USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 594 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 10 SER OG : rot -27:sc= 0.516 USER MOD Set 1.2: A 57 LYS NZ :NH3+ 180:sc= -0.0682 (180deg=0) USER MOD Set 2.1: A 27 CYS SG : rot 180:sc= 0 USER MOD Set 2.2: A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.0777 X(o=-0.078,f=0) USER MOD Single : A 16 SER OG : rot -38:sc= -4.28 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot -75:sc= -0.444 USER MOD Single : A 24 TYR OH : rot 180:sc= -0.837 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= -0.764 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -134:sc= -1.68 (180deg=-4.67!) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -4.74! C(o=-4.7!,f=-8.4!) USER MOD Single : A 50 TYR OH : rot 130:sc= -0.687 USER MOD Single : A 52 LYS NZ :NH3+ 153:sc= -0.081 (180deg=-0.528) USER MOD Single : A 55 THR OG1 : rot -52:sc= 0.818 USER MOD Single : A 58 THR OG1 : rot 180:sc=-0.00313 USER MOD Single : A 60 THR OG1 : rot 80:sc= 0.578 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.145 K(o=-0.15,f=-2.5!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= -1.96 K(o=-2,f=-0.55) USER MOD Single : A 69 GLN : amide:sc= -0.311 K(o=-0.31,f=-1.6!) USER MOD Single : A 76 SER OG : rot 43:sc= 1.29 USER MOD ----------------------------------------------------------------- ATOM 130 N SER A 10 13.472 -2.262 11.698 1.00 0.00 N ATOM 131 CA SER A 10 12.913 -3.599 11.534 1.00 0.00 C ATOM 132 C SER A 10 12.416 -3.808 10.103 1.00 0.00 C ATOM 133 O SER A 10 11.650 -2.997 9.583 1.00 0.00 O ATOM 134 CB SER A 10 11.766 -3.819 12.521 1.00 0.00 C ATOM 135 OG SER A 10 11.137 -2.594 12.855 1.00 0.00 O ATOM 0 HA SER A 10 13.701 -4.324 11.737 1.00 0.00 H new ATOM 0 HB2 SER A 10 11.034 -4.500 12.087 1.00 0.00 H new ATOM 0 HB3 SER A 10 12.147 -4.294 13.425 1.00 0.00 H new ATOM 0 HG SER A 10 11.780 -1.860 12.763 1.00 0.00 H new ATOM 141 N PRO A 11 12.844 -4.901 9.445 1.00 0.00 N ATOM 142 CA PRO A 11 12.434 -5.204 8.070 1.00 0.00 C ATOM 143 C PRO A 11 10.975 -5.640 7.974 1.00 0.00 C ATOM 144 O PRO A 11 10.402 -5.686 6.886 1.00 0.00 O ATOM 145 CB PRO A 11 13.361 -6.348 7.667 1.00 0.00 C ATOM 146 CG PRO A 11 13.702 -7.016 8.949 1.00 0.00 C ATOM 147 CD PRO A 11 13.759 -5.925 9.983 1.00 0.00 C ATOM 0 HA PRO A 11 12.507 -4.329 7.425 1.00 0.00 H new ATOM 0 HB2 PRO A 11 12.868 -7.035 6.980 1.00 0.00 H new ATOM 0 HB3 PRO A 11 14.253 -5.978 7.162 1.00 0.00 H new ATOM 0 HG2 PRO A 11 12.953 -7.763 9.211 1.00 0.00 H new ATOM 0 HG3 PRO A 11 14.658 -7.535 8.876 1.00 0.00 H new ATOM 0 HD2 PRO A 11 13.435 -6.280 10.961 1.00 0.00 H new ATOM 0 HD3 PRO A 11 14.771 -5.537 10.104 1.00 0.00 H new ATOM 155 N ASP A 12 10.379 -5.961 9.118 1.00 0.00 N ATOM 156 CA ASP A 12 8.988 -6.394 9.158 1.00 0.00 C ATOM 157 C ASP A 12 8.055 -5.292 8.672 1.00 0.00 C ATOM 158 O ASP A 12 6.943 -5.561 8.217 1.00 0.00 O ATOM 159 CB ASP A 12 8.604 -6.818 10.573 1.00 0.00 C ATOM 160 CG ASP A 12 8.332 -8.305 10.681 1.00 0.00 C ATOM 161 OD1 ASP A 12 7.214 -8.732 10.322 1.00 0.00 O ATOM 162 OD2 ASP A 12 9.237 -9.044 11.123 1.00 0.00 O ATOM 0 H ASP A 12 10.838 -5.929 10.029 1.00 0.00 H new ATOM 0 HA ASP A 12 8.884 -7.249 8.490 1.00 0.00 H new ATOM 0 HB2 ASP A 12 9.406 -6.548 11.260 1.00 0.00 H new ATOM 0 HB3 ASP A 12 7.718 -6.266 10.886 1.00 0.00 H new ATOM 167 N ILE A 13 8.517 -4.053 8.766 1.00 0.00 N ATOM 168 CA ILE A 13 7.726 -2.913 8.331 1.00 0.00 C ATOM 169 C ILE A 13 7.652 -2.862 6.818 1.00 0.00 C ATOM 170 O ILE A 13 6.569 -2.868 6.233 1.00 0.00 O ATOM 171 CB ILE A 13 8.293 -1.589 8.855 1.00 0.00 C ATOM 172 CG1 ILE A 13 8.687 -1.713 10.329 1.00 0.00 C ATOM 173 CG2 ILE A 13 7.285 -0.466 8.662 1.00 0.00 C ATOM 174 CD1 ILE A 13 7.556 -2.179 11.221 1.00 0.00 C ATOM 0 H ILE A 13 9.435 -3.813 9.140 1.00 0.00 H new ATOM 0 HA ILE A 13 6.726 -3.044 8.744 1.00 0.00 H new ATOM 0 HB ILE A 13 9.190 -1.350 8.283 1.00 0.00 H new ATOM 0 HG12 ILE A 13 9.519 -2.412 10.417 1.00 0.00 H new ATOM 0 HG13 ILE A 13 9.044 -0.746 10.684 1.00 0.00 H new ATOM 0 HG21 ILE A 13 7.703 0.467 9.039 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.058 -0.359 7.601 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.371 -0.700 9.207 1.00 0.00 H new ATOM 0 HD11 ILE A 13 7.908 -2.244 12.251 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.731 -1.469 11.163 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.214 -3.160 10.892 1.00 0.00 H new ATOM 186 N GLU A 14 8.814 -2.834 6.194 1.00 0.00 N ATOM 187 CA GLU A 14 8.898 -2.807 4.744 1.00 0.00 C ATOM 188 C GLU A 14 8.323 -4.092 4.165 1.00 0.00 C ATOM 189 O GLU A 14 7.860 -4.122 3.025 1.00 0.00 O ATOM 190 CB GLU A 14 10.347 -2.623 4.291 1.00 0.00 C ATOM 191 CG GLU A 14 10.780 -1.168 4.213 1.00 0.00 C ATOM 192 CD GLU A 14 12.194 -0.953 4.718 1.00 0.00 C ATOM 193 OE1 GLU A 14 13.141 -1.133 3.924 1.00 0.00 O ATOM 194 OE2 GLU A 14 12.353 -0.604 5.906 1.00 0.00 O ATOM 0 H GLU A 14 9.716 -2.829 6.669 1.00 0.00 H new ATOM 0 HA GLU A 14 8.315 -1.962 4.378 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.004 -3.153 4.980 1.00 0.00 H new ATOM 0 HB3 GLU A 14 10.474 -3.084 3.312 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.711 -0.827 3.180 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.092 -0.556 4.797 1.00 0.00 H new ATOM 201 N GLN A 15 8.348 -5.150 4.968 1.00 0.00 N ATOM 202 CA GLN A 15 7.821 -6.435 4.551 1.00 0.00 C ATOM 203 C GLN A 15 6.307 -6.425 4.595 1.00 0.00 C ATOM 204 O GLN A 15 5.638 -6.910 3.683 1.00 0.00 O ATOM 205 CB GLN A 15 8.370 -7.538 5.432 1.00 0.00 C ATOM 206 CG GLN A 15 9.567 -8.231 4.819 1.00 0.00 C ATOM 207 CD GLN A 15 9.177 -9.270 3.787 1.00 0.00 C ATOM 208 OE1 GLN A 15 8.931 -10.430 4.119 1.00 0.00 O ATOM 209 NE2 GLN A 15 9.118 -8.859 2.526 1.00 0.00 N ATOM 0 H GLN A 15 8.730 -5.138 5.914 1.00 0.00 H new ATOM 0 HA GLN A 15 8.134 -6.623 3.524 1.00 0.00 H new ATOM 0 HB2 GLN A 15 8.652 -7.120 6.398 1.00 0.00 H new ATOM 0 HB3 GLN A 15 7.586 -8.272 5.619 1.00 0.00 H new ATOM 0 HG2 GLN A 15 10.213 -7.487 4.353 1.00 0.00 H new ATOM 0 HG3 GLN A 15 10.148 -8.709 5.608 1.00 0.00 H new ATOM 0 HE21 GLN A 15 9.330 -7.888 2.296 1.00 0.00 H new ATOM 0 HE22 GLN A 15 8.861 -9.514 1.788 1.00 0.00 H new ATOM 218 N SER A 16 5.777 -5.846 5.659 1.00 0.00 N ATOM 219 CA SER A 16 4.339 -5.739 5.830 1.00 0.00 C ATOM 220 C SER A 16 3.751 -4.834 4.754 1.00 0.00 C ATOM 221 O SER A 16 2.559 -4.898 4.455 1.00 0.00 O ATOM 222 CB SER A 16 4.003 -5.193 7.219 1.00 0.00 C ATOM 223 OG SER A 16 2.690 -5.558 7.608 1.00 0.00 O ATOM 0 H SER A 16 6.323 -5.442 6.419 1.00 0.00 H new ATOM 0 HA SER A 16 3.903 -6.733 5.735 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.720 -5.574 7.946 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.097 -4.107 7.218 1.00 0.00 H new ATOM 0 HG SER A 16 2.094 -5.514 6.831 1.00 0.00 H new ATOM 229 N PHE A 17 4.603 -3.992 4.173 1.00 0.00 N ATOM 230 CA PHE A 17 4.179 -3.076 3.129 1.00 0.00 C ATOM 231 C PHE A 17 3.865 -3.826 1.847 1.00 0.00 C ATOM 232 O PHE A 17 2.862 -3.558 1.186 1.00 0.00 O ATOM 233 CB PHE A 17 5.255 -2.023 2.877 1.00 0.00 C ATOM 234 CG PHE A 17 4.865 -0.646 3.332 1.00 0.00 C ATOM 235 CD1 PHE A 17 4.364 -0.442 4.607 1.00 0.00 C ATOM 236 CD2 PHE A 17 5.001 0.442 2.486 1.00 0.00 C ATOM 237 CE1 PHE A 17 4.006 0.823 5.030 1.00 0.00 C ATOM 238 CE2 PHE A 17 4.644 1.710 2.903 1.00 0.00 C ATOM 239 CZ PHE A 17 4.146 1.901 4.177 1.00 0.00 C ATOM 0 H PHE A 17 5.593 -3.929 4.412 1.00 0.00 H new ATOM 0 HA PHE A 17 3.270 -2.576 3.463 1.00 0.00 H new ATOM 0 HB2 PHE A 17 6.170 -2.320 3.389 1.00 0.00 H new ATOM 0 HB3 PHE A 17 5.481 -1.994 1.811 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.252 -1.281 5.278 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.390 0.298 1.489 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.617 0.970 6.027 1.00 0.00 H new ATOM 0 HE2 PHE A 17 4.754 2.550 2.234 1.00 0.00 H new ATOM 0 HZ PHE A 17 3.867 2.891 4.506 1.00 0.00 H new ATOM 249 N GLN A 18 4.721 -4.775 1.507 1.00 0.00 N ATOM 250 CA GLN A 18 4.522 -5.571 0.307 1.00 0.00 C ATOM 251 C GLN A 18 3.295 -6.454 0.463 1.00 0.00 C ATOM 252 O GLN A 18 2.611 -6.766 -0.510 1.00 0.00 O ATOM 253 CB GLN A 18 5.748 -6.435 0.005 1.00 0.00 C ATOM 254 CG GLN A 18 5.483 -7.512 -1.037 1.00 0.00 C ATOM 255 CD GLN A 18 6.759 -8.108 -1.601 1.00 0.00 C ATOM 256 OE1 GLN A 18 7.376 -7.541 -2.503 1.00 0.00 O ATOM 257 NE2 GLN A 18 7.160 -9.257 -1.071 1.00 0.00 N ATOM 0 H GLN A 18 5.557 -5.012 2.042 1.00 0.00 H new ATOM 0 HA GLN A 18 4.372 -4.887 -0.528 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.559 -5.795 -0.343 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.087 -6.907 0.927 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.883 -8.305 -0.590 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.895 -7.088 -1.851 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.617 -9.691 -0.325 1.00 0.00 H new ATOM 0 HE22 GLN A 18 8.011 -9.705 -1.410 1.00 0.00 H new ATOM 266 N GLU A 19 3.028 -6.855 1.695 1.00 0.00 N ATOM 267 CA GLU A 19 1.886 -7.702 1.985 1.00 0.00 C ATOM 268 C GLU A 19 0.591 -6.952 1.736 1.00 0.00 C ATOM 269 O GLU A 19 -0.397 -7.531 1.291 1.00 0.00 O ATOM 270 CB GLU A 19 1.946 -8.209 3.423 1.00 0.00 C ATOM 271 CG GLU A 19 1.967 -9.725 3.534 1.00 0.00 C ATOM 272 CD GLU A 19 3.332 -10.312 3.234 1.00 0.00 C ATOM 273 OE1 GLU A 19 4.203 -10.277 4.128 1.00 0.00 O ATOM 274 OE2 GLU A 19 3.529 -10.807 2.104 1.00 0.00 O ATOM 0 H GLU A 19 3.588 -6.606 2.510 1.00 0.00 H new ATOM 0 HA GLU A 19 1.918 -8.563 1.317 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.837 -7.806 3.905 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.086 -7.825 3.971 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.663 -10.016 4.539 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.235 -10.146 2.845 1.00 0.00 H new ATOM 281 N ALA A 20 0.609 -5.658 2.010 1.00 0.00 N ATOM 282 CA ALA A 20 -0.560 -4.826 1.799 1.00 0.00 C ATOM 283 C ALA A 20 -0.653 -4.404 0.342 1.00 0.00 C ATOM 284 O ALA A 20 -1.744 -4.213 -0.196 1.00 0.00 O ATOM 285 CB ALA A 20 -0.528 -3.610 2.713 1.00 0.00 C ATOM 0 H ALA A 20 1.421 -5.163 2.379 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.447 -5.409 2.045 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -1.414 -3.000 2.538 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.512 -3.937 3.753 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.365 -3.021 2.504 1.00 0.00 H new ATOM 291 N LEU A 21 0.503 -4.277 -0.292 1.00 0.00 N ATOM 292 CA LEU A 21 0.569 -3.897 -1.690 1.00 0.00 C ATOM 293 C LEU A 21 0.319 -5.109 -2.577 1.00 0.00 C ATOM 294 O LEU A 21 -0.209 -4.988 -3.682 1.00 0.00 O ATOM 295 CB LEU A 21 1.923 -3.269 -2.010 1.00 0.00 C ATOM 296 CG LEU A 21 1.870 -1.809 -2.466 1.00 0.00 C ATOM 297 CD1 LEU A 21 1.272 -1.706 -3.860 1.00 0.00 C ATOM 298 CD2 LEU A 21 1.074 -0.970 -1.477 1.00 0.00 C ATOM 0 H LEU A 21 1.411 -4.433 0.145 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.206 -3.157 -1.887 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.555 -3.334 -1.124 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.405 -3.860 -2.789 1.00 0.00 H new ATOM 0 HG LEU A 21 2.888 -1.422 -2.502 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.243 -0.661 -4.167 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.884 -2.273 -4.561 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.260 -2.111 -3.853 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.047 0.065 -1.817 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.057 -1.356 -1.408 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.547 -1.017 -0.496 1.00 0.00 H new ATOM 310 N SER A 22 0.692 -6.280 -2.073 1.00 0.00 N ATOM 311 CA SER A 22 0.499 -7.519 -2.803 1.00 0.00 C ATOM 312 C SER A 22 -0.955 -7.951 -2.714 1.00 0.00 C ATOM 313 O SER A 22 -1.521 -8.490 -3.666 1.00 0.00 O ATOM 314 CB SER A 22 1.409 -8.616 -2.249 1.00 0.00 C ATOM 315 OG SER A 22 1.209 -8.792 -0.858 1.00 0.00 O ATOM 0 H SER A 22 1.131 -6.393 -1.159 1.00 0.00 H new ATOM 0 HA SER A 22 0.758 -7.352 -3.849 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.212 -9.553 -2.769 1.00 0.00 H new ATOM 0 HB3 SER A 22 2.451 -8.359 -2.440 1.00 0.00 H new ATOM 0 HG SER A 22 1.625 -8.050 -0.371 1.00 0.00 H new ATOM 321 N ILE A 23 -1.550 -7.697 -1.559 1.00 0.00 N ATOM 322 CA ILE A 23 -2.944 -8.043 -1.323 1.00 0.00 C ATOM 323 C ILE A 23 -3.870 -7.060 -2.025 1.00 0.00 C ATOM 324 O ILE A 23 -4.931 -7.429 -2.529 1.00 0.00 O ATOM 325 CB ILE A 23 -3.266 -8.082 0.189 1.00 0.00 C ATOM 326 CG1 ILE A 23 -4.104 -9.317 0.524 1.00 0.00 C ATOM 327 CG2 ILE A 23 -3.977 -6.813 0.644 1.00 0.00 C ATOM 328 CD1 ILE A 23 -3.276 -10.527 0.896 1.00 0.00 C ATOM 0 H ILE A 23 -1.087 -7.251 -0.767 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.108 -9.039 -1.734 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.321 -8.141 0.729 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.774 -9.078 1.350 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.730 -9.565 -0.333 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -4.187 -6.877 1.712 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.340 -5.950 0.450 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -4.913 -6.704 0.096 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.936 -11.365 1.121 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.624 -10.792 0.063 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -2.670 -10.298 1.772 1.00 0.00 H new ATOM 340 N TYR A 24 -3.451 -5.804 -2.043 1.00 0.00 N ATOM 341 CA TYR A 24 -4.218 -4.742 -2.671 1.00 0.00 C ATOM 342 C TYR A 24 -3.467 -4.139 -3.856 1.00 0.00 C ATOM 343 O TYR A 24 -2.797 -3.115 -3.719 1.00 0.00 O ATOM 344 CB TYR A 24 -4.545 -3.650 -1.663 1.00 0.00 C ATOM 345 CG TYR A 24 -5.224 -4.151 -0.410 1.00 0.00 C ATOM 346 CD1 TYR A 24 -6.398 -4.890 -0.478 1.00 0.00 C ATOM 347 CD2 TYR A 24 -4.690 -3.881 0.843 1.00 0.00 C ATOM 348 CE1 TYR A 24 -7.020 -5.347 0.668 1.00 0.00 C ATOM 349 CE2 TYR A 24 -5.306 -4.333 1.994 1.00 0.00 C ATOM 350 CZ TYR A 24 -6.470 -5.066 1.902 1.00 0.00 C ATOM 351 OH TYR A 24 -7.087 -5.519 3.045 1.00 0.00 O ATOM 0 H TYR A 24 -2.574 -5.494 -1.625 1.00 0.00 H new ATOM 0 HA TYR A 24 -5.145 -5.182 -3.038 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.623 -3.140 -1.385 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -5.187 -2.910 -2.140 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -6.832 -5.111 -1.442 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -3.778 -3.308 0.919 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -7.932 -5.921 0.598 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.878 -4.113 2.961 1.00 0.00 H new ATOM 0 HH TYR A 24 -6.571 -5.236 3.829 1.00 0.00 H new ATOM 361 N PRO A 25 -3.570 -4.764 -5.042 1.00 0.00 N ATOM 362 CA PRO A 25 -2.909 -4.290 -6.247 1.00 0.00 C ATOM 363 C PRO A 25 -3.744 -3.251 -6.992 1.00 0.00 C ATOM 364 O PRO A 25 -4.971 -3.246 -6.896 1.00 0.00 O ATOM 365 CB PRO A 25 -2.750 -5.559 -7.094 1.00 0.00 C ATOM 366 CG PRO A 25 -3.596 -6.617 -6.449 1.00 0.00 C ATOM 367 CD PRO A 25 -4.340 -5.978 -5.307 1.00 0.00 C ATOM 0 HA PRO A 25 -1.965 -3.793 -6.025 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -3.069 -5.381 -8.121 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -1.706 -5.869 -7.134 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -4.295 -7.040 -7.171 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -2.974 -7.437 -6.089 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -5.371 -5.750 -5.576 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -4.375 -6.630 -4.435 1.00 0.00 H new ATOM 375 N PRO A 26 -3.088 -2.353 -7.747 1.00 0.00 N ATOM 376 CA PRO A 26 -3.778 -1.307 -8.510 1.00 0.00 C ATOM 377 C PRO A 26 -4.632 -1.872 -9.641 1.00 0.00 C ATOM 378 O PRO A 26 -5.466 -1.169 -10.211 1.00 0.00 O ATOM 379 CB PRO A 26 -2.638 -0.459 -9.073 1.00 0.00 C ATOM 380 CG PRO A 26 -1.467 -1.372 -9.101 1.00 0.00 C ATOM 381 CD PRO A 26 -1.627 -2.286 -7.920 1.00 0.00 C ATOM 0 HA PRO A 26 -4.474 -0.747 -7.885 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -2.875 -0.089 -10.070 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -2.446 0.412 -8.447 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -1.436 -1.939 -10.032 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -0.534 -0.812 -9.038 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -1.198 -3.270 -8.110 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -1.134 -1.889 -7.033 1.00 0.00 H new ATOM 389 N CYS A 27 -4.419 -3.144 -9.961 1.00 0.00 N ATOM 390 CA CYS A 27 -5.170 -3.800 -11.024 1.00 0.00 C ATOM 391 C CYS A 27 -6.652 -3.886 -10.675 1.00 0.00 C ATOM 392 O CYS A 27 -7.101 -4.854 -10.060 1.00 0.00 O ATOM 393 CB CYS A 27 -4.609 -5.197 -11.283 1.00 0.00 C ATOM 394 SG CYS A 27 -3.943 -5.427 -12.948 1.00 0.00 S ATOM 0 H CYS A 27 -3.733 -3.741 -9.499 1.00 0.00 H new ATOM 0 HA CYS A 27 -5.067 -3.202 -11.930 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -3.822 -5.401 -10.557 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -5.397 -5.931 -11.114 1.00 0.00 H new ATOM 0 HG CYS A 27 -3.490 -6.639 -13.070 1.00 0.00 H new ATOM 400 N GLY A 28 -7.408 -2.867 -11.071 1.00 0.00 N ATOM 401 CA GLY A 28 -8.832 -2.848 -10.792 1.00 0.00 C ATOM 402 C GLY A 28 -9.134 -2.900 -9.307 1.00 0.00 C ATOM 403 O GLY A 28 -9.827 -3.804 -8.839 1.00 0.00 O ATOM 0 H GLY A 28 -7.060 -2.054 -11.580 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -9.270 -1.945 -11.217 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -9.307 -3.696 -11.286 1.00 0.00 H new ATOM 407 N ARG A 29 -8.614 -1.928 -8.565 1.00 0.00 N ATOM 408 CA ARG A 29 -8.831 -1.867 -7.124 1.00 0.00 C ATOM 409 C ARG A 29 -10.319 -1.768 -6.802 1.00 0.00 C ATOM 410 O ARG A 29 -10.994 -0.827 -7.221 1.00 0.00 O ATOM 411 CB ARG A 29 -8.087 -0.672 -6.525 1.00 0.00 C ATOM 412 CG ARG A 29 -8.093 -0.651 -5.006 1.00 0.00 C ATOM 413 CD ARG A 29 -6.843 -1.300 -4.434 1.00 0.00 C ATOM 414 NE ARG A 29 -6.351 -0.596 -3.253 1.00 0.00 N ATOM 415 CZ ARG A 29 -5.667 0.545 -3.301 1.00 0.00 C ATOM 416 NH1 ARG A 29 -5.393 1.113 -4.469 1.00 0.00 N ATOM 417 NH2 ARG A 29 -5.257 1.120 -2.179 1.00 0.00 N ATOM 0 H ARG A 29 -8.040 -1.172 -8.937 1.00 0.00 H new ATOM 0 HA ARG A 29 -8.442 -2.785 -6.684 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.055 -0.684 -6.876 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -8.538 0.249 -6.895 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -8.162 0.379 -4.656 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -8.976 -1.173 -4.638 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.059 -2.336 -4.174 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.063 -1.319 -5.196 1.00 0.00 H new ATOM 0 HE ARG A 29 -6.543 -1.002 -2.337 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.707 0.675 -5.335 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.869 1.987 -4.500 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -5.466 0.688 -1.279 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -4.733 1.994 -2.216 1.00 0.00 H new ATOM 431 N ARG A 30 -10.825 -2.744 -6.055 1.00 0.00 N ATOM 432 CA ARG A 30 -12.233 -2.767 -5.677 1.00 0.00 C ATOM 433 C ARG A 30 -12.600 -1.526 -4.868 1.00 0.00 C ATOM 434 O ARG A 30 -11.755 -0.945 -4.186 1.00 0.00 O ATOM 435 CB ARG A 30 -12.545 -4.027 -4.868 1.00 0.00 C ATOM 436 CG ARG A 30 -12.537 -5.300 -5.698 1.00 0.00 C ATOM 437 CD ARG A 30 -12.292 -6.527 -4.834 1.00 0.00 C ATOM 438 NE ARG A 30 -12.880 -7.732 -5.414 1.00 0.00 N ATOM 439 CZ ARG A 30 -12.337 -8.410 -6.423 1.00 0.00 C ATOM 440 NH1 ARG A 30 -11.196 -8.005 -6.966 1.00 0.00 N ATOM 441 NH2 ARG A 30 -12.937 -9.496 -6.890 1.00 0.00 N ATOM 0 H ARG A 30 -10.280 -3.530 -5.699 1.00 0.00 H new ATOM 0 HA ARG A 30 -12.828 -2.773 -6.590 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -11.815 -4.123 -4.064 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -13.523 -3.915 -4.399 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -13.490 -5.403 -6.217 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -11.763 -5.232 -6.463 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -11.219 -6.672 -4.707 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -12.711 -6.361 -3.842 1.00 0.00 H new ATOM 0 HE ARG A 30 -13.758 -8.074 -5.023 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -10.730 -7.170 -6.611 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -10.785 -8.529 -7.739 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -13.814 -9.812 -6.476 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -12.521 -10.016 -7.663 1.00 0.00 H new ATOM 455 N LYS A 31 -13.865 -1.127 -4.947 1.00 0.00 N ATOM 456 CA LYS A 31 -14.345 0.038 -4.224 1.00 0.00 C ATOM 457 C LYS A 31 -15.821 -0.110 -3.868 1.00 0.00 C ATOM 458 O LYS A 31 -16.441 -1.132 -4.161 1.00 0.00 O ATOM 459 CB LYS A 31 -14.129 1.307 -5.052 1.00 0.00 C ATOM 460 CG LYS A 31 -12.800 1.992 -4.781 1.00 0.00 C ATOM 461 CD LYS A 31 -12.229 2.620 -6.042 1.00 0.00 C ATOM 462 CE LYS A 31 -12.677 4.065 -6.195 1.00 0.00 C ATOM 463 NZ LYS A 31 -12.171 4.672 -7.457 1.00 0.00 N ATOM 0 H LYS A 31 -14.576 -1.597 -5.507 1.00 0.00 H new ATOM 0 HA LYS A 31 -13.775 0.118 -3.298 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -14.189 1.054 -6.111 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -14.938 2.008 -4.845 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -12.934 2.760 -4.019 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -12.091 1.267 -4.381 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -11.140 2.577 -6.011 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -12.546 2.045 -6.912 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -13.766 4.111 -6.181 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -12.322 4.647 -5.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -12.498 5.657 -7.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -11.131 4.651 -7.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -12.530 4.132 -8.270 1.00 0.00 H new ATOM 477 N ILE A 32 -16.378 0.919 -3.236 1.00 0.00 N ATOM 478 CA ILE A 32 -17.778 0.908 -2.841 1.00 0.00 C ATOM 479 C ILE A 32 -18.322 2.328 -2.722 1.00 0.00 C ATOM 480 O ILE A 32 -17.740 3.170 -2.039 1.00 0.00 O ATOM 481 CB ILE A 32 -18.000 0.169 -1.504 1.00 0.00 C ATOM 482 CG1 ILE A 32 -16.728 -0.557 -1.055 1.00 0.00 C ATOM 483 CG2 ILE A 32 -19.157 -0.812 -1.626 1.00 0.00 C ATOM 484 CD1 ILE A 32 -16.853 -1.210 0.304 1.00 0.00 C ATOM 0 H ILE A 32 -15.877 1.772 -2.987 1.00 0.00 H new ATOM 0 HA ILE A 32 -18.316 0.373 -3.624 1.00 0.00 H new ATOM 0 HB ILE A 32 -18.248 0.912 -0.746 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -16.474 -1.318 -1.793 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -15.902 0.154 -1.033 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -19.301 -1.325 -0.675 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -20.066 -0.271 -1.888 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -18.934 -1.543 -2.403 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -15.916 -1.705 0.557 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -17.076 -0.451 1.053 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -17.657 -1.945 0.282 1.00 0.00 H new ATOM 496 N ILE A 33 -19.440 2.587 -3.391 1.00 0.00 N ATOM 497 CA ILE A 33 -20.060 3.904 -3.359 1.00 0.00 C ATOM 498 C ILE A 33 -20.829 4.119 -2.061 1.00 0.00 C ATOM 499 O ILE A 33 -21.292 3.164 -1.437 1.00 0.00 O ATOM 500 CB ILE A 33 -21.013 4.129 -4.548 1.00 0.00 C ATOM 501 CG1 ILE A 33 -20.597 3.294 -5.765 1.00 0.00 C ATOM 502 CG2 ILE A 33 -21.063 5.605 -4.911 1.00 0.00 C ATOM 503 CD1 ILE A 33 -19.128 3.415 -6.113 1.00 0.00 C ATOM 0 H ILE A 33 -19.935 1.901 -3.962 1.00 0.00 H new ATOM 0 HA ILE A 33 -19.245 4.625 -3.427 1.00 0.00 H new ATOM 0 HB ILE A 33 -22.008 3.804 -4.246 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -20.831 2.247 -5.573 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -21.192 3.601 -6.625 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -21.740 5.750 -5.753 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -21.420 6.178 -4.055 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -20.065 5.946 -5.185 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -18.908 2.797 -6.984 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -18.892 4.455 -6.337 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -18.525 3.080 -5.269 1.00 0.00 H new ATOM 515 N LEU A 34 -20.962 5.379 -1.658 1.00 0.00 N ATOM 516 CA LEU A 34 -21.673 5.719 -0.438 1.00 0.00 C ATOM 517 C LEU A 34 -23.106 6.150 -0.739 1.00 0.00 C ATOM 518 O LEU A 34 -23.987 6.052 0.115 1.00 0.00 O ATOM 519 CB LEU A 34 -20.942 6.826 0.336 1.00 0.00 C ATOM 520 CG LEU A 34 -19.918 7.635 -0.466 1.00 0.00 C ATOM 521 CD1 LEU A 34 -20.617 8.518 -1.489 1.00 0.00 C ATOM 522 CD2 LEU A 34 -19.056 8.473 0.467 1.00 0.00 C ATOM 0 H LEU A 34 -20.584 6.181 -2.163 1.00 0.00 H new ATOM 0 HA LEU A 34 -21.704 4.824 0.183 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -21.686 7.514 0.738 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -20.433 6.373 1.187 1.00 0.00 H new ATOM 0 HG LEU A 34 -19.271 6.940 -1.001 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -19.873 9.085 -2.049 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -21.191 7.895 -2.175 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -21.288 9.207 -0.977 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -18.333 9.042 -0.118 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -19.689 9.160 1.029 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -18.527 7.818 1.160 1.00 0.00 H new ATOM 534 N SER A 35 -23.331 6.624 -1.958 1.00 0.00 N ATOM 535 CA SER A 35 -24.656 7.068 -2.374 1.00 0.00 C ATOM 536 C SER A 35 -25.664 5.922 -2.310 1.00 0.00 C ATOM 537 O SER A 35 -26.872 6.149 -2.259 1.00 0.00 O ATOM 538 CB SER A 35 -24.603 7.641 -3.793 1.00 0.00 C ATOM 539 OG SER A 35 -23.405 7.266 -4.451 1.00 0.00 O ATOM 0 H SER A 35 -22.613 6.711 -2.677 1.00 0.00 H new ATOM 0 HA SER A 35 -24.981 7.849 -1.686 1.00 0.00 H new ATOM 0 HB2 SER A 35 -25.461 7.286 -4.364 1.00 0.00 H new ATOM 0 HB3 SER A 35 -24.674 8.728 -3.752 1.00 0.00 H new ATOM 0 HG SER A 35 -23.397 7.643 -5.356 1.00 0.00 H new ATOM 545 N ASP A 36 -25.158 4.693 -2.311 1.00 0.00 N ATOM 546 CA ASP A 36 -26.007 3.517 -2.252 1.00 0.00 C ATOM 547 C ASP A 36 -25.611 2.617 -1.086 1.00 0.00 C ATOM 548 O ASP A 36 -26.406 2.373 -0.179 1.00 0.00 O ATOM 549 CB ASP A 36 -25.932 2.737 -3.565 1.00 0.00 C ATOM 550 CG ASP A 36 -27.198 1.951 -3.845 1.00 0.00 C ATOM 551 OD1 ASP A 36 -27.516 1.037 -3.056 1.00 0.00 O ATOM 552 OD2 ASP A 36 -27.871 2.250 -4.854 1.00 0.00 O ATOM 0 H ASP A 36 -24.159 4.489 -2.352 1.00 0.00 H new ATOM 0 HA ASP A 36 -27.033 3.850 -2.097 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -25.749 3.430 -4.386 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -25.084 2.053 -3.530 1.00 0.00 H new ATOM 557 N GLU A 37 -24.376 2.127 -1.117 1.00 0.00 N ATOM 558 CA GLU A 37 -23.874 1.254 -0.062 1.00 0.00 C ATOM 559 C GLU A 37 -23.789 1.994 1.268 1.00 0.00 C ATOM 560 O GLU A 37 -23.871 1.387 2.336 1.00 0.00 O ATOM 561 CB GLU A 37 -22.506 0.694 -0.443 1.00 0.00 C ATOM 562 CG GLU A 37 -22.485 -0.817 -0.579 1.00 0.00 C ATOM 563 CD GLU A 37 -22.115 -1.274 -1.977 1.00 0.00 C ATOM 564 OE1 GLU A 37 -22.500 -0.588 -2.948 1.00 0.00 O ATOM 565 OE2 GLU A 37 -21.440 -2.318 -2.102 1.00 0.00 O ATOM 0 H GLU A 37 -23.705 2.319 -1.861 1.00 0.00 H new ATOM 0 HA GLU A 37 -24.575 0.427 0.054 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -22.190 1.140 -1.386 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -21.778 0.993 0.311 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -21.773 -1.232 0.135 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -23.466 -1.215 -0.319 1.00 0.00 H new ATOM 572 N GLY A 38 -23.627 3.309 1.194 1.00 0.00 N ATOM 573 CA GLY A 38 -23.535 4.118 2.396 1.00 0.00 C ATOM 574 C GLY A 38 -22.442 3.649 3.336 1.00 0.00 C ATOM 575 O GLY A 38 -22.476 3.938 4.533 1.00 0.00 O ATOM 0 H GLY A 38 -23.557 3.832 0.321 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -23.348 5.155 2.117 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -24.492 4.095 2.918 1.00 0.00 H new ATOM 579 N LYS A 39 -21.465 2.936 2.792 1.00 0.00 N ATOM 580 CA LYS A 39 -20.354 2.439 3.574 1.00 0.00 C ATOM 581 C LYS A 39 -19.083 2.436 2.740 1.00 0.00 C ATOM 582 O LYS A 39 -18.767 1.456 2.065 1.00 0.00 O ATOM 583 CB LYS A 39 -20.650 1.031 4.093 1.00 0.00 C ATOM 584 CG LYS A 39 -19.573 0.484 5.015 1.00 0.00 C ATOM 585 CD LYS A 39 -19.975 -0.858 5.606 1.00 0.00 C ATOM 586 CE LYS A 39 -19.406 -2.014 4.800 1.00 0.00 C ATOM 587 NZ LYS A 39 -18.154 -2.549 5.402 1.00 0.00 N ATOM 0 H LYS A 39 -21.425 2.690 1.803 1.00 0.00 H new ATOM 0 HA LYS A 39 -20.211 3.099 4.429 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -21.601 1.041 4.625 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -20.767 0.357 3.244 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -18.640 0.374 4.462 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -19.385 1.195 5.819 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -19.624 -0.923 6.636 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -21.062 -0.933 5.635 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -20.147 -2.811 4.736 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -19.206 -1.682 3.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -17.799 -3.336 4.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -17.438 -1.796 5.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -18.350 -2.890 6.365 1.00 0.00 H new ATOM 601 N MET A 40 -18.357 3.538 2.803 1.00 0.00 N ATOM 602 CA MET A 40 -17.112 3.683 2.072 1.00 0.00 C ATOM 603 C MET A 40 -16.147 4.584 2.831 1.00 0.00 C ATOM 604 O MET A 40 -16.091 5.792 2.598 1.00 0.00 O ATOM 605 CB MET A 40 -17.375 4.250 0.675 1.00 0.00 C ATOM 606 CG MET A 40 -16.116 4.428 -0.159 1.00 0.00 C ATOM 607 SD MET A 40 -16.217 5.840 -1.276 1.00 0.00 S ATOM 608 CE MET A 40 -15.917 5.047 -2.853 1.00 0.00 C ATOM 0 H MET A 40 -18.613 4.354 3.360 1.00 0.00 H new ATOM 0 HA MET A 40 -16.659 2.697 1.970 1.00 0.00 H new ATOM 0 HB2 MET A 40 -18.060 3.587 0.146 1.00 0.00 H new ATOM 0 HB3 MET A 40 -17.875 5.213 0.772 1.00 0.00 H new ATOM 0 HG2 MET A 40 -15.260 4.555 0.504 1.00 0.00 H new ATOM 0 HG3 MET A 40 -15.938 3.523 -0.739 1.00 0.00 H new ATOM 0 HE1 MET A 40 -15.194 5.631 -3.422 1.00 0.00 H new ATOM 0 HE2 MET A 40 -15.523 4.044 -2.687 1.00 0.00 H new ATOM 0 HE3 MET A 40 -16.851 4.982 -3.411 1.00 0.00 H new ATOM 618 N TYR A 41 -15.389 3.986 3.739 1.00 0.00 N ATOM 619 CA TYR A 41 -14.423 4.723 4.538 1.00 0.00 C ATOM 620 C TYR A 41 -13.139 4.970 3.752 1.00 0.00 C ATOM 621 O TYR A 41 -13.046 4.627 2.573 1.00 0.00 O ATOM 622 CB TYR A 41 -14.113 3.966 5.827 1.00 0.00 C ATOM 623 CG TYR A 41 -14.496 4.721 7.080 1.00 0.00 C ATOM 624 CD1 TYR A 41 -15.776 4.619 7.612 1.00 0.00 C ATOM 625 CD2 TYR A 41 -13.578 5.536 7.731 1.00 0.00 C ATOM 626 CE1 TYR A 41 -16.129 5.308 8.756 1.00 0.00 C ATOM 627 CE2 TYR A 41 -13.924 6.227 8.876 1.00 0.00 C ATOM 628 CZ TYR A 41 -15.201 6.110 9.385 1.00 0.00 C ATOM 629 OH TYR A 41 -15.549 6.797 10.524 1.00 0.00 O ATOM 0 H TYR A 41 -15.426 2.987 3.941 1.00 0.00 H new ATOM 0 HA TYR A 41 -14.860 5.689 4.791 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -14.639 3.011 5.813 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -13.047 3.742 5.859 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -16.506 3.991 7.123 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -12.578 5.631 7.335 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -17.128 5.219 9.156 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -13.198 6.856 9.370 1.00 0.00 H new ATOM 0 HH TYR A 41 -14.780 7.314 10.842 1.00 0.00 H new ATOM 639 N GLY A 42 -12.151 5.564 4.412 1.00 0.00 N ATOM 640 CA GLY A 42 -10.886 5.844 3.758 1.00 0.00 C ATOM 641 C GLY A 42 -10.213 4.587 3.241 1.00 0.00 C ATOM 642 O GLY A 42 -9.962 3.652 4.000 1.00 0.00 O ATOM 0 H GLY A 42 -12.203 5.857 5.388 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.053 6.531 2.928 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -10.221 6.347 4.460 1.00 0.00 H new ATOM 646 N ARG A 43 -9.922 4.564 1.944 1.00 0.00 N ATOM 647 CA ARG A 43 -9.277 3.412 1.326 1.00 0.00 C ATOM 648 C ARG A 43 -7.930 3.121 1.976 1.00 0.00 C ATOM 649 O ARG A 43 -7.464 1.982 1.979 1.00 0.00 O ATOM 650 CB ARG A 43 -9.101 3.641 -0.173 1.00 0.00 C ATOM 651 CG ARG A 43 -9.861 2.645 -1.035 1.00 0.00 C ATOM 652 CD ARG A 43 -10.410 3.299 -2.294 1.00 0.00 C ATOM 653 NE ARG A 43 -9.696 2.865 -3.493 1.00 0.00 N ATOM 654 CZ ARG A 43 -8.522 3.361 -3.878 1.00 0.00 C ATOM 655 NH1 ARG A 43 -7.926 4.307 -3.163 1.00 0.00 N ATOM 656 NH2 ARG A 43 -7.942 2.909 -4.981 1.00 0.00 N ATOM 0 H ARG A 43 -10.123 5.330 1.301 1.00 0.00 H new ATOM 0 HA ARG A 43 -9.921 2.546 1.478 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -9.433 4.650 -0.419 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -8.040 3.586 -0.418 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -9.201 1.822 -1.310 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -10.681 2.216 -0.459 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -11.468 3.058 -2.395 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -10.337 4.383 -2.201 1.00 0.00 H new ATOM 0 HE ARG A 43 -10.122 2.139 -4.069 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -8.367 4.658 -2.313 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -7.027 4.683 -3.463 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -8.395 2.182 -5.534 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -7.043 3.289 -5.277 1.00 0.00 H new ATOM 670 N ASN A 44 -7.312 4.156 2.527 1.00 0.00 N ATOM 671 CA ASN A 44 -6.021 4.008 3.183 1.00 0.00 C ATOM 672 C ASN A 44 -6.144 3.139 4.425 1.00 0.00 C ATOM 673 O ASN A 44 -5.204 2.443 4.806 1.00 0.00 O ATOM 674 CB ASN A 44 -5.445 5.375 3.546 1.00 0.00 C ATOM 675 CG ASN A 44 -4.133 5.658 2.839 1.00 0.00 C ATOM 676 OD1 ASN A 44 -3.382 4.741 2.510 1.00 0.00 O ATOM 677 ND2 ASN A 44 -3.852 6.934 2.603 1.00 0.00 N ATOM 0 H ASN A 44 -7.683 5.106 2.533 1.00 0.00 H new ATOM 0 HA ASN A 44 -5.340 3.518 2.487 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -6.167 6.150 3.289 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -5.292 5.427 4.624 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -2.984 7.186 2.131 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -4.505 7.662 2.894 1.00 0.00 H new ATOM 684 N GLU A 45 -7.315 3.172 5.043 1.00 0.00 N ATOM 685 CA GLU A 45 -7.565 2.372 6.232 1.00 0.00 C ATOM 686 C GLU A 45 -7.473 0.892 5.892 1.00 0.00 C ATOM 687 O GLU A 45 -7.126 0.067 6.736 1.00 0.00 O ATOM 688 CB GLU A 45 -8.939 2.696 6.823 1.00 0.00 C ATOM 689 CG GLU A 45 -9.018 4.077 7.454 1.00 0.00 C ATOM 690 CD GLU A 45 -10.225 4.235 8.358 1.00 0.00 C ATOM 691 OE1 GLU A 45 -10.755 3.206 8.826 1.00 0.00 O ATOM 692 OE2 GLU A 45 -10.639 5.389 8.600 1.00 0.00 O ATOM 0 H GLU A 45 -8.105 3.743 4.742 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.807 2.613 6.978 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.691 2.621 6.037 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.188 1.947 7.575 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.111 4.262 8.029 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.056 4.831 6.667 1.00 0.00 H new ATOM 699 N LEU A 46 -7.769 0.572 4.639 1.00 0.00 N ATOM 700 CA LEU A 46 -7.704 -0.800 4.164 1.00 0.00 C ATOM 701 C LEU A 46 -6.276 -1.292 4.187 1.00 0.00 C ATOM 702 O LEU A 46 -5.934 -2.244 4.889 1.00 0.00 O ATOM 703 CB LEU A 46 -8.250 -0.892 2.749 1.00 0.00 C ATOM 704 CG LEU A 46 -8.359 -2.307 2.171 1.00 0.00 C ATOM 705 CD1 LEU A 46 -8.934 -3.272 3.197 1.00 0.00 C ATOM 706 CD2 LEU A 46 -9.209 -2.301 0.910 1.00 0.00 C ATOM 0 H LEU A 46 -8.057 1.249 3.932 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.309 -1.423 4.822 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -9.239 -0.434 2.730 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.612 -0.299 2.093 1.00 0.00 H new ATOM 0 HG LEU A 46 -7.356 -2.647 1.913 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -9.001 -4.269 2.761 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -8.285 -3.301 4.073 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.928 -2.938 3.493 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.277 -3.313 0.512 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -10.209 -1.937 1.147 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.752 -1.648 0.166 1.00 0.00 H new ATOM 718 N ILE A 47 -5.447 -0.622 3.413 1.00 0.00 N ATOM 719 CA ILE A 47 -4.038 -0.963 3.326 1.00 0.00 C ATOM 720 C ILE A 47 -3.364 -0.784 4.674 1.00 0.00 C ATOM 721 O ILE A 47 -2.433 -1.513 5.016 1.00 0.00 O ATOM 722 CB ILE A 47 -3.295 -0.117 2.266 1.00 0.00 C ATOM 723 CG1 ILE A 47 -4.029 1.199 1.986 1.00 0.00 C ATOM 724 CG2 ILE A 47 -3.120 -0.911 0.981 1.00 0.00 C ATOM 725 CD1 ILE A 47 -3.156 2.255 1.346 1.00 0.00 C ATOM 0 H ILE A 47 -5.725 0.168 2.831 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.985 -2.008 3.021 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.311 0.128 2.665 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -4.880 0.999 1.335 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -4.429 1.589 2.922 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -2.595 -0.301 0.245 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.541 -1.811 1.186 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.098 -1.190 0.590 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.742 3.158 1.177 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.319 2.484 2.006 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.777 1.885 0.393 1.00 0.00 H new ATOM 737 N ALA A 48 -3.848 0.179 5.442 1.00 0.00 N ATOM 738 CA ALA A 48 -3.301 0.442 6.758 1.00 0.00 C ATOM 739 C ALA A 48 -3.801 -0.586 7.759 1.00 0.00 C ATOM 740 O ALA A 48 -3.127 -0.892 8.742 1.00 0.00 O ATOM 741 CB ALA A 48 -3.649 1.852 7.212 1.00 0.00 C ATOM 0 H ALA A 48 -4.619 0.790 5.174 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.215 0.362 6.701 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.229 2.029 8.202 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.235 2.574 6.508 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -4.732 1.964 7.252 1.00 0.00 H new ATOM 747 N ARG A 49 -4.981 -1.132 7.491 1.00 0.00 N ATOM 748 CA ARG A 49 -5.559 -2.141 8.360 1.00 0.00 C ATOM 749 C ARG A 49 -4.784 -3.442 8.234 1.00 0.00 C ATOM 750 O ARG A 49 -4.704 -4.226 9.180 1.00 0.00 O ATOM 751 CB ARG A 49 -7.034 -2.367 8.020 1.00 0.00 C ATOM 752 CG ARG A 49 -7.984 -1.492 8.822 1.00 0.00 C ATOM 753 CD ARG A 49 -8.534 -2.230 10.031 1.00 0.00 C ATOM 754 NE ARG A 49 -9.915 -1.852 10.322 1.00 0.00 N ATOM 755 CZ ARG A 49 -10.279 -0.647 10.753 1.00 0.00 C ATOM 756 NH1 ARG A 49 -9.368 0.300 10.946 1.00 0.00 N ATOM 757 NH2 ARG A 49 -11.557 -0.386 10.993 1.00 0.00 N ATOM 0 H ARG A 49 -5.552 -0.892 6.681 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.496 -1.789 9.390 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.187 -2.176 6.958 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -7.282 -3.414 8.195 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -7.463 -0.592 9.150 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -8.808 -1.169 8.186 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -8.482 -3.304 9.854 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -7.910 -2.019 10.899 1.00 0.00 H new ATOM 0 HE ARG A 49 -10.643 -2.553 10.187 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -8.383 0.105 10.764 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -9.653 1.222 11.277 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -12.261 -1.109 10.847 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -11.836 0.538 11.323 1.00 0.00 H new ATOM 771 N TYR A 50 -4.200 -3.655 7.062 1.00 0.00 N ATOM 772 CA TYR A 50 -3.414 -4.850 6.813 1.00 0.00 C ATOM 773 C TYR A 50 -2.132 -4.818 7.616 1.00 0.00 C ATOM 774 O TYR A 50 -1.825 -5.743 8.368 1.00 0.00 O ATOM 775 CB TYR A 50 -3.086 -4.975 5.337 1.00 0.00 C ATOM 776 CG TYR A 50 -2.702 -6.376 4.924 1.00 0.00 C ATOM 777 CD1 TYR A 50 -1.492 -6.924 5.326 1.00 0.00 C ATOM 778 CD2 TYR A 50 -3.546 -7.150 4.138 1.00 0.00 C ATOM 779 CE1 TYR A 50 -1.131 -8.204 4.956 1.00 0.00 C ATOM 780 CE2 TYR A 50 -3.192 -8.433 3.764 1.00 0.00 C ATOM 781 CZ TYR A 50 -1.984 -8.955 4.175 1.00 0.00 C ATOM 782 OH TYR A 50 -1.628 -10.231 3.805 1.00 0.00 O ATOM 0 H TYR A 50 -4.257 -3.014 6.271 1.00 0.00 H new ATOM 0 HA TYR A 50 -4.005 -5.713 7.120 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.949 -4.656 4.752 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.268 -4.296 5.095 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -0.822 -6.339 5.939 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.493 -6.744 3.814 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.185 -8.615 5.277 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.859 -9.023 3.153 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.364 -10.847 4.005 1.00 0.00 H new ATOM 792 N ILE A 51 -1.390 -3.741 7.448 1.00 0.00 N ATOM 793 CA ILE A 51 -0.133 -3.567 8.157 1.00 0.00 C ATOM 794 C ILE A 51 -0.365 -3.540 9.661 1.00 0.00 C ATOM 795 O ILE A 51 0.498 -3.942 10.442 1.00 0.00 O ATOM 796 CB ILE A 51 0.618 -2.285 7.730 1.00 0.00 C ATOM 797 CG1 ILE A 51 -0.318 -1.287 7.041 1.00 0.00 C ATOM 798 CG2 ILE A 51 1.781 -2.638 6.816 1.00 0.00 C ATOM 799 CD1 ILE A 51 0.231 0.122 6.992 1.00 0.00 C ATOM 0 H ILE A 51 -1.635 -2.971 6.826 1.00 0.00 H new ATOM 0 HA ILE A 51 0.491 -4.421 7.894 1.00 0.00 H new ATOM 0 HB ILE A 51 1.004 -1.808 8.631 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.514 -1.627 6.024 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.274 -1.278 7.564 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.302 -1.727 6.522 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.471 -3.297 7.343 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.404 -3.144 5.927 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -0.484 0.774 6.491 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.401 0.482 8.007 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.173 0.127 6.443 1.00 0.00 H new ATOM 811 N LYS A 52 -1.540 -3.073 10.057 1.00 0.00 N ATOM 812 CA LYS A 52 -1.897 -3.003 11.465 1.00 0.00 C ATOM 813 C LYS A 52 -2.133 -4.400 12.029 1.00 0.00 C ATOM 814 O LYS A 52 -1.941 -4.642 13.220 1.00 0.00 O ATOM 815 CB LYS A 52 -3.146 -2.141 11.659 1.00 0.00 C ATOM 816 CG LYS A 52 -3.248 -1.520 13.042 1.00 0.00 C ATOM 817 CD LYS A 52 -3.506 -2.572 14.108 1.00 0.00 C ATOM 818 CE LYS A 52 -4.363 -2.023 15.237 1.00 0.00 C ATOM 819 NZ LYS A 52 -5.734 -1.672 14.775 1.00 0.00 N ATOM 0 H LYS A 52 -2.263 -2.736 9.421 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.068 -2.545 12.004 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.149 -1.347 10.912 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.030 -2.752 11.478 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.325 -0.987 13.271 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -4.052 -0.784 13.053 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.002 -3.433 13.659 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.556 -2.925 14.510 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.427 -2.762 16.036 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -3.885 -1.139 15.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -6.398 -1.745 15.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.738 -0.699 14.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -6.024 -2.327 14.021 1.00 0.00 H new ATOM 833 N LEU A 53 -2.550 -5.313 11.161 1.00 0.00 N ATOM 834 CA LEU A 53 -2.814 -6.686 11.559 1.00 0.00 C ATOM 835 C LEU A 53 -1.542 -7.532 11.518 1.00 0.00 C ATOM 836 O LEU A 53 -1.482 -8.607 12.115 1.00 0.00 O ATOM 837 CB LEU A 53 -3.882 -7.302 10.651 1.00 0.00 C ATOM 838 CG LEU A 53 -5.173 -7.719 11.360 1.00 0.00 C ATOM 839 CD1 LEU A 53 -6.389 -7.200 10.607 1.00 0.00 C ATOM 840 CD2 LEU A 53 -5.239 -9.232 11.504 1.00 0.00 C ATOM 0 H LEU A 53 -2.713 -5.124 10.172 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.178 -6.673 12.586 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.130 -6.584 9.869 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.458 -8.176 10.158 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.174 -7.279 12.357 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -7.297 -7.507 11.126 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -6.349 -6.112 10.558 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.393 -7.609 9.597 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.164 -9.509 12.010 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.214 -9.693 10.517 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.387 -9.579 12.089 1.00 0.00 H new ATOM 852 N ARG A 54 -0.530 -7.044 10.806 1.00 0.00 N ATOM 853 CA ARG A 54 0.737 -7.759 10.681 1.00 0.00 C ATOM 854 C ARG A 54 1.314 -8.111 12.044 1.00 0.00 C ATOM 855 O ARG A 54 1.534 -9.281 12.359 1.00 0.00 O ATOM 856 CB ARG A 54 1.744 -6.921 9.891 1.00 0.00 C ATOM 857 CG ARG A 54 2.855 -7.742 9.258 1.00 0.00 C ATOM 858 CD ARG A 54 2.405 -8.374 7.951 1.00 0.00 C ATOM 859 NE ARG A 54 2.926 -9.730 7.790 1.00 0.00 N ATOM 860 CZ ARG A 54 4.170 -10.005 7.404 1.00 0.00 C ATOM 861 NH1 ARG A 54 5.023 -9.022 7.139 1.00 0.00 N ATOM 862 NH2 ARG A 54 4.563 -11.265 7.283 1.00 0.00 N ATOM 0 H ARG A 54 -0.563 -6.155 10.306 1.00 0.00 H new ATOM 0 HA ARG A 54 0.541 -8.688 10.145 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.216 -6.376 9.109 1.00 0.00 H new ATOM 0 HB3 ARG A 54 2.186 -6.178 10.555 1.00 0.00 H new ATOM 0 HG2 ARG A 54 3.721 -7.105 9.076 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.172 -8.522 9.950 1.00 0.00 H new ATOM 0 HD2 ARG A 54 1.316 -8.398 7.916 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.737 -7.757 7.117 1.00 0.00 H new ATOM 0 HE ARG A 54 2.300 -10.511 7.985 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.726 -8.051 7.231 1.00 0.00 H new ATOM 0 HH12 ARG A 54 5.975 -9.239 6.844 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.912 -12.024 7.486 1.00 0.00 H new ATOM 0 HH22 ARG A 54 5.516 -11.476 6.987 1.00 0.00 H new ATOM 876 N THR A 55 1.558 -7.090 12.844 1.00 0.00 N ATOM 877 CA THR A 55 2.113 -7.273 14.177 1.00 0.00 C ATOM 878 C THR A 55 1.916 -6.026 15.033 1.00 0.00 C ATOM 879 O THR A 55 2.716 -5.742 15.925 1.00 0.00 O ATOM 880 CB THR A 55 3.601 -7.616 14.086 1.00 0.00 C ATOM 881 OG1 THR A 55 4.122 -7.933 15.364 1.00 0.00 O ATOM 882 CG2 THR A 55 4.441 -6.494 13.513 1.00 0.00 C ATOM 0 H THR A 55 1.380 -6.117 12.594 1.00 0.00 H new ATOM 0 HA THR A 55 1.583 -8.098 14.652 1.00 0.00 H new ATOM 0 HB THR A 55 3.659 -8.471 13.413 1.00 0.00 H new ATOM 0 HG1 THR A 55 3.906 -7.213 15.993 1.00 0.00 H new ATOM 0 HG21 THR A 55 5.485 -6.804 13.476 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.097 -6.259 12.506 1.00 0.00 H new ATOM 0 HG23 THR A 55 4.346 -5.610 14.144 1.00 0.00 H new ATOM 890 N GLY A 56 0.847 -5.285 14.758 1.00 0.00 N ATOM 891 CA GLY A 56 0.567 -4.079 15.514 1.00 0.00 C ATOM 892 C GLY A 56 1.645 -3.021 15.358 1.00 0.00 C ATOM 893 O GLY A 56 1.688 -2.056 16.121 1.00 0.00 O ATOM 0 H GLY A 56 0.170 -5.499 14.025 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -0.389 -3.667 15.191 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.464 -4.333 16.569 1.00 0.00 H new ATOM 897 N LYS A 57 2.515 -3.198 14.368 1.00 0.00 N ATOM 898 CA LYS A 57 3.591 -2.251 14.118 1.00 0.00 C ATOM 899 C LYS A 57 3.054 -0.988 13.455 1.00 0.00 C ATOM 900 O LYS A 57 1.842 -0.805 13.340 1.00 0.00 O ATOM 901 CB LYS A 57 4.668 -2.890 13.245 1.00 0.00 C ATOM 902 CG LYS A 57 6.007 -3.048 13.947 1.00 0.00 C ATOM 903 CD LYS A 57 6.581 -1.703 14.361 1.00 0.00 C ATOM 904 CE LYS A 57 7.709 -1.866 15.368 1.00 0.00 C ATOM 905 NZ LYS A 57 9.039 -1.946 14.704 1.00 0.00 N ATOM 0 H LYS A 57 2.494 -3.991 13.726 1.00 0.00 H new ATOM 0 HA LYS A 57 4.034 -1.975 15.075 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.322 -3.870 12.915 1.00 0.00 H new ATOM 0 HB3 LYS A 57 4.806 -2.283 12.350 1.00 0.00 H new ATOM 0 HG2 LYS A 57 5.885 -3.679 14.827 1.00 0.00 H new ATOM 0 HG3 LYS A 57 6.708 -3.556 13.285 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.951 -1.177 13.481 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.792 -1.087 14.793 1.00 0.00 H new ATOM 0 HE2 LYS A 57 7.700 -1.026 16.062 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.542 -2.768 15.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 9.781 -2.057 15.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 9.057 -2.763 14.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 9.210 -1.075 14.163 1.00 0.00 H new ATOM 919 N THR A 58 3.961 -0.118 13.015 1.00 0.00 N ATOM 920 CA THR A 58 3.571 1.127 12.358 1.00 0.00 C ATOM 921 C THR A 58 2.519 0.864 11.283 1.00 0.00 C ATOM 922 O THR A 58 2.286 -0.283 10.901 1.00 0.00 O ATOM 923 CB THR A 58 4.798 1.809 11.743 1.00 0.00 C ATOM 924 OG1 THR A 58 4.496 3.143 11.369 1.00 0.00 O ATOM 925 CG2 THR A 58 5.335 1.097 10.518 1.00 0.00 C ATOM 0 H THR A 58 4.968 -0.252 13.101 1.00 0.00 H new ATOM 0 HA THR A 58 3.138 1.790 13.107 1.00 0.00 H new ATOM 0 HB THR A 58 5.562 1.779 12.520 1.00 0.00 H new ATOM 0 HG1 THR A 58 5.292 3.562 10.980 1.00 0.00 H new ATOM 0 HG21 THR A 58 6.203 1.635 10.136 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.627 0.082 10.786 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.563 1.062 9.750 1.00 0.00 H new ATOM 933 N ARG A 59 1.895 1.927 10.790 1.00 0.00 N ATOM 934 CA ARG A 59 0.887 1.799 9.758 1.00 0.00 C ATOM 935 C ARG A 59 0.770 3.090 8.964 1.00 0.00 C ATOM 936 O ARG A 59 -0.252 3.775 9.008 1.00 0.00 O ATOM 937 CB ARG A 59 -0.466 1.432 10.373 1.00 0.00 C ATOM 938 CG ARG A 59 -0.944 2.421 11.424 1.00 0.00 C ATOM 939 CD ARG A 59 -0.505 2.007 12.819 1.00 0.00 C ATOM 940 NE ARG A 59 -1.488 2.375 13.835 1.00 0.00 N ATOM 941 CZ ARG A 59 -1.233 2.395 15.141 1.00 0.00 C ATOM 942 NH1 ARG A 59 -0.029 2.068 15.595 1.00 0.00 N ATOM 943 NH2 ARG A 59 -2.185 2.742 15.997 1.00 0.00 N ATOM 0 H ARG A 59 2.073 2.885 11.092 1.00 0.00 H new ATOM 0 HA ARG A 59 1.190 1.001 9.081 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -1.211 1.369 9.580 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -0.395 0.442 10.823 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -0.552 3.412 11.197 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -2.031 2.493 11.390 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.345 0.929 12.843 1.00 0.00 H new ATOM 0 HD3 ARG A 59 0.451 2.477 13.052 1.00 0.00 H new ATOM 0 HE ARG A 59 -2.425 2.632 13.525 1.00 0.00 H new ATOM 0 HH11 ARG A 59 0.707 1.800 14.942 1.00 0.00 H new ATOM 0 HH12 ARG A 59 0.160 2.085 16.597 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.112 2.993 15.654 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -1.990 2.757 16.998 1.00 0.00 H new ATOM 957 N THR A 60 1.825 3.409 8.232 1.00 0.00 N ATOM 958 CA THR A 60 1.851 4.612 7.412 1.00 0.00 C ATOM 959 C THR A 60 0.787 4.531 6.321 1.00 0.00 C ATOM 960 O THR A 60 0.491 3.450 5.814 1.00 0.00 O ATOM 961 CB THR A 60 3.235 4.804 6.786 1.00 0.00 C ATOM 962 OG1 THR A 60 3.985 3.603 6.846 1.00 0.00 O ATOM 963 CG2 THR A 60 4.051 5.887 7.459 1.00 0.00 C ATOM 0 H THR A 60 2.677 2.851 8.188 1.00 0.00 H new ATOM 0 HA THR A 60 1.636 5.469 8.050 1.00 0.00 H new ATOM 0 HB THR A 60 3.046 5.100 5.754 1.00 0.00 H new ATOM 0 HG1 THR A 60 3.699 3.003 6.126 1.00 0.00 H new ATOM 0 HG21 THR A 60 5.020 5.971 6.967 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.523 6.838 7.387 1.00 0.00 H new ATOM 0 HG23 THR A 60 4.198 5.633 8.509 1.00 0.00 H new ATOM 971 N ARG A 61 0.208 5.674 5.967 1.00 0.00 N ATOM 972 CA ARG A 61 -0.822 5.716 4.944 1.00 0.00 C ATOM 973 C ARG A 61 -0.320 6.402 3.684 1.00 0.00 C ATOM 974 O ARG A 61 -0.685 6.028 2.569 1.00 0.00 O ATOM 975 CB ARG A 61 -2.070 6.427 5.470 1.00 0.00 C ATOM 976 CG ARG A 61 -1.766 7.705 6.235 1.00 0.00 C ATOM 977 CD ARG A 61 -2.881 8.726 6.080 1.00 0.00 C ATOM 978 NE ARG A 61 -2.626 9.938 6.855 1.00 0.00 N ATOM 979 CZ ARG A 61 -2.802 10.026 8.172 1.00 0.00 C ATOM 980 NH1 ARG A 61 -3.233 8.978 8.862 1.00 0.00 N ATOM 981 NH2 ARG A 61 -2.545 11.165 8.800 1.00 0.00 N ATOM 0 H ARG A 61 0.437 6.581 6.375 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.081 4.688 4.690 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.724 6.663 4.631 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.619 5.746 6.120 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.627 7.474 7.291 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.829 8.131 5.876 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.991 8.986 5.027 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.825 8.283 6.399 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.294 10.765 6.358 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.431 8.099 8.384 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -3.366 9.051 9.871 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.213 11.973 8.274 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.680 11.233 9.809 1.00 0.00 H new ATOM 995 N LYS A 62 0.517 7.408 3.870 1.00 0.00 N ATOM 996 CA LYS A 62 1.075 8.154 2.754 1.00 0.00 C ATOM 997 C LYS A 62 2.157 7.350 2.049 1.00 0.00 C ATOM 998 O LYS A 62 2.367 7.493 0.844 1.00 0.00 O ATOM 999 CB LYS A 62 1.634 9.491 3.235 1.00 0.00 C ATOM 1000 CG LYS A 62 1.018 10.694 2.541 1.00 0.00 C ATOM 1001 CD LYS A 62 -0.380 10.984 3.066 1.00 0.00 C ATOM 1002 CE LYS A 62 -0.672 12.475 3.078 1.00 0.00 C ATOM 1003 NZ LYS A 62 -0.325 13.099 4.385 1.00 0.00 N ATOM 0 H LYS A 62 0.827 7.729 4.787 1.00 0.00 H new ATOM 0 HA LYS A 62 0.275 8.346 2.039 1.00 0.00 H new ATOM 0 HB2 LYS A 62 1.470 9.578 4.309 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.712 9.503 3.075 1.00 0.00 H new ATOM 0 HG2 LYS A 62 1.653 11.567 2.692 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.974 10.513 1.467 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.116 10.473 2.445 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.481 10.584 4.075 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.108 12.962 2.282 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.729 12.640 2.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -0.539 14.116 4.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.882 12.653 5.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.689 12.965 4.576 1.00 0.00 H new ATOM 1017 N GLN A 63 2.837 6.504 2.807 1.00 0.00 N ATOM 1018 CA GLN A 63 3.894 5.673 2.259 1.00 0.00 C ATOM 1019 C GLN A 63 3.312 4.463 1.541 1.00 0.00 C ATOM 1020 O GLN A 63 3.906 3.941 0.597 1.00 0.00 O ATOM 1021 CB GLN A 63 4.852 5.229 3.362 1.00 0.00 C ATOM 1022 CG GLN A 63 6.270 5.745 3.179 1.00 0.00 C ATOM 1023 CD GLN A 63 7.204 4.693 2.614 1.00 0.00 C ATOM 1024 OE1 GLN A 63 6.768 3.744 1.963 1.00 0.00 O ATOM 1025 NE2 GLN A 63 8.499 4.858 2.860 1.00 0.00 N ATOM 0 H GLN A 63 2.674 6.376 3.806 1.00 0.00 H new ATOM 0 HA GLN A 63 4.452 6.265 1.534 1.00 0.00 H new ATOM 0 HB2 GLN A 63 4.470 5.572 4.323 1.00 0.00 H new ATOM 0 HB3 GLN A 63 4.872 4.140 3.398 1.00 0.00 H new ATOM 0 HG2 GLN A 63 6.256 6.608 2.514 1.00 0.00 H new ATOM 0 HG3 GLN A 63 6.654 6.089 4.139 1.00 0.00 H new ATOM 0 HE21 GLN A 63 8.817 5.660 3.405 1.00 0.00 H new ATOM 0 HE22 GLN A 63 9.176 4.183 2.504 1.00 0.00 H new ATOM 1034 N VAL A 64 2.142 4.026 1.990 1.00 0.00 N ATOM 1035 CA VAL A 64 1.476 2.885 1.387 1.00 0.00 C ATOM 1036 C VAL A 64 0.709 3.296 0.137 1.00 0.00 C ATOM 1037 O VAL A 64 0.401 2.461 -0.713 1.00 0.00 O ATOM 1038 CB VAL A 64 0.508 2.201 2.371 1.00 0.00 C ATOM 1039 CG1 VAL A 64 -0.055 0.924 1.766 1.00 0.00 C ATOM 1040 CG2 VAL A 64 1.203 1.909 3.690 1.00 0.00 C ATOM 0 H VAL A 64 1.637 4.447 2.770 1.00 0.00 H new ATOM 0 HA VAL A 64 2.258 2.175 1.116 1.00 0.00 H new ATOM 0 HB VAL A 64 -0.321 2.882 2.566 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.737 0.455 2.476 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.594 1.163 0.849 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.761 0.238 1.539 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.503 1.426 4.371 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.053 1.249 3.515 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.553 2.842 4.131 1.00 0.00 H new ATOM 1050 N SER A 65 0.415 4.586 0.020 1.00 0.00 N ATOM 1051 CA SER A 65 -0.300 5.098 -1.135 1.00 0.00 C ATOM 1052 C SER A 65 0.682 5.416 -2.247 1.00 0.00 C ATOM 1053 O SER A 65 0.366 5.303 -3.431 1.00 0.00 O ATOM 1054 CB SER A 65 -1.106 6.344 -0.764 1.00 0.00 C ATOM 1055 OG SER A 65 -2.287 6.438 -1.542 1.00 0.00 O ATOM 0 H SER A 65 0.662 5.293 0.712 1.00 0.00 H new ATOM 0 HA SER A 65 -0.997 4.335 -1.482 1.00 0.00 H new ATOM 0 HB2 SER A 65 -1.366 6.311 0.294 1.00 0.00 H new ATOM 0 HB3 SER A 65 -0.495 7.234 -0.915 1.00 0.00 H new ATOM 0 HG SER A 65 -2.785 7.242 -1.285 1.00 0.00 H new ATOM 1061 N SER A 66 1.883 5.799 -1.845 1.00 0.00 N ATOM 1062 CA SER A 66 2.940 6.123 -2.781 1.00 0.00 C ATOM 1063 C SER A 66 3.480 4.857 -3.427 1.00 0.00 C ATOM 1064 O SER A 66 3.893 4.861 -4.587 1.00 0.00 O ATOM 1065 CB SER A 66 4.058 6.859 -2.057 1.00 0.00 C ATOM 1066 OG SER A 66 4.480 7.999 -2.786 1.00 0.00 O ATOM 0 H SER A 66 2.149 5.893 -0.865 1.00 0.00 H new ATOM 0 HA SER A 66 2.536 6.766 -3.563 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.715 7.163 -1.068 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.903 6.186 -1.909 1.00 0.00 H new ATOM 0 HG SER A 66 5.197 8.453 -2.297 1.00 0.00 H new ATOM 1072 N HIS A 67 3.471 3.777 -2.660 1.00 0.00 N ATOM 1073 CA HIS A 67 3.958 2.493 -3.140 1.00 0.00 C ATOM 1074 C HIS A 67 3.030 1.914 -4.198 1.00 0.00 C ATOM 1075 O HIS A 67 3.477 1.255 -5.138 1.00 0.00 O ATOM 1076 CB HIS A 67 4.108 1.510 -1.978 1.00 0.00 C ATOM 1077 CG HIS A 67 5.030 0.369 -2.276 1.00 0.00 C ATOM 1078 ND1 HIS A 67 6.098 0.033 -1.471 1.00 0.00 N ATOM 1079 CD2 HIS A 67 5.040 -0.516 -3.301 1.00 0.00 C ATOM 1080 CE1 HIS A 67 6.726 -1.009 -1.988 1.00 0.00 C ATOM 1081 NE2 HIS A 67 6.103 -1.361 -3.097 1.00 0.00 N ATOM 0 H HIS A 67 3.130 3.765 -1.699 1.00 0.00 H new ATOM 0 HA HIS A 67 4.935 2.655 -3.595 1.00 0.00 H new ATOM 0 HB2 HIS A 67 4.477 2.047 -1.104 1.00 0.00 H new ATOM 0 HB3 HIS A 67 3.126 1.115 -1.718 1.00 0.00 H new ATOM 0 HD2 HIS A 67 4.342 -0.551 -4.125 1.00 0.00 H new ATOM 0 HE1 HIS A 67 7.600 -1.490 -1.574 1.00 0.00 H new ATOM 0 HE2 HIS A 67 6.368 -2.136 -3.705 1.00 0.00 H new ATOM 1090 N ILE A 68 1.739 2.165 -4.042 1.00 0.00 N ATOM 1091 CA ILE A 68 0.751 1.669 -4.989 1.00 0.00 C ATOM 1092 C ILE A 68 0.818 2.443 -6.297 1.00 0.00 C ATOM 1093 O ILE A 68 0.504 1.913 -7.363 1.00 0.00 O ATOM 1094 CB ILE A 68 -0.680 1.751 -4.420 1.00 0.00 C ATOM 1095 CG1 ILE A 68 -0.741 1.107 -3.035 1.00 0.00 C ATOM 1096 CG2 ILE A 68 -1.667 1.077 -5.363 1.00 0.00 C ATOM 1097 CD1 ILE A 68 -1.805 1.702 -2.140 1.00 0.00 C ATOM 0 H ILE A 68 1.351 2.708 -3.270 1.00 0.00 H new ATOM 0 HA ILE A 68 0.989 0.622 -5.174 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.955 2.802 -4.326 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.927 0.039 -3.147 1.00 0.00 H new ATOM 0 HG13 ILE A 68 0.230 1.212 -2.551 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.672 1.144 -4.946 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.642 1.575 -6.332 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.394 0.029 -5.486 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.792 1.198 -1.174 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.608 2.765 -1.997 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.783 1.573 -2.603 1.00 0.00 H new ATOM 1109 N GLN A 69 1.237 3.697 -6.208 1.00 0.00 N ATOM 1110 CA GLN A 69 1.357 4.545 -7.382 1.00 0.00 C ATOM 1111 C GLN A 69 2.572 4.145 -8.209 1.00 0.00 C ATOM 1112 O GLN A 69 2.604 4.344 -9.424 1.00 0.00 O ATOM 1113 CB GLN A 69 1.458 6.015 -6.972 1.00 0.00 C ATOM 1114 CG GLN A 69 0.203 6.546 -6.299 1.00 0.00 C ATOM 1115 CD GLN A 69 -0.195 7.919 -6.805 1.00 0.00 C ATOM 1116 OE1 GLN A 69 0.110 8.288 -7.939 1.00 0.00 O ATOM 1117 NE2 GLN A 69 -0.879 8.684 -5.962 1.00 0.00 N ATOM 0 H GLN A 69 1.500 4.149 -5.332 1.00 0.00 H new ATOM 0 HA GLN A 69 0.463 4.413 -7.992 1.00 0.00 H new ATOM 0 HB2 GLN A 69 2.303 6.137 -6.295 1.00 0.00 H new ATOM 0 HB3 GLN A 69 1.668 6.617 -7.856 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -0.618 5.849 -6.468 1.00 0.00 H new ATOM 0 HG3 GLN A 69 0.365 6.593 -5.222 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -1.110 8.337 -5.031 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -1.173 9.619 -6.245 1.00 0.00 H new ATOM 1126 N VAL A 70 3.566 3.574 -7.542 1.00 0.00 N ATOM 1127 CA VAL A 70 4.782 3.136 -8.209 1.00 0.00 C ATOM 1128 C VAL A 70 4.536 1.874 -9.023 1.00 0.00 C ATOM 1129 O VAL A 70 5.237 1.604 -9.998 1.00 0.00 O ATOM 1130 CB VAL A 70 5.917 2.878 -7.213 1.00 0.00 C ATOM 1131 CG1 VAL A 70 7.250 2.763 -7.937 1.00 0.00 C ATOM 1132 CG2 VAL A 70 5.967 3.968 -6.150 1.00 0.00 C ATOM 0 H VAL A 70 3.553 3.403 -6.536 1.00 0.00 H new ATOM 0 HA VAL A 70 5.080 3.945 -8.876 1.00 0.00 H new ATOM 0 HB VAL A 70 5.720 1.931 -6.711 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.043 2.580 -7.212 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.209 1.936 -8.646 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.455 3.690 -8.472 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.781 3.762 -5.455 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.133 4.934 -6.627 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.023 3.989 -5.606 1.00 0.00 H new ATOM 1142 N LEU A 71 3.533 1.105 -8.620 1.00 0.00 N ATOM 1143 CA LEU A 71 3.192 -0.125 -9.315 1.00 0.00 C ATOM 1144 C LEU A 71 2.456 0.175 -10.616 1.00 0.00 C ATOM 1145 O LEU A 71 2.478 -0.624 -11.553 1.00 0.00 O ATOM 1146 CB LEU A 71 2.344 -1.027 -8.421 1.00 0.00 C ATOM 1147 CG LEU A 71 2.957 -2.396 -8.117 1.00 0.00 C ATOM 1148 CD1 LEU A 71 2.683 -2.798 -6.676 1.00 0.00 C ATOM 1149 CD2 LEU A 71 2.417 -3.446 -9.076 1.00 0.00 C ATOM 0 H LEU A 71 2.942 1.313 -7.815 1.00 0.00 H new ATOM 0 HA LEU A 71 4.118 -0.646 -9.557 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.160 -0.510 -7.479 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.375 -1.177 -8.897 1.00 0.00 H new ATOM 0 HG LEU A 71 4.036 -2.327 -8.254 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.127 -3.774 -6.480 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.119 -2.059 -6.003 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.607 -2.849 -6.511 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.863 -4.413 -8.845 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.334 -3.512 -8.971 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.666 -3.166 -10.100 1.00 0.00 H new ATOM 1161 N ALA A 72 1.808 1.333 -10.667 1.00 0.00 N ATOM 1162 CA ALA A 72 1.069 1.740 -11.851 1.00 0.00 C ATOM 1163 C ALA A 72 2.011 2.202 -12.950 1.00 0.00 C ATOM 1164 O ALA A 72 1.764 1.973 -14.134 1.00 0.00 O ATOM 1165 CB ALA A 72 0.071 2.835 -11.506 1.00 0.00 C ATOM 0 H ALA A 72 1.781 2.005 -9.901 1.00 0.00 H new ATOM 0 HA ALA A 72 0.520 0.874 -12.221 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.473 3.127 -12.404 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.632 2.465 -10.760 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.602 3.699 -11.106 1.00 0.00 H new ATOM 1171 N ARG A 73 3.095 2.846 -12.549 1.00 0.00 N ATOM 1172 CA ARG A 73 4.084 3.333 -13.497 1.00 0.00 C ATOM 1173 C ARG A 73 4.867 2.172 -14.087 1.00 0.00 C ATOM 1174 O ARG A 73 5.253 2.192 -15.256 1.00 0.00 O ATOM 1175 CB ARG A 73 5.037 4.322 -12.825 1.00 0.00 C ATOM 1176 CG ARG A 73 5.677 3.786 -11.556 1.00 0.00 C ATOM 1177 CD ARG A 73 6.748 4.728 -11.031 1.00 0.00 C ATOM 1178 NE ARG A 73 6.174 5.908 -10.391 1.00 0.00 N ATOM 1179 CZ ARG A 73 6.861 7.018 -10.128 1.00 0.00 C ATOM 1180 NH1 ARG A 73 8.146 7.102 -10.449 1.00 0.00 N ATOM 1181 NH2 ARG A 73 6.262 8.046 -9.543 1.00 0.00 N ATOM 0 H ARG A 73 3.313 3.044 -11.572 1.00 0.00 H new ATOM 0 HA ARG A 73 3.560 3.850 -14.301 1.00 0.00 H new ATOM 0 HB2 ARG A 73 5.822 4.593 -13.531 1.00 0.00 H new ATOM 0 HB3 ARG A 73 4.491 5.235 -12.588 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.911 3.643 -10.794 1.00 0.00 H new ATOM 0 HG3 ARG A 73 6.116 2.808 -11.754 1.00 0.00 H new ATOM 0 HD2 ARG A 73 7.378 4.198 -10.316 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.392 5.039 -11.854 1.00 0.00 H new ATOM 0 HE ARG A 73 5.188 5.881 -10.130 1.00 0.00 H new ATOM 0 HH11 ARG A 73 8.612 6.314 -10.899 1.00 0.00 H new ATOM 0 HH12 ARG A 73 8.668 7.954 -10.245 1.00 0.00 H new ATOM 0 HH21 ARG A 73 5.275 7.987 -9.294 1.00 0.00 H new ATOM 0 HH22 ARG A 73 6.789 8.896 -9.342 1.00 0.00 H new ATOM 1195 N ARG A 74 5.088 1.159 -13.265 1.00 0.00 N ATOM 1196 CA ARG A 74 5.816 -0.027 -13.689 1.00 0.00 C ATOM 1197 C ARG A 74 5.005 -0.822 -14.704 1.00 0.00 C ATOM 1198 O ARG A 74 5.561 -1.530 -15.544 1.00 0.00 O ATOM 1199 CB ARG A 74 6.154 -0.905 -12.483 1.00 0.00 C ATOM 1200 CG ARG A 74 7.499 -0.581 -11.852 1.00 0.00 C ATOM 1201 CD ARG A 74 8.615 -1.415 -12.460 1.00 0.00 C ATOM 1202 NE ARG A 74 9.604 -1.817 -11.463 1.00 0.00 N ATOM 1203 CZ ARG A 74 10.500 -2.782 -11.655 1.00 0.00 C ATOM 1204 NH1 ARG A 74 10.536 -3.445 -12.804 1.00 0.00 N ATOM 1205 NH2 ARG A 74 11.364 -3.084 -10.695 1.00 0.00 N ATOM 0 H ARG A 74 4.772 1.134 -12.295 1.00 0.00 H new ATOM 0 HA ARG A 74 6.744 0.294 -14.162 1.00 0.00 H new ATOM 0 HB2 ARG A 74 5.373 -0.792 -11.731 1.00 0.00 H new ATOM 0 HB3 ARG A 74 6.150 -1.950 -12.792 1.00 0.00 H new ATOM 0 HG2 ARG A 74 7.720 0.478 -11.987 1.00 0.00 H new ATOM 0 HG3 ARG A 74 7.451 -0.762 -10.778 1.00 0.00 H new ATOM 0 HD2 ARG A 74 8.190 -2.303 -12.928 1.00 0.00 H new ATOM 0 HD3 ARG A 74 9.106 -0.844 -13.248 1.00 0.00 H new ATOM 0 HE ARG A 74 9.608 -1.329 -10.567 1.00 0.00 H new ATOM 0 HH11 ARG A 74 9.875 -3.216 -13.546 1.00 0.00 H new ATOM 0 HH12 ARG A 74 11.225 -4.184 -12.945 1.00 0.00 H new ATOM 0 HH21 ARG A 74 11.341 -2.577 -9.810 1.00 0.00 H new ATOM 0 HH22 ARG A 74 12.051 -3.824 -10.841 1.00 0.00 H new ATOM 1219 N LYS A 75 3.686 -0.697 -14.620 1.00 0.00 N ATOM 1220 CA LYS A 75 2.792 -1.399 -15.530 1.00 0.00 C ATOM 1221 C LYS A 75 2.856 -0.795 -16.927 1.00 0.00 C ATOM 1222 O LYS A 75 2.660 -1.487 -17.925 1.00 0.00 O ATOM 1223 CB LYS A 75 1.356 -1.357 -15.005 1.00 0.00 C ATOM 1224 CG LYS A 75 1.139 -2.195 -13.756 1.00 0.00 C ATOM 1225 CD LYS A 75 0.584 -3.569 -14.097 1.00 0.00 C ATOM 1226 CE LYS A 75 0.083 -4.291 -12.857 1.00 0.00 C ATOM 1227 NZ LYS A 75 0.030 -5.765 -13.055 1.00 0.00 N ATOM 0 H LYS A 75 3.212 -0.115 -13.929 1.00 0.00 H new ATOM 0 HA LYS A 75 3.116 -2.438 -15.589 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.087 -0.323 -14.790 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.682 -1.705 -15.787 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.083 -2.305 -13.222 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.451 -1.680 -13.086 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.231 -3.466 -14.813 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.358 -4.166 -14.579 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.736 -4.061 -12.015 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.910 -3.924 -12.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.317 -6.220 -12.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -0.613 -5.987 -13.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.982 -6.120 -13.275 1.00 0.00 H new ATOM 1241 N SER A 76 3.132 0.500 -16.985 1.00 0.00 N ATOM 1242 CA SER A 76 3.224 1.207 -18.254 1.00 0.00 C ATOM 1243 C SER A 76 4.557 0.931 -18.945 1.00 0.00 C ATOM 1244 O SER A 76 4.699 1.149 -20.148 1.00 0.00 O ATOM 1245 CB SER A 76 3.049 2.712 -18.039 1.00 0.00 C ATOM 1246 OG SER A 76 3.467 3.094 -16.739 1.00 0.00 O ATOM 0 H SER A 76 3.297 1.084 -16.165 1.00 0.00 H new ATOM 0 HA SER A 76 2.424 0.842 -18.898 1.00 0.00 H new ATOM 0 HB2 SER A 76 3.626 3.259 -18.785 1.00 0.00 H new ATOM 0 HB3 SER A 76 2.003 2.984 -18.183 1.00 0.00 H new ATOM 0 HG SER A 76 4.309 2.643 -16.520 1.00 0.00 H new ATOM 1252 N ARG A 77 5.530 0.448 -18.179 1.00 0.00 N ATOM 1253 CA ARG A 77 6.848 0.141 -18.722 1.00 0.00 C ATOM 1254 C ARG A 77 6.770 -0.970 -19.768 1.00 0.00 C ATOM 1255 O ARG A 77 7.713 -1.181 -20.530 1.00 0.00 O ATOM 1256 CB ARG A 77 7.801 -0.269 -17.598 1.00 0.00 C ATOM 1257 CG ARG A 77 8.283 0.899 -16.753 1.00 0.00 C ATOM 1258 CD ARG A 77 9.254 0.445 -15.675 1.00 0.00 C ATOM 1259 NE ARG A 77 9.531 1.503 -14.707 1.00 0.00 N ATOM 1260 CZ ARG A 77 10.581 1.502 -13.889 1.00 0.00 C ATOM 1261 NH1 ARG A 77 11.454 0.502 -13.918 1.00 0.00 N ATOM 1262 NH2 ARG A 77 10.760 2.504 -13.039 1.00 0.00 N ATOM 0 H ARG A 77 5.431 0.261 -17.181 1.00 0.00 H new ATOM 0 HA ARG A 77 7.228 1.040 -19.206 1.00 0.00 H new ATOM 0 HB2 ARG A 77 7.300 -0.991 -16.953 1.00 0.00 H new ATOM 0 HB3 ARG A 77 8.664 -0.774 -18.031 1.00 0.00 H new ATOM 0 HG2 ARG A 77 8.767 1.637 -17.393 1.00 0.00 H new ATOM 0 HG3 ARG A 77 7.428 1.391 -16.290 1.00 0.00 H new ATOM 0 HD2 ARG A 77 8.842 -0.421 -15.157 1.00 0.00 H new ATOM 0 HD3 ARG A 77 10.187 0.125 -16.139 1.00 0.00 H new ATOM 0 HE ARG A 77 8.882 2.288 -14.655 1.00 0.00 H new ATOM 0 HH11 ARG A 77 11.322 -0.271 -14.570 1.00 0.00 H new ATOM 0 HH12 ARG A 77 12.257 0.507 -13.289 1.00 0.00 H new ATOM 0 HH21 ARG A 77 10.093 3.275 -13.012 1.00 0.00 H new ATOM 0 HH22 ARG A 77 11.565 2.503 -12.412 1.00 0.00 H new ATOM 1276 N ASP A 78 5.643 -1.679 -19.802 1.00 0.00 N ATOM 1277 CA ASP A 78 5.447 -2.761 -20.748 1.00 0.00 C ATOM 1278 C ASP A 78 5.647 -2.287 -22.186 1.00 0.00 C ATOM 1279 O ASP A 78 5.950 -3.082 -23.076 1.00 0.00 O ATOM 1280 CB ASP A 78 4.045 -3.338 -20.570 1.00 0.00 C ATOM 1281 CG ASP A 78 2.955 -2.359 -20.962 1.00 0.00 C ATOM 1282 OD1 ASP A 78 2.934 -1.241 -20.405 1.00 0.00 O ATOM 1283 OD2 ASP A 78 2.124 -2.710 -21.826 1.00 0.00 O ATOM 0 H ASP A 78 4.852 -1.517 -19.179 1.00 0.00 H new ATOM 0 HA ASP A 78 6.190 -3.534 -20.551 1.00 0.00 H new ATOM 0 HB2 ASP A 78 3.949 -4.242 -21.172 1.00 0.00 H new ATOM 0 HB3 ASP A 78 3.907 -3.632 -19.529 1.00 0.00 H new