 H new ATOM 0 HD3 ARG A 17 11.458 7.382 4.071 1.00 0.00 H new ATOM 0 HE ARG A 17 9.522 7.074 6.225 1.00 0.00 H new ATOM 0 HH11 ARG A 17 9.926 7.533 2.748 1.00 0.00 H new ATOM 0 HH12 ARG A 17 8.352 8.311 2.551 1.00 0.00 H new ATOM 0 HH21 ARG A 17 7.501 8.073 5.964 1.00 0.00 H new ATOM 0 HH22 ARG A 17 6.985 8.615 4.363 1.00 0.00 H new ATOM 236 N ASN A 18 14.459 2.464 3.309 1.00 0.00 N ATOM 237 CA ASN A 18 15.788 2.076 2.851 1.00 0.00 C ATOM 238 C ASN A 18 15.902 0.559 2.732 1.00 0.00 C ATOM 239 O ASN A 18 16.961 -0.016 2.980 1.00 0.00 O ATOM 240 CB ASN A 18 16.856 2.605 3.811 1.00 0.00 C ATOM 241 CG ASN A 18 17.309 4.008 3.456 1.00 0.00 C ATOM 242 OD1 ASN A 18 16.875 4.578 2.455 1.00 0.00 O ATOM 243 ND2 ASN A 18 18.186 4.572 4.279 1.00 0.00 N ATOM 0 H ASN A 18 14.281 2.274 4.295 1.00 0.00 H new ATOM 0 HA ASN A 18 15.946 2.513 1.865 1.00 0.00 H new ATOM 0 HB2 ASN A 18 16.462 2.600 4.827 1.00 0.00 H new ATOM 0 HB3 ASN A 18 17.715 1.935 3.799 1.00 0.00 H new ATOM 0 HD21 ASN A 18 18.527 5.515 4.093 1.00 0.00 H new ATOM 0 HD22 ASN A 18 18.519 4.062 5.097 1.00 0.00 H new ATOM 250 N ALA A 19 14.803 -0.082 2.349 1.00 0.00 N ATOM 251 CA ALA A 19 14.780 -1.532 2.193 1.00 0.00 C ATOM 252 C ALA A 19 15.463 -1.956 0.898 1.00 0.00 C ATOM 253 O ALA A 19 15.788 -1.121 0.054 1.00 0.00 O ATOM 254 CB ALA A 19 13.347 -2.043 2.229 1.00 0.00 C ATOM 0 H ALA A 19 13.917 0.379 2.141 1.00 0.00 H new ATOM 0 HA ALA A 19 15.332 -1.971 3.024 1.00 0.00 H new ATOM 0 HB1 ALA A 19 13.344 -3.127 2.111 1.00 0.00 H new ATOM 0 HB2 ALA A 19 12.891 -1.780 3.183 1.00 0.00 H new ATOM 0 HB3 ALA A 19 12.778 -1.589 1.418 1.00 0.00 H new ATOM 260 N SER A 20 15.677 -3.259 0.747 1.00 0.00 N ATOM 261 CA SER A 20 16.326 -3.794 -0.445 1.00 0.00 C ATOM 262 C SER A 20 15.398 -4.752 -1.185 1.00 0.00 C ATOM 263 O SER A 20 14.568 -5.425 -0.574 1.00 0.00 O ATOM 264 CB SER A 20 17.622 -4.513 -0.066 1.00 0.00 C ATOM 265 OG SER A 20 18.256 -5.058 -1.210 1.00 0.00 O ATOM 0 H SER A 20 15.411 -3.964 1.435 1.00 0.00 H new ATOM 0 HA SER A 20 16.561 -2.960 -1.106 1.00 0.00 H new ATOM 0 HB2 SER A 20 18.297 -3.815 0.430 1.00 0.00 H new ATOM 0 HB3 SER A 20 17.405 -5.308 0.647 1.00 0.00 H new ATOM 0 HG SER A 20 19.083 -5.511 -0.941 1.00 0.00 H new ATOM 271 N GLN A 21 15.544 -4.806 -2.505 1.00 0.00 N ATOM 272 CA GLN A 21 14.719 -5.681 -3.329 1.00 0.00 C ATOM 273 C GLN A 21 14.406 -6.982 -2.598 1.00 0.00 C ATOM 274 O GLN A 21 13.271 -7.460 -2.616 1.00 0.00 O ATOM 275 CB GLN A 21 15.422 -5.982 -4.654 1.00 0.00 C ATOM 276 CG GLN A 21 15.953 -4.743 -5.356 1.00 0.00 C ATOM 277 CD GLN A 21 14.999 -3.568 -5.267 1.00 0.00 C ATOM 278 OE1 GLN A 21 15.347 -2.509 -4.745 1.00 0.00 O ATOM 279 NE2 GLN A 21 13.787 -3.749 -5.779 1.00 0.00 N ATOM 0 H GLN A 21 16.226 -4.254 -3.026 1.00 0.00 H new ATOM 0 HA GLN A 21 13.780 -5.166 -3.533 1.00 0.00 H new ATOM 0 HB2 GLN A 21 16.249 -6.667 -4.469 1.00 0.00 H new ATOM 0 HB3 GLN A 21 14.725 -6.495 -5.317 1.00 0.00 H new ATOM 0 HG2 GLN A 21 16.910 -4.463 -4.916 1.00 0.00 H new ATOM 0 HG3 GLN A 21 16.140 -4.976 -6.404 1.00 0.00 H new ATOM 0 HE21 GLN A 21 13.541 -4.644 -6.203 1.00 0.00 H new ATOM 0 HE22 GLN A 21 13.103 -2.993 -5.749 1.00 0.00 H new ATOM 288 N LYS A 22 15.420 -7.553 -1.957 1.00 0.00 N ATOM 289 CA LYS A 22 15.254 -8.799 -1.218 1.00 0.00 C ATOM 290 C LYS A 22 14.212 -8.644 -0.116 1.00 0.00 C ATOM 291 O LYS A 22 13.344 -9.499 0.054 1.00 0.00 O ATOM 292 CB LYS A 22 16.590 -9.239 -0.614 1.00 0.00 C ATOM 293 CG LYS A 22 17.637 -9.603 -1.652 1.00 0.00 C ATOM 294 CD LYS A 22 17.389 -10.984 -2.234 1.00 0.00 C ATOM 295 CE LYS A 22 18.010 -12.072 -1.372 1.00 0.00 C ATOM 296 NZ LYS A 22 17.671 -13.435 -1.868 1.00 0.00 N ATOM 0 H LYS A 22 16.366 -7.172 -1.934 1.00 0.00 H new ATOM 0 HA LYS A 22 14.908 -9.562 -1.915 1.00 0.00 H new ATOM 0 HB2 LYS A 22 16.977 -8.436 0.014 1.00 0.00 H new ATOM 0 HB3 LYS A 22 16.420 -10.098 0.035 1.00 0.00 H new ATOM 0 HG2 LYS A 22 17.630 -8.863 -2.452 1.00 0.00 H new ATOM 0 HG3 LYS A 22 18.627 -9.571 -1.198 1.00 0.00 H new ATOM 0 HD2 LYS A 22 16.316 -11.156 -2.322 1.00 0.00 H new ATOM 0 HD3 LYS A 22 17.803 -11.035 -3.241 1.00 0.00 H new ATOM 0 HE2 LYS A 22 19.093 -11.950 -1.358 1.00 0.00 H new ATOM 0 HE3 LYS A 22 17.663 -11.963 -0.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 18.113 -14.148 -1.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 16.639 -13.561 -1.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 18.024 -13.549 -2.840 1.00 0.00 H new ATOM 310 N GLU A 23 14.304 -7.547 0.630 1.00 0.00 N ATOM 311 CA GLU A 23 13.367 -7.281 1.715 1.00 0.00 C ATOM 312 C GLU A 23 11.932 -7.246 1.199 1.00 0.00 C ATOM 313 O GLU A 23 11.053 -7.924 1.733 1.00 0.00 O ATOM 314 CB GLU A 23 13.707 -5.955 2.398 1.00 0.00 C ATOM 315 CG GLU A 23 14.693 -6.096 3.546 1.00 0.00 C ATOM 316 CD GLU A 23 14.747 -4.862 4.424 1.00 0.00 C ATOM 317 OE1 GLU A 23 13.753 -4.105 4.445 1.00 0.00 O ATOM 318 OE2 GLU A 23 15.782 -4.651 5.091 1.00 0.00 O ATOM 0 H GLU A 23 15.017 -6.829 0.503 1.00 0.00 H new ATOM 0 HA GLU A 23 13.454 -8.089 2.441 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.120 -5.270 1.657 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.789 -5.503 2.773 1.00 0.00 H new ATOM 0 HG2 GLU A 23 14.416 -6.958 4.154 1.00 0.00 H new ATOM 0 HG3 GLU A 23 15.686 -6.295 3.144 1.00 0.00 H new ATOM 325 N ILE A 24 11.702 -6.452 0.158 1.00 0.00 N ATOM 326 CA ILE A 24 10.374 -6.330 -0.430 1.00 0.00 C ATOM 327 C ILE A 24 9.793 -7.699 -0.766 1.00 0.00 C ATOM 328 O ILE A 24 8.591 -7.926 -0.630 1.00 0.00 O ATOM 329 CB ILE A 24 10.402 -5.469 -1.707 1.00 0.00 C ATOM 330 CG1 ILE A 24 10.648 -4.001 -1.354 1.00 0.00 C ATOM 331 CG2 ILE A 24 9.099 -5.623 -2.478 1.00 0.00 C ATOM 332 CD1 ILE A 24 12.113 -3.626 -1.316 1.00 0.00 C ATOM 0 H ILE A 24 12.418 -5.884 -0.295 1.00 0.00 H new ATOM 0 HA ILE A 24 9.743 -5.843 0.314 1.00 0.00 H new ATOM 0 HB ILE A 24 11.220 -5.812 -2.341 1.00 0.00 H new ATOM 0 HG12 ILE A 24 10.139 -3.370 -2.083 1.00 0.00 H new ATOM 0 HG13 ILE A 24 10.202 -3.790 -0.382 1.00 0.00 H new ATOM 0 HG21 ILE A 24 9.134 -5.009 -3.378 1.00 0.00 H new ATOM 0 HG22 ILE A 24 8.963 -6.668 -2.757 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.266 -5.303 -1.852 1.00 0.00 H new ATOM 0 HD11 ILE A 24 12.212 -2.571 -1.060 1.00 0.00 H new ATOM 0 HD12 ILE A 24 12.624 -4.231 -0.567 1.00 0.00 H new ATOM 0 HD13 ILE A 24 12.560 -3.805 -2.294 1.00 0.00 H new ATOM 344 N LYS A 25 10.655 -8.610 -1.203 1.00 0.00 N ATOM 345 CA LYS A 25 10.230 -9.960 -1.556 1.00 0.00 C ATOM 346 C LYS A 25 9.746 -10.717 -0.324 1.00 0.00 C ATOM 347 O LYS A 25 8.563 -11.037 -0.203 1.00 0.00 O ATOM 348 CB LYS A 25 11.380 -10.723 -2.217 1.00 0.00 C ATOM 349 CG LYS A 25 10.925 -11.921 -3.032 1.00 0.00 C ATOM 350 CD LYS A 25 12.066 -12.896 -3.274 1.00 0.00 C ATOM 351 CE LYS A 25 12.830 -12.555 -4.545 1.00 0.00 C ATOM 352 NZ LYS A 25 12.208 -13.174 -5.748 1.00 0.00 N ATOM 0 H LYS A 25 11.653 -8.438 -1.322 1.00 0.00 H new ATOM 0 HA LYS A 25 9.402 -9.881 -2.261 1.00 0.00 H new ATOM 0 HB2 LYS A 25 11.932 -10.042 -2.865 1.00 0.00 H new ATOM 0 HB3 LYS A 25 12.072 -11.061 -1.445 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.114 -12.430 -2.511 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.526 -11.582 -3.988 1.00 0.00 H new ATOM 0 HD2 LYS A 25 12.747 -12.879 -2.423 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.671 -13.909 -3.346 1.00 0.00 H new ATOM 0 HE2 LYS A 25 12.863 -11.473 -4.669 1.00 0.00 H new ATOM 0 HE3 LYS A 25 13.861 -12.897 -4.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.757 -12.918 -6.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.199 -14.208 -5.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 11.233 -12.828 -5.851 1.00 0.00 H new ATOM 366 N LYS A 26 10.667 -11.000 0.591 1.00 0.00 N ATOM 367 CA LYS A 26 10.334 -11.717 1.816 1.00 0.00 C ATOM 368 C LYS A 26 9.060 -11.161 2.444 1.00 0.00 C ATOM 369 O LYS A 26 8.139 -11.909 2.768 1.00 0.00 O ATOM 370 CB LYS A 26 11.490 -11.625 2.815 1.00 0.00 C ATOM 371 CG LYS A 26 11.522 -12.767 3.816 1.00 0.00 C ATOM 372 CD LYS A 26 12.928 -13.017 4.333 1.00 0.00 C ATOM 373 CE LYS A 26 13.133 -14.476 4.711 1.00 0.00 C ATOM 374 NZ LYS A 26 14.550 -14.900 4.542 1.00 0.00 N ATOM 0 H LYS A 26 11.651 -10.743 0.507 1.00 0.00 H new ATOM 0 HA LYS A 26 10.165 -12.763 1.560 1.00 0.00 H new ATOM 0 HB2 LYS A 26 12.432 -11.607 2.267 1.00 0.00 H new ATOM 0 HB3 LYS A 26 11.418 -10.681 3.356 1.00 0.00 H new ATOM 0 HG2 LYS A 26 10.862 -12.537 4.652 1.00 0.00 H new ATOM 0 HG3 LYS A 26 11.139 -13.674 3.347 1.00 0.00 H new ATOM 0 HD2 LYS A 26 13.653 -12.733 3.570 1.00 0.00 H new ATOM 0 HD3 LYS A 26 13.115 -12.386 5.202 1.00 0.00 H new ATOM 0 HE2 LYS A 26 12.830 -14.629 5.747 1.00 0.00 H new ATOM 0 HE3 LYS A 26 12.490 -15.104 4.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 14.647 -15.900 4.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 14.833 -14.779 3.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 15.161 -14.318 5.149 1.00 0.00 H new ATOM 388 N ALA A 27 9.015 -9.843 2.610 1.00 0.00 N ATOM 389 CA ALA A 27 7.852 -9.187 3.195 1.00 0.00 C ATOM 390 C ALA A 27 6.634 -9.316 2.286 1.00 0.00 C ATOM 391 O ALA A 27 5.542 -9.657 2.741 1.00 0.00 O ATOM 392 CB ALA A 27 8.156 -7.721 3.469 1.00 0.00 C ATOM 0 H ALA A 27 9.770 -9.209 2.348 1.00 0.00 H new ATOM 0 HA ALA A 27 7.622 -9.682 4.139 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.279 -7.243 3.906 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.993 -7.647 4.163 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.414 -7.222 2.535 1.00 0.00 H new ATOM 398 N TYR A 28 6.828 -9.040 1.002 1.00 0.00 N ATOM 399 CA TYR A 28 5.744 -9.122 0.030 1.00 0.00 C ATOM 400 C TYR A 28 5.043 -10.474 0.109 1.00 0.00 C ATOM 401 O TYR A 28 3.852 -10.552 0.415 1.00 0.00 O ATOM 402 CB TYR A 28 6.281 -8.895 -1.384 1.00 0.00 C ATOM 403 CG TYR A 28 5.336 -9.356 -2.471 1.00 0.00 C ATOM 404 CD1 TYR A 28 4.011 -8.938 -2.490 1.00 0.00 C ATOM 405 CD2 TYR A 28 5.769 -10.207 -3.480 1.00 0.00 C ATOM 406 CE1 TYR A 28 3.144 -9.357 -3.481 1.00 0.00 C ATOM 407 CE2 TYR A 28 4.909 -10.630 -4.476 1.00 0.00 C ATOM 408 CZ TYR A 28 3.598 -10.202 -4.472 1.00 0.00 C ATOM 409 OH TYR A 28 2.738 -10.621 -5.461 1.00 0.00 O ATOM 0 H TYR A 28 7.726 -8.757 0.609 1.00 0.00 H new ATOM 0 HA TYR A 28 5.019 -8.343 0.266 1.00 0.00 H new ATOM 0 HB2 TYR A 28 6.487 -7.833 -1.519 1.00 0.00 H new ATOM 0 HB3 TYR A 28 7.230 -9.420 -1.492 1.00 0.00 H new ATOM 0 HD1 TYR A 28 3.653 -8.274 -1.717 1.00 0.00 H new ATOM 0 HD2 TYR A 28 6.795 -10.544 -3.486 1.00 0.00 H new ATOM 0 HE1 TYR A 28 2.116 -9.025 -3.480 1.00 0.00 H new ATOM 0 HE2 TYR A 28 5.262 -11.292 -5.253 1.00 0.00 H new ATOM 0 HH TYR A 28 3.215 -11.211 -6.081 1.00 0.00 H new ATOM 419 N TYR A 29 5.789 -11.537 -0.167 1.00 0.00 N ATOM 420 CA TYR A 29 5.240 -12.888 -0.129 1.00 0.00 C ATOM 421 C TYR A 29 4.510 -13.142 1.185 1.00 0.00 C ATOM 422 O TYR A 29 3.357 -13.574 1.193 1.00 0.00 O ATOM 423 CB TYR A 29 6.355 -13.919 -0.314 1.00 0.00 C ATOM 424 CG TYR A 29 6.737 -14.145 -1.759 1.00 0.00 C ATOM 425 CD1 TYR A 29 6.102 -15.116 -2.523 1.00 0.00 C ATOM 426 CD2 TYR A 29 7.735 -13.388 -2.361 1.00 0.00 C ATOM 427 CE1 TYR A 29 6.448 -15.326 -3.844 1.00 0.00 C ATOM 428 CE2 TYR A 29 8.088 -13.590 -3.681 1.00 0.00 C ATOM 429 CZ TYR A 29 7.441 -14.560 -4.418 1.00 0.00 C ATOM 430 OH TYR A 29 7.790 -14.766 -5.734 1.00 0.00 O ATOM 0 H TYR A 29 6.776 -11.490 -0.420 1.00 0.00 H new ATOM 0 HA TYR A 29 4.525 -12.986 -0.946 1.00 0.00 H new ATOM 0 HB2 TYR A 29 7.236 -13.592 0.239 1.00 0.00 H new ATOM 0 HB3 TYR A 29 6.038 -14.867 0.122 1.00 0.00 H new ATOM 0 HD1 TYR A 29 5.324 -15.717 -2.076 1.00 0.00 H new ATOM 0 HD2 TYR A 29 8.244 -12.628 -1.786 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.944 -16.085 -4.424 1.00 0.00 H new ATOM 0 HE2 TYR A 29 8.866 -12.992 -4.133 1.00 0.00 H new ATOM 0 HH TYR A 29 8.505 -14.144 -5.984 1.00 0.00 H new ATOM 440 N GLN A 30 5.189 -12.869 2.295 1.00 0.00 N ATOM 441 CA GLN A 30 4.605 -13.068 3.616 1.00 0.00 C ATOM 442 C GLN A 30 3.167 -12.560 3.658 1.00 0.00 C ATOM 443 O GLN A 30 2.255 -13.280 4.068 1.00 0.00 O ATOM 444 CB GLN A 30 5.441 -12.355 4.679 1.00 0.00 C ATOM 445 CG GLN A 30 6.611 -13.181 5.190 1.00 0.00 C ATOM 446 CD GLN A 30 6.195 -14.195 6.237 1.00 0.00 C ATOM 447 OE1 GLN A 30 6.112 -15.392 5.961 1.00 0.00 O ATOM 448 NE2 GLN A 30 5.931 -13.721 7.449 1.00 0.00 N ATOM 0 H GLN A 30 6.144 -12.510 2.305 1.00 0.00 H new ATOM 0 HA GLN A 30 4.599 -14.138 3.825 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.820 -11.421 4.264 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.798 -12.093 5.519 1.00 0.00 H new ATOM 0 HG2 GLN A 30 7.078 -13.700 4.353 1.00 0.00 H new ATOM 0 HG3 GLN A 30 7.364 -12.516 5.613 1.00 0.00 H new ATOM 0 HE21 GLN A 30 6.012 -12.721 7.635 1.00 0.00 H new ATOM 0 HE22 GLN A 30 5.647 -14.357 8.194 1.00 0.00 H new ATOM 457 N LEU A 31 2.971 -11.318 3.231 1.00 0.00 N ATOM 458 CA LEU A 31 1.644 -10.713 3.220 1.00 0.00 C ATOM 459 C LEU A 31 0.765 -11.349 2.148 1.00 0.00 C ATOM 460 O LEU A 31 -0.324 -11.844 2.438 1.00 0.00 O ATOM 461 CB LEU A 31 1.751 -9.206 2.979 1.00 0.00 C ATOM 462 CG LEU A 31 2.258 -8.373 4.157 1.00 0.00 C ATOM 463 CD1 LEU A 31 2.877 -7.074 3.664 1.00 0.00 C ATOM 464 CD2 LEU A 31 1.129 -8.090 5.136 1.00 0.00 C ATOM 0 H LEU A 31 3.714 -10.710 2.888 1.00 0.00 H new ATOM 0 HA LEU A 31 1.184 -10.888 4.193 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.414 -9.040 2.130 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.768 -8.833 2.693 1.00 0.00 H new ATOM 0 HG LEU A 31 3.027 -8.944 4.677 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.232 -6.494 4.516 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.714 -7.298 3.003 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.129 -6.498 3.120 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.509 -7.496 5.968 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.337 -7.539 4.629 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.731 -9.032 5.514 1.00 0.00 H new ATOM 476 N ALA A 32 1.246 -11.335 0.909 1.00 0.00 N ATOM 477 CA ALA A 32 0.506 -11.915 -0.205 1.00 0.00 C ATOM 478 C ALA A 32 -0.074 -13.274 0.169 1.00 0.00 C ATOM 479 O ALA A 32 -1.141 -13.659 -0.309 1.00 0.00 O ATOM 480 CB ALA A 32 1.404 -12.039 -1.427 1.00 0.00 C ATOM 0 H ALA A 32 2.145 -10.928 0.652 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.324 -11.250 -0.444 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.839 -12.474 -2.251 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.765 -11.052 -1.715 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.253 -12.681 -1.191 1.00 0.00 H new ATOM 486 N LYS A 33 0.636 -13.999 1.027 1.00 0.00 N ATOM 487 CA LYS A 33 0.193 -15.317 1.467 1.00 0.00 C ATOM 488 C LYS A 33 -0.823 -15.199 2.599 1.00 0.00 C ATOM 489 O LYS A 33 -1.760 -15.993 2.691 1.00 0.00 O ATOM 490 CB LYS A 33 1.389 -16.154 1.926 1.00 0.00 C ATOM 491 CG LYS A 33 1.008 -17.321 2.820 1.00 0.00 C ATOM 492 CD LYS A 33 0.300 -18.414 2.038 1.00 0.00 C ATOM 493 CE LYS A 33 -0.675 -19.185 2.916 1.00 0.00 C ATOM 494 NZ LYS A 33 -2.015 -18.536 2.958 1.00 0.00 N ATOM 0 H LYS A 33 1.522 -13.696 1.432 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.286 -15.812 0.622 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.913 -16.535 1.049 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.088 -15.511 2.461 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.904 -17.729 3.288 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.360 -16.969 3.623 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -0.236 -17.973 1.198 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.037 -19.100 1.621 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.776 -20.203 2.540 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.274 -19.257 3.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.365 -18.525 3.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.939 -17.560 2.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.678 -19.069 2.359 1.00 0.00 H new ATOM 508 N LYS A 34 -0.632 -14.204 3.458 1.00 0.00 N ATOM 509 CA LYS A 34 -1.533 -13.980 4.582 1.00 0.00 C ATOM 510 C LYS A 34 -2.898 -13.502 4.099 1.00 0.00 C ATOM 511 O LYS A 34 -3.925 -13.810 4.705 1.00 0.00 O ATOM 512 CB LYS A 34 -0.933 -12.954 5.547 1.00 0.00 C ATOM 513 CG LYS A 34 -1.883 -12.530 6.653 1.00 0.00 C ATOM 514 CD LYS A 34 -1.479 -11.195 7.254 1.00 0.00 C ATOM 515 CE LYS A 34 -0.471 -11.374 8.380 1.00 0.00 C ATOM 516 NZ LYS A 34 -0.505 -10.236 9.340 1.00 0.00 N ATOM 0 H LYS A 34 0.139 -13.539 3.397 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.664 -14.928 5.104 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.032 -13.373 5.995 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.629 -12.072 4.983 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.896 -12.460 6.257 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -1.898 -13.291 7.433 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.051 -10.560 6.478 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.363 -10.683 7.633 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.680 -12.303 8.910 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.531 -11.465 7.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.196 -10.395 10.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -0.281 -9.353 8.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.454 -10.165 9.760 1.00 0.00 H new ATOM 530 N TYR A 35 -2.902 -12.748 3.005 1.00 0.00 N ATOM 531 CA TYR A 35 -4.142 -12.226 2.442 1.00 0.00 C ATOM 532 C TYR A 35 -4.431 -12.858 1.083 1.00 0.00 C ATOM 533 O TYR A 35 -4.926 -12.197 0.170 1.00 0.00 O ATOM 534 CB TYR A 35 -4.063 -10.705 2.303 1.00 0.00 C ATOM 535 CG TYR A 35 -3.865 -9.987 3.618 1.00 0.00 C ATOM 536 CD1 TYR A 35 -4.921 -9.814 4.504 1.00 0.00 C ATOM 537 CD2 TYR A 35 -2.622 -9.479 3.975 1.00 0.00 C ATOM 538 CE1 TYR A 35 -4.745 -9.158 5.707 1.00 0.00 C ATOM 539 CE2 TYR A 35 -2.436 -8.822 5.176 1.00 0.00 C ATOM 540 CZ TYR A 35 -3.501 -8.664 6.038 1.00 0.00 C ATOM 541 OH TYR A 35 -3.320 -8.009 7.235 1.00 0.00 O ATOM 0 H TYR A 35 -2.061 -12.485 2.491 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.955 -12.480 3.122 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -3.241 -10.452 1.633 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -4.979 -10.343 1.835 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -5.897 -10.199 4.248 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.786 -9.600 3.302 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -5.577 -9.033 6.384 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -1.463 -8.435 5.438 1.00 0.00 H new ATOM 0 HH TYR A 35 -2.385 -7.725 7.314 1.00 0.00 H new ATOM 551 N HIS A 36 -4.118 -14.144 0.958 1.00 0.00 N ATOM 552 CA HIS A 36 -4.345 -14.868 -0.288 1.00 0.00 C ATOM 553 C HIS A 36 -5.838 -15.019 -0.565 1.00 0.00 C ATOM 554 O HIS A 36 -6.640 -15.258 0.338 1.00 0.00 O ATOM 555 CB HIS A 36 -3.683 -16.245 -0.231 1.00 0.00 C ATOM 556 CG HIS A 36 -3.233 -16.750 -1.567 1.00 0.00 C ATOM 557 ND1 HIS A 36 -4.053 -17.462 -2.417 1.00 0.00 N ATOM 558 CD2 HIS A 36 -2.042 -16.640 -2.200 1.00 0.00 C ATOM 559 CE1 HIS A 36 -3.384 -17.770 -3.514 1.00 0.00 C ATOM 560 NE2 HIS A 36 -2.161 -17.282 -3.408 1.00 0.00 N ATOM 0 H HIS A 36 -3.707 -14.706 1.704 1.00 0.00 H new ATOM 0 HA HIS A 36 -3.899 -14.293 -1.099 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -2.824 -16.198 0.439 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -4.385 -16.959 0.200 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -1.161 -16.140 -1.825 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -3.771 -18.326 -4.355 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -1.425 -17.368 -4.109 1.00 0.00 H new ATOM 704 N ALA A 46 -10.420 -8.574 1.377 1.00 0.00 N ATOM 705 CA ALA A 46 -9.199 -9.208 0.896 1.00 0.00 C ATOM 706 C ALA A 46 -8.931 -8.848 -0.561 1.00 0.00 C ATOM 707 O ALA A 46 -7.790 -8.591 -0.948 1.00 0.00 O ATOM 708 CB ALA A 46 -9.288 -10.718 1.061 1.00 0.00 C ATOM 0 HA ALA A 46 -8.366 -8.837 1.494 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -8.369 -11.178 0.698 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -9.424 -10.961 2.115 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.135 -11.097 0.489 1.00 0.00 H new ATOM 714 N LYS A 47 -9.988 -8.832 -1.366 1.00 0.00 N ATOM 715 CA LYS A 47 -9.867 -8.503 -2.781 1.00 0.00 C ATOM 716 C LYS A 47 -9.154 -7.168 -2.971 1.00 0.00 C ATOM 717 O LYS A 47 -8.391 -6.992 -3.920 1.00 0.00 O ATOM 718 CB LYS A 47 -11.251 -8.451 -3.434 1.00 0.00 C ATOM 719 CG LYS A 47 -11.227 -8.706 -4.931 1.00 0.00 C ATOM 720 CD LYS A 47 -12.622 -8.973 -5.473 1.00 0.00 C ATOM 721 CE LYS A 47 -13.323 -7.682 -5.867 1.00 0.00 C ATOM 722 NZ LYS A 47 -14.778 -7.891 -6.105 1.00 0.00 N ATOM 0 H LYS A 47 -10.939 -9.043 -1.062 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.274 -9.283 -3.260 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.896 -9.190 -2.958 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -11.695 -7.473 -3.248 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -10.796 -7.844 -5.441 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -10.583 -9.559 -5.146 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -12.557 -9.632 -6.339 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -13.213 -9.494 -4.719 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.187 -6.940 -5.080 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -12.862 -7.279 -6.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -15.219 -6.988 -6.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -14.909 -8.580 -6.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -15.223 -8.251 -5.237 1.00 0.00 H new ATOM 736 N GLU A 48 -9.407 -6.232 -2.061 1.00 0.00 N ATOM 737 CA GLU A 48 -8.788 -4.914 -2.130 1.00 0.00 C ATOM 738 C GLU A 48 -7.389 -4.938 -1.521 1.00 0.00 C ATOM 739 O GLU A 48 -6.469 -4.293 -2.024 1.00 0.00 O ATOM 740 CB GLU A 48 -9.654 -3.881 -1.405 1.00 0.00 C ATOM 741 CG GLU A 48 -8.891 -2.636 -0.983 1.00 0.00 C ATOM 742 CD GLU A 48 -8.423 -1.810 -2.165 1.00 0.00 C ATOM 743 OE1 GLU A 48 -7.864 -2.397 -3.116 1.00 0.00 O ATOM 744 OE2 GLU A 48 -8.614 -0.576 -2.139 1.00 0.00 O ATOM 0 H GLU A 48 -10.036 -6.362 -1.268 1.00 0.00 H new ATOM 0 HA GLU A 48 -8.704 -4.634 -3.180 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.478 -3.589 -2.056 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.094 -4.344 -0.522 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -9.528 -2.023 -0.345 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.028 -2.929 -0.385 1.00 0.00 H new ATOM 751 N LYS A 49 -7.236 -5.686 -0.433 1.00 0.00 N ATOM 752 CA LYS A 49 -5.951 -5.796 0.246 1.00 0.00 C ATOM 753 C LYS A 49 -4.895 -6.391 -0.680 1.00 0.00 C ATOM 754 O LYS A 49 -3.791 -5.860 -0.801 1.00 0.00 O ATOM 755 CB LYS A 49 -6.087 -6.659 1.503 1.00 0.00 C ATOM 756 CG LYS A 49 -6.680 -5.917 2.688 1.00 0.00 C ATOM 757 CD LYS A 49 -6.678 -6.777 3.941 1.00 0.00 C ATOM 758 CE LYS A 49 -7.858 -7.737 3.961 1.00 0.00 C ATOM 759 NZ LYS A 49 -8.204 -8.163 5.345 1.00 0.00 N ATOM 0 H LYS A 49 -7.987 -6.225 -0.003 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.634 -4.794 0.533 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.713 -7.522 1.275 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -5.104 -7.042 1.779 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -6.110 -5.006 2.870 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -7.701 -5.614 2.455 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -5.747 -7.342 3.994 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -6.713 -6.137 4.823 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -8.723 -7.259 3.502 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -7.622 -8.615 3.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -8.669 -9.093 5.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -7.337 -8.227 5.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -8.848 -7.467 5.772 1.00 0.00 H new ATOM 773 N PHE A 50 -5.242 -7.495 -1.333 1.00 0.00 N ATOM 774 CA PHE A 50 -4.324 -8.162 -2.249 1.00 0.00 C ATOM 775 C PHE A 50 -3.863 -7.208 -3.347 1.00 0.00 C ATOM 776 O PHE A 50 -2.671 -7.107 -3.635 1.00 0.00 O ATOM 777 CB PHE A 50 -4.994 -9.389 -2.872 1.00 0.00 C ATOM 778 CG PHE A 50 -4.021 -10.355 -3.485 1.00 0.00 C ATOM 779 CD1 PHE A 50 -3.124 -11.053 -2.693 1.00 0.00 C ATOM 780 CD2 PHE A 50 -4.006 -10.567 -4.855 1.00 0.00 C ATOM 781 CE1 PHE A 50 -2.228 -11.942 -3.255 1.00 0.00 C ATOM 782 CE2 PHE A 50 -3.112 -11.456 -5.423 1.00 0.00 C ATOM 783 CZ PHE A 50 -2.222 -12.145 -4.621 1.00 0.00 C ATOM 0 H PHE A 50 -6.152 -7.947 -1.245 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.451 -8.482 -1.680 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -5.573 -9.905 -2.106 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -5.698 -9.060 -3.636 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.125 -10.900 -1.624 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -4.700 -10.032 -5.486 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.533 -12.478 -2.626 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -3.109 -11.612 -6.492 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.523 -12.841 -5.062 1.00 0.00 H new ATOM 793 N SER A 51 -4.817 -6.511 -3.956 1.00 0.00 N ATOM 794 CA SER A 51 -4.510 -5.569 -5.026 1.00 0.00 C ATOM 795 C SER A 51 -3.462 -4.557 -4.574 1.00 0.00 C ATOM 796 O SER A 51 -2.590 -4.163 -5.348 1.00 0.00 O ATOM 797 CB SER A 51 -5.779 -4.840 -5.472 1.00 0.00 C ATOM 798 OG SER A 51 -6.723 -5.746 -6.017 1.00 0.00 O ATOM 0 H SER A 51 -5.808 -6.581 -3.727 1.00 0.00 H new ATOM 0 HA SER A 51 -4.108 -6.132 -5.868 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.220 -4.318 -4.623 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.526 -4.083 -6.215 1.00 0.00 H new ATOM 0 HG SER A 51 -7.265 -6.127 -5.295 1.00 0.00 H new ATOM 804 N GLN A 52 -3.554 -4.141 -3.315 1.00 0.00 N ATOM 805 CA GLN A 52 -2.614 -3.174 -2.759 1.00 0.00 C ATOM 806 C GLN A 52 -1.221 -3.781 -2.631 1.00 0.00 C ATOM 807 O GLN A 52 -0.219 -3.135 -2.940 1.00 0.00 O ATOM 808 CB GLN A 52 -3.099 -2.687 -1.393 1.00 0.00 C ATOM 809 CG GLN A 52 -4.175 -1.616 -1.475 1.00 0.00 C ATOM 810 CD GLN A 52 -3.623 -0.264 -1.880 1.00 0.00 C ATOM 811 OE1 GLN A 52 -3.688 0.123 -3.047 1.00 0.00 O ATOM 812 NE2 GLN A 52 -3.075 0.465 -0.914 1.00 0.00 N ATOM 0 H GLN A 52 -4.269 -4.458 -2.661 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.559 -2.325 -3.440 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -3.486 -3.537 -0.830 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.250 -2.295 -0.834 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.935 -1.924 -2.193 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.669 -1.528 -0.507 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.042 0.106 0.040 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -2.687 1.384 -1.126 1.00 0.00 H new ATOM 821 N LEU A 53 -1.164 -5.027 -2.173 1.00 0.00 N ATOM 822 CA LEU A 53 0.107 -5.722 -2.003 1.00 0.00 C ATOM 823 C LEU A 53 0.806 -5.915 -3.345 1.00 0.00 C ATOM 824 O LEU A 53 1.848 -5.314 -3.605 1.00 0.00 O ATOM 825 CB LEU A 53 -0.117 -7.079 -1.332 1.00 0.00 C ATOM 826 CG LEU A 53 -0.533 -7.040 0.139 1.00 0.00 C ATOM 827 CD1 LEU A 53 -1.101 -8.384 0.569 1.00 0.00 C ATOM 828 CD2 LEU A 53 0.647 -6.652 1.017 1.00 0.00 C ATOM 0 H LEU A 53 -1.983 -5.576 -1.913 1.00 0.00 H new ATOM 0 HA LEU A 53 0.746 -5.109 -1.366 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.883 -7.616 -1.891 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.803 -7.658 -1.414 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.311 -6.286 0.257 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.392 -8.337 1.619 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.974 -8.621 -0.039 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.345 -9.158 0.436 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.332 -6.629 2.060 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.447 -7.382 0.895 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.009 -5.666 0.726 1.00 0.00 H new ATOM 840 N ALA A 54 0.224 -6.756 -4.194 1.00 0.00 N ATOM 841 CA ALA A 54 0.789 -7.024 -5.510 1.00 0.00 C ATOM 842 C ALA A 54 1.241 -5.735 -6.187 1.00 0.00 C ATOM 843 O ALA A 54 2.282 -5.700 -6.842 1.00 0.00 O ATOM 844 CB ALA A 54 -0.225 -7.752 -6.381 1.00 0.00 C ATOM 0 H ALA A 54 -0.638 -7.263 -3.994 1.00 0.00 H new ATOM 0 HA ALA A 54 1.664 -7.661 -5.379 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.210 -7.946 -7.361 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.496 -8.697 -5.911 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.116 -7.135 -6.495 1.00 0.00 H new ATOM 850 N GLU A 55 0.452 -4.678 -6.024 1.00 0.00 N ATOM 851 CA GLU A 55 0.772 -3.387 -6.621 1.00 0.00 C ATOM 852 C GLU A 55 2.017 -2.783 -5.978 1.00 0.00 C ATOM 853 O GLU A 55 2.895 -2.264 -6.666 1.00 0.00 O ATOM 854 CB GLU A 55 -0.409 -2.425 -6.475 1.00 0.00 C ATOM 855 CG GLU A 55 -0.102 -1.010 -6.936 1.00 0.00 C ATOM 856 CD GLU A 55 -0.358 -0.812 -8.418 1.00 0.00 C ATOM 857 OE1 GLU A 55 -1.360 -1.358 -8.925 1.00 0.00 O ATOM 858 OE2 GLU A 55 0.444 -0.111 -9.070 1.00 0.00 O ATOM 0 H GLU A 55 -0.413 -4.690 -5.484 1.00 0.00 H new ATOM 0 HA GLU A 55 0.973 -3.546 -7.681 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.253 -2.810 -7.048 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.718 -2.399 -5.430 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.711 -0.307 -6.368 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.940 -0.778 -6.717 1.00 0.00 H new ATOM 865 N ALA A 56 2.085 -2.856 -4.652 1.00 0.00 N ATOM 866 CA ALA A 56 3.221 -2.319 -3.915 1.00 0.00 C ATOM 867 C ALA A 56 4.520 -2.998 -4.337 1.00 0.00 C ATOM 868 O ALA A 56 5.526 -2.334 -4.589 1.00 0.00 O ATOM 869 CB ALA A 56 3.002 -2.478 -2.418 1.00 0.00 C ATOM 0 H ALA A 56 1.366 -3.282 -4.067 1.00 0.00 H new ATOM 0 HA ALA A 56 3.304 -1.257 -4.148 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.859 -2.072 -1.880 1.00 0.00 H new ATOM 0 HB2 ALA A 56 2.101 -1.941 -2.123 1.00 0.00 H new ATOM 0 HB3 ALA A 56 2.889 -3.535 -2.177 1.00 0.00 H new ATOM 875 N TYR A 57 4.492 -4.324 -4.410 1.00 0.00 N ATOM 876 CA TYR A 57 5.668 -5.093 -4.799 1.00 0.00 C ATOM 877 C TYR A 57 6.024 -4.844 -6.261 1.00 0.00 C ATOM 878 O TYR A 57 7.123 -4.390 -6.574 1.00 0.00 O ATOM 879 CB TYR A 57 5.426 -6.586 -4.568 1.00 0.00 C ATOM 880 CG TYR A 57 6.500 -7.471 -5.158 1.00 0.00 C ATOM 881 CD1 TYR A 57 6.455 -7.857 -6.492 1.00 0.00 C ATOM 882 CD2 TYR A 57 7.559 -7.923 -4.381 1.00 0.00 C ATOM 883 CE1 TYR A 57 7.434 -8.667 -7.035 1.00 0.00 C ATOM 884 CE2 TYR A 57 8.543 -8.732 -4.916 1.00 0.00 C ATOM 885 CZ TYR A 57 8.476 -9.101 -6.243 1.00 0.00 C ATOM 886 OH TYR A 57 9.454 -9.908 -6.780 1.00 0.00 O ATOM 0 H TYR A 57 3.668 -4.889 -4.205 1.00 0.00 H new ATOM 0 HA TYR A 57 6.504 -4.767 -4.181 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.361 -6.773 -3.496 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.463 -6.861 -4.999 1.00 0.00 H new ATOM 0 HD1 TYR A 57 5.641 -7.518 -7.115 1.00 0.00 H new ATOM 0 HD2 TYR A 57 7.614 -7.637 -3.341 1.00 0.00 H new ATOM 0 HE1 TYR A 57 7.383 -8.958 -8.074 1.00 0.00 H new ATOM 0 HE2 TYR A 57 9.360 -9.074 -4.298 1.00 0.00 H new ATOM 0 HH TYR A 57 10.116 -10.124 -6.090 1.00 0.00 H new ATOM 896 N GLU A 58 5.083 -5.144 -7.152 1.00 0.00 N ATOM 897 CA GLU A 58 5.297 -4.952 -8.581 1.00 0.00 C ATOM 898 C GLU A 58 6.103 -3.684 -8.846 1.00 0.00 C ATOM 899 O GLU A 58 6.941 -3.644 -9.748 1.00 0.00 O ATOM 900 CB GLU A 58 3.956 -4.880 -9.315 1.00 0.00 C ATOM 901 CG GLU A 58 4.093 -4.736 -10.821 1.00 0.00 C ATOM 902 CD GLU A 58 2.765 -4.478 -11.506 1.00 0.00 C ATOM 903 OE1 GLU A 58 2.072 -3.517 -11.113 1.00 0.00 O ATOM 904 OE2 GLU A 58 2.419 -5.238 -12.435 1.00 0.00 O ATOM 0 H GLU A 58 4.167 -5.520 -6.909 1.00 0.00 H new ATOM 0 HA GLU A 58 5.863 -5.805 -8.955 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.383 -5.781 -9.095 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.385 -4.036 -8.928 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.777 -3.917 -11.043 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.538 -5.643 -11.230 1.00 0.00 H new ATOM 911 N VAL A 59 5.844 -2.649 -8.053 1.00 0.00 N ATOM 912 CA VAL A 59 6.546 -1.379 -8.200 1.00 0.00 C ATOM 913 C VAL A 59 7.950 -1.455 -7.611 1.00 0.00 C ATOM 914 O VAL A 59 8.943 -1.315 -8.326 1.00 0.00 O ATOM 915 CB VAL A 59 5.776 -0.231 -7.520 1.00 0.00 C ATOM 916 CG1 VAL A 59 6.553 1.072 -7.631 1.00 0.00 C ATOM 917 CG2 VAL A 59 4.389 -0.087 -8.126 1.00 0.00 C ATOM 0 H VAL A 59 5.153 -2.665 -7.302 1.00 0.00 H new ATOM 0 HA VAL A 59 6.615 -1.177 -9.269 1.00 0.00 H new ATOM 0 HB VAL A 59 5.662 -0.470 -6.463 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.994 1.872 -7.145 1.00 0.00 H new ATOM 0 HG12 VAL A 59 7.522 0.960 -7.145 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.700 1.319 -8.682 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.860 0.729 -7.633 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.478 0.129 -9.191 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.834 -1.015 -7.989 1.00 0.00 H new ATOM 927 N LEU A 60 8.025 -1.679 -6.304 1.00 0.00 N ATOM 928 CA LEU A 60 9.309 -1.775 -5.617 1.00 0.00 C ATOM 929 C LEU A 60 10.199 -2.827 -6.271 1.00 0.00 C ATOM 930 O LEU A 60 11.280 -2.515 -6.772 1.00 0.00 O ATOM 931 CB LEU A 60 9.096 -2.116 -4.142 1.00 0.00 C ATOM 932 CG LEU A 60 8.198 -1.161 -3.354 1.00 0.00 C ATOM 933 CD1 LEU A 60 7.742 -1.806 -2.055 1.00 0.00 C ATOM 934 CD2 LEU A 60 8.926 0.147 -3.076 1.00 0.00 C ATOM 0 H LEU A 60 7.213 -1.798 -5.699 1.00 0.00 H new ATOM 0 HA LEU A 60 9.806 -0.808 -5.692 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.670 -3.118 -4.079 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.070 -2.152 -3.654 1.00 0.00 H new ATOM 0 HG LEU A 60 7.316 -0.942 -3.956 1.00 0.00 H new ATOM 0 HD11 LEU A 60 7.104 -1.111 -1.508 1.00 0.00 H new ATOM 0 HD12 LEU A 60 7.182 -2.715 -2.277 1.00 0.00 H new ATOM 0 HD13 LEU A 60 8.612 -2.055 -1.447 1.00 0.00 H new ATOM 0 HD21 LEU A 60 8.273 0.815 -2.515 1.00 0.00 H new ATOM 0 HD22 LEU A 60 9.826 -0.054 -2.494 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.202 0.618 -4.020 1.00 0.00 H new ATOM 946 N SER A 61 9.737 -4.073 -6.265 1.00 0.00 N ATOM 947 CA SER A 61 10.492 -5.171 -6.856 1.00 0.00 C ATOM 948 C SER A 61 11.161 -4.734 -8.155 1.00 0.00 C ATOM 949 O SER A 61 12.247 -5.203 -8.496 1.00 0.00 O ATOM 950 CB SER A 61 9.573 -6.366 -7.119 1.00 0.00 C ATOM 951 OG SER A 61 8.454 -5.986 -7.901 1.00 0.00 O ATOM 0 H SER A 61 8.843 -4.347 -5.857 1.00 0.00 H new ATOM 0 HA SER A 61 11.268 -5.467 -6.150 1.00 0.00 H new ATOM 0 HB2 SER A 61 10.129 -7.151 -7.632 1.00 0.00 H new ATOM 0 HB3 SER A 61 9.233 -6.783 -6.171 1.00 0.00 H new ATOM 0 HG SER A 61 7.701 -6.582 -7.706 1.00 0.00 H new ATOM 957 N ASP A 62 10.505 -3.831 -8.876 1.00 0.00 N ATOM 958 CA ASP A 62 11.035 -3.328 -10.138 1.00 0.00 C ATOM 959 C ASP A 62 11.896 -2.089 -9.910 1.00 0.00 C ATOM 960 O ASP A 62 11.384 -1.015 -9.599 1.00 0.00 O ATOM 961 CB ASP A 62 9.893 -3.000 -11.101 1.00 0.00 C ATOM 962 CG ASP A 62 10.360 -2.900 -12.540 1.00 0.00 C ATOM 963 OD1 ASP A 62 11.514 -2.477 -12.761 1.00 0.00 O ATOM 964 OD2 ASP A 62 9.571 -3.244 -13.445 1.00 0.00 O ATOM 0 H ASP A 62 9.605 -3.432 -8.608 1.00 0.00 H new ATOM 0 HA ASP A 62 11.658 -4.106 -10.578 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.124 -3.769 -11.024 1.00 0.00 H new ATOM 0 HB3 ASP A 62 9.432 -2.058 -10.805 1.00 0.00 H new ATOM 969 N GLU A 63 13.207 -2.249 -10.066 1.00 0.00 N ATOM 970 CA GLU A 63 14.139 -1.144 -9.875 1.00 0.00 C ATOM 971 C GLU A 63 13.653 0.108 -10.599 1.00 0.00 C ATOM 972 O GLU A 63 13.827 1.226 -10.114 1.00 0.00 O ATOM 973 CB GLU A 63 15.532 -1.530 -10.378 1.00 0.00 C ATOM 974 CG GLU A 63 15.558 -1.945 -11.839 1.00 0.00 C ATOM 975 CD GLU A 63 16.650 -2.953 -12.140 1.00 0.00 C ATOM 976 OE1 GLU A 63 17.829 -2.650 -11.859 1.00 0.00 O ATOM 977 OE2 GLU A 63 16.327 -4.043 -12.656 1.00 0.00 O ATOM 0 H GLU A 63 13.647 -3.132 -10.324 1.00 0.00 H new ATOM 0 HA GLU A 63 14.193 -0.928 -8.808 1.00 0.00 H new ATOM 0 HB2 GLU A 63 16.207 -0.686 -10.237 1.00 0.00 H new ATOM 0 HB3 GLU A 63 15.915 -2.349 -9.769 1.00 0.00 H new ATOM 0 HG2 GLU A 63 14.592 -2.371 -12.109 1.00 0.00 H new ATOM 0 HG3 GLU A 63 15.703 -1.062 -12.461 1.00 0.00 H new ATOM 984 N VAL A 64 13.043 -0.088 -11.764 1.00 0.00 N ATOM 985 CA VAL A 64 12.531 1.025 -12.555 1.00 0.00 C ATOM 986 C VAL A 64 11.344 1.689 -11.867 1.00 0.00 C ATOM 987 O VAL A 64 11.435 2.829 -11.410 1.00 0.00 O ATOM 988 CB VAL A 64 12.103 0.563 -13.961 1.00 0.00 C ATOM 989 CG1 VAL A 64 11.530 1.727 -14.754 1.00 0.00 C ATOM 990 CG2 VAL A 64 13.277 -0.067 -14.695 1.00 0.00 C ATOM 0 H VAL A 64 12.891 -1.007 -12.181 1.00 0.00 H new ATOM 0 HA VAL A 64 13.342 1.747 -12.648 1.00 0.00 H new ATOM 0 HB VAL A 64 11.324 -0.192 -13.855 1.00 0.00 H new ATOM 0 HG11 VAL A 64 11.233 1.382 -15.744 1.00 0.00 H new ATOM 0 HG12 VAL A 64 10.660 2.128 -14.234 1.00 0.00 H new ATOM 0 HG13 VAL A 64 12.285 2.507 -14.853 1.00 0.00 H new ATOM 0 HG21 VAL A 64 12.957 -0.388 -15.686 1.00 0.00 H new ATOM 0 HG22 VAL A 64 14.080 0.664 -14.792 1.00 0.00 H new ATOM 0 HG23 VAL A 64 13.637 -0.929 -14.134 1.00 0.00 H new ATOM 1000 N LYS A 65 10.230 0.968 -11.795 1.00 0.00 N ATOM 1001 CA LYS A 65 9.024 1.485 -11.160 1.00 0.00 C ATOM 1002 C LYS A 65 9.353 2.160 -9.832 1.00 0.00 C ATOM 1003 O LYS A 65 8.950 3.296 -9.586 1.00 0.00 O ATOM 1004 CB LYS A 65 8.017 0.355 -10.934 1.00 0.00 C ATOM 1005 CG LYS A 65 7.619 -0.368 -12.209 1.00 0.00 C ATOM 1006 CD LYS A 65 6.536 -1.402 -11.949 1.00 0.00 C ATOM 1007 CE LYS A 65 5.714 -1.675 -13.199 1.00 0.00 C ATOM 1008 NZ LYS A 65 6.392 -2.641 -14.108 1.00 0.00 N ATOM 0 H LYS A 65 10.138 0.023 -12.169 1.00 0.00 H new ATOM 0 HA LYS A 65 8.584 2.228 -11.825 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.442 -0.365 -10.235 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.123 0.765 -10.464 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.264 0.355 -12.943 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.493 -0.856 -12.640 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.993 -2.329 -11.603 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.881 -1.052 -11.151 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.738 -2.068 -12.913 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.538 -0.739 -13.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.351 -2.286 -15.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.386 -2.750 -13.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.913 -3.563 -14.054 1.00 0.00 H new ATOM 1022 N ARG A 66 10.090 1.453 -8.982 1.00 0.00 N ATOM 1023 CA ARG A 66 10.474 1.983 -7.679 1.00 0.00 C ATOM 1024 C ARG A 66 11.092 3.371 -7.819 1.00 0.00 C ATOM 1025 O ARG A 66 10.607 4.341 -7.236 1.00 0.00 O ATOM 1026 CB ARG A 66 11.462 1.040 -6.991 1.00 0.00 C ATOM 1027 CG ARG A 66 11.753 1.411 -5.546 1.00 0.00 C ATOM 1028 CD ARG A 66 12.469 0.285 -4.816 1.00 0.00 C ATOM 1029 NE ARG A 66 13.288 0.782 -3.714 1.00 0.00 N ATOM 1030 CZ ARG A 66 14.419 1.458 -3.885 1.00 0.00 C ATOM 1031 NH1 ARG A 66 14.862 1.716 -5.107 1.00 0.00 N ATOM 1032 NH2 ARG A 66 15.109 1.877 -2.832 1.00 0.00 N ATOM 0 H ARG A 66 10.433 0.512 -9.172 1.00 0.00 H new ATOM 0 HA ARG A 66 9.575 2.063 -7.068 1.00 0.00 H new ATOM 0 HB2 ARG A 66 11.066 0.025 -7.024 1.00 0.00 H new ATOM 0 HB3 ARG A 66 12.397 1.035 -7.551 1.00 0.00 H new ATOM 0 HG2 ARG A 66 12.365 2.312 -5.517 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.819 1.643 -5.033 1.00 0.00 H new ATOM 0 HD2 ARG A 66 11.734 -0.423 -4.431 1.00 0.00 H new ATOM 0 HD3 ARG A 66 13.099 -0.260 -5.519 1.00 0.00 H new ATOM 0 HE ARG A 66 12.975 0.600 -2.761 1.00 0.00 H new ATOM 0 HH11 ARG A 66 14.334 1.395 -5.919 1.00 0.00 H new ATOM 0 HH12 ARG A 66 15.731 2.235 -5.236 1.00 0.00 H new ATOM 0 HH21 ARG A 66 14.771 1.680 -1.890 1.00 0.00 H new ATOM 0 HH22 ARG A 66 15.977 2.396 -2.965 1.00 0.00 H new ATOM 1046 N LYS A 67 12.167 3.459 -8.595 1.00 0.00 N ATOM 1047 CA LYS A 67 12.853 4.728 -8.813 1.00 0.00 C ATOM 1048 C LYS A 67 11.851 5.865 -8.987 1.00 0.00 C ATOM 1049 O LYS A 67 11.965 6.907 -8.343 1.00 0.00 O ATOM 1050 CB LYS A 67 13.757 4.637 -10.044 1.00 0.00 C ATOM 1051 CG LYS A 67 15.166 4.164 -9.731 1.00 0.00 C ATOM 1052 CD LYS A 67 16.157 4.625 -10.787 1.00 0.00 C ATOM 1053 CE LYS A 67 16.730 5.994 -10.453 1.00 0.00 C ATOM 1054 NZ LYS A 67 17.868 5.901 -9.497 1.00 0.00 N ATOM 0 H LYS A 67 12.583 2.666 -9.084 1.00 0.00 H new ATOM 0 HA LYS A 67 13.465 4.938 -7.936 1.00 0.00 H new ATOM 0 HB2 LYS A 67 13.306 3.956 -10.766 1.00 0.00 H new ATOM 0 HB3 LYS A 67 13.809 5.617 -10.519 1.00 0.00 H new ATOM 0 HG2 LYS A 67 15.470 4.544 -8.755 1.00 0.00 H new ATOM 0 HG3 LYS A 67 15.180 3.076 -9.668 1.00 0.00 H new ATOM 0 HD2 LYS A 67 16.967 3.900 -10.868 1.00 0.00 H new ATOM 0 HD3 LYS A 67 15.664 4.663 -11.758 1.00 0.00 H new ATOM 0 HE2 LYS A 67 17.064 6.481 -11.369 1.00 0.00 H new ATOM 0 HE3 LYS A 67 15.947 6.621 -10.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 18.230 6.855 -9.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 17.544 5.459 -8.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 18.626 5.324 -9.914 1.00 0.00 H new ATOM 1068 N GLN A 68 10.871 5.655 -9.859 1.00 0.00 N ATOM 1069 CA GLN A 68 9.849 6.664 -10.116 1.00 0.00 C ATOM 1070 C GLN A 68 8.988 6.894 -8.878 1.00 0.00 C ATOM 1071 O GLN A 68 8.578 8.020 -8.596 1.00 0.00 O ATOM 1072 CB GLN A 68 8.968 6.239 -11.293 1.00 0.00 C ATOM 1073 CG GLN A 68 9.710 6.180 -12.618 1.00 0.00 C ATOM 1074 CD GLN A 68 8.883 5.553 -13.723 1.00 0.00 C ATOM 1075 OE1 GLN A 68 8.425 6.239 -14.637 1.00 0.00 O ATOM 1076 NE2 GLN A 68 8.686 4.242 -13.644 1.00 0.00 N ATOM 0 H GLN A 68 10.762 4.797 -10.399 1.00 0.00 H new ATOM 0 HA GLN A 68 10.351 7.599 -10.366 1.00 0.00 H new ATOM 0 HB2 GLN A 68 8.541 5.259 -11.081 1.00 0.00 H new ATOM 0 HB3 GLN A 68 8.135 6.936 -11.383 1.00 0.00 H new ATOM 0 HG2 GLN A 68 9.999 7.189 -12.913 1.00 0.00 H new ATOM 0 HG3 GLN A 68 10.630 5.610 -12.490 1.00 0.00 H new ATOM 0 HE21 GLN A 68 9.084 3.712 -12.869 1.00 0.00 H new ATOM 0 HE22 GLN A 68 8.136 3.765 -14.359 1.00 0.00 H new ATOM 1085 N TYR A 69 8.718 5.821 -8.144 1.00 0.00 N ATOM 1086 CA TYR A 69 7.904 5.906 -6.937 1.00 0.00 C ATOM 1087 C TYR A 69 8.580 6.778 -5.884 1.00 0.00 C ATOM 1088 O TYR A 69 7.922 7.548 -5.184 1.00 0.00 O ATOM 1089 CB TYR A 69 7.648 4.509 -6.370 1.00 0.00 C ATOM 1090 CG TYR A 69 7.268 4.509 -4.907 1.00 0.00 C ATOM 1091 CD1 TYR A 69 6.278 5.357 -4.426 1.00 0.00 C ATOM 1092 CD2 TYR A 69 7.899 3.661 -4.005 1.00 0.00 C ATOM 1093 CE1 TYR A 69 5.929 5.361 -3.089 1.00 0.00 C ATOM 1094 CE2 TYR A 69 7.555 3.658 -2.667 1.00 0.00 C ATOM 1095 CZ TYR A 69 6.570 4.510 -2.214 1.00 0.00 C ATOM 1096 OH TYR A 69 6.224 4.510 -0.882 1.00 0.00 O ATOM 0 H TYR A 69 9.051 4.882 -8.363 1.00 0.00 H new ATOM 0 HA TYR A 69 6.951 6.363 -7.204 1.00 0.00 H new ATOM 0 HB2 TYR A 69 6.852 4.034 -6.943 1.00 0.00 H new ATOM 0 HB3 TYR A 69 8.543 3.902 -6.504 1.00 0.00 H new ATOM 0 HD1 TYR A 69 5.773 6.024 -5.109 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.672 2.993 -4.356 1.00 0.00 H new ATOM 0 HE1 TYR A 69 5.158 6.027 -2.731 1.00 0.00 H new ATOM 0 HE2 TYR A 69 8.055 2.992 -1.979 1.00 0.00 H new ATOM 0 HH TYR A 69 6.999 4.249 -0.343 1.00 0.00 H new ATOM 1106 N ASP A 70 9.898 6.652 -5.778 1.00 0.00 N ATOM 1107 CA ASP A 70 10.666 7.430 -4.812 1.00 0.00 C ATOM 1108 C ASP A 70 10.789 8.883 -5.259 1.00 0.00 C ATOM 1109 O ASP A 70 10.664 9.803 -4.452 1.00 0.00 O ATOM 1110 CB ASP A 70 12.056 6.821 -4.625 1.00 0.00 C ATOM 1111 CG ASP A 70 12.631 7.101 -3.250 1.00 0.00 C ATOM 1112 OD1 ASP A 70 12.069 6.592 -2.258 1.00 0.00 O ATOM 1113 OD2 ASP A 70 13.641 7.830 -3.166 1.00 0.00 O ATOM 0 H ASP A 70 10.457 6.018 -6.349 1.00 0.00 H new ATOM 0 HA ASP A 70 10.136 7.406 -3.860 1.00 0.00 H new ATOM 0 HB2 ASP A 70 12.001 5.743 -4.780 1.00 0.00 H new ATOM 0 HB3 ASP A 70 12.729 7.219 -5.385 1.00 0.00 H new