USER MOD reduce.3.24.130724 H: found=0, std=0, add=642, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 644 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 21 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 24 SER OG : rot 180:sc= -1.09 USER MOD Single : A 13 SER OG : rot 180:sc= 0.0112 USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.191 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -4.96! K(o=-5!,f=-3) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl -144:sc= -1.43 (180deg=-2.97!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HE2:sc= -2.63 K(o=-2.6,f=-5.1!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0.00383 USER MOD Single : A 81 THR OG1 : rot 50:sc= 1.03 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= -0.703 K(o=-0.7,f=-0.01) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 34:sc= 0.429 USER MOD Single : A 100 GLN : amide:sc= -1.5 K(o=-1.5,f=-9.2!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.00225 USER MOD Single : A 105 THR OG1 : rot 163:sc= 1.3 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 115 N ARG A 11 -0.897 -11.341 7.375 1.00 0.00 N ATOM 116 CA ARG A 11 -1.444 -10.178 8.064 1.00 0.00 C ATOM 117 C ARG A 11 -0.666 -8.916 7.703 1.00 0.00 C ATOM 118 O ARG A 11 0.314 -8.970 6.958 1.00 0.00 O ATOM 119 CB ARG A 11 -1.412 -10.394 9.578 1.00 0.00 C ATOM 120 CG ARG A 11 -1.579 -11.847 9.990 1.00 0.00 C ATOM 121 CD ARG A 11 -0.277 -12.620 9.848 1.00 0.00 C ATOM 122 NE ARG A 11 -0.260 -13.822 10.678 1.00 0.00 N ATOM 123 CZ ARG A 11 0.807 -14.598 10.827 1.00 0.00 C ATOM 124 NH1 ARG A 11 1.940 -14.299 10.205 1.00 0.00 N ATOM 125 NH2 ARG A 11 0.744 -15.675 11.599 1.00 0.00 N ATOM 0 HA ARG A 11 -2.478 -10.051 7.744 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -0.466 -10.021 9.970 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.203 -9.802 10.038 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -1.922 -11.896 11.024 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -2.349 -12.314 9.376 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -0.133 -12.898 8.804 1.00 0.00 H new ATOM 0 HD3 ARG A 11 0.558 -11.977 10.125 1.00 0.00 H new ATOM 0 HE ARG A 11 -1.115 -14.079 11.170 1.00 0.00 H new ATOM 0 HH11 ARG A 11 1.993 -13.472 9.611 1.00 0.00 H new ATOM 0 HH12 ARG A 11 2.758 -14.897 10.321 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -0.125 -15.908 12.079 1.00 0.00 H new ATOM 0 HH22 ARG A 11 1.565 -16.270 11.712 1.00 0.00 H new ATOM 139 N LEU A 12 -1.109 -7.782 8.234 1.00 0.00 N ATOM 140 CA LEU A 12 -0.455 -6.506 7.967 1.00 0.00 C ATOM 141 C LEU A 12 0.353 -6.045 9.176 1.00 0.00 C ATOM 142 O LEU A 12 0.173 -6.549 10.284 1.00 0.00 O ATOM 143 CB LEU A 12 -1.493 -5.445 7.598 1.00 0.00 C ATOM 144 CG LEU A 12 -2.029 -5.499 6.167 1.00 0.00 C ATOM 145 CD1 LEU A 12 -3.409 -4.864 6.089 1.00 0.00 C ATOM 146 CD2 LEU A 12 -1.067 -4.808 5.211 1.00 0.00 C ATOM 0 H LEU A 12 -1.918 -7.720 8.852 1.00 0.00 H new ATOM 0 HA LEU A 12 0.227 -6.644 7.128 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.335 -5.536 8.284 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.052 -4.462 7.763 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.116 -6.545 5.871 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.774 -4.912 5.063 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.095 -5.402 6.744 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.349 -3.822 6.404 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.464 -4.856 4.197 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.948 -3.765 5.505 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.099 -5.307 5.245 1.00 0.00 H new ATOM 158 N SER A 13 1.241 -5.081 8.955 1.00 0.00 N ATOM 159 CA SER A 13 2.077 -4.552 10.026 1.00 0.00 C ATOM 160 C SER A 13 1.542 -3.213 10.523 1.00 0.00 C ATOM 161 O SER A 13 0.492 -2.750 10.079 1.00 0.00 O ATOM 162 CB SER A 13 3.520 -4.390 9.543 1.00 0.00 C ATOM 163 OG SER A 13 4.434 -4.501 10.620 1.00 0.00 O ATOM 0 H SER A 13 1.400 -4.651 8.044 1.00 0.00 H new ATOM 0 HA SER A 13 2.056 -5.261 10.853 1.00 0.00 H new ATOM 0 HB2 SER A 13 3.743 -5.149 8.793 1.00 0.00 H new ATOM 0 HB3 SER A 13 3.638 -3.420 9.060 1.00 0.00 H new ATOM 0 HG SER A 13 5.349 -4.396 10.285 1.00 0.00 H new ATOM 169 N GLN A 14 2.272 -2.596 11.447 1.00 0.00 N ATOM 170 CA GLN A 14 1.870 -1.310 12.005 1.00 0.00 C ATOM 171 C GLN A 14 1.719 -0.264 10.906 1.00 0.00 C ATOM 172 O GLN A 14 2.704 0.169 10.306 1.00 0.00 O ATOM 173 CB GLN A 14 2.893 -0.837 13.039 1.00 0.00 C ATOM 174 CG GLN A 14 4.306 -0.725 12.490 1.00 0.00 C ATOM 175 CD GLN A 14 5.340 -0.510 13.578 1.00 0.00 C ATOM 176 OE1 GLN A 14 5.001 -0.184 14.716 1.00 0.00 O ATOM 177 NE2 GLN A 14 6.609 -0.691 13.233 1.00 0.00 N ATOM 0 H GLN A 14 3.144 -2.966 11.825 1.00 0.00 H new ATOM 0 HA GLN A 14 0.904 -1.440 12.493 1.00 0.00 H new ATOM 0 HB2 GLN A 14 2.584 0.134 13.425 1.00 0.00 H new ATOM 0 HB3 GLN A 14 2.893 -1.529 13.881 1.00 0.00 H new ATOM 0 HG2 GLN A 14 4.550 -1.632 11.937 1.00 0.00 H new ATOM 0 HG3 GLN A 14 4.352 0.102 11.782 1.00 0.00 H new ATOM 0 HE21 GLN A 14 6.844 -0.961 12.278 1.00 0.00 H new ATOM 0 HE22 GLN A 14 7.349 -0.560 13.923 1.00 0.00 H new ATOM 186 N LEU A 15 0.480 0.139 10.646 1.00 0.00 N ATOM 187 CA LEU A 15 0.199 1.136 9.618 1.00 0.00 C ATOM 188 C LEU A 15 0.215 2.543 10.206 1.00 0.00 C ATOM 189 O LEU A 15 -0.730 2.957 10.878 1.00 0.00 O ATOM 190 CB LEU A 15 -1.157 0.858 8.967 1.00 0.00 C ATOM 191 CG LEU A 15 -1.695 1.952 8.045 1.00 0.00 C ATOM 192 CD1 LEU A 15 -1.004 1.896 6.691 1.00 0.00 C ATOM 193 CD2 LEU A 15 -3.202 1.818 7.882 1.00 0.00 C ATOM 0 H LEU A 15 -0.346 -0.209 11.133 1.00 0.00 H new ATOM 0 HA LEU A 15 0.979 1.070 8.860 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.080 -0.066 8.395 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.888 0.684 9.757 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.483 2.920 8.499 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.400 2.682 6.048 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.068 2.041 6.823 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.185 0.925 6.230 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.568 2.605 7.223 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.436 0.845 7.451 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.683 1.908 8.856 1.00 0.00 H new ATOM 205 N SER A 16 1.294 3.275 9.946 1.00 0.00 N ATOM 206 CA SER A 16 1.434 4.636 10.451 1.00 0.00 C ATOM 207 C SER A 16 1.380 5.647 9.309 1.00 0.00 C ATOM 208 O SER A 16 1.533 5.290 8.141 1.00 0.00 O ATOM 209 CB SER A 16 2.749 4.786 11.217 1.00 0.00 C ATOM 210 OG SER A 16 2.893 3.764 12.189 1.00 0.00 O ATOM 0 H SER A 16 2.084 2.948 9.389 1.00 0.00 H new ATOM 0 HA SER A 16 0.603 4.833 11.128 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.586 4.749 10.520 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.781 5.761 11.703 1.00 0.00 H new ATOM 0 HG SER A 16 3.742 3.881 12.664 1.00 0.00 H new ATOM 216 N VAL A 17 1.160 6.911 9.657 1.00 0.00 N ATOM 217 CA VAL A 17 1.086 7.975 8.663 1.00 0.00 C ATOM 218 C VAL A 17 2.275 8.922 8.782 1.00 0.00 C ATOM 219 O VAL A 17 2.585 9.414 9.867 1.00 0.00 O ATOM 220 CB VAL A 17 -0.217 8.784 8.803 1.00 0.00 C ATOM 221 CG1 VAL A 17 -0.198 9.991 7.876 1.00 0.00 C ATOM 222 CG2 VAL A 17 -1.424 7.903 8.520 1.00 0.00 C ATOM 0 H VAL A 17 1.030 7.223 10.619 1.00 0.00 H new ATOM 0 HA VAL A 17 1.104 7.496 7.684 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.292 9.145 9.829 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.127 10.551 7.988 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.646 10.632 8.131 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.099 9.655 6.844 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.336 8.491 8.624 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.358 7.511 7.505 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.444 7.075 9.228 1.00 0.00 H new ATOM 232 N THR A 18 2.939 9.175 7.658 1.00 0.00 N ATOM 233 CA THR A 18 4.094 10.062 7.636 1.00 0.00 C ATOM 234 C THR A 18 3.856 11.252 6.714 1.00 0.00 C ATOM 235 O THR A 18 2.952 11.231 5.877 1.00 0.00 O ATOM 236 CB THR A 18 5.364 9.320 7.178 1.00 0.00 C ATOM 237 OG1 THR A 18 5.474 9.370 5.751 1.00 0.00 O ATOM 238 CG2 THR A 18 5.340 7.871 7.640 1.00 0.00 C ATOM 0 H THR A 18 2.696 8.777 6.751 1.00 0.00 H new ATOM 0 HA THR A 18 4.237 10.418 8.656 1.00 0.00 H new ATOM 0 HB THR A 18 6.227 9.813 7.625 1.00 0.00 H new ATOM 0 HG1 THR A 18 6.285 8.897 5.469 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.247 7.367 7.305 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.287 7.837 8.728 1.00 0.00 H new ATOM 0 HG23 THR A 18 4.469 7.369 7.218 1.00 0.00 H new ATOM 246 N ASP A 19 4.671 12.289 6.871 1.00 0.00 N ATOM 247 CA ASP A 19 4.550 13.489 6.051 1.00 0.00 C ATOM 248 C ASP A 19 3.144 14.073 6.147 1.00 0.00 C ATOM 249 O ASP A 19 2.593 14.560 5.159 1.00 0.00 O ATOM 250 CB ASP A 19 4.885 13.172 4.592 1.00 0.00 C ATOM 251 CG ASP A 19 6.362 13.328 4.291 1.00 0.00 C ATOM 252 OD1 ASP A 19 6.911 14.416 4.562 1.00 0.00 O ATOM 253 OD2 ASP A 19 6.969 12.362 3.782 1.00 0.00 O ATOM 0 H ASP A 19 5.423 12.323 7.559 1.00 0.00 H new ATOM 0 HA ASP A 19 5.258 14.228 6.426 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.577 12.152 4.365 1.00 0.00 H new ATOM 0 HB3 ASP A 19 4.312 13.831 3.939 1.00 0.00 H new ATOM 258 N VAL A 20 2.567 14.020 7.343 1.00 0.00 N ATOM 259 CA VAL A 20 1.225 14.543 7.569 1.00 0.00 C ATOM 260 C VAL A 20 1.081 15.951 7.001 1.00 0.00 C ATOM 261 O VAL A 20 1.560 16.922 7.588 1.00 0.00 O ATOM 262 CB VAL A 20 0.878 14.569 9.070 1.00 0.00 C ATOM 263 CG1 VAL A 20 -0.610 14.818 9.269 1.00 0.00 C ATOM 264 CG2 VAL A 20 1.303 13.270 9.737 1.00 0.00 C ATOM 0 H VAL A 20 3.008 13.620 8.171 1.00 0.00 H new ATOM 0 HA VAL A 20 0.534 13.874 7.055 1.00 0.00 H new ATOM 0 HB VAL A 20 1.425 15.387 9.538 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.837 14.833 10.335 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.881 15.777 8.827 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.179 14.023 8.788 1.00 0.00 H new ATOM 0 HG21 VAL A 20 1.050 13.306 10.797 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.784 12.434 9.268 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.379 13.138 9.625 1.00 0.00 H new ATOM 274 N THR A 21 0.418 16.056 5.854 1.00 0.00 N ATOM 275 CA THR A 21 0.211 17.344 5.205 1.00 0.00 C ATOM 276 C THR A 21 -1.027 18.044 5.755 1.00 0.00 C ATOM 277 O THR A 21 -1.881 17.417 6.382 1.00 0.00 O ATOM 278 CB THR A 21 0.064 17.188 3.680 1.00 0.00 C ATOM 279 OG1 THR A 21 0.896 16.119 3.215 1.00 0.00 O ATOM 280 CG2 THR A 21 0.440 18.477 2.965 1.00 0.00 C ATOM 0 H THR A 21 0.015 15.263 5.355 1.00 0.00 H new ATOM 0 HA THR A 21 1.092 17.950 5.417 1.00 0.00 H new ATOM 0 HB THR A 21 -0.979 16.960 3.459 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.796 16.025 2.245 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.328 18.342 1.889 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.214 19.283 3.300 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.475 18.731 3.193 1.00 0.00 H new ATOM 288 N THR A 22 -1.119 19.348 5.515 1.00 0.00 N ATOM 289 CA THR A 22 -2.253 20.134 5.986 1.00 0.00 C ATOM 290 C THR A 22 -3.571 19.540 5.504 1.00 0.00 C ATOM 291 O THR A 22 -4.534 19.441 6.266 1.00 0.00 O ATOM 292 CB THR A 22 -2.158 21.596 5.513 1.00 0.00 C ATOM 293 OG1 THR A 22 -2.626 21.706 4.164 1.00 0.00 O ATOM 294 CG2 THR A 22 -0.726 22.103 5.601 1.00 0.00 C ATOM 0 H THR A 22 -0.422 19.883 4.997 1.00 0.00 H new ATOM 0 HA THR A 22 -2.224 20.110 7.075 1.00 0.00 H new ATOM 0 HB THR A 22 -2.783 22.206 6.165 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.564 22.639 3.871 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.685 23.138 5.261 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.383 22.046 6.634 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.083 21.489 4.971 1.00 0.00 H new ATOM 302 N SER A 23 -3.609 19.144 4.236 1.00 0.00 N ATOM 303 CA SER A 23 -4.811 18.562 3.652 1.00 0.00 C ATOM 304 C SER A 23 -4.503 17.217 3.001 1.00 0.00 C ATOM 305 O SER A 23 -5.287 16.708 2.200 1.00 0.00 O ATOM 306 CB SER A 23 -5.414 19.515 2.618 1.00 0.00 C ATOM 307 OG SER A 23 -4.463 19.860 1.626 1.00 0.00 O ATOM 0 H SER A 23 -2.820 19.216 3.593 1.00 0.00 H new ATOM 0 HA SER A 23 -5.533 18.402 4.453 1.00 0.00 H new ATOM 0 HB2 SER A 23 -6.280 19.047 2.149 1.00 0.00 H new ATOM 0 HB3 SER A 23 -5.770 20.418 3.115 1.00 0.00 H new ATOM 0 HG SER A 23 -4.874 20.468 0.977 1.00 0.00 H new ATOM 313 N SER A 24 -3.354 16.647 3.352 1.00 0.00 N ATOM 314 CA SER A 24 -2.939 15.363 2.800 1.00 0.00 C ATOM 315 C SER A 24 -1.970 14.654 3.742 1.00 0.00 C ATOM 316 O SER A 24 -1.612 15.182 4.795 1.00 0.00 O ATOM 317 CB SER A 24 -2.285 15.560 1.431 1.00 0.00 C ATOM 318 OG SER A 24 -1.668 16.832 1.338 1.00 0.00 O ATOM 0 H SER A 24 -2.695 17.054 4.016 1.00 0.00 H new ATOM 0 HA SER A 24 -3.827 14.741 2.685 1.00 0.00 H new ATOM 0 HB2 SER A 24 -1.543 14.779 1.264 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.036 15.459 0.648 1.00 0.00 H new ATOM 0 HG SER A 24 -1.256 16.932 0.454 1.00 0.00 H new ATOM 324 N LEU A 25 -1.548 13.456 3.354 1.00 0.00 N ATOM 325 CA LEU A 25 -0.620 12.673 4.163 1.00 0.00 C ATOM 326 C LEU A 25 -0.189 11.409 3.427 1.00 0.00 C ATOM 327 O LEU A 25 -0.613 11.161 2.298 1.00 0.00 O ATOM 328 CB LEU A 25 -1.265 12.303 5.500 1.00 0.00 C ATOM 329 CG LEU A 25 -2.767 12.022 5.466 1.00 0.00 C ATOM 330 CD1 LEU A 25 -3.039 10.646 4.877 1.00 0.00 C ATOM 331 CD2 LEU A 25 -3.363 12.134 6.862 1.00 0.00 C ATOM 0 H LEU A 25 -1.833 13.005 2.485 1.00 0.00 H new ATOM 0 HA LEU A 25 0.264 13.282 4.349 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.760 11.421 5.892 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.083 13.114 6.205 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.242 12.768 4.829 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.113 10.463 4.861 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.648 10.602 3.861 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.551 9.886 5.487 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.433 11.931 6.818 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.883 11.411 7.522 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.200 13.141 7.247 1.00 0.00 H new ATOM 343 N ARG A 26 0.655 10.612 4.074 1.00 0.00 N ATOM 344 CA ARG A 26 1.143 9.373 3.481 1.00 0.00 C ATOM 345 C ARG A 26 1.068 8.224 4.483 1.00 0.00 C ATOM 346 O ARG A 26 1.061 8.443 5.695 1.00 0.00 O ATOM 347 CB ARG A 26 2.584 9.547 2.996 1.00 0.00 C ATOM 348 CG ARG A 26 3.123 8.342 2.244 1.00 0.00 C ATOM 349 CD ARG A 26 4.392 8.685 1.479 1.00 0.00 C ATOM 350 NE ARG A 26 4.650 7.741 0.395 1.00 0.00 N ATOM 351 CZ ARG A 26 5.706 7.814 -0.407 1.00 0.00 C ATOM 352 NH1 ARG A 26 6.598 8.781 -0.248 1.00 0.00 N ATOM 353 NH2 ARG A 26 5.871 6.917 -1.372 1.00 0.00 N ATOM 0 H ARG A 26 1.015 10.802 5.009 1.00 0.00 H new ATOM 0 HA ARG A 26 0.507 9.132 2.629 1.00 0.00 H new ATOM 0 HB2 ARG A 26 2.637 10.422 2.349 1.00 0.00 H new ATOM 0 HB3 ARG A 26 3.226 9.746 3.854 1.00 0.00 H new ATOM 0 HG2 ARG A 26 3.328 7.535 2.947 1.00 0.00 H new ATOM 0 HG3 ARG A 26 2.366 7.976 1.550 1.00 0.00 H new ATOM 0 HD2 ARG A 26 4.308 9.692 1.070 1.00 0.00 H new ATOM 0 HD3 ARG A 26 5.239 8.689 2.165 1.00 0.00 H new ATOM 0 HE ARG A 26 3.983 6.984 0.246 1.00 0.00 H new ATOM 0 HH11 ARG A 26 6.475 9.472 0.492 1.00 0.00 H new ATOM 0 HH12 ARG A 26 7.408 8.834 -0.866 1.00 0.00 H new ATOM 0 HH21 ARG A 26 5.186 6.171 -1.498 1.00 0.00 H new ATOM 0 HH22 ARG A 26 6.682 6.974 -1.988 1.00 0.00 H new ATOM 367 N LEU A 27 1.012 7.001 3.969 1.00 0.00 N ATOM 368 CA LEU A 27 0.936 5.817 4.818 1.00 0.00 C ATOM 369 C LEU A 27 2.087 4.860 4.521 1.00 0.00 C ATOM 370 O LEU A 27 2.721 4.943 3.470 1.00 0.00 O ATOM 371 CB LEU A 27 -0.401 5.103 4.614 1.00 0.00 C ATOM 372 CG LEU A 27 -1.579 5.640 5.428 1.00 0.00 C ATOM 373 CD1 LEU A 27 -2.890 5.065 4.913 1.00 0.00 C ATOM 374 CD2 LEU A 27 -1.397 5.318 6.904 1.00 0.00 C ATOM 0 H LEU A 27 1.018 6.803 2.968 1.00 0.00 H new ATOM 0 HA LEU A 27 1.013 6.139 5.856 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.661 5.156 3.557 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.268 4.049 4.857 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.611 6.724 5.314 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.717 5.458 5.504 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.025 5.346 3.868 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.869 3.978 4.997 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.244 5.707 7.469 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.339 4.238 7.036 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.478 5.778 7.266 1.00 0.00 H new ATOM 386 N ASN A 28 2.348 3.950 5.454 1.00 0.00 N ATOM 387 CA ASN A 28 3.421 2.976 5.291 1.00 0.00 C ATOM 388 C ASN A 28 3.154 1.728 6.128 1.00 0.00 C ATOM 389 O ASN A 28 3.019 1.805 7.350 1.00 0.00 O ATOM 390 CB ASN A 28 4.763 3.593 5.689 1.00 0.00 C ATOM 391 CG ASN A 28 5.145 4.765 4.806 1.00 0.00 C ATOM 392 OD1 ASN A 28 5.992 4.639 3.921 1.00 0.00 O ATOM 393 ND2 ASN A 28 4.521 5.913 5.043 1.00 0.00 N ATOM 0 H ASN A 28 1.832 3.867 6.330 1.00 0.00 H new ATOM 0 HA ASN A 28 3.459 2.687 4.241 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.714 3.924 6.726 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.541 2.831 5.634 1.00 0.00 H new ATOM 0 HD21 ASN A 28 4.737 6.736 4.481 1.00 0.00 H new ATOM 0 HD22 ASN A 28 3.826 5.971 5.787 1.00 0.00 H new ATOM 400 N TRP A 29 3.081 0.581 5.463 1.00 0.00 N ATOM 401 CA TRP A 29 2.831 -0.683 6.146 1.00 0.00 C ATOM 402 C TRP A 29 3.709 -1.792 5.577 1.00 0.00 C ATOM 403 O TRP A 29 3.975 -1.829 4.376 1.00 0.00 O ATOM 404 CB TRP A 29 1.356 -1.070 6.023 1.00 0.00 C ATOM 405 CG TRP A 29 0.904 -1.245 4.605 1.00 0.00 C ATOM 406 CD1 TRP A 29 0.865 -2.411 3.895 1.00 0.00 C ATOM 407 CD2 TRP A 29 0.428 -0.221 3.725 1.00 0.00 C ATOM 408 NE1 TRP A 29 0.394 -2.174 2.626 1.00 0.00 N ATOM 409 CE2 TRP A 29 0.118 -0.839 2.497 1.00 0.00 C ATOM 410 CE3 TRP A 29 0.231 1.156 3.854 1.00 0.00 C ATOM 411 CZ2 TRP A 29 -0.376 -0.124 1.409 1.00 0.00 C ATOM 412 CZ3 TRP A 29 -0.259 1.864 2.773 1.00 0.00 C ATOM 413 CH2 TRP A 29 -0.559 1.223 1.564 1.00 0.00 C ATOM 0 H TRP A 29 3.191 0.500 4.452 1.00 0.00 H new ATOM 0 HA TRP A 29 3.079 -0.553 7.200 1.00 0.00 H new ATOM 0 HB2 TRP A 29 1.185 -1.998 6.569 1.00 0.00 H new ATOM 0 HB3 TRP A 29 0.746 -0.303 6.499 1.00 0.00 H new ATOM 0 HD1 TRP A 29 1.161 -3.378 4.275 1.00 0.00 H new ATOM 0 HE1 TRP A 29 0.270 -2.878 1.898 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.458 1.659 4.783 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -0.607 -0.616 0.475 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -0.413 2.929 2.862 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.942 1.804 0.738 1.00 0.00 H new ATOM 424 N GLU A 30 4.155 -2.693 6.446 1.00 0.00 N ATOM 425 CA GLU A 30 5.004 -3.803 6.028 1.00 0.00 C ATOM 426 C GLU A 30 4.185 -5.078 5.852 1.00 0.00 C ATOM 427 O GLU A 30 3.326 -5.395 6.673 1.00 0.00 O ATOM 428 CB GLU A 30 6.118 -4.036 7.050 1.00 0.00 C ATOM 429 CG GLU A 30 7.094 -5.128 6.649 1.00 0.00 C ATOM 430 CD GLU A 30 7.977 -5.573 7.798 1.00 0.00 C ATOM 431 OE1 GLU A 30 8.262 -4.741 8.685 1.00 0.00 O ATOM 432 OE2 GLU A 30 8.383 -6.754 7.811 1.00 0.00 O ATOM 0 H GLU A 30 3.943 -2.676 7.444 1.00 0.00 H new ATOM 0 HA GLU A 30 5.451 -3.543 5.068 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.667 -3.105 7.195 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.671 -4.295 8.010 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.538 -5.986 6.270 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.720 -4.768 5.833 1.00 0.00 H new ATOM 439 N ALA A 31 4.458 -5.806 4.773 1.00 0.00 N ATOM 440 CA ALA A 31 3.748 -7.047 4.490 1.00 0.00 C ATOM 441 C ALA A 31 4.692 -8.101 3.922 1.00 0.00 C ATOM 442 O ALA A 31 5.642 -7.795 3.200 1.00 0.00 O ATOM 443 CB ALA A 31 2.600 -6.789 3.525 1.00 0.00 C ATOM 0 H ALA A 31 5.165 -5.557 4.081 1.00 0.00 H new ATOM 0 HA ALA A 31 3.342 -7.427 5.427 1.00 0.00 H new ATOM 0 HB1 ALA A 31 2.078 -7.724 3.322 1.00 0.00 H new ATOM 0 HB2 ALA A 31 1.906 -6.075 3.968 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.993 -6.383 2.593 1.00 0.00 H new ATOM 449 N PRO A 32 4.428 -9.374 4.254 1.00 0.00 N ATOM 450 CA PRO A 32 5.243 -10.499 3.787 1.00 0.00 C ATOM 451 C PRO A 32 5.080 -10.752 2.292 1.00 0.00 C ATOM 452 O PRO A 32 4.187 -10.212 1.640 1.00 0.00 O ATOM 453 CB PRO A 32 4.705 -11.685 4.592 1.00 0.00 C ATOM 454 CG PRO A 32 3.306 -11.305 4.936 1.00 0.00 C ATOM 455 CD PRO A 32 3.313 -9.811 5.110 1.00 0.00 C ATOM 0 HA PRO A 32 6.308 -10.317 3.930 1.00 0.00 H new ATOM 0 HB2 PRO A 32 4.733 -12.605 4.008 1.00 0.00 H new ATOM 0 HB3 PRO A 32 5.300 -11.858 5.489 1.00 0.00 H new ATOM 0 HG2 PRO A 32 2.616 -11.603 4.147 1.00 0.00 H new ATOM 0 HG3 PRO A 32 2.980 -11.803 5.849 1.00 0.00 H new ATOM 0 HD2 PRO A 32 2.368 -9.366 4.798 1.00 0.00 H new ATOM 0 HD3 PRO A 32 3.471 -9.528 6.151 1.00 0.00 H new ATOM 463 N PRO A 33 5.963 -11.594 1.734 1.00 0.00 N ATOM 464 CA PRO A 33 5.937 -11.939 0.310 1.00 0.00 C ATOM 465 C PRO A 33 4.734 -12.803 -0.055 1.00 0.00 C ATOM 466 O PRO A 33 4.326 -13.673 0.713 1.00 0.00 O ATOM 467 CB PRO A 33 7.237 -12.721 0.110 1.00 0.00 C ATOM 468 CG PRO A 33 7.551 -13.284 1.453 1.00 0.00 C ATOM 469 CD PRO A 33 7.055 -12.274 2.451 1.00 0.00 C ATOM 0 HA PRO A 33 5.854 -11.055 -0.322 1.00 0.00 H new ATOM 0 HB2 PRO A 33 7.114 -13.511 -0.631 1.00 0.00 H new ATOM 0 HB3 PRO A 33 8.038 -12.073 -0.245 1.00 0.00 H new ATOM 0 HG2 PRO A 33 7.062 -14.247 1.597 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.622 -13.451 1.566 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.700 -12.752 3.364 1.00 0.00 H new ATOM 0 HD3 PRO A 33 7.841 -11.577 2.741 1.00 0.00 H new ATOM 477 N GLY A 34 4.171 -12.556 -1.234 1.00 0.00 N ATOM 478 CA GLY A 34 3.020 -13.320 -1.680 1.00 0.00 C ATOM 479 C GLY A 34 1.917 -13.367 -0.642 1.00 0.00 C ATOM 480 O GLY A 34 1.181 -14.349 -0.553 1.00 0.00 O ATOM 0 H GLY A 34 4.491 -11.841 -1.888 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.631 -12.882 -2.599 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.333 -14.336 -1.919 1.00 0.00 H new ATOM 484 N ALA A 35 1.803 -12.304 0.147 1.00 0.00 N ATOM 485 CA ALA A 35 0.782 -12.228 1.184 1.00 0.00 C ATOM 486 C ALA A 35 -0.590 -11.942 0.583 1.00 0.00 C ATOM 487 O ALA A 35 -1.496 -12.772 0.657 1.00 0.00 O ATOM 488 CB ALA A 35 1.146 -11.160 2.205 1.00 0.00 C ATOM 0 H ALA A 35 2.406 -11.483 0.088 1.00 0.00 H new ATOM 0 HA ALA A 35 0.736 -13.194 1.686 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.375 -11.114 2.974 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.103 -11.407 2.665 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.222 -10.193 1.708 1.00 0.00 H new ATOM 494 N PHE A 36 -0.737 -10.762 -0.011 1.00 0.00 N ATOM 495 CA PHE A 36 -2.000 -10.367 -0.623 1.00 0.00 C ATOM 496 C PHE A 36 -1.784 -9.887 -2.055 1.00 0.00 C ATOM 497 O PHE A 36 -0.675 -9.507 -2.433 1.00 0.00 O ATOM 498 CB PHE A 36 -2.667 -9.264 0.201 1.00 0.00 C ATOM 499 CG PHE A 36 -2.413 -9.381 1.677 1.00 0.00 C ATOM 500 CD1 PHE A 36 -1.239 -8.896 2.231 1.00 0.00 C ATOM 501 CD2 PHE A 36 -3.347 -9.976 2.510 1.00 0.00 C ATOM 502 CE1 PHE A 36 -1.002 -9.002 3.589 1.00 0.00 C ATOM 503 CE2 PHE A 36 -3.115 -10.084 3.868 1.00 0.00 C ATOM 504 CZ PHE A 36 -1.940 -9.598 4.408 1.00 0.00 C ATOM 0 H PHE A 36 0.003 -10.063 -0.081 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.653 -11.240 -0.646 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.308 -8.295 -0.146 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.742 -9.288 0.022 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.501 -8.430 1.595 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.267 -10.360 2.093 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.084 -8.619 4.009 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.852 -10.548 4.507 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.756 -9.684 5.469 1.00 0.00 H new ATOM 514 N ASP A 37 -2.850 -9.907 -2.847 1.00 0.00 N ATOM 515 CA ASP A 37 -2.778 -9.474 -4.237 1.00 0.00 C ATOM 516 C ASP A 37 -2.728 -7.952 -4.331 1.00 0.00 C ATOM 517 O ASP A 37 -1.917 -7.392 -5.068 1.00 0.00 O ATOM 518 CB ASP A 37 -3.979 -10.006 -5.022 1.00 0.00 C ATOM 519 CG ASP A 37 -3.877 -9.710 -6.506 1.00 0.00 C ATOM 520 OD1 ASP A 37 -2.753 -9.763 -7.046 1.00 0.00 O ATOM 521 OD2 ASP A 37 -4.923 -9.426 -7.126 1.00 0.00 O ATOM 0 H ASP A 37 -3.775 -10.219 -2.550 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.862 -9.877 -4.670 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.058 -11.083 -4.874 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -4.893 -9.562 -4.628 1.00 0.00 H new ATOM 526 N SER A 38 -3.601 -7.289 -3.579 1.00 0.00 N ATOM 527 CA SER A 38 -3.659 -5.832 -3.580 1.00 0.00 C ATOM 528 C SER A 38 -4.042 -5.302 -2.201 1.00 0.00 C ATOM 529 O SER A 38 -4.213 -6.070 -1.254 1.00 0.00 O ATOM 530 CB SER A 38 -4.664 -5.342 -4.624 1.00 0.00 C ATOM 531 OG SER A 38 -5.761 -6.232 -4.734 1.00 0.00 O ATOM 0 H SER A 38 -4.278 -7.738 -2.961 1.00 0.00 H new ATOM 0 HA SER A 38 -2.669 -5.454 -3.833 1.00 0.00 H new ATOM 0 HB2 SER A 38 -5.023 -4.350 -4.350 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.171 -5.247 -5.591 1.00 0.00 H new ATOM 0 HG SER A 38 -6.389 -5.895 -5.406 1.00 0.00 H new ATOM 537 N PHE A 39 -4.175 -3.984 -2.097 1.00 0.00 N ATOM 538 CA PHE A 39 -4.537 -3.350 -0.835 1.00 0.00 C ATOM 539 C PHE A 39 -5.602 -2.279 -1.050 1.00 0.00 C ATOM 540 O PHE A 39 -5.373 -1.290 -1.747 1.00 0.00 O ATOM 541 CB PHE A 39 -3.301 -2.732 -0.178 1.00 0.00 C ATOM 542 CG PHE A 39 -2.454 -3.727 0.562 1.00 0.00 C ATOM 543 CD1 PHE A 39 -2.999 -4.512 1.565 1.00 0.00 C ATOM 544 CD2 PHE A 39 -1.112 -3.879 0.253 1.00 0.00 C ATOM 545 CE1 PHE A 39 -2.222 -5.429 2.247 1.00 0.00 C ATOM 546 CE2 PHE A 39 -0.330 -4.795 0.931 1.00 0.00 C ATOM 547 CZ PHE A 39 -0.886 -5.570 1.930 1.00 0.00 C ATOM 0 H PHE A 39 -4.038 -3.334 -2.871 1.00 0.00 H new ATOM 0 HA PHE A 39 -4.946 -4.116 -0.176 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.695 -2.250 -0.945 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.619 -1.952 0.514 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.044 -4.406 1.817 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -0.672 -3.275 -0.527 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -2.660 -6.035 3.027 1.00 0.00 H new ATOM 0 HE2 PHE A 39 0.715 -4.905 0.680 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.276 -6.285 2.462 1.00 0.00 H new ATOM 557 N LEU A 40 -6.768 -2.483 -0.447 1.00 0.00 N ATOM 558 CA LEU A 40 -7.871 -1.536 -0.572 1.00 0.00 C ATOM 559 C LEU A 40 -8.017 -0.700 0.695 1.00 0.00 C ATOM 560 O LEU A 40 -8.542 -1.171 1.705 1.00 0.00 O ATOM 561 CB LEU A 40 -9.177 -2.279 -0.861 1.00 0.00 C ATOM 562 CG LEU A 40 -10.352 -1.415 -1.319 1.00 0.00 C ATOM 563 CD1 LEU A 40 -10.106 -0.879 -2.721 1.00 0.00 C ATOM 564 CD2 LEU A 40 -11.649 -2.211 -1.271 1.00 0.00 C ATOM 0 H LEU A 40 -6.974 -3.296 0.134 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.650 -0.866 -1.403 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.983 -3.029 -1.627 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.475 -2.814 0.041 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.442 -0.568 -0.639 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.953 -0.266 -3.030 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.200 -0.274 -2.725 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.989 -1.712 -3.414 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.475 -1.581 -1.600 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.569 -3.077 -1.928 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.833 -2.546 -0.250 1.00 0.00 H new ATOM 576 N LEU A 41 -7.551 0.542 0.635 1.00 0.00 N ATOM 577 CA LEU A 41 -7.632 1.446 1.777 1.00 0.00 C ATOM 578 C LEU A 41 -8.921 2.261 1.737 1.00 0.00 C ATOM 579 O LEU A 41 -9.291 2.804 0.696 1.00 0.00 O ATOM 580 CB LEU A 41 -6.423 2.383 1.798 1.00 0.00 C ATOM 581 CG LEU A 41 -6.410 3.437 2.905 1.00 0.00 C ATOM 582 CD1 LEU A 41 -5.923 2.832 4.213 1.00 0.00 C ATOM 583 CD2 LEU A 41 -5.538 4.619 2.506 1.00 0.00 C ATOM 0 H LEU A 41 -7.113 0.947 -0.193 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.633 0.844 2.686 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.521 1.778 1.890 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.368 2.894 0.837 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.429 3.795 3.051 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.921 3.597 4.989 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.587 2.019 4.507 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.912 2.446 4.081 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.541 5.359 3.306 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.518 4.276 2.332 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.930 5.069 1.594 1.00 0.00 H new ATOM 595 N ARG A 42 -9.598 2.344 2.877 1.00 0.00 N ATOM 596 CA ARG A 42 -10.845 3.093 2.973 1.00 0.00 C ATOM 597 C ARG A 42 -10.750 4.171 4.048 1.00 0.00 C ATOM 598 O ARG A 42 -10.563 3.871 5.228 1.00 0.00 O ATOM 599 CB ARG A 42 -12.009 2.150 3.282 1.00 0.00 C ATOM 600 CG ARG A 42 -12.619 1.510 2.045 1.00 0.00 C ATOM 601 CD ARG A 42 -13.492 0.319 2.408 1.00 0.00 C ATOM 602 NE ARG A 42 -14.496 0.044 1.383 1.00 0.00 N ATOM 603 CZ ARG A 42 -15.374 -0.950 1.462 1.00 0.00 C ATOM 604 NH1 ARG A 42 -15.372 -1.758 2.513 1.00 0.00 N ATOM 605 NH2 ARG A 42 -16.256 -1.136 0.489 1.00 0.00 N ATOM 0 H ARG A 42 -9.304 1.902 3.748 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.024 3.577 2.013 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -11.661 1.365 3.953 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -12.783 2.704 3.814 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -13.214 2.248 1.508 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -11.825 1.189 1.371 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -12.865 -0.562 2.546 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -13.988 0.510 3.360 1.00 0.00 H new ATOM 0 HE ARG A 42 -14.524 0.648 0.562 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -14.695 -1.617 3.263 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -16.047 -2.520 2.571 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -16.261 -0.516 -0.321 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -16.930 -1.899 0.550 1.00 0.00 H new ATOM 619 N PHE A 43 -10.881 5.427 3.633 1.00 0.00 N ATOM 620 CA PHE A 43 -10.809 6.550 4.561 1.00 0.00 C ATOM 621 C PHE A 43 -12.160 7.250 4.673 1.00 0.00 C ATOM 622 O PHE A 43 -12.685 7.772 3.690 1.00 0.00 O ATOM 623 CB PHE A 43 -9.741 7.547 4.105 1.00 0.00 C ATOM 624 CG PHE A 43 -9.597 7.631 2.613 1.00 0.00 C ATOM 625 CD1 PHE A 43 -9.149 6.542 1.884 1.00 0.00 C ATOM 626 CD2 PHE A 43 -9.910 8.801 1.938 1.00 0.00 C ATOM 627 CE1 PHE A 43 -9.016 6.616 0.510 1.00 0.00 C ATOM 628 CE2 PHE A 43 -9.780 8.881 0.565 1.00 0.00 C ATOM 629 CZ PHE A 43 -9.331 7.788 -0.150 1.00 0.00 C ATOM 0 H PHE A 43 -11.037 5.693 2.661 1.00 0.00 H new ATOM 0 HA PHE A 43 -10.539 6.162 5.543 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.988 8.535 4.494 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -8.782 7.264 4.539 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -8.900 5.624 2.395 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -10.259 9.660 2.492 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -8.666 5.759 -0.047 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -10.029 9.798 0.051 1.00 0.00 H new ATOM 0 HZ PHE A 43 -9.226 7.849 -1.223 1.00 0.00 H new ATOM 639 N GLY A 44 -12.718 7.257 5.880 1.00 0.00 N ATOM 640 CA GLY A 44 -14.003 7.895 6.100 1.00 0.00 C ATOM 641 C GLY A 44 -13.977 8.864 7.265 1.00 0.00 C ATOM 642 O GLY A 44 -13.069 8.824 8.095 1.00 0.00 O ATOM 0 H GLY A 44 -12.303 6.832 6.709 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -14.301 8.426 5.196 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -14.758 7.131 6.284 1.00 0.00 H new ATOM 646 N VAL A 45 -14.977 9.738 7.328 1.00 0.00 N ATOM 647 CA VAL A 45 -15.066 10.722 8.400 1.00 0.00 C ATOM 648 C VAL A 45 -15.905 10.197 9.560 1.00 0.00 C ATOM 649 O VAL A 45 -17.130 10.104 9.480 1.00 0.00 O ATOM 650 CB VAL A 45 -15.673 12.045 7.899 1.00 0.00 C ATOM 651 CG1 VAL A 45 -15.854 13.021 9.051 1.00 0.00 C ATOM 652 CG2 VAL A 45 -14.803 12.651 6.808 1.00 0.00 C ATOM 0 H VAL A 45 -15.737 9.784 6.649 1.00 0.00 H new ATOM 0 HA VAL A 45 -14.049 10.906 8.745 1.00 0.00 H new ATOM 0 HB VAL A 45 -16.655 11.835 7.475 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -16.284 13.950 8.677 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -16.521 12.586 9.795 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -14.886 13.228 9.508 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -15.247 13.586 6.466 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -13.806 12.846 7.204 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -14.731 11.956 5.972 1.00 0.00 H new ATOM 662 N PRO A 46 -15.232 9.845 10.665 1.00 0.00 N ATOM 663 CA PRO A 46 -15.897 9.324 11.864 1.00 0.00 C ATOM 664 C PRO A 46 -16.715 10.391 12.583 1.00 0.00 C ATOM 665 O PRO A 46 -16.162 11.335 13.148 1.00 0.00 O ATOM 666 CB PRO A 46 -14.732 8.861 12.742 1.00 0.00 C ATOM 667 CG PRO A 46 -13.573 9.688 12.302 1.00 0.00 C ATOM 668 CD PRO A 46 -13.772 9.928 10.831 1.00 0.00 C ATOM 0 HA PRO A 46 -16.609 8.534 11.625 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.948 9.014 13.799 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -14.533 7.798 12.608 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -13.535 10.630 12.850 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -12.631 9.172 12.490 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -13.388 10.902 10.527 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -13.256 9.180 10.229 1.00 0.00 H new ATOM 923 N GLU A 62 -11.547 5.286 -1.933 1.00 0.00 N ATOM 924 CA GLU A 62 -10.633 4.228 -1.520 1.00 0.00 C ATOM 925 C GLU A 62 -9.420 4.165 -2.443 1.00 0.00 C ATOM 926 O GLU A 62 -9.475 4.611 -3.590 1.00 0.00 O ATOM 927 CB GLU A 62 -11.351 2.877 -1.510 1.00 0.00 C ATOM 928 CG GLU A 62 -11.966 2.505 -2.849 1.00 0.00 C ATOM 929 CD GLU A 62 -13.121 3.409 -3.231 1.00 0.00 C ATOM 930 OE1 GLU A 62 -14.252 3.155 -2.765 1.00 0.00 O ATOM 931 OE2 GLU A 62 -12.896 4.370 -3.997 1.00 0.00 O ATOM 0 HA GLU A 62 -10.288 4.455 -0.511 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.644 2.101 -1.216 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -12.135 2.897 -0.753 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.200 2.554 -3.623 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -12.315 1.473 -2.810 1.00 0.00 H new ATOM 938 N LEU A 63 -8.325 3.610 -1.936 1.00 0.00 N ATOM 939 CA LEU A 63 -7.097 3.489 -2.714 1.00 0.00 C ATOM 940 C LEU A 63 -6.855 2.040 -3.126 1.00 0.00 C ATOM 941 O LEU A 63 -7.331 1.111 -2.474 1.00 0.00 O ATOM 942 CB LEU A 63 -5.906 4.008 -1.908 1.00 0.00 C ATOM 943 CG LEU A 63 -4.730 4.549 -2.721 1.00 0.00 C ATOM 944 CD1 LEU A 63 -5.157 5.759 -3.538 1.00 0.00 C ATOM 945 CD2 LEU A 63 -3.567 4.906 -1.806 1.00 0.00 C ATOM 0 H LEU A 63 -8.262 3.236 -0.989 1.00 0.00 H new ATOM 0 HA LEU A 63 -7.206 4.091 -3.616 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.258 4.799 -1.246 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.542 3.200 -1.274 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.400 3.770 -3.408 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.307 6.130 -4.110 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.957 5.473 -4.221 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.514 6.542 -2.869 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.739 5.289 -2.402 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.885 5.668 -1.094 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.243 4.017 -1.265 1.00 0.00 H new ATOM 957 N MET A 64 -6.109 1.856 -4.211 1.00 0.00 N ATOM 958 CA MET A 64 -5.800 0.520 -4.707 1.00 0.00 C ATOM 959 C MET A 64 -4.305 0.369 -4.968 1.00 0.00 C ATOM 960 O MET A 64 -3.772 0.928 -5.927 1.00 0.00 O ATOM 961 CB MET A 64 -6.584 0.235 -5.989 1.00 0.00 C ATOM 962 CG MET A 64 -6.922 -1.235 -6.182 1.00 0.00 C ATOM 963 SD MET A 64 -8.418 -1.482 -7.157 1.00 0.00 S ATOM 964 CE MET A 64 -9.550 -2.067 -5.898 1.00 0.00 C ATOM 0 H MET A 64 -5.708 2.614 -4.763 1.00 0.00 H new ATOM 0 HA MET A 64 -6.092 -0.200 -3.943 1.00 0.00 H new ATOM 0 HB2 MET A 64 -7.508 0.813 -5.976 1.00 0.00 H new ATOM 0 HB3 MET A 64 -6.004 0.581 -6.844 1.00 0.00 H new ATOM 0 HG2 MET A 64 -6.087 -1.734 -6.673 1.00 0.00 H new ATOM 0 HG3 MET A 64 -7.047 -1.706 -5.207 1.00 0.00 H new ATOM 0 HE1 MET A 64 -10.213 -2.819 -6.326 1.00 0.00 H new ATOM 0 HE2 MET A 64 -8.985 -2.507 -5.077 1.00 0.00 H new ATOM 0 HE3 MET A 64 -10.142 -1.231 -5.524 1.00 0.00 H new ATOM 974 N VAL A 65 -3.632 -0.389 -4.108 1.00 0.00 N ATOM 975 CA VAL A 65 -2.198 -0.613 -4.246 1.00 0.00 C ATOM 976 C VAL A 65 -1.862 -2.097 -4.148 1.00 0.00 C ATOM 977 O VAL A 65 -2.388 -2.824 -3.304 1.00 0.00 O ATOM 978 CB VAL A 65 -1.403 0.154 -3.173 1.00 0.00 C ATOM 979 CG1 VAL A 65 -0.034 0.550 -3.703 1.00 0.00 C ATOM 980 CG2 VAL A 65 -2.179 1.377 -2.709 1.00 0.00 C ATOM 0 H VAL A 65 -4.057 -0.858 -3.308 1.00 0.00 H new ATOM 0 HA VAL A 65 -1.914 -0.243 -5.231 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.257 -0.502 -2.315 1.00 0.00 H new ATOM 0 HG11 VAL A 65 0.513 1.091 -2.931 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.522 -0.346 -3.981 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.153 1.189 -4.578 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -1.603 1.907 -1.951 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.358 2.038 -3.557 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.133 1.063 -2.286 1.00 0.00 H new ATOM 990 N PRO A 66 -0.964 -2.560 -5.030 1.00 0.00 N ATOM 991 CA PRO A 66 -0.536 -3.962 -5.062 1.00 0.00 C ATOM 992 C PRO A 66 0.313 -4.337 -3.853 1.00 0.00 C ATOM 993 O PRO A 66 0.999 -3.493 -3.278 1.00 0.00 O ATOM 994 CB PRO A 66 0.293 -4.051 -6.346 1.00 0.00 C ATOM 995 CG PRO A 66 0.783 -2.663 -6.576 1.00 0.00 C ATOM 996 CD PRO A 66 -0.297 -1.751 -6.064 1.00 0.00 C ATOM 0 HA PRO A 66 -1.383 -4.647 -5.037 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.122 -4.750 -6.235 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -0.310 -4.402 -7.183 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.722 -2.489 -6.051 1.00 0.00 H new ATOM 0 HG3 PRO A 66 0.973 -2.487 -7.635 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.116 -0.831 -5.650 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.988 -1.462 -6.856 1.00 0.00 H new ATOM 1004 N GLY A 67 0.262 -5.610 -3.471 1.00 0.00 N ATOM 1005 CA GLY A 67 1.032 -6.074 -2.332 1.00 0.00 C ATOM 1006 C GLY A 67 2.464 -5.578 -2.359 1.00 0.00 C ATOM 1007 O GLY A 67 2.998 -5.143 -1.338 1.00 0.00 O ATOM 0 H GLY A 67 -0.299 -6.328 -3.930 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.552 -5.739 -1.412 1.00 0.00 H new ATOM 0 HA3 GLY A 67 1.029 -7.164 -2.315 1.00 0.00 H new ATOM 1011 N THR A 68 3.090 -5.644 -3.530 1.00 0.00 N ATOM 1012 CA THR A 68 4.469 -5.200 -3.686 1.00 0.00 C ATOM 1013 C THR A 68 4.640 -3.759 -3.219 1.00 0.00 C ATOM 1014 O THR A 68 5.716 -3.366 -2.768 1.00 0.00 O ATOM 1015 CB THR A 68 4.934 -5.312 -5.150 1.00 0.00 C ATOM 1016 OG1 THR A 68 6.319 -4.964 -5.253 1.00 0.00 O ATOM 1017 CG2 THR A 68 4.109 -4.404 -6.050 1.00 0.00 C ATOM 0 H THR A 68 2.663 -6.001 -4.385 1.00 0.00 H new ATOM 0 HA THR A 68 5.083 -5.855 -3.067 1.00 0.00 H new ATOM 0 HB THR A 68 4.795 -6.343 -5.474 1.00 0.00 H new ATOM 0 HG1 THR A 68 6.607 -5.039 -6.187 1.00 0.00 H new ATOM 0 HG21 THR A 68 4.455 -4.500 -7.079 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.059 -4.691 -5.992 1.00 0.00 H new ATOM 0 HG23 THR A 68 4.221 -3.370 -5.724 1.00 0.00 H new ATOM 1025 N ARG A 69 3.572 -2.976 -3.329 1.00 0.00 N ATOM 1026 CA ARG A 69 3.604 -1.578 -2.919 1.00 0.00 C ATOM 1027 C ARG A 69 2.748 -1.357 -1.675 1.00 0.00 C ATOM 1028 O ARG A 69 1.548 -1.637 -1.676 1.00 0.00 O ATOM 1029 CB ARG A 69 3.113 -0.679 -4.055 1.00 0.00 C ATOM 1030 CG ARG A 69 4.228 -0.169 -4.953 1.00 0.00 C ATOM 1031 CD ARG A 69 3.680 0.656 -6.107 1.00 0.00 C ATOM 1032 NE ARG A 69 4.738 1.359 -6.828 1.00 0.00 N ATOM 1033 CZ ARG A 69 5.377 2.419 -6.345 1.00 0.00 C ATOM 1034 NH1 ARG A 69 5.066 2.896 -5.147 1.00 0.00 N ATOM 1035 NH2 ARG A 69 6.328 3.005 -7.061 1.00 0.00 N ATOM 0 H ARG A 69 2.674 -3.287 -3.699 1.00 0.00 H new ATOM 0 HA ARG A 69 4.636 -1.319 -2.681 1.00 0.00 H new ATOM 0 HB2 ARG A 69 2.395 -1.232 -4.660 1.00 0.00 H new ATOM 0 HB3 ARG A 69 2.582 0.173 -3.630 1.00 0.00 H new ATOM 0 HG2 ARG A 69 4.920 0.437 -4.368 1.00 0.00 H new ATOM 0 HG3 ARG A 69 4.796 -1.013 -5.345 1.00 0.00 H new ATOM 0 HD2 ARG A 69 3.143 0.004 -6.796 1.00 0.00 H new ATOM 0 HD3 ARG A 69 2.959 1.379 -5.725 1.00 0.00 H new ATOM 0 HE ARG A 69 5.001 1.018 -7.753 1.00 0.00 H new ATOM 0 HH11 ARG A 69 4.335 2.449 -4.594 1.00 0.00 H new ATOM 0 HH12 ARG A 69 5.558 3.710 -4.779 1.00 0.00 H new ATOM 0 HH21 ARG A 69 6.569 2.642 -7.983 1.00 0.00 H new ATOM 0 HH22 ARG A 69 6.818 3.819 -6.689 1.00 0.00 H new ATOM 1049 N HIS A 70 3.372 -0.853 -0.615 1.00 0.00 N ATOM 1050 CA HIS A 70 2.668 -0.594 0.636 1.00 0.00 C ATOM 1051 C HIS A 70 2.678 0.896 0.967 1.00 0.00 C ATOM 1052 O HIS A 70 3.301 1.321 1.939 1.00 0.00 O ATOM 1053 CB HIS A 70 3.305 -1.386 1.778 1.00 0.00 C ATOM 1054 CG HIS A 70 3.790 -2.743 1.368 1.00 0.00 C ATOM 1055 ND1 HIS A 70 4.992 -2.950 0.727 1.00 0.00 N ATOM 1056 CD2 HIS A 70 3.227 -3.965 1.514 1.00 0.00 C ATOM 1057 CE1 HIS A 70 5.148 -4.241 0.494 1.00 0.00 C ATOM 1058 NE2 HIS A 70 4.090 -4.879 0.963 1.00 0.00 N ATOM 0 H HIS A 70 4.364 -0.616 -0.597 1.00 0.00 H new ATOM 0 HA HIS A 70 1.633 -0.914 0.515 1.00 0.00 H new ATOM 0 HB2 HIS A 70 4.142 -0.816 2.181 1.00 0.00 H new ATOM 0 HB3 HIS A 70 2.578 -1.497 2.582 1.00 0.00 H new ATOM 0 HD1 HIS A 70 5.658 -2.220 0.472 1.00 0.00 H new ATOM 0 HD2 HIS A 70 2.276 -4.181 1.978 1.00 0.00 H new ATOM 0 HE1 HIS A 70 5.995 -4.697 0.004 1.00 0.00 H new ATOM 1067 N SER A 71 1.984 1.683 0.151 1.00 0.00 N ATOM 1068 CA SER A 71 1.916 3.125 0.354 1.00 0.00 C ATOM 1069 C SER A 71 0.526 3.656 0.020 1.00 0.00 C ATOM 1070 O SER A 71 -0.165 3.119 -0.845 1.00 0.00 O ATOM 1071 CB SER A 71 2.965 3.832 -0.506 1.00 0.00 C ATOM 1072 OG SER A 71 2.729 3.608 -1.886 1.00 0.00 O ATOM 0 H SER A 71 1.461 1.346 -0.657 1.00 0.00 H new ATOM 0 HA SER A 71 2.120 3.329 1.405 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.947 4.902 -0.300 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.959 3.473 -0.241 1.00 0.00 H new ATOM 0 HG SER A 71 3.412 4.072 -2.414 1.00 0.00 H new ATOM 1078 N ALA A 72 0.122 4.716 0.713 1.00 0.00 N ATOM 1079 CA ALA A 72 -1.184 5.323 0.489 1.00 0.00 C ATOM 1080 C ALA A 72 -1.157 6.815 0.801 1.00 0.00 C ATOM 1081 O ALA A 72 -0.813 7.222 1.911 1.00 0.00 O ATOM 1082 CB ALA A 72 -2.241 4.625 1.332 1.00 0.00 C ATOM 0 H ALA A 72 0.681 5.172 1.434 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.437 5.204 -0.564 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.212 5.088 1.155 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.287 3.571 1.059 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -1.983 4.715 2.387 1.00 0.00 H new ATOM 1088 N VAL A 73 -1.522 7.628 -0.186 1.00 0.00 N ATOM 1089 CA VAL A 73 -1.540 9.076 -0.017 1.00 0.00 C ATOM 1090 C VAL A 73 -2.945 9.635 -0.212 1.00 0.00 C ATOM 1091 O VAL A 73 -3.470 9.650 -1.326 1.00 0.00 O ATOM 1092 CB VAL A 73 -0.583 9.769 -1.004 1.00 0.00 C ATOM 1093 CG1 VAL A 73 -0.731 11.280 -0.921 1.00 0.00 C ATOM 1094 CG2 VAL A 73 0.855 9.350 -0.734 1.00 0.00 C ATOM 0 H VAL A 73 -1.809 7.308 -1.111 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.209 9.279 1.001 1.00 0.00 H new ATOM 0 HB VAL A 73 -0.845 9.458 -2.015 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.047 11.752 -1.626 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.755 11.559 -1.168 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.497 11.613 0.090 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.518 9.849 -1.441 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.131 9.630 0.283 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.947 8.270 -0.850 1.00 0.00 H new ATOM 1104 N LEU A 74 -3.550 10.094 0.879 1.00 0.00 N ATOM 1105 CA LEU A 74 -4.895 10.655 0.828 1.00 0.00 C ATOM 1106 C LEU A 74 -4.852 12.145 0.504 1.00 0.00 C ATOM 1107 O LEU A 74 -4.139 12.911 1.153 1.00 0.00 O ATOM 1108 CB LEU A 74 -5.612 10.432 2.161 1.00 0.00 C ATOM 1109 CG LEU A 74 -5.972 8.984 2.495 1.00 0.00 C ATOM 1110 CD1 LEU A 74 -6.418 8.242 1.245 1.00 0.00 C ATOM 1111 CD2 LEU A 74 -4.790 8.277 3.144 1.00 0.00 C ATOM 0 H LEU A 74 -3.130 10.088 1.809 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.445 10.146 0.036 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.981 10.822 2.960 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.528 11.023 2.161 1.00 0.00 H new ATOM 0 HG LEU A 74 -6.800 8.990 3.203 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.670 7.213 1.503 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.293 8.735 0.822 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -5.611 8.245 0.513 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.064 7.248 3.375 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.942 8.282 2.459 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.516 8.795 4.063 1.00 0.00 H new ATOM 1123 N ARG A 75 -5.621 12.549 -0.502 1.00 0.00 N ATOM 1124 CA ARG A 75 -5.671 13.948 -0.911 1.00 0.00 C ATOM 1125 C ARG A 75 -7.073 14.520 -0.721 1.00 0.00 C ATOM 1126 O ARG A 75 -8.009 13.796 -0.379 1.00 0.00 O ATOM 1127 CB ARG A 75 -5.245 14.089 -2.373 1.00 0.00 C ATOM 1128 CG ARG A 75 -3.745 13.969 -2.585 1.00 0.00 C ATOM 1129 CD ARG A 75 -3.047 15.306 -2.390 1.00 0.00 C ATOM 1130 NE ARG A 75 -1.670 15.281 -2.877 1.00 0.00 N ATOM 1131 CZ ARG A 75 -0.905 16.362 -2.974 1.00 0.00 C ATOM 1132 NH1 ARG A 75 -1.379 17.548 -2.619 1.00 0.00 N ATOM 1133 NH2 ARG A 75 0.338 16.258 -3.426 1.00 0.00 N ATOM 0 H ARG A 75 -6.218 11.928 -1.049 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.980 14.510 -0.282 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.749 13.325 -2.965 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.580 15.056 -2.749 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.335 13.238 -1.888 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.547 13.597 -3.590 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.602 16.085 -2.913 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.053 15.567 -1.332 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.274 14.384 -3.158 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.334 17.632 -2.270 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.789 18.377 -2.695 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.707 15.347 -3.699 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.925 17.089 -3.500 1.00 0.00 H new ATOM 1147 N ASP A 76 -7.210 15.822 -0.943 1.00 0.00 N ATOM 1148 CA ASP A 76 -8.497 16.492 -0.797 1.00 0.00 C ATOM 1149 C ASP A 76 -9.038 16.326 0.620 1.00 0.00 C ATOM 1150 O ASP A 76 -10.242 16.163 0.821 1.00 0.00 O ATOM 1151 CB ASP A 76 -9.502 15.938 -1.808 1.00 0.00 C ATOM 1152 CG ASP A 76 -9.152 16.310 -3.236 1.00 0.00 C ATOM 1153 OD1 ASP A 76 -9.562 17.402 -3.681 1.00 0.00 O ATOM 1154 OD2 ASP A 76 -8.468 15.510 -3.907 1.00 0.00 O ATOM 0 H ASP A 76 -6.445 16.435 -1.225 1.00 0.00 H new ATOM 0 HA ASP A 76 -8.349 17.555 -0.988 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -9.543 14.852 -1.718 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -10.497 16.315 -1.571 1.00 0.00 H new ATOM 1159 N LEU A 77 -8.141 16.366 1.598 1.00 0.00 N ATOM 1160 CA LEU A 77 -8.528 16.219 2.997 1.00 0.00 C ATOM 1161 C LEU A 77 -8.749 17.581 3.647 1.00 0.00 C ATOM 1162 O LEU A 77 -8.535 18.620 3.023 1.00 0.00 O ATOM 1163 CB LEU A 77 -7.456 15.443 3.765 1.00 0.00 C ATOM 1164 CG LEU A 77 -6.861 14.231 3.046 1.00 0.00 C ATOM 1165 CD1 LEU A 77 -5.723 13.634 3.860 1.00 0.00 C ATOM 1166 CD2 LEU A 77 -7.936 13.187 2.783 1.00 0.00 C ATOM 0 H LEU A 77 -7.141 16.499 1.449 1.00 0.00 H new ATOM 0 HA LEU A 77 -9.465 15.664 3.032 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -6.645 16.129 4.011 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.885 15.106 4.708 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.461 14.561 2.087 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.312 12.773 3.333 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.942 14.382 3.997 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.098 13.319 4.833 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.495 12.332 2.271 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -8.366 12.861 3.730 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.718 13.619 2.159 1.00 0.00 H new ATOM 1178 N ARG A 78 -9.177 17.568 4.905 1.00 0.00 N ATOM 1179 CA ARG A 78 -9.426 18.803 5.641 1.00 0.00 C ATOM 1180 C ARG A 78 -8.199 19.208 6.453 1.00 0.00 C ATOM 1181 O ARG A 78 -7.164 18.544 6.407 1.00 0.00 O ATOM 1182 CB ARG A 78 -10.632 18.635 6.567 1.00 0.00 C ATOM 1183 CG ARG A 78 -11.969 18.777 5.858 1.00 0.00 C ATOM 1184 CD ARG A 78 -13.098 19.031 6.844 1.00 0.00 C ATOM 1185 NE ARG A 78 -13.251 17.933 7.795 1.00 0.00 N ATOM 1186 CZ ARG A 78 -13.867 18.055 8.965 1.00 0.00 C ATOM 1187 NH1 ARG A 78 -14.385 19.221 9.327 1.00 0.00 N ATOM 1188 NH2 ARG A 78 -13.967 17.010 9.776 1.00 0.00 N ATOM 0 H ARG A 78 -9.359 16.716 5.436 1.00 0.00 H new ATOM 0 HA ARG A 78 -9.639 19.591 4.919 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -10.583 17.654 7.039 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -10.573 19.376 7.365 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -11.917 19.598 5.143 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -12.178 17.871 5.289 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -12.904 19.956 7.387 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -14.031 19.171 6.298 1.00 0.00 H new ATOM 0 HE ARG A 78 -12.863 17.023 7.547 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -14.311 20.027 8.706 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -14.858 19.312 10.226 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -13.570 16.111 9.501 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -14.440 17.105 10.674 1.00 0.00 H new ATOM 1202 N SER A 79 -8.324 20.304 7.195 1.00 0.00 N ATOM 1203 CA SER A 79 -7.225 20.801 8.014 1.00 0.00 C ATOM 1204 C SER A 79 -7.385 20.359 9.466 1.00 0.00 C ATOM 1205 O SER A 79 -8.491 20.347 10.004 1.00 0.00 O ATOM 1206 CB SER A 79 -7.154 22.327 7.939 1.00 0.00 C ATOM 1207 OG SER A 79 -8.438 22.906 8.105 1.00 0.00 O ATOM 0 H SER A 79 -9.175 20.864 7.246 1.00 0.00 H new ATOM 0 HA SER A 79 -6.297 20.382 7.625 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.480 22.701 8.710 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.737 22.628 6.978 1.00 0.00 H new ATOM 0 HG SER A 79 -8.366 23.882 8.055 1.00 0.00 H new ATOM 1213 N GLY A 80 -6.271 19.995 10.094 1.00 0.00 N ATOM 1214 CA GLY A 80 -6.309 19.556 11.477 1.00 0.00 C ATOM 1215 C GLY A 80 -7.533 18.718 11.786 1.00 0.00 C ATOM 1216 O GLY A 80 -8.221 18.952 12.780 1.00 0.00 O ATOM 0 H GLY A 80 -5.343 19.996 9.670 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.412 18.977 11.696 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -6.294 20.427 12.132 1.00 0.00 H new ATOM 1220 N THR A 81 -7.809 17.738 10.931 1.00 0.00 N ATOM 1221 CA THR A 81 -8.960 16.863 11.116 1.00 0.00 C ATOM 1222 C THR A 81 -8.529 15.409 11.261 1.00 0.00 C ATOM 1223 O THR A 81 -7.670 14.928 10.520 1.00 0.00 O ATOM 1224 CB THR A 81 -9.948 16.979 9.940 1.00 0.00 C ATOM 1225 OG1 THR A 81 -10.391 18.334 9.804 1.00 0.00 O ATOM 1226 CG2 THR A 81 -11.148 16.067 10.149 1.00 0.00 C ATOM 0 H THR A 81 -7.251 17.530 10.103 1.00 0.00 H new ATOM 0 HA THR A 81 -9.456 17.184 12.032 1.00 0.00 H new ATOM 0 HB THR A 81 -9.432 16.672 9.030 1.00 0.00 H new ATOM 0 HG1 THR A 81 -9.615 18.933 9.801 1.00 0.00 H new ATOM 0 HG21 THR A 81 -11.832 16.166 9.306 1.00 0.00 H new ATOM 0 HG22 THR A 81 -10.811 15.033 10.223 1.00 0.00 H new ATOM 0 HG23 THR A 81 -11.662 16.347 11.068 1.00 0.00 H new ATOM 1234 N LEU A 82 -9.128 14.711 12.219 1.00 0.00 N ATOM 1235 CA LEU A 82 -8.806 13.309 12.461 1.00 0.00 C ATOM 1236 C LEU A 82 -9.571 12.402 11.503 1.00 0.00 C ATOM 1237 O LEU A 82 -10.802 12.389 11.493 1.00 0.00 O ATOM 1238 CB LEU A 82 -9.132 12.932 13.907 1.00 0.00 C ATOM 1239 CG LEU A 82 -8.630 11.566 14.375 1.00 0.00 C ATOM 1240 CD1 LEU A 82 -9.288 10.453 13.575 1.00 0.00 C ATOM 1241 CD2 LEU A 82 -7.115 11.486 14.256 1.00 0.00 C ATOM 0 H LEU A 82 -9.840 15.093 12.841 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.738 13.172 12.288 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -8.713 13.695 14.563 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.214 12.962 14.034 1.00 0.00 H new ATOM 0 HG LEU A 82 -8.900 11.441 15.424 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.918 9.488 13.922 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -10.369 10.498 13.710 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -9.049 10.574 12.518 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.775 10.507 14.593 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -6.823 11.633 13.216 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -6.660 12.261 14.873 1.00 0.00 H new ATOM 1253 N TYR A 83 -8.833 11.642 10.700 1.00 0.00 N ATOM 1254 CA TYR A 83 -9.442 10.731 9.738 1.00 0.00 C ATOM 1255 C TYR A 83 -9.176 9.278 10.120 1.00 0.00 C ATOM 1256 O TYR A 83 -8.096 8.940 10.605 1.00 0.00 O ATOM 1257 CB TYR A 83 -8.905 11.007 8.333 1.00 0.00 C ATOM 1258 CG TYR A 83 -9.650 12.102 7.604 1.00 0.00 C ATOM 1259 CD1 TYR A 83 -9.310 13.438 7.779 1.00 0.00 C ATOM 1260 CD2 TYR A 83 -10.695 11.801 6.739 1.00 0.00 C ATOM 1261 CE1 TYR A 83 -9.989 14.441 7.115 1.00 0.00 C ATOM 1262 CE2 TYR A 83 -11.379 12.797 6.070 1.00 0.00 C ATOM 1263 CZ TYR A 83 -11.023 14.116 6.262 1.00 0.00 C ATOM 1264 OH TYR A 83 -11.701 15.113 5.598 1.00 0.00 O ATOM 0 H TYR A 83 -7.813 11.639 10.697 1.00 0.00 H new ATOM 0 HA TYR A 83 -10.519 10.899 9.748 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -7.852 11.280 8.403 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -8.958 10.090 7.746 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -8.501 13.697 8.446 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -10.977 10.770 6.587 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -9.712 15.474 7.263 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -12.188 12.545 5.400 1.00 0.00 H new ATOM 0 HH TYR A 83 -12.399 14.716 5.036 1.00 0.00 H new ATOM 1274 N SER A 84 -10.169 8.423 9.897 1.00 0.00 N ATOM 1275 CA SER A 84 -10.045 7.007 10.220 1.00 0.00 C ATOM 1276 C SER A 84 -9.705 6.193 8.975 1.00 0.00 C ATOM 1277 O SER A 84 -10.545 6.001 8.095 1.00 0.00 O ATOM 1278 CB SER A 84 -11.343 6.489 10.842 1.00 0.00 C ATOM 1279 OG SER A 84 -11.217 5.131 11.229 1.00 0.00 O ATOM 0 H SER A 84 -11.068 8.687 9.494 1.00 0.00 H new ATOM 0 HA SER A 84 -9.234 6.894 10.940 1.00 0.00 H new ATOM 0 HB2 SER A 84 -11.601 7.095 11.710 1.00 0.00 H new ATOM 0 HB3 SER A 84 -12.159 6.592 10.127 1.00 0.00 H new ATOM 0 HG SER A 84 -12.059 4.824 11.625 1.00 0.00 H new ATOM 1285 N LEU A 85 -8.466 5.718 8.907 1.00 0.00 N ATOM 1286 CA LEU A 85 -8.012 4.925 7.770 1.00 0.00 C ATOM 1287 C LEU A 85 -8.093 3.433 8.080 1.00 0.00 C ATOM 1288 O LEU A 85 -7.952 3.018 9.231 1.00 0.00 O ATOM 1289 CB LEU A 85 -6.577 5.303 7.399 1.00 0.00 C ATOM 1290 CG LEU A 85 -6.183 6.760 7.644 1.00 0.00 C ATOM 1291 CD1 LEU A 85 -4.670 6.900 7.714 1.00 0.00 C ATOM 1292 CD2 LEU A 85 -6.753 7.657 6.555 1.00 0.00 C ATOM 0 H LEU A 85 -7.758 5.868 9.626 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.667 5.138 6.925 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.897 4.664 7.962 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.425 5.079 6.343 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.601 7.073 8.601 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.409 7.944 7.889 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.285 6.288 8.530 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.230 6.569 6.773 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -6.463 8.690 6.746 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.365 7.344 5.586 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -7.840 7.580 6.553 1.00 0.00 H new ATOM 1304 N THR A 86 -8.318 2.630 7.044 1.00 0.00 N ATOM 1305 CA THR A 86 -8.416 1.185 7.205 1.00 0.00 C ATOM 1306 C THR A 86 -7.906 0.458 5.966 1.00 0.00 C ATOM 1307 O THR A 86 -8.493 0.560 4.888 1.00 0.00 O ATOM 1308 CB THR A 86 -9.866 0.748 7.482 1.00 0.00 C ATOM 1309 OG1 THR A 86 -10.349 1.378 8.674 1.00 0.00 O ATOM 1310 CG2 THR A 86 -9.957 -0.764 7.629 1.00 0.00 C ATOM 0 H THR A 86 -8.436 2.957 6.085 1.00 0.00 H new ATOM 0 HA THR A 86 -7.795 0.919 8.060 1.00 0.00 H new ATOM 0 HB THR A 86 -10.482 1.053 6.636 1.00 0.00 H new ATOM 0 HG1 THR A 86 -11.272 1.096 8.842 1.00 0.00 H new ATOM 0 HG21 THR A 86 -10.991 -1.049 7.824 1.00 0.00 H new ATOM 0 HG22 THR A 86 -9.617 -1.240 6.709 1.00 0.00 H new ATOM 0 HG23 THR A 86 -9.329 -1.087 8.459 1.00 0.00 H new ATOM 1318 N LEU A 87 -6.810 -0.276 6.126 1.00 0.00 N ATOM 1319 CA LEU A 87 -6.221 -1.021 5.019 1.00 0.00 C ATOM 1320 C LEU A 87 -6.788 -2.436 4.952 1.00 0.00 C ATOM 1321 O LEU A 87 -7.115 -3.034 5.978 1.00 0.00 O ATOM 1322 CB LEU A 87 -4.699 -1.077 5.168 1.00 0.00 C ATOM 1323 CG LEU A 87 -3.908 -1.340 3.886 1.00 0.00 C ATOM 1324 CD1 LEU A 87 -4.232 -0.291 2.834 1.00 0.00 C ATOM 1325 CD2 LEU A 87 -2.415 -1.364 4.177 1.00 0.00 C ATOM 0 H LEU A 87 -6.312 -0.371 7.011 1.00 0.00 H new ATOM 0 HA LEU A 87 -6.471 -0.504 4.092 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.361 -0.132 5.592 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.453 -1.856 5.889 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.198 -2.316 3.496 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.660 -0.495 1.929 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -5.297 -0.323 2.605 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -3.972 0.697 3.213 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.867 -1.552 3.254 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.109 -0.403 4.591 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.197 -2.154 4.896 1.00 0.00 H new ATOM 1337 N TYR A 88 -6.900 -2.966 3.739 1.00 0.00 N ATOM 1338 CA TYR A 88 -7.428 -4.310 3.538 1.00 0.00 C ATOM 1339 C TYR A 88 -6.526 -5.116 2.609 1.00 0.00 C ATOM 1340 O TYR A 88 -6.330 -4.756 1.449 1.00 0.00 O ATOM 1341 CB TYR A 88 -8.843 -4.244 2.963 1.00 0.00 C ATOM 1342 CG TYR A 88 -9.883 -3.793 3.964 1.00 0.00 C ATOM 1343 CD1 TYR A 88 -10.348 -4.656 4.949 1.00 0.00 C ATOM 1344 CD2 TYR A 88 -10.401 -2.504 3.925 1.00 0.00 C ATOM 1345 CE1 TYR A 88 -11.299 -4.249 5.865 1.00 0.00 C ATOM 1346 CE2 TYR A 88 -11.350 -2.088 4.838 1.00 0.00 C ATOM 1347 CZ TYR A 88 -11.797 -2.964 5.805 1.00 0.00 C ATOM 1348 OH TYR A 88 -12.743 -2.554 6.717 1.00 0.00 O ATOM 0 H TYR A 88 -6.632 -2.485 2.880 1.00 0.00 H new ATOM 0 HA TYR A 88 -7.460 -4.809 4.507 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -8.849 -3.562 2.113 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -9.118 -5.228 2.584 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -9.959 -5.662 4.999 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -10.055 -1.816 3.168 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -11.650 -4.933 6.623 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -11.740 -1.082 4.795 1.00 0.00 H new ATOM 0 HH TYR A 88 -12.988 -1.622 6.538 1.00 0.00 H new ATOM 1358 N GLY A 89 -5.978 -6.211 3.128 1.00 0.00 N ATOM 1359 CA GLY A 89 -5.104 -7.052 2.332 1.00 0.00 C ATOM 1360 C GLY A 89 -5.872 -8.029 1.464 1.00 0.00 C ATOM 1361 O GLY A 89 -6.125 -9.165 1.869 1.00 0.00 O ATOM 0 H GLY A 89 -6.124 -6.530 4.086 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -4.478 -6.423 1.699 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -4.436 -7.605 2.993 1.00 0.00 H new ATOM 1365 N LEU A 90 -6.246 -7.588 0.268 1.00 0.00 N ATOM 1366 CA LEU A 90 -6.992 -8.432 -0.660 1.00 0.00 C ATOM 1367 C LEU A 90 -6.107 -9.541 -1.219 1.00 0.00 C ATOM 1368 O LEU A 90 -5.217 -9.288 -2.031 1.00 0.00 O ATOM 1369 CB LEU A 90 -7.558 -7.589 -1.804 1.00 0.00 C ATOM 1370 CG LEU A 90 -8.882 -6.877 -1.522 1.00 0.00 C ATOM 1371 CD1 LEU A 90 -10.006 -7.888 -1.354 1.00 0.00 C ATOM 1372 CD2 LEU A 90 -8.763 -5.999 -0.285 1.00 0.00 C ATOM 0 H LEU A 90 -6.045 -6.651 -0.082 1.00 0.00 H new ATOM 0 HA LEU A 90 -7.816 -8.891 -0.114 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -6.816 -6.839 -2.077 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.693 -8.234 -2.672 1.00 0.00 H new ATOM 0 HG LEU A 90 -9.118 -6.239 -2.374 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -10.940 -7.363 -1.154 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -10.107 -8.474 -2.267 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -9.777 -8.552 -0.520 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -9.714 -5.500 -0.100 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -8.503 -6.616 0.575 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -7.986 -5.251 -0.443 1.00 0.00 H new ATOM 1384 N ARG A 91 -6.360 -10.770 -0.782 1.00 0.00 N ATOM 1385 CA ARG A 91 -5.586 -11.918 -1.240 1.00 0.00 C ATOM 1386 C ARG A 91 -6.211 -12.530 -2.490 1.00 0.00 C ATOM 1387 O ARG A 91 -5.751 -13.557 -2.987 1.00 0.00 O ATOM 1388 CB ARG A 91 -5.494 -12.971 -0.134 1.00 0.00 C ATOM 1389 CG ARG A 91 -6.846 -13.486 0.331 1.00 0.00 C ATOM 1390 CD ARG A 91 -7.289 -14.697 -0.474 1.00 0.00 C ATOM 1391 NE ARG A 91 -6.564 -15.905 -0.089 1.00 0.00 N ATOM 1392 CZ ARG A 91 -6.851 -17.115 -0.556 1.00 0.00 C ATOM 1393 NH1 ARG A 91 -7.842 -17.277 -1.422 1.00 0.00 N ATOM 1394 NH2 ARG A 91 -6.145 -18.166 -0.159 1.00 0.00 N ATOM 0 H ARG A 91 -7.095 -10.997 -0.112 1.00 0.00 H new ATOM 0 HA ARG A 91 -4.582 -11.573 -1.488 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -4.899 -13.811 -0.492 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -4.964 -12.545 0.718 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -6.792 -13.750 1.387 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -7.589 -12.694 0.238 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -8.358 -14.855 -0.332 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -7.133 -14.504 -1.535 1.00 0.00 H new ATOM 0 HE ARG A 91 -5.795 -15.815 0.575 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -8.386 -16.471 -1.731 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -8.060 -18.207 -1.779 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -5.381 -18.045 0.506 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -6.367 -19.094 -0.518 1.00 0.00 H new ATOM 1408 N GLY A 92 -7.264 -11.893 -2.992 1.00 0.00 N ATOM 1409 CA GLY A 92 -7.936 -12.389 -4.179 1.00 0.00 C ATOM 1410 C GLY A 92 -9.378 -11.930 -4.265 1.00 0.00 C ATOM 1411 O GLY A 92 -9.668 -10.735 -4.320 1.00 0.00 O ATOM 0 H GLY A 92 -7.664 -11.042 -2.598 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -7.398 -12.052 -5.065 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -7.904 -13.479 -4.182 1.00 0.00 H new ATOM 1415 N PRO A 93 -10.310 -12.894 -4.278 1.00 0.00 N ATOM 1416 CA PRO A 93 -11.745 -12.606 -4.359 1.00 0.00 C ATOM 1417 C PRO A 93 -12.282 -11.969 -3.082 1.00 0.00 C ATOM 1418 O PRO A 93 -13.185 -11.133 -3.125 1.00 0.00 O ATOM 1419 CB PRO A 93 -12.372 -13.985 -4.573 1.00 0.00 C ATOM 1420 CG PRO A 93 -11.394 -14.942 -3.984 1.00 0.00 C ATOM 1421 CD PRO A 93 -10.035 -14.339 -4.215 1.00 0.00 C ATOM 0 HA PRO A 93 -11.973 -11.892 -5.150 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -13.343 -14.059 -4.082 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -12.534 -14.186 -5.632 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -11.581 -15.086 -2.920 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -11.472 -15.921 -4.457 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -9.345 -14.582 -3.407 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -9.585 -14.703 -5.139 1.00 0.00 H new ATOM 1429 N HIS A 94 -11.719 -12.368 -1.946 1.00 0.00 N ATOM 1430 CA HIS A 94 -12.141 -11.835 -0.655 1.00 0.00 C ATOM 1431 C HIS A 94 -10.949 -11.280 0.119 1.00 0.00 C ATOM 1432 O HIS A 94 -9.802 -11.645 -0.140 1.00 0.00 O ATOM 1433 CB HIS A 94 -12.836 -12.921 0.167 1.00 0.00 C ATOM 1434 CG HIS A 94 -14.249 -13.181 -0.258 1.00 0.00 C ATOM 1435 ND1 HIS A 94 -15.297 -13.279 0.633 1.00 0.00 N ATOM 1436 CD2 HIS A 94 -14.784 -13.362 -1.488 1.00 0.00 C ATOM 1437 CE1 HIS A 94 -16.415 -13.511 -0.031 1.00 0.00 C ATOM 1438 NE2 HIS A 94 -16.132 -13.566 -1.319 1.00 0.00 N ATOM 0 H HIS A 94 -10.970 -13.058 -1.893 1.00 0.00 H new ATOM 0 HA HIS A 94 -12.844 -11.022 -0.838 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -12.265 -13.846 0.088 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -12.829 -12.631 1.218 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -14.251 -13.349 -2.427 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -17.395 -13.635 0.406 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -16.805 -13.733 -2.067 1.00 0.00 H new ATOM 1447 N LYS A 95 -11.228 -10.394 1.069 1.00 0.00 N ATOM 1448 CA LYS A 95 -10.180 -9.788 1.882 1.00 0.00 C ATOM 1449 C LYS A 95 -9.591 -10.803 2.857 1.00 0.00 C ATOM 1450 O LYS A 95 -10.287 -11.703 3.325 1.00 0.00 O ATOM 1451 CB LYS A 95 -10.734 -8.587 2.653 1.00 0.00 C ATOM 1452 CG LYS A 95 -10.726 -7.296 1.853 1.00 0.00 C ATOM 1453 CD LYS A 95 -11.567 -6.221 2.523 1.00 0.00 C ATOM 1454 CE LYS A 95 -13.011 -6.267 2.048 1.00 0.00 C ATOM 1455 NZ LYS A 95 -13.223 -5.429 0.835 1.00 0.00 N ATOM 0 H LYS A 95 -12.172 -10.079 1.295 1.00 0.00 H new ATOM 0 HA LYS A 95 -9.388 -9.450 1.214 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -11.755 -8.805 2.965 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -10.147 -8.446 3.561 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -9.701 -6.942 1.742 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -11.108 -7.486 0.850 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -11.534 -6.353 3.604 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -11.143 -5.240 2.309 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -13.289 -7.298 1.830 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -13.667 -5.922 2.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -14.219 -5.487 0.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -12.982 -4.440 1.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -12.616 -5.774 0.064 1.00 0.00 H new ATOM 1469 N ALA A 96 -8.306 -10.650 3.159 1.00 0.00 N ATOM 1470 CA ALA A 96 -7.626 -11.551 4.080 1.00 0.00 C ATOM 1471 C ALA A 96 -7.514 -10.934 5.470 1.00 0.00 C ATOM 1472 O ALA A 96 -7.919 -11.538 6.463 1.00 0.00 O ATOM 1473 CB ALA A 96 -6.246 -11.909 3.547 1.00 0.00 C ATOM 0 H ALA A 96 -7.715 -9.910 2.779 1.00 0.00 H new ATOM 0 HA ALA A 96 -8.219 -12.462 4.162 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.750 -12.583 4.246 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -6.346 -12.399 2.579 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.653 -11.002 3.435 1.00 0.00 H new ATOM 1479 N ASP A 97 -6.961 -9.727 5.533 1.00 0.00 N ATOM 1480 CA ASP A 97 -6.796 -9.027 6.802 1.00 0.00 C ATOM 1481 C ASP A 97 -7.276 -7.584 6.692 1.00 0.00 C ATOM 1482 O ASP A 97 -7.677 -7.132 5.620 1.00 0.00 O ATOM 1483 CB ASP A 97 -5.331 -9.059 7.240 1.00 0.00 C ATOM 1484 CG ASP A 97 -4.399 -8.498 6.184 1.00 0.00 C ATOM 1485 OD1 ASP A 97 -4.875 -8.205 5.067 1.00 0.00 O ATOM 1486 OD2 ASP A 97 -3.194 -8.351 6.474 1.00 0.00 O ATOM 0 H ASP A 97 -6.620 -9.213 4.721 1.00 0.00 H new ATOM 0 HA ASP A 97 -7.402 -9.536 7.552 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -5.218 -8.488 8.161 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -5.044 -10.086 7.465 1.00 0.00 H new ATOM 1491 N SER A 98 -7.233 -6.865 7.810 1.00 0.00 N ATOM 1492 CA SER A 98 -7.668 -5.473 7.841 1.00 0.00 C ATOM 1493 C SER A 98 -7.063 -4.741 9.035 1.00 0.00 C ATOM 1494 O SER A 98 -7.262 -5.136 10.184 1.00 0.00 O ATOM 1495 CB SER A 98 -9.195 -5.395 7.899 1.00 0.00 C ATOM 1496 OG SER A 98 -9.689 -5.979 9.092 1.00 0.00 O ATOM 0 H SER A 98 -6.902 -7.223 8.706 1.00 0.00 H new ATOM 0 HA SER A 98 -7.322 -4.989 6.928 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.512 -4.354 7.842 1.00 0.00 H new ATOM 0 HB3 SER A 98 -9.622 -5.906 7.036 1.00 0.00 H new ATOM 0 HG SER A 98 -9.056 -5.817 9.822 1.00 0.00 H new ATOM 1502 N ILE A 99 -6.325 -3.673 8.754 1.00 0.00 N ATOM 1503 CA ILE A 99 -5.692 -2.885 9.805 1.00 0.00 C ATOM 1504 C ILE A 99 -6.324 -1.501 9.910 1.00 0.00 C ATOM 1505 O ILE A 99 -6.979 -1.036 8.979 1.00 0.00 O ATOM 1506 CB ILE A 99 -4.180 -2.729 9.558 1.00 0.00 C ATOM 1507 CG1 ILE A 99 -3.492 -2.174 10.807 1.00 0.00 C ATOM 1508 CG2 ILE A 99 -3.929 -1.823 8.361 1.00 0.00 C ATOM 1509 CD1 ILE A 99 -1.988 -2.338 10.791 1.00 0.00 C ATOM 0 H ILE A 99 -6.150 -3.333 7.808 1.00 0.00 H new ATOM 0 HA ILE A 99 -5.845 -3.424 10.740 1.00 0.00 H new ATOM 0 HB ILE A 99 -3.759 -3.711 9.340 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.733 -1.115 10.905 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -3.895 -2.675 11.687 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -2.856 -1.723 8.199 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -4.391 -2.256 7.474 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -4.361 -0.840 8.552 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -1.567 -1.923 11.707 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -1.738 -3.397 10.725 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -1.574 -1.813 9.930 1.00 0.00 H new ATOM 1521 N GLN A 100 -6.120 -0.849 11.050 1.00 0.00 N ATOM 1522 CA GLN A 100 -6.669 0.483 11.276 1.00 0.00 C ATOM 1523 C GLN A 100 -5.561 1.484 11.584 1.00 0.00 C ATOM 1524 O GLN A 100 -4.747 1.268 12.481 1.00 0.00 O ATOM 1525 CB GLN A 100 -7.679 0.452 12.425 1.00 0.00 C ATOM 1526 CG GLN A 100 -8.982 -0.246 12.072 1.00 0.00 C ATOM 1527 CD GLN A 100 -8.948 -1.732 12.371 1.00 0.00 C ATOM 1528 OE1 GLN A 100 -7.963 -2.412 12.083 1.00 0.00 O ATOM 1529 NE2 GLN A 100 -10.026 -2.244 12.953 1.00 0.00 N ATOM 0 H GLN A 100 -5.579 -1.221 11.831 1.00 0.00 H new ATOM 0 HA GLN A 100 -7.175 0.800 10.364 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -7.228 -0.050 13.281 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -7.896 1.474 12.734 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -9.798 0.214 12.629 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -9.194 -0.097 11.013 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -10.820 -1.643 13.174 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -10.060 -3.238 13.179 1.00 0.00 H new ATOM 1538 N GLY A 101 -5.535 2.580 10.833 1.00 0.00 N ATOM 1539 CA GLY A 101 -4.521 3.598 11.041 1.00 0.00 C ATOM 1540 C GLY A 101 -5.117 4.979 11.230 1.00 0.00 C ATOM 1541 O GLY A 101 -5.718 5.536 10.311 1.00 0.00 O ATOM 0 H GLY A 101 -6.198 2.782 10.084 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -3.925 3.340 11.917 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -3.844 3.612 10.187 1.00 0.00 H new ATOM 1545 N THR A 102 -4.952 5.535 12.426 1.00 0.00 N ATOM 1546 CA THR A 102 -5.480 6.858 12.734 1.00 0.00 C ATOM 1547 C THR A 102 -4.412 7.931 12.557 1.00 0.00 C ATOM 1548 O THR A 102 -3.254 7.735 12.927 1.00 0.00 O ATOM 1549 CB THR A 102 -6.025 6.924 14.173 1.00 0.00 C ATOM 1550 OG1 THR A 102 -5.058 6.394 15.088 1.00 0.00 O ATOM 1551 CG2 THR A 102 -7.326 6.146 14.296 1.00 0.00 C ATOM 0 H THR A 102 -4.456 5.089 13.198 1.00 0.00 H new ATOM 0 HA THR A 102 -6.296 7.043 12.036 1.00 0.00 H new ATOM 0 HB THR A 102 -6.221 7.968 14.416 1.00 0.00 H new ATOM 0 HG1 THR A 102 -5.411 6.441 16.001 1.00 0.00 H new ATOM 0 HG21 THR A 102 -7.691 6.207 15.321 1.00 0.00 H new ATOM 0 HG22 THR A 102 -8.069 6.570 13.620 1.00 0.00 H new ATOM 0 HG23 THR A 102 -7.152 5.102 14.035 1.00 0.00 H new ATOM 1559 N ALA A 103 -4.808 9.066 11.990 1.00 0.00 N ATOM 1560 CA ALA A 103 -3.884 10.171 11.767 1.00 0.00 C ATOM 1561 C ALA A 103 -4.630 11.498 11.672 1.00 0.00 C ATOM 1562 O ALA A 103 -5.739 11.561 11.142 1.00 0.00 O ATOM 1563 CB ALA A 103 -3.068 9.931 10.506 1.00 0.00 C ATOM 0 H ALA A 103 -5.762 9.244 11.677 1.00 0.00 H new ATOM 0 HA ALA A 103 -3.207 10.224 12.619 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -2.382 10.764 10.352 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -2.499 9.007 10.611 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -3.737 9.849 9.650 1.00 0.00 H new ATOM 1569 N ARG A 104 -4.013 12.556 12.189 1.00 0.00 N ATOM 1570 CA ARG A 104 -4.620 13.882 12.164 1.00 0.00 C ATOM 1571 C ARG A 104 -3.818 14.830 11.277 1.00 0.00 C ATOM 1572 O ARG A 104 -2.644 15.097 11.537 1.00 0.00 O ATOM 1573 CB ARG A 104 -4.714 14.449 13.582 1.00 0.00 C ATOM 1574 CG ARG A 104 -5.878 15.407 13.778 1.00 0.00 C ATOM 1575 CD ARG A 104 -6.266 15.519 15.244 1.00 0.00 C ATOM 1576 NE ARG A 104 -7.286 16.541 15.463 1.00 0.00 N ATOM 1577 CZ ARG A 104 -7.038 17.845 15.434 1.00 0.00 C ATOM 1578 NH1 ARG A 104 -5.810 18.284 15.195 1.00 0.00 N ATOM 1579 NH2 ARG A 104 -8.019 18.714 15.643 1.00 0.00 N ATOM 0 H ARG A 104 -3.094 12.521 12.630 1.00 0.00 H new ATOM 0 HA ARG A 104 -5.624 13.788 11.750 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -4.810 13.624 14.288 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -3.784 14.966 13.820 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -5.609 16.392 13.395 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -6.735 15.063 13.199 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -6.636 14.556 15.596 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -5.382 15.756 15.836 1.00 0.00 H new ATOM 0 HE ARG A 104 -8.242 16.236 15.648 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -5.053 17.619 15.033 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -5.622 19.286 15.173 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -8.965 18.380 15.826 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -7.827 19.715 15.620 1.00 0.00 H new ATOM 1593 N THR A 105 -4.459 15.336 10.229 1.00 0.00 N ATOM 1594 CA THR A 105 -3.806 16.252 9.303 1.00 0.00 C ATOM 1595 C THR A 105 -3.288 17.489 10.027 1.00 0.00 C ATOM 1596 O THR A 105 -3.626 17.729 11.187 1.00 0.00 O ATOM 1597 CB THR A 105 -4.764 16.693 8.179 1.00 0.00 C ATOM 1598 OG1 THR A 105 -5.991 17.172 8.741 1.00 0.00 O ATOM 1599 CG2 THR A 105 -5.052 15.539 7.230 1.00 0.00 C ATOM 0 H THR A 105 -5.431 15.127 10.000 1.00 0.00 H new ATOM 0 HA THR A 105 -2.967 15.712 8.864 1.00 0.00 H new ATOM 0 HB THR A 105 -4.285 17.495 7.617 1.00 0.00 H new ATOM 0 HG1 THR A 105 -6.480 17.689 8.067 1.00 0.00 H new ATOM 0 HG21 THR A 105 -5.730 15.874 6.445 1.00 0.00 H new ATOM 0 HG22 THR A 105 -4.120 15.195 6.782 1.00 0.00 H new ATOM 0 HG23 THR A 105 -5.513 14.720 7.782 1.00 0.00 H new ATOM 1607 N LEU A 106 -2.466 18.272 9.337 1.00 0.00 N ATOM 1608 CA LEU A 106 -1.901 19.487 9.915 1.00 0.00 C ATOM 1609 C LEU A 106 -2.812 20.684 9.665 1.00 0.00 C ATOM 1610 O LEU A 106 -3.665 20.653 8.778 1.00 0.00 O ATOM 1611 CB LEU A 106 -0.514 19.756 9.328 1.00 0.00 C ATOM 1612 CG LEU A 106 0.622 18.882 9.861 1.00 0.00 C ATOM 1613 CD1 LEU A 106 1.913 19.168 9.111 1.00 0.00 C ATOM 1614 CD2 LEU A 106 0.810 19.104 11.355 1.00 0.00 C ATOM 0 H LEU A 106 -2.176 18.088 8.377 1.00 0.00 H new ATOM 0 HA LEU A 106 -1.812 19.341 10.991 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -0.568 19.627 8.247 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -0.260 20.800 9.512 1.00 0.00 H new ATOM 0 HG LEU A 106 0.357 17.837 9.700 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.710 18.537 9.504 1.00 0.00 H new ATOM 0 HD12 LEU A 106 1.772 18.957 8.051 1.00 0.00 H new ATOM 0 HD13 LEU A 106 2.184 20.216 9.239 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.622 18.474 11.717 1.00 0.00 H new ATOM 0 HD22 LEU A 106 1.052 20.151 11.540 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -0.110 18.847 11.880 1.00 0.00 H new ATOM 1626 N SER A 107 -2.626 21.738 10.453 1.00 0.00 N ATOM 1627 CA SER A 107 -3.432 22.945 10.319 1.00 0.00 C ATOM 1628 C SER A 107 -2.631 24.063 9.660 1.00 0.00 C ATOM 1629 O SER A 107 -1.805 24.712 10.301 1.00 0.00 O ATOM 1630 CB SER A 107 -3.935 23.402 11.690 1.00 0.00 C ATOM 1631 OG SER A 107 -4.063 22.306 12.578 1.00 0.00 O ATOM 0 H SER A 107 -1.924 21.780 11.191 1.00 0.00 H new ATOM 0 HA SER A 107 -4.287 22.713 9.685 1.00 0.00 H new ATOM 0 HB2 SER A 107 -3.244 24.134 12.108 1.00 0.00 H new ATOM 0 HB3 SER A 107 -4.899 23.899 11.580 1.00 0.00 H new ATOM 0 HG SER A 107 -4.384 22.625 13.447 1.00 0.00 H new