USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 742 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 25 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 68 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 8 THR OG1 : rot -119:sc= 0 USER MOD Set 2.2: A 86 ASN : amide:sc= -4.02! C(o=-4!,f=-4.3!) USER MOD Single : A 9 SER OG : rot 180:sc= -0.963 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 6:sc= 0.0656 USER MOD Single : A 18 SER OG : rot 19:sc= 0.00977 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0354 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl -124:sc= -0.533 (180deg=-1.92) USER MOD Single : A 33 HIS : no HD1:sc= -2.41! C(o=-2.4!,f=-2.4!) USER MOD Single : A 42 TYR OH : rot 70:sc= -1.02 USER MOD Single : A 46 TYR OH : rot 180:sc= -0.222 USER MOD Single : A 47 CYS SG : rot -39:sc= 0.0281 USER MOD Single : A 51 THR OG1 : rot -172:sc= -0.639 USER MOD Single : A 58 ASN : amide:sc= -1.49 K(o=-1.5,f=-2.3!) USER MOD Single : A 59 LYS NZ :NH3+ 165:sc= -0.0223 (180deg=-0.242) USER MOD Single : A 64 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0567) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0428 USER MOD Single : A 66 LYS NZ :NH3+ -143:sc= -0.906 (180deg=-2.49!) USER MOD Single : A 70 THR OG1 : rot 29:sc= 0.0121 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 120:sc= -0.0383 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 130:sc= -0.0317 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -20.334 -2.616 -0.430 1.00 0.00 N ATOM 60 CA GLY A 7 -20.972 -1.313 -0.403 1.00 0.00 C ATOM 61 C GLY A 7 -20.144 -0.277 0.332 1.00 0.00 C ATOM 62 O GLY A 7 -20.672 0.498 1.131 1.00 0.00 O ATOM 0 HA2 GLY A 7 -21.146 -0.976 -1.425 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -21.948 -1.399 0.075 1.00 0.00 H new ATOM 66 N THR A 8 -18.842 -0.263 0.063 1.00 0.00 N ATOM 67 CA THR A 8 -17.940 0.683 0.707 1.00 0.00 C ATOM 68 C THR A 8 -17.012 1.337 -0.310 1.00 0.00 C ATOM 69 O THR A 8 -16.869 0.855 -1.434 1.00 0.00 O ATOM 70 CB THR A 8 -17.090 -0.002 1.794 1.00 0.00 C ATOM 71 OG1 THR A 8 -16.870 -1.375 1.451 1.00 0.00 O ATOM 72 CG2 THR A 8 -17.774 0.084 3.150 1.00 0.00 C ATOM 0 H THR A 8 -18.389 -0.896 -0.596 1.00 0.00 H new ATOM 0 HA THR A 8 -18.563 1.448 1.171 1.00 0.00 H new ATOM 0 HB THR A 8 -16.132 0.515 1.855 1.00 0.00 H new ATOM 0 HG1 THR A 8 -17.254 -1.951 2.145 1.00 0.00 H new ATOM 0 HG21 THR A 8 -17.155 -0.406 3.901 1.00 0.00 H new ATOM 0 HG22 THR A 8 -17.914 1.130 3.421 1.00 0.00 H new ATOM 0 HG23 THR A 8 -18.744 -0.410 3.100 1.00 0.00 H new ATOM 80 N SER A 9 -16.383 2.437 0.091 1.00 0.00 N ATOM 81 CA SER A 9 -15.470 3.159 -0.788 1.00 0.00 C ATOM 82 C SER A 9 -14.035 2.677 -0.596 1.00 0.00 C ATOM 83 O SER A 9 -13.606 2.352 0.511 1.00 0.00 O ATOM 84 CB SER A 9 -15.555 4.663 -0.521 1.00 0.00 C ATOM 85 OG SER A 9 -15.277 5.406 -1.695 1.00 0.00 O ATOM 0 H SER A 9 -16.489 2.848 1.019 1.00 0.00 H new ATOM 0 HA SER A 9 -15.766 2.962 -1.819 1.00 0.00 H new ATOM 0 HB2 SER A 9 -16.550 4.915 -0.155 1.00 0.00 H new ATOM 0 HB3 SER A 9 -14.848 4.937 0.262 1.00 0.00 H new ATOM 0 HG SER A 9 -15.339 6.364 -1.498 1.00 0.00 H new ATOM 91 N PRO A 10 -13.275 2.630 -1.700 1.00 0.00 N ATOM 92 CA PRO A 10 -11.877 2.190 -1.680 1.00 0.00 C ATOM 93 C PRO A 10 -10.965 3.189 -0.975 1.00 0.00 C ATOM 94 O PRO A 10 -11.353 4.318 -0.677 1.00 0.00 O ATOM 95 CB PRO A 10 -11.516 2.090 -3.164 1.00 0.00 C ATOM 96 CG PRO A 10 -12.444 3.036 -3.844 1.00 0.00 C ATOM 97 CD PRO A 10 -13.722 3.004 -3.052 1.00 0.00 C ATOM 0 HA PRO A 10 -11.751 1.256 -1.133 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.475 2.363 -3.337 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.645 1.073 -3.535 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -12.026 4.042 -3.869 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.618 2.737 -4.878 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -14.222 3.973 -3.057 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -14.428 2.279 -3.457 1.00 0.00 H new ATOM 105 N PRO A 11 -9.722 2.765 -0.703 1.00 0.00 N ATOM 106 CA PRO A 11 -8.728 3.608 -0.031 1.00 0.00 C ATOM 107 C PRO A 11 -8.249 4.755 -0.914 1.00 0.00 C ATOM 108 O PRO A 11 -7.743 4.536 -2.015 1.00 0.00 O ATOM 109 CB PRO A 11 -7.578 2.640 0.258 1.00 0.00 C ATOM 110 CG PRO A 11 -7.715 1.571 -0.771 1.00 0.00 C ATOM 111 CD PRO A 11 -9.190 1.431 -1.029 1.00 0.00 C ATOM 0 HA PRO A 11 -9.135 4.086 0.860 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -6.612 3.139 0.184 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -7.649 2.231 1.266 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.183 1.838 -1.684 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -7.290 0.632 -0.417 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -9.393 1.160 -2.065 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -9.636 0.657 -0.404 1.00 0.00 H new ATOM 119 N THR A 12 -8.411 5.981 -0.424 1.00 0.00 N ATOM 120 CA THR A 12 -7.995 7.162 -1.169 1.00 0.00 C ATOM 121 C THR A 12 -6.796 7.834 -0.510 1.00 0.00 C ATOM 122 O THR A 12 -6.250 7.329 0.472 1.00 0.00 O ATOM 123 CB THR A 12 -9.142 8.184 -1.286 1.00 0.00 C ATOM 124 OG1 THR A 12 -9.516 8.652 0.015 1.00 0.00 O ATOM 125 CG2 THR A 12 -10.349 7.566 -1.975 1.00 0.00 C ATOM 0 H THR A 12 -8.827 6.181 0.485 1.00 0.00 H new ATOM 0 HA THR A 12 -7.715 6.824 -2.167 1.00 0.00 H new ATOM 0 HB THR A 12 -8.791 9.024 -1.886 1.00 0.00 H new ATOM 0 HG1 THR A 12 -10.244 9.302 -0.068 1.00 0.00 H new ATOM 0 HG21 THR A 12 -11.146 8.306 -2.046 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.068 7.238 -2.976 1.00 0.00 H new ATOM 0 HG23 THR A 12 -10.699 6.710 -1.397 1.00 0.00 H new ATOM 133 N LEU A 13 -6.391 8.976 -1.054 1.00 0.00 N ATOM 134 CA LEU A 13 -5.255 9.719 -0.518 1.00 0.00 C ATOM 135 C LEU A 13 -4.043 8.810 -0.346 1.00 0.00 C ATOM 136 O LEU A 13 -3.316 8.908 0.644 1.00 0.00 O ATOM 137 CB LEU A 13 -5.625 10.355 0.823 1.00 0.00 C ATOM 138 CG LEU A 13 -6.463 11.632 0.752 1.00 0.00 C ATOM 139 CD1 LEU A 13 -7.060 11.955 2.113 1.00 0.00 C ATOM 140 CD2 LEU A 13 -5.622 12.795 0.247 1.00 0.00 C ATOM 0 H LEU A 13 -6.832 9.408 -1.866 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.998 10.505 -1.228 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.171 9.619 1.413 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.705 10.578 1.363 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.280 11.469 0.049 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.653 12.867 2.043 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.697 11.132 2.435 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.258 12.098 2.837 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.235 13.695 0.203 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.784 12.959 0.925 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.244 12.565 -0.749 1.00 0.00 H new ATOM 152 N LEU A 14 -3.828 7.929 -1.316 1.00 0.00 N ATOM 153 CA LEU A 14 -2.701 7.003 -1.274 1.00 0.00 C ATOM 154 C LEU A 14 -1.452 7.638 -1.876 1.00 0.00 C ATOM 155 O LEU A 14 -1.372 7.852 -3.086 1.00 0.00 O ATOM 156 CB LEU A 14 -3.045 5.716 -2.025 1.00 0.00 C ATOM 157 CG LEU A 14 -1.985 4.614 -1.987 1.00 0.00 C ATOM 158 CD1 LEU A 14 -0.751 5.033 -2.771 1.00 0.00 C ATOM 159 CD2 LEU A 14 -1.617 4.276 -0.550 1.00 0.00 C ATOM 0 H LEU A 14 -4.419 7.836 -2.142 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.498 6.764 -0.230 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.972 5.316 -1.614 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.241 5.968 -3.067 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.401 3.721 -2.453 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.008 4.237 -2.733 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.026 5.223 -3.808 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.333 5.940 -2.334 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.862 3.490 -0.543 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.221 5.164 -0.057 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.504 3.931 -0.019 1.00 0.00 H new ATOM 171 N THR A 15 -0.477 7.938 -1.023 1.00 0.00 N ATOM 172 CA THR A 15 0.769 8.547 -1.470 1.00 0.00 C ATOM 173 C THR A 15 1.959 8.006 -0.685 1.00 0.00 C ATOM 174 O THR A 15 1.809 7.534 0.442 1.00 0.00 O ATOM 175 CB THR A 15 0.728 10.080 -1.326 1.00 0.00 C ATOM 176 OG1 THR A 15 -0.079 10.648 -2.364 1.00 0.00 O ATOM 177 CG2 THR A 15 2.130 10.668 -1.388 1.00 0.00 C ATOM 0 H THR A 15 -0.527 7.769 -0.018 1.00 0.00 H new ATOM 0 HA THR A 15 0.886 8.291 -2.523 1.00 0.00 H new ATOM 0 HB THR A 15 0.294 10.320 -0.356 1.00 0.00 H new ATOM 0 HG1 THR A 15 -0.506 9.930 -2.876 1.00 0.00 H new ATOM 0 HG21 THR A 15 2.075 11.752 -1.284 1.00 0.00 H new ATOM 0 HG22 THR A 15 2.733 10.256 -0.579 1.00 0.00 H new ATOM 0 HG23 THR A 15 2.587 10.418 -2.345 1.00 0.00 H new ATOM 185 N VAL A 16 3.142 8.079 -1.287 1.00 0.00 N ATOM 186 CA VAL A 16 4.358 7.598 -0.643 1.00 0.00 C ATOM 187 C VAL A 16 4.852 8.587 0.407 1.00 0.00 C ATOM 188 O VAL A 16 5.570 9.536 0.091 1.00 0.00 O ATOM 189 CB VAL A 16 5.479 7.355 -1.671 1.00 0.00 C ATOM 190 CG1 VAL A 16 6.599 6.531 -1.055 1.00 0.00 C ATOM 191 CG2 VAL A 16 4.924 6.672 -2.912 1.00 0.00 C ATOM 0 H VAL A 16 3.284 8.467 -2.220 1.00 0.00 H new ATOM 0 HA VAL A 16 4.108 6.654 -0.159 1.00 0.00 H new ATOM 0 HB VAL A 16 5.891 8.319 -1.968 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.382 6.369 -1.796 1.00 0.00 H new ATOM 0 HG12 VAL A 16 7.014 7.063 -0.199 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.205 5.569 -0.728 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.729 6.508 -3.628 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.485 5.714 -2.634 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.160 7.304 -3.364 1.00 0.00 H new ATOM 201 N ASP A 17 4.463 8.358 1.656 1.00 0.00 N ATOM 202 CA ASP A 17 4.868 9.229 2.754 1.00 0.00 C ATOM 203 C ASP A 17 6.381 9.425 2.763 1.00 0.00 C ATOM 204 O ASP A 17 6.872 10.543 2.608 1.00 0.00 O ATOM 205 CB ASP A 17 4.409 8.645 4.091 1.00 0.00 C ATOM 206 CG ASP A 17 4.129 9.717 5.126 1.00 0.00 C ATOM 207 OD1 ASP A 17 5.083 10.149 5.807 1.00 0.00 O ATOM 208 OD2 ASP A 17 2.956 10.126 5.253 1.00 0.00 O ATOM 0 H ASP A 17 3.868 7.577 1.934 1.00 0.00 H new ATOM 0 HA ASP A 17 4.395 10.200 2.608 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.508 8.051 3.935 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.175 7.969 4.471 1.00 0.00 H new ATOM 213 N SER A 18 7.113 8.331 2.947 1.00 0.00 N ATOM 214 CA SER A 18 8.570 8.383 2.981 1.00 0.00 C ATOM 215 C SER A 18 9.174 7.175 2.272 1.00 0.00 C ATOM 216 O SER A 18 8.488 6.186 2.012 1.00 0.00 O ATOM 217 CB SER A 18 9.065 8.440 4.427 1.00 0.00 C ATOM 218 OG SER A 18 8.990 9.759 4.941 1.00 0.00 O ATOM 0 H SER A 18 6.721 7.398 3.075 1.00 0.00 H new ATOM 0 HA SER A 18 8.889 9.285 2.459 1.00 0.00 H new ATOM 0 HB2 SER A 18 8.467 7.771 5.046 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.094 8.085 4.476 1.00 0.00 H new ATOM 0 HG SER A 18 8.371 10.288 4.395 1.00 0.00 H new ATOM 224 N VAL A 19 10.463 7.263 1.960 1.00 0.00 N ATOM 225 CA VAL A 19 11.161 6.178 1.282 1.00 0.00 C ATOM 226 C VAL A 19 12.600 6.058 1.773 1.00 0.00 C ATOM 227 O VAL A 19 13.316 7.054 1.882 1.00 0.00 O ATOM 228 CB VAL A 19 11.167 6.382 -0.245 1.00 0.00 C ATOM 229 CG1 VAL A 19 12.137 5.416 -0.909 1.00 0.00 C ATOM 230 CG2 VAL A 19 9.764 6.215 -0.809 1.00 0.00 C ATOM 0 H VAL A 19 11.045 8.075 2.166 1.00 0.00 H new ATOM 0 HA VAL A 19 10.622 5.260 1.517 1.00 0.00 H new ATOM 0 HB VAL A 19 11.501 7.397 -0.458 1.00 0.00 H new ATOM 0 HG11 VAL A 19 12.128 5.575 -1.987 1.00 0.00 H new ATOM 0 HG12 VAL A 19 13.143 5.589 -0.525 1.00 0.00 H new ATOM 0 HG13 VAL A 19 11.837 4.391 -0.691 1.00 0.00 H new ATOM 0 HG21 VAL A 19 9.786 6.362 -1.889 1.00 0.00 H new ATOM 0 HG22 VAL A 19 9.400 5.212 -0.587 1.00 0.00 H new ATOM 0 HG23 VAL A 19 9.100 6.951 -0.356 1.00 0.00 H new ATOM 240 N THR A 20 13.018 4.831 2.068 1.00 0.00 N ATOM 241 CA THR A 20 14.371 4.580 2.549 1.00 0.00 C ATOM 242 C THR A 20 15.052 3.490 1.729 1.00 0.00 C ATOM 243 O THR A 20 14.481 2.423 1.501 1.00 0.00 O ATOM 244 CB THR A 20 14.373 4.168 4.033 1.00 0.00 C ATOM 245 OG1 THR A 20 13.322 4.845 4.731 1.00 0.00 O ATOM 246 CG2 THR A 20 15.710 4.490 4.682 1.00 0.00 C ATOM 0 H THR A 20 12.439 3.996 1.982 1.00 0.00 H new ATOM 0 HA THR A 20 14.924 5.513 2.439 1.00 0.00 H new ATOM 0 HB THR A 20 14.210 3.092 4.089 1.00 0.00 H new ATOM 0 HG1 THR A 20 13.329 4.576 5.673 1.00 0.00 H new ATOM 0 HG21 THR A 20 15.687 4.190 5.730 1.00 0.00 H new ATOM 0 HG22 THR A 20 16.504 3.949 4.167 1.00 0.00 H new ATOM 0 HG23 THR A 20 15.898 5.562 4.615 1.00 0.00 H new ATOM 254 N ASP A 21 16.275 3.764 1.289 1.00 0.00 N ATOM 255 CA ASP A 21 17.035 2.804 0.496 1.00 0.00 C ATOM 256 C ASP A 21 16.817 1.384 1.007 1.00 0.00 C ATOM 257 O ASP A 21 16.913 0.418 0.248 1.00 0.00 O ATOM 258 CB ASP A 21 18.525 3.149 0.530 1.00 0.00 C ATOM 259 CG ASP A 21 19.117 3.021 1.920 1.00 0.00 C ATOM 260 OD1 ASP A 21 18.877 3.921 2.751 1.00 0.00 O ATOM 261 OD2 ASP A 21 19.822 2.022 2.176 1.00 0.00 O ATOM 0 H ASP A 21 16.761 4.643 1.468 1.00 0.00 H new ATOM 0 HA ASP A 21 16.681 2.858 -0.533 1.00 0.00 H new ATOM 0 HB2 ASP A 21 19.063 2.491 -0.153 1.00 0.00 H new ATOM 0 HB3 ASP A 21 18.667 4.168 0.170 1.00 0.00 H new ATOM 266 N THR A 22 16.524 1.262 2.298 1.00 0.00 N ATOM 267 CA THR A 22 16.295 -0.040 2.910 1.00 0.00 C ATOM 268 C THR A 22 14.832 -0.453 2.793 1.00 0.00 C ATOM 269 O THR A 22 14.516 -1.507 2.241 1.00 0.00 O ATOM 270 CB THR A 22 16.699 -0.041 4.397 1.00 0.00 C ATOM 271 OG1 THR A 22 16.417 1.236 4.982 1.00 0.00 O ATOM 272 CG2 THR A 22 18.178 -0.361 4.555 1.00 0.00 C ATOM 0 H THR A 22 16.440 2.050 2.940 1.00 0.00 H new ATOM 0 HA THR A 22 16.916 -0.756 2.372 1.00 0.00 H new ATOM 0 HB THR A 22 16.120 -0.810 4.908 1.00 0.00 H new ATOM 0 HG1 THR A 22 16.675 1.227 5.927 1.00 0.00 H new ATOM 0 HG21 THR A 22 18.440 -0.356 5.613 1.00 0.00 H new ATOM 0 HG22 THR A 22 18.384 -1.345 4.135 1.00 0.00 H new ATOM 0 HG23 THR A 22 18.771 0.389 4.031 1.00 0.00 H new ATOM 280 N THR A 23 13.942 0.384 3.316 1.00 0.00 N ATOM 281 CA THR A 23 12.512 0.106 3.270 1.00 0.00 C ATOM 282 C THR A 23 11.727 1.333 2.820 1.00 0.00 C ATOM 283 O THR A 23 12.204 2.462 2.931 1.00 0.00 O ATOM 284 CB THR A 23 11.985 -0.352 4.642 1.00 0.00 C ATOM 285 OG1 THR A 23 11.941 0.758 5.546 1.00 0.00 O ATOM 286 CG2 THR A 23 12.864 -1.450 5.221 1.00 0.00 C ATOM 0 H THR A 23 14.186 1.261 3.777 1.00 0.00 H new ATOM 0 HA THR A 23 12.369 -0.698 2.547 1.00 0.00 H new ATOM 0 HB THR A 23 10.979 -0.749 4.506 1.00 0.00 H new ATOM 0 HG1 THR A 23 11.603 0.458 6.416 1.00 0.00 H new ATOM 0 HG21 THR A 23 12.472 -1.757 6.190 1.00 0.00 H new ATOM 0 HG22 THR A 23 12.871 -2.305 4.545 1.00 0.00 H new ATOM 0 HG23 THR A 23 13.880 -1.076 5.343 1.00 0.00 H new ATOM 294 N VAL A 24 10.520 1.104 2.312 1.00 0.00 N ATOM 295 CA VAL A 24 9.668 2.192 1.847 1.00 0.00 C ATOM 296 C VAL A 24 8.449 2.359 2.748 1.00 0.00 C ATOM 297 O VAL A 24 7.942 1.389 3.312 1.00 0.00 O ATOM 298 CB VAL A 24 9.194 1.955 0.400 1.00 0.00 C ATOM 299 CG1 VAL A 24 10.385 1.840 -0.539 1.00 0.00 C ATOM 300 CG2 VAL A 24 8.322 0.711 0.323 1.00 0.00 C ATOM 0 H VAL A 24 10.110 0.175 2.212 1.00 0.00 H new ATOM 0 HA VAL A 24 10.269 3.101 1.881 1.00 0.00 H new ATOM 0 HB VAL A 24 8.596 2.810 0.087 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.031 1.673 -1.556 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.966 2.761 -0.504 1.00 0.00 H new ATOM 0 HG13 VAL A 24 11.012 1.003 -0.231 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.996 0.558 -0.706 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.894 -0.155 0.655 1.00 0.00 H new ATOM 0 HG23 VAL A 24 7.450 0.837 0.965 1.00 0.00 H new ATOM 310 N THR A 25 7.982 3.596 2.879 1.00 0.00 N ATOM 311 CA THR A 25 6.823 3.892 3.712 1.00 0.00 C ATOM 312 C THR A 25 5.647 4.369 2.868 1.00 0.00 C ATOM 313 O THR A 25 5.826 5.097 1.892 1.00 0.00 O ATOM 314 CB THR A 25 7.150 4.963 4.770 1.00 0.00 C ATOM 315 OG1 THR A 25 8.376 4.638 5.434 1.00 0.00 O ATOM 316 CG2 THR A 25 6.028 5.075 5.791 1.00 0.00 C ATOM 0 H THR A 25 8.389 4.410 2.418 1.00 0.00 H new ATOM 0 HA THR A 25 6.552 2.965 4.217 1.00 0.00 H new ATOM 0 HB THR A 25 7.256 5.922 4.263 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.577 5.325 6.104 1.00 0.00 H new ATOM 0 HG21 THR A 25 6.281 5.837 6.528 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.103 5.352 5.286 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.895 4.116 6.292 1.00 0.00 H new ATOM 324 N MET A 26 4.444 3.954 3.251 1.00 0.00 N ATOM 325 CA MET A 26 3.237 4.342 2.530 1.00 0.00 C ATOM 326 C MET A 26 2.147 4.795 3.496 1.00 0.00 C ATOM 327 O MET A 26 2.038 4.279 4.608 1.00 0.00 O ATOM 328 CB MET A 26 2.728 3.176 1.680 1.00 0.00 C ATOM 329 CG MET A 26 3.711 2.730 0.610 1.00 0.00 C ATOM 330 SD MET A 26 3.959 3.976 -0.669 1.00 0.00 S ATOM 331 CE MET A 26 2.345 3.988 -1.447 1.00 0.00 C ATOM 0 H MET A 26 4.279 3.350 4.056 1.00 0.00 H new ATOM 0 HA MET A 26 3.488 5.177 1.876 1.00 0.00 H new ATOM 0 HB2 MET A 26 2.506 2.331 2.332 1.00 0.00 H new ATOM 0 HB3 MET A 26 1.792 3.466 1.203 1.00 0.00 H new ATOM 0 HG2 MET A 26 4.669 2.498 1.076 1.00 0.00 H new ATOM 0 HG3 MET A 26 3.349 1.810 0.150 1.00 0.00 H new ATOM 0 HE1 MET A 26 2.453 3.788 -2.513 1.00 0.00 H new ATOM 0 HE2 MET A 26 1.718 3.219 -0.995 1.00 0.00 H new ATOM 0 HE3 MET A 26 1.881 4.964 -1.307 1.00 0.00 H new ATOM 341 N ARG A 27 1.345 5.763 3.064 1.00 0.00 N ATOM 342 CA ARG A 27 0.265 6.286 3.893 1.00 0.00 C ATOM 343 C ARG A 27 -1.052 6.301 3.123 1.00 0.00 C ATOM 344 O ARG A 27 -1.064 6.401 1.896 1.00 0.00 O ATOM 345 CB ARG A 27 0.602 7.698 4.375 1.00 0.00 C ATOM 346 CG ARG A 27 0.624 8.733 3.262 1.00 0.00 C ATOM 347 CD ARG A 27 0.251 10.114 3.777 1.00 0.00 C ATOM 348 NE ARG A 27 0.738 11.175 2.901 1.00 0.00 N ATOM 349 CZ ARG A 27 0.887 12.437 3.289 1.00 0.00 C ATOM 350 NH1 ARG A 27 0.588 12.793 4.530 1.00 0.00 N ATOM 351 NH2 ARG A 27 1.337 13.347 2.433 1.00 0.00 N ATOM 0 H ARG A 27 1.422 6.201 2.146 1.00 0.00 H new ATOM 0 HA ARG A 27 0.154 5.631 4.757 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.128 8.000 5.126 1.00 0.00 H new ATOM 0 HB3 ARG A 27 1.576 7.683 4.865 1.00 0.00 H new ATOM 0 HG2 ARG A 27 1.617 8.767 2.815 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -0.070 8.437 2.475 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -0.833 10.187 3.866 1.00 0.00 H new ATOM 0 HD3 ARG A 27 0.663 10.252 4.777 1.00 0.00 H new ATOM 0 HE ARG A 27 0.977 10.935 1.939 1.00 0.00 H new ATOM 0 HH11 ARG A 27 0.242 12.097 5.191 1.00 0.00 H new ATOM 0 HH12 ARG A 27 0.704 13.763 4.824 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.569 13.077 1.477 1.00 0.00 H new ATOM 0 HH22 ARG A 27 1.451 14.316 2.732 1.00 0.00 H new ATOM 365 N TRP A 28 -2.158 6.200 3.851 1.00 0.00 N ATOM 366 CA TRP A 28 -3.481 6.202 3.237 1.00 0.00 C ATOM 367 C TRP A 28 -4.554 6.566 4.256 1.00 0.00 C ATOM 368 O TRP A 28 -4.283 6.650 5.454 1.00 0.00 O ATOM 369 CB TRP A 28 -3.783 4.832 2.626 1.00 0.00 C ATOM 370 CG TRP A 28 -4.015 3.763 3.650 1.00 0.00 C ATOM 371 CD1 TRP A 28 -5.169 3.529 4.343 1.00 0.00 C ATOM 372 CD2 TRP A 28 -3.070 2.785 4.098 1.00 0.00 C ATOM 373 NE1 TRP A 28 -4.997 2.464 5.195 1.00 0.00 N ATOM 374 CE2 TRP A 28 -3.719 1.990 5.063 1.00 0.00 C ATOM 375 CE3 TRP A 28 -1.740 2.503 3.776 1.00 0.00 C ATOM 376 CZ2 TRP A 28 -3.080 0.934 5.707 1.00 0.00 C ATOM 377 CZ3 TRP A 28 -1.108 1.455 4.417 1.00 0.00 C ATOM 378 CH2 TRP A 28 -1.778 0.680 5.373 1.00 0.00 C ATOM 0 H TRP A 28 -2.165 6.116 4.867 1.00 0.00 H new ATOM 0 HA TRP A 28 -3.487 6.954 2.448 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -4.664 4.912 1.989 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -2.952 4.537 1.985 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -6.082 4.097 4.237 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.707 2.088 5.824 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -1.216 3.094 3.039 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -3.594 0.336 6.445 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.080 1.229 4.177 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -1.256 -0.133 5.855 1.00 0.00 H new ATOM 389 N ARG A 29 -5.774 6.779 3.774 1.00 0.00 N ATOM 390 CA ARG A 29 -6.888 7.135 4.645 1.00 0.00 C ATOM 391 C ARG A 29 -8.118 6.289 4.327 1.00 0.00 C ATOM 392 O ARG A 29 -8.293 5.799 3.211 1.00 0.00 O ATOM 393 CB ARG A 29 -7.225 8.620 4.496 1.00 0.00 C ATOM 394 CG ARG A 29 -6.258 9.539 5.224 1.00 0.00 C ATOM 395 CD ARG A 29 -6.932 10.836 5.645 1.00 0.00 C ATOM 396 NE ARG A 29 -5.992 11.953 5.687 1.00 0.00 N ATOM 397 CZ ARG A 29 -6.276 13.133 6.227 1.00 0.00 C ATOM 398 NH1 ARG A 29 -7.467 13.348 6.768 1.00 0.00 N ATOM 399 NH2 ARG A 29 -5.367 14.100 6.228 1.00 0.00 N ATOM 0 H ARG A 29 -6.016 6.711 2.785 1.00 0.00 H new ATOM 0 HA ARG A 29 -6.589 6.939 5.675 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.231 8.878 3.437 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -8.233 8.795 4.873 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.863 9.030 6.104 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.409 9.762 4.577 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.739 11.067 4.950 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.385 10.707 6.628 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.067 11.820 5.279 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -8.167 12.607 6.770 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -7.683 14.255 7.182 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.449 13.938 5.814 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.586 15.006 6.643 1.00 0.00 H new ATOM 413 N PRO A 30 -8.991 6.114 5.330 1.00 0.00 N ATOM 414 CA PRO A 30 -10.219 5.327 5.182 1.00 0.00 C ATOM 415 C PRO A 30 -11.242 6.013 4.282 1.00 0.00 C ATOM 416 O PRO A 30 -11.095 7.178 3.910 1.00 0.00 O ATOM 417 CB PRO A 30 -10.750 5.226 6.614 1.00 0.00 C ATOM 418 CG PRO A 30 -10.191 6.418 7.311 1.00 0.00 C ATOM 419 CD PRO A 30 -8.846 6.669 6.686 1.00 0.00 C ATOM 0 HA PRO A 30 -10.030 4.361 4.713 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -11.840 5.231 6.633 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -10.427 4.301 7.091 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -10.844 7.282 7.192 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -10.096 6.236 8.381 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -8.606 7.732 6.662 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -8.047 6.175 7.239 1.00 0.00 H new ATOM 427 N PRO A 31 -12.303 5.277 3.923 1.00 0.00 N ATOM 428 CA PRO A 31 -13.372 5.794 3.063 1.00 0.00 C ATOM 429 C PRO A 31 -14.219 6.851 3.763 1.00 0.00 C ATOM 430 O PRO A 31 -14.323 6.864 4.990 1.00 0.00 O ATOM 431 CB PRO A 31 -14.212 4.553 2.755 1.00 0.00 C ATOM 432 CG PRO A 31 -13.963 3.633 3.900 1.00 0.00 C ATOM 433 CD PRO A 31 -12.543 3.882 4.329 1.00 0.00 C ATOM 0 HA PRO A 31 -12.977 6.289 2.175 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -15.270 4.802 2.670 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -13.915 4.098 1.810 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -14.658 3.829 4.717 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -14.105 2.594 3.604 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -12.419 3.749 5.404 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -11.850 3.197 3.841 1.00 0.00 H new ATOM 441 N ASP A 32 -14.823 7.735 2.977 1.00 0.00 N ATOM 442 CA ASP A 32 -15.662 8.796 3.522 1.00 0.00 C ATOM 443 C ASP A 32 -16.515 8.275 4.674 1.00 0.00 C ATOM 444 O ASP A 32 -16.677 8.946 5.694 1.00 0.00 O ATOM 445 CB ASP A 32 -16.560 9.377 2.429 1.00 0.00 C ATOM 446 CG ASP A 32 -17.031 10.782 2.753 1.00 0.00 C ATOM 447 OD1 ASP A 32 -16.310 11.496 3.481 1.00 0.00 O ATOM 448 OD2 ASP A 32 -18.119 11.166 2.277 1.00 0.00 O ATOM 0 H ASP A 32 -14.747 7.738 1.960 1.00 0.00 H new ATOM 0 HA ASP A 32 -15.010 9.583 3.902 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -16.017 9.388 1.484 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -17.426 8.729 2.292 1.00 0.00 H new ATOM 453 N HIS A 33 -17.060 7.074 4.505 1.00 0.00 N ATOM 454 CA HIS A 33 -17.898 6.463 5.531 1.00 0.00 C ATOM 455 C HIS A 33 -18.118 4.981 5.242 1.00 0.00 C ATOM 456 O HIS A 33 -17.751 4.487 4.175 1.00 0.00 O ATOM 457 CB HIS A 33 -19.243 7.183 5.617 1.00 0.00 C ATOM 458 CG HIS A 33 -19.189 8.466 6.389 1.00 0.00 C ATOM 459 ND1 HIS A 33 -18.833 8.528 7.719 1.00 0.00 N ATOM 460 CD2 HIS A 33 -19.446 9.739 6.009 1.00 0.00 C ATOM 461 CE1 HIS A 33 -18.875 9.785 8.126 1.00 0.00 C ATOM 462 NE2 HIS A 33 -19.244 10.540 7.107 1.00 0.00 N ATOM 0 H HIS A 33 -16.936 6.505 3.668 1.00 0.00 H new ATOM 0 HA HIS A 33 -17.383 6.556 6.487 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -19.599 7.391 4.608 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -19.972 6.519 6.082 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -19.753 10.065 5.026 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -18.647 10.135 9.122 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -19.360 11.553 7.131 1.00 0.00 H new ATOM 471 N ILE A 34 -18.718 4.279 6.197 1.00 0.00 N ATOM 472 CA ILE A 34 -18.986 2.855 6.044 1.00 0.00 C ATOM 473 C ILE A 34 -20.472 2.597 5.819 1.00 0.00 C ATOM 474 O ILE A 34 -21.323 3.192 6.479 1.00 0.00 O ATOM 475 CB ILE A 34 -18.519 2.058 7.276 1.00 0.00 C ATOM 476 CG1 ILE A 34 -17.254 2.685 7.866 1.00 0.00 C ATOM 477 CG2 ILE A 34 -18.271 0.604 6.903 1.00 0.00 C ATOM 478 CD1 ILE A 34 -16.164 2.923 6.844 1.00 0.00 C ATOM 0 H ILE A 34 -19.028 4.674 7.085 1.00 0.00 H new ATOM 0 HA ILE A 34 -18.425 2.520 5.172 1.00 0.00 H new ATOM 0 HB ILE A 34 -19.305 2.090 8.031 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -17.514 3.634 8.336 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -16.869 2.035 8.652 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -17.941 0.053 7.784 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -19.193 0.163 6.524 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -17.501 0.552 6.134 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -15.298 3.369 7.333 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -15.876 1.974 6.391 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -16.531 3.597 6.071 1.00 0.00 H new ATOM 517 N GLY A 38 -19.229 -2.480 8.052 1.00 0.00 N ATOM 518 CA GLY A 38 -18.080 -2.709 8.909 1.00 0.00 C ATOM 519 C GLY A 38 -16.800 -2.904 8.122 1.00 0.00 C ATOM 520 O GLY A 38 -16.620 -3.926 7.458 1.00 0.00 O ATOM 0 HA2 GLY A 38 -17.961 -1.863 9.586 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -18.261 -3.589 9.527 1.00 0.00 H new ATOM 524 N LEU A 39 -15.908 -1.922 8.193 1.00 0.00 N ATOM 525 CA LEU A 39 -14.637 -1.989 7.479 1.00 0.00 C ATOM 526 C LEU A 39 -13.615 -2.807 8.263 1.00 0.00 C ATOM 527 O LEU A 39 -13.382 -2.558 9.446 1.00 0.00 O ATOM 528 CB LEU A 39 -14.096 -0.581 7.227 1.00 0.00 C ATOM 529 CG LEU A 39 -12.612 -0.486 6.871 1.00 0.00 C ATOM 530 CD1 LEU A 39 -12.401 -0.755 5.389 1.00 0.00 C ATOM 531 CD2 LEU A 39 -12.058 0.879 7.252 1.00 0.00 C ATOM 0 H LEU A 39 -16.041 -1.070 8.738 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.811 -2.481 6.522 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -14.673 -0.131 6.419 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -14.274 0.020 8.119 1.00 0.00 H new ATOM 0 HG LEU A 39 -12.073 -1.245 7.438 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.339 -0.683 5.154 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.760 -1.755 5.146 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -12.953 -0.020 4.804 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.001 0.928 6.991 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -12.601 1.655 6.713 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -12.175 1.032 8.325 1.00 0.00 H new ATOM 543 N ASP A 40 -13.007 -3.781 7.596 1.00 0.00 N ATOM 544 CA ASP A 40 -12.007 -4.633 8.229 1.00 0.00 C ATOM 545 C ASP A 40 -10.602 -4.256 7.769 1.00 0.00 C ATOM 546 O ASP A 40 -10.137 -4.711 6.725 1.00 0.00 O ATOM 547 CB ASP A 40 -12.283 -6.103 7.911 1.00 0.00 C ATOM 548 CG ASP A 40 -13.736 -6.479 8.131 1.00 0.00 C ATOM 549 OD1 ASP A 40 -14.204 -6.389 9.285 1.00 0.00 O ATOM 550 OD2 ASP A 40 -14.403 -6.863 7.148 1.00 0.00 O ATOM 0 H ASP A 40 -13.189 -4.001 6.617 1.00 0.00 H new ATOM 0 HA ASP A 40 -12.069 -4.484 9.307 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -12.011 -6.305 6.875 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -11.649 -6.732 8.536 1.00 0.00 H new ATOM 555 N GLY A 41 -9.931 -3.420 8.556 1.00 0.00 N ATOM 556 CA GLY A 41 -8.587 -2.995 8.212 1.00 0.00 C ATOM 557 C GLY A 41 -8.395 -2.832 6.717 1.00 0.00 C ATOM 558 O GLY A 41 -9.286 -2.347 6.019 1.00 0.00 O ATOM 0 H GLY A 41 -10.294 -3.030 9.425 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.370 -2.049 8.708 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.871 -3.725 8.590 1.00 0.00 H new ATOM 562 N TYR A 42 -7.229 -3.236 6.224 1.00 0.00 N ATOM 563 CA TYR A 42 -6.921 -3.129 4.803 1.00 0.00 C ATOM 564 C TYR A 42 -5.835 -4.123 4.404 1.00 0.00 C ATOM 565 O TYR A 42 -5.188 -4.730 5.259 1.00 0.00 O ATOM 566 CB TYR A 42 -6.476 -1.706 4.462 1.00 0.00 C ATOM 567 CG TYR A 42 -7.212 -0.639 5.241 1.00 0.00 C ATOM 568 CD1 TYR A 42 -6.844 -0.323 6.543 1.00 0.00 C ATOM 569 CD2 TYR A 42 -8.275 0.054 4.675 1.00 0.00 C ATOM 570 CE1 TYR A 42 -7.513 0.650 7.259 1.00 0.00 C ATOM 571 CE2 TYR A 42 -8.949 1.030 5.382 1.00 0.00 C ATOM 572 CZ TYR A 42 -8.565 1.325 6.674 1.00 0.00 C ATOM 573 OH TYR A 42 -9.235 2.296 7.382 1.00 0.00 O ATOM 0 H TYR A 42 -6.482 -3.641 6.788 1.00 0.00 H new ATOM 0 HA TYR A 42 -7.826 -3.364 4.243 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -5.407 -1.612 4.654 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -6.624 -1.533 3.396 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -6.020 -0.848 7.003 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -8.579 -0.175 3.664 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -7.215 0.881 8.271 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -9.772 1.560 4.926 1.00 0.00 H new ATOM 0 HH TYR A 42 -8.653 3.076 7.499 1.00 0.00 H new ATOM 583 N VAL A 43 -5.639 -4.284 3.100 1.00 0.00 N ATOM 584 CA VAL A 43 -4.631 -5.203 2.585 1.00 0.00 C ATOM 585 C VAL A 43 -3.707 -4.505 1.593 1.00 0.00 C ATOM 586 O VAL A 43 -4.165 -3.837 0.665 1.00 0.00 O ATOM 587 CB VAL A 43 -5.278 -6.420 1.899 1.00 0.00 C ATOM 588 CG1 VAL A 43 -4.210 -7.340 1.325 1.00 0.00 C ATOM 589 CG2 VAL A 43 -6.170 -7.170 2.876 1.00 0.00 C ATOM 0 H VAL A 43 -6.165 -3.789 2.380 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.049 -5.546 3.440 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.898 -6.064 1.076 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.686 -8.195 0.844 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.616 -6.795 0.591 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.562 -7.690 2.128 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -6.619 -8.027 2.374 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.574 -7.515 3.721 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.957 -6.506 3.234 1.00 0.00 H new ATOM 599 N LEU A 44 -2.404 -4.664 1.795 1.00 0.00 N ATOM 600 CA LEU A 44 -1.413 -4.049 0.917 1.00 0.00 C ATOM 601 C LEU A 44 -0.468 -5.100 0.344 1.00 0.00 C ATOM 602 O LEU A 44 -0.080 -6.042 1.034 1.00 0.00 O ATOM 603 CB LEU A 44 -0.615 -2.990 1.679 1.00 0.00 C ATOM 604 CG LEU A 44 0.117 -1.956 0.822 1.00 0.00 C ATOM 605 CD1 LEU A 44 0.248 -0.639 1.571 1.00 0.00 C ATOM 606 CD2 LEU A 44 1.487 -2.478 0.412 1.00 0.00 C ATOM 0 H LEU A 44 -2.008 -5.213 2.558 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.941 -3.572 0.091 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.295 -2.462 2.348 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.118 -3.498 2.306 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.468 -1.780 -0.081 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.771 0.085 0.946 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.744 -0.258 1.814 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.811 -0.798 2.491 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.994 -1.730 -0.197 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.080 -2.683 1.303 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.369 -3.396 -0.164 1.00 0.00 H new ATOM 618 N GLU A 45 -0.099 -4.929 -0.922 1.00 0.00 N ATOM 619 CA GLU A 45 0.802 -5.862 -1.587 1.00 0.00 C ATOM 620 C GLU A 45 1.704 -5.134 -2.580 1.00 0.00 C ATOM 621 O GLU A 45 1.358 -4.063 -3.080 1.00 0.00 O ATOM 622 CB GLU A 45 0.005 -6.950 -2.310 1.00 0.00 C ATOM 623 CG GLU A 45 -0.885 -7.766 -1.387 1.00 0.00 C ATOM 624 CD GLU A 45 -1.500 -8.966 -2.081 1.00 0.00 C ATOM 625 OE1 GLU A 45 -1.699 -8.902 -3.312 1.00 0.00 O ATOM 626 OE2 GLU A 45 -1.782 -9.969 -1.392 1.00 0.00 O ATOM 0 H GLU A 45 -0.410 -4.153 -1.507 1.00 0.00 H new ATOM 0 HA GLU A 45 1.428 -6.326 -0.825 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.612 -6.486 -3.080 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.699 -7.620 -2.818 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.301 -8.105 -0.532 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.680 -7.129 -0.998 1.00 0.00 H new ATOM 633 N TYR A 46 2.862 -5.722 -2.859 1.00 0.00 N ATOM 634 CA TYR A 46 3.816 -5.128 -3.789 1.00 0.00 C ATOM 635 C TYR A 46 4.280 -6.152 -4.821 1.00 0.00 C ATOM 636 O TYR A 46 4.698 -7.256 -4.471 1.00 0.00 O ATOM 637 CB TYR A 46 5.021 -4.571 -3.030 1.00 0.00 C ATOM 638 CG TYR A 46 5.984 -5.636 -2.557 1.00 0.00 C ATOM 639 CD1 TYR A 46 5.666 -6.464 -1.488 1.00 0.00 C ATOM 640 CD2 TYR A 46 7.213 -5.814 -3.181 1.00 0.00 C ATOM 641 CE1 TYR A 46 6.543 -7.437 -1.052 1.00 0.00 C ATOM 642 CE2 TYR A 46 8.096 -6.787 -2.753 1.00 0.00 C ATOM 643 CZ TYR A 46 7.757 -7.595 -1.688 1.00 0.00 C ATOM 644 OH TYR A 46 8.634 -8.565 -1.258 1.00 0.00 O ATOM 0 H TYR A 46 3.163 -6.609 -2.455 1.00 0.00 H new ATOM 0 HA TYR A 46 3.316 -4.313 -4.312 1.00 0.00 H new ATOM 0 HB2 TYR A 46 5.554 -3.872 -3.674 1.00 0.00 H new ATOM 0 HB3 TYR A 46 4.667 -4.005 -2.169 1.00 0.00 H new ATOM 0 HD1 TYR A 46 4.716 -6.344 -0.989 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.482 -5.182 -4.014 1.00 0.00 H new ATOM 0 HE1 TYR A 46 6.280 -8.071 -0.218 1.00 0.00 H new ATOM 0 HE2 TYR A 46 9.046 -6.914 -3.250 1.00 0.00 H new ATOM 0 HH TYR A 46 9.442 -8.545 -1.813 1.00 0.00 H new ATOM 654 N CYS A 47 4.203 -5.776 -6.093 1.00 0.00 N ATOM 655 CA CYS A 47 4.615 -6.660 -7.177 1.00 0.00 C ATOM 656 C CYS A 47 5.992 -6.269 -7.705 1.00 0.00 C ATOM 657 O CYS A 47 6.124 -5.325 -8.484 1.00 0.00 O ATOM 658 CB CYS A 47 3.590 -6.621 -8.312 1.00 0.00 C ATOM 659 SG CYS A 47 4.031 -7.638 -9.740 1.00 0.00 S ATOM 0 H CYS A 47 3.859 -4.866 -6.398 1.00 0.00 H new ATOM 0 HA CYS A 47 4.672 -7.675 -6.783 1.00 0.00 H new ATOM 0 HB2 CYS A 47 2.625 -6.952 -7.928 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.465 -5.589 -8.639 1.00 0.00 H new ATOM 0 HG CYS A 47 5.311 -7.554 -9.954 1.00 0.00 H new ATOM 665 N PHE A 48 7.014 -7.000 -7.274 1.00 0.00 N ATOM 666 CA PHE A 48 8.382 -6.728 -7.701 1.00 0.00 C ATOM 667 C PHE A 48 8.491 -6.749 -9.222 1.00 0.00 C ATOM 668 O PHE A 48 7.598 -7.240 -9.912 1.00 0.00 O ATOM 669 CB PHE A 48 9.341 -7.754 -7.095 1.00 0.00 C ATOM 670 CG PHE A 48 10.744 -7.242 -6.936 1.00 0.00 C ATOM 671 CD1 PHE A 48 11.011 -6.155 -6.119 1.00 0.00 C ATOM 672 CD2 PHE A 48 11.797 -7.848 -7.603 1.00 0.00 C ATOM 673 CE1 PHE A 48 12.301 -5.682 -5.971 1.00 0.00 C ATOM 674 CE2 PHE A 48 13.089 -7.380 -7.458 1.00 0.00 C ATOM 675 CZ PHE A 48 13.341 -6.294 -6.642 1.00 0.00 C ATOM 0 H PHE A 48 6.921 -7.785 -6.630 1.00 0.00 H new ATOM 0 HA PHE A 48 8.655 -5.733 -7.349 1.00 0.00 H new ATOM 0 HB2 PHE A 48 8.962 -8.062 -6.120 1.00 0.00 H new ATOM 0 HB3 PHE A 48 9.356 -8.642 -7.726 1.00 0.00 H new ATOM 0 HD1 PHE A 48 10.202 -5.672 -5.592 1.00 0.00 H new ATOM 0 HD2 PHE A 48 11.605 -8.696 -8.244 1.00 0.00 H new ATOM 0 HE1 PHE A 48 12.496 -4.834 -5.331 1.00 0.00 H new ATOM 0 HE2 PHE A 48 13.901 -7.863 -7.982 1.00 0.00 H new ATOM 0 HZ PHE A 48 14.350 -5.924 -6.529 1.00 0.00 H new ATOM 685 N GLU A 49 9.593 -6.213 -9.738 1.00 0.00 N ATOM 686 CA GLU A 49 9.818 -6.170 -11.178 1.00 0.00 C ATOM 687 C GLU A 49 10.219 -7.543 -11.708 1.00 0.00 C ATOM 688 O GLU A 49 9.909 -7.897 -12.845 1.00 0.00 O ATOM 689 CB GLU A 49 10.903 -5.144 -11.516 1.00 0.00 C ATOM 690 CG GLU A 49 12.271 -5.498 -10.957 1.00 0.00 C ATOM 691 CD GLU A 49 13.024 -6.479 -11.834 1.00 0.00 C ATOM 692 OE1 GLU A 49 12.876 -6.401 -13.072 1.00 0.00 O ATOM 693 OE2 GLU A 49 13.761 -7.323 -11.284 1.00 0.00 O ATOM 0 H GLU A 49 10.343 -5.803 -9.181 1.00 0.00 H new ATOM 0 HA GLU A 49 8.885 -5.874 -11.657 1.00 0.00 H new ATOM 0 HB2 GLU A 49 10.976 -5.049 -12.599 1.00 0.00 H new ATOM 0 HB3 GLU A 49 10.603 -4.170 -11.130 1.00 0.00 H new ATOM 0 HG2 GLU A 49 12.861 -4.588 -10.847 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.153 -5.924 -9.961 1.00 0.00 H new ATOM 700 N GLY A 50 10.910 -8.315 -10.874 1.00 0.00 N ATOM 701 CA GLY A 50 11.343 -9.640 -11.276 1.00 0.00 C ATOM 702 C GLY A 50 10.434 -10.732 -10.747 1.00 0.00 C ATOM 703 O GLY A 50 10.904 -11.771 -10.281 1.00 0.00 O ATOM 0 H GLY A 50 11.177 -8.046 -9.927 1.00 0.00 H new ATOM 0 HA2 GLY A 50 11.375 -9.694 -12.364 1.00 0.00 H new ATOM 0 HA3 GLY A 50 12.358 -9.811 -10.918 1.00 0.00 H new ATOM 707 N THR A 51 9.127 -10.497 -10.816 1.00 0.00 N ATOM 708 CA THR A 51 8.150 -11.467 -10.337 1.00 0.00 C ATOM 709 C THR A 51 6.922 -11.501 -11.239 1.00 0.00 C ATOM 710 O THR A 51 6.722 -10.610 -12.063 1.00 0.00 O ATOM 711 CB THR A 51 7.707 -11.153 -8.896 1.00 0.00 C ATOM 712 OG1 THR A 51 7.587 -9.737 -8.718 1.00 0.00 O ATOM 713 CG2 THR A 51 8.700 -11.714 -7.889 1.00 0.00 C ATOM 0 H THR A 51 8.721 -9.643 -11.199 1.00 0.00 H new ATOM 0 HA THR A 51 8.637 -12.442 -10.355 1.00 0.00 H new ATOM 0 HB THR A 51 6.738 -11.623 -8.727 1.00 0.00 H new ATOM 0 HG1 THR A 51 7.429 -9.539 -7.771 1.00 0.00 H new ATOM 0 HG21 THR A 51 8.365 -11.479 -6.879 1.00 0.00 H new ATOM 0 HG22 THR A 51 8.766 -12.796 -8.007 1.00 0.00 H new ATOM 0 HG23 THR A 51 9.681 -11.270 -8.059 1.00 0.00 H new ATOM 721 N GLU A 52 6.102 -12.535 -11.076 1.00 0.00 N ATOM 722 CA GLU A 52 4.893 -12.683 -11.877 1.00 0.00 C ATOM 723 C GLU A 52 3.648 -12.414 -11.038 1.00 0.00 C ATOM 724 O GLU A 52 2.685 -11.811 -11.512 1.00 0.00 O ATOM 725 CB GLU A 52 4.822 -14.089 -12.478 1.00 0.00 C ATOM 726 CG GLU A 52 3.511 -14.381 -13.189 1.00 0.00 C ATOM 727 CD GLU A 52 3.617 -15.548 -14.152 1.00 0.00 C ATOM 728 OE1 GLU A 52 4.541 -15.539 -14.993 1.00 0.00 O ATOM 729 OE2 GLU A 52 2.778 -16.468 -14.065 1.00 0.00 O ATOM 0 H GLU A 52 6.253 -13.281 -10.397 1.00 0.00 H new ATOM 0 HA GLU A 52 4.931 -11.951 -12.684 1.00 0.00 H new ATOM 0 HB2 GLU A 52 5.644 -14.216 -13.183 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.966 -14.822 -11.684 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.740 -14.595 -12.449 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.192 -13.493 -13.734 1.00 0.00 H new ATOM 736 N ASP A 53 3.675 -12.865 -9.789 1.00 0.00 N ATOM 737 CA ASP A 53 2.549 -12.672 -8.881 1.00 0.00 C ATOM 738 C ASP A 53 2.919 -11.717 -7.751 1.00 0.00 C ATOM 739 O ASP A 53 4.082 -11.625 -7.359 1.00 0.00 O ATOM 740 CB ASP A 53 2.096 -14.014 -8.304 1.00 0.00 C ATOM 741 CG ASP A 53 1.119 -14.734 -9.212 1.00 0.00 C ATOM 742 OD1 ASP A 53 1.531 -15.152 -10.314 1.00 0.00 O ATOM 743 OD2 ASP A 53 -0.058 -14.880 -8.820 1.00 0.00 O ATOM 0 H ASP A 53 4.464 -13.367 -9.381 1.00 0.00 H new ATOM 0 HA ASP A 53 1.728 -12.233 -9.448 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.967 -14.647 -8.138 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.631 -13.850 -7.332 1.00 0.00 H new ATOM 748 N TRP A 54 1.923 -11.007 -7.234 1.00 0.00 N ATOM 749 CA TRP A 54 2.145 -10.057 -6.149 1.00 0.00 C ATOM 750 C TRP A 54 2.721 -10.757 -4.923 1.00 0.00 C ATOM 751 O TRP A 54 2.474 -11.942 -4.700 1.00 0.00 O ATOM 752 CB TRP A 54 0.836 -9.355 -5.783 1.00 0.00 C ATOM 753 CG TRP A 54 0.306 -8.479 -6.877 1.00 0.00 C ATOM 754 CD1 TRP A 54 -0.368 -8.880 -7.995 1.00 0.00 C ATOM 755 CD2 TRP A 54 0.409 -7.053 -6.958 1.00 0.00 C ATOM 756 NE1 TRP A 54 -0.691 -7.790 -8.766 1.00 0.00 N ATOM 757 CE2 TRP A 54 -0.226 -6.657 -8.152 1.00 0.00 C ATOM 758 CE3 TRP A 54 0.973 -6.072 -6.138 1.00 0.00 C ATOM 759 CZ2 TRP A 54 -0.310 -5.323 -8.543 1.00 0.00 C ATOM 760 CZ3 TRP A 54 0.890 -4.749 -6.528 1.00 0.00 C ATOM 761 CH2 TRP A 54 0.251 -4.384 -7.721 1.00 0.00 C ATOM 0 H TRP A 54 0.955 -11.071 -7.548 1.00 0.00 H new ATOM 0 HA TRP A 54 2.865 -9.313 -6.491 1.00 0.00 H new ATOM 0 HB2 TRP A 54 0.087 -10.106 -5.534 1.00 0.00 H new ATOM 0 HB3 TRP A 54 0.993 -8.752 -4.889 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -0.611 -9.904 -8.237 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -1.195 -7.819 -9.652 1.00 0.00 H new ATOM 0 HE3 TRP A 54 1.465 -6.343 -5.216 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.801 -5.040 -9.462 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.325 -3.983 -5.903 1.00 0.00 H new ATOM 0 HH2 TRP A 54 0.200 -3.341 -7.997 1.00 0.00 H new ATOM 772 N ILE A 55 3.490 -10.016 -4.131 1.00 0.00 N ATOM 773 CA ILE A 55 4.099 -10.566 -2.927 1.00 0.00 C ATOM 774 C ILE A 55 3.400 -10.052 -1.673 1.00 0.00 C ATOM 775 O ILE A 55 3.677 -8.949 -1.202 1.00 0.00 O ATOM 776 CB ILE A 55 5.597 -10.218 -2.845 1.00 0.00 C ATOM 777 CG1 ILE A 55 6.334 -10.743 -4.079 1.00 0.00 C ATOM 778 CG2 ILE A 55 6.206 -10.791 -1.574 1.00 0.00 C ATOM 779 CD1 ILE A 55 7.599 -9.979 -4.398 1.00 0.00 C ATOM 0 H ILE A 55 3.705 -9.034 -4.302 1.00 0.00 H new ATOM 0 HA ILE A 55 3.988 -11.649 -2.984 1.00 0.00 H new ATOM 0 HB ILE A 55 5.701 -9.133 -2.817 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.583 -11.793 -3.924 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.665 -10.697 -4.938 1.00 0.00 H new ATOM 0 HG21 ILE A 55 7.265 -10.536 -1.531 1.00 0.00 H new ATOM 0 HG22 ILE A 55 5.697 -10.373 -0.706 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.093 -11.875 -1.573 1.00 0.00 H new ATOM 0 HD11 ILE A 55 8.068 -10.406 -5.284 1.00 0.00 H new ATOM 0 HD12 ILE A 55 7.355 -8.933 -4.585 1.00 0.00 H new ATOM 0 HD13 ILE A 55 8.287 -10.046 -3.555 1.00 0.00 H new ATOM 791 N VAL A 56 2.492 -10.861 -1.135 1.00 0.00 N ATOM 792 CA VAL A 56 1.754 -10.490 0.067 1.00 0.00 C ATOM 793 C VAL A 56 2.661 -9.795 1.076 1.00 0.00 C ATOM 794 O VAL A 56 3.672 -10.351 1.504 1.00 0.00 O ATOM 795 CB VAL A 56 1.112 -11.721 0.733 1.00 0.00 C ATOM 796 CG1 VAL A 56 0.469 -11.337 2.057 1.00 0.00 C ATOM 797 CG2 VAL A 56 0.094 -12.361 -0.198 1.00 0.00 C ATOM 0 H VAL A 56 2.250 -11.777 -1.513 1.00 0.00 H new ATOM 0 HA VAL A 56 0.967 -9.802 -0.244 1.00 0.00 H new ATOM 0 HB VAL A 56 1.895 -12.452 0.935 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.020 -12.220 2.513 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.228 -10.929 2.725 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.302 -10.587 1.883 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.349 -13.229 0.289 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.688 -11.639 -0.434 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.588 -12.674 -1.118 1.00 0.00 H new ATOM 807 N ALA A 57 2.293 -8.575 1.452 1.00 0.00 N ATOM 808 CA ALA A 57 3.071 -7.804 2.413 1.00 0.00 C ATOM 809 C ALA A 57 2.569 -8.030 3.835 1.00 0.00 C ATOM 810 O ALA A 57 3.350 -8.321 4.740 1.00 0.00 O ATOM 811 CB ALA A 57 3.024 -6.323 2.064 1.00 0.00 C ATOM 0 H ALA A 57 1.460 -8.099 1.105 1.00 0.00 H new ATOM 0 HA ALA A 57 4.105 -8.146 2.362 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.609 -5.759 2.790 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.438 -6.171 1.067 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.991 -5.977 2.084 1.00 0.00 H new ATOM 817 N ASN A 58 1.261 -7.893 4.024 1.00 0.00 N ATOM 818 CA ASN A 58 0.654 -8.082 5.337 1.00 0.00 C ATOM 819 C ASN A 58 0.292 -9.547 5.563 1.00 0.00 C ATOM 820 O ASN A 58 0.213 -10.332 4.618 1.00 0.00 O ATOM 821 CB ASN A 58 -0.594 -7.209 5.475 1.00 0.00 C ATOM 822 CG ASN A 58 -1.808 -7.824 4.805 1.00 0.00 C ATOM 823 OD1 ASN A 58 -1.679 -8.645 3.897 1.00 0.00 O ATOM 824 ND2 ASN A 58 -2.994 -7.429 5.251 1.00 0.00 N ATOM 0 H ASN A 58 0.601 -7.652 3.285 1.00 0.00 H new ATOM 0 HA ASN A 58 1.382 -7.786 6.093 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -0.808 -7.050 6.532 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -0.399 -6.230 5.038 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -3.846 -7.809 4.839 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -3.053 -6.746 6.006 1.00 0.00 H new ATOM 831 N LYS A 59 0.071 -9.908 6.823 1.00 0.00 N ATOM 832 CA LYS A 59 -0.285 -11.277 7.175 1.00 0.00 C ATOM 833 C LYS A 59 -1.787 -11.503 7.031 1.00 0.00 C ATOM 834 O LYS A 59 -2.223 -12.399 6.308 1.00 0.00 O ATOM 835 CB LYS A 59 0.153 -11.587 8.608 1.00 0.00 C ATOM 836 CG LYS A 59 -0.044 -13.041 9.004 1.00 0.00 C ATOM 837 CD LYS A 59 0.911 -13.956 8.257 1.00 0.00 C ATOM 838 CE LYS A 59 0.585 -15.421 8.501 1.00 0.00 C ATOM 839 NZ LYS A 59 -0.717 -15.809 7.891 1.00 0.00 N ATOM 0 H LYS A 59 0.132 -9.271 7.617 1.00 0.00 H new ATOM 0 HA LYS A 59 0.233 -11.948 6.490 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.206 -11.328 8.721 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.407 -10.953 9.295 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.110 -13.151 10.077 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.072 -13.339 8.797 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.859 -13.744 7.189 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.934 -13.752 8.573 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.379 -16.043 8.088 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.555 -15.613 9.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.787 -16.846 7.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.496 -15.430 8.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.778 -15.423 6.927 1.00 0.00 H new ATOM 853 N ASP A 60 -2.572 -10.685 7.723 1.00 0.00 N ATOM 854 CA ASP A 60 -4.026 -10.794 7.670 1.00 0.00 C ATOM 855 C ASP A 60 -4.653 -9.477 7.224 1.00 0.00 C ATOM 856 O ASP A 60 -5.265 -9.397 6.158 1.00 0.00 O ATOM 857 CB ASP A 60 -4.578 -11.200 9.037 1.00 0.00 C ATOM 858 CG ASP A 60 -4.230 -12.630 9.400 1.00 0.00 C ATOM 859 OD1 ASP A 60 -3.333 -13.207 8.750 1.00 0.00 O ATOM 860 OD2 ASP A 60 -4.854 -13.172 10.336 1.00 0.00 O ATOM 0 H ASP A 60 -2.227 -9.939 8.327 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.283 -11.563 6.941 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.183 -10.528 9.799 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -5.662 -11.081 9.038 1.00 0.00 H new ATOM 865 N LEU A 61 -4.499 -8.445 8.047 1.00 0.00 N ATOM 866 CA LEU A 61 -5.051 -7.131 7.739 1.00 0.00 C ATOM 867 C LEU A 61 -4.244 -6.028 8.417 1.00 0.00 C ATOM 868 O LEU A 61 -3.594 -6.259 9.437 1.00 0.00 O ATOM 869 CB LEU A 61 -6.513 -7.054 8.182 1.00 0.00 C ATOM 870 CG LEU A 61 -7.500 -7.914 7.392 1.00 0.00 C ATOM 871 CD1 LEU A 61 -8.897 -7.802 7.982 1.00 0.00 C ATOM 872 CD2 LEU A 61 -7.505 -7.508 5.925 1.00 0.00 C ATOM 0 H LEU A 61 -3.996 -8.493 8.933 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.996 -6.985 6.660 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -6.569 -7.343 9.232 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.836 -6.015 8.120 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.181 -8.954 7.460 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.586 -8.421 7.407 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -8.883 -8.141 9.018 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.225 -6.763 7.945 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.213 -8.130 5.378 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.799 -6.462 5.838 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.507 -7.641 5.507 1.00 0.00 H new ATOM 884 N ILE A 62 -4.291 -4.831 7.844 1.00 0.00 N ATOM 885 CA ILE A 62 -3.566 -3.692 8.395 1.00 0.00 C ATOM 886 C ILE A 62 -4.506 -2.753 9.143 1.00 0.00 C ATOM 887 O ILE A 62 -5.499 -2.281 8.589 1.00 0.00 O ATOM 888 CB ILE A 62 -2.839 -2.901 7.292 1.00 0.00 C ATOM 889 CG1 ILE A 62 -1.972 -3.838 6.449 1.00 0.00 C ATOM 890 CG2 ILE A 62 -1.992 -1.795 7.904 1.00 0.00 C ATOM 891 CD1 ILE A 62 -1.704 -3.321 5.053 1.00 0.00 C ATOM 0 H ILE A 62 -4.823 -4.624 6.999 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.828 -4.093 9.090 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.585 -2.444 6.642 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.021 -3.996 6.958 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.462 -4.809 6.380 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.484 -1.245 7.112 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.632 -1.115 8.465 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.252 -2.232 8.574 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -1.084 -4.036 4.513 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.649 -3.190 4.526 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.186 -2.364 5.113 1.00 0.00 H new ATOM 903 N ASP A 63 -4.184 -2.484 10.404 1.00 0.00 N ATOM 904 CA ASP A 63 -4.998 -1.598 11.228 1.00 0.00 C ATOM 905 C ASP A 63 -4.575 -0.144 11.044 1.00 0.00 C ATOM 906 O ASP A 63 -5.413 0.739 10.862 1.00 0.00 O ATOM 907 CB ASP A 63 -4.886 -1.992 12.702 1.00 0.00 C ATOM 908 CG ASP A 63 -5.632 -3.274 13.017 1.00 0.00 C ATOM 909 OD1 ASP A 63 -6.871 -3.293 12.859 1.00 0.00 O ATOM 910 OD2 ASP A 63 -4.978 -4.257 13.420 1.00 0.00 O ATOM 0 H ASP A 63 -3.366 -2.867 10.877 1.00 0.00 H new ATOM 0 HA ASP A 63 -6.036 -1.699 10.911 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.835 -2.113 12.964 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -5.278 -1.185 13.321 1.00 0.00 H new ATOM 915 N LYS A 64 -3.269 0.098 11.094 1.00 0.00 N ATOM 916 CA LYS A 64 -2.734 1.444 10.933 1.00 0.00 C ATOM 917 C LYS A 64 -2.980 1.962 9.519 1.00 0.00 C ATOM 918 O LYS A 64 -3.226 1.186 8.596 1.00 0.00 O ATOM 919 CB LYS A 64 -1.234 1.459 11.239 1.00 0.00 C ATOM 920 CG LYS A 64 -0.906 1.150 12.689 1.00 0.00 C ATOM 921 CD LYS A 64 0.515 1.559 13.039 1.00 0.00 C ATOM 922 CE LYS A 64 0.627 3.061 13.251 1.00 0.00 C ATOM 923 NZ LYS A 64 0.041 3.482 14.553 1.00 0.00 N ATOM 0 H LYS A 64 -2.562 -0.621 11.245 1.00 0.00 H new ATOM 0 HA LYS A 64 -3.249 2.099 11.636 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.734 0.732 10.599 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -0.830 2.439 10.985 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.607 1.672 13.341 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -1.034 0.083 12.873 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.832 1.038 13.943 1.00 0.00 H new ATOM 0 HD3 LYS A 64 1.190 1.252 12.240 1.00 0.00 H new ATOM 0 HE2 LYS A 64 1.676 3.356 13.212 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.119 3.581 12.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 0.285 4.476 14.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.993 3.380 14.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 0.422 2.885 15.314 1.00 0.00 H new ATOM 937 N THR A 65 -2.911 3.280 9.356 1.00 0.00 N ATOM 938 CA THR A 65 -3.126 3.901 8.056 1.00 0.00 C ATOM 939 C THR A 65 -1.829 3.968 7.257 1.00 0.00 C ATOM 940 O THR A 65 -1.798 4.497 6.146 1.00 0.00 O ATOM 941 CB THR A 65 -3.700 5.323 8.201 1.00 0.00 C ATOM 942 OG1 THR A 65 -3.172 5.948 9.376 1.00 0.00 O ATOM 943 CG2 THR A 65 -5.219 5.288 8.278 1.00 0.00 C ATOM 0 H THR A 65 -2.708 3.937 10.109 1.00 0.00 H new ATOM 0 HA THR A 65 -3.846 3.279 7.524 1.00 0.00 H new ATOM 0 HB THR A 65 -3.409 5.899 7.323 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.541 6.852 9.459 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.602 6.304 8.380 1.00 0.00 H new ATOM 0 HG22 THR A 65 -5.619 4.839 7.369 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.526 4.696 9.140 1.00 0.00 H new ATOM 951 N LYS A 66 -0.759 3.428 7.830 1.00 0.00 N ATOM 952 CA LYS A 66 0.542 3.424 7.171 1.00 0.00 C ATOM 953 C LYS A 66 1.144 2.022 7.163 1.00 0.00 C ATOM 954 O LYS A 66 0.860 1.210 8.043 1.00 0.00 O ATOM 955 CB LYS A 66 1.495 4.396 7.871 1.00 0.00 C ATOM 956 CG LYS A 66 1.416 5.816 7.337 1.00 0.00 C ATOM 957 CD LYS A 66 2.454 6.714 7.987 1.00 0.00 C ATOM 958 CE LYS A 66 3.792 6.631 7.269 1.00 0.00 C ATOM 959 NZ LYS A 66 4.932 6.916 8.184 1.00 0.00 N ATOM 0 H LYS A 66 -0.767 2.987 8.750 1.00 0.00 H new ATOM 0 HA LYS A 66 0.399 3.745 6.139 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.272 4.405 8.938 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.517 4.032 7.762 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.565 5.809 6.257 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.420 6.219 7.519 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.100 7.745 7.980 1.00 0.00 H new ATOM 0 HD3 LYS A 66 2.582 6.427 9.031 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.912 5.637 6.838 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.805 7.340 6.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.663 7.450 7.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 4.596 7.477 8.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.334 6.020 8.527 1.00 0.00 H new ATOM 973 N PHE A 67 1.977 1.746 6.166 1.00 0.00 N ATOM 974 CA PHE A 67 2.619 0.443 6.044 1.00 0.00 C ATOM 975 C PHE A 67 4.043 0.585 5.515 1.00 0.00 C ATOM 976 O PHE A 67 4.348 1.507 4.757 1.00 0.00 O ATOM 977 CB PHE A 67 1.808 -0.465 5.118 1.00 0.00 C ATOM 978 CG PHE A 67 2.287 -1.889 5.104 1.00 0.00 C ATOM 979 CD1 PHE A 67 3.385 -2.256 4.343 1.00 0.00 C ATOM 980 CD2 PHE A 67 1.639 -2.860 5.850 1.00 0.00 C ATOM 981 CE1 PHE A 67 3.829 -3.565 4.328 1.00 0.00 C ATOM 982 CE2 PHE A 67 2.078 -4.170 5.839 1.00 0.00 C ATOM 983 CZ PHE A 67 3.174 -4.523 5.076 1.00 0.00 C ATOM 0 H PHE A 67 2.224 2.408 5.430 1.00 0.00 H new ATOM 0 HA PHE A 67 2.662 -0.006 7.036 1.00 0.00 H new ATOM 0 HB2 PHE A 67 0.763 -0.445 5.427 1.00 0.00 H new ATOM 0 HB3 PHE A 67 1.849 -0.066 4.104 1.00 0.00 H new ATOM 0 HD1 PHE A 67 3.900 -1.511 3.755 1.00 0.00 H new ATOM 0 HD2 PHE A 67 0.781 -2.590 6.447 1.00 0.00 H new ATOM 0 HE1 PHE A 67 4.687 -3.838 3.732 1.00 0.00 H new ATOM 0 HE2 PHE A 67 1.565 -4.917 6.426 1.00 0.00 H new ATOM 0 HZ PHE A 67 3.518 -5.547 5.065 1.00 0.00 H new ATOM 993 N THR A 68 4.914 -0.334 5.920 1.00 0.00 N ATOM 994 CA THR A 68 6.306 -0.311 5.490 1.00 0.00 C ATOM 995 C THR A 68 6.764 -1.692 5.035 1.00 0.00 C ATOM 996 O THR A 68 6.767 -2.644 5.817 1.00 0.00 O ATOM 997 CB THR A 68 7.235 0.180 6.616 1.00 0.00 C ATOM 998 OG1 THR A 68 6.876 1.512 7.001 1.00 0.00 O ATOM 999 CG2 THR A 68 8.689 0.151 6.170 1.00 0.00 C ATOM 0 H THR A 68 4.679 -1.104 6.546 1.00 0.00 H new ATOM 0 HA THR A 68 6.366 0.383 4.652 1.00 0.00 H new ATOM 0 HB THR A 68 7.120 -0.489 7.469 1.00 0.00 H new ATOM 0 HG1 THR A 68 7.470 1.817 7.718 1.00 0.00 H new ATOM 0 HG21 THR A 68 9.326 0.502 6.982 1.00 0.00 H new ATOM 0 HG22 THR A 68 8.968 -0.869 5.905 1.00 0.00 H new ATOM 0 HG23 THR A 68 8.817 0.799 5.303 1.00 0.00 H new ATOM 1007 N ILE A 69 7.150 -1.795 3.768 1.00 0.00 N ATOM 1008 CA ILE A 69 7.611 -3.061 3.211 1.00 0.00 C ATOM 1009 C ILE A 69 9.014 -3.400 3.704 1.00 0.00 C ATOM 1010 O ILE A 69 9.914 -2.559 3.678 1.00 0.00 O ATOM 1011 CB ILE A 69 7.614 -3.030 1.671 1.00 0.00 C ATOM 1012 CG1 ILE A 69 6.184 -2.928 1.138 1.00 0.00 C ATOM 1013 CG2 ILE A 69 8.304 -4.268 1.118 1.00 0.00 C ATOM 1014 CD1 ILE A 69 6.101 -2.387 -0.272 1.00 0.00 C ATOM 0 H ILE A 69 7.153 -1.017 3.108 1.00 0.00 H new ATOM 0 HA ILE A 69 6.914 -3.828 3.550 1.00 0.00 H new ATOM 0 HB ILE A 69 8.168 -2.151 1.341 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.723 -3.915 1.167 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.603 -2.285 1.800 1.00 0.00 H new ATOM 0 HG21 ILE A 69 8.298 -4.232 0.029 1.00 0.00 H new ATOM 0 HG22 ILE A 69 9.334 -4.301 1.475 1.00 0.00 H new ATOM 0 HG23 ILE A 69 7.775 -5.160 1.454 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.057 -2.343 -0.584 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.532 -1.386 -0.304 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.653 -3.042 -0.946 1.00 0.00 H new ATOM 1026 N THR A 70 9.194 -4.638 4.153 1.00 0.00 N ATOM 1027 CA THR A 70 10.487 -5.089 4.652 1.00 0.00 C ATOM 1028 C THR A 70 11.172 -6.011 3.649 1.00 0.00 C ATOM 1029 O THR A 70 10.546 -6.911 3.091 1.00 0.00 O ATOM 1030 CB THR A 70 10.344 -5.827 5.996 1.00 0.00 C ATOM 1031 OG1 THR A 70 9.367 -6.868 5.882 1.00 0.00 O ATOM 1032 CG2 THR A 70 9.940 -4.864 7.102 1.00 0.00 C ATOM 0 H THR A 70 8.461 -5.346 4.181 1.00 0.00 H new ATOM 0 HA THR A 70 11.098 -4.198 4.799 1.00 0.00 H new ATOM 0 HB THR A 70 11.310 -6.263 6.251 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.347 -7.199 4.960 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.845 -5.408 8.042 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.700 -4.090 7.206 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.985 -4.403 6.852 1.00 0.00 H new ATOM 1040 N GLY A 71 12.462 -5.781 3.426 1.00 0.00 N ATOM 1041 CA GLY A 71 13.211 -6.600 2.491 1.00 0.00 C ATOM 1042 C GLY A 71 13.095 -6.103 1.063 1.00 0.00 C ATOM 1043 O GLY A 71 12.377 -6.687 0.251 1.00 0.00 O ATOM 0 H GLY A 71 13.002 -5.042 3.876 1.00 0.00 H new ATOM 0 HA2 GLY A 71 14.261 -6.613 2.784 1.00 0.00 H new ATOM 0 HA3 GLY A 71 12.853 -7.628 2.545 1.00 0.00 H new ATOM 1047 N LEU A 72 13.802 -5.021 0.756 1.00 0.00 N ATOM 1048 CA LEU A 72 13.775 -4.444 -0.583 1.00 0.00 C ATOM 1049 C LEU A 72 15.177 -4.047 -1.034 1.00 0.00 C ATOM 1050 O LEU A 72 15.898 -3.328 -0.341 1.00 0.00 O ATOM 1051 CB LEU A 72 12.852 -3.225 -0.616 1.00 0.00 C ATOM 1052 CG LEU A 72 11.366 -3.513 -0.834 1.00 0.00 C ATOM 1053 CD1 LEU A 72 10.541 -2.255 -0.617 1.00 0.00 C ATOM 1054 CD2 LEU A 72 11.131 -4.074 -2.229 1.00 0.00 C ATOM 0 H LEU A 72 14.401 -4.526 1.416 1.00 0.00 H new ATOM 0 HA LEU A 72 13.393 -5.200 -1.269 1.00 0.00 H new ATOM 0 HB2 LEU A 72 12.963 -2.685 0.324 1.00 0.00 H new ATOM 0 HB3 LEU A 72 13.192 -2.558 -1.408 1.00 0.00 H new ATOM 0 HG LEU A 72 11.049 -4.260 -0.106 1.00 0.00 H new ATOM 0 HD11 LEU A 72 9.486 -2.480 -0.777 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.686 -1.896 0.402 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.859 -1.486 -1.321 1.00 0.00 H new ATOM 0 HD21 LEU A 72 10.068 -4.273 -2.367 1.00 0.00 H new ATOM 0 HD22 LEU A 72 11.464 -3.350 -2.973 1.00 0.00 H new ATOM 0 HD23 LEU A 72 11.692 -5.001 -2.348 1.00 0.00 H new ATOM 1066 N PRO A 73 15.574 -4.523 -2.223 1.00 0.00 N ATOM 1067 CA PRO A 73 16.891 -4.228 -2.794 1.00 0.00 C ATOM 1068 C PRO A 73 17.024 -2.771 -3.224 1.00 0.00 C ATOM 1069 O PRO A 73 16.157 -2.234 -3.913 1.00 0.00 O ATOM 1070 CB PRO A 73 16.965 -5.153 -4.012 1.00 0.00 C ATOM 1071 CG PRO A 73 15.545 -5.397 -4.389 1.00 0.00 C ATOM 1072 CD PRO A 73 14.767 -5.386 -3.102 1.00 0.00 C ATOM 0 HA PRO A 73 17.692 -4.386 -2.072 1.00 0.00 H new ATOM 0 HB2 PRO A 73 17.517 -4.688 -4.829 1.00 0.00 H new ATOM 0 HB3 PRO A 73 17.476 -6.085 -3.771 1.00 0.00 H new ATOM 0 HG2 PRO A 73 15.184 -4.626 -5.070 1.00 0.00 H new ATOM 0 HG3 PRO A 73 15.436 -6.352 -4.903 1.00 0.00 H new ATOM 0 HD2 PRO A 73 13.762 -4.988 -3.243 1.00 0.00 H new ATOM 0 HD3 PRO A 73 14.658 -6.389 -2.690 1.00 0.00 H new ATOM 1080 N THR A 74 18.116 -2.135 -2.811 1.00 0.00 N ATOM 1081 CA THR A 74 18.362 -0.739 -3.153 1.00 0.00 C ATOM 1082 C THR A 74 18.263 -0.516 -4.657 1.00 0.00 C ATOM 1083 O THR A 74 18.651 -1.375 -5.449 1.00 0.00 O ATOM 1084 CB THR A 74 19.750 -0.279 -2.667 1.00 0.00 C ATOM 1085 OG1 THR A 74 19.882 -0.521 -1.262 1.00 0.00 O ATOM 1086 CG2 THR A 74 19.959 1.201 -2.953 1.00 0.00 C ATOM 0 H THR A 74 18.844 -2.564 -2.240 1.00 0.00 H new ATOM 0 HA THR A 74 17.595 -0.150 -2.650 1.00 0.00 H new ATOM 0 HB THR A 74 20.507 -0.849 -3.206 1.00 0.00 H new ATOM 0 HG1 THR A 74 20.767 -0.228 -0.961 1.00 0.00 H new ATOM 0 HG21 THR A 74 20.945 1.504 -2.601 1.00 0.00 H new ATOM 0 HG22 THR A 74 19.886 1.378 -4.026 1.00 0.00 H new ATOM 0 HG23 THR A 74 19.195 1.783 -2.437 1.00 0.00 H new ATOM 1094 N ASP A 75 17.743 0.643 -5.045 1.00 0.00 N ATOM 1095 CA ASP A 75 17.595 0.981 -6.456 1.00 0.00 C ATOM 1096 C ASP A 75 16.666 -0.006 -7.156 1.00 0.00 C ATOM 1097 O ASP A 75 16.962 -0.481 -8.252 1.00 0.00 O ATOM 1098 CB ASP A 75 18.960 0.993 -7.146 1.00 0.00 C ATOM 1099 CG ASP A 75 19.830 2.146 -6.686 1.00 0.00 C ATOM 1100 OD1 ASP A 75 19.641 3.272 -7.193 1.00 0.00 O ATOM 1101 OD2 ASP A 75 20.701 1.923 -5.819 1.00 0.00 O ATOM 0 H ASP A 75 17.417 1.365 -4.402 1.00 0.00 H new ATOM 0 HA ASP A 75 17.155 1.976 -6.522 1.00 0.00 H new ATOM 0 HB2 ASP A 75 19.473 0.052 -6.947 1.00 0.00 H new ATOM 0 HB3 ASP A 75 18.818 1.056 -8.225 1.00 0.00 H new ATOM 1106 N ALA A 76 15.543 -0.311 -6.515 1.00 0.00 N ATOM 1107 CA ALA A 76 14.571 -1.241 -7.077 1.00 0.00 C ATOM 1108 C ALA A 76 13.195 -0.593 -7.194 1.00 0.00 C ATOM 1109 O ALA A 76 12.784 0.178 -6.326 1.00 0.00 O ATOM 1110 CB ALA A 76 14.493 -2.500 -6.226 1.00 0.00 C ATOM 0 H ALA A 76 15.284 0.072 -5.606 1.00 0.00 H new ATOM 0 HA ALA A 76 14.902 -1.513 -8.079 1.00 0.00 H new ATOM 0 HB1 ALA A 76 13.764 -3.186 -6.657 1.00 0.00 H new ATOM 0 HB2 ALA A 76 15.471 -2.981 -6.198 1.00 0.00 H new ATOM 0 HB3 ALA A 76 14.189 -2.236 -5.213 1.00 0.00 H new ATOM 1116 N LYS A 77 12.487 -0.909 -8.273 1.00 0.00 N ATOM 1117 CA LYS A 77 11.157 -0.359 -8.504 1.00 0.00 C ATOM 1118 C LYS A 77 10.080 -1.399 -8.215 1.00 0.00 C ATOM 1119 O LYS A 77 10.203 -2.559 -8.609 1.00 0.00 O ATOM 1120 CB LYS A 77 11.031 0.134 -9.947 1.00 0.00 C ATOM 1121 CG LYS A 77 11.925 1.320 -10.266 1.00 0.00 C ATOM 1122 CD LYS A 77 11.463 2.046 -11.518 1.00 0.00 C ATOM 1123 CE LYS A 77 12.393 3.198 -11.869 1.00 0.00 C ATOM 1124 NZ LYS A 77 12.124 3.732 -13.233 1.00 0.00 N ATOM 0 H LYS A 77 12.813 -1.544 -9.002 1.00 0.00 H new ATOM 0 HA LYS A 77 11.016 0.482 -7.825 1.00 0.00 H new ATOM 0 HB2 LYS A 77 11.273 -0.685 -10.624 1.00 0.00 H new ATOM 0 HB3 LYS A 77 9.994 0.410 -10.138 1.00 0.00 H new ATOM 0 HG2 LYS A 77 11.928 2.012 -9.424 1.00 0.00 H new ATOM 0 HG3 LYS A 77 12.951 0.978 -10.401 1.00 0.00 H new ATOM 0 HD2 LYS A 77 11.420 1.345 -12.351 1.00 0.00 H new ATOM 0 HD3 LYS A 77 10.452 2.426 -11.368 1.00 0.00 H new ATOM 0 HE2 LYS A 77 12.275 3.996 -11.137 1.00 0.00 H new ATOM 0 HE3 LYS A 77 13.428 2.861 -11.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 12.778 4.515 -13.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 12.262 2.977 -13.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 11.144 4.077 -13.284 1.00 0.00 H new ATOM 1138 N ILE A 78 9.025 -0.976 -7.526 1.00 0.00 N ATOM 1139 CA ILE A 78 7.926 -1.871 -7.187 1.00 0.00 C ATOM 1140 C ILE A 78 6.585 -1.148 -7.260 1.00 0.00 C ATOM 1141 O ILE A 78 6.521 0.077 -7.147 1.00 0.00 O ATOM 1142 CB ILE A 78 8.099 -2.466 -5.777 1.00 0.00 C ATOM 1143 CG1 ILE A 78 8.015 -1.363 -4.720 1.00 0.00 C ATOM 1144 CG2 ILE A 78 9.424 -3.206 -5.674 1.00 0.00 C ATOM 1145 CD1 ILE A 78 7.825 -1.887 -3.314 1.00 0.00 C ATOM 0 H ILE A 78 8.909 -0.019 -7.192 1.00 0.00 H new ATOM 0 HA ILE A 78 7.941 -2.679 -7.918 1.00 0.00 H new ATOM 0 HB ILE A 78 7.293 -3.177 -5.597 1.00 0.00 H new ATOM 0 HG12 ILE A 78 8.926 -0.766 -4.756 1.00 0.00 H new ATOM 0 HG13 ILE A 78 7.188 -0.697 -4.966 1.00 0.00 H new ATOM 0 HG21 ILE A 78 9.532 -3.621 -4.672 1.00 0.00 H new ATOM 0 HG22 ILE A 78 9.448 -4.014 -6.406 1.00 0.00 H new ATOM 0 HG23 ILE A 78 10.243 -2.514 -5.871 1.00 0.00 H new ATOM 0 HD11 ILE A 78 7.774 -1.050 -2.618 1.00 0.00 H new ATOM 0 HD12 ILE A 78 6.899 -2.460 -3.261 1.00 0.00 H new ATOM 0 HD13 ILE A 78 8.665 -2.529 -3.048 1.00 0.00 H new ATOM 1157 N PHE A 79 5.516 -1.913 -7.449 1.00 0.00 N ATOM 1158 CA PHE A 79 4.175 -1.346 -7.536 1.00 0.00 C ATOM 1159 C PHE A 79 3.401 -1.578 -6.242 1.00 0.00 C ATOM 1160 O PHE A 79 3.216 -2.717 -5.812 1.00 0.00 O ATOM 1161 CB PHE A 79 3.415 -1.957 -8.715 1.00 0.00 C ATOM 1162 CG PHE A 79 4.091 -1.742 -10.040 1.00 0.00 C ATOM 1163 CD1 PHE A 79 3.830 -0.605 -10.788 1.00 0.00 C ATOM 1164 CD2 PHE A 79 4.985 -2.676 -10.536 1.00 0.00 C ATOM 1165 CE1 PHE A 79 4.450 -0.404 -12.007 1.00 0.00 C ATOM 1166 CE2 PHE A 79 5.608 -2.480 -11.754 1.00 0.00 C ATOM 1167 CZ PHE A 79 5.339 -1.343 -12.491 1.00 0.00 C ATOM 0 H PHE A 79 5.552 -2.928 -7.545 1.00 0.00 H new ATOM 0 HA PHE A 79 4.272 -0.272 -7.693 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.297 -3.027 -8.546 1.00 0.00 H new ATOM 0 HB3 PHE A 79 2.414 -1.528 -8.753 1.00 0.00 H new ATOM 0 HD1 PHE A 79 3.135 0.132 -10.414 1.00 0.00 H new ATOM 0 HD2 PHE A 79 5.198 -3.567 -9.965 1.00 0.00 H new ATOM 0 HE1 PHE A 79 4.239 0.487 -12.580 1.00 0.00 H new ATOM 0 HE2 PHE A 79 6.305 -3.215 -12.129 1.00 0.00 H new ATOM 0 HZ PHE A 79 5.823 -1.189 -13.444 1.00 0.00 H new ATOM 1177 N VAL A 80 2.951 -0.490 -5.625 1.00 0.00 N ATOM 1178 CA VAL A 80 2.196 -0.574 -4.380 1.00 0.00 C ATOM 1179 C VAL A 80 0.725 -0.244 -4.607 1.00 0.00 C ATOM 1180 O VAL A 80 0.393 0.687 -5.341 1.00 0.00 O ATOM 1181 CB VAL A 80 2.766 0.378 -3.313 1.00 0.00 C ATOM 1182 CG1 VAL A 80 1.891 0.372 -2.069 1.00 0.00 C ATOM 1183 CG2 VAL A 80 4.198 -0.005 -2.969 1.00 0.00 C ATOM 0 H VAL A 80 3.096 0.460 -5.967 1.00 0.00 H new ATOM 0 HA VAL A 80 2.284 -1.600 -4.024 1.00 0.00 H new ATOM 0 HB VAL A 80 2.771 1.390 -3.719 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.310 1.051 -1.326 1.00 0.00 H new ATOM 0 HG12 VAL A 80 0.884 0.697 -2.331 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.851 -0.636 -1.657 1.00 0.00 H new ATOM 0 HG21 VAL A 80 4.586 0.678 -2.213 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.219 -1.024 -2.582 1.00 0.00 H new ATOM 0 HG23 VAL A 80 4.816 0.056 -3.865 1.00 0.00 H new ATOM 1193 N ARG A 81 -0.153 -1.012 -3.970 1.00 0.00 N ATOM 1194 CA ARG A 81 -1.590 -0.802 -4.103 1.00 0.00 C ATOM 1195 C ARG A 81 -2.324 -1.258 -2.845 1.00 0.00 C ATOM 1196 O ARG A 81 -2.012 -2.304 -2.277 1.00 0.00 O ATOM 1197 CB ARG A 81 -2.127 -1.554 -5.321 1.00 0.00 C ATOM 1198 CG ARG A 81 -1.855 -3.049 -5.282 1.00 0.00 C ATOM 1199 CD ARG A 81 -2.791 -3.810 -6.208 1.00 0.00 C ATOM 1200 NE ARG A 81 -2.502 -5.242 -6.223 1.00 0.00 N ATOM 1201 CZ ARG A 81 -3.161 -6.116 -6.976 1.00 0.00 C ATOM 1202 NH1 ARG A 81 -4.140 -5.708 -7.770 1.00 0.00 N ATOM 1203 NH2 ARG A 81 -2.839 -7.403 -6.934 1.00 0.00 N ATOM 0 H ARG A 81 0.105 -1.785 -3.357 1.00 0.00 H new ATOM 0 HA ARG A 81 -1.765 0.265 -4.239 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -3.202 -1.391 -5.393 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -1.680 -1.135 -6.222 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -0.821 -3.239 -5.571 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -1.974 -3.415 -4.262 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -3.822 -3.652 -5.891 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -2.703 -3.412 -7.219 1.00 0.00 H new ATOM 0 HE ARG A 81 -1.754 -5.590 -5.623 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -4.390 -4.720 -7.805 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -4.644 -6.382 -8.347 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -2.086 -7.721 -6.324 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -3.345 -8.074 -7.512 1.00 0.00 H new ATOM 1217 N VAL A 82 -3.301 -0.465 -2.416 1.00 0.00 N ATOM 1218 CA VAL A 82 -4.080 -0.787 -1.226 1.00 0.00 C ATOM 1219 C VAL A 82 -5.546 -1.018 -1.576 1.00 0.00 C ATOM 1220 O VAL A 82 -6.081 -0.400 -2.496 1.00 0.00 O ATOM 1221 CB VAL A 82 -3.985 0.333 -0.173 1.00 0.00 C ATOM 1222 CG1 VAL A 82 -2.635 0.295 0.526 1.00 0.00 C ATOM 1223 CG2 VAL A 82 -4.224 1.691 -0.816 1.00 0.00 C ATOM 0 H VAL A 82 -3.572 0.405 -2.875 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.660 -1.703 -0.810 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.760 0.170 0.576 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.586 1.093 1.266 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.509 -0.668 1.021 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.841 0.432 -0.208 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.153 2.470 -0.057 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.473 1.866 -1.587 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.217 1.711 -1.265 1.00 0.00 H new ATOM 1233 N LYS A 83 -6.191 -1.912 -0.834 1.00 0.00 N ATOM 1234 CA LYS A 83 -7.596 -2.226 -1.063 1.00 0.00 C ATOM 1235 C LYS A 83 -8.374 -2.226 0.249 1.00 0.00 C ATOM 1236 O LYS A 83 -7.877 -2.687 1.276 1.00 0.00 O ATOM 1237 CB LYS A 83 -7.732 -3.587 -1.749 1.00 0.00 C ATOM 1238 CG LYS A 83 -6.555 -3.938 -2.643 1.00 0.00 C ATOM 1239 CD LYS A 83 -6.698 -5.331 -3.232 1.00 0.00 C ATOM 1240 CE LYS A 83 -6.105 -6.388 -2.313 1.00 0.00 C ATOM 1241 NZ LYS A 83 -4.630 -6.502 -2.477 1.00 0.00 N ATOM 0 H LYS A 83 -5.762 -2.432 -0.068 1.00 0.00 H new ATOM 0 HA LYS A 83 -8.013 -1.456 -1.713 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.842 -4.359 -0.987 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -8.645 -3.595 -2.345 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.478 -3.208 -3.448 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -5.630 -3.878 -2.069 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -7.752 -5.548 -3.405 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -6.201 -5.370 -4.201 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -6.337 -6.140 -1.277 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -6.569 -7.352 -2.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -4.265 -7.233 -1.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -4.409 -6.764 -3.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -4.184 -5.589 -2.253 1.00 0.00 H new ATOM 1255 N ALA A 84 -9.597 -1.708 0.207 1.00 0.00 N ATOM 1256 CA ALA A 84 -10.445 -1.652 1.391 1.00 0.00 C ATOM 1257 C ALA A 84 -11.265 -2.929 1.540 1.00 0.00 C ATOM 1258 O ALA A 84 -12.175 -3.190 0.753 1.00 0.00 O ATOM 1259 CB ALA A 84 -11.360 -0.439 1.328 1.00 0.00 C ATOM 0 H ALA A 84 -10.023 -1.321 -0.635 1.00 0.00 H new ATOM 0 HA ALA A 84 -9.800 -1.562 2.265 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -11.988 -0.410 2.219 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -10.758 0.468 1.278 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -11.991 -0.505 0.442 1.00 0.00 H new ATOM 1265 N VAL A 85 -10.936 -3.723 2.555 1.00 0.00 N ATOM 1266 CA VAL A 85 -11.643 -4.973 2.807 1.00 0.00 C ATOM 1267 C VAL A 85 -12.676 -4.806 3.916 1.00 0.00 C ATOM 1268 O VAL A 85 -12.370 -4.291 4.990 1.00 0.00 O ATOM 1269 CB VAL A 85 -10.668 -6.101 3.195 1.00 0.00 C ATOM 1270 CG1 VAL A 85 -11.432 -7.355 3.590 1.00 0.00 C ATOM 1271 CG2 VAL A 85 -9.707 -6.390 2.051 1.00 0.00 C ATOM 0 H VAL A 85 -10.185 -3.523 3.215 1.00 0.00 H new ATOM 0 HA VAL A 85 -12.149 -5.243 1.880 1.00 0.00 H new ATOM 0 HB VAL A 85 -10.085 -5.774 4.056 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -10.727 -8.141 3.861 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -12.076 -7.136 4.442 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -12.042 -7.689 2.751 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -9.025 -7.189 2.342 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -10.271 -6.697 1.170 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -9.135 -5.491 1.820 1.00 0.00 H new ATOM 1281 N ASN A 86 -13.901 -5.246 3.647 1.00 0.00 N ATOM 1282 CA ASN A 86 -14.981 -5.145 4.622 1.00 0.00 C ATOM 1283 C ASN A 86 -15.726 -6.471 4.746 1.00 0.00 C ATOM 1284 O ASN A 86 -15.462 -7.415 4.004 1.00 0.00 O ATOM 1285 CB ASN A 86 -15.954 -4.035 4.223 1.00 0.00 C ATOM 1286 CG ASN A 86 -15.241 -2.778 3.764 1.00 0.00 C ATOM 1287 OD1 ASN A 86 -15.341 -1.727 4.398 1.00 0.00 O ATOM 1288 ND2 ASN A 86 -14.516 -2.880 2.656 1.00 0.00 N ATOM 0 H ASN A 86 -14.171 -5.676 2.762 1.00 0.00 H new ATOM 0 HA ASN A 86 -14.543 -4.903 5.590 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -16.602 -4.394 3.424 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -16.596 -3.796 5.071 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -14.014 -2.067 2.298 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -14.461 -3.771 2.163 1.00 0.00 H new ATOM 1295 N ALA A 87 -16.660 -6.531 5.690 1.00 0.00 N ATOM 1296 CA ALA A 87 -17.446 -7.739 5.910 1.00 0.00 C ATOM 1297 C ALA A 87 -18.185 -8.152 4.642 1.00 0.00 C ATOM 1298 O ALA A 87 -18.256 -9.335 4.311 1.00 0.00 O ATOM 1299 CB ALA A 87 -18.430 -7.528 7.052 1.00 0.00 C ATOM 0 H ALA A 87 -16.891 -5.758 6.314 1.00 0.00 H new ATOM 0 HA ALA A 87 -16.762 -8.544 6.179 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -19.010 -8.438 7.205 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -17.883 -7.289 7.964 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -19.102 -6.706 6.806 1.00 0.00 H new ATOM 1305 N ALA A 88 -18.736 -7.169 3.937 1.00 0.00 N ATOM 1306 CA ALA A 88 -19.468 -7.430 2.704 1.00 0.00 C ATOM 1307 C ALA A 88 -18.562 -8.054 1.649 1.00 0.00 C ATOM 1308 O ALA A 88 -18.880 -9.100 1.084 1.00 0.00 O ATOM 1309 CB ALA A 88 -20.089 -6.145 2.177 1.00 0.00 C ATOM 0 H ALA A 88 -18.689 -6.184 4.199 1.00 0.00 H new ATOM 0 HA ALA A 88 -20.264 -8.140 2.927 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -20.633 -6.355 1.256 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -20.777 -5.742 2.920 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -19.303 -5.417 1.977 1.00 0.00 H new ATOM 1315 N GLY A 89 -17.432 -7.405 1.387 1.00 0.00 N ATOM 1316 CA GLY A 89 -16.497 -7.912 0.399 1.00 0.00 C ATOM 1317 C GLY A 89 -15.231 -7.082 0.319 1.00 0.00 C ATOM 1318 O GLY A 89 -14.572 -6.846 1.331 1.00 0.00 O ATOM 0 H GLY A 89 -17.147 -6.537 1.841 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -16.238 -8.942 0.644 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -16.979 -7.928 -0.578 1.00 0.00 H new ATOM 1322 N ALA A 90 -14.889 -6.640 -0.887 1.00 0.00 N ATOM 1323 CA ALA A 90 -13.694 -5.833 -1.094 1.00 0.00 C ATOM 1324 C ALA A 90 -13.913 -4.800 -2.194 1.00 0.00 C ATOM 1325 O ALA A 90 -14.738 -4.995 -3.086 1.00 0.00 O ATOM 1326 CB ALA A 90 -12.507 -6.723 -1.432 1.00 0.00 C ATOM 0 H ALA A 90 -15.423 -6.828 -1.735 1.00 0.00 H new ATOM 0 HA ALA A 90 -13.481 -5.300 -0.168 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -11.621 -6.106 -1.584 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -12.328 -7.418 -0.612 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -12.720 -7.283 -2.343 1.00 0.00 H new ATOM 1332 N SER A 91 -13.169 -3.701 -2.124 1.00 0.00 N ATOM 1333 CA SER A 91 -13.285 -2.634 -3.112 1.00 0.00 C ATOM 1334 C SER A 91 -12.152 -2.711 -4.130 1.00 0.00 C ATOM 1335 O SER A 91 -11.190 -3.457 -3.949 1.00 0.00 O ATOM 1336 CB SER A 91 -13.276 -1.268 -2.423 1.00 0.00 C ATOM 1337 OG SER A 91 -13.753 -0.256 -3.292 1.00 0.00 O ATOM 0 H SER A 91 -12.479 -3.526 -1.393 1.00 0.00 H new ATOM 0 HA SER A 91 -14.231 -2.761 -3.638 1.00 0.00 H new ATOM 0 HB2 SER A 91 -13.896 -1.305 -1.527 1.00 0.00 H new ATOM 0 HB3 SER A 91 -12.263 -1.027 -2.100 1.00 0.00 H new ATOM 0 HG SER A 91 -14.547 0.164 -2.900 1.00 0.00 H new ATOM 1343 N GLU A 92 -12.274 -1.934 -5.202 1.00 0.00 N ATOM 1344 CA GLU A 92 -11.260 -1.914 -6.250 1.00 0.00 C ATOM 1345 C GLU A 92 -9.903 -1.503 -5.686 1.00 0.00 C ATOM 1346 O GLU A 92 -9.802 -0.664 -4.791 1.00 0.00 O ATOM 1347 CB GLU A 92 -11.671 -0.956 -7.370 1.00 0.00 C ATOM 1348 CG GLU A 92 -11.449 0.508 -7.030 1.00 0.00 C ATOM 1349 CD GLU A 92 -11.733 1.428 -8.201 1.00 0.00 C ATOM 1350 OE1 GLU A 92 -11.416 1.044 -9.347 1.00 0.00 O ATOM 1351 OE2 GLU A 92 -12.271 2.532 -7.973 1.00 0.00 O ATOM 0 H GLU A 92 -13.064 -1.311 -5.367 1.00 0.00 H new ATOM 0 HA GLU A 92 -11.175 -2.922 -6.657 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -11.108 -1.201 -8.271 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -12.725 -1.111 -7.601 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -12.090 0.784 -6.192 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -10.419 0.649 -6.703 1.00 0.00 H new ATOM 1358 N PRO A 93 -8.832 -2.108 -6.222 1.00 0.00 N ATOM 1359 CA PRO A 93 -7.461 -1.821 -5.788 1.00 0.00 C ATOM 1360 C PRO A 93 -7.002 -0.427 -6.201 1.00 0.00 C ATOM 1361 O PRO A 93 -7.390 0.079 -7.254 1.00 0.00 O ATOM 1362 CB PRO A 93 -6.632 -2.891 -6.504 1.00 0.00 C ATOM 1363 CG PRO A 93 -7.437 -3.255 -7.703 1.00 0.00 C ATOM 1364 CD PRO A 93 -8.877 -3.118 -7.292 1.00 0.00 C ATOM 0 HA PRO A 93 -7.364 -1.842 -4.703 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.651 -2.508 -6.787 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -6.464 -3.756 -5.863 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.206 -2.598 -8.542 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -7.218 -4.273 -8.026 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -9.503 -2.795 -8.124 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -9.285 -4.064 -6.935 1.00 0.00 H new ATOM 1372 N LYS A 94 -6.173 0.189 -5.366 1.00 0.00 N ATOM 1373 CA LYS A 94 -5.659 1.525 -5.644 1.00 0.00 C ATOM 1374 C LYS A 94 -4.285 1.453 -6.301 1.00 0.00 C ATOM 1375 O LYS A 94 -3.282 1.188 -5.638 1.00 0.00 O ATOM 1376 CB LYS A 94 -5.576 2.341 -4.352 1.00 0.00 C ATOM 1377 CG LYS A 94 -5.371 3.828 -4.584 1.00 0.00 C ATOM 1378 CD LYS A 94 -6.534 4.440 -5.346 1.00 0.00 C ATOM 1379 CE LYS A 94 -6.702 5.915 -5.017 1.00 0.00 C ATOM 1380 NZ LYS A 94 -7.847 6.521 -5.752 1.00 0.00 N ATOM 0 H LYS A 94 -5.842 -0.216 -4.490 1.00 0.00 H new ATOM 0 HA LYS A 94 -6.347 2.016 -6.333 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -6.492 2.194 -3.780 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -4.756 1.960 -3.744 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -5.257 4.334 -3.625 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.447 3.986 -5.140 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -6.371 4.321 -6.417 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -7.452 3.905 -5.102 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -6.856 6.032 -3.944 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -5.786 6.450 -5.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -7.928 7.527 -5.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -7.688 6.432 -6.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -8.725 6.028 -5.494 1.00 0.00 H new ATOM 1394 N TYR A 95 -4.245 1.691 -7.607 1.00 0.00 N ATOM 1395 CA TYR A 95 -2.993 1.652 -8.354 1.00 0.00 C ATOM 1396 C TYR A 95 -2.304 3.012 -8.333 1.00 0.00 C ATOM 1397 O TYR A 95 -2.876 4.018 -8.753 1.00 0.00 O ATOM 1398 CB TYR A 95 -3.250 1.220 -9.799 1.00 0.00 C ATOM 1399 CG TYR A 95 -3.479 -0.266 -9.955 1.00 0.00 C ATOM 1400 CD1 TYR A 95 -2.411 -1.156 -9.964 1.00 0.00 C ATOM 1401 CD2 TYR A 95 -4.762 -0.781 -10.096 1.00 0.00 C ATOM 1402 CE1 TYR A 95 -2.615 -2.515 -10.107 1.00 0.00 C ATOM 1403 CE2 TYR A 95 -4.975 -2.138 -10.238 1.00 0.00 C ATOM 1404 CZ TYR A 95 -3.899 -3.001 -10.243 1.00 0.00 C ATOM 1405 OH TYR A 95 -4.107 -4.354 -10.387 1.00 0.00 O ATOM 0 H TYR A 95 -5.065 1.913 -8.171 1.00 0.00 H new ATOM 0 HA TYR A 95 -2.337 0.925 -7.876 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -4.120 1.755 -10.180 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -2.400 1.515 -10.414 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -1.405 -0.779 -9.857 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -5.607 -0.108 -10.094 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -1.774 -3.193 -10.112 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -5.979 -2.522 -10.345 1.00 0.00 H new ATOM 0 HH TYR A 95 -5.067 -4.530 -10.470 1.00 0.00 H new ATOM 1415 N TYR A 96 -1.070 3.035 -7.841 1.00 0.00 N ATOM 1416 CA TYR A 96 -0.301 4.272 -7.762 1.00 0.00 C ATOM 1417 C TYR A 96 0.144 4.725 -9.149 1.00 0.00 C ATOM 1418 O TYR A 96 0.661 3.933 -9.937 1.00 0.00 O ATOM 1419 CB TYR A 96 0.919 4.082 -6.859 1.00 0.00 C ATOM 1420 CG TYR A 96 1.499 5.380 -6.344 1.00 0.00 C ATOM 1421 CD1 TYR A 96 1.976 6.347 -7.221 1.00 0.00 C ATOM 1422 CD2 TYR A 96 1.569 5.639 -4.981 1.00 0.00 C ATOM 1423 CE1 TYR A 96 2.507 7.533 -6.754 1.00 0.00 C ATOM 1424 CE2 TYR A 96 2.097 6.824 -4.506 1.00 0.00 C ATOM 1425 CZ TYR A 96 2.566 7.768 -5.396 1.00 0.00 C ATOM 1426 OH TYR A 96 3.093 8.949 -4.928 1.00 0.00 O ATOM 0 H TYR A 96 -0.581 2.211 -7.491 1.00 0.00 H new ATOM 0 HA TYR A 96 -0.943 5.043 -7.336 1.00 0.00 H new ATOM 0 HB2 TYR A 96 0.639 3.457 -6.011 1.00 0.00 H new ATOM 0 HB3 TYR A 96 1.689 3.543 -7.411 1.00 0.00 H new ATOM 0 HD1 TYR A 96 1.931 6.168 -8.285 1.00 0.00 H new ATOM 0 HD2 TYR A 96 1.205 4.902 -4.281 1.00 0.00 H new ATOM 0 HE1 TYR A 96 2.875 8.273 -7.449 1.00 0.00 H new ATOM 0 HE2 TYR A 96 2.142 7.010 -3.443 1.00 0.00 H new ATOM 0 HH TYR A 96 2.474 9.350 -4.283 1.00 0.00 H new ATOM 1436 N SER A 97 -0.060 6.006 -9.440 1.00 0.00 N ATOM 1437 CA SER A 97 0.317 6.566 -10.732 1.00 0.00 C ATOM 1438 C SER A 97 1.723 6.123 -11.127 1.00 0.00 C ATOM 1439 O SER A 97 1.896 5.324 -12.047 1.00 0.00 O ATOM 1440 CB SER A 97 0.245 8.094 -10.690 1.00 0.00 C ATOM 1441 OG SER A 97 0.087 8.633 -11.991 1.00 0.00 O ATOM 0 H SER A 97 -0.484 6.675 -8.798 1.00 0.00 H new ATOM 0 HA SER A 97 -0.385 6.196 -11.479 1.00 0.00 H new ATOM 0 HB2 SER A 97 -0.589 8.405 -10.060 1.00 0.00 H new ATOM 0 HB3 SER A 97 1.153 8.492 -10.236 1.00 0.00 H new ATOM 0 HG SER A 97 0.042 9.610 -11.937 1.00 0.00 H new ATOM 1447 N GLN A 98 2.721 6.647 -10.424 1.00 0.00 N ATOM 1448 CA GLN A 98 4.112 6.306 -10.702 1.00 0.00 C ATOM 1449 C GLN A 98 4.646 5.319 -9.670 1.00 0.00 C ATOM 1450 O GLN A 98 4.258 5.334 -8.501 1.00 0.00 O ATOM 1451 CB GLN A 98 4.976 7.568 -10.714 1.00 0.00 C ATOM 1452 CG GLN A 98 5.346 8.065 -9.326 1.00 0.00 C ATOM 1453 CD GLN A 98 5.781 9.517 -9.323 1.00 0.00 C ATOM 1454 OE1 GLN A 98 6.692 9.905 -10.054 1.00 0.00 O ATOM 1455 NE2 GLN A 98 5.131 10.329 -8.497 1.00 0.00 N ATOM 0 H GLN A 98 2.593 7.309 -9.658 1.00 0.00 H new ATOM 0 HA GLN A 98 4.156 5.836 -11.684 1.00 0.00 H new ATOM 0 HB2 GLN A 98 5.889 7.368 -11.275 1.00 0.00 H new ATOM 0 HB3 GLN A 98 4.443 8.358 -11.244 1.00 0.00 H new ATOM 0 HG2 GLN A 98 4.491 7.945 -8.661 1.00 0.00 H new ATOM 0 HG3 GLN A 98 6.150 7.448 -8.926 1.00 0.00 H new ATOM 0 HE21 GLN A 98 4.382 9.965 -7.908 1.00 0.00 H new ATOM 0 HE22 GLN A 98 5.381 11.317 -8.451 1.00 0.00 H new ATOM 1464 N PRO A 99 5.559 4.439 -10.109 1.00 0.00 N ATOM 1465 CA PRO A 99 6.167 3.428 -9.238 1.00 0.00 C ATOM 1466 C PRO A 99 7.110 4.041 -8.209 1.00 0.00 C ATOM 1467 O PRO A 99 7.741 5.067 -8.465 1.00 0.00 O ATOM 1468 CB PRO A 99 6.944 2.541 -10.214 1.00 0.00 C ATOM 1469 CG PRO A 99 7.236 3.424 -11.378 1.00 0.00 C ATOM 1470 CD PRO A 99 6.068 4.364 -11.489 1.00 0.00 C ATOM 0 HA PRO A 99 5.420 2.890 -8.654 1.00 0.00 H new ATOM 0 HB2 PRO A 99 7.862 2.165 -9.762 1.00 0.00 H new ATOM 0 HB3 PRO A 99 6.357 1.673 -10.513 1.00 0.00 H new ATOM 0 HG2 PRO A 99 8.166 3.973 -11.228 1.00 0.00 H new ATOM 0 HG3 PRO A 99 7.355 2.840 -12.291 1.00 0.00 H new ATOM 0 HD2 PRO A 99 6.374 5.343 -11.858 1.00 0.00 H new ATOM 0 HD3 PRO A 99 5.311 3.986 -12.176 1.00 0.00 H new ATOM 1478 N ILE A 100 7.201 3.406 -7.045 1.00 0.00 N ATOM 1479 CA ILE A 100 8.069 3.889 -5.978 1.00 0.00 C ATOM 1480 C ILE A 100 9.489 3.360 -6.143 1.00 0.00 C ATOM 1481 O ILE A 100 9.694 2.213 -6.544 1.00 0.00 O ATOM 1482 CB ILE A 100 7.537 3.479 -4.592 1.00 0.00 C ATOM 1483 CG1 ILE A 100 6.097 3.962 -4.410 1.00 0.00 C ATOM 1484 CG2 ILE A 100 8.431 4.040 -3.495 1.00 0.00 C ATOM 1485 CD1 ILE A 100 5.063 2.989 -4.933 1.00 0.00 C ATOM 0 H ILE A 100 6.685 2.556 -6.817 1.00 0.00 H new ATOM 0 HA ILE A 100 8.080 4.977 -6.047 1.00 0.00 H new ATOM 0 HB ILE A 100 7.547 2.391 -4.523 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.913 4.140 -3.351 1.00 0.00 H new ATOM 0 HG13 ILE A 100 5.976 4.918 -4.920 1.00 0.00 H new ATOM 0 HG21 ILE A 100 8.043 3.742 -2.521 1.00 0.00 H new ATOM 0 HG22 ILE A 100 9.443 3.652 -3.616 1.00 0.00 H new ATOM 0 HG23 ILE A 100 8.449 5.128 -3.561 1.00 0.00 H new ATOM 0 HD11 ILE A 100 4.065 3.396 -4.771 1.00 0.00 H new ATOM 0 HD12 ILE A 100 5.221 2.829 -6.000 1.00 0.00 H new ATOM 0 HD13 ILE A 100 5.157 2.040 -4.406 1.00 0.00 H new ATOM 1497 N LEU A 101 10.468 4.201 -5.828 1.00 0.00 N ATOM 1498 CA LEU A 101 11.871 3.817 -5.939 1.00 0.00 C ATOM 1499 C LEU A 101 12.533 3.770 -4.565 1.00 0.00 C ATOM 1500 O LEU A 101 12.875 4.806 -3.993 1.00 0.00 O ATOM 1501 CB LEU A 101 12.618 4.798 -6.844 1.00 0.00 C ATOM 1502 CG LEU A 101 14.083 4.466 -7.130 1.00 0.00 C ATOM 1503 CD1 LEU A 101 14.190 3.190 -7.951 1.00 0.00 C ATOM 1504 CD2 LEU A 101 14.763 5.622 -7.848 1.00 0.00 C ATOM 0 H LEU A 101 10.316 5.153 -5.494 1.00 0.00 H new ATOM 0 HA LEU A 101 11.916 2.820 -6.378 1.00 0.00 H new ATOM 0 HB2 LEU A 101 12.088 4.860 -7.795 1.00 0.00 H new ATOM 0 HB3 LEU A 101 12.573 5.787 -6.389 1.00 0.00 H new ATOM 0 HG LEU A 101 14.591 4.307 -6.179 1.00 0.00 H new ATOM 0 HD11 LEU A 101 15.240 2.969 -8.145 1.00 0.00 H new ATOM 0 HD12 LEU A 101 13.741 2.364 -7.400 1.00 0.00 H new ATOM 0 HD13 LEU A 101 13.666 3.321 -8.898 1.00 0.00 H new ATOM 0 HD21 LEU A 101 15.805 5.367 -8.043 1.00 0.00 H new ATOM 0 HD22 LEU A 101 14.254 5.814 -8.792 1.00 0.00 H new ATOM 0 HD23 LEU A 101 14.719 6.515 -7.224 1.00 0.00 H new ATOM 1516 N VAL A 102 12.713 2.562 -4.042 1.00 0.00 N ATOM 1517 CA VAL A 102 13.337 2.379 -2.737 1.00 0.00 C ATOM 1518 C VAL A 102 14.710 3.039 -2.687 1.00 0.00 C ATOM 1519 O VAL A 102 15.735 2.383 -2.877 1.00 0.00 O ATOM 1520 CB VAL A 102 13.485 0.886 -2.389 1.00 0.00 C ATOM 1521 CG1 VAL A 102 14.012 0.109 -3.586 1.00 0.00 C ATOM 1522 CG2 VAL A 102 14.395 0.707 -1.184 1.00 0.00 C ATOM 0 H VAL A 102 12.436 1.695 -4.502 1.00 0.00 H new ATOM 0 HA VAL A 102 12.682 2.852 -2.005 1.00 0.00 H new ATOM 0 HB VAL A 102 12.502 0.491 -2.134 1.00 0.00 H new ATOM 0 HG11 VAL A 102 14.110 -0.944 -3.322 1.00 0.00 H new ATOM 0 HG12 VAL A 102 13.318 0.211 -4.420 1.00 0.00 H new ATOM 0 HG13 VAL A 102 14.986 0.503 -3.875 1.00 0.00 H new ATOM 0 HG21 VAL A 102 14.488 -0.354 -0.953 1.00 0.00 H new ATOM 0 HG22 VAL A 102 15.380 1.117 -1.408 1.00 0.00 H new ATOM 0 HG23 VAL A 102 13.971 1.229 -0.327 1.00 0.00 H new ATOM 1532 N LYS A 103 14.725 4.343 -2.430 1.00 0.00 N ATOM 1533 CA LYS A 103 15.972 5.094 -2.353 1.00 0.00 C ATOM 1534 C LYS A 103 15.906 6.147 -1.251 1.00 0.00 C ATOM 1535 O LYS A 103 14.913 6.862 -1.123 1.00 0.00 O ATOM 1536 CB LYS A 103 16.272 5.764 -3.696 1.00 0.00 C ATOM 1537 CG LYS A 103 17.703 6.256 -3.824 1.00 0.00 C ATOM 1538 CD LYS A 103 18.644 5.133 -4.227 1.00 0.00 C ATOM 1539 CE LYS A 103 19.990 5.672 -4.688 1.00 0.00 C ATOM 1540 NZ LYS A 103 20.948 5.813 -3.557 1.00 0.00 N ATOM 0 H LYS A 103 13.886 4.902 -2.271 1.00 0.00 H new ATOM 0 HA LYS A 103 16.774 4.395 -2.116 1.00 0.00 H new ATOM 0 HB2 LYS A 103 16.067 5.056 -4.499 1.00 0.00 H new ATOM 0 HB3 LYS A 103 15.594 6.606 -3.832 1.00 0.00 H new ATOM 0 HG2 LYS A 103 17.749 7.054 -4.565 1.00 0.00 H new ATOM 0 HG3 LYS A 103 18.029 6.682 -2.875 1.00 0.00 H new ATOM 0 HD2 LYS A 103 18.791 4.459 -3.383 1.00 0.00 H new ATOM 0 HD3 LYS A 103 18.192 4.548 -5.028 1.00 0.00 H new ATOM 0 HE2 LYS A 103 20.411 5.004 -5.439 1.00 0.00 H new ATOM 0 HE3 LYS A 103 19.848 6.641 -5.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 21.853 6.183 -3.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 20.558 6.471 -2.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 21.103 4.884 -3.116 1.00 0.00 H new ATOM 1554 N GLU A 104 16.970 6.235 -0.459 1.00 0.00 N ATOM 1555 CA GLU A 104 17.032 7.202 0.631 1.00 0.00 C ATOM 1556 C GLU A 104 17.225 8.617 0.094 1.00 0.00 C ATOM 1557 O GLU A 104 17.699 8.808 -1.026 1.00 0.00 O ATOM 1558 CB GLU A 104 18.170 6.849 1.591 1.00 0.00 C ATOM 1559 CG GLU A 104 17.934 7.325 3.015 1.00 0.00 C ATOM 1560 CD GLU A 104 19.223 7.473 3.801 1.00 0.00 C ATOM 1561 OE1 GLU A 104 20.045 8.338 3.433 1.00 0.00 O ATOM 1562 OE2 GLU A 104 19.408 6.725 4.783 1.00 0.00 O ATOM 0 H GLU A 104 17.800 5.649 -0.551 1.00 0.00 H new ATOM 0 HA GLU A 104 16.086 7.163 1.171 1.00 0.00 H new ATOM 0 HB2 GLU A 104 18.308 5.768 1.596 1.00 0.00 H new ATOM 0 HB3 GLU A 104 19.097 7.286 1.219 1.00 0.00 H new ATOM 0 HG2 GLU A 104 17.414 8.283 2.993 1.00 0.00 H new ATOM 0 HG3 GLU A 104 17.280 6.619 3.527 1.00 0.00 H new