USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 650 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 14 GLN : amide:sc= -3.71! K(o=-7.5!,f=0.09) USER MOD Set 1.2: A 37 TYR OH : rot 165:sc= -3.79! USER MOD Set 2.1: A 8 TYR OH : rot 17:sc= -0.607! USER MOD Set 2.2: A 40 TYR OH : rot 180:sc= 0.0932 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -9.81! C(o=-9.8!,f=-13!) USER MOD Single : A 17 SER OG : rot -103:sc= 0.721 USER MOD Single : A 18 SER OG : rot 98:sc= 0.322 USER MOD Single : A 20 GLN : amide:sc= 0.264 K(o=0.26,f=-4.9!) USER MOD Single : A 23 GLN : amide:sc= -0.813 X(o=-0.81,f=-1.2) USER MOD Single : A 25 THR OG1 : rot 135:sc= 0.297 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot -73:sc= 0.14 USER MOD Single : A 32 HIS : no HE2:sc= -12! C(o=-12!,f=-9.8!) USER MOD Single : A 34 THR OG1 : rot -79:sc= 0.29 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -2.92! K(o=-2.9!,f=-1.7) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 SER OG : rot -163:sc= 1.5 USER MOD Single : A 53 HIS : no HD1:sc= -4.97! K(o=-5!,f=-1.3) USER MOD Single : A 54 ASN : amide:sc= -5.73! C(o=-5.7!,f=-2.5!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -4.14! C(o=-4.1!,f=-6.5!) USER MOD Single : A 60 TYR OH : rot 40:sc= 0.011 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= -0.164 K(o=-0.16,f=-2.6!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 79 N TYR A 6 8.914 2.716 -6.323 1.00 0.00 N ATOM 80 CA TYR A 6 8.455 2.151 -7.620 1.00 0.00 C ATOM 81 C TYR A 6 7.316 2.983 -8.195 1.00 0.00 C ATOM 82 O TYR A 6 6.706 3.784 -7.514 1.00 0.00 O ATOM 83 CB TYR A 6 7.984 0.717 -7.392 1.00 0.00 C ATOM 84 CG TYR A 6 8.890 0.070 -6.377 1.00 0.00 C ATOM 85 CD1 TYR A 6 10.258 -0.052 -6.643 1.00 0.00 C ATOM 86 CD2 TYR A 6 8.367 -0.391 -5.167 1.00 0.00 C ATOM 87 CE1 TYR A 6 11.104 -0.640 -5.697 1.00 0.00 C ATOM 88 CE2 TYR A 6 9.212 -0.979 -4.222 1.00 0.00 C ATOM 89 CZ TYR A 6 10.581 -1.105 -4.485 1.00 0.00 C ATOM 90 OH TYR A 6 11.412 -1.687 -3.551 1.00 0.00 O ATOM 0 HA TYR A 6 9.281 2.166 -8.331 1.00 0.00 H new ATOM 0 HB2 TYR A 6 6.953 0.709 -7.038 1.00 0.00 H new ATOM 0 HB3 TYR A 6 8.004 0.159 -8.328 1.00 0.00 H new ATOM 0 HD1 TYR A 6 10.661 0.308 -7.578 1.00 0.00 H new ATOM 0 HD2 TYR A 6 7.311 -0.293 -4.962 1.00 0.00 H new ATOM 0 HE1 TYR A 6 12.160 -0.735 -5.902 1.00 0.00 H new ATOM 0 HE2 TYR A 6 8.808 -1.337 -3.287 1.00 0.00 H new ATOM 0 HH TYR A 6 10.888 -1.953 -2.767 1.00 0.00 H new ATOM 100 N SER A 7 7.027 2.795 -9.454 1.00 0.00 N ATOM 101 CA SER A 7 5.927 3.567 -10.087 1.00 0.00 C ATOM 102 C SER A 7 4.678 3.445 -9.219 1.00 0.00 C ATOM 103 O SER A 7 4.694 2.820 -8.179 1.00 0.00 O ATOM 104 CB SER A 7 5.646 3.006 -11.481 1.00 0.00 C ATOM 105 OG SER A 7 6.597 3.532 -12.398 1.00 0.00 O ATOM 0 H SER A 7 7.507 2.139 -10.070 1.00 0.00 H new ATOM 0 HA SER A 7 6.211 4.615 -10.177 1.00 0.00 H new ATOM 0 HB2 SER A 7 5.701 1.918 -11.466 1.00 0.00 H new ATOM 0 HB3 SER A 7 4.636 3.269 -11.795 1.00 0.00 H new ATOM 0 HG SER A 7 6.421 3.173 -13.293 1.00 0.00 H new ATOM 111 N TYR A 8 3.597 4.038 -9.627 1.00 0.00 N ATOM 112 CA TYR A 8 2.361 3.954 -8.809 1.00 0.00 C ATOM 113 C TYR A 8 1.502 2.787 -9.298 1.00 0.00 C ATOM 114 O TYR A 8 0.298 2.767 -9.140 1.00 0.00 O ATOM 115 CB TYR A 8 1.618 5.281 -8.917 1.00 0.00 C ATOM 116 CG TYR A 8 2.535 6.361 -8.395 1.00 0.00 C ATOM 117 CD1 TYR A 8 3.271 6.136 -7.224 1.00 0.00 C ATOM 118 CD2 TYR A 8 2.674 7.569 -9.086 1.00 0.00 C ATOM 119 CE1 TYR A 8 4.143 7.118 -6.742 1.00 0.00 C ATOM 120 CE2 TYR A 8 3.544 8.554 -8.602 1.00 0.00 C ATOM 121 CZ TYR A 8 4.279 8.328 -7.432 1.00 0.00 C ATOM 122 OH TYR A 8 5.142 9.297 -6.962 1.00 0.00 O ATOM 0 H TYR A 8 3.515 4.576 -10.489 1.00 0.00 H new ATOM 0 HA TYR A 8 2.602 3.772 -7.762 1.00 0.00 H new ATOM 0 HB2 TYR A 8 1.340 5.481 -9.952 1.00 0.00 H new ATOM 0 HB3 TYR A 8 0.694 5.251 -8.339 1.00 0.00 H new ATOM 0 HD1 TYR A 8 3.165 5.202 -6.692 1.00 0.00 H new ATOM 0 HD2 TYR A 8 2.111 7.742 -9.991 1.00 0.00 H new ATOM 0 HE1 TYR A 8 4.710 6.943 -5.840 1.00 0.00 H new ATOM 0 HE2 TYR A 8 3.648 9.489 -9.132 1.00 0.00 H new ATOM 0 HH TYR A 8 5.769 8.895 -6.325 1.00 0.00 H new ATOM 132 N ALA A 9 2.140 1.801 -9.867 1.00 0.00 N ATOM 133 CA ALA A 9 1.412 0.595 -10.354 1.00 0.00 C ATOM 134 C ALA A 9 2.148 -0.643 -9.833 1.00 0.00 C ATOM 135 O ALA A 9 1.545 -1.610 -9.412 1.00 0.00 O ATOM 136 CB ALA A 9 1.391 0.581 -11.882 1.00 0.00 C ATOM 0 H ALA A 9 3.149 1.780 -10.017 1.00 0.00 H new ATOM 0 HA ALA A 9 0.383 0.604 -9.995 1.00 0.00 H new ATOM 0 HB1 ALA A 9 0.857 -0.303 -12.230 1.00 0.00 H new ATOM 0 HB2 ALA A 9 0.887 1.476 -12.247 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.413 0.560 -12.260 1.00 0.00 H new ATOM 142 N GLN A 10 3.453 -0.591 -9.819 1.00 0.00 N ATOM 143 CA GLN A 10 4.258 -1.724 -9.286 1.00 0.00 C ATOM 144 C GLN A 10 4.350 -1.515 -7.786 1.00 0.00 C ATOM 145 O GLN A 10 4.351 -2.441 -6.999 1.00 0.00 O ATOM 146 CB GLN A 10 5.664 -1.692 -9.890 1.00 0.00 C ATOM 147 CG GLN A 10 6.524 -2.781 -9.247 1.00 0.00 C ATOM 148 CD GLN A 10 8.001 -2.429 -9.418 1.00 0.00 C ATOM 149 OE1 GLN A 10 8.698 -2.191 -8.453 1.00 0.00 O ATOM 150 NE2 GLN A 10 8.512 -2.383 -10.618 1.00 0.00 N ATOM 0 H GLN A 10 4.001 0.199 -10.159 1.00 0.00 H new ATOM 0 HA GLN A 10 3.801 -2.683 -9.532 1.00 0.00 H new ATOM 0 HB2 GLN A 10 5.611 -1.845 -10.968 1.00 0.00 H new ATOM 0 HB3 GLN A 10 6.118 -0.714 -9.729 1.00 0.00 H new ATOM 0 HG2 GLN A 10 6.281 -2.874 -8.188 1.00 0.00 H new ATOM 0 HG3 GLN A 10 6.313 -3.746 -9.708 1.00 0.00 H new ATOM 0 HE21 GLN A 10 7.927 -2.583 -11.429 1.00 0.00 H new ATOM 0 HE22 GLN A 10 9.496 -2.147 -10.744 1.00 0.00 H new ATOM 159 N LEU A 11 4.392 -0.274 -7.398 1.00 0.00 N ATOM 160 CA LEU A 11 4.444 0.075 -5.963 1.00 0.00 C ATOM 161 C LEU A 11 3.167 -0.458 -5.318 1.00 0.00 C ATOM 162 O LEU A 11 3.180 -1.041 -4.251 1.00 0.00 O ATOM 163 CB LEU A 11 4.498 1.597 -5.866 1.00 0.00 C ATOM 164 CG LEU A 11 4.615 2.036 -4.418 1.00 0.00 C ATOM 165 CD1 LEU A 11 6.074 2.348 -4.114 1.00 0.00 C ATOM 166 CD2 LEU A 11 3.783 3.296 -4.218 1.00 0.00 C ATOM 0 H LEU A 11 4.392 0.526 -8.031 1.00 0.00 H new ATOM 0 HA LEU A 11 5.311 -0.352 -5.460 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.348 1.973 -6.436 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.601 2.027 -6.311 1.00 0.00 H new ATOM 0 HG LEU A 11 4.259 1.247 -3.756 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.170 2.665 -3.075 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.679 1.456 -4.279 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.420 3.147 -4.770 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.859 3.621 -3.180 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.153 4.084 -4.874 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.741 3.085 -4.457 1.00 0.00 H new ATOM 178 N ILE A 12 2.067 -0.277 -5.991 1.00 0.00 N ATOM 179 CA ILE A 12 0.762 -0.781 -5.478 1.00 0.00 C ATOM 180 C ILE A 12 0.814 -2.296 -5.393 1.00 0.00 C ATOM 181 O ILE A 12 0.471 -2.880 -4.398 1.00 0.00 O ATOM 182 CB ILE A 12 -0.359 -0.430 -6.456 1.00 0.00 C ATOM 183 CG1 ILE A 12 -0.152 0.947 -7.125 1.00 0.00 C ATOM 184 CG2 ILE A 12 -1.695 -0.450 -5.721 1.00 0.00 C ATOM 185 CD1 ILE A 12 0.650 1.901 -6.228 1.00 0.00 C ATOM 0 H ILE A 12 2.015 0.206 -6.888 1.00 0.00 H new ATOM 0 HA ILE A 12 0.576 -0.330 -4.503 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.349 -1.177 -7.250 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.369 0.816 -8.074 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.121 1.390 -7.352 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.496 -0.200 -6.416 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.869 -1.444 -5.309 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.676 0.280 -4.912 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.774 2.858 -6.734 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.116 2.053 -5.290 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.630 1.470 -6.022 1.00 0.00 H new ATOM 197 N VAL A 13 1.209 -2.932 -6.454 1.00 0.00 N ATOM 198 CA VAL A 13 1.250 -4.417 -6.474 1.00 0.00 C ATOM 199 C VAL A 13 2.002 -4.953 -5.258 1.00 0.00 C ATOM 200 O VAL A 13 1.590 -5.917 -4.647 1.00 0.00 O ATOM 201 CB VAL A 13 1.945 -4.862 -7.755 1.00 0.00 C ATOM 202 CG1 VAL A 13 2.292 -6.349 -7.665 1.00 0.00 C ATOM 203 CG2 VAL A 13 0.996 -4.614 -8.928 1.00 0.00 C ATOM 0 H VAL A 13 1.509 -2.482 -7.319 1.00 0.00 H new ATOM 0 HA VAL A 13 0.234 -4.810 -6.440 1.00 0.00 H new ATOM 0 HB VAL A 13 2.868 -4.300 -7.899 1.00 0.00 H new ATOM 0 HG11 VAL A 13 2.789 -6.663 -8.583 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.956 -6.517 -6.817 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.379 -6.928 -7.530 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.475 -4.926 -9.856 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.080 -5.186 -8.782 1.00 0.00 H new ATOM 0 HG23 VAL A 13 0.756 -3.552 -8.983 1.00 0.00 H new ATOM 213 N GLN A 14 3.090 -4.347 -4.886 1.00 0.00 N ATOM 214 CA GLN A 14 3.825 -4.849 -3.696 1.00 0.00 C ATOM 215 C GLN A 14 3.061 -4.444 -2.435 1.00 0.00 C ATOM 216 O GLN A 14 3.112 -5.107 -1.421 1.00 0.00 O ATOM 217 CB GLN A 14 5.228 -4.245 -3.664 1.00 0.00 C ATOM 218 CG GLN A 14 6.254 -5.359 -3.455 1.00 0.00 C ATOM 219 CD GLN A 14 7.566 -4.747 -2.971 1.00 0.00 C ATOM 220 OE1 GLN A 14 8.359 -5.404 -2.326 1.00 0.00 O ATOM 221 NE2 GLN A 14 7.834 -3.504 -3.260 1.00 0.00 N ATOM 0 H GLN A 14 3.499 -3.535 -5.348 1.00 0.00 H new ATOM 0 HA GLN A 14 3.908 -5.935 -3.745 1.00 0.00 H new ATOM 0 HB2 GLN A 14 5.431 -3.719 -4.597 1.00 0.00 H new ATOM 0 HB3 GLN A 14 5.302 -3.511 -2.861 1.00 0.00 H new ATOM 0 HG2 GLN A 14 5.884 -6.079 -2.725 1.00 0.00 H new ATOM 0 HG3 GLN A 14 6.414 -5.902 -4.386 1.00 0.00 H new ATOM 0 HE21 GLN A 14 7.169 -2.952 -3.801 1.00 0.00 H new ATOM 0 HE22 GLN A 14 8.709 -3.084 -2.945 1.00 0.00 H new ATOM 230 N ALA A 15 2.350 -3.352 -2.499 1.00 0.00 N ATOM 231 CA ALA A 15 1.572 -2.887 -1.317 1.00 0.00 C ATOM 232 C ALA A 15 0.391 -3.826 -1.057 1.00 0.00 C ATOM 233 O ALA A 15 0.015 -4.071 0.072 1.00 0.00 O ATOM 234 CB ALA A 15 1.035 -1.484 -1.598 1.00 0.00 C ATOM 0 H ALA A 15 2.274 -2.758 -3.325 1.00 0.00 H new ATOM 0 HA ALA A 15 2.222 -2.879 -0.442 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.464 -1.134 -0.738 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.868 -0.805 -1.780 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.390 -1.511 -2.476 1.00 0.00 H new ATOM 240 N ILE A 16 -0.209 -4.337 -2.095 1.00 0.00 N ATOM 241 CA ILE A 16 -1.382 -5.239 -1.914 1.00 0.00 C ATOM 242 C ILE A 16 -0.907 -6.680 -1.710 1.00 0.00 C ATOM 243 O ILE A 16 -1.233 -7.319 -0.729 1.00 0.00 O ATOM 244 CB ILE A 16 -2.316 -5.167 -3.141 1.00 0.00 C ATOM 245 CG1 ILE A 16 -1.879 -4.037 -4.099 1.00 0.00 C ATOM 246 CG2 ILE A 16 -3.737 -4.895 -2.655 1.00 0.00 C ATOM 247 CD1 ILE A 16 -3.082 -3.491 -4.880 1.00 0.00 C ATOM 0 H ILE A 16 0.062 -4.169 -3.064 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.936 -4.913 -1.033 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.269 -6.113 -3.681 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.413 -3.232 -3.531 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.128 -4.413 -4.794 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.410 -4.841 -3.511 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -4.055 -5.700 -1.993 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.762 -3.949 -2.114 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -2.751 -2.696 -5.549 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.531 -4.294 -5.465 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.819 -3.095 -4.182 1.00 0.00 H new ATOM 259 N SER A 17 -0.150 -7.200 -2.634 1.00 0.00 N ATOM 260 CA SER A 17 0.338 -8.604 -2.508 1.00 0.00 C ATOM 261 C SER A 17 1.068 -8.796 -1.175 1.00 0.00 C ATOM 262 O SER A 17 0.924 -9.812 -0.523 1.00 0.00 O ATOM 263 CB SER A 17 1.298 -8.911 -3.657 1.00 0.00 C ATOM 264 OG SER A 17 2.320 -7.924 -3.690 1.00 0.00 O ATOM 0 H SER A 17 0.154 -6.712 -3.476 1.00 0.00 H new ATOM 0 HA SER A 17 -0.516 -9.280 -2.545 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.736 -9.901 -3.526 1.00 0.00 H new ATOM 0 HB3 SER A 17 0.758 -8.924 -4.604 1.00 0.00 H new ATOM 0 HG SER A 17 2.137 -7.287 -4.412 1.00 0.00 H new ATOM 270 N SER A 18 1.857 -7.841 -0.766 1.00 0.00 N ATOM 271 CA SER A 18 2.595 -7.991 0.521 1.00 0.00 C ATOM 272 C SER A 18 1.653 -7.713 1.691 1.00 0.00 C ATOM 273 O SER A 18 1.892 -8.132 2.806 1.00 0.00 O ATOM 274 CB SER A 18 3.761 -7.003 0.563 1.00 0.00 C ATOM 275 OG SER A 18 4.654 -7.286 -0.505 1.00 0.00 O ATOM 0 H SER A 18 2.023 -6.967 -1.264 1.00 0.00 H new ATOM 0 HA SER A 18 2.977 -9.009 0.597 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.390 -5.981 0.481 1.00 0.00 H new ATOM 0 HB3 SER A 18 4.282 -7.078 1.518 1.00 0.00 H new ATOM 0 HG SER A 18 4.467 -6.684 -1.256 1.00 0.00 H new ATOM 281 N ALA A 19 0.579 -7.013 1.450 1.00 0.00 N ATOM 282 CA ALA A 19 -0.372 -6.720 2.555 1.00 0.00 C ATOM 283 C ALA A 19 -0.911 -8.039 3.105 1.00 0.00 C ATOM 284 O ALA A 19 -0.405 -9.100 2.796 1.00 0.00 O ATOM 285 CB ALA A 19 -1.530 -5.872 2.023 1.00 0.00 C ATOM 0 H ALA A 19 0.321 -6.633 0.539 1.00 0.00 H new ATOM 0 HA ALA A 19 0.137 -6.171 3.347 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.226 -5.658 2.834 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.141 -4.936 1.622 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.048 -6.417 1.234 1.00 0.00 H new ATOM 291 N GLN A 20 -1.932 -7.990 3.914 1.00 0.00 N ATOM 292 CA GLN A 20 -2.492 -9.253 4.471 1.00 0.00 C ATOM 293 C GLN A 20 -2.616 -10.285 3.347 1.00 0.00 C ATOM 294 O GLN A 20 -1.696 -11.031 3.072 1.00 0.00 O ATOM 295 CB GLN A 20 -3.874 -8.986 5.075 1.00 0.00 C ATOM 296 CG GLN A 20 -4.555 -7.842 4.320 1.00 0.00 C ATOM 297 CD GLN A 20 -6.040 -8.165 4.133 1.00 0.00 C ATOM 298 OE1 GLN A 20 -6.397 -8.973 3.301 1.00 0.00 O ATOM 299 NE2 GLN A 20 -6.925 -7.563 4.880 1.00 0.00 N ATOM 0 H GLN A 20 -2.401 -7.135 4.213 1.00 0.00 H new ATOM 0 HA GLN A 20 -1.830 -9.633 5.249 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.486 -9.886 5.019 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -3.777 -8.731 6.130 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -4.442 -6.909 4.873 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -4.079 -7.698 3.350 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -6.625 -6.884 5.579 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -7.917 -7.772 4.764 1.00 0.00 H new ATOM 308 N ASP A 21 -3.742 -10.328 2.690 1.00 0.00 N ATOM 309 CA ASP A 21 -3.922 -11.305 1.580 1.00 0.00 C ATOM 310 C ASP A 21 -3.481 -10.659 0.265 1.00 0.00 C ATOM 311 O ASP A 21 -2.530 -11.083 -0.361 1.00 0.00 O ATOM 312 CB ASP A 21 -5.397 -11.698 1.484 1.00 0.00 C ATOM 313 CG ASP A 21 -5.699 -12.806 2.494 1.00 0.00 C ATOM 314 OD1 ASP A 21 -4.811 -13.601 2.757 1.00 0.00 O ATOM 315 OD2 ASP A 21 -6.813 -12.841 2.990 1.00 0.00 O ATOM 0 H ASP A 21 -4.546 -9.728 2.874 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.321 -12.194 1.772 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.028 -10.831 1.680 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.628 -12.039 0.475 1.00 0.00 H new ATOM 320 N ARG A 22 -4.170 -9.636 -0.155 1.00 0.00 N ATOM 321 CA ARG A 22 -3.803 -8.954 -1.428 1.00 0.00 C ATOM 322 C ARG A 22 -4.778 -7.799 -1.673 1.00 0.00 C ATOM 323 O ARG A 22 -5.181 -7.537 -2.794 1.00 0.00 O ATOM 324 CB ARG A 22 -3.893 -9.957 -2.582 1.00 0.00 C ATOM 325 CG ARG A 22 -5.134 -10.835 -2.402 1.00 0.00 C ATOM 326 CD ARG A 22 -5.024 -12.070 -3.299 1.00 0.00 C ATOM 327 NE ARG A 22 -5.682 -13.231 -2.634 1.00 0.00 N ATOM 328 CZ ARG A 22 -4.975 -14.270 -2.284 1.00 0.00 C ATOM 329 NH1 ARG A 22 -4.251 -14.231 -1.199 1.00 0.00 N ATOM 330 NH2 ARG A 22 -4.992 -15.348 -3.018 1.00 0.00 N ATOM 0 H ARG A 22 -4.975 -9.241 0.330 1.00 0.00 H new ATOM 0 HA ARG A 22 -2.786 -8.567 -1.364 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -3.944 -9.428 -3.534 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -2.997 -10.577 -2.609 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.229 -11.138 -1.359 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.031 -10.270 -2.653 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -5.495 -11.875 -4.263 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -3.976 -12.297 -3.496 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.686 -13.213 -2.453 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -4.238 -13.388 -0.625 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -3.698 -15.043 -0.925 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -5.558 -15.379 -3.866 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -4.439 -16.160 -2.744 1.00 0.00 H new ATOM 344 N GLN A 23 -5.167 -7.110 -0.629 1.00 0.00 N ATOM 345 CA GLN A 23 -6.125 -5.983 -0.800 1.00 0.00 C ATOM 346 C GLN A 23 -5.810 -4.854 0.189 1.00 0.00 C ATOM 347 O GLN A 23 -5.306 -5.077 1.271 1.00 0.00 O ATOM 348 CB GLN A 23 -7.547 -6.487 -0.541 1.00 0.00 C ATOM 349 CG GLN A 23 -7.591 -7.236 0.794 1.00 0.00 C ATOM 350 CD GLN A 23 -8.511 -8.452 0.672 1.00 0.00 C ATOM 351 OE1 GLN A 23 -8.081 -9.515 0.272 1.00 0.00 O ATOM 352 NE2 GLN A 23 -9.769 -8.339 1.004 1.00 0.00 N ATOM 0 H GLN A 23 -4.862 -7.281 0.329 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.037 -5.600 -1.817 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -8.243 -5.648 -0.522 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.863 -7.146 -1.350 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.588 -7.554 1.077 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -7.950 -6.574 1.582 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -10.130 -7.446 1.340 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -10.391 -9.144 0.927 1.00 0.00 H new ATOM 361 N LEU A 24 -6.131 -3.643 -0.181 1.00 0.00 N ATOM 362 CA LEU A 24 -5.892 -2.477 0.711 1.00 0.00 C ATOM 363 C LEU A 24 -6.774 -1.322 0.249 1.00 0.00 C ATOM 364 O LEU A 24 -7.080 -1.196 -0.917 1.00 0.00 O ATOM 365 CB LEU A 24 -4.429 -2.045 0.629 1.00 0.00 C ATOM 366 CG LEU A 24 -3.871 -2.373 -0.751 1.00 0.00 C ATOM 367 CD1 LEU A 24 -4.720 -1.689 -1.823 1.00 0.00 C ATOM 368 CD2 LEU A 24 -2.429 -1.870 -0.843 1.00 0.00 C ATOM 0 H LEU A 24 -6.556 -3.411 -1.079 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.127 -2.753 1.739 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.345 -0.975 0.821 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.846 -2.553 1.397 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.894 -3.451 -0.908 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.320 -1.924 -2.809 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.748 -2.044 -1.754 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.698 -0.610 -1.671 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.025 -2.102 -1.828 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.409 -0.791 -0.688 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.824 -2.358 -0.079 1.00 0.00 H new ATOM 380 N THR A 25 -7.174 -0.462 1.138 1.00 0.00 N ATOM 381 CA THR A 25 -8.017 0.682 0.709 1.00 0.00 C ATOM 382 C THR A 25 -7.104 1.733 0.086 1.00 0.00 C ATOM 383 O THR A 25 -5.915 1.526 -0.050 1.00 0.00 O ATOM 384 CB THR A 25 -8.749 1.283 1.915 1.00 0.00 C ATOM 385 OG1 THR A 25 -7.972 2.340 2.461 1.00 0.00 O ATOM 386 CG2 THR A 25 -8.962 0.203 2.979 1.00 0.00 C ATOM 0 H THR A 25 -6.956 -0.500 2.134 1.00 0.00 H new ATOM 0 HA THR A 25 -8.762 0.346 -0.012 1.00 0.00 H new ATOM 0 HB THR A 25 -9.717 1.669 1.595 1.00 0.00 H new ATOM 0 HG1 THR A 25 -8.550 3.109 2.647 1.00 0.00 H new ATOM 0 HG21 THR A 25 -9.482 0.633 3.835 1.00 0.00 H new ATOM 0 HG22 THR A 25 -9.559 -0.607 2.561 1.00 0.00 H new ATOM 0 HG23 THR A 25 -7.996 -0.187 3.300 1.00 0.00 H new ATOM 394 N LEU A 26 -7.634 2.856 -0.296 1.00 0.00 N ATOM 395 CA LEU A 26 -6.768 3.898 -0.905 1.00 0.00 C ATOM 396 C LEU A 26 -5.781 4.396 0.148 1.00 0.00 C ATOM 397 O LEU A 26 -4.668 4.775 -0.157 1.00 0.00 O ATOM 398 CB LEU A 26 -7.629 5.058 -1.396 1.00 0.00 C ATOM 399 CG LEU A 26 -8.204 4.704 -2.765 1.00 0.00 C ATOM 400 CD1 LEU A 26 -9.145 5.818 -3.223 1.00 0.00 C ATOM 401 CD2 LEU A 26 -7.061 4.558 -3.772 1.00 0.00 C ATOM 0 H LEU A 26 -8.622 3.097 -0.214 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.223 3.479 -1.751 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -8.435 5.255 -0.689 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.033 5.968 -1.462 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.755 3.766 -2.699 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -9.557 5.567 -4.201 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -9.957 5.927 -2.504 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -8.593 6.755 -3.291 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.469 4.305 -4.751 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.513 5.498 -3.839 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.386 3.767 -3.445 1.00 0.00 H new ATOM 413 N SER A 27 -6.178 4.386 1.390 1.00 0.00 N ATOM 414 CA SER A 27 -5.265 4.848 2.468 1.00 0.00 C ATOM 415 C SER A 27 -4.572 3.636 3.091 1.00 0.00 C ATOM 416 O SER A 27 -4.072 3.694 4.197 1.00 0.00 O ATOM 417 CB SER A 27 -6.071 5.583 3.539 1.00 0.00 C ATOM 418 OG SER A 27 -5.373 6.759 3.926 1.00 0.00 O ATOM 0 H SER A 27 -7.098 4.077 1.704 1.00 0.00 H new ATOM 0 HA SER A 27 -4.518 5.524 2.052 1.00 0.00 H new ATOM 0 HB2 SER A 27 -7.058 5.842 3.155 1.00 0.00 H new ATOM 0 HB3 SER A 27 -6.225 4.936 4.403 1.00 0.00 H new ATOM 0 HG SER A 27 -5.887 7.234 4.612 1.00 0.00 H new ATOM 424 N GLY A 28 -4.523 2.541 2.382 1.00 0.00 N ATOM 425 CA GLY A 28 -3.847 1.331 2.926 1.00 0.00 C ATOM 426 C GLY A 28 -2.463 1.257 2.301 1.00 0.00 C ATOM 427 O GLY A 28 -1.473 1.002 2.955 1.00 0.00 O ATOM 0 H GLY A 28 -4.922 2.433 1.450 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.774 1.389 4.012 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.421 0.434 2.693 1.00 0.00 H new ATOM 431 N ILE A 29 -2.408 1.492 1.025 1.00 0.00 N ATOM 432 CA ILE A 29 -1.122 1.464 0.295 1.00 0.00 C ATOM 433 C ILE A 29 -0.136 2.432 0.946 1.00 0.00 C ATOM 434 O ILE A 29 1.056 2.217 0.951 1.00 0.00 O ATOM 435 CB ILE A 29 -1.402 1.885 -1.145 1.00 0.00 C ATOM 436 CG1 ILE A 29 -0.387 1.266 -2.075 1.00 0.00 C ATOM 437 CG2 ILE A 29 -1.342 3.406 -1.293 1.00 0.00 C ATOM 438 CD1 ILE A 29 -0.711 1.749 -3.473 1.00 0.00 C ATOM 0 H ILE A 29 -3.220 1.707 0.447 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.684 0.466 0.321 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.403 1.540 -1.403 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.624 1.558 -1.791 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.431 0.178 -2.024 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.545 3.679 -2.329 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -2.088 3.864 -0.644 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.350 3.760 -1.012 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.002 1.323 -4.179 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.720 1.435 -3.742 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.649 2.837 -3.506 1.00 0.00 H new ATOM 450 N TYR A 30 -0.633 3.508 1.473 1.00 0.00 N ATOM 451 CA TYR A 30 0.262 4.510 2.108 1.00 0.00 C ATOM 452 C TYR A 30 0.878 3.926 3.375 1.00 0.00 C ATOM 453 O TYR A 30 2.078 3.954 3.559 1.00 0.00 O ATOM 454 CB TYR A 30 -0.555 5.760 2.425 1.00 0.00 C ATOM 455 CG TYR A 30 -1.357 6.118 1.197 1.00 0.00 C ATOM 456 CD1 TYR A 30 -0.821 5.881 -0.074 1.00 0.00 C ATOM 457 CD2 TYR A 30 -2.639 6.662 1.322 1.00 0.00 C ATOM 458 CE1 TYR A 30 -1.561 6.188 -1.219 1.00 0.00 C ATOM 459 CE2 TYR A 30 -3.381 6.967 0.175 1.00 0.00 C ATOM 460 CZ TYR A 30 -2.842 6.731 -1.095 1.00 0.00 C ATOM 461 OH TYR A 30 -3.577 7.032 -2.222 1.00 0.00 O ATOM 0 H TYR A 30 -1.626 3.740 1.493 1.00 0.00 H new ATOM 0 HA TYR A 30 1.075 4.774 1.431 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -1.216 5.578 3.272 1.00 0.00 H new ATOM 0 HB3 TYR A 30 0.102 6.584 2.704 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.169 5.459 -0.170 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -3.056 6.846 2.301 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -1.143 6.006 -2.198 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -4.372 7.386 0.270 1.00 0.00 H new ATOM 0 HH TYR A 30 -3.204 7.829 -2.653 1.00 0.00 H new ATOM 471 N ALA A 31 0.078 3.383 4.243 1.00 0.00 N ATOM 472 CA ALA A 31 0.636 2.788 5.487 1.00 0.00 C ATOM 473 C ALA A 31 1.454 1.543 5.131 1.00 0.00 C ATOM 474 O ALA A 31 2.288 1.098 5.894 1.00 0.00 O ATOM 475 CB ALA A 31 -0.508 2.396 6.424 1.00 0.00 C ATOM 0 H ALA A 31 -0.936 3.324 4.147 1.00 0.00 H new ATOM 0 HA ALA A 31 1.277 3.516 5.984 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -0.099 1.960 7.335 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.092 3.281 6.676 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.150 1.667 5.929 1.00 0.00 H new ATOM 481 N HIS A 32 1.221 0.972 3.977 1.00 0.00 N ATOM 482 CA HIS A 32 1.980 -0.244 3.578 1.00 0.00 C ATOM 483 C HIS A 32 3.379 0.142 3.085 1.00 0.00 C ATOM 484 O HIS A 32 4.377 -0.152 3.709 1.00 0.00 O ATOM 485 CB HIS A 32 1.229 -0.953 2.451 1.00 0.00 C ATOM 486 CG HIS A 32 1.960 -2.213 2.081 1.00 0.00 C ATOM 487 ND1 HIS A 32 1.348 -3.456 2.103 1.00 0.00 N ATOM 488 CD2 HIS A 32 3.252 -2.436 1.678 1.00 0.00 C ATOM 489 CE1 HIS A 32 2.266 -4.363 1.724 1.00 0.00 C ATOM 490 NE2 HIS A 32 3.444 -3.795 1.454 1.00 0.00 N ATOM 0 H HIS A 32 0.536 1.298 3.295 1.00 0.00 H new ATOM 0 HA HIS A 32 2.077 -0.904 4.440 1.00 0.00 H new ATOM 0 HB2 HIS A 32 0.213 -1.188 2.768 1.00 0.00 H new ATOM 0 HB3 HIS A 32 1.149 -0.298 1.584 1.00 0.00 H new ATOM 0 HD1 HIS A 32 0.380 -3.648 2.359 1.00 0.00 H new ATOM 0 HD2 HIS A 32 4.006 -1.672 1.554 1.00 0.00 H new ATOM 0 HE1 HIS A 32 2.074 -5.423 1.647 1.00 0.00 H new ATOM 498 N ILE A 33 3.445 0.780 1.950 1.00 0.00 N ATOM 499 CA ILE A 33 4.758 1.179 1.368 1.00 0.00 C ATOM 500 C ILE A 33 5.544 2.065 2.336 1.00 0.00 C ATOM 501 O ILE A 33 6.752 1.990 2.417 1.00 0.00 O ATOM 502 CB ILE A 33 4.508 1.952 0.076 1.00 0.00 C ATOM 503 CG1 ILE A 33 3.649 3.185 0.371 1.00 0.00 C ATOM 504 CG2 ILE A 33 3.779 1.054 -0.923 1.00 0.00 C ATOM 505 CD1 ILE A 33 4.551 4.413 0.511 1.00 0.00 C ATOM 0 H ILE A 33 2.633 1.046 1.393 1.00 0.00 H new ATOM 0 HA ILE A 33 5.342 0.279 1.174 1.00 0.00 H new ATOM 0 HB ILE A 33 5.463 2.268 -0.345 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.928 3.340 -0.432 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.078 3.033 1.287 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.600 1.606 -1.846 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.390 0.177 -1.137 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.826 0.737 -0.499 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.940 5.291 0.721 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.255 4.256 1.329 1.00 0.00 H new ATOM 0 HD13 ILE A 33 5.102 4.568 -0.417 1.00 0.00 H new ATOM 517 N THR A 34 4.878 2.919 3.053 1.00 0.00 N ATOM 518 CA THR A 34 5.606 3.821 3.991 1.00 0.00 C ATOM 519 C THR A 34 6.421 2.991 4.988 1.00 0.00 C ATOM 520 O THR A 34 7.410 3.450 5.523 1.00 0.00 O ATOM 521 CB THR A 34 4.600 4.687 4.752 1.00 0.00 C ATOM 522 OG1 THR A 34 3.596 3.858 5.320 1.00 0.00 O ATOM 523 CG2 THR A 34 3.960 5.691 3.790 1.00 0.00 C ATOM 0 H THR A 34 3.865 3.035 3.034 1.00 0.00 H new ATOM 0 HA THR A 34 6.281 4.459 3.420 1.00 0.00 H new ATOM 0 HB THR A 34 5.112 5.228 5.548 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.947 3.610 4.629 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.243 6.308 4.332 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.734 6.327 3.360 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.447 5.154 2.992 1.00 0.00 H new ATOM 531 N LYS A 35 6.023 1.775 5.240 1.00 0.00 N ATOM 532 CA LYS A 35 6.789 0.929 6.202 1.00 0.00 C ATOM 533 C LYS A 35 7.928 0.215 5.468 1.00 0.00 C ATOM 534 O LYS A 35 8.973 -0.047 6.030 1.00 0.00 O ATOM 535 CB LYS A 35 5.856 -0.112 6.827 1.00 0.00 C ATOM 536 CG LYS A 35 6.660 -1.025 7.755 1.00 0.00 C ATOM 537 CD LYS A 35 6.527 -2.475 7.288 1.00 0.00 C ATOM 538 CE LYS A 35 6.019 -3.340 8.443 1.00 0.00 C ATOM 539 NZ LYS A 35 7.160 -4.087 9.045 1.00 0.00 N ATOM 0 H LYS A 35 5.204 1.331 4.824 1.00 0.00 H new ATOM 0 HA LYS A 35 7.204 1.563 6.985 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.062 0.384 7.385 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.376 -0.701 6.046 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.709 -0.727 7.756 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.300 -0.928 8.779 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.839 -2.535 6.445 1.00 0.00 H new ATOM 0 HD3 LYS A 35 7.491 -2.845 6.939 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.542 -2.714 9.197 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.263 -4.038 8.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.814 -4.675 9.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.596 -4.695 8.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 7.866 -3.413 9.402 1.00 0.00 H new ATOM 553 N HIS A 36 7.734 -0.108 4.217 1.00 0.00 N ATOM 554 CA HIS A 36 8.804 -0.811 3.451 1.00 0.00 C ATOM 555 C HIS A 36 9.755 0.215 2.825 1.00 0.00 C ATOM 556 O HIS A 36 10.916 0.291 3.175 1.00 0.00 O ATOM 557 CB HIS A 36 8.165 -1.657 2.348 1.00 0.00 C ATOM 558 CG HIS A 36 8.129 -3.098 2.781 1.00 0.00 C ATOM 559 ND1 HIS A 36 9.266 -3.889 2.815 1.00 0.00 N ATOM 560 CD2 HIS A 36 7.099 -3.904 3.200 1.00 0.00 C ATOM 561 CE1 HIS A 36 8.898 -5.110 3.244 1.00 0.00 C ATOM 562 NE2 HIS A 36 7.588 -5.175 3.492 1.00 0.00 N ATOM 0 H HIS A 36 6.881 0.085 3.692 1.00 0.00 H new ATOM 0 HA HIS A 36 9.368 -1.455 4.126 1.00 0.00 H new ATOM 0 HB2 HIS A 36 7.155 -1.303 2.141 1.00 0.00 H new ATOM 0 HB3 HIS A 36 8.733 -1.558 1.423 1.00 0.00 H new ATOM 0 HD2 HIS A 36 6.067 -3.599 3.289 1.00 0.00 H new ATOM 0 HE1 HIS A 36 9.580 -5.937 3.372 1.00 0.00 H new ATOM 0 HE2 HIS A 36 7.059 -5.982 3.824 1.00 0.00 H new ATOM 570 N TYR A 37 9.274 0.999 1.900 1.00 0.00 N ATOM 571 CA TYR A 37 10.153 2.016 1.248 1.00 0.00 C ATOM 572 C TYR A 37 10.290 3.220 2.193 1.00 0.00 C ATOM 573 O TYR A 37 9.305 3.719 2.698 1.00 0.00 O ATOM 574 CB TYR A 37 9.529 2.455 -0.088 1.00 0.00 C ATOM 575 CG TYR A 37 8.706 1.326 -0.660 1.00 0.00 C ATOM 576 CD1 TYR A 37 9.151 0.005 -0.533 1.00 0.00 C ATOM 577 CD2 TYR A 37 7.494 1.598 -1.304 1.00 0.00 C ATOM 578 CE1 TYR A 37 8.385 -1.044 -1.048 1.00 0.00 C ATOM 579 CE2 TYR A 37 6.727 0.547 -1.820 1.00 0.00 C ATOM 580 CZ TYR A 37 7.172 -0.774 -1.692 1.00 0.00 C ATOM 581 OH TYR A 37 6.416 -1.810 -2.199 1.00 0.00 O ATOM 0 H TYR A 37 8.310 0.981 1.566 1.00 0.00 H new ATOM 0 HA TYR A 37 11.138 1.594 1.049 1.00 0.00 H new ATOM 0 HB2 TYR A 37 8.903 3.334 0.063 1.00 0.00 H new ATOM 0 HB3 TYR A 37 10.312 2.739 -0.791 1.00 0.00 H new ATOM 0 HD1 TYR A 37 10.087 -0.204 -0.037 1.00 0.00 H new ATOM 0 HD2 TYR A 37 7.151 2.617 -1.403 1.00 0.00 H new ATOM 0 HE1 TYR A 37 8.729 -2.063 -0.949 1.00 0.00 H new ATOM 0 HE2 TYR A 37 5.791 0.755 -2.317 1.00 0.00 H new ATOM 0 HH TYR A 37 5.511 -1.489 -2.395 1.00 0.00 H new ATOM 591 N PRO A 38 11.515 3.632 2.431 1.00 0.00 N ATOM 592 CA PRO A 38 11.814 4.754 3.344 1.00 0.00 C ATOM 593 C PRO A 38 11.528 6.115 2.698 1.00 0.00 C ATOM 594 O PRO A 38 11.199 7.067 3.376 1.00 0.00 O ATOM 595 CB PRO A 38 13.308 4.592 3.631 1.00 0.00 C ATOM 596 CG PRO A 38 13.894 3.768 2.460 1.00 0.00 C ATOM 597 CD PRO A 38 12.712 3.023 1.813 1.00 0.00 C ATOM 0 HA PRO A 38 11.195 4.731 4.241 1.00 0.00 H new ATOM 0 HB2 PRO A 38 13.796 5.564 3.704 1.00 0.00 H new ATOM 0 HB3 PRO A 38 13.467 4.083 4.581 1.00 0.00 H new ATOM 0 HG2 PRO A 38 14.385 4.418 1.736 1.00 0.00 H new ATOM 0 HG3 PRO A 38 14.646 3.065 2.819 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.708 3.148 0.730 1.00 0.00 H new ATOM 0 HD3 PRO A 38 12.761 1.952 2.010 1.00 0.00 H new ATOM 605 N TYR A 39 11.657 6.228 1.405 1.00 0.00 N ATOM 606 CA TYR A 39 11.397 7.548 0.759 1.00 0.00 C ATOM 607 C TYR A 39 9.958 7.988 1.043 1.00 0.00 C ATOM 608 O TYR A 39 9.712 9.115 1.426 1.00 0.00 O ATOM 609 CB TYR A 39 11.605 7.442 -0.752 1.00 0.00 C ATOM 610 CG TYR A 39 11.574 8.827 -1.352 1.00 0.00 C ATOM 611 CD1 TYR A 39 12.661 9.692 -1.172 1.00 0.00 C ATOM 612 CD2 TYR A 39 10.457 9.250 -2.084 1.00 0.00 C ATOM 613 CE1 TYR A 39 12.631 10.978 -1.724 1.00 0.00 C ATOM 614 CE2 TYR A 39 10.429 10.536 -2.636 1.00 0.00 C ATOM 615 CZ TYR A 39 11.516 11.401 -2.458 1.00 0.00 C ATOM 616 OH TYR A 39 11.487 12.669 -3.002 1.00 0.00 O ATOM 0 H TYR A 39 11.928 5.474 0.773 1.00 0.00 H new ATOM 0 HA TYR A 39 12.091 8.283 1.167 1.00 0.00 H new ATOM 0 HB2 TYR A 39 12.558 6.960 -0.968 1.00 0.00 H new ATOM 0 HB3 TYR A 39 10.826 6.822 -1.196 1.00 0.00 H new ATOM 0 HD1 TYR A 39 13.522 9.367 -0.607 1.00 0.00 H new ATOM 0 HD2 TYR A 39 9.618 8.584 -2.222 1.00 0.00 H new ATOM 0 HE1 TYR A 39 13.469 11.645 -1.584 1.00 0.00 H new ATOM 0 HE2 TYR A 39 9.568 10.862 -3.200 1.00 0.00 H new ATOM 0 HH TYR A 39 10.642 12.800 -3.481 1.00 0.00 H new ATOM 626 N TYR A 40 9.006 7.115 0.860 1.00 0.00 N ATOM 627 CA TYR A 40 7.588 7.499 1.122 1.00 0.00 C ATOM 628 C TYR A 40 7.315 7.438 2.629 1.00 0.00 C ATOM 629 O TYR A 40 7.431 6.397 3.244 1.00 0.00 O ATOM 630 CB TYR A 40 6.649 6.531 0.396 1.00 0.00 C ATOM 631 CG TYR A 40 6.662 6.814 -1.089 1.00 0.00 C ATOM 632 CD1 TYR A 40 6.722 8.135 -1.557 1.00 0.00 C ATOM 633 CD2 TYR A 40 6.612 5.753 -2.001 1.00 0.00 C ATOM 634 CE1 TYR A 40 6.732 8.391 -2.933 1.00 0.00 C ATOM 635 CE2 TYR A 40 6.623 6.011 -3.377 1.00 0.00 C ATOM 636 CZ TYR A 40 6.683 7.329 -3.842 1.00 0.00 C ATOM 637 OH TYR A 40 6.694 7.581 -5.199 1.00 0.00 O ATOM 0 H TYR A 40 9.146 6.156 0.542 1.00 0.00 H new ATOM 0 HA TYR A 40 7.415 8.512 0.758 1.00 0.00 H new ATOM 0 HB2 TYR A 40 6.959 5.503 0.581 1.00 0.00 H new ATOM 0 HB3 TYR A 40 5.636 6.633 0.785 1.00 0.00 H new ATOM 0 HD1 TYR A 40 6.761 8.955 -0.855 1.00 0.00 H new ATOM 0 HD2 TYR A 40 6.565 4.735 -1.643 1.00 0.00 H new ATOM 0 HE1 TYR A 40 6.778 9.408 -3.293 1.00 0.00 H new ATOM 0 HE2 TYR A 40 6.585 5.192 -4.080 1.00 0.00 H new ATOM 0 HH TYR A 40 6.655 6.733 -5.689 1.00 0.00 H new ATOM 647 N ARG A 41 6.953 8.542 3.233 1.00 0.00 N ATOM 648 CA ARG A 41 6.676 8.527 4.698 1.00 0.00 C ATOM 649 C ARG A 41 5.907 9.793 5.090 1.00 0.00 C ATOM 650 O ARG A 41 4.834 9.726 5.655 1.00 0.00 O ATOM 651 CB ARG A 41 7.994 8.467 5.480 1.00 0.00 C ATOM 652 CG ARG A 41 9.135 9.032 4.630 1.00 0.00 C ATOM 653 CD ARG A 41 10.322 9.376 5.532 1.00 0.00 C ATOM 654 NE ARG A 41 11.501 9.710 4.688 1.00 0.00 N ATOM 655 CZ ARG A 41 12.570 10.223 5.232 1.00 0.00 C ATOM 656 NH1 ARG A 41 12.871 9.942 6.471 1.00 0.00 N ATOM 657 NH2 ARG A 41 13.337 11.018 4.537 1.00 0.00 N ATOM 0 H ARG A 41 6.838 9.447 2.777 1.00 0.00 H new ATOM 0 HA ARG A 41 6.077 7.648 4.937 1.00 0.00 H new ATOM 0 HB2 ARG A 41 7.903 9.036 6.405 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.214 7.437 5.759 1.00 0.00 H new ATOM 0 HG2 ARG A 41 9.436 8.304 3.877 1.00 0.00 H new ATOM 0 HG3 ARG A 41 8.800 9.922 4.097 1.00 0.00 H new ATOM 0 HD2 ARG A 41 10.071 10.219 6.177 1.00 0.00 H new ATOM 0 HD3 ARG A 41 10.554 8.534 6.184 1.00 0.00 H new ATOM 0 HE ARG A 41 11.473 9.538 3.683 1.00 0.00 H new ATOM 0 HH11 ARG A 41 12.270 9.321 7.014 1.00 0.00 H new ATOM 0 HH12 ARG A 41 13.707 10.343 6.896 1.00 0.00 H new ATOM 0 HH21 ARG A 41 13.100 11.238 3.569 1.00 0.00 H new ATOM 0 HH22 ARG A 41 14.173 11.420 4.961 1.00 0.00 H new ATOM 671 N THR A 42 6.445 10.946 4.798 1.00 0.00 N ATOM 672 CA THR A 42 5.742 12.211 5.159 1.00 0.00 C ATOM 673 C THR A 42 6.247 13.348 4.269 1.00 0.00 C ATOM 674 O THR A 42 6.245 14.500 4.657 1.00 0.00 O ATOM 675 CB THR A 42 6.022 12.548 6.626 1.00 0.00 C ATOM 676 OG1 THR A 42 7.423 12.503 6.861 1.00 0.00 O ATOM 677 CG2 THR A 42 5.318 11.536 7.531 1.00 0.00 C ATOM 0 H THR A 42 7.341 11.067 4.325 1.00 0.00 H new ATOM 0 HA THR A 42 4.669 12.085 5.013 1.00 0.00 H new ATOM 0 HB THR A 42 5.647 13.548 6.846 1.00 0.00 H new ATOM 0 HG1 THR A 42 7.604 12.720 7.799 1.00 0.00 H new ATOM 0 HG21 THR A 42 5.520 11.779 8.574 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.244 11.573 7.351 1.00 0.00 H new ATOM 0 HG23 THR A 42 5.688 10.534 7.314 1.00 0.00 H new ATOM 685 N ALA A 43 6.679 13.036 3.077 1.00 0.00 N ATOM 686 CA ALA A 43 7.184 14.101 2.165 1.00 0.00 C ATOM 687 C ALA A 43 6.024 14.998 1.730 1.00 0.00 C ATOM 688 O ALA A 43 5.808 16.060 2.281 1.00 0.00 O ATOM 689 CB ALA A 43 7.816 13.456 0.928 1.00 0.00 C ATOM 0 H ALA A 43 6.704 12.090 2.696 1.00 0.00 H new ATOM 0 HA ALA A 43 7.930 14.699 2.688 1.00 0.00 H new ATOM 0 HB1 ALA A 43 8.186 14.234 0.260 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.644 12.817 1.234 1.00 0.00 H new ATOM 0 HB3 ALA A 43 7.068 12.857 0.408 1.00 0.00 H new ATOM 695 N ASP A 44 5.277 14.583 0.744 1.00 0.00 N ATOM 696 CA ASP A 44 4.135 15.415 0.272 1.00 0.00 C ATOM 697 C ASP A 44 3.005 14.509 -0.221 1.00 0.00 C ATOM 698 O ASP A 44 3.140 13.303 -0.270 1.00 0.00 O ATOM 699 CB ASP A 44 4.599 16.309 -0.879 1.00 0.00 C ATOM 700 CG ASP A 44 5.932 16.964 -0.511 1.00 0.00 C ATOM 701 OD1 ASP A 44 5.932 17.809 0.369 1.00 0.00 O ATOM 702 OD2 ASP A 44 6.931 16.611 -1.117 1.00 0.00 O ATOM 0 H ASP A 44 5.408 13.703 0.245 1.00 0.00 H new ATOM 0 HA ASP A 44 3.775 16.031 1.096 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.710 15.720 -1.789 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.850 17.074 -1.084 1.00 0.00 H new ATOM 707 N LYS A 45 1.893 15.083 -0.590 1.00 0.00 N ATOM 708 CA LYS A 45 0.757 14.259 -1.085 1.00 0.00 C ATOM 709 C LYS A 45 0.872 14.095 -2.603 1.00 0.00 C ATOM 710 O LYS A 45 -0.115 13.981 -3.302 1.00 0.00 O ATOM 711 CB LYS A 45 -0.564 14.953 -0.747 1.00 0.00 C ATOM 712 CG LYS A 45 -0.578 15.327 0.737 1.00 0.00 C ATOM 713 CD LYS A 45 -2.021 15.518 1.205 1.00 0.00 C ATOM 714 CE LYS A 45 -2.169 16.890 1.863 1.00 0.00 C ATOM 715 NZ LYS A 45 -2.728 16.726 3.235 1.00 0.00 N ATOM 0 H LYS A 45 1.723 16.089 -0.570 1.00 0.00 H new ATOM 0 HA LYS A 45 0.784 13.279 -0.608 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.685 15.847 -1.359 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -1.402 14.294 -0.975 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.095 14.545 1.324 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.009 16.243 0.897 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.703 15.434 0.359 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.292 14.733 1.912 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.201 17.389 1.911 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.825 17.523 1.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.829 17.659 3.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -3.660 16.267 3.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.086 16.137 3.803 1.00 0.00 H new ATOM 729 N GLY A 46 2.073 14.081 -3.117 1.00 0.00 N ATOM 730 CA GLY A 46 2.252 13.925 -4.588 1.00 0.00 C ATOM 731 C GLY A 46 1.641 12.596 -5.038 1.00 0.00 C ATOM 732 O GLY A 46 0.542 12.550 -5.553 1.00 0.00 O ATOM 0 H GLY A 46 2.936 14.171 -2.582 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.775 14.753 -5.113 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.312 13.955 -4.841 1.00 0.00 H new ATOM 736 N TRP A 47 2.348 11.517 -4.854 1.00 0.00 N ATOM 737 CA TRP A 47 1.813 10.194 -5.280 1.00 0.00 C ATOM 738 C TRP A 47 0.500 9.896 -4.560 1.00 0.00 C ATOM 739 O TRP A 47 -0.228 9.005 -4.938 1.00 0.00 O ATOM 740 CB TRP A 47 2.826 9.096 -4.957 1.00 0.00 C ATOM 741 CG TRP A 47 2.987 8.942 -3.475 1.00 0.00 C ATOM 742 CD1 TRP A 47 3.454 9.897 -2.634 1.00 0.00 C ATOM 743 CD2 TRP A 47 2.713 7.772 -2.649 1.00 0.00 C ATOM 744 NE1 TRP A 47 3.495 9.385 -1.353 1.00 0.00 N ATOM 745 CE2 TRP A 47 3.049 8.080 -1.308 1.00 0.00 C ATOM 746 CE3 TRP A 47 2.213 6.484 -2.927 1.00 0.00 C ATOM 747 CZ2 TRP A 47 2.902 7.148 -0.284 1.00 0.00 C ATOM 748 CZ3 TRP A 47 2.064 5.544 -1.894 1.00 0.00 C ATOM 749 CH2 TRP A 47 2.411 5.876 -0.578 1.00 0.00 C ATOM 0 H TRP A 47 3.274 11.494 -4.427 1.00 0.00 H new ATOM 0 HA TRP A 47 1.633 10.222 -6.355 1.00 0.00 H new ATOM 0 HB2 TRP A 47 2.498 8.152 -5.392 1.00 0.00 H new ATOM 0 HB3 TRP A 47 3.788 9.338 -5.409 1.00 0.00 H new ATOM 0 HD1 TRP A 47 3.747 10.897 -2.920 1.00 0.00 H new ATOM 0 HE1 TRP A 47 3.816 9.908 -0.538 1.00 0.00 H new ATOM 0 HE3 TRP A 47 1.943 6.219 -3.939 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 3.166 7.408 0.730 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 1.680 4.559 -2.116 1.00 0.00 H new ATOM 0 HH2 TRP A 47 2.298 5.146 0.210 1.00 0.00 H new ATOM 760 N GLN A 48 0.183 10.625 -3.531 1.00 0.00 N ATOM 761 CA GLN A 48 -1.094 10.356 -2.817 1.00 0.00 C ATOM 762 C GLN A 48 -2.228 10.253 -3.846 1.00 0.00 C ATOM 763 O GLN A 48 -2.973 9.294 -3.871 1.00 0.00 O ATOM 764 CB GLN A 48 -1.381 11.495 -1.837 1.00 0.00 C ATOM 765 CG GLN A 48 -1.934 10.920 -0.531 1.00 0.00 C ATOM 766 CD GLN A 48 -0.885 10.013 0.123 1.00 0.00 C ATOM 767 OE1 GLN A 48 -1.183 9.313 1.072 1.00 0.00 O ATOM 768 NE2 GLN A 48 0.337 9.990 -0.341 1.00 0.00 N ATOM 0 H GLN A 48 0.745 11.388 -3.155 1.00 0.00 H new ATOM 0 HA GLN A 48 -1.020 9.421 -2.262 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -0.469 12.058 -1.641 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -2.098 12.191 -2.272 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -2.203 11.729 0.148 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -2.845 10.354 -0.729 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.592 10.575 -1.137 1.00 0.00 H new ATOM 0 HE22 GLN A 48 1.036 9.387 0.093 1.00 0.00 H new ATOM 777 N ASN A 49 -2.357 11.235 -4.700 1.00 0.00 N ATOM 778 CA ASN A 49 -3.433 11.202 -5.736 1.00 0.00 C ATOM 779 C ASN A 49 -3.091 10.165 -6.810 1.00 0.00 C ATOM 780 O ASN A 49 -3.954 9.686 -7.519 1.00 0.00 O ATOM 781 CB ASN A 49 -3.551 12.584 -6.384 1.00 0.00 C ATOM 782 CG ASN A 49 -4.248 13.544 -5.416 1.00 0.00 C ATOM 783 OD1 ASN A 49 -5.458 13.547 -5.314 1.00 0.00 O ATOM 784 ND2 ASN A 49 -3.530 14.364 -4.700 1.00 0.00 N ATOM 0 H ASN A 49 -1.761 12.062 -4.725 1.00 0.00 H new ATOM 0 HA ASN A 49 -4.378 10.932 -5.266 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -2.562 12.963 -6.640 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.116 12.514 -7.314 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -3.985 15.009 -4.053 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -2.514 14.361 -4.786 1.00 0.00 H new ATOM 791 N SER A 50 -1.841 9.822 -6.942 1.00 0.00 N ATOM 792 CA SER A 50 -1.446 8.825 -7.977 1.00 0.00 C ATOM 793 C SER A 50 -2.037 7.454 -7.640 1.00 0.00 C ATOM 794 O SER A 50 -2.665 6.827 -8.459 1.00 0.00 O ATOM 795 CB SER A 50 0.078 8.718 -8.025 1.00 0.00 C ATOM 796 OG SER A 50 0.591 9.664 -8.957 1.00 0.00 O ATOM 0 H SER A 50 -1.074 10.189 -6.378 1.00 0.00 H new ATOM 0 HA SER A 50 -1.825 9.151 -8.946 1.00 0.00 H new ATOM 0 HB2 SER A 50 0.497 8.902 -7.036 1.00 0.00 H new ATOM 0 HB3 SER A 50 0.374 7.709 -8.314 1.00 0.00 H new ATOM 0 HG SER A 50 1.511 9.423 -9.195 1.00 0.00 H new ATOM 802 N ILE A 51 -1.828 6.982 -6.446 1.00 0.00 N ATOM 803 CA ILE A 51 -2.362 5.645 -6.056 1.00 0.00 C ATOM 804 C ILE A 51 -3.882 5.608 -6.250 1.00 0.00 C ATOM 805 O ILE A 51 -4.449 4.596 -6.608 1.00 0.00 O ATOM 806 CB ILE A 51 -1.975 5.387 -4.585 1.00 0.00 C ATOM 807 CG1 ILE A 51 -0.724 4.517 -4.565 1.00 0.00 C ATOM 808 CG2 ILE A 51 -3.093 4.662 -3.813 1.00 0.00 C ATOM 809 CD1 ILE A 51 0.340 5.113 -5.491 1.00 0.00 C ATOM 0 H ILE A 51 -1.306 7.467 -5.716 1.00 0.00 H new ATOM 0 HA ILE A 51 -1.937 4.862 -6.684 1.00 0.00 H new ATOM 0 HB ILE A 51 -1.803 6.349 -4.102 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.336 4.446 -3.549 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.970 3.504 -4.884 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -2.778 4.501 -2.782 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -3.997 5.271 -3.825 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -3.296 3.701 -4.285 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.231 4.486 -5.472 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.048 5.161 -6.508 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.595 6.117 -5.153 1.00 0.00 H new ATOM 821 N ARG A 52 -4.543 6.697 -5.999 1.00 0.00 N ATOM 822 CA ARG A 52 -6.027 6.726 -6.148 1.00 0.00 C ATOM 823 C ARG A 52 -6.432 6.529 -7.613 1.00 0.00 C ATOM 824 O ARG A 52 -7.175 5.628 -7.949 1.00 0.00 O ATOM 825 CB ARG A 52 -6.554 8.079 -5.669 1.00 0.00 C ATOM 826 CG ARG A 52 -7.689 7.861 -4.668 1.00 0.00 C ATOM 827 CD ARG A 52 -8.130 9.208 -4.092 1.00 0.00 C ATOM 828 NE ARG A 52 -9.421 9.613 -4.714 1.00 0.00 N ATOM 829 CZ ARG A 52 -10.467 9.835 -3.965 1.00 0.00 C ATOM 830 NH1 ARG A 52 -11.036 8.847 -3.330 1.00 0.00 N ATOM 831 NH2 ARG A 52 -10.943 11.045 -3.852 1.00 0.00 N ATOM 0 H ARG A 52 -4.122 7.575 -5.695 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.450 5.917 -5.552 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -5.750 8.650 -5.204 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -6.911 8.663 -6.517 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -8.530 7.370 -5.158 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -7.358 7.201 -3.866 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -8.242 9.134 -3.010 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -7.369 9.964 -4.283 1.00 0.00 H new ATOM 0 HE ARG A 52 -9.488 9.717 -5.726 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -10.663 7.902 -3.419 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -11.853 9.020 -2.745 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -10.498 11.817 -4.349 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -11.760 11.219 -3.267 1.00 0.00 H new ATOM 845 N HIS A 53 -5.974 7.387 -8.478 1.00 0.00 N ATOM 846 CA HIS A 53 -6.352 7.293 -9.920 1.00 0.00 C ATOM 847 C HIS A 53 -5.624 6.136 -10.620 1.00 0.00 C ATOM 848 O HIS A 53 -5.997 5.726 -11.700 1.00 0.00 O ATOM 849 CB HIS A 53 -5.968 8.610 -10.596 1.00 0.00 C ATOM 850 CG HIS A 53 -6.715 8.755 -11.895 1.00 0.00 C ATOM 851 ND1 HIS A 53 -7.636 9.769 -12.107 1.00 0.00 N ATOM 852 CD2 HIS A 53 -6.683 8.029 -13.059 1.00 0.00 C ATOM 853 CE1 HIS A 53 -8.115 9.627 -13.357 1.00 0.00 C ATOM 854 NE2 HIS A 53 -7.568 8.580 -13.981 1.00 0.00 N ATOM 0 H HIS A 53 -5.347 8.158 -8.249 1.00 0.00 H new ATOM 0 HA HIS A 53 -7.423 7.106 -9.994 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -6.199 9.448 -9.938 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -4.894 8.635 -10.779 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -6.064 7.161 -13.233 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -8.852 10.280 -13.801 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -7.758 8.255 -14.929 1.00 0.00 H new ATOM 862 N ASN A 54 -4.581 5.624 -10.033 1.00 0.00 N ATOM 863 CA ASN A 54 -3.823 4.516 -10.684 1.00 0.00 C ATOM 864 C ASN A 54 -4.608 3.203 -10.627 1.00 0.00 C ATOM 865 O ASN A 54 -4.580 2.418 -11.554 1.00 0.00 O ATOM 866 CB ASN A 54 -2.477 4.341 -9.980 1.00 0.00 C ATOM 867 CG ASN A 54 -1.394 5.069 -10.781 1.00 0.00 C ATOM 868 OD1 ASN A 54 -1.178 4.770 -11.939 1.00 0.00 O ATOM 869 ND2 ASN A 54 -0.703 6.018 -10.214 1.00 0.00 N ATOM 0 H ASN A 54 -4.218 5.924 -9.128 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.665 4.773 -11.731 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -2.528 4.740 -8.967 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -2.233 3.282 -9.893 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.018 6.509 -10.742 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.884 6.270 -9.242 1.00 0.00 H new ATOM 876 N LEU A 55 -5.288 2.942 -9.547 1.00 0.00 N ATOM 877 CA LEU A 55 -6.045 1.662 -9.443 1.00 0.00 C ATOM 878 C LEU A 55 -7.238 1.667 -10.399 1.00 0.00 C ATOM 879 O LEU A 55 -7.887 0.659 -10.595 1.00 0.00 O ATOM 880 CB LEU A 55 -6.548 1.485 -8.015 1.00 0.00 C ATOM 881 CG LEU A 55 -5.392 1.677 -7.041 1.00 0.00 C ATOM 882 CD1 LEU A 55 -5.929 1.628 -5.611 1.00 0.00 C ATOM 883 CD2 LEU A 55 -4.373 0.555 -7.247 1.00 0.00 C ATOM 0 H LEU A 55 -5.353 3.555 -8.735 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.381 0.840 -9.709 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.338 2.206 -7.805 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.981 0.492 -7.891 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.913 2.640 -7.216 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.107 1.765 -4.909 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.662 2.422 -5.470 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.402 0.662 -5.433 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.543 0.686 -6.553 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.850 -0.408 -7.064 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.999 0.586 -8.270 1.00 0.00 H new ATOM 895 N SER A 56 -7.538 2.782 -10.998 1.00 0.00 N ATOM 896 CA SER A 56 -8.691 2.823 -11.937 1.00 0.00 C ATOM 897 C SER A 56 -8.212 2.445 -13.337 1.00 0.00 C ATOM 898 O SER A 56 -8.807 1.628 -14.009 1.00 0.00 O ATOM 899 CB SER A 56 -9.281 4.233 -11.962 1.00 0.00 C ATOM 900 OG SER A 56 -9.361 4.732 -10.632 1.00 0.00 O ATOM 0 H SER A 56 -7.038 3.663 -10.880 1.00 0.00 H new ATOM 0 HA SER A 56 -9.456 2.119 -11.609 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.660 4.889 -12.572 1.00 0.00 H new ATOM 0 HB3 SER A 56 -10.271 4.217 -12.417 1.00 0.00 H new ATOM 0 HG SER A 56 -9.737 5.637 -10.644 1.00 0.00 H new ATOM 906 N LEU A 57 -7.143 3.040 -13.782 1.00 0.00 N ATOM 907 CA LEU A 57 -6.622 2.728 -15.138 1.00 0.00 C ATOM 908 C LEU A 57 -5.604 1.582 -15.070 1.00 0.00 C ATOM 909 O LEU A 57 -5.113 1.124 -16.082 1.00 0.00 O ATOM 910 CB LEU A 57 -5.947 3.974 -15.708 1.00 0.00 C ATOM 911 CG LEU A 57 -4.774 4.373 -14.810 1.00 0.00 C ATOM 912 CD1 LEU A 57 -3.476 3.806 -15.386 1.00 0.00 C ATOM 913 CD2 LEU A 57 -4.679 5.899 -14.745 1.00 0.00 C ATOM 0 H LEU A 57 -6.605 3.733 -13.261 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.450 2.422 -15.778 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.594 3.779 -16.721 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.664 4.792 -15.773 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.931 3.975 -13.807 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.640 4.090 -14.747 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.543 2.719 -15.434 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.318 4.204 -16.388 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.844 6.185 -14.106 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.521 6.297 -15.747 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.604 6.304 -14.336 1.00 0.00 H new ATOM 925 N ASN A 58 -5.269 1.115 -13.893 1.00 0.00 N ATOM 926 CA ASN A 58 -4.271 0.002 -13.808 1.00 0.00 C ATOM 927 C ASN A 58 -4.832 -1.242 -14.497 1.00 0.00 C ATOM 928 O ASN A 58 -6.021 -1.359 -14.720 1.00 0.00 O ATOM 929 CB ASN A 58 -3.926 -0.331 -12.348 1.00 0.00 C ATOM 930 CG ASN A 58 -2.495 0.126 -12.057 1.00 0.00 C ATOM 931 OD1 ASN A 58 -1.688 -0.640 -11.571 1.00 0.00 O ATOM 932 ND2 ASN A 58 -2.144 1.352 -12.337 1.00 0.00 N ATOM 0 H ASN A 58 -5.635 1.448 -13.001 1.00 0.00 H new ATOM 0 HA ASN A 58 -3.358 0.326 -14.308 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -4.624 0.165 -11.674 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -4.022 -1.403 -12.174 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -1.192 1.666 -12.147 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -2.822 1.996 -12.745 1.00 0.00 H new ATOM 939 N ARG A 59 -3.979 -2.161 -14.856 1.00 0.00 N ATOM 940 CA ARG A 59 -4.451 -3.389 -15.556 1.00 0.00 C ATOM 941 C ARG A 59 -4.773 -4.509 -14.558 1.00 0.00 C ATOM 942 O ARG A 59 -5.546 -5.397 -14.855 1.00 0.00 O ATOM 943 CB ARG A 59 -3.359 -3.868 -16.515 1.00 0.00 C ATOM 944 CG ARG A 59 -3.719 -5.252 -17.054 1.00 0.00 C ATOM 945 CD ARG A 59 -3.571 -5.260 -18.576 1.00 0.00 C ATOM 946 NE ARG A 59 -4.655 -6.087 -19.175 1.00 0.00 N ATOM 947 CZ ARG A 59 -4.385 -7.271 -19.648 1.00 0.00 C ATOM 948 NH1 ARG A 59 -4.094 -8.250 -18.835 1.00 0.00 N ATOM 949 NH2 ARG A 59 -4.404 -7.477 -20.935 1.00 0.00 N ATOM 0 H ARG A 59 -2.973 -2.115 -14.694 1.00 0.00 H new ATOM 0 HA ARG A 59 -5.362 -3.146 -16.104 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -3.250 -3.163 -17.339 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.399 -3.906 -15.999 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -3.070 -6.007 -16.611 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -4.741 -5.508 -16.776 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -3.620 -4.242 -18.962 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -2.597 -5.661 -18.855 1.00 0.00 H new ATOM 0 HE ARG A 59 -5.608 -5.727 -19.215 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -4.078 -8.089 -17.828 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -3.883 -9.176 -19.207 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -4.630 -6.712 -21.571 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -4.193 -8.403 -21.306 1.00 0.00 H new ATOM 963 N TYR A 60 -4.182 -4.504 -13.391 1.00 0.00 N ATOM 964 CA TYR A 60 -4.472 -5.610 -12.430 1.00 0.00 C ATOM 965 C TYR A 60 -5.016 -5.079 -11.101 1.00 0.00 C ATOM 966 O TYR A 60 -4.913 -5.735 -10.087 1.00 0.00 O ATOM 967 CB TYR A 60 -3.199 -6.414 -12.154 1.00 0.00 C ATOM 968 CG TYR A 60 -1.985 -5.517 -12.206 1.00 0.00 C ATOM 969 CD1 TYR A 60 -1.971 -4.294 -11.518 1.00 0.00 C ATOM 970 CD2 TYR A 60 -0.865 -5.917 -12.940 1.00 0.00 C ATOM 971 CE1 TYR A 60 -0.834 -3.478 -11.575 1.00 0.00 C ATOM 972 CE2 TYR A 60 0.268 -5.104 -12.995 1.00 0.00 C ATOM 973 CZ TYR A 60 0.286 -3.883 -12.312 1.00 0.00 C ATOM 974 OH TYR A 60 1.406 -3.079 -12.366 1.00 0.00 O ATOM 0 H TYR A 60 -3.523 -3.796 -13.066 1.00 0.00 H new ATOM 0 HA TYR A 60 -5.230 -6.245 -12.888 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -3.266 -6.888 -11.175 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -3.100 -7.213 -12.889 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -2.833 -3.983 -10.947 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -0.876 -6.860 -13.467 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -0.821 -2.535 -11.050 1.00 0.00 H new ATOM 0 HE2 TYR A 60 1.131 -5.417 -13.565 1.00 0.00 H new ATOM 0 HH TYR A 60 1.565 -2.680 -11.485 1.00 0.00 H new ATOM 984 N PHE A 61 -5.607 -3.924 -11.074 1.00 0.00 N ATOM 985 CA PHE A 61 -6.146 -3.436 -9.775 1.00 0.00 C ATOM 986 C PHE A 61 -7.655 -3.273 -9.883 1.00 0.00 C ATOM 987 O PHE A 61 -8.163 -2.326 -10.450 1.00 0.00 O ATOM 988 CB PHE A 61 -5.481 -2.120 -9.392 1.00 0.00 C ATOM 989 CG PHE A 61 -4.079 -2.419 -8.923 1.00 0.00 C ATOM 990 CD1 PHE A 61 -3.843 -3.466 -8.019 1.00 0.00 C ATOM 991 CD2 PHE A 61 -3.012 -1.664 -9.406 1.00 0.00 C ATOM 992 CE1 PHE A 61 -2.538 -3.743 -7.605 1.00 0.00 C ATOM 993 CE2 PHE A 61 -1.712 -1.947 -8.995 1.00 0.00 C ATOM 994 CZ PHE A 61 -1.474 -2.986 -8.094 1.00 0.00 C ATOM 0 H PHE A 61 -5.740 -3.305 -11.874 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.928 -4.163 -8.993 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -5.460 -1.442 -10.245 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.047 -1.623 -8.604 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.667 -4.055 -7.645 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -3.194 -0.857 -10.101 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.353 -4.545 -6.905 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.887 -1.362 -9.374 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.465 -3.204 -7.775 1.00 0.00 H new ATOM 1004 N ILE A 62 -8.368 -4.215 -9.340 1.00 0.00 N ATOM 1005 CA ILE A 62 -9.857 -4.169 -9.393 1.00 0.00 C ATOM 1006 C ILE A 62 -10.398 -3.490 -8.132 1.00 0.00 C ATOM 1007 O ILE A 62 -9.706 -3.355 -7.143 1.00 0.00 O ATOM 1008 CB ILE A 62 -10.411 -5.603 -9.500 1.00 0.00 C ATOM 1009 CG1 ILE A 62 -10.451 -6.272 -8.117 1.00 0.00 C ATOM 1010 CG2 ILE A 62 -9.511 -6.430 -10.422 1.00 0.00 C ATOM 1011 CD1 ILE A 62 -11.318 -7.531 -8.185 1.00 0.00 C ATOM 0 H ILE A 62 -7.981 -5.025 -8.856 1.00 0.00 H new ATOM 0 HA ILE A 62 -10.173 -3.597 -10.265 1.00 0.00 H new ATOM 0 HB ILE A 62 -11.423 -5.554 -9.903 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -9.442 -6.529 -7.796 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -10.854 -5.580 -7.378 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -9.902 -7.445 -10.498 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -9.488 -5.975 -11.412 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -8.501 -6.460 -10.013 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -11.347 -8.006 -7.204 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -12.330 -7.260 -8.487 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -10.896 -8.225 -8.912 1.00 0.00 H new ATOM 1023 N LYS A 63 -11.633 -3.072 -8.156 1.00 0.00 N ATOM 1024 CA LYS A 63 -12.219 -2.411 -6.956 1.00 0.00 C ATOM 1025 C LYS A 63 -13.026 -3.433 -6.154 1.00 0.00 C ATOM 1026 O LYS A 63 -13.382 -4.486 -6.648 1.00 0.00 O ATOM 1027 CB LYS A 63 -13.138 -1.268 -7.395 1.00 0.00 C ATOM 1028 CG LYS A 63 -12.697 0.031 -6.719 1.00 0.00 C ATOM 1029 CD LYS A 63 -13.875 0.632 -5.952 1.00 0.00 C ATOM 1030 CE LYS A 63 -13.512 2.041 -5.480 1.00 0.00 C ATOM 1031 NZ LYS A 63 -14.234 2.343 -4.212 1.00 0.00 N ATOM 0 H LYS A 63 -12.262 -3.159 -8.954 1.00 0.00 H new ATOM 0 HA LYS A 63 -11.416 -2.012 -6.336 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -13.104 -1.156 -8.479 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -14.171 -1.496 -7.130 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -11.868 -0.164 -6.039 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -12.337 0.738 -7.466 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -14.758 0.667 -6.590 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -14.124 0.004 -5.097 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -12.436 2.118 -5.325 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -13.777 2.771 -6.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -13.987 3.301 -3.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -15.260 2.286 -4.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -13.960 1.653 -3.484 1.00 0.00 H new ATOM 1045 N VAL A 64 -13.318 -3.130 -4.920 1.00 0.00 N ATOM 1046 CA VAL A 64 -14.104 -4.075 -4.078 1.00 0.00 C ATOM 1047 C VAL A 64 -14.687 -3.314 -2.882 1.00 0.00 C ATOM 1048 O VAL A 64 -14.083 -3.260 -1.829 1.00 0.00 O ATOM 1049 CB VAL A 64 -13.186 -5.196 -3.579 1.00 0.00 C ATOM 1050 CG1 VAL A 64 -11.885 -4.590 -3.051 1.00 0.00 C ATOM 1051 CG2 VAL A 64 -13.881 -5.967 -2.455 1.00 0.00 C ATOM 0 H VAL A 64 -13.045 -2.264 -4.456 1.00 0.00 H new ATOM 0 HA VAL A 64 -14.914 -4.508 -4.665 1.00 0.00 H new ATOM 0 HB VAL A 64 -12.965 -5.876 -4.402 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -11.231 -5.386 -2.696 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -11.388 -4.042 -3.851 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -12.108 -3.909 -2.229 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -13.226 -6.764 -2.102 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -14.104 -5.288 -1.632 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -14.809 -6.399 -2.830 1.00 0.00 H new ATOM 1218 N PHE A 76 -12.163 -0.031 -0.679 1.00 0.00 N ATOM 1219 CA PHE A 76 -11.113 -1.082 -0.593 1.00 0.00 C ATOM 1220 C PHE A 76 -10.655 -1.474 -1.999 1.00 0.00 C ATOM 1221 O PHE A 76 -11.370 -1.307 -2.966 1.00 0.00 O ATOM 1222 CB PHE A 76 -11.666 -2.310 0.131 1.00 0.00 C ATOM 1223 CG PHE A 76 -10.627 -2.806 1.106 1.00 0.00 C ATOM 1224 CD1 PHE A 76 -9.617 -3.667 0.668 1.00 0.00 C ATOM 1225 CD2 PHE A 76 -10.666 -2.394 2.443 1.00 0.00 C ATOM 1226 CE1 PHE A 76 -8.644 -4.118 1.566 1.00 0.00 C ATOM 1227 CE2 PHE A 76 -9.692 -2.847 3.343 1.00 0.00 C ATOM 1228 CZ PHE A 76 -8.682 -3.708 2.904 1.00 0.00 C ATOM 0 HA PHE A 76 -10.262 -0.691 -0.035 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -12.586 -2.056 0.657 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.914 -3.092 -0.587 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -9.588 -3.984 -0.364 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -11.446 -1.728 2.781 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -7.863 -4.783 1.227 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -9.722 -2.531 4.375 1.00 0.00 H new ATOM 0 HZ PHE A 76 -7.931 -4.057 3.597 1.00 0.00 H new ATOM 1238 N TRP A 77 -9.461 -1.989 -2.117 1.00 0.00 N ATOM 1239 CA TRP A 77 -8.947 -2.385 -3.457 1.00 0.00 C ATOM 1240 C TRP A 77 -8.422 -3.823 -3.415 1.00 0.00 C ATOM 1241 O TRP A 77 -8.184 -4.382 -2.363 1.00 0.00 O ATOM 1242 CB TRP A 77 -7.800 -1.458 -3.856 1.00 0.00 C ATOM 1243 CG TRP A 77 -8.341 -0.210 -4.470 1.00 0.00 C ATOM 1244 CD1 TRP A 77 -8.583 0.944 -3.808 1.00 0.00 C ATOM 1245 CD2 TRP A 77 -8.700 0.030 -5.858 1.00 0.00 C ATOM 1246 NE1 TRP A 77 -9.064 1.879 -4.705 1.00 0.00 N ATOM 1247 CE2 TRP A 77 -9.154 1.363 -5.981 1.00 0.00 C ATOM 1248 CE3 TRP A 77 -8.673 -0.772 -7.012 1.00 0.00 C ATOM 1249 CZ2 TRP A 77 -9.566 1.884 -7.206 1.00 0.00 C ATOM 1250 CZ3 TRP A 77 -9.087 -0.252 -8.248 1.00 0.00 C ATOM 1251 CH2 TRP A 77 -9.531 1.074 -8.342 1.00 0.00 C ATOM 0 H TRP A 77 -8.819 -2.152 -1.341 1.00 0.00 H new ATOM 0 HA TRP A 77 -9.759 -2.313 -4.180 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -7.200 -1.211 -2.980 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -7.141 -1.964 -4.562 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -8.426 1.108 -2.752 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -9.321 2.834 -4.454 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -8.332 -1.795 -6.947 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -9.909 2.906 -7.276 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -9.063 -0.876 -9.129 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -9.847 1.470 -9.296 1.00 0.00 H new ATOM 1262 N ARG A 78 -8.226 -4.413 -4.562 1.00 0.00 N ATOM 1263 CA ARG A 78 -7.700 -5.806 -4.621 1.00 0.00 C ATOM 1264 C ARG A 78 -7.124 -6.049 -6.013 1.00 0.00 C ATOM 1265 O ARG A 78 -7.721 -5.689 -7.003 1.00 0.00 O ATOM 1266 CB ARG A 78 -8.830 -6.802 -4.371 1.00 0.00 C ATOM 1267 CG ARG A 78 -8.300 -7.988 -3.562 1.00 0.00 C ATOM 1268 CD ARG A 78 -9.361 -8.430 -2.552 1.00 0.00 C ATOM 1269 NE ARG A 78 -10.558 -8.935 -3.281 1.00 0.00 N ATOM 1270 CZ ARG A 78 -11.291 -9.880 -2.758 1.00 0.00 C ATOM 1271 NH1 ARG A 78 -11.229 -10.124 -1.478 1.00 0.00 N ATOM 1272 NH2 ARG A 78 -12.086 -10.581 -3.519 1.00 0.00 N ATOM 0 H ARG A 78 -8.410 -3.985 -5.470 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.931 -5.938 -3.860 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.644 -6.316 -3.833 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -9.238 -7.150 -5.320 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.050 -8.814 -4.228 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -7.383 -7.708 -3.044 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -8.960 -9.210 -1.905 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -9.638 -7.594 -1.910 1.00 0.00 H new ATOM 0 HE ARG A 78 -10.805 -8.542 -4.189 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -10.607 -9.576 -0.884 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -11.803 -10.863 -1.071 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -12.134 -10.390 -4.520 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -12.660 -11.320 -3.113 1.00 0.00 H new ATOM 1286 N ILE A 79 -5.979 -6.657 -6.104 1.00 0.00 N ATOM 1287 CA ILE A 79 -5.388 -6.915 -7.452 1.00 0.00 C ATOM 1288 C ILE A 79 -5.798 -8.312 -7.923 1.00 0.00 C ATOM 1289 O ILE A 79 -6.068 -9.189 -7.127 1.00 0.00 O ATOM 1290 CB ILE A 79 -3.866 -6.797 -7.365 1.00 0.00 C ATOM 1291 CG1 ILE A 79 -3.217 -7.196 -8.689 1.00 0.00 C ATOM 1292 CG2 ILE A 79 -3.334 -7.703 -6.269 1.00 0.00 C ATOM 1293 CD1 ILE A 79 -2.347 -6.040 -9.182 1.00 0.00 C ATOM 0 H ILE A 79 -5.426 -6.986 -5.313 1.00 0.00 H new ATOM 0 HA ILE A 79 -5.755 -6.183 -8.171 1.00 0.00 H new ATOM 0 HB ILE A 79 -3.622 -5.759 -7.141 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -2.612 -8.093 -8.557 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -3.983 -7.433 -9.428 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -2.249 -7.611 -6.216 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.770 -7.413 -5.313 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -3.600 -8.737 -6.490 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.879 -6.314 -10.127 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -2.966 -5.155 -9.327 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.575 -5.825 -8.443 1.00 0.00 H new ATOM 1305 N ASP A 80 -5.867 -8.523 -9.210 1.00 0.00 N ATOM 1306 CA ASP A 80 -6.282 -9.858 -9.718 1.00 0.00 C ATOM 1307 C ASP A 80 -5.338 -10.926 -9.156 1.00 0.00 C ATOM 1308 O ASP A 80 -4.150 -10.704 -9.043 1.00 0.00 O ATOM 1309 CB ASP A 80 -6.214 -9.862 -11.246 1.00 0.00 C ATOM 1310 CG ASP A 80 -7.627 -9.771 -11.824 1.00 0.00 C ATOM 1311 OD1 ASP A 80 -8.506 -9.306 -11.117 1.00 0.00 O ATOM 1312 OD2 ASP A 80 -7.806 -10.165 -12.965 1.00 0.00 O ATOM 0 H ASP A 80 -5.654 -7.830 -9.928 1.00 0.00 H new ATOM 0 HA ASP A 80 -7.303 -10.073 -9.402 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -5.613 -9.023 -11.595 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -5.725 -10.771 -11.596 1.00 0.00 H new ATOM 1317 N PRO A 81 -5.907 -12.052 -8.800 1.00 0.00 N ATOM 1318 CA PRO A 81 -5.152 -13.176 -8.218 1.00 0.00 C ATOM 1319 C PRO A 81 -4.413 -13.970 -9.300 1.00 0.00 C ATOM 1320 O PRO A 81 -3.242 -14.268 -9.168 1.00 0.00 O ATOM 1321 CB PRO A 81 -6.239 -14.033 -7.562 1.00 0.00 C ATOM 1322 CG PRO A 81 -7.568 -13.675 -8.270 1.00 0.00 C ATOM 1323 CD PRO A 81 -7.355 -12.308 -8.946 1.00 0.00 C ATOM 0 HA PRO A 81 -4.383 -12.848 -7.518 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -6.015 -15.094 -7.671 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -6.302 -13.829 -6.493 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -7.831 -14.434 -9.007 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -8.388 -13.629 -7.553 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -7.651 -12.332 -9.995 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -7.947 -11.530 -8.465 1.00 0.00 H new ATOM 1331 N ALA A 82 -5.082 -14.326 -10.360 1.00 0.00 N ATOM 1332 CA ALA A 82 -4.406 -15.112 -11.431 1.00 0.00 C ATOM 1333 C ALA A 82 -3.366 -14.244 -12.137 1.00 0.00 C ATOM 1334 O ALA A 82 -2.554 -14.733 -12.897 1.00 0.00 O ATOM 1335 CB ALA A 82 -5.444 -15.600 -12.443 1.00 0.00 C ATOM 0 H ALA A 82 -6.064 -14.108 -10.532 1.00 0.00 H new ATOM 0 HA ALA A 82 -3.907 -15.971 -10.983 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -4.948 -16.174 -13.225 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -6.176 -16.231 -11.938 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.950 -14.743 -12.888 1.00 0.00 H new ATOM 1341 N SER A 83 -3.363 -12.967 -11.880 1.00 0.00 N ATOM 1342 CA SER A 83 -2.353 -12.093 -12.523 1.00 0.00 C ATOM 1343 C SER A 83 -1.378 -11.628 -11.452 1.00 0.00 C ATOM 1344 O SER A 83 -0.352 -11.065 -11.745 1.00 0.00 O ATOM 1345 CB SER A 83 -3.032 -10.876 -13.153 1.00 0.00 C ATOM 1346 OG SER A 83 -3.022 -11.012 -14.568 1.00 0.00 O ATOM 0 H SER A 83 -4.015 -12.495 -11.254 1.00 0.00 H new ATOM 0 HA SER A 83 -1.831 -12.644 -13.305 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.057 -10.789 -12.792 1.00 0.00 H new ATOM 0 HB3 SER A 83 -2.513 -9.963 -12.860 1.00 0.00 H new ATOM 0 HG SER A 83 -3.458 -10.234 -14.974 1.00 0.00 H new ATOM 1352 N GLU A 84 -1.698 -11.861 -10.209 1.00 0.00 N ATOM 1353 CA GLU A 84 -0.797 -11.420 -9.115 1.00 0.00 C ATOM 1354 C GLU A 84 0.584 -12.039 -9.293 1.00 0.00 C ATOM 1355 O GLU A 84 1.572 -11.342 -9.347 1.00 0.00 O ATOM 1356 CB GLU A 84 -1.383 -11.855 -7.771 1.00 0.00 C ATOM 1357 CG GLU A 84 -0.409 -11.496 -6.646 1.00 0.00 C ATOM 1358 CD GLU A 84 -0.656 -12.413 -5.447 1.00 0.00 C ATOM 1359 OE1 GLU A 84 -0.827 -13.602 -5.659 1.00 0.00 O ATOM 1360 OE2 GLU A 84 -0.669 -11.910 -4.335 1.00 0.00 O ATOM 0 H GLU A 84 -2.547 -12.339 -9.906 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.705 -10.334 -9.142 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -2.342 -11.365 -7.605 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -1.570 -12.929 -7.775 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.619 -11.602 -6.993 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.541 -10.454 -6.354 1.00 0.00 H new ATOM 1367 N ALA A 85 0.672 -13.335 -9.386 1.00 0.00 N ATOM 1368 CA ALA A 85 2.014 -13.967 -9.554 1.00 0.00 C ATOM 1369 C ALA A 85 2.779 -13.268 -10.685 1.00 0.00 C ATOM 1370 O ALA A 85 3.990 -13.341 -10.761 1.00 0.00 O ATOM 1371 CB ALA A 85 1.843 -15.450 -9.890 1.00 0.00 C ATOM 0 H ALA A 85 -0.117 -13.981 -9.354 1.00 0.00 H new ATOM 0 HA ALA A 85 2.577 -13.868 -8.626 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.823 -15.911 -10.013 1.00 0.00 H new ATOM 0 HB2 ALA A 85 1.307 -15.947 -9.081 1.00 0.00 H new ATOM 0 HB3 ALA A 85 1.277 -15.550 -10.816 1.00 0.00 H new ATOM 1377 N LYS A 86 2.087 -12.593 -11.565 1.00 0.00 N ATOM 1378 CA LYS A 86 2.784 -11.897 -12.685 1.00 0.00 C ATOM 1379 C LYS A 86 3.193 -10.487 -12.247 1.00 0.00 C ATOM 1380 O LYS A 86 4.357 -10.141 -12.244 1.00 0.00 O ATOM 1381 CB LYS A 86 1.846 -11.804 -13.890 1.00 0.00 C ATOM 1382 CG LYS A 86 2.668 -11.577 -15.160 1.00 0.00 C ATOM 1383 CD LYS A 86 1.914 -10.632 -16.098 1.00 0.00 C ATOM 1384 CE LYS A 86 2.753 -9.375 -16.344 1.00 0.00 C ATOM 1385 NZ LYS A 86 2.982 -9.208 -17.807 1.00 0.00 N ATOM 0 H LYS A 86 1.072 -12.494 -11.556 1.00 0.00 H new ATOM 0 HA LYS A 86 3.676 -12.461 -12.958 1.00 0.00 H new ATOM 0 HB2 LYS A 86 1.262 -12.720 -13.981 1.00 0.00 H new ATOM 0 HB3 LYS A 86 1.138 -10.987 -13.751 1.00 0.00 H new ATOM 0 HG2 LYS A 86 3.640 -11.154 -14.905 1.00 0.00 H new ATOM 0 HG3 LYS A 86 2.855 -12.528 -15.659 1.00 0.00 H new ATOM 0 HD2 LYS A 86 1.705 -11.132 -17.043 1.00 0.00 H new ATOM 0 HD3 LYS A 86 0.953 -10.360 -15.661 1.00 0.00 H new ATOM 0 HE2 LYS A 86 2.242 -8.500 -15.943 1.00 0.00 H new ATOM 0 HE3 LYS A 86 3.707 -9.454 -15.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 3.552 -8.354 -17.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 3.487 -10.039 -18.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 2.067 -9.114 -18.293 1.00 0.00 H new ATOM 1399 N LEU A 87 2.243 -9.665 -11.886 1.00 0.00 N ATOM 1400 CA LEU A 87 2.574 -8.276 -11.455 1.00 0.00 C ATOM 1401 C LEU A 87 3.653 -8.314 -10.383 1.00 0.00 C ATOM 1402 O LEU A 87 4.736 -7.788 -10.548 1.00 0.00 O ATOM 1403 CB LEU A 87 1.328 -7.586 -10.880 1.00 0.00 C ATOM 1404 CG LEU A 87 0.384 -8.611 -10.234 1.00 0.00 C ATOM 1405 CD1 LEU A 87 0.052 -8.181 -8.806 1.00 0.00 C ATOM 1406 CD2 LEU A 87 -0.917 -8.688 -11.035 1.00 0.00 C ATOM 0 H LEU A 87 1.250 -9.897 -11.871 1.00 0.00 H new ATOM 0 HA LEU A 87 2.930 -7.719 -12.322 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.627 -6.844 -10.140 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.804 -7.052 -11.673 1.00 0.00 H new ATOM 0 HG LEU A 87 0.875 -9.584 -10.224 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.618 -8.912 -8.352 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.970 -8.119 -8.222 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.434 -7.205 -8.823 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.585 -9.416 -10.575 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.397 -7.710 -11.044 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.697 -8.994 -12.058 1.00 0.00 H new ATOM 1418 N VAL A 88 3.355 -8.930 -9.286 1.00 0.00 N ATOM 1419 CA VAL A 88 4.337 -9.017 -8.180 1.00 0.00 C ATOM 1420 C VAL A 88 5.738 -9.292 -8.724 1.00 0.00 C ATOM 1421 O VAL A 88 6.730 -8.915 -8.134 1.00 0.00 O ATOM 1422 CB VAL A 88 3.943 -10.175 -7.299 1.00 0.00 C ATOM 1423 CG1 VAL A 88 2.617 -9.872 -6.597 1.00 0.00 C ATOM 1424 CG2 VAL A 88 3.795 -11.420 -8.173 1.00 0.00 C ATOM 0 H VAL A 88 2.460 -9.385 -9.103 1.00 0.00 H new ATOM 0 HA VAL A 88 4.345 -8.075 -7.631 1.00 0.00 H new ATOM 0 HB VAL A 88 4.707 -10.340 -6.539 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.340 -10.714 -5.963 1.00 0.00 H new ATOM 0 HG12 VAL A 88 2.726 -8.977 -5.985 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.839 -9.709 -7.343 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.510 -12.269 -7.552 1.00 0.00 H new ATOM 0 HG22 VAL A 88 3.026 -11.247 -8.926 1.00 0.00 H new ATOM 0 HG23 VAL A 88 4.744 -11.633 -8.666 1.00 0.00 H new ATOM 1434 N GLU A 89 5.827 -9.963 -9.835 1.00 0.00 N ATOM 1435 CA GLU A 89 7.166 -10.280 -10.403 1.00 0.00 C ATOM 1436 C GLU A 89 7.963 -8.984 -10.525 1.00 0.00 C ATOM 1437 O GLU A 89 9.053 -8.866 -10.001 1.00 0.00 O ATOM 1438 CB GLU A 89 6.997 -10.915 -11.786 1.00 0.00 C ATOM 1439 CG GLU A 89 8.372 -11.247 -12.370 1.00 0.00 C ATOM 1440 CD GLU A 89 8.236 -11.522 -13.868 1.00 0.00 C ATOM 1441 OE1 GLU A 89 8.082 -10.570 -14.615 1.00 0.00 O ATOM 1442 OE2 GLU A 89 8.289 -12.682 -14.245 1.00 0.00 O ATOM 0 H GLU A 89 5.032 -10.306 -10.375 1.00 0.00 H new ATOM 0 HA GLU A 89 7.693 -10.979 -9.753 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.395 -11.820 -11.710 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.465 -10.232 -12.448 1.00 0.00 H new ATOM 0 HG2 GLU A 89 9.060 -10.418 -12.202 1.00 0.00 H new ATOM 0 HG3 GLU A 89 8.793 -12.117 -11.866 1.00 0.00 H new ATOM 1449 N GLN A 90 7.422 -7.999 -11.183 1.00 0.00 N ATOM 1450 CA GLN A 90 8.149 -6.709 -11.296 1.00 0.00 C ATOM 1451 C GLN A 90 8.051 -5.982 -9.951 1.00 0.00 C ATOM 1452 O GLN A 90 8.763 -5.032 -9.692 1.00 0.00 O ATOM 1453 CB GLN A 90 7.517 -5.852 -12.394 1.00 0.00 C ATOM 1454 CG GLN A 90 8.528 -5.641 -13.522 1.00 0.00 C ATOM 1455 CD GLN A 90 8.480 -6.831 -14.481 1.00 0.00 C ATOM 1456 OE1 GLN A 90 7.600 -7.665 -14.390 1.00 0.00 O ATOM 1457 NE2 GLN A 90 9.395 -6.950 -15.404 1.00 0.00 N ATOM 0 H GLN A 90 6.513 -8.032 -11.645 1.00 0.00 H new ATOM 0 HA GLN A 90 9.193 -6.889 -11.551 1.00 0.00 H new ATOM 0 HB2 GLN A 90 6.622 -6.339 -12.780 1.00 0.00 H new ATOM 0 HB3 GLN A 90 7.206 -4.890 -11.986 1.00 0.00 H new ATOM 0 HG2 GLN A 90 8.303 -4.719 -14.058 1.00 0.00 H new ATOM 0 HG3 GLN A 90 9.531 -5.533 -13.110 1.00 0.00 H new ATOM 0 HE21 GLN A 90 10.134 -6.252 -15.482 1.00 0.00 H new ATOM 0 HE22 GLN A 90 9.371 -7.741 -16.047 1.00 0.00 H new ATOM 1466 N ALA A 91 7.170 -6.430 -9.090 1.00 0.00 N ATOM 1467 CA ALA A 91 7.019 -5.775 -7.759 1.00 0.00 C ATOM 1468 C ALA A 91 8.236 -6.089 -6.886 1.00 0.00 C ATOM 1469 O ALA A 91 8.549 -5.367 -5.961 1.00 0.00 O ATOM 1470 CB ALA A 91 5.755 -6.288 -7.069 1.00 0.00 C ATOM 0 H ALA A 91 6.549 -7.222 -9.254 1.00 0.00 H new ATOM 0 HA ALA A 91 6.942 -4.697 -7.901 1.00 0.00 H new ATOM 0 HB1 ALA A 91 5.650 -5.806 -6.097 1.00 0.00 H new ATOM 0 HB2 ALA A 91 4.885 -6.057 -7.684 1.00 0.00 H new ATOM 0 HB3 ALA A 91 5.827 -7.367 -6.933 1.00 0.00 H new ATOM 1476 N PHE A 92 8.923 -7.161 -7.170 1.00 0.00 N ATOM 1477 CA PHE A 92 10.115 -7.516 -6.350 1.00 0.00 C ATOM 1478 C PHE A 92 11.363 -6.868 -6.951 1.00 0.00 C ATOM 1479 O PHE A 92 12.427 -6.888 -6.366 1.00 0.00 O ATOM 1480 CB PHE A 92 10.285 -9.036 -6.329 1.00 0.00 C ATOM 1481 CG PHE A 92 9.157 -9.657 -5.543 1.00 0.00 C ATOM 1482 CD1 PHE A 92 9.147 -9.566 -4.146 1.00 0.00 C ATOM 1483 CD2 PHE A 92 8.121 -10.324 -6.208 1.00 0.00 C ATOM 1484 CE1 PHE A 92 8.102 -10.142 -3.414 1.00 0.00 C ATOM 1485 CE2 PHE A 92 7.076 -10.900 -5.476 1.00 0.00 C ATOM 1486 CZ PHE A 92 7.067 -10.809 -4.079 1.00 0.00 C ATOM 0 H PHE A 92 8.711 -7.805 -7.932 1.00 0.00 H new ATOM 0 HA PHE A 92 9.976 -7.153 -5.332 1.00 0.00 H new ATOM 0 HB2 PHE A 92 10.291 -9.426 -7.347 1.00 0.00 H new ATOM 0 HB3 PHE A 92 11.243 -9.299 -5.881 1.00 0.00 H new ATOM 0 HD1 PHE A 92 9.946 -9.051 -3.633 1.00 0.00 H new ATOM 0 HD2 PHE A 92 8.128 -10.394 -7.286 1.00 0.00 H new ATOM 0 HE1 PHE A 92 8.095 -10.072 -2.336 1.00 0.00 H new ATOM 0 HE2 PHE A 92 6.277 -11.415 -5.989 1.00 0.00 H new ATOM 0 HZ PHE A 92 6.261 -11.254 -3.514 1.00 0.00 H new ATOM 1496 N ARG A 93 11.243 -6.290 -8.115 1.00 0.00 N ATOM 1497 CA ARG A 93 12.427 -5.639 -8.746 1.00 0.00 C ATOM 1498 C ARG A 93 11.972 -4.419 -9.549 1.00 0.00 C ATOM 1499 O ARG A 93 11.019 -4.476 -10.301 1.00 0.00 O ATOM 1500 CB ARG A 93 13.133 -6.630 -9.676 1.00 0.00 C ATOM 1501 CG ARG A 93 12.129 -7.652 -10.208 1.00 0.00 C ATOM 1502 CD ARG A 93 12.276 -8.963 -9.434 1.00 0.00 C ATOM 1503 NE ARG A 93 12.092 -10.111 -10.363 1.00 0.00 N ATOM 1504 CZ ARG A 93 13.055 -10.975 -10.535 1.00 0.00 C ATOM 1505 NH1 ARG A 93 13.474 -11.694 -9.529 1.00 0.00 N ATOM 1506 NH2 ARG A 93 13.601 -11.117 -11.711 1.00 0.00 N ATOM 0 H ARG A 93 10.379 -6.240 -8.655 1.00 0.00 H new ATOM 0 HA ARG A 93 13.120 -5.324 -7.966 1.00 0.00 H new ATOM 0 HB2 ARG A 93 13.596 -6.096 -10.506 1.00 0.00 H new ATOM 0 HB3 ARG A 93 13.933 -7.139 -9.139 1.00 0.00 H new ATOM 0 HG2 ARG A 93 11.114 -7.268 -10.105 1.00 0.00 H new ATOM 0 HG3 ARG A 93 12.298 -7.824 -11.271 1.00 0.00 H new ATOM 0 HD2 ARG A 93 13.259 -9.014 -8.967 1.00 0.00 H new ATOM 0 HD3 ARG A 93 11.539 -9.009 -8.632 1.00 0.00 H new ATOM 0 HE ARG A 93 11.212 -10.223 -10.866 1.00 0.00 H new ATOM 0 HH11 ARG A 93 13.049 -11.580 -8.609 1.00 0.00 H new ATOM 0 HH12 ARG A 93 14.227 -12.369 -9.663 1.00 0.00 H new ATOM 0 HH21 ARG A 93 13.275 -10.553 -12.496 1.00 0.00 H new ATOM 0 HH22 ARG A 93 14.354 -11.792 -11.846 1.00 0.00 H new ATOM 1520 N LYS A 94 12.651 -3.315 -9.394 1.00 0.00 N ATOM 1521 CA LYS A 94 12.265 -2.088 -10.146 1.00 0.00 C ATOM 1522 C LYS A 94 13.507 -1.492 -10.813 1.00 0.00 C ATOM 1523 O LYS A 94 13.740 -1.678 -11.990 1.00 0.00 O ATOM 1524 CB LYS A 94 11.662 -1.067 -9.179 1.00 0.00 C ATOM 1525 CG LYS A 94 11.380 0.242 -9.920 1.00 0.00 C ATOM 1526 CD LYS A 94 9.950 0.229 -10.462 1.00 0.00 C ATOM 1527 CE LYS A 94 9.962 -0.200 -11.930 1.00 0.00 C ATOM 1528 NZ LYS A 94 9.879 1.005 -12.801 1.00 0.00 N ATOM 0 H LYS A 94 13.457 -3.210 -8.778 1.00 0.00 H new ATOM 0 HA LYS A 94 11.529 -2.342 -10.909 1.00 0.00 H new ATOM 0 HB2 LYS A 94 10.740 -1.459 -8.750 1.00 0.00 H new ATOM 0 HB3 LYS A 94 12.348 -0.887 -8.351 1.00 0.00 H new ATOM 0 HG2 LYS A 94 11.517 1.089 -9.247 1.00 0.00 H new ATOM 0 HG3 LYS A 94 12.089 0.368 -10.739 1.00 0.00 H new ATOM 0 HD2 LYS A 94 9.335 -0.455 -9.878 1.00 0.00 H new ATOM 0 HD3 LYS A 94 9.505 1.219 -10.366 1.00 0.00 H new ATOM 0 HE2 LYS A 94 10.872 -0.758 -12.149 1.00 0.00 H new ATOM 0 HE3 LYS A 94 9.123 -0.866 -12.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 9.887 0.713 -13.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 8.999 1.520 -12.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 10.693 1.625 -12.615 1.00 0.00 H new