USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 649 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 59 HIS :FLIP no HD1:sc= -3.11 F(o=-10!,f=-4.6) USER MOD Set 1.2: A 61 TYR OH : rot -86:sc= -1.48! USER MOD Single : A 8 THR OG1 : rot 120:sc= -1.04 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 20 SER OG : rot 141:sc= -0.858! USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.686 K(o=-0.69,f=-2.1!) USER MOD Single : A 26 THR OG1 : rot -75:sc= 0.481 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 TYR OH : rot 15:sc= -1.24 USER MOD Single : A 32 ASN : amide:sc= -0.0162 K(o=-0.016,f=-1.7!) USER MOD Single : A 35 THR OG1 : rot -83:sc= 1.04 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.63 K(o=-0.63,f=-7.6!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -132:sc= 0.117 (180deg=-0.0442) USER MOD Single : A 50 ASN : amide:sc= -0.919 K(o=-0.92,f=-5.7!) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=-0.09) USER MOD Single : A 55 ASN : amide:sc= -0.226 K(o=-0.23,f=-2.9!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= 0.35 K(o=0.35,f=-4.7!) USER MOD Single : A 69 LYS NZ :NH3+ -116:sc= -1.67! (180deg=-3.8!) USER MOD Single : A 74 THR OG1 : rot 52:sc= -2.7! USER MOD Single : A 81 GLN : amide:sc=-0.00639 X(o=-0.0064,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 116 N THR A 8 -8.996 4.492 3.640 1.00 0.00 N ATOM 117 CA THR A 8 -8.848 3.145 3.020 1.00 0.00 C ATOM 118 C THR A 8 -7.449 3.011 2.415 1.00 0.00 C ATOM 119 O THR A 8 -7.249 3.233 1.237 1.00 0.00 O ATOM 120 CB THR A 8 -9.899 2.972 1.921 1.00 0.00 C ATOM 121 OG1 THR A 8 -9.589 1.820 1.149 1.00 0.00 O ATOM 122 CG2 THR A 8 -9.903 4.208 1.019 1.00 0.00 C ATOM 0 HA THR A 8 -8.988 2.377 3.781 1.00 0.00 H new ATOM 0 HB THR A 8 -10.883 2.852 2.373 1.00 0.00 H new ATOM 0 HG1 THR A 8 -10.330 1.181 1.202 1.00 0.00 H new ATOM 0 HG21 THR A 8 -10.652 4.085 0.236 1.00 0.00 H new ATOM 0 HG22 THR A 8 -10.141 5.091 1.613 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.920 4.330 0.565 1.00 0.00 H new ATOM 130 N TYR A 9 -6.482 2.647 3.211 1.00 0.00 N ATOM 131 CA TYR A 9 -5.095 2.497 2.678 1.00 0.00 C ATOM 132 C TYR A 9 -5.035 1.284 1.746 1.00 0.00 C ATOM 133 O TYR A 9 -4.159 1.173 0.913 1.00 0.00 O ATOM 134 CB TYR A 9 -4.112 2.294 3.837 1.00 0.00 C ATOM 135 CG TYR A 9 -3.640 3.635 4.347 1.00 0.00 C ATOM 136 CD1 TYR A 9 -2.729 4.387 3.594 1.00 0.00 C ATOM 137 CD2 TYR A 9 -4.106 4.124 5.573 1.00 0.00 C ATOM 138 CE1 TYR A 9 -2.286 5.628 4.068 1.00 0.00 C ATOM 139 CE2 TYR A 9 -3.663 5.365 6.046 1.00 0.00 C ATOM 140 CZ TYR A 9 -2.752 6.117 5.293 1.00 0.00 C ATOM 141 OH TYR A 9 -2.316 7.341 5.759 1.00 0.00 O ATOM 0 H TYR A 9 -6.590 2.447 4.205 1.00 0.00 H new ATOM 0 HA TYR A 9 -4.824 3.398 2.127 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -4.593 1.738 4.641 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -3.260 1.701 3.504 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.368 4.010 2.648 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -4.807 3.544 6.154 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -1.584 6.208 3.487 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -4.024 5.743 6.991 1.00 0.00 H new ATOM 0 HH TYR A 9 -2.738 7.531 6.623 1.00 0.00 H new ATOM 151 N ALA A 10 -5.957 0.371 1.884 1.00 0.00 N ATOM 152 CA ALA A 10 -5.951 -0.838 1.011 1.00 0.00 C ATOM 153 C ALA A 10 -6.339 -0.450 -0.418 1.00 0.00 C ATOM 154 O ALA A 10 -5.534 -0.511 -1.326 1.00 0.00 O ATOM 155 CB ALA A 10 -6.958 -1.857 1.550 1.00 0.00 C ATOM 0 H ALA A 10 -6.716 0.410 2.565 1.00 0.00 H new ATOM 0 HA ALA A 10 -4.952 -1.273 1.007 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.956 -2.742 0.914 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.681 -2.140 2.566 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.955 -1.416 1.555 1.00 0.00 H new ATOM 161 N SER A 11 -7.567 -0.061 -0.626 1.00 0.00 N ATOM 162 CA SER A 11 -8.011 0.322 -1.998 1.00 0.00 C ATOM 163 C SER A 11 -6.931 1.165 -2.680 1.00 0.00 C ATOM 164 O SER A 11 -6.693 1.044 -3.866 1.00 0.00 O ATOM 165 CB SER A 11 -9.303 1.134 -1.905 1.00 0.00 C ATOM 166 OG SER A 11 -10.207 0.696 -2.912 1.00 0.00 O ATOM 0 H SER A 11 -8.284 0.009 0.096 1.00 0.00 H new ATOM 0 HA SER A 11 -8.184 -0.581 -2.583 1.00 0.00 H new ATOM 0 HB2 SER A 11 -9.752 1.013 -0.919 1.00 0.00 H new ATOM 0 HB3 SER A 11 -9.089 2.195 -2.029 1.00 0.00 H new ATOM 0 HG SER A 11 -11.037 1.214 -2.854 1.00 0.00 H new ATOM 172 N LEU A 12 -6.277 2.020 -1.945 1.00 0.00 N ATOM 173 CA LEU A 12 -5.218 2.871 -2.559 1.00 0.00 C ATOM 174 C LEU A 12 -3.977 2.022 -2.846 1.00 0.00 C ATOM 175 O LEU A 12 -3.426 2.057 -3.928 1.00 0.00 O ATOM 176 CB LEU A 12 -4.849 4.000 -1.597 1.00 0.00 C ATOM 177 CG LEU A 12 -5.573 5.281 -2.013 1.00 0.00 C ATOM 178 CD1 LEU A 12 -4.980 5.801 -3.324 1.00 0.00 C ATOM 179 CD2 LEU A 12 -7.059 4.983 -2.211 1.00 0.00 C ATOM 0 H LEU A 12 -6.429 2.167 -0.947 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.591 3.294 -3.492 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.124 3.728 -0.578 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.771 4.160 -1.604 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.452 6.035 -1.235 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.496 6.714 -3.620 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.920 6.013 -3.185 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.101 5.047 -4.102 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -7.577 5.895 -2.508 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.178 4.229 -2.989 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.483 4.612 -1.278 1.00 0.00 H new ATOM 191 N ILE A 13 -3.530 1.264 -1.884 1.00 0.00 N ATOM 192 CA ILE A 13 -2.323 0.418 -2.100 1.00 0.00 C ATOM 193 C ILE A 13 -2.655 -0.715 -3.074 1.00 0.00 C ATOM 194 O ILE A 13 -1.910 -0.996 -3.991 1.00 0.00 O ATOM 195 CB ILE A 13 -1.876 -0.173 -0.763 1.00 0.00 C ATOM 196 CG1 ILE A 13 -1.346 0.946 0.139 1.00 0.00 C ATOM 197 CG2 ILE A 13 -0.771 -1.203 -1.004 1.00 0.00 C ATOM 198 CD1 ILE A 13 0.019 1.413 -0.370 1.00 0.00 C ATOM 0 H ILE A 13 -3.949 1.194 -0.957 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.522 1.028 -2.518 1.00 0.00 H new ATOM 0 HB ILE A 13 -2.724 -0.658 -0.279 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -2.047 1.781 0.149 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.260 0.589 1.165 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.452 -1.624 -0.051 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -1.150 -2.000 -1.644 1.00 0.00 H new ATOM 0 HG23 ILE A 13 0.077 -0.720 -1.489 1.00 0.00 H new ATOM 0 HD11 ILE A 13 0.394 2.209 0.273 1.00 0.00 H new ATOM 0 HD12 ILE A 13 0.718 0.577 -0.357 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.081 1.787 -1.389 1.00 0.00 H new ATOM 210 N ARG A 14 -3.769 -1.369 -2.881 1.00 0.00 N ATOM 211 CA ARG A 14 -4.146 -2.484 -3.794 1.00 0.00 C ATOM 212 C ARG A 14 -4.133 -1.988 -5.242 1.00 0.00 C ATOM 213 O ARG A 14 -3.693 -2.678 -6.141 1.00 0.00 O ATOM 214 CB ARG A 14 -5.551 -2.979 -3.440 1.00 0.00 C ATOM 215 CG ARG A 14 -5.968 -4.081 -4.418 1.00 0.00 C ATOM 216 CD ARG A 14 -7.301 -3.709 -5.070 1.00 0.00 C ATOM 217 NE ARG A 14 -7.805 -4.864 -5.864 1.00 0.00 N ATOM 218 CZ ARG A 14 -9.074 -5.165 -5.846 1.00 0.00 C ATOM 219 NH1 ARG A 14 -9.748 -5.086 -4.732 1.00 0.00 N ATOM 220 NH2 ARG A 14 -9.670 -5.547 -6.943 1.00 0.00 N ATOM 0 H ARG A 14 -4.433 -1.179 -2.131 1.00 0.00 H new ATOM 0 HA ARG A 14 -3.432 -3.300 -3.683 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -5.567 -3.360 -2.419 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -6.260 -2.153 -3.483 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -5.202 -4.213 -5.182 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -6.061 -5.032 -3.893 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -8.028 -3.435 -4.305 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -7.173 -2.839 -5.714 1.00 0.00 H new ATOM 0 HE ARG A 14 -7.157 -5.420 -6.422 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -9.283 -4.789 -3.874 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -10.740 -5.321 -4.719 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -9.143 -5.610 -7.814 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -10.662 -5.782 -6.929 1.00 0.00 H new ATOM 234 N GLN A 15 -4.620 -0.801 -5.473 1.00 0.00 N ATOM 235 CA GLN A 15 -4.646 -0.261 -6.860 1.00 0.00 C ATOM 236 C GLN A 15 -3.221 -0.172 -7.411 1.00 0.00 C ATOM 237 O GLN A 15 -2.893 -0.781 -8.410 1.00 0.00 O ATOM 238 CB GLN A 15 -5.278 1.132 -6.849 1.00 0.00 C ATOM 239 CG GLN A 15 -6.787 1.003 -6.640 1.00 0.00 C ATOM 240 CD GLN A 15 -7.508 1.236 -7.969 1.00 0.00 C ATOM 241 OE1 GLN A 15 -7.270 0.536 -8.934 1.00 0.00 O ATOM 242 NE2 GLN A 15 -8.385 2.197 -8.061 1.00 0.00 N ATOM 0 H GLN A 15 -5.002 -0.180 -4.759 1.00 0.00 H new ATOM 0 HA GLN A 15 -5.233 -0.925 -7.494 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -4.840 1.736 -6.054 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -5.072 1.644 -7.789 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -7.028 0.013 -6.252 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -7.125 1.727 -5.899 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -8.585 2.784 -7.251 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -8.871 2.361 -8.943 1.00 0.00 H new ATOM 251 N ALA A 16 -2.373 0.590 -6.775 1.00 0.00 N ATOM 252 CA ALA A 16 -0.973 0.721 -7.273 1.00 0.00 C ATOM 253 C ALA A 16 -0.277 -0.643 -7.228 1.00 0.00 C ATOM 254 O ALA A 16 0.584 -0.937 -8.034 1.00 0.00 O ATOM 255 CB ALA A 16 -0.209 1.711 -6.392 1.00 0.00 C ATOM 0 H ALA A 16 -2.588 1.126 -5.934 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.990 1.083 -8.301 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.814 1.807 -6.755 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.700 2.684 -6.428 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.196 1.349 -5.364 1.00 0.00 H new ATOM 261 N ILE A 17 -0.638 -1.477 -6.292 1.00 0.00 N ATOM 262 CA ILE A 17 0.010 -2.816 -6.197 1.00 0.00 C ATOM 263 C ILE A 17 -0.466 -3.704 -7.353 1.00 0.00 C ATOM 264 O ILE A 17 0.314 -4.117 -8.189 1.00 0.00 O ATOM 265 CB ILE A 17 -0.354 -3.463 -4.854 1.00 0.00 C ATOM 266 CG1 ILE A 17 0.528 -2.866 -3.751 1.00 0.00 C ATOM 267 CG2 ILE A 17 -0.123 -4.977 -4.922 1.00 0.00 C ATOM 268 CD1 ILE A 17 0.411 -3.714 -2.483 1.00 0.00 C ATOM 0 H ILE A 17 -1.353 -1.290 -5.589 1.00 0.00 H new ATOM 0 HA ILE A 17 1.092 -2.703 -6.260 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.404 -3.270 -4.636 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.566 -2.830 -4.082 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.224 -1.840 -3.544 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.384 -5.428 -3.965 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -0.746 -5.405 -5.707 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.926 -5.175 -5.143 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.039 -3.287 -1.701 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.626 -3.727 -2.149 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.737 -4.732 -2.695 1.00 0.00 H new ATOM 280 N LEU A 18 -1.734 -4.011 -7.407 1.00 0.00 N ATOM 281 CA LEU A 18 -2.238 -4.879 -8.509 1.00 0.00 C ATOM 282 C LEU A 18 -1.787 -4.311 -9.855 1.00 0.00 C ATOM 283 O LEU A 18 -1.734 -5.009 -10.849 1.00 0.00 O ATOM 284 CB LEU A 18 -3.767 -4.943 -8.463 1.00 0.00 C ATOM 285 CG LEU A 18 -4.353 -3.574 -8.815 1.00 0.00 C ATOM 286 CD1 LEU A 18 -4.557 -3.479 -10.329 1.00 0.00 C ATOM 287 CD2 LEU A 18 -5.700 -3.405 -8.109 1.00 0.00 C ATOM 0 H LEU A 18 -2.439 -3.700 -6.739 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.835 -5.884 -8.387 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.130 -5.695 -9.163 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.098 -5.246 -7.470 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.668 -2.790 -8.492 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.974 -2.504 -10.579 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.599 -3.604 -10.834 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.243 -4.261 -10.654 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.121 -2.431 -8.357 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.383 -4.189 -8.436 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.557 -3.474 -7.031 1.00 0.00 H new ATOM 299 N GLU A 19 -1.452 -3.051 -9.897 1.00 0.00 N ATOM 300 CA GLU A 19 -0.997 -2.444 -11.178 1.00 0.00 C ATOM 301 C GLU A 19 0.236 -3.200 -11.677 1.00 0.00 C ATOM 302 O GLU A 19 0.522 -3.236 -12.857 1.00 0.00 O ATOM 303 CB GLU A 19 -0.641 -0.974 -10.950 1.00 0.00 C ATOM 304 CG GLU A 19 0.022 -0.405 -12.206 1.00 0.00 C ATOM 305 CD GLU A 19 1.539 -0.563 -12.099 1.00 0.00 C ATOM 306 OE1 GLU A 19 2.016 -0.781 -10.998 1.00 0.00 O ATOM 307 OE2 GLU A 19 2.199 -0.466 -13.121 1.00 0.00 O ATOM 0 H GLU A 19 -1.474 -2.416 -9.099 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.793 -2.508 -11.920 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.539 -0.405 -10.711 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.032 -0.880 -10.097 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.347 -0.923 -13.091 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.237 0.647 -12.322 1.00 0.00 H new ATOM 314 N SER A 20 0.966 -3.810 -10.782 1.00 0.00 N ATOM 315 CA SER A 20 2.177 -4.571 -11.197 1.00 0.00 C ATOM 316 C SER A 20 1.746 -5.891 -11.846 1.00 0.00 C ATOM 317 O SER A 20 0.589 -6.255 -11.791 1.00 0.00 O ATOM 318 CB SER A 20 3.046 -4.852 -9.965 1.00 0.00 C ATOM 319 OG SER A 20 3.271 -6.252 -9.844 1.00 0.00 O ATOM 0 H SER A 20 0.775 -3.813 -9.780 1.00 0.00 H new ATOM 0 HA SER A 20 2.753 -3.989 -11.916 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.998 -4.328 -10.052 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.555 -4.474 -9.068 1.00 0.00 H new ATOM 0 HG SER A 20 4.193 -6.411 -9.553 1.00 0.00 H new ATOM 325 N PRO A 21 2.696 -6.567 -12.442 1.00 0.00 N ATOM 326 CA PRO A 21 2.450 -7.854 -13.114 1.00 0.00 C ATOM 327 C PRO A 21 2.347 -8.981 -12.083 1.00 0.00 C ATOM 328 O PRO A 21 1.974 -10.093 -12.399 1.00 0.00 O ATOM 329 CB PRO A 21 3.684 -8.036 -14.003 1.00 0.00 C ATOM 330 CG PRO A 21 4.800 -7.163 -13.383 1.00 0.00 C ATOM 331 CD PRO A 21 4.099 -6.111 -12.502 1.00 0.00 C ATOM 0 HA PRO A 21 1.518 -7.874 -13.679 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.985 -9.083 -14.040 1.00 0.00 H new ATOM 0 HB3 PRO A 21 3.474 -7.728 -15.027 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.483 -7.771 -12.790 1.00 0.00 H new ATOM 0 HG3 PRO A 21 5.394 -6.683 -14.161 1.00 0.00 H new ATOM 0 HD2 PRO A 21 4.545 -6.062 -11.509 1.00 0.00 H new ATOM 0 HD3 PRO A 21 4.176 -5.114 -12.935 1.00 0.00 H new ATOM 339 N GLU A 22 2.672 -8.701 -10.850 1.00 0.00 N ATOM 340 CA GLU A 22 2.590 -9.748 -9.802 1.00 0.00 C ATOM 341 C GLU A 22 2.016 -9.142 -8.519 1.00 0.00 C ATOM 342 O GLU A 22 2.384 -9.518 -7.425 1.00 0.00 O ATOM 343 CB GLU A 22 3.984 -10.316 -9.531 1.00 0.00 C ATOM 344 CG GLU A 22 3.857 -11.623 -8.744 1.00 0.00 C ATOM 345 CD GLU A 22 5.240 -12.251 -8.569 1.00 0.00 C ATOM 346 OE1 GLU A 22 6.205 -11.506 -8.515 1.00 0.00 O ATOM 347 OE2 GLU A 22 5.312 -13.467 -8.492 1.00 0.00 O ATOM 0 H GLU A 22 2.991 -7.788 -10.526 1.00 0.00 H new ATOM 0 HA GLU A 22 1.938 -10.553 -10.142 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.505 -10.494 -10.472 1.00 0.00 H new ATOM 0 HB3 GLU A 22 4.579 -9.596 -8.968 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.408 -11.431 -7.770 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.197 -12.313 -9.269 1.00 0.00 H new ATOM 354 N LYS A 23 1.098 -8.224 -8.657 1.00 0.00 N ATOM 355 CA LYS A 23 0.461 -7.583 -7.481 1.00 0.00 C ATOM 356 C LYS A 23 1.441 -7.448 -6.308 1.00 0.00 C ATOM 357 O LYS A 23 1.078 -7.638 -5.168 1.00 0.00 O ATOM 358 CB LYS A 23 -0.746 -8.417 -7.067 1.00 0.00 C ATOM 359 CG LYS A 23 -0.302 -9.830 -6.677 1.00 0.00 C ATOM 360 CD LYS A 23 -1.536 -10.701 -6.423 1.00 0.00 C ATOM 361 CE LYS A 23 -1.647 -11.760 -7.522 1.00 0.00 C ATOM 362 NZ LYS A 23 -2.130 -11.123 -8.780 1.00 0.00 N ATOM 0 H LYS A 23 0.758 -7.887 -9.558 1.00 0.00 H new ATOM 0 HA LYS A 23 0.149 -6.576 -7.756 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -1.255 -7.943 -6.228 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.462 -8.466 -7.887 1.00 0.00 H new ATOM 0 HG2 LYS A 23 0.305 -10.264 -7.471 1.00 0.00 H new ATOM 0 HG3 LYS A 23 0.321 -9.793 -5.783 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.461 -11.181 -5.447 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -2.434 -10.083 -6.407 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.677 -12.229 -7.689 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -2.334 -12.548 -7.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.205 -11.843 -9.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -3.064 -10.695 -8.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.458 -10.386 -9.076 1.00 0.00 H new ATOM 376 N GLN A 24 2.667 -7.088 -6.576 1.00 0.00 N ATOM 377 CA GLN A 24 3.658 -6.901 -5.472 1.00 0.00 C ATOM 378 C GLN A 24 4.326 -5.545 -5.653 1.00 0.00 C ATOM 379 O GLN A 24 4.380 -5.023 -6.749 1.00 0.00 O ATOM 380 CB GLN A 24 4.727 -7.995 -5.513 1.00 0.00 C ATOM 381 CG GLN A 24 4.938 -8.483 -6.948 1.00 0.00 C ATOM 382 CD GLN A 24 6.435 -8.668 -7.206 1.00 0.00 C ATOM 383 OE1 GLN A 24 7.094 -9.421 -6.517 1.00 0.00 O ATOM 384 NE2 GLN A 24 7.005 -8.009 -8.178 1.00 0.00 N ATOM 0 H GLN A 24 3.028 -6.914 -7.514 1.00 0.00 H new ATOM 0 HA GLN A 24 3.143 -6.956 -4.513 1.00 0.00 H new ATOM 0 HB2 GLN A 24 5.665 -7.611 -5.111 1.00 0.00 H new ATOM 0 HB3 GLN A 24 4.427 -8.829 -4.879 1.00 0.00 H new ATOM 0 HG2 GLN A 24 4.411 -9.424 -7.105 1.00 0.00 H new ATOM 0 HG3 GLN A 24 4.522 -7.764 -7.653 1.00 0.00 H new ATOM 0 HE21 GLN A 24 6.453 -7.376 -8.758 1.00 0.00 H new ATOM 0 HE22 GLN A 24 8.002 -8.127 -8.358 1.00 0.00 H new ATOM 393 N LEU A 25 4.831 -4.948 -4.607 1.00 0.00 N ATOM 394 CA LEU A 25 5.465 -3.625 -4.801 1.00 0.00 C ATOM 395 C LEU A 25 6.456 -3.284 -3.684 1.00 0.00 C ATOM 396 O LEU A 25 6.220 -3.538 -2.528 1.00 0.00 O ATOM 397 CB LEU A 25 4.378 -2.557 -4.860 1.00 0.00 C ATOM 398 CG LEU A 25 4.094 -2.180 -6.317 1.00 0.00 C ATOM 399 CD1 LEU A 25 3.149 -0.979 -6.359 1.00 0.00 C ATOM 400 CD2 LEU A 25 5.404 -1.820 -7.021 1.00 0.00 C ATOM 0 H LEU A 25 4.831 -5.311 -3.654 1.00 0.00 H new ATOM 0 HA LEU A 25 6.027 -3.658 -5.735 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.468 -2.926 -4.387 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.692 -1.675 -4.302 1.00 0.00 H new ATOM 0 HG LEU A 25 3.631 -3.027 -6.824 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.947 -0.711 -7.396 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.213 -1.235 -5.862 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.612 -0.134 -5.849 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.198 -1.552 -8.057 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.870 -0.975 -6.513 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.079 -2.676 -6.994 1.00 0.00 H new ATOM 412 N THR A 26 7.566 -2.692 -4.030 1.00 0.00 N ATOM 413 CA THR A 26 8.568 -2.320 -2.990 1.00 0.00 C ATOM 414 C THR A 26 8.163 -0.993 -2.345 1.00 0.00 C ATOM 415 O THR A 26 7.287 -0.301 -2.824 1.00 0.00 O ATOM 416 CB THR A 26 9.947 -2.174 -3.639 1.00 0.00 C ATOM 417 OG1 THR A 26 9.903 -1.138 -4.609 1.00 0.00 O ATOM 418 CG2 THR A 26 10.339 -3.489 -4.313 1.00 0.00 C ATOM 0 H THR A 26 7.823 -2.450 -4.987 1.00 0.00 H new ATOM 0 HA THR A 26 8.607 -3.098 -2.227 1.00 0.00 H new ATOM 0 HB THR A 26 10.684 -1.927 -2.875 1.00 0.00 H new ATOM 0 HG1 THR A 26 9.437 -1.459 -5.409 1.00 0.00 H new ATOM 0 HG21 THR A 26 11.321 -3.383 -4.774 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.372 -4.284 -3.568 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.604 -3.739 -5.078 1.00 0.00 H new ATOM 426 N LEU A 27 8.794 -0.631 -1.260 1.00 0.00 N ATOM 427 CA LEU A 27 8.443 0.652 -0.584 1.00 0.00 C ATOM 428 C LEU A 27 8.826 1.830 -1.483 1.00 0.00 C ATOM 429 O LEU A 27 8.241 2.893 -1.414 1.00 0.00 O ATOM 430 CB LEU A 27 9.201 0.754 0.742 1.00 0.00 C ATOM 431 CG LEU A 27 8.504 -0.108 1.797 1.00 0.00 C ATOM 432 CD1 LEU A 27 9.519 -1.057 2.436 1.00 0.00 C ATOM 433 CD2 LEU A 27 7.903 0.794 2.876 1.00 0.00 C ATOM 0 H LEU A 27 9.537 -1.168 -0.813 1.00 0.00 H new ATOM 0 HA LEU A 27 7.370 0.678 -0.393 1.00 0.00 H new ATOM 0 HB2 LEU A 27 10.231 0.424 0.610 1.00 0.00 H new ATOM 0 HB3 LEU A 27 9.239 1.792 1.072 1.00 0.00 H new ATOM 0 HG LEU A 27 7.712 -0.689 1.324 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.021 -1.670 3.187 1.00 0.00 H new ATOM 0 HD12 LEU A 27 9.948 -1.701 1.668 1.00 0.00 H new ATOM 0 HD13 LEU A 27 10.312 -0.477 2.908 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.406 0.181 3.628 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.696 1.375 3.348 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.178 1.470 2.423 1.00 0.00 H new ATOM 445 N ASN A 28 9.808 1.653 -2.323 1.00 0.00 N ATOM 446 CA ASN A 28 10.226 2.765 -3.222 1.00 0.00 C ATOM 447 C ASN A 28 9.173 2.970 -4.314 1.00 0.00 C ATOM 448 O ASN A 28 8.785 4.081 -4.615 1.00 0.00 O ATOM 449 CB ASN A 28 11.570 2.420 -3.868 1.00 0.00 C ATOM 450 CG ASN A 28 12.445 3.673 -3.925 1.00 0.00 C ATOM 451 OD1 ASN A 28 12.155 4.598 -4.658 1.00 0.00 O ATOM 452 ND2 ASN A 28 13.512 3.743 -3.177 1.00 0.00 N ATOM 0 H ASN A 28 10.338 0.788 -2.426 1.00 0.00 H new ATOM 0 HA ASN A 28 10.325 3.681 -2.640 1.00 0.00 H new ATOM 0 HB2 ASN A 28 12.071 1.639 -3.296 1.00 0.00 H new ATOM 0 HB3 ASN A 28 11.413 2.027 -4.873 1.00 0.00 H new ATOM 0 HD21 ASN A 28 14.103 4.574 -3.208 1.00 0.00 H new ATOM 0 HD22 ASN A 28 13.755 2.967 -2.562 1.00 0.00 H new ATOM 459 N GLU A 29 8.712 1.905 -4.912 1.00 0.00 N ATOM 460 CA GLU A 29 7.689 2.033 -5.988 1.00 0.00 C ATOM 461 C GLU A 29 6.456 2.765 -5.450 1.00 0.00 C ATOM 462 O GLU A 29 6.018 3.753 -6.005 1.00 0.00 O ATOM 463 CB GLU A 29 7.280 0.640 -6.469 1.00 0.00 C ATOM 464 CG GLU A 29 7.805 0.409 -7.887 1.00 0.00 C ATOM 465 CD GLU A 29 8.190 -1.062 -8.056 1.00 0.00 C ATOM 466 OE1 GLU A 29 8.284 -1.747 -7.051 1.00 0.00 O ATOM 467 OE2 GLU A 29 8.386 -1.477 -9.187 1.00 0.00 O ATOM 0 H GLU A 29 9.001 0.950 -4.701 1.00 0.00 H new ATOM 0 HA GLU A 29 8.111 2.600 -6.818 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.678 -0.119 -5.795 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.194 0.543 -6.453 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.043 0.683 -8.617 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.670 1.046 -8.074 1.00 0.00 H new ATOM 474 N ILE A 30 5.890 2.284 -4.378 1.00 0.00 N ATOM 475 CA ILE A 30 4.682 2.950 -3.810 1.00 0.00 C ATOM 476 C ILE A 30 4.981 4.430 -3.567 1.00 0.00 C ATOM 477 O ILE A 30 4.163 5.289 -3.829 1.00 0.00 O ATOM 478 CB ILE A 30 4.302 2.284 -2.486 1.00 0.00 C ATOM 479 CG1 ILE A 30 5.567 2.003 -1.672 1.00 0.00 C ATOM 480 CG2 ILE A 30 3.575 0.967 -2.764 1.00 0.00 C ATOM 481 CD1 ILE A 30 5.546 2.835 -0.388 1.00 0.00 C ATOM 0 H ILE A 30 6.211 1.459 -3.870 1.00 0.00 H new ATOM 0 HA ILE A 30 3.855 2.856 -4.513 1.00 0.00 H new ATOM 0 HB ILE A 30 3.647 2.949 -1.923 1.00 0.00 H new ATOM 0 HG12 ILE A 30 5.627 0.942 -1.429 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.452 2.246 -2.260 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.305 0.494 -1.820 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.672 1.165 -3.342 1.00 0.00 H new ATOM 0 HG23 ILE A 30 4.229 0.303 -3.329 1.00 0.00 H new ATOM 0 HD11 ILE A 30 6.448 2.634 0.191 1.00 0.00 H new ATOM 0 HD12 ILE A 30 5.506 3.894 -0.642 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.669 2.570 0.203 1.00 0.00 H new ATOM 493 N TYR A 31 6.145 4.735 -3.064 1.00 0.00 N ATOM 494 CA TYR A 31 6.491 6.161 -2.804 1.00 0.00 C ATOM 495 C TYR A 31 6.450 6.942 -4.119 1.00 0.00 C ATOM 496 O TYR A 31 5.880 8.013 -4.198 1.00 0.00 O ATOM 497 CB TYR A 31 7.895 6.247 -2.202 1.00 0.00 C ATOM 498 CG TYR A 31 7.949 7.387 -1.213 1.00 0.00 C ATOM 499 CD1 TYR A 31 7.306 8.597 -1.502 1.00 0.00 C ATOM 500 CD2 TYR A 31 8.646 7.234 -0.008 1.00 0.00 C ATOM 501 CE1 TYR A 31 7.358 9.654 -0.585 1.00 0.00 C ATOM 502 CE2 TYR A 31 8.697 8.291 0.910 1.00 0.00 C ATOM 503 CZ TYR A 31 8.053 9.501 0.621 1.00 0.00 C ATOM 504 OH TYR A 31 8.105 10.542 1.524 1.00 0.00 O ATOM 0 H TYR A 31 6.871 4.060 -2.822 1.00 0.00 H new ATOM 0 HA TYR A 31 5.772 6.587 -2.105 1.00 0.00 H new ATOM 0 HB2 TYR A 31 8.148 5.310 -1.707 1.00 0.00 H new ATOM 0 HB3 TYR A 31 8.632 6.400 -2.991 1.00 0.00 H new ATOM 0 HD1 TYR A 31 6.770 8.715 -2.432 1.00 0.00 H new ATOM 0 HD2 TYR A 31 9.144 6.302 0.213 1.00 0.00 H new ATOM 0 HE1 TYR A 31 6.862 10.587 -0.808 1.00 0.00 H new ATOM 0 HE2 TYR A 31 9.233 8.173 1.840 1.00 0.00 H new ATOM 0 HH TYR A 31 7.427 11.210 1.292 1.00 0.00 H new ATOM 514 N ASN A 32 7.048 6.416 -5.153 1.00 0.00 N ATOM 515 CA ASN A 32 7.040 7.132 -6.460 1.00 0.00 C ATOM 516 C ASN A 32 5.598 7.281 -6.951 1.00 0.00 C ATOM 517 O ASN A 32 5.191 8.331 -7.405 1.00 0.00 O ATOM 518 CB ASN A 32 7.849 6.332 -7.483 1.00 0.00 C ATOM 519 CG ASN A 32 9.343 6.572 -7.252 1.00 0.00 C ATOM 520 OD1 ASN A 32 9.732 7.135 -6.250 1.00 0.00 O ATOM 521 ND2 ASN A 32 10.203 6.163 -8.146 1.00 0.00 N ATOM 0 H ASN A 32 7.541 5.523 -5.149 1.00 0.00 H new ATOM 0 HA ASN A 32 7.485 8.120 -6.337 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.622 5.270 -7.392 1.00 0.00 H new ATOM 0 HB3 ASN A 32 7.574 6.631 -8.494 1.00 0.00 H new ATOM 0 HD21 ASN A 32 11.201 6.317 -8.002 1.00 0.00 H new ATOM 0 HD22 ASN A 32 9.877 5.690 -8.989 1.00 0.00 H new ATOM 528 N TRP A 33 4.824 6.234 -6.866 1.00 0.00 N ATOM 529 CA TRP A 33 3.412 6.306 -7.329 1.00 0.00 C ATOM 530 C TRP A 33 2.606 7.217 -6.398 1.00 0.00 C ATOM 531 O TRP A 33 1.865 8.074 -6.839 1.00 0.00 O ATOM 532 CB TRP A 33 2.805 4.902 -7.317 1.00 0.00 C ATOM 533 CG TRP A 33 1.451 4.934 -7.951 1.00 0.00 C ATOM 534 CD1 TRP A 33 1.187 4.604 -9.236 1.00 0.00 C ATOM 535 CD2 TRP A 33 0.176 5.305 -7.352 1.00 0.00 C ATOM 536 NE1 TRP A 33 -0.170 4.750 -9.465 1.00 0.00 N ATOM 537 CE2 TRP A 33 -0.836 5.180 -8.335 1.00 0.00 C ATOM 538 CE3 TRP A 33 -0.199 5.734 -6.065 1.00 0.00 C ATOM 539 CZ2 TRP A 33 -2.170 5.469 -8.051 1.00 0.00 C ATOM 540 CZ3 TRP A 33 -1.542 6.026 -5.776 1.00 0.00 C ATOM 541 CH2 TRP A 33 -2.526 5.894 -6.768 1.00 0.00 C ATOM 0 H TRP A 33 5.111 5.329 -6.494 1.00 0.00 H new ATOM 0 HA TRP A 33 3.384 6.711 -8.340 1.00 0.00 H new ATOM 0 HB2 TRP A 33 3.453 4.210 -7.855 1.00 0.00 H new ATOM 0 HB3 TRP A 33 2.729 4.537 -6.293 1.00 0.00 H new ATOM 0 HD1 TRP A 33 1.916 4.280 -9.964 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -0.623 4.563 -10.360 1.00 0.00 H new ATOM 0 HE3 TRP A 33 0.551 5.839 -5.295 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -2.924 5.365 -8.818 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -1.819 6.354 -4.785 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -3.557 6.121 -6.540 1.00 0.00 H new ATOM 552 N PHE A 34 2.737 7.030 -5.114 1.00 0.00 N ATOM 553 CA PHE A 34 1.973 7.875 -4.153 1.00 0.00 C ATOM 554 C PHE A 34 2.233 9.357 -4.437 1.00 0.00 C ATOM 555 O PHE A 34 1.318 10.152 -4.518 1.00 0.00 O ATOM 556 CB PHE A 34 2.414 7.542 -2.726 1.00 0.00 C ATOM 557 CG PHE A 34 1.500 6.485 -2.151 1.00 0.00 C ATOM 558 CD1 PHE A 34 1.333 5.266 -2.819 1.00 0.00 C ATOM 559 CD2 PHE A 34 0.817 6.727 -0.954 1.00 0.00 C ATOM 560 CE1 PHE A 34 0.483 4.288 -2.288 1.00 0.00 C ATOM 561 CE2 PHE A 34 -0.032 5.750 -0.422 1.00 0.00 C ATOM 562 CZ PHE A 34 -0.199 4.530 -1.089 1.00 0.00 C ATOM 0 H PHE A 34 3.341 6.327 -4.688 1.00 0.00 H new ATOM 0 HA PHE A 34 0.908 7.674 -4.265 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.444 7.186 -2.726 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.386 8.438 -2.107 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.860 5.080 -3.743 1.00 0.00 H new ATOM 0 HD2 PHE A 34 0.945 7.668 -0.440 1.00 0.00 H new ATOM 0 HE1 PHE A 34 0.353 3.348 -2.803 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.558 5.937 0.502 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.854 3.776 -0.679 1.00 0.00 H new ATOM 572 N THR A 35 3.472 9.738 -4.581 1.00 0.00 N ATOM 573 CA THR A 35 3.786 11.171 -4.850 1.00 0.00 C ATOM 574 C THR A 35 3.322 11.556 -6.257 1.00 0.00 C ATOM 575 O THR A 35 2.781 12.623 -6.471 1.00 0.00 O ATOM 576 CB THR A 35 5.297 11.392 -4.736 1.00 0.00 C ATOM 577 OG1 THR A 35 5.974 10.451 -5.556 1.00 0.00 O ATOM 578 CG2 THR A 35 5.731 11.211 -3.280 1.00 0.00 C ATOM 0 H THR A 35 4.281 9.120 -4.524 1.00 0.00 H new ATOM 0 HA THR A 35 3.266 11.792 -4.120 1.00 0.00 H new ATOM 0 HB THR A 35 5.544 12.402 -5.063 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.068 9.604 -5.073 1.00 0.00 H new ATOM 0 HG21 THR A 35 6.807 11.368 -3.199 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.210 11.934 -2.652 1.00 0.00 H new ATOM 0 HG23 THR A 35 5.486 10.201 -2.950 1.00 0.00 H new ATOM 586 N ARG A 36 3.533 10.702 -7.221 1.00 0.00 N ATOM 587 CA ARG A 36 3.107 11.032 -8.611 1.00 0.00 C ATOM 588 C ARG A 36 1.593 11.255 -8.654 1.00 0.00 C ATOM 589 O ARG A 36 1.116 12.238 -9.186 1.00 0.00 O ATOM 590 CB ARG A 36 3.480 9.881 -9.547 1.00 0.00 C ATOM 591 CG ARG A 36 4.204 10.435 -10.776 1.00 0.00 C ATOM 592 CD ARG A 36 5.431 11.234 -10.332 1.00 0.00 C ATOM 593 NE ARG A 36 6.631 10.746 -11.070 1.00 0.00 N ATOM 594 CZ ARG A 36 7.342 11.576 -11.784 1.00 0.00 C ATOM 595 NH1 ARG A 36 6.796 12.208 -12.788 1.00 0.00 N ATOM 596 NH2 ARG A 36 8.597 11.774 -11.493 1.00 0.00 N ATOM 0 H ARG A 36 3.981 9.793 -7.107 1.00 0.00 H new ATOM 0 HA ARG A 36 3.612 11.943 -8.933 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.119 9.168 -9.026 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.583 9.342 -9.853 1.00 0.00 H new ATOM 0 HG2 ARG A 36 4.507 9.618 -11.431 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.531 11.072 -11.351 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.278 12.296 -10.526 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.581 11.125 -9.258 1.00 0.00 H new ATOM 0 HE ARG A 36 6.897 9.763 -11.017 1.00 0.00 H new ATOM 0 HH11 ARG A 36 5.814 12.053 -13.015 1.00 0.00 H new ATOM 0 HH12 ARG A 36 7.352 12.856 -13.346 1.00 0.00 H new ATOM 0 HH21 ARG A 36 9.023 11.281 -10.708 1.00 0.00 H new ATOM 0 HH22 ARG A 36 9.154 12.422 -12.050 1.00 0.00 H new ATOM 610 N MET A 37 0.831 10.352 -8.100 1.00 0.00 N ATOM 611 CA MET A 37 -0.651 10.517 -8.117 1.00 0.00 C ATOM 612 C MET A 37 -1.055 11.607 -7.122 1.00 0.00 C ATOM 613 O MET A 37 -1.981 12.359 -7.352 1.00 0.00 O ATOM 614 CB MET A 37 -1.315 9.195 -7.726 1.00 0.00 C ATOM 615 CG MET A 37 -2.666 9.072 -8.432 1.00 0.00 C ATOM 616 SD MET A 37 -2.405 8.986 -10.221 1.00 0.00 S ATOM 617 CE MET A 37 -3.942 8.125 -10.635 1.00 0.00 C ATOM 0 H MET A 37 1.169 9.508 -7.637 1.00 0.00 H new ATOM 0 HA MET A 37 -0.974 10.803 -9.118 1.00 0.00 H new ATOM 0 HB2 MET A 37 -0.672 8.358 -8.000 1.00 0.00 H new ATOM 0 HB3 MET A 37 -1.452 9.151 -6.646 1.00 0.00 H new ATOM 0 HG2 MET A 37 -3.189 8.180 -8.087 1.00 0.00 H new ATOM 0 HG3 MET A 37 -3.296 9.927 -8.186 1.00 0.00 H new ATOM 0 HE1 MET A 37 -3.991 7.965 -11.712 1.00 0.00 H new ATOM 0 HE2 MET A 37 -3.969 7.163 -10.124 1.00 0.00 H new ATOM 0 HE3 MET A 37 -4.793 8.728 -10.319 1.00 0.00 H new ATOM 627 N PHE A 38 -0.366 11.700 -6.017 1.00 0.00 N ATOM 628 CA PHE A 38 -0.711 12.743 -5.011 1.00 0.00 C ATOM 629 C PHE A 38 0.579 13.272 -4.368 1.00 0.00 C ATOM 630 O PHE A 38 1.333 12.511 -3.796 1.00 0.00 O ATOM 631 CB PHE A 38 -1.602 12.132 -3.928 1.00 0.00 C ATOM 632 CG PHE A 38 -2.619 11.216 -4.564 1.00 0.00 C ATOM 633 CD1 PHE A 38 -3.798 11.745 -5.101 1.00 0.00 C ATOM 634 CD2 PHE A 38 -2.383 9.837 -4.615 1.00 0.00 C ATOM 635 CE1 PHE A 38 -4.743 10.895 -5.688 1.00 0.00 C ATOM 636 CE2 PHE A 38 -3.328 8.987 -5.203 1.00 0.00 C ATOM 637 CZ PHE A 38 -4.508 9.517 -5.739 1.00 0.00 C ATOM 0 H PHE A 38 0.420 11.099 -5.768 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.241 13.561 -5.500 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.994 11.576 -3.214 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.107 12.921 -3.371 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.979 12.809 -5.063 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.473 9.429 -4.201 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -5.653 11.303 -6.101 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.147 7.923 -5.243 1.00 0.00 H new ATOM 0 HZ PHE A 38 -5.237 8.862 -6.192 1.00 0.00 H new ATOM 647 N PRO A 39 0.799 14.560 -4.481 1.00 0.00 N ATOM 648 CA PRO A 39 1.996 15.205 -3.915 1.00 0.00 C ATOM 649 C PRO A 39 1.829 15.402 -2.406 1.00 0.00 C ATOM 650 O PRO A 39 2.769 15.711 -1.701 1.00 0.00 O ATOM 651 CB PRO A 39 2.057 16.552 -4.641 1.00 0.00 C ATOM 652 CG PRO A 39 0.623 16.841 -5.142 1.00 0.00 C ATOM 653 CD PRO A 39 -0.115 15.489 -5.177 1.00 0.00 C ATOM 0 HA PRO A 39 2.905 14.617 -4.046 1.00 0.00 H new ATOM 0 HB2 PRO A 39 2.401 17.340 -3.971 1.00 0.00 H new ATOM 0 HB3 PRO A 39 2.759 16.513 -5.474 1.00 0.00 H new ATOM 0 HG2 PRO A 39 0.115 17.542 -4.479 1.00 0.00 H new ATOM 0 HG3 PRO A 39 0.643 17.296 -6.132 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -1.080 15.549 -4.675 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -0.308 15.167 -6.200 1.00 0.00 H new ATOM 661 N TYR A 40 0.637 15.222 -1.906 1.00 0.00 N ATOM 662 CA TYR A 40 0.407 15.391 -0.445 1.00 0.00 C ATOM 663 C TYR A 40 1.300 14.409 0.321 1.00 0.00 C ATOM 664 O TYR A 40 1.833 14.724 1.366 1.00 0.00 O ATOM 665 CB TYR A 40 -1.070 15.112 -0.134 1.00 0.00 C ATOM 666 CG TYR A 40 -1.243 14.815 1.338 1.00 0.00 C ATOM 667 CD1 TYR A 40 -0.446 15.471 2.283 1.00 0.00 C ATOM 668 CD2 TYR A 40 -2.196 13.879 1.755 1.00 0.00 C ATOM 669 CE1 TYR A 40 -0.602 15.192 3.647 1.00 0.00 C ATOM 670 CE2 TYR A 40 -2.353 13.600 3.118 1.00 0.00 C ATOM 671 CZ TYR A 40 -1.556 14.256 4.064 1.00 0.00 C ATOM 672 OH TYR A 40 -1.710 13.979 5.408 1.00 0.00 O ATOM 0 H TYR A 40 -0.188 14.965 -2.448 1.00 0.00 H new ATOM 0 HA TYR A 40 0.652 16.409 -0.142 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -1.678 15.973 -0.413 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.422 14.268 -0.727 1.00 0.00 H new ATOM 0 HD1 TYR A 40 0.290 16.193 1.961 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -2.810 13.372 1.026 1.00 0.00 H new ATOM 0 HE1 TYR A 40 0.013 15.698 4.376 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -3.089 12.878 3.440 1.00 0.00 H new ATOM 0 HH TYR A 40 -2.415 13.308 5.525 1.00 0.00 H new ATOM 682 N PHE A 41 1.462 13.222 -0.192 1.00 0.00 N ATOM 683 CA PHE A 41 2.312 12.217 0.505 1.00 0.00 C ATOM 684 C PHE A 41 3.744 12.743 0.630 1.00 0.00 C ATOM 685 O PHE A 41 4.487 12.338 1.504 1.00 0.00 O ATOM 686 CB PHE A 41 2.312 10.914 -0.298 1.00 0.00 C ATOM 687 CG PHE A 41 1.088 10.106 0.061 1.00 0.00 C ATOM 688 CD1 PHE A 41 0.924 9.631 1.367 1.00 0.00 C ATOM 689 CD2 PHE A 41 0.118 9.832 -0.910 1.00 0.00 C ATOM 690 CE1 PHE A 41 -0.210 8.882 1.703 1.00 0.00 C ATOM 691 CE2 PHE A 41 -1.016 9.082 -0.575 1.00 0.00 C ATOM 692 CZ PHE A 41 -1.181 8.608 0.732 1.00 0.00 C ATOM 0 H PHE A 41 1.042 12.904 -1.065 1.00 0.00 H new ATOM 0 HA PHE A 41 1.912 12.034 1.503 1.00 0.00 H new ATOM 0 HB2 PHE A 41 2.318 11.132 -1.366 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.215 10.342 -0.085 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.673 9.842 2.116 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.244 10.199 -1.918 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -0.336 8.516 2.711 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -1.763 8.869 -1.325 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.057 8.031 0.991 1.00 0.00 H new ATOM 702 N ARG A 42 4.143 13.637 -0.232 1.00 0.00 N ATOM 703 CA ARG A 42 5.531 14.177 -0.154 1.00 0.00 C ATOM 704 C ARG A 42 5.597 15.287 0.900 1.00 0.00 C ATOM 705 O ARG A 42 5.931 16.416 0.604 1.00 0.00 O ATOM 706 CB ARG A 42 5.937 14.744 -1.515 1.00 0.00 C ATOM 707 CG ARG A 42 7.330 15.369 -1.411 1.00 0.00 C ATOM 708 CD ARG A 42 8.276 14.676 -2.392 1.00 0.00 C ATOM 709 NE ARG A 42 9.465 14.163 -1.655 1.00 0.00 N ATOM 710 CZ ARG A 42 10.444 13.596 -2.308 1.00 0.00 C ATOM 711 NH1 ARG A 42 10.267 13.205 -3.539 1.00 0.00 N ATOM 712 NH2 ARG A 42 11.599 13.422 -1.726 1.00 0.00 N ATOM 0 H ARG A 42 3.570 14.017 -0.986 1.00 0.00 H new ATOM 0 HA ARG A 42 6.213 13.374 0.125 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.936 13.953 -2.265 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.214 15.492 -1.840 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.279 16.435 -1.631 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.709 15.271 -0.394 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.762 13.855 -2.891 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.589 15.375 -3.168 1.00 0.00 H new ATOM 0 HE ARG A 42 9.515 14.255 -0.640 1.00 0.00 H new ATOM 0 HH11 ARG A 42 9.364 13.342 -3.993 1.00 0.00 H new ATOM 0 HH12 ARG A 42 11.032 12.762 -4.048 1.00 0.00 H new ATOM 0 HH21 ARG A 42 11.736 13.729 -0.763 1.00 0.00 H new ATOM 0 HH22 ARG A 42 12.365 12.979 -2.234 1.00 0.00 H new ATOM 726 N ARG A 43 5.286 14.973 2.127 1.00 0.00 N ATOM 727 CA ARG A 43 5.337 16.009 3.198 1.00 0.00 C ATOM 728 C ARG A 43 5.815 15.363 4.501 1.00 0.00 C ATOM 729 O ARG A 43 6.999 15.243 4.745 1.00 0.00 O ATOM 730 CB ARG A 43 3.943 16.605 3.399 1.00 0.00 C ATOM 731 CG ARG A 43 3.786 17.849 2.523 1.00 0.00 C ATOM 732 CD ARG A 43 4.486 19.036 3.188 1.00 0.00 C ATOM 733 NE ARG A 43 3.933 20.307 2.640 1.00 0.00 N ATOM 734 CZ ARG A 43 2.643 20.486 2.586 1.00 0.00 C ATOM 735 NH1 ARG A 43 1.910 20.277 3.647 1.00 0.00 N ATOM 736 NH2 ARG A 43 2.083 20.875 1.474 1.00 0.00 N ATOM 0 H ARG A 43 4.999 14.044 2.435 1.00 0.00 H new ATOM 0 HA ARG A 43 6.028 16.802 2.910 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.181 15.869 3.143 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.795 16.865 4.447 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.213 17.668 1.537 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.729 18.072 2.377 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.341 18.999 4.268 1.00 0.00 H new ATOM 0 HD3 ARG A 43 5.560 18.986 3.008 1.00 0.00 H new ATOM 0 HE ARG A 43 4.564 21.036 2.307 1.00 0.00 H new ATOM 0 HH11 ARG A 43 2.347 19.974 4.517 1.00 0.00 H new ATOM 0 HH12 ARG A 43 0.901 20.417 3.605 1.00 0.00 H new ATOM 0 HH21 ARG A 43 2.655 21.039 0.645 1.00 0.00 H new ATOM 0 HH22 ARG A 43 1.073 21.015 1.433 1.00 0.00 H new ATOM 750 N ASN A 44 4.906 14.936 5.334 1.00 0.00 N ATOM 751 CA ASN A 44 5.311 14.288 6.612 1.00 0.00 C ATOM 752 C ASN A 44 5.345 12.774 6.407 1.00 0.00 C ATOM 753 O ASN A 44 4.492 12.054 6.888 1.00 0.00 O ATOM 754 CB ASN A 44 4.299 14.633 7.706 1.00 0.00 C ATOM 755 CG ASN A 44 2.882 14.349 7.202 1.00 0.00 C ATOM 756 OD1 ASN A 44 2.703 13.851 6.108 1.00 0.00 O ATOM 757 ND2 ASN A 44 1.863 14.647 7.960 1.00 0.00 N ATOM 0 H ASN A 44 3.900 15.008 5.184 1.00 0.00 H new ATOM 0 HA ASN A 44 6.296 14.645 6.912 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.502 14.046 8.602 1.00 0.00 H new ATOM 0 HB3 ASN A 44 4.393 15.682 7.985 1.00 0.00 H new ATOM 0 HD21 ASN A 44 0.914 14.462 7.635 1.00 0.00 H new ATOM 0 HD22 ASN A 44 2.015 15.065 8.878 1.00 0.00 H new ATOM 764 N ALA A 45 6.313 12.285 5.683 1.00 0.00 N ATOM 765 CA ALA A 45 6.389 10.819 5.433 1.00 0.00 C ATOM 766 C ALA A 45 6.623 10.072 6.746 1.00 0.00 C ATOM 767 O ALA A 45 6.334 8.898 6.860 1.00 0.00 O ATOM 768 CB ALA A 45 7.534 10.522 4.462 1.00 0.00 C ATOM 0 H ALA A 45 7.055 12.838 5.254 1.00 0.00 H new ATOM 0 HA ALA A 45 5.447 10.485 4.998 1.00 0.00 H new ATOM 0 HB1 ALA A 45 7.588 9.449 4.280 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.356 11.041 3.520 1.00 0.00 H new ATOM 0 HB3 ALA A 45 8.475 10.865 4.893 1.00 0.00 H new ATOM 774 N ALA A 46 7.142 10.738 7.738 1.00 0.00 N ATOM 775 CA ALA A 46 7.389 10.054 9.036 1.00 0.00 C ATOM 776 C ALA A 46 6.064 9.538 9.605 1.00 0.00 C ATOM 777 O ALA A 46 6.020 8.531 10.284 1.00 0.00 O ATOM 778 CB ALA A 46 8.013 11.043 10.021 1.00 0.00 C ATOM 0 H ALA A 46 7.405 11.723 7.707 1.00 0.00 H new ATOM 0 HA ALA A 46 8.068 9.216 8.880 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.195 10.543 10.973 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.957 11.411 9.618 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.333 11.881 10.175 1.00 0.00 H new ATOM 784 N THR A 47 4.989 10.234 9.357 1.00 0.00 N ATOM 785 CA THR A 47 3.672 9.799 9.908 1.00 0.00 C ATOM 786 C THR A 47 3.014 8.716 9.034 1.00 0.00 C ATOM 787 O THR A 47 2.670 7.654 9.517 1.00 0.00 O ATOM 788 CB THR A 47 2.740 11.011 9.984 1.00 0.00 C ATOM 789 OG1 THR A 47 3.394 12.066 10.676 1.00 0.00 O ATOM 790 CG2 THR A 47 1.460 10.628 10.726 1.00 0.00 C ATOM 0 H THR A 47 4.964 11.086 8.796 1.00 0.00 H new ATOM 0 HA THR A 47 3.844 9.376 10.898 1.00 0.00 H new ATOM 0 HB THR A 47 2.487 11.339 8.976 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.799 12.844 10.724 1.00 0.00 H new ATOM 0 HG21 THR A 47 0.798 11.492 10.779 1.00 0.00 H new ATOM 0 HG22 THR A 47 0.959 9.819 10.194 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.709 10.299 11.735 1.00 0.00 H new ATOM 798 N TRP A 48 2.784 8.983 7.774 1.00 0.00 N ATOM 799 CA TRP A 48 2.091 7.972 6.914 1.00 0.00 C ATOM 800 C TRP A 48 2.956 6.728 6.663 1.00 0.00 C ATOM 801 O TRP A 48 2.439 5.653 6.437 1.00 0.00 O ATOM 802 CB TRP A 48 1.670 8.616 5.583 1.00 0.00 C ATOM 803 CG TRP A 48 2.814 8.741 4.631 1.00 0.00 C ATOM 804 CD1 TRP A 48 3.394 9.908 4.280 1.00 0.00 C ATOM 805 CD2 TRP A 48 3.496 7.700 3.867 1.00 0.00 C ATOM 806 NE1 TRP A 48 4.398 9.653 3.364 1.00 0.00 N ATOM 807 CE2 TRP A 48 4.502 8.308 3.080 1.00 0.00 C ATOM 808 CE3 TRP A 48 3.350 6.304 3.787 1.00 0.00 C ATOM 809 CZ2 TRP A 48 5.330 7.561 2.241 1.00 0.00 C ATOM 810 CZ3 TRP A 48 4.182 5.549 2.943 1.00 0.00 C ATOM 811 CH2 TRP A 48 5.170 6.175 2.174 1.00 0.00 C ATOM 0 H TRP A 48 3.043 9.851 7.304 1.00 0.00 H new ATOM 0 HA TRP A 48 1.203 7.637 7.451 1.00 0.00 H new ATOM 0 HB2 TRP A 48 0.882 8.018 5.125 1.00 0.00 H new ATOM 0 HB3 TRP A 48 1.250 9.603 5.776 1.00 0.00 H new ATOM 0 HD1 TRP A 48 3.119 10.883 4.654 1.00 0.00 H new ATOM 0 HE1 TRP A 48 4.990 10.373 2.949 1.00 0.00 H new ATOM 0 HE3 TRP A 48 2.594 5.809 4.378 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 6.088 8.051 1.648 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 4.058 4.478 2.887 1.00 0.00 H new ATOM 0 HH2 TRP A 48 5.807 5.587 1.530 1.00 0.00 H new ATOM 822 N LYS A 49 4.252 6.841 6.704 1.00 0.00 N ATOM 823 CA LYS A 49 5.101 5.638 6.467 1.00 0.00 C ATOM 824 C LYS A 49 4.906 4.640 7.612 1.00 0.00 C ATOM 825 O LYS A 49 4.876 3.443 7.405 1.00 0.00 O ATOM 826 CB LYS A 49 6.572 6.046 6.398 1.00 0.00 C ATOM 827 CG LYS A 49 7.405 4.871 5.882 1.00 0.00 C ATOM 828 CD LYS A 49 7.183 4.705 4.376 1.00 0.00 C ATOM 829 CE LYS A 49 8.488 4.994 3.633 1.00 0.00 C ATOM 830 NZ LYS A 49 8.395 4.472 2.240 1.00 0.00 N ATOM 0 H LYS A 49 4.759 7.706 6.890 1.00 0.00 H new ATOM 0 HA LYS A 49 4.810 5.176 5.524 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.691 6.907 5.740 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.923 6.349 7.385 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.462 5.044 6.087 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.124 3.956 6.404 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.844 3.692 4.157 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.401 5.384 4.036 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.680 6.067 3.618 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.325 4.527 4.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.250 3.923 2.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.559 3.860 2.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.311 5.268 1.576 1.00 0.00 H new ATOM 844 N ASN A 50 4.776 5.122 8.818 1.00 0.00 N ATOM 845 CA ASN A 50 4.587 4.197 9.972 1.00 0.00 C ATOM 846 C ASN A 50 3.155 3.657 9.967 1.00 0.00 C ATOM 847 O ASN A 50 2.922 2.487 10.197 1.00 0.00 O ATOM 848 CB ASN A 50 4.841 4.949 11.281 1.00 0.00 C ATOM 849 CG ASN A 50 6.249 5.545 11.267 1.00 0.00 C ATOM 850 OD1 ASN A 50 6.830 5.740 10.217 1.00 0.00 O ATOM 851 ND2 ASN A 50 6.828 5.845 12.398 1.00 0.00 N ATOM 0 H ASN A 50 4.792 6.114 9.054 1.00 0.00 H new ATOM 0 HA ASN A 50 5.290 3.368 9.887 1.00 0.00 H new ATOM 0 HB2 ASN A 50 4.102 5.740 11.407 1.00 0.00 H new ATOM 0 HB3 ASN A 50 4.730 4.272 12.128 1.00 0.00 H new ATOM 0 HD21 ASN A 50 7.767 6.243 12.400 1.00 0.00 H new ATOM 0 HD22 ASN A 50 6.341 5.682 13.279 1.00 0.00 H new ATOM 858 N ALA A 51 2.193 4.500 9.711 1.00 0.00 N ATOM 859 CA ALA A 51 0.779 4.034 9.696 1.00 0.00 C ATOM 860 C ALA A 51 0.620 2.912 8.668 1.00 0.00 C ATOM 861 O ALA A 51 -0.083 1.947 8.891 1.00 0.00 O ATOM 862 CB ALA A 51 -0.139 5.200 9.324 1.00 0.00 C ATOM 0 H ALA A 51 2.326 5.491 9.512 1.00 0.00 H new ATOM 0 HA ALA A 51 0.511 3.661 10.684 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.174 4.859 9.313 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.028 5.999 10.057 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.130 5.574 8.336 1.00 0.00 H new ATOM 868 N VAL A 52 1.268 3.031 7.543 1.00 0.00 N ATOM 869 CA VAL A 52 1.154 1.970 6.504 1.00 0.00 C ATOM 870 C VAL A 52 1.791 0.683 7.026 1.00 0.00 C ATOM 871 O VAL A 52 1.245 -0.393 6.887 1.00 0.00 O ATOM 872 CB VAL A 52 1.871 2.421 5.230 1.00 0.00 C ATOM 873 CG1 VAL A 52 1.921 1.261 4.234 1.00 0.00 C ATOM 874 CG2 VAL A 52 1.111 3.595 4.608 1.00 0.00 C ATOM 0 H VAL A 52 1.871 3.816 7.298 1.00 0.00 H new ATOM 0 HA VAL A 52 0.103 1.790 6.278 1.00 0.00 H new ATOM 0 HB VAL A 52 2.886 2.733 5.475 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.432 1.583 3.326 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.461 0.424 4.677 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.906 0.949 3.988 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.620 3.918 3.700 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.096 3.282 4.363 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.075 4.422 5.317 1.00 0.00 H new ATOM 884 N ARG A 53 2.943 0.784 7.634 1.00 0.00 N ATOM 885 CA ARG A 53 3.609 -0.437 8.171 1.00 0.00 C ATOM 886 C ARG A 53 2.639 -1.168 9.100 1.00 0.00 C ATOM 887 O ARG A 53 2.506 -2.375 9.050 1.00 0.00 O ATOM 888 CB ARG A 53 4.862 -0.034 8.952 1.00 0.00 C ATOM 889 CG ARG A 53 5.932 -1.116 8.797 1.00 0.00 C ATOM 890 CD ARG A 53 7.148 -0.532 8.075 1.00 0.00 C ATOM 891 NE ARG A 53 8.386 -1.196 8.569 1.00 0.00 N ATOM 892 CZ ARG A 53 9.550 -0.837 8.101 1.00 0.00 C ATOM 893 NH1 ARG A 53 9.702 -0.633 6.821 1.00 0.00 N ATOM 894 NH2 ARG A 53 10.562 -0.683 8.911 1.00 0.00 N ATOM 0 H ARG A 53 3.450 1.657 7.781 1.00 0.00 H new ATOM 0 HA ARG A 53 3.894 -1.093 7.348 1.00 0.00 H new ATOM 0 HB2 ARG A 53 5.240 0.921 8.586 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.618 0.103 10.006 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.225 -1.496 9.776 1.00 0.00 H new ATOM 0 HG3 ARG A 53 5.532 -1.960 8.234 1.00 0.00 H new ATOM 0 HD2 ARG A 53 7.050 -0.677 6.999 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.205 0.543 8.248 1.00 0.00 H new ATOM 0 HE ARG A 53 8.324 -1.931 9.273 1.00 0.00 H new ATOM 0 HH11 ARG A 53 8.912 -0.754 6.188 1.00 0.00 H new ATOM 0 HH12 ARG A 53 10.611 -0.352 6.454 1.00 0.00 H new ATOM 0 HH21 ARG A 53 10.444 -0.843 9.911 1.00 0.00 H new ATOM 0 HH22 ARG A 53 11.471 -0.402 8.544 1.00 0.00 H new ATOM 908 N HIS A 54 1.958 -0.444 9.945 1.00 0.00 N ATOM 909 CA HIS A 54 0.991 -1.091 10.875 1.00 0.00 C ATOM 910 C HIS A 54 -0.106 -1.783 10.061 1.00 0.00 C ATOM 911 O HIS A 54 -0.265 -2.986 10.111 1.00 0.00 O ATOM 912 CB HIS A 54 0.366 -0.023 11.779 1.00 0.00 C ATOM 913 CG HIS A 54 -0.835 -0.593 12.482 1.00 0.00 C ATOM 914 ND1 HIS A 54 -2.116 -0.112 12.266 1.00 0.00 N ATOM 915 CD2 HIS A 54 -0.965 -1.604 13.401 1.00 0.00 C ATOM 916 CE1 HIS A 54 -2.955 -0.827 13.038 1.00 0.00 C ATOM 917 NE2 HIS A 54 -2.303 -1.750 13.751 1.00 0.00 N ATOM 0 H HIS A 54 2.030 0.570 10.031 1.00 0.00 H new ATOM 0 HA HIS A 54 1.507 -1.829 11.490 1.00 0.00 H new ATOM 0 HB2 HIS A 54 1.097 0.322 12.510 1.00 0.00 H new ATOM 0 HB3 HIS A 54 0.075 0.844 11.186 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -0.151 -2.196 13.793 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -4.023 -0.674 13.076 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -2.701 -2.418 14.411 1.00 0.00 H new ATOM 925 N ASN A 55 -0.862 -1.031 9.310 1.00 0.00 N ATOM 926 CA ASN A 55 -1.946 -1.645 8.491 1.00 0.00 C ATOM 927 C ASN A 55 -1.356 -2.756 7.617 1.00 0.00 C ATOM 928 O ASN A 55 -2.040 -3.677 7.219 1.00 0.00 O ATOM 929 CB ASN A 55 -2.571 -0.577 7.592 1.00 0.00 C ATOM 930 CG ASN A 55 -3.707 0.125 8.339 1.00 0.00 C ATOM 931 OD1 ASN A 55 -4.236 -0.400 9.297 1.00 0.00 O ATOM 932 ND2 ASN A 55 -4.106 1.302 7.937 1.00 0.00 N ATOM 0 H ASN A 55 -0.777 -0.018 9.228 1.00 0.00 H new ATOM 0 HA ASN A 55 -2.708 -2.061 9.150 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -1.815 0.150 7.294 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.951 -1.034 6.678 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -4.862 1.779 8.428 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.662 1.744 7.132 1.00 0.00 H new ATOM 939 N LEU A 56 -0.092 -2.664 7.309 1.00 0.00 N ATOM 940 CA LEU A 56 0.556 -3.699 6.450 1.00 0.00 C ATOM 941 C LEU A 56 0.667 -5.030 7.204 1.00 0.00 C ATOM 942 O LEU A 56 0.313 -6.073 6.690 1.00 0.00 O ATOM 943 CB LEU A 56 1.961 -3.220 6.068 1.00 0.00 C ATOM 944 CG LEU A 56 1.991 -2.751 4.606 1.00 0.00 C ATOM 945 CD1 LEU A 56 0.696 -2.006 4.262 1.00 0.00 C ATOM 946 CD2 LEU A 56 3.179 -1.809 4.406 1.00 0.00 C ATOM 0 H LEU A 56 0.525 -1.912 7.617 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.050 -3.850 5.557 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.264 -2.404 6.724 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.679 -4.028 6.212 1.00 0.00 H new ATOM 0 HG LEU A 56 2.086 -3.620 3.955 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.730 -1.679 3.223 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.156 -2.671 4.406 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.592 -1.138 4.913 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.206 -1.472 3.370 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.075 -0.947 5.065 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.104 -2.335 4.641 1.00 0.00 H new ATOM 958 N SER A 57 1.173 -5.008 8.407 1.00 0.00 N ATOM 959 CA SER A 57 1.325 -6.279 9.176 1.00 0.00 C ATOM 960 C SER A 57 -0.040 -6.779 9.660 1.00 0.00 C ATOM 961 O SER A 57 -0.279 -7.967 9.741 1.00 0.00 O ATOM 962 CB SER A 57 2.232 -6.036 10.381 1.00 0.00 C ATOM 963 OG SER A 57 3.590 -6.148 9.975 1.00 0.00 O ATOM 0 H SER A 57 1.488 -4.167 8.891 1.00 0.00 H new ATOM 0 HA SER A 57 1.766 -7.034 8.525 1.00 0.00 H new ATOM 0 HB2 SER A 57 2.045 -5.046 10.798 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.014 -6.759 11.167 1.00 0.00 H new ATOM 0 HG SER A 57 4.176 -5.991 10.745 1.00 0.00 H new ATOM 969 N LEU A 58 -0.934 -5.890 9.993 1.00 0.00 N ATOM 970 CA LEU A 58 -2.273 -6.330 10.481 1.00 0.00 C ATOM 971 C LEU A 58 -3.092 -6.889 9.315 1.00 0.00 C ATOM 972 O LEU A 58 -3.608 -7.987 9.379 1.00 0.00 O ATOM 973 CB LEU A 58 -3.011 -5.137 11.096 1.00 0.00 C ATOM 974 CG LEU A 58 -3.918 -5.626 12.229 1.00 0.00 C ATOM 975 CD1 LEU A 58 -3.059 -6.101 13.403 1.00 0.00 C ATOM 976 CD2 LEU A 58 -4.820 -4.478 12.691 1.00 0.00 C ATOM 0 H LEU A 58 -0.797 -4.880 9.949 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.142 -7.107 11.234 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.294 -4.410 11.478 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.604 -4.631 10.334 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.533 -6.452 11.871 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.705 -6.449 14.209 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.415 -6.917 13.076 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.444 -5.275 13.761 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.466 -4.825 13.497 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.204 -3.653 13.049 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.433 -4.138 11.856 1.00 0.00 H new ATOM 988 N HIS A 59 -3.217 -6.145 8.251 1.00 0.00 N ATOM 989 CA HIS A 59 -4.004 -6.640 7.086 1.00 0.00 C ATOM 990 C HIS A 59 -3.452 -7.994 6.634 1.00 0.00 C ATOM 991 O HIS A 59 -2.311 -8.108 6.233 1.00 0.00 O ATOM 992 CB HIS A 59 -3.898 -5.633 5.943 1.00 0.00 C ATOM 993 CG HIS A 59 -4.745 -4.430 6.256 1.00 0.00 C ATOM 994 ND1 HIS A 59 -4.599 -3.099 5.952 1.00 0.00 N flip ATOM 995 CD2 HIS A 59 -5.919 -4.526 6.986 1.00 0.00 C flip ATOM 996 CE1 HIS A 59 -5.666 -2.378 6.482 1.00 0.00 C flip ATOM 997 NE2 HIS A 59 -6.431 -3.285 7.095 1.00 0.00 N flip ATOM 0 H HIS A 59 -2.809 -5.217 8.138 1.00 0.00 H new ATOM 0 HA HIS A 59 -5.049 -6.757 7.372 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -2.859 -5.334 5.803 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -4.227 -6.090 5.010 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -6.346 -5.431 7.393 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -5.838 -1.314 6.412 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -7.298 -3.065 7.586 1.00 0.00 H new ATOM 1005 N LYS A 60 -4.251 -9.023 6.705 1.00 0.00 N ATOM 1006 CA LYS A 60 -3.771 -10.373 6.288 1.00 0.00 C ATOM 1007 C LYS A 60 -3.793 -10.491 4.762 1.00 0.00 C ATOM 1008 O LYS A 60 -3.095 -11.302 4.187 1.00 0.00 O ATOM 1009 CB LYS A 60 -4.682 -11.442 6.894 1.00 0.00 C ATOM 1010 CG LYS A 60 -3.990 -12.804 6.820 1.00 0.00 C ATOM 1011 CD LYS A 60 -4.822 -13.839 7.578 1.00 0.00 C ATOM 1012 CE LYS A 60 -4.603 -15.222 6.963 1.00 0.00 C ATOM 1013 NZ LYS A 60 -5.746 -16.110 7.315 1.00 0.00 N ATOM 0 H LYS A 60 -5.216 -8.988 7.034 1.00 0.00 H new ATOM 0 HA LYS A 60 -2.749 -10.514 6.640 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.911 -11.195 7.931 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -5.630 -11.474 6.357 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -3.871 -13.108 5.780 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.990 -12.740 7.249 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -4.538 -13.849 8.630 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -5.878 -13.574 7.535 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -4.513 -15.140 5.880 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -3.670 -15.651 7.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -5.597 -17.050 6.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -5.812 -16.198 8.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -6.629 -15.703 6.945 1.00 0.00 H new ATOM 1027 N TYR A 61 -4.585 -9.694 4.097 1.00 0.00 N ATOM 1028 CA TYR A 61 -4.633 -9.779 2.610 1.00 0.00 C ATOM 1029 C TYR A 61 -3.345 -9.193 2.024 1.00 0.00 C ATOM 1030 O TYR A 61 -3.074 -9.317 0.846 1.00 0.00 O ATOM 1031 CB TYR A 61 -5.846 -9.007 2.086 1.00 0.00 C ATOM 1032 CG TYR A 61 -5.734 -7.553 2.474 1.00 0.00 C ATOM 1033 CD1 TYR A 61 -4.954 -6.683 1.704 1.00 0.00 C ATOM 1034 CD2 TYR A 61 -6.414 -7.074 3.599 1.00 0.00 C ATOM 1035 CE1 TYR A 61 -4.854 -5.334 2.060 1.00 0.00 C ATOM 1036 CE2 TYR A 61 -6.314 -5.724 3.955 1.00 0.00 C ATOM 1037 CZ TYR A 61 -5.533 -4.854 3.186 1.00 0.00 C ATOM 1038 OH TYR A 61 -5.435 -3.523 3.536 1.00 0.00 O ATOM 0 H TYR A 61 -5.196 -8.993 4.515 1.00 0.00 H new ATOM 0 HA TYR A 61 -4.722 -10.823 2.308 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -5.907 -9.100 1.002 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -6.763 -9.432 2.494 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -4.430 -7.053 0.835 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -7.016 -7.746 4.193 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -4.252 -4.662 1.466 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -6.839 -5.354 4.823 1.00 0.00 H new ATOM 0 HH TYR A 61 -4.640 -3.389 4.094 1.00 0.00 H new ATOM 1048 N PHE A 62 -2.542 -8.569 2.843 1.00 0.00 N ATOM 1049 CA PHE A 62 -1.263 -7.990 2.342 1.00 0.00 C ATOM 1050 C PHE A 62 -0.157 -9.034 2.506 1.00 0.00 C ATOM 1051 O PHE A 62 0.025 -9.586 3.573 1.00 0.00 O ATOM 1052 CB PHE A 62 -0.910 -6.748 3.167 1.00 0.00 C ATOM 1053 CG PHE A 62 -1.364 -5.504 2.443 1.00 0.00 C ATOM 1054 CD1 PHE A 62 -0.999 -5.297 1.108 1.00 0.00 C ATOM 1055 CD2 PHE A 62 -2.147 -4.553 3.109 1.00 0.00 C ATOM 1056 CE1 PHE A 62 -1.415 -4.139 0.440 1.00 0.00 C ATOM 1057 CE2 PHE A 62 -2.563 -3.395 2.442 1.00 0.00 C ATOM 1058 CZ PHE A 62 -2.197 -3.188 1.107 1.00 0.00 C ATOM 0 H PHE A 62 -2.717 -8.435 3.839 1.00 0.00 H new ATOM 0 HA PHE A 62 -1.365 -7.712 1.293 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -1.386 -6.804 4.146 1.00 0.00 H new ATOM 0 HB3 PHE A 62 0.166 -6.708 3.338 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -0.396 -6.031 0.593 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -2.430 -4.713 4.139 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -1.133 -3.979 -0.590 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -3.166 -2.662 2.957 1.00 0.00 H new ATOM 0 HZ PHE A 62 -2.518 -2.295 0.591 1.00 0.00 H new ATOM 1068 N VAL A 63 0.585 -9.321 1.469 1.00 0.00 N ATOM 1069 CA VAL A 63 1.664 -10.339 1.606 1.00 0.00 C ATOM 1070 C VAL A 63 3.002 -9.731 1.186 1.00 0.00 C ATOM 1071 O VAL A 63 3.057 -8.825 0.379 1.00 0.00 O ATOM 1072 CB VAL A 63 1.348 -11.546 0.723 1.00 0.00 C ATOM 1073 CG1 VAL A 63 2.354 -12.662 1.009 1.00 0.00 C ATOM 1074 CG2 VAL A 63 -0.066 -12.045 1.029 1.00 0.00 C ATOM 0 H VAL A 63 0.492 -8.900 0.545 1.00 0.00 H new ATOM 0 HA VAL A 63 1.725 -10.660 2.646 1.00 0.00 H new ATOM 0 HB VAL A 63 1.413 -11.257 -0.326 1.00 0.00 H new ATOM 0 HG11 VAL A 63 2.130 -13.524 0.380 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.362 -12.307 0.793 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.288 -12.951 2.058 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.292 -12.906 0.400 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.130 -12.335 2.078 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.784 -11.250 0.828 1.00 0.00 H new ATOM 1084 N ARG A 64 4.082 -10.225 1.728 1.00 0.00 N ATOM 1085 CA ARG A 64 5.417 -9.677 1.360 1.00 0.00 C ATOM 1086 C ARG A 64 6.341 -10.821 0.944 1.00 0.00 C ATOM 1087 O ARG A 64 6.263 -11.917 1.463 1.00 0.00 O ATOM 1088 CB ARG A 64 6.021 -8.948 2.563 1.00 0.00 C ATOM 1089 CG ARG A 64 7.321 -8.259 2.143 1.00 0.00 C ATOM 1090 CD ARG A 64 8.014 -7.677 3.377 1.00 0.00 C ATOM 1091 NE ARG A 64 8.197 -6.208 3.199 1.00 0.00 N ATOM 1092 CZ ARG A 64 8.749 -5.499 4.144 1.00 0.00 C ATOM 1093 NH1 ARG A 64 9.755 -5.981 4.819 1.00 0.00 N ATOM 1094 NH2 ARG A 64 8.295 -4.306 4.414 1.00 0.00 N ATOM 0 H ARG A 64 4.097 -10.984 2.409 1.00 0.00 H new ATOM 0 HA ARG A 64 5.305 -8.979 0.531 1.00 0.00 H new ATOM 0 HB2 ARG A 64 5.315 -8.212 2.948 1.00 0.00 H new ATOM 0 HB3 ARG A 64 6.216 -9.655 3.370 1.00 0.00 H new ATOM 0 HG2 ARG A 64 7.979 -8.972 1.646 1.00 0.00 H new ATOM 0 HG3 ARG A 64 7.109 -7.467 1.425 1.00 0.00 H new ATOM 0 HD2 ARG A 64 7.419 -7.875 4.268 1.00 0.00 H new ATOM 0 HD3 ARG A 64 8.980 -8.159 3.526 1.00 0.00 H new ATOM 0 HE ARG A 64 7.890 -5.757 2.337 1.00 0.00 H new ATOM 0 HH11 ARG A 64 10.111 -6.913 4.608 1.00 0.00 H new ATOM 0 HH12 ARG A 64 10.186 -5.426 5.558 1.00 0.00 H new ATOM 0 HH21 ARG A 64 7.508 -3.928 3.886 1.00 0.00 H new ATOM 0 HH22 ARG A 64 8.727 -3.751 5.153 1.00 0.00 H new ATOM 1108 N VAL A 65 7.219 -10.572 0.012 1.00 0.00 N ATOM 1109 CA VAL A 65 8.151 -11.635 -0.436 1.00 0.00 C ATOM 1110 C VAL A 65 9.590 -11.151 -0.253 1.00 0.00 C ATOM 1111 O VAL A 65 10.153 -10.511 -1.118 1.00 0.00 O ATOM 1112 CB VAL A 65 7.900 -11.953 -1.913 1.00 0.00 C ATOM 1113 CG1 VAL A 65 8.969 -12.925 -2.420 1.00 0.00 C ATOM 1114 CG2 VAL A 65 6.520 -12.596 -2.065 1.00 0.00 C ATOM 0 H VAL A 65 7.329 -9.673 -0.458 1.00 0.00 H new ATOM 0 HA VAL A 65 7.989 -12.536 0.156 1.00 0.00 H new ATOM 0 HB VAL A 65 7.943 -11.032 -2.494 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.788 -13.149 -3.471 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.954 -12.472 -2.310 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.927 -13.847 -1.840 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.338 -12.824 -3.115 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.481 -13.516 -1.482 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.756 -11.907 -1.706 1.00 0.00 H new ATOM 1124 N GLU A 66 10.186 -11.449 0.870 1.00 0.00 N ATOM 1125 CA GLU A 66 11.585 -11.005 1.114 1.00 0.00 C ATOM 1126 C GLU A 66 12.518 -11.667 0.100 1.00 0.00 C ATOM 1127 O GLU A 66 12.625 -12.875 0.036 1.00 0.00 O ATOM 1128 CB GLU A 66 12.007 -11.403 2.529 1.00 0.00 C ATOM 1129 CG GLU A 66 13.406 -10.856 2.817 1.00 0.00 C ATOM 1130 CD GLU A 66 13.749 -11.083 4.290 1.00 0.00 C ATOM 1131 OE1 GLU A 66 13.200 -12.004 4.870 1.00 0.00 O ATOM 1132 OE2 GLU A 66 14.556 -10.332 4.812 1.00 0.00 O ATOM 0 H GLU A 66 9.762 -11.982 1.629 1.00 0.00 H new ATOM 0 HA GLU A 66 11.644 -9.922 1.007 1.00 0.00 H new ATOM 0 HB2 GLU A 66 11.295 -11.012 3.256 1.00 0.00 H new ATOM 0 HB3 GLU A 66 12.001 -12.488 2.630 1.00 0.00 H new ATOM 0 HG2 GLU A 66 14.140 -11.351 2.181 1.00 0.00 H new ATOM 0 HG3 GLU A 66 13.448 -9.792 2.583 1.00 0.00 H new ATOM 1139 N ASN A 67 13.195 -10.884 -0.694 1.00 0.00 N ATOM 1140 CA ASN A 67 14.117 -11.464 -1.701 1.00 0.00 C ATOM 1141 C ASN A 67 15.529 -10.917 -1.480 1.00 0.00 C ATOM 1142 O ASN A 67 15.761 -10.103 -0.609 1.00 0.00 O ATOM 1143 CB ASN A 67 13.640 -11.099 -3.108 1.00 0.00 C ATOM 1144 CG ASN A 67 13.772 -12.317 -4.023 1.00 0.00 C ATOM 1145 OD1 ASN A 67 14.846 -12.868 -4.171 1.00 0.00 O ATOM 1146 ND2 ASN A 67 12.718 -12.767 -4.647 1.00 0.00 N ATOM 0 H ASN A 67 13.147 -9.865 -0.686 1.00 0.00 H new ATOM 0 HA ASN A 67 14.129 -12.549 -1.595 1.00 0.00 H new ATOM 0 HB2 ASN A 67 12.603 -10.765 -3.077 1.00 0.00 H new ATOM 0 HB3 ASN A 67 14.230 -10.271 -3.500 1.00 0.00 H new ATOM 0 HD21 ASN A 67 12.795 -13.580 -5.258 1.00 0.00 H new ATOM 0 HD22 ASN A 67 11.817 -12.306 -4.524 1.00 0.00 H new ATOM 1153 N VAL A 68 16.473 -11.364 -2.260 1.00 0.00 N ATOM 1154 CA VAL A 68 17.869 -10.879 -2.100 1.00 0.00 C ATOM 1155 C VAL A 68 17.928 -9.374 -2.374 1.00 0.00 C ATOM 1156 O VAL A 68 18.569 -8.628 -1.660 1.00 0.00 O ATOM 1157 CB VAL A 68 18.779 -11.610 -3.088 1.00 0.00 C ATOM 1158 CG1 VAL A 68 20.168 -10.971 -3.073 1.00 0.00 C ATOM 1159 CG2 VAL A 68 18.890 -13.082 -2.683 1.00 0.00 C ATOM 0 H VAL A 68 16.335 -12.048 -3.004 1.00 0.00 H new ATOM 0 HA VAL A 68 18.203 -11.074 -1.081 1.00 0.00 H new ATOM 0 HB VAL A 68 18.358 -11.538 -4.091 1.00 0.00 H new ATOM 0 HG11 VAL A 68 20.816 -11.493 -3.777 1.00 0.00 H new ATOM 0 HG12 VAL A 68 20.089 -9.922 -3.360 1.00 0.00 H new ATOM 0 HG13 VAL A 68 20.590 -11.042 -2.071 1.00 0.00 H new ATOM 0 HG21 VAL A 68 19.538 -13.605 -3.386 1.00 0.00 H new ATOM 0 HG22 VAL A 68 19.311 -13.153 -1.680 1.00 0.00 H new ATOM 0 HG23 VAL A 68 17.900 -13.538 -2.694 1.00 0.00 H new ATOM 1169 N LYS A 69 17.272 -8.923 -3.408 1.00 0.00 N ATOM 1170 CA LYS A 69 17.299 -7.472 -3.732 1.00 0.00 C ATOM 1171 C LYS A 69 16.322 -6.715 -2.828 1.00 0.00 C ATOM 1172 O LYS A 69 16.220 -5.506 -2.889 1.00 0.00 O ATOM 1173 CB LYS A 69 16.906 -7.267 -5.198 1.00 0.00 C ATOM 1174 CG LYS A 69 15.569 -7.955 -5.473 1.00 0.00 C ATOM 1175 CD LYS A 69 14.756 -7.109 -6.455 1.00 0.00 C ATOM 1176 CE LYS A 69 14.361 -5.790 -5.787 1.00 0.00 C ATOM 1177 NZ LYS A 69 15.314 -4.720 -6.196 1.00 0.00 N ATOM 0 H LYS A 69 16.718 -9.499 -4.042 1.00 0.00 H new ATOM 0 HA LYS A 69 18.306 -7.089 -3.568 1.00 0.00 H new ATOM 0 HB2 LYS A 69 16.831 -6.202 -5.419 1.00 0.00 H new ATOM 0 HB3 LYS A 69 17.677 -7.674 -5.852 1.00 0.00 H new ATOM 0 HG2 LYS A 69 15.737 -8.950 -5.885 1.00 0.00 H new ATOM 0 HG3 LYS A 69 15.016 -8.085 -4.543 1.00 0.00 H new ATOM 0 HD2 LYS A 69 15.341 -6.913 -7.354 1.00 0.00 H new ATOM 0 HD3 LYS A 69 13.864 -7.652 -6.768 1.00 0.00 H new ATOM 0 HE2 LYS A 69 13.345 -5.516 -6.072 1.00 0.00 H new ATOM 0 HE3 LYS A 69 14.368 -5.903 -4.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 15.835 -4.382 -5.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 15.985 -5.101 -6.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 14.787 -3.929 -6.619 1.00 0.00 H new ATOM 1191 N GLY A 70 15.605 -7.411 -1.987 1.00 0.00 N ATOM 1192 CA GLY A 70 14.645 -6.723 -1.087 1.00 0.00 C ATOM 1193 C GLY A 70 13.288 -7.430 -1.133 1.00 0.00 C ATOM 1194 O GLY A 70 13.034 -8.253 -1.990 1.00 0.00 O ATOM 0 H GLY A 70 15.645 -8.425 -1.887 1.00 0.00 H new ATOM 0 HA2 GLY A 70 15.028 -6.719 -0.067 1.00 0.00 H new ATOM 0 HA3 GLY A 70 14.533 -5.682 -1.389 1.00 0.00 H new ATOM 1198 N ALA A 71 12.415 -7.114 -0.213 1.00 0.00 N ATOM 1199 CA ALA A 71 11.079 -7.765 -0.196 1.00 0.00 C ATOM 1200 C ALA A 71 10.089 -6.932 -1.011 1.00 0.00 C ATOM 1201 O ALA A 71 10.358 -5.802 -1.365 1.00 0.00 O ATOM 1202 CB ALA A 71 10.582 -7.876 1.248 1.00 0.00 C ATOM 0 H ALA A 71 12.573 -6.431 0.528 1.00 0.00 H new ATOM 0 HA ALA A 71 11.159 -8.761 -0.632 1.00 0.00 H new ATOM 0 HB1 ALA A 71 9.602 -8.353 1.260 1.00 0.00 H new ATOM 0 HB2 ALA A 71 11.284 -8.474 1.829 1.00 0.00 H new ATOM 0 HB3 ALA A 71 10.506 -6.880 1.684 1.00 0.00 H new ATOM 1208 N VAL A 72 8.943 -7.481 -1.313 1.00 0.00 N ATOM 1209 CA VAL A 72 7.939 -6.713 -2.106 1.00 0.00 C ATOM 1210 C VAL A 72 6.606 -6.667 -1.356 1.00 0.00 C ATOM 1211 O VAL A 72 6.326 -7.496 -0.514 1.00 0.00 O ATOM 1212 CB VAL A 72 7.734 -7.390 -3.461 1.00 0.00 C ATOM 1213 CG1 VAL A 72 9.041 -7.348 -4.253 1.00 0.00 C ATOM 1214 CG2 VAL A 72 7.316 -8.846 -3.245 1.00 0.00 C ATOM 0 H VAL A 72 8.659 -8.424 -1.046 1.00 0.00 H new ATOM 0 HA VAL A 72 8.303 -5.696 -2.254 1.00 0.00 H new ATOM 0 HB VAL A 72 6.955 -6.866 -4.015 1.00 0.00 H new ATOM 0 HG11 VAL A 72 8.896 -7.830 -5.220 1.00 0.00 H new ATOM 0 HG12 VAL A 72 9.340 -6.311 -4.406 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.819 -7.872 -3.699 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.170 -9.330 -4.211 1.00 0.00 H new ATOM 0 HG22 VAL A 72 8.095 -9.370 -2.691 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.385 -8.877 -2.679 1.00 0.00 H new ATOM 1224 N TRP A 73 5.779 -5.706 -1.664 1.00 0.00 N ATOM 1225 CA TRP A 73 4.460 -5.604 -0.983 1.00 0.00 C ATOM 1226 C TRP A 73 3.364 -6.066 -1.938 1.00 0.00 C ATOM 1227 O TRP A 73 3.166 -5.492 -2.987 1.00 0.00 O ATOM 1228 CB TRP A 73 4.191 -4.158 -0.549 1.00 0.00 C ATOM 1229 CG TRP A 73 4.746 -3.943 0.820 1.00 0.00 C ATOM 1230 CD1 TRP A 73 5.639 -2.984 1.159 1.00 0.00 C ATOM 1231 CD2 TRP A 73 4.464 -4.688 2.039 1.00 0.00 C ATOM 1232 NE1 TRP A 73 5.920 -3.094 2.509 1.00 0.00 N ATOM 1233 CE2 TRP A 73 5.221 -4.130 3.096 1.00 0.00 C ATOM 1234 CE3 TRP A 73 3.632 -5.785 2.326 1.00 0.00 C ATOM 1235 CZ2 TRP A 73 5.154 -4.641 4.392 1.00 0.00 C ATOM 1236 CZ3 TRP A 73 3.562 -6.301 3.630 1.00 0.00 C ATOM 1237 CH2 TRP A 73 4.322 -5.731 4.660 1.00 0.00 C ATOM 0 H TRP A 73 5.962 -4.984 -2.361 1.00 0.00 H new ATOM 0 HA TRP A 73 4.468 -6.237 -0.096 1.00 0.00 H new ATOM 0 HB2 TRP A 73 4.649 -3.464 -1.253 1.00 0.00 H new ATOM 0 HB3 TRP A 73 3.120 -3.957 -0.555 1.00 0.00 H new ATOM 0 HD1 TRP A 73 6.063 -2.253 0.486 1.00 0.00 H new ATOM 0 HE1 TRP A 73 6.565 -2.484 3.010 1.00 0.00 H new ATOM 0 HE3 TRP A 73 3.044 -6.233 1.539 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 5.741 -4.197 5.183 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 2.918 -7.142 3.840 1.00 0.00 H new ATOM 0 HH2 TRP A 73 4.265 -6.134 5.660 1.00 0.00 H new ATOM 1248 N THR A 74 2.655 -7.107 -1.603 1.00 0.00 N ATOM 1249 CA THR A 74 1.607 -7.587 -2.524 1.00 0.00 C ATOM 1250 C THR A 74 0.292 -7.821 -1.781 1.00 0.00 C ATOM 1251 O THR A 74 0.228 -7.773 -0.569 1.00 0.00 O ATOM 1252 CB THR A 74 2.083 -8.886 -3.167 1.00 0.00 C ATOM 1253 OG1 THR A 74 0.997 -9.519 -3.827 1.00 0.00 O ATOM 1254 CG2 THR A 74 2.637 -9.815 -2.087 1.00 0.00 C ATOM 0 H THR A 74 2.759 -7.637 -0.738 1.00 0.00 H new ATOM 0 HA THR A 74 1.427 -6.832 -3.289 1.00 0.00 H new ATOM 0 HB THR A 74 2.865 -8.665 -3.893 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.561 -8.879 -4.427 1.00 0.00 H new ATOM 0 HG21 THR A 74 2.977 -10.744 -2.545 1.00 0.00 H new ATOM 0 HG22 THR A 74 3.474 -9.330 -1.584 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.855 -10.035 -1.360 1.00 0.00 H new ATOM 1262 N VAL A 75 -0.760 -8.068 -2.513 1.00 0.00 N ATOM 1263 CA VAL A 75 -2.084 -8.299 -1.875 1.00 0.00 C ATOM 1264 C VAL A 75 -2.642 -9.648 -2.328 1.00 0.00 C ATOM 1265 O VAL A 75 -2.378 -10.106 -3.423 1.00 0.00 O ATOM 1266 CB VAL A 75 -3.043 -7.186 -2.296 1.00 0.00 C ATOM 1267 CG1 VAL A 75 -4.473 -7.563 -1.902 1.00 0.00 C ATOM 1268 CG2 VAL A 75 -2.646 -5.885 -1.597 1.00 0.00 C ATOM 0 H VAL A 75 -0.757 -8.120 -3.532 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.973 -8.300 -0.791 1.00 0.00 H new ATOM 0 HB VAL A 75 -2.991 -7.051 -3.376 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.155 -6.768 -2.203 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.755 -8.491 -2.400 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.529 -7.699 -0.822 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -3.328 -5.089 -1.895 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -2.698 -6.022 -0.517 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -1.628 -5.616 -1.880 1.00 0.00 H new ATOM 1278 N ASP A 76 -3.418 -10.284 -1.497 1.00 0.00 N ATOM 1279 CA ASP A 76 -4.005 -11.600 -1.875 1.00 0.00 C ATOM 1280 C ASP A 76 -5.471 -11.398 -2.267 1.00 0.00 C ATOM 1281 O ASP A 76 -6.274 -10.936 -1.480 1.00 0.00 O ATOM 1282 CB ASP A 76 -3.914 -12.559 -0.684 1.00 0.00 C ATOM 1283 CG ASP A 76 -4.206 -13.986 -1.149 1.00 0.00 C ATOM 1284 OD1 ASP A 76 -3.548 -14.433 -2.074 1.00 0.00 O ATOM 1285 OD2 ASP A 76 -5.081 -14.609 -0.570 1.00 0.00 O ATOM 0 H ASP A 76 -3.672 -9.948 -0.568 1.00 0.00 H new ATOM 0 HA ASP A 76 -3.457 -12.023 -2.717 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -2.921 -12.507 -0.238 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -4.625 -12.265 0.088 1.00 0.00 H new ATOM 1290 N GLU A 77 -5.825 -11.729 -3.478 1.00 0.00 N ATOM 1291 CA GLU A 77 -7.237 -11.541 -3.919 1.00 0.00 C ATOM 1292 C GLU A 77 -8.167 -12.417 -3.080 1.00 0.00 C ATOM 1293 O GLU A 77 -9.254 -12.011 -2.717 1.00 0.00 O ATOM 1294 CB GLU A 77 -7.366 -11.927 -5.395 1.00 0.00 C ATOM 1295 CG GLU A 77 -7.196 -10.680 -6.265 1.00 0.00 C ATOM 1296 CD GLU A 77 -8.482 -10.429 -7.055 1.00 0.00 C ATOM 1297 OE1 GLU A 77 -8.632 -11.024 -8.109 1.00 0.00 O ATOM 1298 OE2 GLU A 77 -9.295 -9.645 -6.592 1.00 0.00 O ATOM 0 H GLU A 77 -5.199 -12.121 -4.181 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.516 -10.496 -3.788 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.612 -12.670 -5.655 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.339 -12.382 -5.579 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -6.966 -9.817 -5.641 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -6.357 -10.812 -6.948 1.00 0.00 H new ATOM 1305 N VAL A 78 -7.754 -13.613 -2.763 1.00 0.00 N ATOM 1306 CA VAL A 78 -8.623 -14.500 -1.945 1.00 0.00 C ATOM 1307 C VAL A 78 -8.894 -13.820 -0.605 1.00 0.00 C ATOM 1308 O VAL A 78 -10.027 -13.607 -0.219 1.00 0.00 O ATOM 1309 CB VAL A 78 -7.914 -15.833 -1.707 1.00 0.00 C ATOM 1310 CG1 VAL A 78 -8.656 -16.620 -0.626 1.00 0.00 C ATOM 1311 CG2 VAL A 78 -7.902 -16.639 -3.006 1.00 0.00 C ATOM 0 H VAL A 78 -6.855 -14.012 -3.035 1.00 0.00 H new ATOM 0 HA VAL A 78 -9.563 -14.683 -2.466 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.890 -15.648 -1.382 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -8.150 -17.571 -0.456 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -8.667 -16.045 0.300 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -9.680 -16.806 -0.950 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -7.397 -17.590 -2.839 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -8.927 -16.824 -3.329 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.374 -16.078 -3.777 1.00 0.00 H new ATOM 1321 N GLU A 79 -7.857 -13.474 0.102 1.00 0.00 N ATOM 1322 CA GLU A 79 -8.037 -12.801 1.414 1.00 0.00 C ATOM 1323 C GLU A 79 -8.710 -11.447 1.195 1.00 0.00 C ATOM 1324 O GLU A 79 -9.693 -11.118 1.829 1.00 0.00 O ATOM 1325 CB GLU A 79 -6.671 -12.588 2.068 1.00 0.00 C ATOM 1326 CG GLU A 79 -6.641 -13.279 3.430 1.00 0.00 C ATOM 1327 CD GLU A 79 -7.693 -12.650 4.346 1.00 0.00 C ATOM 1328 OE1 GLU A 79 -8.102 -11.535 4.066 1.00 0.00 O ATOM 1329 OE2 GLU A 79 -8.070 -13.293 5.311 1.00 0.00 O ATOM 0 H GLU A 79 -6.888 -13.630 -0.175 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.658 -13.420 2.062 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -5.884 -12.988 1.429 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -6.475 -11.522 2.185 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -6.836 -14.345 3.313 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -5.651 -13.183 3.876 1.00 0.00 H new ATOM 1336 N PHE A 80 -8.184 -10.657 0.298 1.00 0.00 N ATOM 1337 CA PHE A 80 -8.788 -9.322 0.035 1.00 0.00 C ATOM 1338 C PHE A 80 -10.244 -9.496 -0.399 1.00 0.00 C ATOM 1339 O PHE A 80 -11.095 -8.689 -0.086 1.00 0.00 O ATOM 1340 CB PHE A 80 -8.007 -8.618 -1.077 1.00 0.00 C ATOM 1341 CG PHE A 80 -8.451 -7.179 -1.166 1.00 0.00 C ATOM 1342 CD1 PHE A 80 -9.740 -6.871 -1.615 1.00 0.00 C ATOM 1343 CD2 PHE A 80 -7.575 -6.152 -0.797 1.00 0.00 C ATOM 1344 CE1 PHE A 80 -10.155 -5.536 -1.696 1.00 0.00 C ATOM 1345 CE2 PHE A 80 -7.989 -4.817 -0.878 1.00 0.00 C ATOM 1346 CZ PHE A 80 -9.279 -4.509 -1.328 1.00 0.00 C ATOM 0 H PHE A 80 -7.362 -10.880 -0.263 1.00 0.00 H new ATOM 0 HA PHE A 80 -8.749 -8.722 0.944 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -6.937 -8.668 -0.873 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -8.174 -9.121 -2.029 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -10.416 -7.664 -1.899 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -6.580 -6.389 -0.450 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -11.150 -5.299 -2.042 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -7.313 -4.024 -0.593 1.00 0.00 H new ATOM 0 HZ PHE A 80 -9.598 -3.479 -1.391 1.00 0.00 H new ATOM 1356 N GLN A 81 -10.537 -10.543 -1.120 1.00 0.00 N ATOM 1357 CA GLN A 81 -11.937 -10.769 -1.579 1.00 0.00 C ATOM 1358 C GLN A 81 -12.658 -11.695 -0.598 1.00 0.00 C ATOM 1359 O GLN A 81 -13.764 -12.134 -0.845 1.00 0.00 O ATOM 1360 CB GLN A 81 -11.919 -11.415 -2.964 1.00 0.00 C ATOM 1361 CG GLN A 81 -13.215 -11.081 -3.703 1.00 0.00 C ATOM 1362 CD GLN A 81 -12.984 -11.188 -5.211 1.00 0.00 C ATOM 1363 OE1 GLN A 81 -13.468 -12.102 -5.849 1.00 0.00 O ATOM 1364 NE2 GLN A 81 -12.257 -10.287 -5.811 1.00 0.00 N ATOM 0 H GLN A 81 -9.866 -11.253 -1.412 1.00 0.00 H new ATOM 0 HA GLN A 81 -12.460 -9.814 -1.626 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -11.061 -11.056 -3.533 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -11.810 -12.496 -2.871 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -14.007 -11.764 -3.396 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -13.544 -10.074 -3.445 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -11.851 -9.520 -5.275 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -12.095 -10.349 -6.816 1.00 0.00 H new ATOM 1373 N LYS A 82 -12.043 -12.003 0.510 1.00 0.00 N ATOM 1374 CA LYS A 82 -12.693 -12.904 1.497 1.00 0.00 C ATOM 1375 C LYS A 82 -13.738 -12.126 2.303 1.00 0.00 C ATOM 1376 O LYS A 82 -14.903 -12.471 2.320 1.00 0.00 O ATOM 1377 CB LYS A 82 -11.636 -13.473 2.445 1.00 0.00 C ATOM 1378 CG LYS A 82 -11.470 -14.972 2.183 1.00 0.00 C ATOM 1379 CD LYS A 82 -10.978 -15.663 3.456 1.00 0.00 C ATOM 1380 CE LYS A 82 -11.660 -17.027 3.591 1.00 0.00 C ATOM 1381 NZ LYS A 82 -11.440 -17.560 4.965 1.00 0.00 N ATOM 0 H LYS A 82 -11.116 -11.668 0.773 1.00 0.00 H new ATOM 0 HA LYS A 82 -13.184 -13.720 0.967 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -10.686 -12.960 2.298 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -11.932 -13.304 3.480 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -12.420 -15.404 1.866 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -10.760 -15.133 1.372 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -9.896 -15.787 3.420 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -11.199 -15.046 4.327 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -12.728 -16.933 3.393 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -11.259 -17.721 2.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -11.903 -18.487 5.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -10.420 -17.665 5.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -11.843 -16.901 5.662 1.00 0.00 H new ATOM 1395 N ARG A 83 -13.331 -11.085 2.978 1.00 0.00 N ATOM 1396 CA ARG A 83 -14.297 -10.296 3.786 1.00 0.00 C ATOM 1397 C ARG A 83 -14.690 -9.019 3.037 1.00 0.00 C ATOM 1398 O ARG A 83 -15.370 -8.163 3.566 1.00 0.00 O ATOM 1399 CB ARG A 83 -13.651 -9.924 5.123 1.00 0.00 C ATOM 1400 CG ARG A 83 -14.715 -9.366 6.071 1.00 0.00 C ATOM 1401 CD ARG A 83 -15.105 -10.440 7.087 1.00 0.00 C ATOM 1402 NE ARG A 83 -14.527 -10.099 8.417 1.00 0.00 N ATOM 1403 CZ ARG A 83 -15.287 -9.588 9.347 1.00 0.00 C ATOM 1404 NH1 ARG A 83 -16.171 -8.679 9.039 1.00 0.00 N ATOM 1405 NH2 ARG A 83 -15.161 -9.982 10.584 1.00 0.00 N ATOM 0 H ARG A 83 -12.368 -10.748 3.003 1.00 0.00 H new ATOM 0 HA ARG A 83 -15.191 -10.894 3.961 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -13.179 -10.801 5.566 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -12.866 -9.184 4.966 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -14.333 -8.485 6.586 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -15.591 -9.050 5.506 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -16.190 -10.512 7.158 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -14.742 -11.414 6.760 1.00 0.00 H new ATOM 0 HE ARG A 83 -13.538 -10.265 8.601 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -16.268 -8.368 8.072 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -16.765 -8.279 9.765 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -14.468 -10.690 10.826 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -15.756 -9.582 11.310 1.00 0.00 H new