USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 552 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 56 TYR OH : rot 165:sc= 0.0469 USER MOD Set 1.2: A 60 SER OG : rot 115:sc= 1.53 USER MOD Set 2.1: A 35 TYR OH : rot 180:sc= 0.179 USER MOD Set 2.2: A 48 LYS NZ :NH3+ 138:sc= 0.415 (180deg=-0.55) USER MOD Set 3.1: A 9 TYR OH : rot 150:sc= 0 USER MOD Set 3.2: A 58 THR OG1 : rot 147:sc= 1.48 USER MOD Set 4.1: A 8 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 68 TYR OH : rot 180:sc= -0.506 USER MOD Single : A 10 TYR OH : rot -164:sc= 0.0491 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.14) 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 29 HIS : no HD1:sc= -0.0131 X(o=-0.013,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0206) USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= -2.21! C(o=-2.2!,f=-9.7!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -3.48! C(o=-3.5!,f=-5.1!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.0127 K(o=-0.013,f=-1.8) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= -2.7! X(o=-2.7!,f=-2.4) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 2.399 11.063 -5.472 1.00 0.00 N ATOM 60 CA GLY A 7 1.160 11.736 -5.816 1.00 0.00 C ATOM 61 C GLY A 7 -0.064 10.915 -5.458 1.00 0.00 C ATOM 62 O GLY A 7 -0.837 11.293 -4.578 1.00 0.00 O ATOM 0 HA2 GLY A 7 1.115 12.694 -5.299 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.151 11.950 -6.885 1.00 0.00 H new ATOM 66 N SER A 8 -0.240 9.790 -6.143 1.00 0.00 N ATOM 67 CA SER A 8 -1.382 8.916 -5.897 1.00 0.00 C ATOM 68 C SER A 8 -0.949 7.651 -5.162 1.00 0.00 C ATOM 69 O SER A 8 0.228 7.289 -5.167 1.00 0.00 O ATOM 70 CB SER A 8 -2.062 8.546 -7.216 1.00 0.00 C ATOM 71 OG SER A 8 -3.016 9.525 -7.590 1.00 0.00 O ATOM 0 H SER A 8 0.393 9.462 -6.872 1.00 0.00 H new ATOM 0 HA SER A 8 -2.092 9.455 -5.270 1.00 0.00 H new ATOM 0 HB2 SER A 8 -1.312 8.447 -8.000 1.00 0.00 H new ATOM 0 HB3 SER A 8 -2.550 7.577 -7.118 1.00 0.00 H new ATOM 0 HG SER A 8 -3.435 9.266 -8.437 1.00 0.00 H new ATOM 77 N TYR A 9 -1.909 6.984 -4.531 1.00 0.00 N ATOM 78 CA TYR A 9 -1.628 5.760 -3.789 1.00 0.00 C ATOM 79 C TYR A 9 -0.967 4.719 -4.686 1.00 0.00 C ATOM 80 O TYR A 9 0.150 4.274 -4.422 1.00 0.00 O ATOM 81 CB TYR A 9 -2.917 5.193 -3.194 1.00 0.00 C ATOM 82 CG TYR A 9 -3.666 6.175 -2.322 1.00 0.00 C ATOM 83 CD1 TYR A 9 -3.003 7.225 -1.698 1.00 0.00 C ATOM 84 CD2 TYR A 9 -5.036 6.054 -2.122 1.00 0.00 C ATOM 85 CE1 TYR A 9 -3.683 8.125 -0.900 1.00 0.00 C ATOM 86 CE2 TYR A 9 -5.724 6.950 -1.327 1.00 0.00 C ATOM 87 CZ TYR A 9 -5.043 7.984 -0.718 1.00 0.00 C ATOM 88 OH TYR A 9 -5.724 8.878 0.076 1.00 0.00 O ATOM 0 H TYR A 9 -2.888 7.270 -4.518 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.940 6.005 -2.980 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -3.570 4.869 -4.005 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -2.677 4.308 -2.605 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -1.938 7.339 -1.839 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -5.572 5.245 -2.596 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -3.152 8.935 -0.421 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.789 6.842 -1.183 1.00 0.00 H new ATOM 0 HH TYR A 9 -6.645 8.966 -0.246 1.00 0.00 H new ATOM 98 N TYR A 10 -1.665 4.335 -5.749 1.00 0.00 N ATOM 99 CA TYR A 10 -1.148 3.344 -6.686 1.00 0.00 C ATOM 100 C TYR A 10 0.347 3.542 -6.918 1.00 0.00 C ATOM 101 O TYR A 10 1.070 2.593 -7.221 1.00 0.00 O ATOM 102 CB TYR A 10 -1.898 3.430 -8.017 1.00 0.00 C ATOM 103 CG TYR A 10 -3.367 3.091 -7.906 1.00 0.00 C ATOM 104 CD1 TYR A 10 -3.790 1.960 -7.219 1.00 0.00 C ATOM 105 CD2 TYR A 10 -4.333 3.902 -8.489 1.00 0.00 C ATOM 106 CE1 TYR A 10 -5.131 1.646 -7.117 1.00 0.00 C ATOM 107 CE2 TYR A 10 -5.677 3.596 -8.391 1.00 0.00 C ATOM 108 CZ TYR A 10 -6.071 2.467 -7.704 1.00 0.00 C ATOM 109 OH TYR A 10 -7.408 2.158 -7.603 1.00 0.00 O ATOM 0 H TYR A 10 -2.590 4.695 -5.984 1.00 0.00 H new ATOM 0 HA TYR A 10 -1.302 2.356 -6.253 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -1.796 4.438 -8.418 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -1.430 2.754 -8.732 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -3.057 1.315 -6.757 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -4.028 4.787 -9.028 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -5.442 0.762 -6.580 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -6.415 4.237 -8.850 1.00 0.00 H new ATOM 0 HH TYR A 10 -7.913 2.669 -8.269 1.00 0.00 H new ATOM 119 N ASP A 11 0.802 4.781 -6.773 1.00 0.00 N ATOM 120 CA ASP A 11 2.211 5.105 -6.965 1.00 0.00 C ATOM 121 C ASP A 11 3.003 4.868 -5.683 1.00 0.00 C ATOM 122 O ASP A 11 4.058 4.232 -5.702 1.00 0.00 O ATOM 123 CB ASP A 11 2.366 6.560 -7.412 1.00 0.00 C ATOM 124 CG ASP A 11 2.271 6.716 -8.918 1.00 0.00 C ATOM 125 OD1 ASP A 11 1.208 6.383 -9.483 1.00 0.00 O ATOM 126 OD2 ASP A 11 3.260 7.171 -9.530 1.00 0.00 O ATOM 0 H ASP A 11 0.216 5.578 -6.523 1.00 0.00 H new ATOM 0 HA ASP A 11 2.606 4.450 -7.742 1.00 0.00 H new ATOM 0 HB2 ASP A 11 1.595 7.167 -6.937 1.00 0.00 H new ATOM 0 HB3 ASP A 11 3.328 6.942 -7.070 1.00 0.00 H new ATOM 131 N ILE A 12 2.488 5.382 -4.572 1.00 0.00 N ATOM 132 CA ILE A 12 3.147 5.226 -3.281 1.00 0.00 C ATOM 133 C ILE A 12 3.318 3.752 -2.926 1.00 0.00 C ATOM 134 O ILE A 12 4.359 3.343 -2.412 1.00 0.00 O ATOM 135 CB ILE A 12 2.358 5.924 -2.158 1.00 0.00 C ATOM 136 CG1 ILE A 12 2.246 7.424 -2.440 1.00 0.00 C ATOM 137 CG2 ILE A 12 3.025 5.682 -0.812 1.00 0.00 C ATOM 138 CD1 ILE A 12 1.388 8.165 -1.439 1.00 0.00 C ATOM 0 H ILE A 12 1.616 5.910 -4.539 1.00 0.00 H new ATOM 0 HA ILE A 12 4.128 5.693 -3.369 1.00 0.00 H new ATOM 0 HB ILE A 12 1.353 5.503 -2.125 1.00 0.00 H new ATOM 0 HG12 ILE A 12 3.245 7.860 -2.443 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.832 7.568 -3.438 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.455 6.182 -0.029 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.058 4.611 -0.610 1.00 0.00 H new ATOM 0 HG23 ILE A 12 4.040 6.079 -0.832 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.354 9.222 -1.701 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.378 7.755 -1.452 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.813 8.052 -0.442 1.00 0.00 H new ATOM 150 N LEU A 13 2.290 2.959 -3.206 1.00 0.00 N ATOM 151 CA LEU A 13 2.326 1.529 -2.918 1.00 0.00 C ATOM 152 C LEU A 13 3.056 0.770 -4.022 1.00 0.00 C ATOM 153 O LEU A 13 3.879 -0.102 -3.749 1.00 0.00 O ATOM 154 CB LEU A 13 0.905 0.984 -2.763 1.00 0.00 C ATOM 155 CG LEU A 13 0.178 1.365 -1.473 1.00 0.00 C ATOM 156 CD1 LEU A 13 -1.267 0.894 -1.516 1.00 0.00 C ATOM 157 CD2 LEU A 13 0.895 0.782 -0.264 1.00 0.00 C ATOM 0 H LEU A 13 1.421 3.282 -3.632 1.00 0.00 H new ATOM 0 HA LEU A 13 2.868 1.385 -1.983 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.310 1.331 -3.608 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.945 -0.103 -2.826 1.00 0.00 H new ATOM 0 HG LEU A 13 0.182 2.451 -1.384 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.769 1.174 -0.590 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.777 1.360 -2.360 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.293 -0.190 -1.630 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.363 1.064 0.645 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.923 -0.305 -0.346 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.913 1.169 -0.223 1.00 0.00 H new ATOM 169 N GLY A 14 2.749 1.111 -5.270 1.00 0.00 N ATOM 170 CA GLY A 14 3.387 0.454 -6.396 1.00 0.00 C ATOM 171 C GLY A 14 2.505 -0.609 -7.022 1.00 0.00 C ATOM 172 O GLY A 14 2.990 -1.658 -7.447 1.00 0.00 O ATOM 0 H GLY A 14 2.070 1.830 -5.521 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.644 1.199 -7.149 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.321 -0.001 -6.066 1.00 0.00 H new ATOM 176 N VAL A 15 1.205 -0.339 -7.078 1.00 0.00 N ATOM 177 CA VAL A 15 0.253 -1.280 -7.656 1.00 0.00 C ATOM 178 C VAL A 15 -0.593 -0.614 -8.735 1.00 0.00 C ATOM 179 O VAL A 15 -0.837 0.593 -8.711 1.00 0.00 O ATOM 180 CB VAL A 15 -0.679 -1.868 -6.579 1.00 0.00 C ATOM 181 CG1 VAL A 15 0.055 -2.908 -5.747 1.00 0.00 C ATOM 182 CG2 VAL A 15 -1.236 -0.762 -5.695 1.00 0.00 C ATOM 0 H VAL A 15 0.787 0.524 -6.730 1.00 0.00 H new ATOM 0 HA VAL A 15 0.836 -2.086 -8.102 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.515 -2.360 -7.076 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.619 -3.312 -4.992 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.400 -3.714 -6.394 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.911 -2.444 -5.258 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.892 -1.195 -4.940 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.414 -0.239 -5.205 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.801 -0.058 -6.306 1.00 0.00 H new ATOM 192 N PRO A 16 -1.052 -1.417 -9.707 1.00 0.00 N ATOM 193 CA PRO A 16 -1.879 -0.927 -10.814 1.00 0.00 C ATOM 194 C PRO A 16 -3.275 -0.517 -10.358 1.00 0.00 C ATOM 195 O PRO A 16 -3.699 -0.846 -9.250 1.00 0.00 O ATOM 196 CB PRO A 16 -1.956 -2.129 -11.758 1.00 0.00 C ATOM 197 CG PRO A 16 -1.743 -3.314 -10.880 1.00 0.00 C ATOM 198 CD PRO A 16 -0.800 -2.865 -9.799 1.00 0.00 C ATOM 0 HA PRO A 16 -1.457 -0.033 -11.273 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -2.922 -2.177 -12.260 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.195 -2.071 -12.536 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.686 -3.660 -10.456 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.322 -4.147 -11.444 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.003 -3.369 -8.854 1.00 0.00 H new ATOM 0 HD3 PRO A 16 0.238 -3.077 -10.057 1.00 0.00 H new ATOM 206 N LYS A 17 -3.986 0.203 -11.219 1.00 0.00 N ATOM 207 CA LYS A 17 -5.336 0.656 -10.906 1.00 0.00 C ATOM 208 C LYS A 17 -6.294 -0.525 -10.791 1.00 0.00 C ATOM 209 O LYS A 17 -7.272 -0.473 -10.045 1.00 0.00 O ATOM 210 CB LYS A 17 -5.832 1.626 -11.980 1.00 0.00 C ATOM 211 CG LYS A 17 -4.940 2.842 -12.161 1.00 0.00 C ATOM 212 CD LYS A 17 -5.010 3.380 -13.580 1.00 0.00 C ATOM 213 CE LYS A 17 -4.389 4.764 -13.683 1.00 0.00 C ATOM 214 NZ LYS A 17 -5.002 5.566 -14.778 1.00 0.00 N ATOM 0 H LYS A 17 -3.649 0.485 -12.140 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.306 1.171 -9.946 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.907 1.096 -12.930 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.837 1.959 -11.721 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.240 3.621 -11.460 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.910 2.577 -11.922 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.494 2.697 -14.255 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.050 3.422 -13.903 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.512 5.289 -12.736 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.317 4.669 -13.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.552 6.503 -14.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.863 5.078 -15.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.020 5.678 -14.598 1.00 0.00 H new ATOM 228 N SER A 18 -6.006 -1.589 -11.533 1.00 0.00 N ATOM 229 CA SER A 18 -6.844 -2.783 -11.516 1.00 0.00 C ATOM 230 C SER A 18 -6.318 -3.801 -10.509 1.00 0.00 C ATOM 231 O SER A 18 -6.782 -4.939 -10.461 1.00 0.00 O ATOM 232 CB SER A 18 -6.902 -3.411 -12.910 1.00 0.00 C ATOM 233 OG SER A 18 -5.624 -3.867 -13.318 1.00 0.00 O ATOM 0 H SER A 18 -5.199 -1.649 -12.154 1.00 0.00 H new ATOM 0 HA SER A 18 -7.849 -2.487 -11.216 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.605 -4.244 -12.908 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.276 -2.680 -13.626 1.00 0.00 H new ATOM 0 HG SER A 18 -5.689 -4.265 -14.211 1.00 0.00 H new ATOM 239 N ALA A 19 -5.346 -3.381 -9.706 1.00 0.00 N ATOM 240 CA ALA A 19 -4.757 -4.255 -8.698 1.00 0.00 C ATOM 241 C ALA A 19 -5.835 -4.901 -7.835 1.00 0.00 C ATOM 242 O ALA A 19 -6.790 -4.243 -7.420 1.00 0.00 O ATOM 243 CB ALA A 19 -3.780 -3.476 -7.830 1.00 0.00 C ATOM 0 H ALA A 19 -4.950 -2.442 -9.734 1.00 0.00 H new ATOM 0 HA ALA A 19 -4.216 -5.049 -9.212 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.348 -4.141 -7.082 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.985 -3.067 -8.454 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.306 -2.662 -7.331 1.00 0.00 H new ATOM 249 N SER A 20 -5.677 -6.194 -7.567 1.00 0.00 N ATOM 250 CA SER A 20 -6.640 -6.930 -6.757 1.00 0.00 C ATOM 251 C SER A 20 -6.253 -6.888 -5.282 1.00 0.00 C ATOM 252 O SER A 20 -5.105 -6.610 -4.939 1.00 0.00 O ATOM 253 CB SER A 20 -6.732 -8.382 -7.231 1.00 0.00 C ATOM 254 OG SER A 20 -7.918 -8.998 -6.759 1.00 0.00 O ATOM 0 H SER A 20 -4.891 -6.753 -7.899 1.00 0.00 H new ATOM 0 HA SER A 20 -7.614 -6.455 -6.873 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.710 -8.414 -8.320 1.00 0.00 H new ATOM 0 HB3 SER A 20 -5.864 -8.939 -6.878 1.00 0.00 H new ATOM 0 HG SER A 20 -7.954 -9.924 -7.077 1.00 0.00 H new ATOM 260 N GLU A 21 -7.221 -7.166 -4.414 1.00 0.00 N ATOM 261 CA GLU A 21 -6.982 -7.160 -2.976 1.00 0.00 C ATOM 262 C GLU A 21 -5.649 -7.823 -2.643 1.00 0.00 C ATOM 263 O GLU A 21 -4.792 -7.225 -1.991 1.00 0.00 O ATOM 264 CB GLU A 21 -8.118 -7.878 -2.244 1.00 0.00 C ATOM 265 CG GLU A 21 -8.340 -7.380 -0.826 1.00 0.00 C ATOM 266 CD GLU A 21 -9.784 -7.507 -0.382 1.00 0.00 C ATOM 267 OE1 GLU A 21 -10.483 -8.409 -0.889 1.00 0.00 O ATOM 268 OE2 GLU A 21 -10.215 -6.704 0.472 1.00 0.00 O ATOM 0 H GLU A 21 -8.177 -7.398 -4.682 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.945 -6.122 -2.645 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.040 -7.754 -2.812 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.902 -8.946 -2.215 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.703 -7.943 -0.143 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.034 -6.336 -0.760 1.00 0.00 H new ATOM 275 N ARG A 22 -5.482 -9.062 -3.094 1.00 0.00 N ATOM 276 CA ARG A 22 -4.255 -9.807 -2.843 1.00 0.00 C ATOM 277 C ARG A 22 -3.031 -8.996 -3.258 1.00 0.00 C ATOM 278 O ARG A 22 -2.008 -9.005 -2.574 1.00 0.00 O ATOM 279 CB ARG A 22 -4.277 -11.138 -3.597 1.00 0.00 C ATOM 280 CG ARG A 22 -4.462 -10.984 -5.098 1.00 0.00 C ATOM 281 CD ARG A 22 -4.118 -12.268 -5.836 1.00 0.00 C ATOM 282 NE ARG A 22 -2.675 -12.466 -5.946 1.00 0.00 N ATOM 283 CZ ARG A 22 -2.108 -13.247 -6.860 1.00 0.00 C ATOM 284 NH1 ARG A 22 -2.858 -13.898 -7.738 1.00 0.00 N ATOM 285 NH2 ARG A 22 -0.788 -13.376 -6.896 1.00 0.00 N ATOM 0 H ARG A 22 -6.181 -9.571 -3.635 1.00 0.00 H new ATOM 0 HA ARG A 22 -4.193 -10.004 -1.773 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -3.344 -11.669 -3.407 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.083 -11.757 -3.202 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.494 -10.705 -5.312 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -3.831 -10.173 -5.462 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.562 -13.116 -5.314 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.557 -12.242 -6.833 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.070 -11.978 -5.286 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -3.873 -13.800 -7.713 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -2.420 -14.497 -8.438 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -0.208 -12.876 -6.222 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -0.353 -13.975 -7.597 1.00 0.00 H new ATOM 299 N GLN A 23 -3.145 -8.296 -4.382 1.00 0.00 N ATOM 300 CA GLN A 23 -2.047 -7.480 -4.888 1.00 0.00 C ATOM 301 C GLN A 23 -1.781 -6.293 -3.968 1.00 0.00 C ATOM 302 O GLN A 23 -0.640 -6.039 -3.581 1.00 0.00 O ATOM 303 CB GLN A 23 -2.361 -6.985 -6.301 1.00 0.00 C ATOM 304 CG GLN A 23 -2.448 -8.099 -7.331 1.00 0.00 C ATOM 305 CD GLN A 23 -1.104 -8.428 -7.950 1.00 0.00 C ATOM 306 OE1 GLN A 23 -0.250 -9.047 -7.315 1.00 0.00 O ATOM 307 NE2 GLN A 23 -0.909 -8.014 -9.197 1.00 0.00 N ATOM 0 H GLN A 23 -3.986 -8.277 -4.959 1.00 0.00 H new ATOM 0 HA GLN A 23 -1.151 -8.100 -4.918 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -3.306 -6.442 -6.285 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.591 -6.277 -6.608 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -2.855 -8.993 -6.860 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -3.144 -7.808 -8.117 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -1.645 -7.504 -9.686 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -0.024 -8.206 -9.666 1.00 0.00 H new ATOM 316 N ILE A 24 -2.841 -5.571 -3.621 1.00 0.00 N ATOM 317 CA ILE A 24 -2.721 -4.412 -2.745 1.00 0.00 C ATOM 318 C ILE A 24 -2.162 -4.807 -1.383 1.00 0.00 C ATOM 319 O ILE A 24 -1.334 -4.099 -0.809 1.00 0.00 O ATOM 320 CB ILE A 24 -4.080 -3.714 -2.547 1.00 0.00 C ATOM 321 CG1 ILE A 24 -4.548 -3.080 -3.858 1.00 0.00 C ATOM 322 CG2 ILE A 24 -3.980 -2.663 -1.450 1.00 0.00 C ATOM 323 CD1 ILE A 24 -6.054 -3.021 -3.997 1.00 0.00 C ATOM 0 H ILE A 24 -3.792 -5.768 -3.933 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.033 -3.720 -3.230 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.815 -4.460 -2.244 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.145 -2.070 -3.928 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.136 -3.646 -4.693 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.948 -2.178 -1.321 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.686 -3.140 -0.515 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.235 -1.917 -1.727 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -6.314 -2.560 -4.950 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.463 -4.031 -3.959 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.472 -2.430 -3.182 1.00 0.00 H new ATOM 335 N LYS A 25 -2.617 -5.945 -0.870 1.00 0.00 N ATOM 336 CA LYS A 25 -2.161 -6.439 0.424 1.00 0.00 C ATOM 337 C LYS A 25 -0.674 -6.776 0.384 1.00 0.00 C ATOM 338 O LYS A 25 0.105 -6.297 1.209 1.00 0.00 O ATOM 339 CB LYS A 25 -2.964 -7.675 0.833 1.00 0.00 C ATOM 340 CG LYS A 25 -4.276 -7.346 1.525 1.00 0.00 C ATOM 341 CD LYS A 25 -5.100 -8.597 1.780 1.00 0.00 C ATOM 342 CE LYS A 25 -5.352 -9.371 0.495 1.00 0.00 C ATOM 343 NZ LYS A 25 -6.435 -10.379 0.658 1.00 0.00 N ATOM 0 H LYS A 25 -3.302 -6.543 -1.331 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.318 -5.652 1.161 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.171 -8.274 -0.054 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.356 -8.289 1.497 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.074 -6.843 2.471 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.848 -6.651 0.911 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.581 -9.236 2.495 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -6.053 -8.321 2.232 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -5.620 -8.676 -0.301 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -4.434 -9.871 0.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -6.576 -10.885 -0.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -6.169 -11.058 1.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -7.318 -9.900 0.928 1.00 0.00 H new ATOM 357 N LYS A 26 -0.285 -7.602 -0.582 1.00 0.00 N ATOM 358 CA LYS A 26 1.109 -8.002 -0.732 1.00 0.00 C ATOM 359 C LYS A 26 2.003 -6.786 -0.954 1.00 0.00 C ATOM 360 O LYS A 26 3.062 -6.662 -0.339 1.00 0.00 O ATOM 361 CB LYS A 26 1.258 -8.978 -1.901 1.00 0.00 C ATOM 362 CG LYS A 26 1.036 -10.429 -1.514 1.00 0.00 C ATOM 363 CD LYS A 26 2.324 -11.083 -1.041 1.00 0.00 C ATOM 364 CE LYS A 26 2.090 -12.519 -0.598 1.00 0.00 C ATOM 365 NZ LYS A 26 3.211 -13.032 0.237 1.00 0.00 N ATOM 0 H LYS A 26 -0.916 -8.007 -1.273 1.00 0.00 H new ATOM 0 HA LYS A 26 1.420 -8.497 0.188 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.548 -8.707 -2.683 1.00 0.00 H new ATOM 0 HB3 LYS A 26 2.256 -8.873 -2.326 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.287 -10.485 -0.724 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.640 -10.978 -2.368 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.059 -11.065 -1.845 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.742 -10.509 -0.214 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.160 -12.578 -0.033 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.970 -13.155 -1.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.013 -14.013 0.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.095 -13.000 -0.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.309 -12.441 1.087 1.00 0.00 H new ATOM 379 N ALA A 27 1.568 -5.890 -1.834 1.00 0.00 N ATOM 380 CA ALA A 27 2.328 -4.683 -2.134 1.00 0.00 C ATOM 381 C ALA A 27 2.525 -3.834 -0.882 1.00 0.00 C ATOM 382 O ALA A 27 3.641 -3.416 -0.572 1.00 0.00 O ATOM 383 CB ALA A 27 1.629 -3.875 -3.217 1.00 0.00 C ATOM 0 H ALA A 27 0.693 -5.977 -2.351 1.00 0.00 H new ATOM 0 HA ALA A 27 3.311 -4.983 -2.497 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.208 -2.976 -3.431 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.544 -4.476 -4.122 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.633 -3.593 -2.875 1.00 0.00 H new ATOM 389 N PHE A 28 1.434 -3.581 -0.167 1.00 0.00 N ATOM 390 CA PHE A 28 1.487 -2.780 1.051 1.00 0.00 C ATOM 391 C PHE A 28 2.274 -3.499 2.142 1.00 0.00 C ATOM 392 O PHE A 28 3.336 -3.039 2.563 1.00 0.00 O ATOM 393 CB PHE A 28 0.072 -2.472 1.546 1.00 0.00 C ATOM 394 CG PHE A 28 0.042 -1.659 2.808 1.00 0.00 C ATOM 395 CD1 PHE A 28 0.972 -0.654 3.023 1.00 0.00 C ATOM 396 CD2 PHE A 28 -0.914 -1.900 3.781 1.00 0.00 C ATOM 397 CE1 PHE A 28 0.947 0.097 4.183 1.00 0.00 C ATOM 398 CE2 PHE A 28 -0.944 -1.153 4.943 1.00 0.00 C ATOM 399 CZ PHE A 28 -0.012 -0.154 5.145 1.00 0.00 C ATOM 0 H PHE A 28 0.503 -3.919 -0.410 1.00 0.00 H new ATOM 0 HA PHE A 28 1.995 -1.844 0.818 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -0.469 -1.937 0.766 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.457 -3.410 1.715 1.00 0.00 H new ATOM 0 HD1 PHE A 28 1.725 -0.455 2.275 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.644 -2.681 3.630 1.00 0.00 H new ATOM 0 HE1 PHE A 28 1.676 0.879 4.337 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -1.696 -1.350 5.693 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.033 0.430 6.053 1.00 0.00 H new ATOM 409 N HIS A 29 1.746 -4.632 2.595 1.00 0.00 N ATOM 410 CA HIS A 29 2.398 -5.416 3.637 1.00 0.00 C ATOM 411 C HIS A 29 3.912 -5.421 3.446 1.00 0.00 C ATOM 412 O HIS A 29 4.657 -4.921 4.290 1.00 0.00 O ATOM 413 CB HIS A 29 1.868 -6.850 3.634 1.00 0.00 C ATOM 414 CG HIS A 29 0.655 -7.042 4.491 1.00 0.00 C ATOM 415 ND1 HIS A 29 0.334 -8.245 5.083 1.00 0.00 N ATOM 416 CD2 HIS A 29 -0.317 -6.174 4.857 1.00 0.00 C ATOM 417 CE1 HIS A 29 -0.784 -8.110 5.774 1.00 0.00 C ATOM 418 NE2 HIS A 29 -1.199 -6.862 5.653 1.00 0.00 N ATOM 0 H HIS A 29 0.869 -5.027 2.257 1.00 0.00 H new ATOM 0 HA HIS A 29 2.172 -4.955 4.598 1.00 0.00 H new ATOM 0 HB2 HIS A 29 1.629 -7.138 2.610 1.00 0.00 H new ATOM 0 HB3 HIS A 29 2.656 -7.520 3.978 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -0.386 -5.134 4.575 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -1.275 -8.887 6.341 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -2.039 -6.472 6.081 1.00 0.00 H new ATOM 426 N LYS A 30 4.361 -5.989 2.332 1.00 0.00 N ATOM 427 CA LYS A 30 5.786 -6.059 2.029 1.00 0.00 C ATOM 428 C LYS A 30 6.453 -4.703 2.232 1.00 0.00 C ATOM 429 O LYS A 30 7.495 -4.603 2.880 1.00 0.00 O ATOM 430 CB LYS A 30 5.999 -6.533 0.589 1.00 0.00 C ATOM 431 CG LYS A 30 6.033 -8.045 0.446 1.00 0.00 C ATOM 432 CD LYS A 30 5.578 -8.484 -0.936 1.00 0.00 C ATOM 433 CE LYS A 30 6.404 -7.826 -2.030 1.00 0.00 C ATOM 434 NZ LYS A 30 7.826 -8.269 -1.995 1.00 0.00 N ATOM 0 H LYS A 30 3.758 -6.408 1.624 1.00 0.00 H new ATOM 0 HA LYS A 30 6.243 -6.775 2.713 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.201 -6.135 -0.038 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.935 -6.120 0.214 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.045 -8.406 0.629 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.392 -8.498 1.202 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.659 -9.568 -1.020 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.526 -8.232 -1.071 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.973 -8.064 -3.003 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.358 -6.743 -1.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 8.344 -7.837 -2.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.259 -7.975 -1.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.869 -9.305 -2.077 1.00 0.00 H new ATOM 448 N LEU A 31 5.845 -3.660 1.676 1.00 0.00 N ATOM 449 CA LEU A 31 6.379 -2.308 1.798 1.00 0.00 C ATOM 450 C LEU A 31 6.542 -1.917 3.264 1.00 0.00 C ATOM 451 O LEU A 31 7.654 -1.679 3.733 1.00 0.00 O ATOM 452 CB LEU A 31 5.461 -1.310 1.091 1.00 0.00 C ATOM 453 CG LEU A 31 5.582 -1.250 -0.432 1.00 0.00 C ATOM 454 CD1 LEU A 31 4.410 -0.487 -1.031 1.00 0.00 C ATOM 455 CD2 LEU A 31 6.901 -0.608 -0.837 1.00 0.00 C ATOM 0 H LEU A 31 4.982 -3.725 1.136 1.00 0.00 H new ATOM 0 HA LEU A 31 7.361 -2.287 1.324 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.429 -1.553 1.344 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.661 -0.316 1.491 1.00 0.00 H new ATOM 0 HG LEU A 31 5.562 -2.269 -0.819 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.513 -0.455 -2.116 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.478 -0.988 -0.770 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.398 0.529 -0.637 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.970 -0.574 -1.924 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.950 0.405 -0.438 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.729 -1.195 -0.439 1.00 0.00 H new ATOM 467 N ALA A 32 5.425 -1.856 3.982 1.00 0.00 N ATOM 468 CA ALA A 32 5.444 -1.498 5.395 1.00 0.00 C ATOM 469 C ALA A 32 6.684 -2.056 6.086 1.00 0.00 C ATOM 470 O ALA A 32 7.261 -1.411 6.960 1.00 0.00 O ATOM 471 CB ALA A 32 4.183 -2.000 6.083 1.00 0.00 C ATOM 0 H ALA A 32 4.496 -2.050 3.608 1.00 0.00 H new ATOM 0 HA ALA A 32 5.477 -0.411 5.469 1.00 0.00 H new ATOM 0 HB1 ALA A 32 4.210 -1.726 7.138 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.308 -1.550 5.613 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.126 -3.085 5.991 1.00 0.00 H new ATOM 477 N MET A 33 7.086 -3.259 5.688 1.00 0.00 N ATOM 478 CA MET A 33 8.258 -3.903 6.269 1.00 0.00 C ATOM 479 C MET A 33 9.528 -3.129 5.930 1.00 0.00 C ATOM 480 O MET A 33 10.342 -2.835 6.806 1.00 0.00 O ATOM 481 CB MET A 33 8.376 -5.344 5.769 1.00 0.00 C ATOM 482 CG MET A 33 7.134 -6.181 6.031 1.00 0.00 C ATOM 483 SD MET A 33 6.615 -6.134 7.757 1.00 0.00 S ATOM 484 CE MET A 33 4.861 -6.454 7.592 1.00 0.00 C ATOM 0 H MET A 33 6.618 -3.807 4.966 1.00 0.00 H new ATOM 0 HA MET A 33 8.137 -3.911 7.352 1.00 0.00 H new ATOM 0 HB2 MET A 33 8.578 -5.333 4.698 1.00 0.00 H new ATOM 0 HB3 MET A 33 9.232 -5.818 6.250 1.00 0.00 H new ATOM 0 HG2 MET A 33 6.320 -5.823 5.401 1.00 0.00 H new ATOM 0 HG3 MET A 33 7.329 -7.214 5.743 1.00 0.00 H new ATOM 0 HE1 MET A 33 4.397 -6.456 8.578 1.00 0.00 H new ATOM 0 HE2 MET A 33 4.405 -5.677 6.979 1.00 0.00 H new ATOM 0 HE3 MET A 33 4.711 -7.424 7.118 1.00 0.00 H new ATOM 494 N LYS A 34 9.693 -2.803 4.652 1.00 0.00 N ATOM 495 CA LYS A 34 10.863 -2.062 4.196 1.00 0.00 C ATOM 496 C LYS A 34 10.900 -0.668 4.813 1.00 0.00 C ATOM 497 O LYS A 34 11.972 -0.109 5.044 1.00 0.00 O ATOM 498 CB LYS A 34 10.862 -1.956 2.669 1.00 0.00 C ATOM 499 CG LYS A 34 12.039 -1.175 2.113 1.00 0.00 C ATOM 500 CD LYS A 34 11.719 0.306 1.991 1.00 0.00 C ATOM 501 CE LYS A 34 12.800 1.048 1.221 1.00 0.00 C ATOM 502 NZ LYS A 34 14.009 1.291 2.056 1.00 0.00 N ATOM 0 H LYS A 34 9.031 -3.041 3.914 1.00 0.00 H new ATOM 0 HA LYS A 34 11.752 -2.605 4.516 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.869 -2.960 2.244 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.936 -1.480 2.347 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.905 -1.309 2.762 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.310 -1.571 1.134 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.761 0.432 1.487 1.00 0.00 H new ATOM 0 HD3 LYS A 34 11.616 0.740 2.985 1.00 0.00 H new ATOM 0 HE2 LYS A 34 13.078 0.471 0.339 1.00 0.00 H new ATOM 0 HE3 LYS A 34 12.405 2.001 0.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 14.722 1.799 1.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 13.749 1.863 2.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 14.401 0.381 2.372 1.00 0.00 H new ATOM 516 N TYR A 35 9.723 -0.113 5.080 1.00 0.00 N ATOM 517 CA TYR A 35 9.621 1.216 5.670 1.00 0.00 C ATOM 518 C TYR A 35 9.117 1.137 7.108 1.00 0.00 C ATOM 519 O TYR A 35 8.685 2.137 7.683 1.00 0.00 O ATOM 520 CB TYR A 35 8.686 2.096 4.838 1.00 0.00 C ATOM 521 CG TYR A 35 9.219 2.409 3.458 1.00 0.00 C ATOM 522 CD1 TYR A 35 10.261 3.311 3.282 1.00 0.00 C ATOM 523 CD2 TYR A 35 8.679 1.804 2.330 1.00 0.00 C ATOM 524 CE1 TYR A 35 10.750 3.601 2.023 1.00 0.00 C ATOM 525 CE2 TYR A 35 9.163 2.086 1.067 1.00 0.00 C ATOM 526 CZ TYR A 35 10.198 2.985 0.919 1.00 0.00 C ATOM 527 OH TYR A 35 10.682 3.270 -0.337 1.00 0.00 O ATOM 0 H TYR A 35 8.826 -0.563 4.897 1.00 0.00 H new ATOM 0 HA TYR A 35 10.617 1.660 5.677 1.00 0.00 H new ATOM 0 HB2 TYR A 35 7.722 1.597 4.742 1.00 0.00 H new ATOM 0 HB3 TYR A 35 8.510 3.030 5.371 1.00 0.00 H new ATOM 0 HD1 TYR A 35 10.696 3.794 4.144 1.00 0.00 H new ATOM 0 HD2 TYR A 35 7.867 1.101 2.442 1.00 0.00 H new ATOM 0 HE1 TYR A 35 11.560 4.306 1.904 1.00 0.00 H new ATOM 0 HE2 TYR A 35 8.733 1.605 0.201 1.00 0.00 H new ATOM 0 HH TYR A 35 10.185 2.752 -1.004 1.00 0.00 H new ATOM 537 N HIS A 36 9.176 -0.060 7.684 1.00 0.00 N ATOM 538 CA HIS A 36 8.727 -0.271 9.055 1.00 0.00 C ATOM 539 C HIS A 36 9.614 0.484 10.040 1.00 0.00 C ATOM 540 O HIS A 36 10.842 0.468 9.945 1.00 0.00 O ATOM 541 CB HIS A 36 8.728 -1.763 9.390 1.00 0.00 C ATOM 542 CG HIS A 36 7.686 -2.153 10.393 1.00 0.00 C ATOM 543 ND1 HIS A 36 7.795 -1.874 11.739 1.00 0.00 N ATOM 544 CD2 HIS A 36 6.508 -2.802 10.239 1.00 0.00 C ATOM 545 CE1 HIS A 36 6.731 -2.336 12.370 1.00 0.00 C ATOM 546 NE2 HIS A 36 5.934 -2.904 11.482 1.00 0.00 N ATOM 0 H HIS A 36 9.530 -0.898 7.222 1.00 0.00 H new ATOM 0 HA HIS A 36 7.710 0.113 9.141 1.00 0.00 H new ATOM 0 HB2 HIS A 36 8.570 -2.333 8.474 1.00 0.00 H new ATOM 0 HB3 HIS A 36 9.710 -2.040 9.772 1.00 0.00 H new ATOM 0 HD2 HIS A 36 6.096 -3.171 9.311 1.00 0.00 H new ATOM 0 HE1 HIS A 36 6.544 -2.262 13.431 1.00 0.00 H new ATOM 0 HE2 HIS A 36 5.038 -3.346 11.687 1.00 0.00 H new ATOM 554 N PRO A 37 8.981 1.162 11.008 1.00 0.00 N ATOM 555 CA PRO A 37 9.693 1.937 12.029 1.00 0.00 C ATOM 556 C PRO A 37 10.447 1.046 13.011 1.00 0.00 C ATOM 557 O PRO A 37 11.303 1.518 13.760 1.00 0.00 O ATOM 558 CB PRO A 37 8.573 2.695 12.746 1.00 0.00 C ATOM 559 CG PRO A 37 7.356 1.861 12.535 1.00 0.00 C ATOM 560 CD PRO A 37 7.520 1.225 11.182 1.00 0.00 C ATOM 0 HA PRO A 37 10.452 2.586 11.592 1.00 0.00 H new ATOM 0 HB2 PRO A 37 8.792 2.814 13.807 1.00 0.00 H new ATOM 0 HB3 PRO A 37 8.444 3.695 12.333 1.00 0.00 H new ATOM 0 HG2 PRO A 37 7.262 1.104 13.313 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.453 2.471 12.573 1.00 0.00 H new ATOM 0 HD2 PRO A 37 7.068 0.234 11.147 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.048 1.819 10.399 1.00 0.00 H new ATOM 568 N ASP A 38 10.125 -0.242 13.001 1.00 0.00 N ATOM 569 CA ASP A 38 10.773 -1.199 13.890 1.00 0.00 C ATOM 570 C ASP A 38 12.039 -1.762 13.252 1.00 0.00 C ATOM 571 O ASP A 38 13.094 -1.819 13.885 1.00 0.00 O ATOM 572 CB ASP A 38 9.812 -2.338 14.237 1.00 0.00 C ATOM 573 CG ASP A 38 8.697 -1.892 15.162 1.00 0.00 C ATOM 574 OD1 ASP A 38 8.200 -0.760 14.990 1.00 0.00 O ATOM 575 OD2 ASP A 38 8.321 -2.676 16.059 1.00 0.00 O ATOM 0 H ASP A 38 9.419 -0.648 12.387 1.00 0.00 H new ATOM 0 HA ASP A 38 11.050 -0.677 14.806 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.381 -2.738 13.319 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.368 -3.149 14.708 1.00 0.00 H new ATOM 580 N LYS A 39 11.927 -2.179 11.996 1.00 0.00 N ATOM 581 CA LYS A 39 13.062 -2.738 11.271 1.00 0.00 C ATOM 582 C LYS A 39 13.958 -1.631 10.725 1.00 0.00 C ATOM 583 O LYS A 39 15.183 -1.714 10.806 1.00 0.00 O ATOM 584 CB LYS A 39 12.574 -3.625 10.123 1.00 0.00 C ATOM 585 CG LYS A 39 11.383 -4.494 10.490 1.00 0.00 C ATOM 586 CD LYS A 39 11.819 -5.770 11.191 1.00 0.00 C ATOM 587 CE LYS A 39 11.924 -5.572 12.696 1.00 0.00 C ATOM 588 NZ LYS A 39 11.980 -6.870 13.423 1.00 0.00 N ATOM 0 H LYS A 39 11.061 -2.141 11.458 1.00 0.00 H new ATOM 0 HA LYS A 39 13.643 -3.342 11.968 1.00 0.00 H new ATOM 0 HB2 LYS A 39 12.305 -2.994 9.276 1.00 0.00 H new ATOM 0 HB3 LYS A 39 13.393 -4.265 9.796 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.709 -3.934 11.138 1.00 0.00 H new ATOM 0 HG3 LYS A 39 10.824 -4.746 9.589 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.106 -6.566 10.977 1.00 0.00 H new ATOM 0 HD3 LYS A 39 12.783 -6.091 10.797 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.816 -4.989 12.924 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.068 -4.996 13.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.051 -6.693 14.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.117 -7.416 13.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.811 -7.410 13.107 1.00 0.00 H new ATOM 602 N ASN A 40 13.339 -0.594 10.171 1.00 0.00 N ATOM 603 CA ASN A 40 14.081 0.531 9.614 1.00 0.00 C ATOM 604 C ASN A 40 14.646 1.413 10.722 1.00 0.00 C ATOM 605 O ASN A 40 13.900 1.985 11.518 1.00 0.00 O ATOM 606 CB ASN A 40 13.179 1.360 8.697 1.00 0.00 C ATOM 607 CG ASN A 40 13.954 2.043 7.587 1.00 0.00 C ATOM 608 OD1 ASN A 40 15.041 2.576 7.810 1.00 0.00 O ATOM 609 ND2 ASN A 40 13.396 2.030 6.381 1.00 0.00 N ATOM 0 H ASN A 40 12.325 -0.509 10.096 1.00 0.00 H new ATOM 0 HA ASN A 40 14.912 0.133 9.032 1.00 0.00 H new ATOM 0 HB2 ASN A 40 12.417 0.714 8.260 1.00 0.00 H new ATOM 0 HB3 ASN A 40 12.658 2.113 9.289 1.00 0.00 H new ATOM 0 HD21 ASN A 40 13.871 2.474 5.595 1.00 0.00 H new ATOM 0 HD22 ASN A 40 12.493 1.576 6.242 1.00 0.00 H new ATOM 616 N LYS A 41 15.970 1.520 10.769 1.00 0.00 N ATOM 617 CA LYS A 41 16.637 2.334 11.778 1.00 0.00 C ATOM 618 C LYS A 41 16.916 3.737 11.249 1.00 0.00 C ATOM 619 O LYS A 41 17.999 4.285 11.456 1.00 0.00 O ATOM 620 CB LYS A 41 17.947 1.671 12.213 1.00 0.00 C ATOM 621 CG LYS A 41 17.764 0.602 13.275 1.00 0.00 C ATOM 622 CD LYS A 41 17.498 1.212 14.641 1.00 0.00 C ATOM 623 CE LYS A 41 17.649 0.183 15.751 1.00 0.00 C ATOM 624 NZ LYS A 41 17.223 0.723 17.071 1.00 0.00 N ATOM 0 H LYS A 41 16.602 1.053 10.119 1.00 0.00 H new ATOM 0 HA LYS A 41 15.974 2.415 12.639 1.00 0.00 H new ATOM 0 HB2 LYS A 41 18.427 1.226 11.341 1.00 0.00 H new ATOM 0 HB3 LYS A 41 18.623 2.437 12.593 1.00 0.00 H new ATOM 0 HG2 LYS A 41 16.934 -0.049 12.998 1.00 0.00 H new ATOM 0 HG3 LYS A 41 18.656 -0.022 13.322 1.00 0.00 H new ATOM 0 HD2 LYS A 41 18.189 2.038 14.813 1.00 0.00 H new ATOM 0 HD3 LYS A 41 16.491 1.629 14.665 1.00 0.00 H new ATOM 0 HE2 LYS A 41 17.056 -0.699 15.511 1.00 0.00 H new ATOM 0 HE3 LYS A 41 18.689 -0.138 15.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 17.341 -0.009 17.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 17.806 1.550 17.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 16.223 1.006 17.024 1.00 0.00 H new ATOM 638 N SER A 42 15.932 4.313 10.566 1.00 0.00 N ATOM 639 CA SER A 42 16.073 5.652 10.005 1.00 0.00 C ATOM 640 C SER A 42 14.856 6.510 10.334 1.00 0.00 C ATOM 641 O SER A 42 13.746 6.011 10.524 1.00 0.00 O ATOM 642 CB SER A 42 16.262 5.575 8.488 1.00 0.00 C ATOM 643 OG SER A 42 17.614 5.312 8.155 1.00 0.00 O ATOM 0 H SER A 42 15.029 3.874 10.388 1.00 0.00 H new ATOM 0 HA SER A 42 16.953 6.115 10.451 1.00 0.00 H new ATOM 0 HB2 SER A 42 15.624 4.792 8.078 1.00 0.00 H new ATOM 0 HB3 SER A 42 15.948 6.513 8.031 1.00 0.00 H new ATOM 0 HG SER A 42 17.708 5.266 7.181 1.00 0.00 H new ATOM 649 N PRO A 43 15.066 7.832 10.405 1.00 0.00 N ATOM 650 CA PRO A 43 13.999 8.789 10.711 1.00 0.00 C ATOM 651 C PRO A 43 12.987 8.911 9.576 1.00 0.00 C ATOM 652 O PRO A 43 11.779 8.835 9.798 1.00 0.00 O ATOM 653 CB PRO A 43 14.749 10.109 10.903 1.00 0.00 C ATOM 654 CG PRO A 43 16.000 9.953 10.108 1.00 0.00 C ATOM 655 CD PRO A 43 16.363 8.496 10.190 1.00 0.00 C ATOM 0 HA PRO A 43 13.416 8.485 11.580 1.00 0.00 H new ATOM 0 HB2 PRO A 43 14.159 10.955 10.550 1.00 0.00 H new ATOM 0 HB3 PRO A 43 14.969 10.290 11.955 1.00 0.00 H new ATOM 0 HG2 PRO A 43 15.846 10.259 9.073 1.00 0.00 H new ATOM 0 HG3 PRO A 43 16.798 10.577 10.510 1.00 0.00 H new ATOM 0 HD2 PRO A 43 16.845 8.150 9.276 1.00 0.00 H new ATOM 0 HD3 PRO A 43 17.055 8.300 11.009 1.00 0.00 H new ATOM 663 N ASP A 44 13.489 9.102 8.361 1.00 0.00 N ATOM 664 CA ASP A 44 12.628 9.233 7.191 1.00 0.00 C ATOM 665 C ASP A 44 11.681 8.043 7.076 1.00 0.00 C ATOM 666 O ASP A 44 10.501 8.204 6.764 1.00 0.00 O ATOM 667 CB ASP A 44 13.473 9.353 5.921 1.00 0.00 C ATOM 668 CG ASP A 44 14.150 8.048 5.552 1.00 0.00 C ATOM 669 OD1 ASP A 44 14.873 7.492 6.406 1.00 0.00 O ATOM 670 OD2 ASP A 44 13.958 7.582 4.410 1.00 0.00 O ATOM 0 H ASP A 44 14.487 9.170 8.160 1.00 0.00 H new ATOM 0 HA ASP A 44 12.032 10.138 7.309 1.00 0.00 H new ATOM 0 HB2 ASP A 44 12.839 9.676 5.095 1.00 0.00 H new ATOM 0 HB3 ASP A 44 14.230 10.124 6.063 1.00 0.00 H new ATOM 675 N ALA A 45 12.206 6.849 7.330 1.00 0.00 N ATOM 676 CA ALA A 45 11.407 5.632 7.257 1.00 0.00 C ATOM 677 C ALA A 45 10.044 5.830 7.912 1.00 0.00 C ATOM 678 O ALA A 45 9.008 5.571 7.299 1.00 0.00 O ATOM 679 CB ALA A 45 12.146 4.475 7.912 1.00 0.00 C ATOM 0 H ALA A 45 13.181 6.698 7.588 1.00 0.00 H new ATOM 0 HA ALA A 45 11.245 5.396 6.205 1.00 0.00 H new ATOM 0 HB1 ALA A 45 11.537 3.573 7.850 1.00 0.00 H new ATOM 0 HB2 ALA A 45 13.093 4.310 7.398 1.00 0.00 H new ATOM 0 HB3 ALA A 45 12.338 4.712 8.958 1.00 0.00 H new ATOM 685 N GLU A 46 10.053 6.288 9.159 1.00 0.00 N ATOM 686 CA GLU A 46 8.816 6.518 9.897 1.00 0.00 C ATOM 687 C GLU A 46 7.819 7.308 9.053 1.00 0.00 C ATOM 688 O GLU A 46 6.640 6.961 8.980 1.00 0.00 O ATOM 689 CB GLU A 46 9.104 7.268 11.199 1.00 0.00 C ATOM 690 CG GLU A 46 7.867 7.516 12.046 1.00 0.00 C ATOM 691 CD GLU A 46 8.080 8.597 13.088 1.00 0.00 C ATOM 692 OE1 GLU A 46 8.243 9.772 12.699 1.00 0.00 O ATOM 693 OE2 GLU A 46 8.084 8.266 14.292 1.00 0.00 O ATOM 0 H GLU A 46 10.902 6.507 9.680 1.00 0.00 H new ATOM 0 HA GLU A 46 8.379 5.548 10.134 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.826 6.699 11.784 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.569 8.225 10.962 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.038 7.800 11.397 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.580 6.589 12.543 1.00 0.00 H new ATOM 700 N ALA A 47 8.301 8.371 8.419 1.00 0.00 N ATOM 701 CA ALA A 47 7.453 9.210 7.580 1.00 0.00 C ATOM 702 C ALA A 47 6.935 8.433 6.374 1.00 0.00 C ATOM 703 O ALA A 47 5.730 8.384 6.124 1.00 0.00 O ATOM 704 CB ALA A 47 8.217 10.445 7.126 1.00 0.00 C ATOM 0 H ALA A 47 9.274 8.672 8.470 1.00 0.00 H new ATOM 0 HA ALA A 47 6.594 9.525 8.173 1.00 0.00 H new ATOM 0 HB1 ALA A 47 7.572 11.062 6.501 1.00 0.00 H new ATOM 0 HB2 ALA A 47 8.533 11.018 7.998 1.00 0.00 H new ATOM 0 HB3 ALA A 47 9.094 10.141 6.554 1.00 0.00 H new ATOM 710 N LYS A 48 7.852 7.827 5.628 1.00 0.00 N ATOM 711 CA LYS A 48 7.489 7.052 4.447 1.00 0.00 C ATOM 712 C LYS A 48 6.264 6.185 4.722 1.00 0.00 C ATOM 713 O LYS A 48 5.266 6.259 4.005 1.00 0.00 O ATOM 714 CB LYS A 48 8.662 6.172 4.009 1.00 0.00 C ATOM 715 CG LYS A 48 9.743 6.930 3.257 1.00 0.00 C ATOM 716 CD LYS A 48 9.275 7.340 1.871 1.00 0.00 C ATOM 717 CE LYS A 48 9.506 6.232 0.855 1.00 0.00 C ATOM 718 NZ LYS A 48 10.915 6.203 0.375 1.00 0.00 N ATOM 0 H LYS A 48 8.853 7.858 5.820 1.00 0.00 H new ATOM 0 HA LYS A 48 7.247 7.749 3.645 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.103 5.704 4.889 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.286 5.368 3.376 1.00 0.00 H new ATOM 0 HG2 LYS A 48 10.028 7.817 3.823 1.00 0.00 H new ATOM 0 HG3 LYS A 48 10.633 6.307 3.172 1.00 0.00 H new ATOM 0 HD2 LYS A 48 8.215 7.591 1.903 1.00 0.00 H new ATOM 0 HD3 LYS A 48 9.806 8.239 1.558 1.00 0.00 H new ATOM 0 HE2 LYS A 48 9.255 5.271 1.303 1.00 0.00 H new ATOM 0 HE3 LYS A 48 8.836 6.372 0.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 11.242 5.217 0.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 10.970 6.641 -0.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 11.518 6.731 1.038 1.00 0.00 H new ATOM 732 N PHE A 49 6.347 5.364 5.764 1.00 0.00 N ATOM 733 CA PHE A 49 5.245 4.484 6.133 1.00 0.00 C ATOM 734 C PHE A 49 3.945 5.270 6.278 1.00 0.00 C ATOM 735 O PHE A 49 2.876 4.801 5.889 1.00 0.00 O ATOM 736 CB PHE A 49 5.562 3.755 7.441 1.00 0.00 C ATOM 737 CG PHE A 49 4.447 2.871 7.920 1.00 0.00 C ATOM 738 CD1 PHE A 49 3.950 1.861 7.112 1.00 0.00 C ATOM 739 CD2 PHE A 49 3.896 3.049 9.179 1.00 0.00 C ATOM 740 CE1 PHE A 49 2.924 1.046 7.551 1.00 0.00 C ATOM 741 CE2 PHE A 49 2.869 2.237 9.623 1.00 0.00 C ATOM 742 CZ PHE A 49 2.383 1.234 8.808 1.00 0.00 C ATOM 0 H PHE A 49 7.166 5.290 6.367 1.00 0.00 H new ATOM 0 HA PHE A 49 5.118 3.750 5.337 1.00 0.00 H new ATOM 0 HB2 PHE A 49 6.459 3.152 7.303 1.00 0.00 H new ATOM 0 HB3 PHE A 49 5.788 4.491 8.212 1.00 0.00 H new ATOM 0 HD1 PHE A 49 4.369 1.709 6.128 1.00 0.00 H new ATOM 0 HD2 PHE A 49 4.273 3.831 9.821 1.00 0.00 H new ATOM 0 HE1 PHE A 49 2.545 0.262 6.912 1.00 0.00 H new ATOM 0 HE2 PHE A 49 2.447 2.387 10.606 1.00 0.00 H new ATOM 0 HZ PHE A 49 1.581 0.598 9.153 1.00 0.00 H new ATOM 752 N ARG A 50 4.047 6.469 6.842 1.00 0.00 N ATOM 753 CA ARG A 50 2.880 7.321 7.041 1.00 0.00 C ATOM 754 C ARG A 50 2.143 7.550 5.725 1.00 0.00 C ATOM 755 O ARG A 50 0.953 7.861 5.715 1.00 0.00 O ATOM 756 CB ARG A 50 3.299 8.663 7.644 1.00 0.00 C ATOM 757 CG ARG A 50 2.220 9.311 8.497 1.00 0.00 C ATOM 758 CD ARG A 50 2.281 8.825 9.936 1.00 0.00 C ATOM 759 NE ARG A 50 3.208 9.614 10.742 1.00 0.00 N ATOM 760 CZ ARG A 50 3.274 9.545 12.067 1.00 0.00 C ATOM 761 NH1 ARG A 50 2.471 8.725 12.731 1.00 0.00 N ATOM 762 NH2 ARG A 50 4.144 10.295 12.730 1.00 0.00 N ATOM 0 H ARG A 50 4.925 6.872 7.169 1.00 0.00 H new ATOM 0 HA ARG A 50 2.205 6.815 7.732 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.191 8.516 8.252 1.00 0.00 H new ATOM 0 HB3 ARG A 50 3.571 9.345 6.838 1.00 0.00 H new ATOM 0 HG2 ARG A 50 2.337 10.394 8.472 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.239 9.087 8.077 1.00 0.00 H new ATOM 0 HD2 ARG A 50 1.285 8.873 10.377 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.586 7.779 9.952 1.00 0.00 H new ATOM 0 HE ARG A 50 3.840 10.254 10.261 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.801 8.146 12.224 1.00 0.00 H new ATOM 0 HH12 ARG A 50 2.523 8.673 13.748 1.00 0.00 H new ATOM 0 HH21 ARG A 50 4.764 10.926 12.223 1.00 0.00 H new ATOM 0 HH22 ARG A 50 4.193 10.241 13.747 1.00 0.00 H new ATOM 776 N GLU A 51 2.861 7.394 4.616 1.00 0.00 N ATOM 777 CA GLU A 51 2.275 7.586 3.295 1.00 0.00 C ATOM 778 C GLU A 51 1.845 6.252 2.692 1.00 0.00 C ATOM 779 O GLU A 51 0.932 6.197 1.867 1.00 0.00 O ATOM 780 CB GLU A 51 3.272 8.280 2.366 1.00 0.00 C ATOM 781 CG GLU A 51 3.547 9.727 2.740 1.00 0.00 C ATOM 782 CD GLU A 51 4.709 9.870 3.703 1.00 0.00 C ATOM 783 OE1 GLU A 51 5.813 9.385 3.378 1.00 0.00 O ATOM 784 OE2 GLU A 51 4.515 10.469 4.782 1.00 0.00 O ATOM 0 H GLU A 51 3.848 7.136 4.607 1.00 0.00 H new ATOM 0 HA GLU A 51 1.393 8.217 3.405 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.211 7.726 2.376 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.891 8.243 1.345 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.757 10.298 1.836 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.653 10.158 3.189 1.00 0.00 H new ATOM 791 N ILE A 52 2.510 5.179 3.108 1.00 0.00 N ATOM 792 CA ILE A 52 2.197 3.846 2.610 1.00 0.00 C ATOM 793 C ILE A 52 0.862 3.353 3.159 1.00 0.00 C ATOM 794 O ILE A 52 0.050 2.786 2.428 1.00 0.00 O ATOM 795 CB ILE A 52 3.297 2.834 2.981 1.00 0.00 C ATOM 796 CG1 ILE A 52 4.678 3.410 2.663 1.00 0.00 C ATOM 797 CG2 ILE A 52 3.081 1.522 2.241 1.00 0.00 C ATOM 798 CD1 ILE A 52 5.786 2.381 2.705 1.00 0.00 C ATOM 0 H ILE A 52 3.269 5.207 3.789 1.00 0.00 H new ATOM 0 HA ILE A 52 2.135 3.921 1.524 1.00 0.00 H new ATOM 0 HB ILE A 52 3.244 2.638 4.052 1.00 0.00 H new ATOM 0 HG12 ILE A 52 4.654 3.866 1.673 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.904 4.205 3.374 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.866 0.817 2.514 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.110 1.107 2.512 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.111 1.701 1.166 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.736 2.860 2.470 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.838 1.942 3.702 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.583 1.598 1.974 1.00 0.00 H new ATOM 810 N ALA A 53 0.642 3.574 4.451 1.00 0.00 N ATOM 811 CA ALA A 53 -0.596 3.157 5.097 1.00 0.00 C ATOM 812 C ALA A 53 -1.803 3.841 4.466 1.00 0.00 C ATOM 813 O ALA A 53 -2.657 3.186 3.870 1.00 0.00 O ATOM 814 CB ALA A 53 -0.538 3.453 6.589 1.00 0.00 C ATOM 0 H ALA A 53 1.305 4.039 5.071 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.707 2.082 4.955 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -1.469 3.137 7.059 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.296 2.912 7.035 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.399 4.523 6.742 1.00 0.00 H new ATOM 820 N GLU A 54 -1.867 5.162 4.602 1.00 0.00 N ATOM 821 CA GLU A 54 -2.972 5.934 4.046 1.00 0.00 C ATOM 822 C GLU A 54 -3.294 5.477 2.626 1.00 0.00 C ATOM 823 O GLU A 54 -4.457 5.438 2.225 1.00 0.00 O ATOM 824 CB GLU A 54 -2.632 7.426 4.048 1.00 0.00 C ATOM 825 CG GLU A 54 -3.720 8.299 3.443 1.00 0.00 C ATOM 826 CD GLU A 54 -4.878 8.529 4.394 1.00 0.00 C ATOM 827 OE1 GLU A 54 -4.646 8.530 5.622 1.00 0.00 O ATOM 828 OE2 GLU A 54 -6.016 8.708 3.912 1.00 0.00 O ATOM 0 H GLU A 54 -1.167 5.719 5.092 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.849 5.767 4.671 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.449 7.747 5.073 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.705 7.580 3.495 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.293 9.260 3.157 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.091 7.831 2.531 1.00 0.00 H new ATOM 835 N ALA A 55 -2.256 5.132 1.871 1.00 0.00 N ATOM 836 CA ALA A 55 -2.429 4.676 0.498 1.00 0.00 C ATOM 837 C ALA A 55 -3.170 3.345 0.450 1.00 0.00 C ATOM 838 O ALA A 55 -4.009 3.121 -0.423 1.00 0.00 O ATOM 839 CB ALA A 55 -1.078 4.555 -0.191 1.00 0.00 C ATOM 0 H ALA A 55 -1.287 5.160 2.187 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.030 5.415 -0.031 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.222 4.213 -1.216 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.585 5.527 -0.198 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.458 3.838 0.347 1.00 0.00 H new ATOM 845 N TYR A 56 -2.856 2.464 1.394 1.00 0.00 N ATOM 846 CA TYR A 56 -3.491 1.153 1.457 1.00 0.00 C ATOM 847 C TYR A 56 -4.900 1.257 2.033 1.00 0.00 C ATOM 848 O TYR A 56 -5.857 0.739 1.458 1.00 0.00 O ATOM 849 CB TYR A 56 -2.651 0.197 2.306 1.00 0.00 C ATOM 850 CG TYR A 56 -3.374 -1.079 2.675 1.00 0.00 C ATOM 851 CD1 TYR A 56 -4.138 -1.158 3.832 1.00 0.00 C ATOM 852 CD2 TYR A 56 -3.292 -2.205 1.865 1.00 0.00 C ATOM 853 CE1 TYR A 56 -4.799 -2.322 4.173 1.00 0.00 C ATOM 854 CE2 TYR A 56 -3.951 -3.373 2.198 1.00 0.00 C ATOM 855 CZ TYR A 56 -4.703 -3.427 3.353 1.00 0.00 C ATOM 856 OH TYR A 56 -5.361 -4.588 3.689 1.00 0.00 O ATOM 0 H TYR A 56 -2.166 2.634 2.126 1.00 0.00 H new ATOM 0 HA TYR A 56 -3.561 0.762 0.442 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -1.741 -0.055 1.761 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -2.345 0.708 3.219 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -4.217 -0.295 4.476 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -2.703 -2.167 0.960 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -5.388 -2.367 5.077 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -3.878 -4.239 1.557 1.00 0.00 H new ATOM 0 HH TYR A 56 -5.394 -5.182 2.910 1.00 0.00 H new ATOM 866 N GLU A 57 -5.019 1.933 3.171 1.00 0.00 N ATOM 867 CA GLU A 57 -6.311 2.106 3.825 1.00 0.00 C ATOM 868 C GLU A 57 -7.410 2.362 2.799 1.00 0.00 C ATOM 869 O GLU A 57 -8.484 1.761 2.858 1.00 0.00 O ATOM 870 CB GLU A 57 -6.251 3.263 4.824 1.00 0.00 C ATOM 871 CG GLU A 57 -5.277 3.031 5.967 1.00 0.00 C ATOM 872 CD GLU A 57 -5.816 2.070 7.008 1.00 0.00 C ATOM 873 OE1 GLU A 57 -6.997 2.212 7.391 1.00 0.00 O ATOM 874 OE2 GLU A 57 -5.059 1.175 7.440 1.00 0.00 O ATOM 0 H GLU A 57 -4.237 2.370 3.659 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.545 1.186 4.360 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.968 4.173 4.296 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.247 3.429 5.235 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.341 2.640 5.568 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.047 3.984 6.443 1.00 0.00 H new ATOM 881 N THR A 58 -7.135 3.259 1.857 1.00 0.00 N ATOM 882 CA THR A 58 -8.100 3.597 0.818 1.00 0.00 C ATOM 883 C THR A 58 -8.287 2.439 -0.156 1.00 0.00 C ATOM 884 O THR A 58 -9.414 2.086 -0.507 1.00 0.00 O ATOM 885 CB THR A 58 -7.665 4.849 0.033 1.00 0.00 C ATOM 886 OG1 THR A 58 -7.242 5.873 0.939 1.00 0.00 O ATOM 887 CG2 THR A 58 -8.803 5.368 -0.832 1.00 0.00 C ATOM 0 H THR A 58 -6.251 3.765 1.792 1.00 0.00 H new ATOM 0 HA THR A 58 -9.046 3.803 1.319 1.00 0.00 H new ATOM 0 HB THR A 58 -6.834 4.573 -0.616 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.526 6.399 0.526 1.00 0.00 H new ATOM 0 HG21 THR A 58 -8.472 6.252 -1.377 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.102 4.596 -1.541 1.00 0.00 H new ATOM 0 HG23 THR A 58 -9.652 5.628 -0.199 1.00 0.00 H new ATOM 895 N LEU A 59 -7.177 1.852 -0.590 1.00 0.00 N ATOM 896 CA LEU A 59 -7.219 0.733 -1.524 1.00 0.00 C ATOM 897 C LEU A 59 -7.400 -0.588 -0.783 1.00 0.00 C ATOM 898 O LEU A 59 -7.219 -1.663 -1.356 1.00 0.00 O ATOM 899 CB LEU A 59 -5.938 0.691 -2.358 1.00 0.00 C ATOM 900 CG LEU A 59 -5.540 1.999 -3.044 1.00 0.00 C ATOM 901 CD1 LEU A 59 -4.163 1.873 -3.676 1.00 0.00 C ATOM 902 CD2 LEU A 59 -6.575 2.389 -4.089 1.00 0.00 C ATOM 0 H LEU A 59 -6.237 2.133 -0.310 1.00 0.00 H new ATOM 0 HA LEU A 59 -8.072 0.877 -2.187 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.118 0.379 -1.712 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.051 -0.077 -3.123 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.500 2.785 -2.290 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.897 2.813 -4.159 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.429 1.641 -2.905 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.175 1.074 -4.418 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.276 3.322 -4.567 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.647 1.603 -4.841 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.544 2.522 -3.609 1.00 0.00 H new ATOM 914 N SER A 60 -7.762 -0.500 0.493 1.00 0.00 N ATOM 915 CA SER A 60 -7.967 -1.689 1.313 1.00 0.00 C ATOM 916 C SER A 60 -9.448 -2.048 1.388 1.00 0.00 C ATOM 917 O SER A 60 -9.825 -3.209 1.225 1.00 0.00 O ATOM 918 CB SER A 60 -7.413 -1.464 2.721 1.00 0.00 C ATOM 919 OG SER A 60 -7.717 -2.558 3.569 1.00 0.00 O ATOM 0 H SER A 60 -7.919 0.382 0.981 1.00 0.00 H new ATOM 0 HA SER A 60 -7.433 -2.518 0.848 1.00 0.00 H new ATOM 0 HB2 SER A 60 -6.333 -1.326 2.673 1.00 0.00 H new ATOM 0 HB3 SER A 60 -7.832 -0.549 3.138 1.00 0.00 H new ATOM 0 HG SER A 60 -6.887 -3.006 3.836 1.00 0.00 H new ATOM 925 N ASP A 61 -10.282 -1.044 1.636 1.00 0.00 N ATOM 926 CA ASP A 61 -11.722 -1.253 1.733 1.00 0.00 C ATOM 927 C ASP A 61 -12.365 -1.252 0.349 1.00 0.00 C ATOM 928 O ASP A 61 -11.674 -1.181 -0.667 1.00 0.00 O ATOM 929 CB ASP A 61 -12.358 -0.170 2.606 1.00 0.00 C ATOM 930 CG ASP A 61 -13.610 -0.656 3.310 1.00 0.00 C ATOM 931 OD1 ASP A 61 -13.724 -1.878 3.542 1.00 0.00 O ATOM 932 OD2 ASP A 61 -14.474 0.186 3.630 1.00 0.00 O ATOM 0 H ASP A 61 -9.986 -0.078 1.773 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.894 -2.226 2.193 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -11.634 0.166 3.349 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -12.604 0.693 1.988 1.00 0.00 H new ATOM 937 N ALA A 62 -13.691 -1.331 0.318 1.00 0.00 N ATOM 938 CA ALA A 62 -14.427 -1.338 -0.940 1.00 0.00 C ATOM 939 C ALA A 62 -14.826 0.075 -1.350 1.00 0.00 C ATOM 940 O ALA A 62 -14.353 0.596 -2.359 1.00 0.00 O ATOM 941 CB ALA A 62 -15.658 -2.225 -0.826 1.00 0.00 C ATOM 0 H ALA A 62 -14.278 -1.391 1.150 1.00 0.00 H new ATOM 0 HA ALA A 62 -13.773 -1.741 -1.713 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -16.198 -2.221 -1.773 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -15.352 -3.243 -0.587 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -16.307 -1.847 -0.036 1.00 0.00 H new ATOM 947 N ASN A 63 -15.700 0.691 -0.560 1.00 0.00 N ATOM 948 CA ASN A 63 -16.164 2.044 -0.843 1.00 0.00 C ATOM 949 C ASN A 63 -14.992 3.018 -0.912 1.00 0.00 C ATOM 950 O ASN A 63 -14.898 3.828 -1.834 1.00 0.00 O ATOM 951 CB ASN A 63 -17.157 2.499 0.229 1.00 0.00 C ATOM 952 CG ASN A 63 -17.350 4.004 0.237 1.00 0.00 C ATOM 953 OD1 ASN A 63 -17.883 4.578 -0.712 1.00 0.00 O ATOM 954 ND2 ASN A 63 -16.915 4.649 1.313 1.00 0.00 N ATOM 0 H ASN A 63 -16.101 0.275 0.281 1.00 0.00 H new ATOM 0 HA ASN A 63 -16.663 2.035 -1.812 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -18.118 2.013 0.060 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -16.804 2.175 1.208 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -17.017 5.662 1.376 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -16.479 4.132 2.076 1.00 0.00 H new ATOM 961 N ARG A 64 -14.100 2.932 0.070 1.00 0.00 N ATOM 962 CA ARG A 64 -12.934 3.805 0.121 1.00 0.00 C ATOM 963 C ARG A 64 -12.191 3.800 -1.212 1.00 0.00 C ATOM 964 O ARG A 64 -11.837 4.854 -1.741 1.00 0.00 O ATOM 965 CB ARG A 64 -11.991 3.368 1.244 1.00 0.00 C ATOM 966 CG ARG A 64 -12.535 3.641 2.637 1.00 0.00 C ATOM 967 CD ARG A 64 -11.444 3.537 3.691 1.00 0.00 C ATOM 968 NE ARG A 64 -11.747 4.338 4.874 1.00 0.00 N ATOM 969 CZ ARG A 64 -11.690 5.664 4.897 1.00 0.00 C ATOM 970 NH1 ARG A 64 -11.343 6.336 3.808 1.00 0.00 N ATOM 971 NH2 ARG A 64 -11.981 6.323 6.012 1.00 0.00 N ATOM 0 H ARG A 64 -14.163 2.267 0.841 1.00 0.00 H new ATOM 0 HA ARG A 64 -13.280 4.819 0.320 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -11.790 2.301 1.144 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -11.038 3.884 1.128 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -12.978 4.636 2.667 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -13.330 2.931 2.864 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -11.319 2.494 3.982 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -10.496 3.865 3.265 1.00 0.00 H new ATOM 0 HE ARG A 64 -12.017 3.852 5.729 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -11.119 5.834 2.949 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -11.300 7.355 3.829 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -12.249 5.810 6.852 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -11.937 7.342 6.028 1.00 0.00 H new ATOM 985 N ARG A 65 -11.959 2.607 -1.749 1.00 0.00 N ATOM 986 CA ARG A 65 -11.257 2.464 -3.019 1.00 0.00 C ATOM 987 C ARG A 65 -12.141 2.907 -4.181 1.00 0.00 C ATOM 988 O ARG A 65 -11.666 3.517 -5.140 1.00 0.00 O ATOM 989 CB ARG A 65 -10.818 1.013 -3.223 1.00 0.00 C ATOM 990 CG ARG A 65 -10.232 0.742 -4.599 1.00 0.00 C ATOM 991 CD ARG A 65 -10.381 -0.721 -4.989 1.00 0.00 C ATOM 992 NE ARG A 65 -9.456 -1.100 -6.053 1.00 0.00 N ATOM 993 CZ ARG A 65 -9.496 -2.271 -6.680 1.00 0.00 C ATOM 994 NH1 ARG A 65 -10.413 -3.171 -6.351 1.00 0.00 N ATOM 995 NH2 ARG A 65 -8.620 -2.543 -7.638 1.00 0.00 N ATOM 0 H ARG A 65 -12.247 1.725 -1.325 1.00 0.00 H new ATOM 0 HA ARG A 65 -10.374 3.103 -2.992 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -10.078 0.756 -2.465 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -11.675 0.358 -3.067 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -10.730 1.369 -5.338 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -9.177 1.016 -4.607 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -10.206 -1.349 -4.115 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.404 -0.907 -5.315 1.00 0.00 H new ATOM 0 HE ARG A 65 -8.740 -0.429 -6.330 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -11.089 -2.965 -5.616 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -10.442 -4.069 -6.833 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -7.914 -1.853 -7.895 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -8.652 -3.442 -8.118 1.00 0.00 H new ATOM 1009 N LYS A 66 -13.430 2.596 -4.090 1.00 0.00 N ATOM 1010 CA LYS A 66 -14.381 2.962 -5.132 1.00 0.00 C ATOM 1011 C LYS A 66 -14.425 4.475 -5.323 1.00 0.00 C ATOM 1012 O LYS A 66 -14.458 4.966 -6.451 1.00 0.00 O ATOM 1013 CB LYS A 66 -15.777 2.441 -4.783 1.00 0.00 C ATOM 1014 CG LYS A 66 -16.868 2.956 -5.706 1.00 0.00 C ATOM 1015 CD LYS A 66 -18.252 2.667 -5.150 1.00 0.00 C ATOM 1016 CE LYS A 66 -18.742 3.797 -4.258 1.00 0.00 C ATOM 1017 NZ LYS A 66 -20.230 3.855 -4.203 1.00 0.00 N ATOM 0 H LYS A 66 -13.840 2.091 -3.304 1.00 0.00 H new ATOM 0 HA LYS A 66 -14.052 2.505 -6.065 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -15.768 1.352 -4.818 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -16.016 2.725 -3.758 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -16.749 4.030 -5.847 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -16.765 2.492 -6.687 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -18.952 2.522 -5.972 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -18.230 1.737 -4.582 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -18.346 3.663 -3.251 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -18.355 4.746 -4.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -20.524 4.638 -3.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -20.607 4.009 -5.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -20.599 2.959 -3.825 1.00 0.00 H new ATOM 1031 N GLU A 67 -14.423 5.207 -4.213 1.00 0.00 N ATOM 1032 CA GLU A 67 -14.462 6.664 -4.260 1.00 0.00 C ATOM 1033 C GLU A 67 -13.124 7.228 -4.728 1.00 0.00 C ATOM 1034 O GLU A 67 -13.076 8.234 -5.437 1.00 0.00 O ATOM 1035 CB GLU A 67 -14.814 7.231 -2.883 1.00 0.00 C ATOM 1036 CG GLU A 67 -16.112 6.685 -2.313 1.00 0.00 C ATOM 1037 CD GLU A 67 -16.815 7.678 -1.409 1.00 0.00 C ATOM 1038 OE1 GLU A 67 -16.532 7.678 -0.193 1.00 0.00 O ATOM 1039 OE2 GLU A 67 -17.649 8.456 -1.918 1.00 0.00 O ATOM 0 H GLU A 67 -14.395 4.815 -3.272 1.00 0.00 H new ATOM 0 HA GLU A 67 -15.231 6.959 -4.974 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -14.002 7.010 -2.190 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -14.886 8.316 -2.954 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -16.777 6.411 -3.132 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -15.903 5.774 -1.753 1.00 0.00 H new ATOM 1046 N TYR A 68 -12.040 6.575 -4.327 1.00 0.00 N ATOM 1047 CA TYR A 68 -10.700 7.013 -4.702 1.00 0.00 C ATOM 1048 C TYR A 68 -10.477 6.856 -6.203 1.00 0.00 C ATOM 1049 O TYR A 68 -9.643 7.544 -6.793 1.00 0.00 O ATOM 1050 CB TYR A 68 -9.646 6.216 -3.933 1.00 0.00 C ATOM 1051 CG TYR A 68 -8.246 6.376 -4.481 1.00 0.00 C ATOM 1052 CD1 TYR A 68 -7.524 7.543 -4.267 1.00 0.00 C ATOM 1053 CD2 TYR A 68 -7.646 5.360 -5.215 1.00 0.00 C ATOM 1054 CE1 TYR A 68 -6.245 7.695 -4.766 1.00 0.00 C ATOM 1055 CE2 TYR A 68 -6.367 5.502 -5.717 1.00 0.00 C ATOM 1056 CZ TYR A 68 -5.671 6.671 -5.490 1.00 0.00 C ATOM 1057 OH TYR A 68 -4.397 6.817 -5.990 1.00 0.00 O ATOM 0 H TYR A 68 -12.062 5.740 -3.742 1.00 0.00 H new ATOM 0 HA TYR A 68 -10.605 8.068 -4.446 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -9.656 6.529 -2.889 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -9.916 5.160 -3.952 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -7.971 8.346 -3.700 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -8.189 4.444 -5.396 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -5.698 8.610 -4.590 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -5.914 4.702 -6.284 1.00 0.00 H new ATOM 0 HH TYR A 68 -4.141 6.005 -6.475 1.00 0.00 H new ATOM 1067 N ASP A 69 -11.229 5.948 -6.815 1.00 0.00 N ATOM 1068 CA ASP A 69 -11.116 5.701 -8.248 1.00 0.00 C ATOM 1069 C ASP A 69 -12.150 6.512 -9.023 1.00 0.00 C ATOM 1070 O ASP A 69 -11.843 7.105 -10.057 1.00 0.00 O ATOM 1071 CB ASP A 69 -11.290 4.211 -8.546 1.00 0.00 C ATOM 1072 CG ASP A 69 -10.554 3.781 -9.799 1.00 0.00 C ATOM 1073 OD1 ASP A 69 -9.309 3.691 -9.756 1.00 0.00 O ATOM 1074 OD2 ASP A 69 -11.223 3.533 -10.824 1.00 0.00 O ATOM 0 H ASP A 69 -11.924 5.371 -6.341 1.00 0.00 H new ATOM 0 HA ASP A 69 -10.122 6.014 -8.568 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -10.928 3.629 -7.698 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -12.351 3.987 -8.657 1.00 0.00 H new ATOM 1079 N THR A 70 -13.379 6.532 -8.515 1.00 0.00 N ATOM 1080 CA THR A 70 -14.459 7.268 -9.160 1.00 0.00 C ATOM 1081 C THR A 70 -14.233 8.772 -9.066 1.00 0.00 C ATOM 1082 O THR A 70 -14.688 9.534 -9.921 1.00 0.00 O ATOM 1083 CB THR A 70 -15.824 6.925 -8.534 1.00 0.00 C ATOM 1084 OG1 THR A 70 -16.876 7.224 -9.458 1.00 0.00 O ATOM 1085 CG2 THR A 70 -16.039 7.704 -7.244 1.00 0.00 C ATOM 0 H THR A 70 -13.650 6.047 -7.660 1.00 0.00 H new ATOM 0 HA THR A 70 -14.463 6.969 -10.208 1.00 0.00 H new ATOM 0 HB THR A 70 -15.835 5.860 -8.303 1.00 0.00 H new ATOM 0 HG1 THR A 70 -17.740 7.002 -9.053 1.00 0.00 H new ATOM 0 HG21 THR A 70 -17.009 7.445 -6.820 1.00 0.00 H new ATOM 0 HG22 THR A 70 -15.253 7.452 -6.532 1.00 0.00 H new ATOM 0 HG23 THR A 70 -16.009 8.773 -7.455 1.00 0.00 H new ATOM 1093 N LEU A 71 -13.528 9.196 -8.023 1.00 0.00 N ATOM 1094 CA LEU A 71 -13.240 10.611 -7.818 1.00 0.00 C ATOM 1095 C LEU A 71 -11.816 10.945 -8.249 1.00 0.00 C ATOM 1096 O LEU A 71 -11.592 11.880 -9.018 1.00 0.00 O ATOM 1097 CB LEU A 71 -13.440 10.984 -6.348 1.00 0.00 C ATOM 1098 CG LEU A 71 -14.831 10.716 -5.771 1.00 0.00 C ATOM 1099 CD1 LEU A 71 -14.787 10.716 -4.251 1.00 0.00 C ATOM 1100 CD2 LEU A 71 -15.827 11.748 -6.278 1.00 0.00 C ATOM 0 H LEU A 71 -13.145 8.580 -7.306 1.00 0.00 H new ATOM 0 HA LEU A 71 -13.931 11.190 -8.431 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -12.710 10.436 -5.752 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -13.217 12.044 -6.229 1.00 0.00 H new ATOM 0 HG LEU A 71 -15.158 9.731 -6.104 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -15.785 10.524 -3.858 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -14.106 9.938 -3.907 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -14.438 11.686 -3.897 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -16.811 11.541 -5.857 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -15.505 12.744 -5.975 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -15.880 11.699 -7.366 1.00 0.00 H new ATOM 1112 N GLY A 72 -10.855 10.173 -7.751 1.00 0.00 N ATOM 1113 CA GLY A 72 -9.464 10.403 -8.097 1.00 0.00 C ATOM 1114 C GLY A 72 -8.592 10.627 -6.878 1.00 0.00 C ATOM 1115 O GLY A 72 -8.711 9.915 -5.881 1.00 0.00 O ATOM 0 H GLY A 72 -11.015 9.392 -7.114 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -9.086 9.548 -8.658 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -9.395 11.270 -8.753 1.00 0.00 H new ATOM 1119 N HIS A 73 -7.710 11.618 -6.958 1.00 0.00 N ATOM 1120 CA HIS A 73 -6.813 11.934 -5.852 1.00 0.00 C ATOM 1121 C HIS A 73 -6.948 13.397 -5.443 1.00 0.00 C ATOM 1122 O HIS A 73 -6.900 13.728 -4.258 1.00 0.00 O ATOM 1123 CB HIS A 73 -5.365 11.633 -6.241 1.00 0.00 C ATOM 1124 CG HIS A 73 -4.375 11.962 -5.166 1.00 0.00 C ATOM 1125 ND1 HIS A 73 -4.015 11.071 -4.177 1.00 0.00 N ATOM 1126 CD2 HIS A 73 -3.668 13.091 -4.929 1.00 0.00 C ATOM 1127 CE1 HIS A 73 -3.130 11.640 -3.377 1.00 0.00 C ATOM 1128 NE2 HIS A 73 -2.902 12.866 -3.812 1.00 0.00 N ATOM 0 H HIS A 73 -7.597 12.216 -7.777 1.00 0.00 H new ATOM 0 HA HIS A 73 -7.091 11.311 -5.002 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.277 10.576 -6.493 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -5.114 12.197 -7.139 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -3.700 14.000 -5.511 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -2.671 11.180 -2.514 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -2.261 13.536 -3.387 1.00 0.00 H new ATOM 1136 N SER A 74 -7.116 14.270 -6.432 1.00 0.00 N ATOM 1137 CA SER A 74 -7.254 15.699 -6.175 1.00 0.00 C ATOM 1138 C SER A 74 -8.626 16.015 -5.587 1.00 0.00 C ATOM 1139 O SER A 74 -8.831 17.077 -4.999 1.00 0.00 O ATOM 1140 CB SER A 74 -7.044 16.493 -7.465 1.00 0.00 C ATOM 1141 OG SER A 74 -7.092 17.888 -7.220 1.00 0.00 O ATOM 0 H SER A 74 -7.160 14.013 -7.418 1.00 0.00 H new ATOM 0 HA SER A 74 -6.492 15.988 -5.451 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.081 16.231 -7.904 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.810 16.222 -8.191 1.00 0.00 H new ATOM 0 HG SER A 74 -6.953 18.373 -8.060 1.00 0.00 H new ATOM 1147 N ALA A 75 -9.562 15.086 -5.752 1.00 0.00 N ATOM 1148 CA ALA A 75 -10.914 15.264 -5.237 1.00 0.00 C ATOM 1149 C ALA A 75 -11.143 14.413 -3.992 1.00 0.00 C ATOM 1150 O ALA A 75 -11.313 14.938 -2.892 1.00 0.00 O ATOM 1151 CB ALA A 75 -11.937 14.921 -6.309 1.00 0.00 C ATOM 0 H ALA A 75 -9.409 14.203 -6.238 1.00 0.00 H new ATOM 0 HA ALA A 75 -11.035 16.311 -4.957 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -12.942 15.059 -5.910 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -11.795 15.575 -7.170 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -11.808 13.883 -6.617 1.00 0.00 H new ATOM 1157 N PHE A 76 -11.148 13.097 -4.174 1.00 0.00 N ATOM 1158 CA PHE A 76 -11.359 12.173 -3.066 1.00 0.00 C ATOM 1159 C PHE A 76 -10.650 12.663 -1.807 1.00 0.00 C ATOM 1160 O PHE A 76 -11.284 12.920 -0.782 1.00 0.00 O ATOM 1161 CB PHE A 76 -10.857 10.776 -3.436 1.00 0.00 C ATOM 1162 CG PHE A 76 -10.748 9.847 -2.261 1.00 0.00 C ATOM 1163 CD1 PHE A 76 -9.613 9.842 -1.467 1.00 0.00 C ATOM 1164 CD2 PHE A 76 -11.782 8.977 -1.950 1.00 0.00 C ATOM 1165 CE1 PHE A 76 -9.509 8.989 -0.385 1.00 0.00 C ATOM 1166 CE2 PHE A 76 -11.684 8.122 -0.869 1.00 0.00 C ATOM 1167 CZ PHE A 76 -10.546 8.127 -0.086 1.00 0.00 C ATOM 0 H PHE A 76 -11.008 12.646 -5.078 1.00 0.00 H new ATOM 0 HA PHE A 76 -12.429 12.125 -2.864 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -11.532 10.340 -4.173 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -9.880 10.864 -3.911 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -8.799 10.513 -1.697 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -12.674 8.968 -2.559 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -8.618 8.996 0.226 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -12.497 7.450 -0.636 1.00 0.00 H new ATOM 0 HZ PHE A 76 -10.467 7.458 0.758 1.00 0.00 H new