USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 672 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 67 THR OG1 : rot -120:sc= -0.0314 USER MOD Set 1.2: A 69 SER OG : rot 180:sc= 0.246 USER MOD Set 2.1: A 49 TYR OH : rot 76:sc= 0.125 USER MOD Set 2.2: A 70 GLN : amide:sc= 0.115 X(o=0.24,f=0.13) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 162:sc= 0.0725 (180deg=0.00745) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 162:sc= 0.644 (180deg=0.141) USER MOD Single : A 27 THR OG1 : rot 55:sc= 0.185 USER MOD Single : A 32 HIS :FLIP no HD1:sc= -0.585 F(o=-2.8,f=-0.58) USER MOD Single : A 35 LYS NZ :NH3+ -115:sc=-0.00551 (180deg=-0.213) USER MOD Single : A 37 THR OG1 : rot -138:sc= 0.0208 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 150:sc= 0.034 USER MOD Single : A 50 LYS NZ :NH3+ -111:sc= 0.0577 (180deg=-0.0601) USER MOD Single : A 53 MET CE :methyl -117:sc= -0.841 (180deg=-3.63) USER MOD Single : A 59 THR OG1 : rot -120:sc= -0.32 USER MOD Single : A 66 SER OG : rot 180:sc= -0.813 USER MOD Single : A 71 SER OG : rot 180:sc= 0.00871 USER MOD Single : A 76 LYS NZ :NH3+ 149:sc= 0.00294 (180deg=-0.272) USER MOD Single : A 77 THR OG1 : rot 83:sc= 0.238 USER MOD Single : A 79 LYS NZ :NH3+ -144:sc= -0.251 (180deg=-0.841) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=-0.0019) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 139:sc= 0.237 USER MOD Single : A 93 GLN : amide:sc= -0.407 X(o=-0.41,f=-0.045) USER MOD Single : A 94 GLN : amide:sc= -0.238 X(o=-0.24,f=-0.28) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 GLN : amide:sc=-0.000716 X(o=-0.00072,f=-0.00072) USER MOD ----------------------------------------------------------------- ATOM 128 N ALA A 9 10.323 6.460 4.655 1.00 0.00 N ATOM 129 CA ALA A 9 10.363 7.000 3.264 1.00 0.00 C ATOM 130 C ALA A 9 10.340 5.839 2.263 1.00 0.00 C ATOM 131 O ALA A 9 9.676 5.901 1.246 1.00 0.00 O ATOM 132 CB ALA A 9 11.681 7.773 3.165 1.00 0.00 C ATOM 0 HA ALA A 9 9.509 7.640 3.041 1.00 0.00 H new ATOM 0 HB1 ALA A 9 11.779 8.199 2.167 1.00 0.00 H new ATOM 0 HB2 ALA A 9 11.689 8.574 3.904 1.00 0.00 H new ATOM 0 HB3 ALA A 9 12.515 7.097 3.354 1.00 0.00 H new ATOM 138 N VAL A 10 11.048 4.773 2.559 1.00 0.00 N ATOM 139 CA VAL A 10 11.057 3.593 1.640 1.00 0.00 C ATOM 140 C VAL A 10 9.645 2.999 1.556 1.00 0.00 C ATOM 141 O VAL A 10 9.191 2.611 0.497 1.00 0.00 O ATOM 142 CB VAL A 10 12.045 2.597 2.267 1.00 0.00 C ATOM 143 CG1 VAL A 10 11.920 1.233 1.580 1.00 0.00 C ATOM 144 CG2 VAL A 10 13.475 3.118 2.092 1.00 0.00 C ATOM 0 H VAL A 10 11.619 4.671 3.398 1.00 0.00 H new ATOM 0 HA VAL A 10 11.355 3.852 0.624 1.00 0.00 H new ATOM 0 HB VAL A 10 11.817 2.490 3.327 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.624 0.533 2.030 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.905 0.856 1.702 1.00 0.00 H new ATOM 0 HG13 VAL A 10 12.143 1.339 0.518 1.00 0.00 H new ATOM 0 HG21 VAL A 10 14.176 2.412 2.537 1.00 0.00 H new ATOM 0 HG22 VAL A 10 13.695 3.228 1.030 1.00 0.00 H new ATOM 0 HG23 VAL A 10 13.573 4.085 2.585 1.00 0.00 H new ATOM 154 N ALA A 11 8.944 2.944 2.665 1.00 0.00 N ATOM 155 CA ALA A 11 7.553 2.397 2.650 1.00 0.00 C ATOM 156 C ALA A 11 6.657 3.291 1.785 1.00 0.00 C ATOM 157 O ALA A 11 5.827 2.811 1.036 1.00 0.00 O ATOM 158 CB ALA A 11 7.092 2.417 4.111 1.00 0.00 C ATOM 0 H ALA A 11 9.277 3.255 3.578 1.00 0.00 H new ATOM 0 HA ALA A 11 7.506 1.391 2.233 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.076 2.028 4.177 1.00 0.00 H new ATOM 0 HB2 ALA A 11 7.758 1.797 4.711 1.00 0.00 H new ATOM 0 HB3 ALA A 11 7.114 3.440 4.485 1.00 0.00 H new ATOM 164 N ALA A 12 6.835 4.590 1.875 1.00 0.00 N ATOM 165 CA ALA A 12 6.014 5.522 1.046 1.00 0.00 C ATOM 166 C ALA A 12 6.306 5.287 -0.440 1.00 0.00 C ATOM 167 O ALA A 12 5.408 5.274 -1.261 1.00 0.00 O ATOM 168 CB ALA A 12 6.443 6.930 1.470 1.00 0.00 C ATOM 0 H ALA A 12 7.514 5.041 2.488 1.00 0.00 H new ATOM 0 HA ALA A 12 4.944 5.373 1.190 1.00 0.00 H new ATOM 0 HB1 ALA A 12 5.879 7.669 0.900 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.247 7.065 2.534 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.508 7.059 1.278 1.00 0.00 H new ATOM 174 N ALA A 13 7.556 5.084 -0.786 1.00 0.00 N ATOM 175 CA ALA A 13 7.907 4.828 -2.216 1.00 0.00 C ATOM 176 C ALA A 13 7.261 3.517 -2.680 1.00 0.00 C ATOM 177 O ALA A 13 6.764 3.420 -3.787 1.00 0.00 O ATOM 178 CB ALA A 13 9.434 4.721 -2.245 1.00 0.00 C ATOM 0 H ALA A 13 8.345 5.085 -0.140 1.00 0.00 H new ATOM 0 HA ALA A 13 7.550 5.616 -2.880 1.00 0.00 H new ATOM 0 HB1 ALA A 13 9.766 4.533 -3.266 1.00 0.00 H new ATOM 0 HB2 ALA A 13 9.871 5.653 -1.887 1.00 0.00 H new ATOM 0 HB3 ALA A 13 9.754 3.901 -1.602 1.00 0.00 H new ATOM 184 N VAL A 14 7.251 2.514 -1.832 1.00 0.00 N ATOM 185 CA VAL A 14 6.622 1.212 -2.211 1.00 0.00 C ATOM 186 C VAL A 14 5.116 1.413 -2.426 1.00 0.00 C ATOM 187 O VAL A 14 4.533 0.864 -3.343 1.00 0.00 O ATOM 188 CB VAL A 14 6.888 0.267 -1.029 1.00 0.00 C ATOM 189 CG1 VAL A 14 6.162 -1.065 -1.254 1.00 0.00 C ATOM 190 CG2 VAL A 14 8.394 0.005 -0.907 1.00 0.00 C ATOM 0 H VAL A 14 7.652 2.543 -0.895 1.00 0.00 H new ATOM 0 HA VAL A 14 7.029 0.806 -3.137 1.00 0.00 H new ATOM 0 HB VAL A 14 6.521 0.731 -0.114 1.00 0.00 H new ATOM 0 HG11 VAL A 14 6.354 -1.731 -0.413 1.00 0.00 H new ATOM 0 HG12 VAL A 14 5.090 -0.886 -1.337 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.525 -1.527 -2.172 1.00 0.00 H new ATOM 0 HG21 VAL A 14 8.580 -0.665 -0.068 1.00 0.00 H new ATOM 0 HG22 VAL A 14 8.759 -0.454 -1.826 1.00 0.00 H new ATOM 0 HG23 VAL A 14 8.915 0.948 -0.740 1.00 0.00 H new ATOM 200 N ALA A 15 4.486 2.211 -1.595 1.00 0.00 N ATOM 201 CA ALA A 15 3.024 2.464 -1.760 1.00 0.00 C ATOM 202 C ALA A 15 2.770 3.189 -3.088 1.00 0.00 C ATOM 203 O ALA A 15 1.818 2.898 -3.792 1.00 0.00 O ATOM 204 CB ALA A 15 2.626 3.348 -0.574 1.00 0.00 C ATOM 0 H ALA A 15 4.923 2.696 -0.812 1.00 0.00 H new ATOM 0 HA ALA A 15 2.444 1.542 -1.780 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.561 3.575 -0.630 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.837 2.823 0.358 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.197 4.276 -0.604 1.00 0.00 H new ATOM 210 N SER A 16 3.625 4.121 -3.443 1.00 0.00 N ATOM 211 CA SER A 16 3.445 4.852 -4.733 1.00 0.00 C ATOM 212 C SER A 16 3.593 3.874 -5.905 1.00 0.00 C ATOM 213 O SER A 16 2.864 3.944 -6.876 1.00 0.00 O ATOM 214 CB SER A 16 4.553 5.907 -4.767 1.00 0.00 C ATOM 215 OG SER A 16 4.076 7.066 -5.441 1.00 0.00 O ATOM 0 H SER A 16 4.437 4.404 -2.894 1.00 0.00 H new ATOM 0 HA SER A 16 2.459 5.310 -4.814 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.860 6.162 -3.753 1.00 0.00 H new ATOM 0 HB3 SER A 16 5.432 5.512 -5.276 1.00 0.00 H new ATOM 0 HG SER A 16 4.782 7.745 -5.464 1.00 0.00 H new ATOM 221 N LYS A 17 4.526 2.954 -5.811 1.00 0.00 N ATOM 222 CA LYS A 17 4.715 1.959 -6.909 1.00 0.00 C ATOM 223 C LYS A 17 3.482 1.048 -7.013 1.00 0.00 C ATOM 224 O LYS A 17 3.131 0.593 -8.085 1.00 0.00 O ATOM 225 CB LYS A 17 5.956 1.150 -6.520 1.00 0.00 C ATOM 226 CG LYS A 17 6.393 0.279 -7.704 1.00 0.00 C ATOM 227 CD LYS A 17 7.862 0.556 -8.031 1.00 0.00 C ATOM 228 CE LYS A 17 7.954 1.673 -9.079 1.00 0.00 C ATOM 229 NZ LYS A 17 8.596 1.044 -10.269 1.00 0.00 N ATOM 0 H LYS A 17 5.163 2.852 -5.021 1.00 0.00 H new ATOM 0 HA LYS A 17 4.840 2.438 -7.880 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.765 1.821 -6.231 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.738 0.523 -5.655 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.256 -0.775 -7.463 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.770 0.491 -8.573 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.398 0.846 -7.127 1.00 0.00 H new ATOM 0 HD3 LYS A 17 8.338 -0.349 -8.407 1.00 0.00 H new ATOM 0 HE2 LYS A 17 6.967 2.064 -9.325 1.00 0.00 H new ATOM 0 HE3 LYS A 17 8.545 2.511 -8.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 8.421 1.631 -11.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 9.621 0.965 -10.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.195 0.096 -10.419 1.00 0.00 H new ATOM 243 N ILE A 18 2.816 0.791 -5.907 1.00 0.00 N ATOM 244 CA ILE A 18 1.600 -0.076 -5.941 1.00 0.00 C ATOM 245 C ILE A 18 0.509 0.598 -6.784 1.00 0.00 C ATOM 246 O ILE A 18 -0.144 -0.040 -7.585 1.00 0.00 O ATOM 247 CB ILE A 18 1.153 -0.213 -4.475 1.00 0.00 C ATOM 248 CG1 ILE A 18 1.961 -1.323 -3.790 1.00 0.00 C ATOM 249 CG2 ILE A 18 -0.340 -0.557 -4.406 1.00 0.00 C ATOM 250 CD1 ILE A 18 1.623 -2.682 -4.419 1.00 0.00 C ATOM 0 H ILE A 18 3.066 1.147 -4.984 1.00 0.00 H new ATOM 0 HA ILE A 18 1.796 -1.051 -6.387 1.00 0.00 H new ATOM 0 HB ILE A 18 1.326 0.735 -3.966 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.028 -1.122 -3.889 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.738 -1.341 -2.723 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.644 -0.651 -3.363 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.918 0.235 -4.882 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.521 -1.499 -4.923 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.201 -3.464 -3.927 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.559 -2.885 -4.296 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.869 -2.663 -5.481 1.00 0.00 H new ATOM 262 N VAL A 19 0.313 1.884 -6.610 1.00 0.00 N ATOM 263 CA VAL A 19 -0.733 2.602 -7.404 1.00 0.00 C ATOM 264 C VAL A 19 -0.324 2.659 -8.882 1.00 0.00 C ATOM 265 O VAL A 19 -1.142 2.485 -9.764 1.00 0.00 O ATOM 266 CB VAL A 19 -0.811 4.014 -6.802 1.00 0.00 C ATOM 267 CG1 VAL A 19 -1.657 4.918 -7.705 1.00 0.00 C ATOM 268 CG2 VAL A 19 -1.455 3.949 -5.413 1.00 0.00 C ATOM 0 H VAL A 19 0.832 2.466 -5.953 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.699 2.099 -7.361 1.00 0.00 H new ATOM 0 HB VAL A 19 0.197 4.420 -6.720 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.709 5.918 -7.273 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.202 4.973 -8.694 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.663 4.507 -7.791 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.509 4.952 -4.989 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.460 3.536 -5.497 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.855 3.312 -4.763 1.00 0.00 H new ATOM 278 N GLY A 20 0.936 2.896 -9.155 1.00 0.00 N ATOM 279 CA GLY A 20 1.404 2.959 -10.573 1.00 0.00 C ATOM 280 C GLY A 20 1.340 1.563 -11.215 1.00 0.00 C ATOM 281 O GLY A 20 1.234 1.436 -12.420 1.00 0.00 O ATOM 0 H GLY A 20 1.661 3.049 -8.454 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.785 3.656 -11.138 1.00 0.00 H new ATOM 0 HA3 GLY A 20 2.425 3.338 -10.610 1.00 0.00 H new ATOM 285 N LEU A 21 1.412 0.517 -10.421 1.00 0.00 N ATOM 286 CA LEU A 21 1.367 -0.866 -10.985 1.00 0.00 C ATOM 287 C LEU A 21 0.116 -1.620 -10.495 1.00 0.00 C ATOM 288 O LEU A 21 0.159 -2.813 -10.247 1.00 0.00 O ATOM 289 CB LEU A 21 2.640 -1.532 -10.457 1.00 0.00 C ATOM 290 CG LEU A 21 3.155 -2.550 -11.477 1.00 0.00 C ATOM 291 CD1 LEU A 21 4.168 -1.876 -12.404 1.00 0.00 C ATOM 292 CD2 LEU A 21 3.833 -3.706 -10.740 1.00 0.00 C ATOM 0 H LEU A 21 1.500 0.566 -9.406 1.00 0.00 H new ATOM 0 HA LEU A 21 1.315 -0.867 -12.074 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.403 -0.778 -10.265 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.435 -2.027 -9.508 1.00 0.00 H new ATOM 0 HG LEU A 21 2.320 -2.930 -12.066 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.535 -2.601 -13.131 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.688 -1.049 -12.927 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.004 -1.497 -11.816 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.201 -4.433 -11.464 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.668 -3.323 -10.153 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.114 -4.186 -10.077 1.00 0.00 H new ATOM 304 N TRP A 22 -0.994 -0.936 -10.351 1.00 0.00 N ATOM 305 CA TRP A 22 -2.239 -1.610 -9.875 1.00 0.00 C ATOM 306 C TRP A 22 -3.206 -1.868 -11.042 1.00 0.00 C ATOM 307 O TRP A 22 -3.416 -1.023 -11.893 1.00 0.00 O ATOM 308 CB TRP A 22 -2.857 -0.631 -8.867 1.00 0.00 C ATOM 309 CG TRP A 22 -4.178 -1.151 -8.385 1.00 0.00 C ATOM 310 CD1 TRP A 22 -4.446 -2.443 -8.080 1.00 0.00 C ATOM 311 CD2 TRP A 22 -5.410 -0.411 -8.145 1.00 0.00 C ATOM 312 NE1 TRP A 22 -5.764 -2.541 -7.676 1.00 0.00 N ATOM 313 CE2 TRP A 22 -6.400 -1.317 -7.697 1.00 0.00 C ATOM 314 CE3 TRP A 22 -5.761 0.944 -8.273 1.00 0.00 C ATOM 315 CZ2 TRP A 22 -7.692 -0.893 -7.387 1.00 0.00 C ATOM 316 CZ3 TRP A 22 -7.061 1.375 -7.962 1.00 0.00 C ATOM 317 CH2 TRP A 22 -8.024 0.458 -7.520 1.00 0.00 C ATOM 0 H TRP A 22 -1.089 0.061 -10.543 1.00 0.00 H new ATOM 0 HA TRP A 22 -2.030 -2.583 -9.430 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -2.182 -0.493 -8.022 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -2.990 0.346 -9.332 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -3.745 -3.262 -8.142 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -6.212 -3.413 -7.396 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -5.026 1.659 -8.613 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -8.431 -1.604 -7.047 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -7.320 2.419 -8.064 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -9.022 0.795 -7.282 1.00 0.00 H new ATOM 328 N ARG A 23 -3.809 -3.030 -11.066 1.00 0.00 N ATOM 329 CA ARG A 23 -4.785 -3.365 -12.145 1.00 0.00 C ATOM 330 C ARG A 23 -6.210 -3.131 -11.621 1.00 0.00 C ATOM 331 O ARG A 23 -6.392 -2.540 -10.573 1.00 0.00 O ATOM 332 CB ARG A 23 -4.532 -4.851 -12.443 1.00 0.00 C ATOM 333 CG ARG A 23 -4.495 -5.075 -13.958 1.00 0.00 C ATOM 334 CD ARG A 23 -3.059 -4.892 -14.462 1.00 0.00 C ATOM 335 NE ARG A 23 -3.063 -5.417 -15.858 1.00 0.00 N ATOM 336 CZ ARG A 23 -2.707 -4.642 -16.848 1.00 0.00 C ATOM 337 NH1 ARG A 23 -1.469 -4.229 -16.941 1.00 0.00 N ATOM 338 NH2 ARG A 23 -3.588 -4.281 -17.743 1.00 0.00 N ATOM 0 H ARG A 23 -3.664 -3.768 -10.376 1.00 0.00 H new ATOM 0 HA ARG A 23 -4.672 -2.756 -13.042 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.589 -5.166 -11.996 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.317 -5.460 -11.995 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.852 -6.077 -14.198 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -5.161 -4.371 -14.458 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.764 -3.843 -14.437 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.351 -5.437 -13.838 1.00 0.00 H new ATOM 0 HE ARG A 23 -3.344 -6.381 -16.040 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -0.783 -4.512 -16.241 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -1.190 -3.624 -17.713 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -4.553 -4.604 -17.668 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -3.311 -3.676 -18.516 1.00 0.00 H new ATOM 352 N ASN A 24 -7.219 -3.581 -12.333 1.00 0.00 N ATOM 353 CA ASN A 24 -8.630 -3.377 -11.859 1.00 0.00 C ATOM 354 C ASN A 24 -8.750 -3.738 -10.369 1.00 0.00 C ATOM 355 O ASN A 24 -9.349 -3.014 -9.595 1.00 0.00 O ATOM 356 CB ASN A 24 -9.486 -4.321 -12.712 1.00 0.00 C ATOM 357 CG ASN A 24 -10.172 -3.528 -13.831 1.00 0.00 C ATOM 358 OD1 ASN A 24 -11.383 -3.505 -13.919 1.00 0.00 O ATOM 359 ND2 ASN A 24 -9.446 -2.873 -14.697 1.00 0.00 N ATOM 0 H ASN A 24 -7.128 -4.079 -13.219 1.00 0.00 H new ATOM 0 HA ASN A 24 -8.949 -2.340 -11.961 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -8.863 -5.106 -13.139 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -10.234 -4.811 -12.089 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -9.896 -2.344 -15.444 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -8.429 -2.890 -14.626 1.00 0.00 H new ATOM 366 N GLU A 25 -8.169 -4.844 -9.965 1.00 0.00 N ATOM 367 CA GLU A 25 -8.227 -5.254 -8.523 1.00 0.00 C ATOM 368 C GLU A 25 -7.085 -6.232 -8.191 1.00 0.00 C ATOM 369 O GLU A 25 -7.251 -7.156 -7.414 1.00 0.00 O ATOM 370 CB GLU A 25 -9.594 -5.932 -8.350 1.00 0.00 C ATOM 371 CG GLU A 25 -9.661 -7.209 -9.198 1.00 0.00 C ATOM 372 CD GLU A 25 -11.035 -7.860 -9.035 1.00 0.00 C ATOM 373 OE1 GLU A 25 -11.181 -8.673 -8.135 1.00 0.00 O ATOM 374 OE2 GLU A 25 -11.920 -7.535 -9.813 1.00 0.00 O ATOM 0 H GLU A 25 -7.656 -5.482 -10.573 1.00 0.00 H new ATOM 0 HA GLU A 25 -8.111 -4.403 -7.852 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.758 -6.175 -7.300 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.388 -5.247 -8.647 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.482 -6.971 -10.247 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.879 -7.904 -8.890 1.00 0.00 H new ATOM 381 N LYS A 26 -5.928 -6.036 -8.776 1.00 0.00 N ATOM 382 CA LYS A 26 -4.778 -6.953 -8.506 1.00 0.00 C ATOM 383 C LYS A 26 -3.446 -6.210 -8.669 1.00 0.00 C ATOM 384 O LYS A 26 -3.336 -5.280 -9.443 1.00 0.00 O ATOM 385 CB LYS A 26 -4.910 -8.051 -9.563 1.00 0.00 C ATOM 386 CG LYS A 26 -3.920 -9.185 -9.264 1.00 0.00 C ATOM 387 CD LYS A 26 -4.673 -10.401 -8.716 1.00 0.00 C ATOM 388 CE LYS A 26 -4.537 -11.574 -9.695 1.00 0.00 C ATOM 389 NZ LYS A 26 -4.414 -12.789 -8.839 1.00 0.00 N ATOM 0 H LYS A 26 -5.731 -5.279 -9.430 1.00 0.00 H new ATOM 0 HA LYS A 26 -4.792 -7.348 -7.490 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.929 -8.439 -9.572 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -4.717 -7.639 -10.554 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.381 -9.458 -10.171 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.177 -8.850 -8.541 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.274 -10.680 -7.741 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -5.725 -10.155 -8.571 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -5.405 -11.641 -10.351 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.663 -11.453 -10.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -4.622 -13.636 -9.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -3.446 -12.853 -8.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -5.088 -12.727 -8.049 1.00 0.00 H new ATOM 403 N THR A 27 -2.433 -6.627 -7.954 1.00 0.00 N ATOM 404 CA THR A 27 -1.098 -5.966 -8.066 1.00 0.00 C ATOM 405 C THR A 27 0.004 -6.970 -7.716 1.00 0.00 C ATOM 406 O THR A 27 -0.270 -8.088 -7.330 1.00 0.00 O ATOM 407 CB THR A 27 -1.133 -4.802 -7.062 1.00 0.00 C ATOM 408 OG1 THR A 27 -0.046 -3.924 -7.321 1.00 0.00 O ATOM 409 CG2 THR A 27 -1.028 -5.332 -5.629 1.00 0.00 C ATOM 0 H THR A 27 -2.474 -7.403 -7.293 1.00 0.00 H new ATOM 0 HA THR A 27 -0.891 -5.607 -9.074 1.00 0.00 H new ATOM 0 HB THR A 27 -2.076 -4.267 -7.173 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.073 -3.638 -8.258 1.00 0.00 H new ATOM 0 HG21 THR A 27 -1.054 -4.497 -4.929 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.864 -6.001 -5.426 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.091 -5.876 -5.510 1.00 0.00 H new ATOM 417 N GLU A 28 1.243 -6.583 -7.850 1.00 0.00 N ATOM 418 CA GLU A 28 2.358 -7.524 -7.521 1.00 0.00 C ATOM 419 C GLU A 28 3.408 -6.824 -6.650 1.00 0.00 C ATOM 420 O GLU A 28 3.914 -5.775 -6.995 1.00 0.00 O ATOM 421 CB GLU A 28 2.955 -7.957 -8.869 1.00 0.00 C ATOM 422 CG GLU A 28 3.186 -6.738 -9.774 1.00 0.00 C ATOM 423 CD GLU A 28 4.198 -7.094 -10.867 1.00 0.00 C ATOM 424 OE1 GLU A 28 5.324 -7.416 -10.521 1.00 0.00 O ATOM 425 OE2 GLU A 28 3.831 -7.038 -12.030 1.00 0.00 O ATOM 0 H GLU A 28 1.534 -5.660 -8.172 1.00 0.00 H new ATOM 0 HA GLU A 28 2.007 -8.386 -6.954 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.898 -8.479 -8.705 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.283 -8.660 -9.361 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.245 -6.423 -10.224 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.553 -5.899 -9.184 1.00 0.00 H new ATOM 432 N LEU A 29 3.738 -7.402 -5.519 1.00 0.00 N ATOM 433 CA LEU A 29 4.754 -6.775 -4.620 1.00 0.00 C ATOM 434 C LEU A 29 6.029 -7.627 -4.586 1.00 0.00 C ATOM 435 O LEU A 29 5.989 -8.804 -4.279 1.00 0.00 O ATOM 436 CB LEU A 29 4.099 -6.730 -3.237 1.00 0.00 C ATOM 437 CG LEU A 29 3.350 -5.405 -3.068 1.00 0.00 C ATOM 438 CD1 LEU A 29 2.150 -5.605 -2.139 1.00 0.00 C ATOM 439 CD2 LEU A 29 4.290 -4.360 -2.462 1.00 0.00 C ATOM 0 H LEU A 29 3.346 -8.281 -5.181 1.00 0.00 H new ATOM 0 HA LEU A 29 5.045 -5.781 -4.961 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.410 -7.567 -3.122 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.857 -6.833 -2.461 1.00 0.00 H new ATOM 0 HG LEU A 29 3.001 -5.063 -4.042 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.620 -4.660 -2.021 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.477 -6.348 -2.568 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.497 -5.950 -1.165 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.757 -3.417 -2.342 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.640 -4.706 -1.489 1.00 0.00 H new ATOM 0 HD23 LEU A 29 5.144 -4.212 -3.123 1.00 0.00 H new ATOM 451 N LEU A 30 7.160 -7.034 -4.901 1.00 0.00 N ATOM 452 CA LEU A 30 8.459 -7.786 -4.898 1.00 0.00 C ATOM 453 C LEU A 30 8.394 -9.012 -5.827 1.00 0.00 C ATOM 454 O LEU A 30 9.057 -10.007 -5.598 1.00 0.00 O ATOM 455 CB LEU A 30 8.673 -8.216 -3.442 1.00 0.00 C ATOM 456 CG LEU A 30 10.146 -8.038 -3.066 1.00 0.00 C ATOM 457 CD1 LEU A 30 10.449 -6.550 -2.881 1.00 0.00 C ATOM 458 CD2 LEU A 30 10.434 -8.783 -1.760 1.00 0.00 C ATOM 0 H LEU A 30 7.238 -6.051 -5.163 1.00 0.00 H new ATOM 0 HA LEU A 30 9.280 -7.171 -5.266 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.044 -7.621 -2.780 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.377 -9.257 -3.312 1.00 0.00 H new ATOM 0 HG LEU A 30 10.774 -8.441 -3.860 1.00 0.00 H new ATOM 0 HD11 LEU A 30 11.498 -6.423 -2.613 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.245 -6.019 -3.811 1.00 0.00 H new ATOM 0 HD13 LEU A 30 9.820 -6.147 -2.087 1.00 0.00 H new ATOM 0 HD21 LEU A 30 11.483 -8.656 -1.492 1.00 0.00 H new ATOM 0 HD22 LEU A 30 9.806 -8.381 -0.965 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.219 -9.843 -1.891 1.00 0.00 H new ATOM 470 N GLY A 31 7.605 -8.948 -6.875 1.00 0.00 N ATOM 471 CA GLY A 31 7.503 -10.107 -7.816 1.00 0.00 C ATOM 472 C GLY A 31 6.418 -11.091 -7.349 1.00 0.00 C ATOM 473 O GLY A 31 6.099 -12.036 -8.046 1.00 0.00 O ATOM 0 H GLY A 31 7.028 -8.143 -7.118 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.269 -9.749 -8.818 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.464 -10.619 -7.876 1.00 0.00 H new ATOM 477 N HIS A 32 5.848 -10.888 -6.183 1.00 0.00 N ATOM 478 CA HIS A 32 4.790 -11.819 -5.688 1.00 0.00 C ATOM 479 C HIS A 32 3.407 -11.327 -6.122 1.00 0.00 C ATOM 480 O HIS A 32 3.220 -10.163 -6.423 1.00 0.00 O ATOM 481 CB HIS A 32 4.908 -11.788 -4.161 1.00 0.00 C ATOM 482 CG HIS A 32 6.294 -12.201 -3.746 1.00 0.00 C ATOM 483 ND1 HIS A 32 7.254 -11.559 -3.008 1.00 0.00 N flip ATOM 484 CD2 HIS A 32 6.845 -13.420 -4.105 1.00 0.00 C flip ATOM 485 CE1 HIS A 32 8.386 -12.361 -2.909 1.00 0.00 C flip ATOM 486 NE2 HIS A 32 8.086 -13.472 -3.588 1.00 0.00 N flip ATOM 0 H HIS A 32 6.072 -10.116 -5.555 1.00 0.00 H new ATOM 0 HA HIS A 32 4.913 -12.826 -6.087 1.00 0.00 H new ATOM 0 HB2 HIS A 32 4.692 -10.786 -3.791 1.00 0.00 H new ATOM 0 HB3 HIS A 32 4.171 -12.458 -3.717 1.00 0.00 H new ATOM 0 HD2 HIS A 32 6.366 -14.189 -4.693 1.00 0.00 H new ATOM 0 HE1 HIS A 32 9.308 -12.135 -2.394 1.00 0.00 H new ATOM 0 HE2 HIS A 32 8.720 -14.263 -3.701 1.00 0.00 H new ATOM 494 N GLU A 33 2.436 -12.204 -6.152 1.00 0.00 N ATOM 495 CA GLU A 33 1.060 -11.787 -6.562 1.00 0.00 C ATOM 496 C GLU A 33 0.307 -11.201 -5.362 1.00 0.00 C ATOM 497 O GLU A 33 0.385 -11.709 -4.258 1.00 0.00 O ATOM 498 CB GLU A 33 0.382 -13.068 -7.055 1.00 0.00 C ATOM 499 CG GLU A 33 -0.328 -12.794 -8.384 1.00 0.00 C ATOM 500 CD GLU A 33 -1.213 -13.988 -8.748 1.00 0.00 C ATOM 501 OE1 GLU A 33 -2.164 -14.238 -8.025 1.00 0.00 O ATOM 502 OE2 GLU A 33 -0.928 -14.630 -9.746 1.00 0.00 O ATOM 0 H GLU A 33 2.536 -13.190 -5.911 1.00 0.00 H new ATOM 0 HA GLU A 33 1.074 -11.017 -7.333 1.00 0.00 H new ATOM 0 HB2 GLU A 33 1.123 -13.858 -7.183 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.335 -13.420 -6.314 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.933 -11.891 -8.305 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.406 -12.619 -9.171 1.00 0.00 H new ATOM 509 N CYS A 34 -0.418 -10.130 -5.570 1.00 0.00 N ATOM 510 CA CYS A 34 -1.173 -9.499 -4.448 1.00 0.00 C ATOM 511 C CYS A 34 -2.532 -8.987 -4.938 1.00 0.00 C ATOM 512 O CYS A 34 -2.788 -8.904 -6.126 1.00 0.00 O ATOM 513 CB CYS A 34 -0.301 -8.328 -3.989 1.00 0.00 C ATOM 514 SG CYS A 34 1.232 -8.956 -3.262 1.00 0.00 S ATOM 0 H CYS A 34 -0.519 -9.665 -6.472 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.370 -10.206 -3.642 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.074 -7.678 -4.834 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.841 -7.725 -3.259 1.00 0.00 H new ATOM 519 N LYS A 35 -3.402 -8.639 -4.026 1.00 0.00 N ATOM 520 CA LYS A 35 -4.744 -8.127 -4.422 1.00 0.00 C ATOM 521 C LYS A 35 -4.989 -6.734 -3.831 1.00 0.00 C ATOM 522 O LYS A 35 -5.110 -6.567 -2.632 1.00 0.00 O ATOM 523 CB LYS A 35 -5.741 -9.133 -3.852 1.00 0.00 C ATOM 524 CG LYS A 35 -7.128 -8.868 -4.445 1.00 0.00 C ATOM 525 CD LYS A 35 -7.366 -9.797 -5.639 1.00 0.00 C ATOM 526 CE LYS A 35 -8.860 -9.815 -5.984 1.00 0.00 C ATOM 527 NZ LYS A 35 -9.477 -10.754 -5.001 1.00 0.00 N ATOM 0 H LYS A 35 -3.238 -8.688 -3.020 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.837 -8.028 -5.504 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.422 -10.149 -4.085 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.776 -9.051 -2.766 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -7.895 -9.030 -3.687 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -7.206 -7.828 -4.760 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -6.788 -9.458 -6.498 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -7.024 -10.805 -5.403 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -9.295 -8.819 -5.903 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -9.024 -10.152 -7.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -9.855 -11.583 -5.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -8.757 -11.062 -4.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -10.249 -10.272 -4.498 1.00 0.00 H new ATOM 541 N PHE A 36 -5.073 -5.740 -4.676 1.00 0.00 N ATOM 542 CA PHE A 36 -5.326 -4.345 -4.203 1.00 0.00 C ATOM 543 C PHE A 36 -6.696 -3.889 -4.728 1.00 0.00 C ATOM 544 O PHE A 36 -6.993 -4.041 -5.897 1.00 0.00 O ATOM 545 CB PHE A 36 -4.179 -3.526 -4.819 1.00 0.00 C ATOM 546 CG PHE A 36 -4.261 -2.060 -4.428 1.00 0.00 C ATOM 547 CD1 PHE A 36 -5.061 -1.640 -3.356 1.00 0.00 C ATOM 548 CD2 PHE A 36 -3.521 -1.115 -5.153 1.00 0.00 C ATOM 549 CE1 PHE A 36 -5.121 -0.285 -3.015 1.00 0.00 C ATOM 550 CE2 PHE A 36 -3.582 0.238 -4.809 1.00 0.00 C ATOM 551 CZ PHE A 36 -4.382 0.653 -3.742 1.00 0.00 C ATOM 0 H PHE A 36 -4.976 -5.836 -5.687 1.00 0.00 H new ATOM 0 HA PHE A 36 -5.350 -4.238 -3.118 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.223 -3.936 -4.493 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.211 -3.615 -5.905 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -5.632 -2.364 -2.793 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.903 -1.434 -5.979 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.739 0.037 -2.190 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.010 0.963 -5.369 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.430 1.699 -3.478 1.00 0.00 H new ATOM 561 N THR A 37 -7.546 -3.362 -3.879 1.00 0.00 N ATOM 562 CA THR A 37 -8.901 -2.935 -4.358 1.00 0.00 C ATOM 563 C THR A 37 -9.346 -1.620 -3.705 1.00 0.00 C ATOM 564 O THR A 37 -8.823 -1.204 -2.686 1.00 0.00 O ATOM 565 CB THR A 37 -9.857 -4.074 -3.960 1.00 0.00 C ATOM 566 OG1 THR A 37 -9.406 -4.698 -2.760 1.00 0.00 O ATOM 567 CG2 THR A 37 -9.922 -5.108 -5.086 1.00 0.00 C ATOM 0 H THR A 37 -7.365 -3.210 -2.887 1.00 0.00 H new ATOM 0 HA THR A 37 -8.893 -2.756 -5.433 1.00 0.00 H new ATOM 0 HB THR A 37 -10.851 -3.659 -3.790 1.00 0.00 H new ATOM 0 HG1 THR A 37 -9.501 -5.670 -2.841 1.00 0.00 H new ATOM 0 HG21 THR A 37 -10.599 -5.913 -4.802 1.00 0.00 H new ATOM 0 HG22 THR A 37 -10.286 -4.632 -5.997 1.00 0.00 H new ATOM 0 HG23 THR A 37 -8.927 -5.516 -5.263 1.00 0.00 H new ATOM 575 N VAL A 38 -10.326 -0.973 -4.296 1.00 0.00 N ATOM 576 CA VAL A 38 -10.848 0.313 -3.742 1.00 0.00 C ATOM 577 C VAL A 38 -12.388 0.284 -3.713 1.00 0.00 C ATOM 578 O VAL A 38 -13.018 -0.396 -4.503 1.00 0.00 O ATOM 579 CB VAL A 38 -10.329 1.400 -4.699 1.00 0.00 C ATOM 580 CG1 VAL A 38 -11.135 1.394 -6.003 1.00 0.00 C ATOM 581 CG2 VAL A 38 -10.457 2.772 -4.033 1.00 0.00 C ATOM 0 H VAL A 38 -10.789 -1.288 -5.148 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.519 0.495 -2.719 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.283 1.195 -4.927 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -10.755 2.169 -6.669 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -11.039 0.421 -6.486 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -12.185 1.588 -5.783 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -10.089 3.542 -4.712 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -11.503 2.966 -3.798 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -9.870 2.787 -3.115 1.00 0.00 H new ATOM 591 N LYS A 39 -12.998 1.016 -2.812 1.00 0.00 N ATOM 592 CA LYS A 39 -14.492 1.028 -2.738 1.00 0.00 C ATOM 593 C LYS A 39 -14.984 2.313 -2.052 1.00 0.00 C ATOM 594 O LYS A 39 -14.924 2.430 -0.842 1.00 0.00 O ATOM 595 CB LYS A 39 -14.866 -0.209 -1.911 1.00 0.00 C ATOM 596 CG LYS A 39 -16.010 -0.958 -2.603 1.00 0.00 C ATOM 597 CD LYS A 39 -16.057 -2.406 -2.105 1.00 0.00 C ATOM 598 CE LYS A 39 -15.208 -3.296 -3.021 1.00 0.00 C ATOM 599 NZ LYS A 39 -15.983 -4.563 -3.172 1.00 0.00 N ATOM 0 H LYS A 39 -12.526 1.605 -2.126 1.00 0.00 H new ATOM 0 HA LYS A 39 -14.951 1.005 -3.726 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -14.001 -0.863 -1.804 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -15.167 0.089 -0.907 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -16.959 -0.462 -2.398 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -15.868 -0.940 -3.684 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -15.685 -2.461 -1.082 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -17.087 -2.762 -2.089 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -15.042 -2.820 -3.987 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -14.227 -3.485 -2.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -15.460 -5.219 -3.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -16.120 -4.999 -2.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -16.909 -4.355 -3.596 1.00 0.00 H new ATOM 613 N PRO A 40 -15.453 3.240 -2.855 1.00 0.00 N ATOM 614 CA PRO A 40 -15.958 4.529 -2.319 1.00 0.00 C ATOM 615 C PRO A 40 -17.365 4.369 -1.731 1.00 0.00 C ATOM 616 O PRO A 40 -18.141 3.538 -2.168 1.00 0.00 O ATOM 617 CB PRO A 40 -15.996 5.436 -3.543 1.00 0.00 C ATOM 618 CG PRO A 40 -16.135 4.513 -4.715 1.00 0.00 C ATOM 619 CD PRO A 40 -15.550 3.179 -4.320 1.00 0.00 C ATOM 0 HA PRO A 40 -15.336 4.919 -1.513 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -16.832 6.133 -3.490 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -15.087 6.033 -3.618 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -17.183 4.404 -4.994 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -15.615 4.917 -5.584 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -16.187 2.355 -4.642 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -14.573 3.023 -4.777 1.00 0.00 H new ATOM 766 N TYR A 48 -16.931 9.433 0.596 1.00 0.00 N ATOM 767 CA TYR A 48 -15.620 8.974 1.144 1.00 0.00 C ATOM 768 C TYR A 48 -15.000 7.894 0.255 1.00 0.00 C ATOM 769 O TYR A 48 -15.692 7.104 -0.356 1.00 0.00 O ATOM 770 CB TYR A 48 -15.943 8.410 2.530 1.00 0.00 C ATOM 771 CG TYR A 48 -15.868 9.520 3.552 1.00 0.00 C ATOM 772 CD1 TYR A 48 -17.001 10.295 3.828 1.00 0.00 C ATOM 773 CD2 TYR A 48 -14.665 9.776 4.221 1.00 0.00 C ATOM 774 CE1 TYR A 48 -16.931 11.327 4.773 1.00 0.00 C ATOM 775 CE2 TYR A 48 -14.594 10.807 5.165 1.00 0.00 C ATOM 776 CZ TYR A 48 -15.727 11.582 5.442 1.00 0.00 C ATOM 777 OH TYR A 48 -15.656 12.599 6.374 1.00 0.00 O ATOM 0 HA TYR A 48 -14.895 9.787 1.189 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -16.938 7.966 2.531 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -15.240 7.617 2.785 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -17.929 10.097 3.312 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -13.791 9.178 4.009 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -17.805 11.925 4.985 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -13.665 11.005 5.680 1.00 0.00 H new ATOM 0 HH TYR A 48 -14.991 12.371 7.056 1.00 0.00 H new ATOM 787 N TYR A 49 -13.693 7.856 0.188 1.00 0.00 N ATOM 788 CA TYR A 49 -13.008 6.830 -0.649 1.00 0.00 C ATOM 789 C TYR A 49 -12.269 5.834 0.249 1.00 0.00 C ATOM 790 O TYR A 49 -11.358 6.193 0.973 1.00 0.00 O ATOM 791 CB TYR A 49 -12.021 7.613 -1.518 1.00 0.00 C ATOM 792 CG TYR A 49 -12.461 7.557 -2.962 1.00 0.00 C ATOM 793 CD1 TYR A 49 -13.628 8.219 -3.366 1.00 0.00 C ATOM 794 CD2 TYR A 49 -11.702 6.843 -3.898 1.00 0.00 C ATOM 795 CE1 TYR A 49 -14.035 8.167 -4.704 1.00 0.00 C ATOM 796 CE2 TYR A 49 -12.110 6.791 -5.236 1.00 0.00 C ATOM 797 CZ TYR A 49 -13.277 7.453 -5.640 1.00 0.00 C ATOM 798 OH TYR A 49 -13.681 7.400 -6.958 1.00 0.00 O ATOM 0 H TYR A 49 -13.070 8.496 0.680 1.00 0.00 H new ATOM 0 HA TYR A 49 -13.707 6.255 -1.256 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -11.969 8.649 -1.183 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -11.020 7.194 -1.416 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -14.214 8.770 -2.645 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -10.802 6.333 -3.587 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -14.934 8.678 -5.015 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -11.525 6.240 -5.958 1.00 0.00 H new ATOM 0 HH TYR A 49 -13.473 8.250 -7.398 1.00 0.00 H new ATOM 808 N LYS A 50 -12.656 4.588 0.203 1.00 0.00 N ATOM 809 CA LYS A 50 -11.984 3.554 1.045 1.00 0.00 C ATOM 810 C LYS A 50 -11.190 2.597 0.154 1.00 0.00 C ATOM 811 O LYS A 50 -11.400 2.533 -1.043 1.00 0.00 O ATOM 812 CB LYS A 50 -13.124 2.816 1.753 1.00 0.00 C ATOM 813 CG LYS A 50 -12.570 1.994 2.924 1.00 0.00 C ATOM 814 CD LYS A 50 -12.679 0.500 2.600 1.00 0.00 C ATOM 815 CE LYS A 50 -12.898 -0.297 3.893 1.00 0.00 C ATOM 816 NZ LYS A 50 -11.532 -0.575 4.431 1.00 0.00 N ATOM 0 H LYS A 50 -13.413 4.239 -0.385 1.00 0.00 H new ATOM 0 HA LYS A 50 -11.281 3.986 1.757 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -13.861 3.532 2.117 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -13.637 2.161 1.049 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -11.530 2.261 3.109 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -13.124 2.220 3.835 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -13.506 0.327 1.911 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -11.772 0.159 2.101 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -13.492 0.272 4.608 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -13.437 -1.223 3.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.328 -1.592 4.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.828 -0.037 3.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -11.488 -0.290 5.430 1.00 0.00 H new ATOM 830 N GLY A 51 -10.279 1.856 0.726 1.00 0.00 N ATOM 831 CA GLY A 51 -9.475 0.907 -0.092 1.00 0.00 C ATOM 832 C GLY A 51 -8.766 -0.102 0.811 1.00 0.00 C ATOM 833 O GLY A 51 -8.543 0.144 1.982 1.00 0.00 O ATOM 0 H GLY A 51 -10.058 1.868 1.722 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.122 0.384 -0.796 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.741 1.456 -0.682 1.00 0.00 H new ATOM 837 N ARG A 52 -8.410 -1.238 0.267 1.00 0.00 N ATOM 838 CA ARG A 52 -7.710 -2.282 1.070 1.00 0.00 C ATOM 839 C ARG A 52 -6.858 -3.163 0.149 1.00 0.00 C ATOM 840 O ARG A 52 -7.261 -3.490 -0.952 1.00 0.00 O ATOM 841 CB ARG A 52 -8.828 -3.105 1.720 1.00 0.00 C ATOM 842 CG ARG A 52 -8.219 -4.253 2.533 1.00 0.00 C ATOM 843 CD ARG A 52 -8.800 -4.245 3.949 1.00 0.00 C ATOM 844 NE ARG A 52 -9.968 -5.170 3.899 1.00 0.00 N ATOM 845 CZ ARG A 52 -10.196 -5.985 4.892 1.00 0.00 C ATOM 846 NH1 ARG A 52 -10.609 -5.513 6.040 1.00 0.00 N ATOM 847 NH2 ARG A 52 -10.008 -7.269 4.737 1.00 0.00 N ATOM 0 H ARG A 52 -8.577 -1.487 -0.708 1.00 0.00 H new ATOM 0 HA ARG A 52 -7.040 -1.853 1.815 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -9.432 -2.469 2.367 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -9.493 -3.502 0.953 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -8.429 -5.206 2.048 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -7.135 -4.148 2.573 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -8.063 -4.581 4.679 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -9.105 -3.241 4.243 1.00 0.00 H new ATOM 0 HE ARG A 52 -10.588 -5.166 3.089 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -10.752 -4.510 6.157 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -10.788 -6.148 6.818 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -9.684 -7.632 3.841 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -10.186 -7.908 5.512 1.00 0.00 H new ATOM 861 N MET A 53 -5.685 -3.551 0.589 1.00 0.00 N ATOM 862 CA MET A 53 -4.820 -4.413 -0.268 1.00 0.00 C ATOM 863 C MET A 53 -4.070 -5.448 0.578 1.00 0.00 C ATOM 864 O MET A 53 -3.733 -5.214 1.726 1.00 0.00 O ATOM 865 CB MET A 53 -3.849 -3.454 -0.971 1.00 0.00 C ATOM 866 CG MET A 53 -2.719 -3.028 -0.026 1.00 0.00 C ATOM 867 SD MET A 53 -1.212 -3.940 -0.446 1.00 0.00 S ATOM 868 CE MET A 53 -0.874 -3.121 -2.024 1.00 0.00 C ATOM 0 H MET A 53 -5.293 -3.308 1.499 1.00 0.00 H new ATOM 0 HA MET A 53 -5.405 -4.982 -0.990 1.00 0.00 H new ATOM 0 HB2 MET A 53 -3.428 -3.938 -1.852 1.00 0.00 H new ATOM 0 HB3 MET A 53 -4.389 -2.573 -1.318 1.00 0.00 H new ATOM 0 HG2 MET A 53 -2.544 -1.955 -0.110 1.00 0.00 H new ATOM 0 HG3 MET A 53 -3.001 -3.225 1.008 1.00 0.00 H new ATOM 0 HE1 MET A 53 -0.928 -3.851 -2.832 1.00 0.00 H new ATOM 0 HE2 MET A 53 -1.613 -2.337 -2.193 1.00 0.00 H new ATOM 0 HE3 MET A 53 0.123 -2.681 -1.999 1.00 0.00 H new ATOM 878 N TRP A 54 -3.810 -6.592 0.003 1.00 0.00 N ATOM 879 CA TRP A 54 -3.081 -7.671 0.739 1.00 0.00 C ATOM 880 C TRP A 54 -2.380 -8.598 -0.257 1.00 0.00 C ATOM 881 O TRP A 54 -2.586 -8.500 -1.449 1.00 0.00 O ATOM 882 CB TRP A 54 -4.152 -8.431 1.538 1.00 0.00 C ATOM 883 CG TRP A 54 -5.232 -8.935 0.625 1.00 0.00 C ATOM 884 CD1 TRP A 54 -5.247 -10.151 0.029 1.00 0.00 C ATOM 885 CD2 TRP A 54 -6.447 -8.254 0.196 1.00 0.00 C ATOM 886 NE1 TRP A 54 -6.398 -10.261 -0.732 1.00 0.00 N ATOM 887 CE2 TRP A 54 -7.168 -9.116 -0.664 1.00 0.00 C ATOM 888 CE3 TRP A 54 -6.988 -6.985 0.468 1.00 0.00 C ATOM 889 CZ2 TRP A 54 -8.382 -8.732 -1.233 1.00 0.00 C ATOM 890 CZ3 TRP A 54 -8.209 -6.595 -0.104 1.00 0.00 C ATOM 891 CH2 TRP A 54 -8.905 -7.466 -0.953 1.00 0.00 C ATOM 0 H TRP A 54 -4.073 -6.829 -0.954 1.00 0.00 H new ATOM 0 HA TRP A 54 -2.312 -7.270 1.399 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -3.694 -9.268 2.066 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -4.584 -7.775 2.294 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.486 -10.910 0.131 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -6.647 -11.087 -1.277 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -6.461 -6.306 1.121 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -8.915 -9.408 -1.886 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -8.615 -5.618 0.112 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -9.844 -7.160 -1.390 1.00 0.00 H new ATOM 902 N CYS A 55 -1.551 -9.492 0.214 1.00 0.00 N ATOM 903 CA CYS A 55 -0.843 -10.410 -0.725 1.00 0.00 C ATOM 904 C CYS A 55 -1.156 -11.874 -0.395 1.00 0.00 C ATOM 905 O CYS A 55 -0.467 -12.493 0.395 1.00 0.00 O ATOM 906 CB CYS A 55 0.644 -10.115 -0.531 1.00 0.00 C ATOM 907 SG CYS A 55 1.055 -8.528 -1.297 1.00 0.00 S ATOM 0 H CYS A 55 -1.335 -9.626 1.202 1.00 0.00 H new ATOM 0 HA CYS A 55 -1.156 -10.254 -1.758 1.00 0.00 H new ATOM 0 HB2 CYS A 55 0.884 -10.090 0.532 1.00 0.00 H new ATOM 0 HB3 CYS A 55 1.243 -10.910 -0.975 1.00 0.00 H new ATOM 912 N PRO A 56 -2.189 -12.386 -1.026 1.00 0.00 N ATOM 913 CA PRO A 56 -2.591 -13.797 -0.811 1.00 0.00 C ATOM 914 C PRO A 56 -1.644 -14.733 -1.577 1.00 0.00 C ATOM 915 O PRO A 56 -1.921 -15.148 -2.689 1.00 0.00 O ATOM 916 CB PRO A 56 -4.011 -13.855 -1.370 1.00 0.00 C ATOM 917 CG PRO A 56 -4.091 -12.744 -2.371 1.00 0.00 C ATOM 918 CD PRO A 56 -3.071 -11.702 -1.983 1.00 0.00 C ATOM 0 HA PRO A 56 -2.547 -14.111 0.232 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -4.210 -14.820 -1.837 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -4.750 -13.725 -0.579 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -3.892 -13.119 -3.375 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -5.092 -12.313 -2.385 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -2.515 -11.348 -2.851 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.546 -10.831 -1.532 1.00 0.00 H new ATOM 926 N GLY A 57 -0.520 -15.053 -0.985 1.00 0.00 N ATOM 927 CA GLY A 57 0.469 -15.946 -1.655 1.00 0.00 C ATOM 928 C GLY A 57 1.862 -15.689 -1.070 1.00 0.00 C ATOM 929 O GLY A 57 2.577 -16.610 -0.723 1.00 0.00 O ATOM 0 H GLY A 57 -0.245 -14.729 -0.058 1.00 0.00 H new ATOM 0 HA2 GLY A 57 0.189 -16.990 -1.512 1.00 0.00 H new ATOM 0 HA3 GLY A 57 0.473 -15.761 -2.729 1.00 0.00 H new ATOM 933 N TRP A 58 2.246 -14.439 -0.951 1.00 0.00 N ATOM 934 CA TRP A 58 3.587 -14.108 -0.380 1.00 0.00 C ATOM 935 C TRP A 58 3.588 -14.346 1.134 1.00 0.00 C ATOM 936 O TRP A 58 4.424 -15.057 1.658 1.00 0.00 O ATOM 937 CB TRP A 58 3.803 -12.621 -0.692 1.00 0.00 C ATOM 938 CG TRP A 58 5.211 -12.216 -0.362 1.00 0.00 C ATOM 939 CD1 TRP A 58 6.233 -13.066 -0.098 1.00 0.00 C ATOM 940 CD2 TRP A 58 5.764 -10.871 -0.257 1.00 0.00 C ATOM 941 NE1 TRP A 58 7.373 -12.329 0.163 1.00 0.00 N ATOM 942 CE2 TRP A 58 7.136 -10.971 0.077 1.00 0.00 C ATOM 943 CE3 TRP A 58 5.214 -9.586 -0.417 1.00 0.00 C ATOM 944 CZ2 TRP A 58 7.933 -9.838 0.245 1.00 0.00 C ATOM 945 CZ3 TRP A 58 6.014 -8.443 -0.248 1.00 0.00 C ATOM 946 CH2 TRP A 58 7.370 -8.570 0.082 1.00 0.00 C ATOM 0 H TRP A 58 1.685 -13.633 -1.226 1.00 0.00 H new ATOM 0 HA TRP A 58 4.378 -14.728 -0.801 1.00 0.00 H new ATOM 0 HB2 TRP A 58 3.601 -12.431 -1.746 1.00 0.00 H new ATOM 0 HB3 TRP A 58 3.100 -12.017 -0.119 1.00 0.00 H new ATOM 0 HD1 TRP A 58 6.167 -14.144 -0.092 1.00 0.00 H new ATOM 0 HE1 TRP A 58 8.279 -12.738 0.391 1.00 0.00 H new ATOM 0 HE3 TRP A 58 4.170 -9.477 -0.671 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 8.978 -9.941 0.499 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 5.581 -7.461 -0.373 1.00 0.00 H new ATOM 0 HH2 TRP A 58 7.980 -7.688 0.210 1.00 0.00 H new ATOM 957 N THR A 59 2.654 -13.754 1.837 1.00 0.00 N ATOM 958 CA THR A 59 2.588 -13.937 3.316 1.00 0.00 C ATOM 959 C THR A 59 1.139 -13.761 3.803 1.00 0.00 C ATOM 960 O THR A 59 0.202 -13.856 3.032 1.00 0.00 O ATOM 961 CB THR A 59 3.513 -12.853 3.897 1.00 0.00 C ATOM 962 OG1 THR A 59 3.600 -13.010 5.307 1.00 0.00 O ATOM 963 CG2 THR A 59 2.963 -11.461 3.569 1.00 0.00 C ATOM 0 H THR A 59 1.932 -13.149 1.446 1.00 0.00 H new ATOM 0 HA THR A 59 2.901 -14.932 3.631 1.00 0.00 H new ATOM 0 HB THR A 59 4.504 -12.956 3.455 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.278 -12.196 5.747 1.00 0.00 H new ATOM 0 HG21 THR A 59 3.625 -10.701 3.985 1.00 0.00 H new ATOM 0 HG22 THR A 59 2.904 -11.339 2.487 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.968 -11.352 4.001 1.00 0.00 H new ATOM 971 N ALA A 60 0.951 -13.509 5.073 1.00 0.00 N ATOM 972 CA ALA A 60 -0.430 -13.330 5.615 1.00 0.00 C ATOM 973 C ALA A 60 -0.564 -11.958 6.293 1.00 0.00 C ATOM 974 O ALA A 60 -0.696 -11.859 7.499 1.00 0.00 O ATOM 975 CB ALA A 60 -0.605 -14.462 6.632 1.00 0.00 C ATOM 0 H ALA A 60 1.698 -13.419 5.761 1.00 0.00 H new ATOM 0 HA ALA A 60 -1.190 -13.366 4.834 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -1.598 -14.401 7.077 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -0.491 -15.423 6.130 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.149 -14.369 7.413 1.00 0.00 H new ATOM 981 N ILE A 61 -0.532 -10.900 5.521 1.00 0.00 N ATOM 982 CA ILE A 61 -0.657 -9.530 6.106 1.00 0.00 C ATOM 983 C ILE A 61 -1.559 -8.659 5.220 1.00 0.00 C ATOM 984 O ILE A 61 -1.707 -8.908 4.037 1.00 0.00 O ATOM 985 CB ILE A 61 0.777 -8.978 6.142 1.00 0.00 C ATOM 986 CG1 ILE A 61 1.555 -9.661 7.274 1.00 0.00 C ATOM 987 CG2 ILE A 61 0.749 -7.464 6.385 1.00 0.00 C ATOM 988 CD1 ILE A 61 2.998 -9.151 7.292 1.00 0.00 C ATOM 0 H ILE A 61 -0.424 -10.927 4.507 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.108 -9.541 7.098 1.00 0.00 H new ATOM 0 HB ILE A 61 1.263 -9.178 5.187 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.076 -9.457 8.232 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.543 -10.742 7.135 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.769 -7.080 6.409 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.197 -6.977 5.581 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.261 -7.257 7.338 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.546 -9.639 8.098 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.476 -9.377 6.339 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.001 -8.073 7.452 1.00 0.00 H new ATOM 1000 N ARG A 62 -2.162 -7.641 5.786 1.00 0.00 N ATOM 1001 CA ARG A 62 -3.052 -6.750 4.983 1.00 0.00 C ATOM 1002 C ARG A 62 -2.872 -5.285 5.393 1.00 0.00 C ATOM 1003 O ARG A 62 -2.298 -4.976 6.420 1.00 0.00 O ATOM 1004 CB ARG A 62 -4.486 -7.210 5.273 1.00 0.00 C ATOM 1005 CG ARG A 62 -4.671 -7.488 6.770 1.00 0.00 C ATOM 1006 CD ARG A 62 -6.061 -8.085 7.010 1.00 0.00 C ATOM 1007 NE ARG A 62 -5.819 -9.533 7.271 1.00 0.00 N ATOM 1008 CZ ARG A 62 -5.851 -10.392 6.287 1.00 0.00 C ATOM 1009 NH1 ARG A 62 -6.997 -10.870 5.879 1.00 0.00 N ATOM 1010 NH2 ARG A 62 -4.739 -10.765 5.709 1.00 0.00 N ATOM 0 H ARG A 62 -2.075 -7.390 6.771 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.815 -6.814 3.921 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.192 -6.445 4.950 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.708 -8.110 4.700 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -3.902 -8.176 7.121 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.556 -6.565 7.339 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -6.554 -7.608 7.857 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.707 -7.943 6.143 1.00 0.00 H new ATOM 0 HE ARG A 62 -5.628 -9.854 8.220 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -7.863 -10.572 6.328 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -7.025 -11.541 5.111 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -3.847 -10.385 6.026 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -4.764 -11.436 4.941 1.00 0.00 H new ATOM 1024 N GLY A 63 -3.372 -4.387 4.590 1.00 0.00 N ATOM 1025 CA GLY A 63 -3.254 -2.935 4.909 1.00 0.00 C ATOM 1026 C GLY A 63 -4.315 -2.165 4.131 1.00 0.00 C ATOM 1027 O GLY A 63 -4.447 -2.317 2.930 1.00 0.00 O ATOM 0 H GLY A 63 -3.861 -4.598 3.720 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.382 -2.774 5.979 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.260 -2.572 4.648 1.00 0.00 H new ATOM 1031 N GLU A 64 -5.075 -1.345 4.804 1.00 0.00 N ATOM 1032 CA GLU A 64 -6.140 -0.569 4.108 1.00 0.00 C ATOM 1033 C GLU A 64 -6.177 0.877 4.608 1.00 0.00 C ATOM 1034 O GLU A 64 -5.602 1.209 5.629 1.00 0.00 O ATOM 1035 CB GLU A 64 -7.446 -1.298 4.443 1.00 0.00 C ATOM 1036 CG GLU A 64 -7.609 -1.438 5.963 1.00 0.00 C ATOM 1037 CD GLU A 64 -9.096 -1.391 6.326 1.00 0.00 C ATOM 1038 OE1 GLU A 64 -9.720 -2.441 6.338 1.00 0.00 O ATOM 1039 OE2 GLU A 64 -9.588 -0.305 6.581 1.00 0.00 O ATOM 0 H GLU A 64 -5.004 -1.179 5.808 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.968 -0.514 3.033 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -8.292 -0.749 4.030 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.448 -2.284 3.979 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.171 -2.377 6.301 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.074 -0.636 6.472 1.00 0.00 H new ATOM 1046 N ALA A 65 -6.851 1.737 3.887 1.00 0.00 N ATOM 1047 CA ALA A 65 -6.934 3.168 4.304 1.00 0.00 C ATOM 1048 C ALA A 65 -8.150 3.848 3.663 1.00 0.00 C ATOM 1049 O ALA A 65 -8.698 3.371 2.685 1.00 0.00 O ATOM 1050 CB ALA A 65 -5.638 3.799 3.796 1.00 0.00 C ATOM 0 H ALA A 65 -7.348 1.508 3.026 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.050 3.275 5.383 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.619 4.856 4.062 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -4.785 3.295 4.251 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -5.584 3.697 2.712 1.00 0.00 H new ATOM 1056 N SER A 66 -8.575 4.961 4.211 1.00 0.00 N ATOM 1057 CA SER A 66 -9.755 5.683 3.641 1.00 0.00 C ATOM 1058 C SER A 66 -9.552 7.199 3.746 1.00 0.00 C ATOM 1059 O SER A 66 -8.874 7.682 4.634 1.00 0.00 O ATOM 1060 CB SER A 66 -10.955 5.255 4.490 1.00 0.00 C ATOM 1061 OG SER A 66 -10.948 3.842 4.658 1.00 0.00 O ATOM 0 H SER A 66 -8.155 5.401 5.030 1.00 0.00 H new ATOM 0 HA SER A 66 -9.899 5.445 2.587 1.00 0.00 H new ATOM 0 HB2 SER A 66 -10.918 5.746 5.462 1.00 0.00 H new ATOM 0 HB3 SER A 66 -11.882 5.569 4.010 1.00 0.00 H new ATOM 0 HG SER A 66 -11.717 3.574 5.203 1.00 0.00 H new ATOM 1067 N THR A 67 -10.142 7.947 2.848 1.00 0.00 N ATOM 1068 CA THR A 67 -10.000 9.439 2.878 1.00 0.00 C ATOM 1069 C THR A 67 -10.895 10.078 1.803 1.00 0.00 C ATOM 1070 O THR A 67 -11.624 9.399 1.105 1.00 0.00 O ATOM 1071 CB THR A 67 -8.512 9.712 2.592 1.00 0.00 C ATOM 1072 OG1 THR A 67 -8.260 11.109 2.676 1.00 0.00 O ATOM 1073 CG2 THR A 67 -8.140 9.208 1.194 1.00 0.00 C ATOM 0 H THR A 67 -10.721 7.587 2.089 1.00 0.00 H new ATOM 0 HA THR A 67 -10.306 9.864 3.834 1.00 0.00 H new ATOM 0 HB THR A 67 -7.908 9.185 3.331 1.00 0.00 H new ATOM 0 HG1 THR A 67 -7.926 11.434 1.814 1.00 0.00 H new ATOM 0 HG21 THR A 67 -7.085 9.407 1.004 1.00 0.00 H new ATOM 0 HG22 THR A 67 -8.323 8.135 1.133 1.00 0.00 H new ATOM 0 HG23 THR A 67 -8.746 9.723 0.448 1.00 0.00 H new ATOM 1081 N ARG A 68 -10.842 11.379 1.666 1.00 0.00 N ATOM 1082 CA ARG A 68 -11.681 12.064 0.633 1.00 0.00 C ATOM 1083 C ARG A 68 -10.988 12.002 -0.737 1.00 0.00 C ATOM 1084 O ARG A 68 -11.634 11.939 -1.766 1.00 0.00 O ATOM 1085 CB ARG A 68 -11.811 13.512 1.113 1.00 0.00 C ATOM 1086 CG ARG A 68 -12.990 13.625 2.086 1.00 0.00 C ATOM 1087 CD ARG A 68 -12.539 14.345 3.363 1.00 0.00 C ATOM 1088 NE ARG A 68 -12.151 13.260 4.313 1.00 0.00 N ATOM 1089 CZ ARG A 68 -11.718 13.566 5.507 1.00 0.00 C ATOM 1090 NH1 ARG A 68 -12.563 13.685 6.497 1.00 0.00 N ATOM 1091 NH2 ARG A 68 -10.439 13.751 5.709 1.00 0.00 N ATOM 0 H ARG A 68 -10.254 11.998 2.225 1.00 0.00 H new ATOM 0 HA ARG A 68 -12.657 11.593 0.515 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -10.890 13.828 1.603 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -11.963 14.176 0.262 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -13.809 14.172 1.618 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -13.368 12.633 2.331 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -11.700 15.011 3.163 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -13.342 14.958 3.773 1.00 0.00 H new ATOM 0 HE ARG A 68 -12.224 12.283 4.030 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -13.560 13.539 6.337 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -12.226 13.924 7.430 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -9.782 13.656 4.935 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -10.099 13.990 6.641 1.00 0.00 H new ATOM 1105 N SER A 69 -9.676 12.010 -0.754 1.00 0.00 N ATOM 1106 CA SER A 69 -8.933 11.941 -2.052 1.00 0.00 C ATOM 1107 C SER A 69 -9.149 10.575 -2.719 1.00 0.00 C ATOM 1108 O SER A 69 -9.291 9.563 -2.057 1.00 0.00 O ATOM 1109 CB SER A 69 -7.449 12.136 -1.700 1.00 0.00 C ATOM 1110 OG SER A 69 -7.236 11.894 -0.311 1.00 0.00 O ATOM 0 H SER A 69 -9.087 12.061 0.077 1.00 0.00 H new ATOM 0 HA SER A 69 -9.281 12.700 -2.753 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.835 11.458 -2.293 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.138 13.150 -1.952 1.00 0.00 H new ATOM 0 HG SER A 69 -6.288 12.020 -0.099 1.00 0.00 H new ATOM 1116 N GLN A 70 -9.175 10.546 -4.028 1.00 0.00 N ATOM 1117 CA GLN A 70 -9.384 9.254 -4.757 1.00 0.00 C ATOM 1118 C GLN A 70 -8.056 8.501 -4.897 1.00 0.00 C ATOM 1119 O GLN A 70 -7.936 7.356 -4.505 1.00 0.00 O ATOM 1120 CB GLN A 70 -9.922 9.647 -6.138 1.00 0.00 C ATOM 1121 CG GLN A 70 -11.274 10.352 -5.992 1.00 0.00 C ATOM 1122 CD GLN A 70 -11.775 10.787 -7.372 1.00 0.00 C ATOM 1123 OE1 GLN A 70 -12.785 10.304 -7.842 1.00 0.00 O ATOM 1124 NE2 GLN A 70 -11.108 11.685 -8.045 1.00 0.00 N ATOM 0 H GLN A 70 -9.060 11.364 -4.627 1.00 0.00 H new ATOM 0 HA GLN A 70 -10.071 8.595 -4.226 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -9.212 10.304 -6.640 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -10.031 8.759 -6.761 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -11.997 9.683 -5.525 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -11.175 11.219 -5.339 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -10.259 12.091 -7.651 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -11.435 11.980 -8.965 1.00 0.00 H new ATOM 1133 N SER A 71 -7.058 9.141 -5.453 1.00 0.00 N ATOM 1134 CA SER A 71 -5.730 8.475 -5.623 1.00 0.00 C ATOM 1135 C SER A 71 -4.996 8.404 -4.278 1.00 0.00 C ATOM 1136 O SER A 71 -4.231 7.491 -4.029 1.00 0.00 O ATOM 1137 CB SER A 71 -4.956 9.357 -6.608 1.00 0.00 C ATOM 1138 OG SER A 71 -5.834 9.816 -7.632 1.00 0.00 O ATOM 0 H SER A 71 -7.106 10.100 -5.798 1.00 0.00 H new ATOM 0 HA SER A 71 -5.830 7.453 -5.988 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.517 10.206 -6.084 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.133 8.793 -7.047 1.00 0.00 H new ATOM 0 HG SER A 71 -5.337 10.381 -8.260 1.00 0.00 H new ATOM 1144 N GLY A 72 -5.225 9.364 -3.412 1.00 0.00 N ATOM 1145 CA GLY A 72 -4.548 9.366 -2.079 1.00 0.00 C ATOM 1146 C GLY A 72 -4.890 8.085 -1.311 1.00 0.00 C ATOM 1147 O GLY A 72 -4.042 7.509 -0.656 1.00 0.00 O ATOM 0 H GLY A 72 -5.855 10.149 -3.574 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.469 9.443 -2.211 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -4.862 10.238 -1.505 1.00 0.00 H new ATOM 1151 N VAL A 73 -6.121 7.629 -1.386 1.00 0.00 N ATOM 1152 CA VAL A 73 -6.499 6.377 -0.656 1.00 0.00 C ATOM 1153 C VAL A 73 -5.710 5.179 -1.201 1.00 0.00 C ATOM 1154 O VAL A 73 -5.362 4.274 -0.464 1.00 0.00 O ATOM 1155 CB VAL A 73 -8.012 6.196 -0.878 1.00 0.00 C ATOM 1156 CG1 VAL A 73 -8.285 5.398 -2.159 1.00 0.00 C ATOM 1157 CG2 VAL A 73 -8.603 5.442 0.316 1.00 0.00 C ATOM 0 H VAL A 73 -6.874 8.067 -1.917 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.266 6.444 0.407 1.00 0.00 H new ATOM 0 HB VAL A 73 -8.472 7.179 -0.976 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -9.361 5.283 -2.294 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -7.866 5.928 -3.014 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -7.822 4.414 -2.080 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -9.675 5.309 0.168 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -8.125 4.466 0.403 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -8.431 6.013 1.228 1.00 0.00 H new ATOM 1167 N ALA A 74 -5.422 5.170 -2.484 1.00 0.00 N ATOM 1168 CA ALA A 74 -4.652 4.033 -3.073 1.00 0.00 C ATOM 1169 C ALA A 74 -3.242 3.998 -2.481 1.00 0.00 C ATOM 1170 O ALA A 74 -2.769 2.963 -2.052 1.00 0.00 O ATOM 1171 CB ALA A 74 -4.605 4.304 -4.579 1.00 0.00 C ATOM 0 H ALA A 74 -5.688 5.901 -3.144 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.113 3.069 -2.860 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.053 3.506 -5.075 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.620 4.343 -4.974 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -4.108 5.257 -4.762 1.00 0.00 H new ATOM 1177 N GLY A 75 -2.576 5.126 -2.434 1.00 0.00 N ATOM 1178 CA GLY A 75 -1.207 5.165 -1.845 1.00 0.00 C ATOM 1179 C GLY A 75 -1.312 4.901 -0.341 1.00 0.00 C ATOM 1180 O GLY A 75 -0.431 4.316 0.259 1.00 0.00 O ATOM 0 H GLY A 75 -2.924 6.020 -2.779 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.571 4.416 -2.317 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.745 6.135 -2.027 1.00 0.00 H new ATOM 1184 N LYS A 76 -2.394 5.325 0.268 1.00 0.00 N ATOM 1185 CA LYS A 76 -2.583 5.100 1.729 1.00 0.00 C ATOM 1186 C LYS A 76 -2.813 3.608 2.011 1.00 0.00 C ATOM 1187 O LYS A 76 -2.284 3.069 2.964 1.00 0.00 O ATOM 1188 CB LYS A 76 -3.821 5.929 2.097 1.00 0.00 C ATOM 1189 CG LYS A 76 -3.825 6.227 3.598 1.00 0.00 C ATOM 1190 CD LYS A 76 -2.760 7.279 3.923 1.00 0.00 C ATOM 1191 CE LYS A 76 -2.234 7.049 5.344 1.00 0.00 C ATOM 1192 NZ LYS A 76 -1.293 5.894 5.235 1.00 0.00 N ATOM 0 H LYS A 76 -3.158 5.821 -0.192 1.00 0.00 H new ATOM 0 HA LYS A 76 -1.712 5.394 2.314 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -3.825 6.862 1.533 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -4.726 5.387 1.823 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -4.808 6.585 3.904 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -3.630 5.313 4.160 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -1.941 7.217 3.206 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -3.184 8.280 3.838 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -1.726 7.936 5.723 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -3.049 6.829 6.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.539 5.992 5.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.811 5.007 5.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.873 5.877 4.284 1.00 0.00 H new ATOM 1206 N THR A 77 -3.584 2.938 1.185 1.00 0.00 N ATOM 1207 CA THR A 77 -3.836 1.478 1.399 1.00 0.00 C ATOM 1208 C THR A 77 -2.529 0.692 1.232 1.00 0.00 C ATOM 1209 O THR A 77 -2.241 -0.217 1.988 1.00 0.00 O ATOM 1210 CB THR A 77 -4.857 1.088 0.318 1.00 0.00 C ATOM 1211 OG1 THR A 77 -6.140 1.583 0.676 1.00 0.00 O ATOM 1212 CG2 THR A 77 -4.923 -0.435 0.182 1.00 0.00 C ATOM 0 H THR A 77 -4.049 3.341 0.372 1.00 0.00 H new ATOM 0 HA THR A 77 -4.209 1.259 2.399 1.00 0.00 H new ATOM 0 HB THR A 77 -4.547 1.520 -0.634 1.00 0.00 H new ATOM 0 HG1 THR A 77 -6.217 2.520 0.401 1.00 0.00 H new ATOM 0 HG21 THR A 77 -5.649 -0.701 -0.586 1.00 0.00 H new ATOM 0 HG22 THR A 77 -3.942 -0.818 -0.098 1.00 0.00 H new ATOM 0 HG23 THR A 77 -5.225 -0.873 1.134 1.00 0.00 H new ATOM 1220 N ALA A 78 -1.732 1.045 0.254 1.00 0.00 N ATOM 1221 CA ALA A 78 -0.439 0.329 0.043 1.00 0.00 C ATOM 1222 C ALA A 78 0.543 0.670 1.171 1.00 0.00 C ATOM 1223 O ALA A 78 1.327 -0.160 1.593 1.00 0.00 O ATOM 1224 CB ALA A 78 0.083 0.836 -1.303 1.00 0.00 C ATOM 0 H ALA A 78 -1.922 1.798 -0.407 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.560 -0.754 0.046 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.034 0.354 -1.529 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.638 0.600 -2.085 1.00 0.00 H new ATOM 0 HB3 ALA A 78 0.226 1.916 -1.255 1.00 0.00 H new ATOM 1230 N LYS A 79 0.495 1.883 1.665 1.00 0.00 N ATOM 1231 CA LYS A 79 1.412 2.285 2.771 1.00 0.00 C ATOM 1232 C LYS A 79 1.062 1.524 4.052 1.00 0.00 C ATOM 1233 O LYS A 79 1.936 1.105 4.787 1.00 0.00 O ATOM 1234 CB LYS A 79 1.174 3.785 2.956 1.00 0.00 C ATOM 1235 CG LYS A 79 2.357 4.413 3.698 1.00 0.00 C ATOM 1236 CD LYS A 79 2.386 5.921 3.432 1.00 0.00 C ATOM 1237 CE LYS A 79 2.854 6.181 1.995 1.00 0.00 C ATOM 1238 NZ LYS A 79 1.648 6.680 1.271 1.00 0.00 N ATOM 0 H LYS A 79 -0.143 2.613 1.347 1.00 0.00 H new ATOM 0 HA LYS A 79 2.455 2.062 2.545 1.00 0.00 H new ATOM 0 HB2 LYS A 79 1.047 4.264 1.985 1.00 0.00 H new ATOM 0 HB3 LYS A 79 0.253 3.950 3.516 1.00 0.00 H new ATOM 0 HG2 LYS A 79 2.271 4.224 4.768 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.290 3.957 3.368 1.00 0.00 H new ATOM 0 HD2 LYS A 79 1.394 6.347 3.585 1.00 0.00 H new ATOM 0 HD3 LYS A 79 3.056 6.412 4.138 1.00 0.00 H new ATOM 0 HE2 LYS A 79 3.659 6.915 1.971 1.00 0.00 H new ATOM 0 HE3 LYS A 79 3.239 5.270 1.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 1.656 6.322 0.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 0.790 6.347 1.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 1.656 7.720 1.258 1.00 0.00 H new ATOM 1252 N ASP A 80 -0.208 1.341 4.325 1.00 0.00 N ATOM 1253 CA ASP A 80 -0.608 0.601 5.561 1.00 0.00 C ATOM 1254 C ASP A 80 -0.189 -0.867 5.449 1.00 0.00 C ATOM 1255 O ASP A 80 0.260 -1.462 6.411 1.00 0.00 O ATOM 1256 CB ASP A 80 -2.132 0.739 5.650 1.00 0.00 C ATOM 1257 CG ASP A 80 -2.478 1.903 6.584 1.00 0.00 C ATOM 1258 OD1 ASP A 80 -2.519 1.681 7.783 1.00 0.00 O ATOM 1259 OD2 ASP A 80 -2.681 2.999 6.087 1.00 0.00 O ATOM 0 H ASP A 80 -0.981 1.671 3.747 1.00 0.00 H new ATOM 0 HA ASP A 80 -0.127 0.998 6.455 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -2.552 0.915 4.660 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -2.572 -0.186 6.023 1.00 0.00 H new ATOM 1264 N PHE A 81 -0.310 -1.448 4.280 1.00 0.00 N ATOM 1265 CA PHE A 81 0.109 -2.871 4.111 1.00 0.00 C ATOM 1266 C PHE A 81 1.630 -2.977 4.267 1.00 0.00 C ATOM 1267 O PHE A 81 2.135 -3.897 4.883 1.00 0.00 O ATOM 1268 CB PHE A 81 -0.327 -3.258 2.692 1.00 0.00 C ATOM 1269 CG PHE A 81 0.239 -4.615 2.335 1.00 0.00 C ATOM 1270 CD1 PHE A 81 1.515 -4.712 1.765 1.00 0.00 C ATOM 1271 CD2 PHE A 81 -0.509 -5.773 2.575 1.00 0.00 C ATOM 1272 CE1 PHE A 81 2.042 -5.966 1.438 1.00 0.00 C ATOM 1273 CE2 PHE A 81 0.018 -7.027 2.247 1.00 0.00 C ATOM 1274 CZ PHE A 81 1.294 -7.124 1.679 1.00 0.00 C ATOM 0 H PHE A 81 -0.679 -1.000 3.441 1.00 0.00 H new ATOM 0 HA PHE A 81 -0.338 -3.532 4.854 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -1.415 -3.279 2.629 1.00 0.00 H new ATOM 0 HB3 PHE A 81 0.019 -2.510 1.979 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.092 -3.818 1.578 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -1.493 -5.699 3.013 1.00 0.00 H new ATOM 0 HE1 PHE A 81 3.026 -6.040 1.000 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -0.560 -7.920 2.432 1.00 0.00 H new ATOM 0 HZ PHE A 81 1.701 -8.092 1.427 1.00 0.00 H new ATOM 1284 N VAL A 82 2.363 -2.032 3.724 1.00 0.00 N ATOM 1285 CA VAL A 82 3.849 -2.071 3.852 1.00 0.00 C ATOM 1286 C VAL A 82 4.251 -1.853 5.316 1.00 0.00 C ATOM 1287 O VAL A 82 5.188 -2.455 5.800 1.00 0.00 O ATOM 1288 CB VAL A 82 4.367 -0.932 2.962 1.00 0.00 C ATOM 1289 CG1 VAL A 82 5.861 -0.709 3.218 1.00 0.00 C ATOM 1290 CG2 VAL A 82 4.159 -1.299 1.489 1.00 0.00 C ATOM 0 H VAL A 82 1.994 -1.239 3.200 1.00 0.00 H new ATOM 0 HA VAL A 82 4.267 -3.030 3.547 1.00 0.00 H new ATOM 0 HB VAL A 82 3.819 -0.019 3.196 1.00 0.00 H new ATOM 0 HG11 VAL A 82 6.222 0.100 2.583 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.016 -0.446 4.264 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.410 -1.622 2.988 1.00 0.00 H new ATOM 0 HG21 VAL A 82 4.527 -0.490 0.857 1.00 0.00 H new ATOM 0 HG22 VAL A 82 4.705 -2.214 1.261 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.097 -1.454 1.299 1.00 0.00 H new ATOM 1300 N ARG A 83 3.544 -1.007 6.025 1.00 0.00 N ATOM 1301 CA ARG A 83 3.886 -0.763 7.459 1.00 0.00 C ATOM 1302 C ARG A 83 3.660 -2.038 8.280 1.00 0.00 C ATOM 1303 O ARG A 83 4.438 -2.359 9.158 1.00 0.00 O ATOM 1304 CB ARG A 83 2.946 0.355 7.918 1.00 0.00 C ATOM 1305 CG ARG A 83 3.743 1.416 8.686 1.00 0.00 C ATOM 1306 CD ARG A 83 3.147 2.804 8.421 1.00 0.00 C ATOM 1307 NE ARG A 83 1.725 2.709 8.870 1.00 0.00 N ATOM 1308 CZ ARG A 83 0.757 3.175 8.121 1.00 0.00 C ATOM 1309 NH1 ARG A 83 0.790 3.010 6.822 1.00 0.00 N ATOM 1310 NH2 ARG A 83 -0.249 3.799 8.678 1.00 0.00 N ATOM 0 H ARG A 83 2.747 -0.477 5.673 1.00 0.00 H new ATOM 0 HA ARG A 83 4.931 -0.484 7.590 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.455 0.808 7.056 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.161 -0.055 8.553 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.721 1.198 9.754 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.788 1.394 8.377 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.684 3.576 8.973 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.210 3.065 7.365 1.00 0.00 H new ATOM 0 HE ARG A 83 1.506 2.277 9.768 1.00 0.00 H new ATOM 0 HH11 ARG A 83 1.572 2.517 6.390 1.00 0.00 H new ATOM 0 HH12 ARG A 83 0.034 3.374 6.242 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -0.276 3.920 9.690 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -1.006 4.164 8.100 1.00 0.00 H new ATOM 1324 N LYS A 84 2.610 -2.774 7.997 1.00 0.00 N ATOM 1325 CA LYS A 84 2.353 -4.034 8.762 1.00 0.00 C ATOM 1326 C LYS A 84 3.436 -5.072 8.444 1.00 0.00 C ATOM 1327 O LYS A 84 3.907 -5.776 9.318 1.00 0.00 O ATOM 1328 CB LYS A 84 0.978 -4.524 8.295 1.00 0.00 C ATOM 1329 CG LYS A 84 0.218 -5.118 9.483 1.00 0.00 C ATOM 1330 CD LYS A 84 -0.528 -4.003 10.222 1.00 0.00 C ATOM 1331 CE LYS A 84 -0.703 -4.391 11.694 1.00 0.00 C ATOM 1332 NZ LYS A 84 -0.958 -3.108 12.411 1.00 0.00 N ATOM 0 H LYS A 84 1.924 -2.557 7.274 1.00 0.00 H new ATOM 0 HA LYS A 84 2.373 -3.871 9.840 1.00 0.00 H new ATOM 0 HB2 LYS A 84 0.413 -3.698 7.864 1.00 0.00 H new ATOM 0 HB3 LYS A 84 1.094 -5.273 7.512 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -0.487 -5.874 9.136 1.00 0.00 H new ATOM 0 HG3 LYS A 84 0.912 -5.616 10.160 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.026 -3.068 10.145 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -1.501 -3.835 9.761 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -1.534 -5.085 11.822 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.188 -4.886 12.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -1.088 -3.297 13.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -0.148 -2.469 12.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -1.817 -2.662 12.030 1.00 0.00 H new ATOM 1346 N ALA A 85 3.843 -5.161 7.201 1.00 0.00 N ATOM 1347 CA ALA A 85 4.909 -6.143 6.829 1.00 0.00 C ATOM 1348 C ALA A 85 6.274 -5.657 7.333 1.00 0.00 C ATOM 1349 O ALA A 85 7.147 -6.449 7.639 1.00 0.00 O ATOM 1350 CB ALA A 85 4.885 -6.206 5.300 1.00 0.00 C ATOM 0 H ALA A 85 3.484 -4.598 6.430 1.00 0.00 H new ATOM 0 HA ALA A 85 4.739 -7.124 7.273 1.00 0.00 H new ATOM 0 HB1 ALA A 85 5.643 -6.909 4.953 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.902 -6.537 4.965 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.093 -5.217 4.892 1.00 0.00 H new ATOM 1356 N PHE A 86 6.460 -4.361 7.428 1.00 0.00 N ATOM 1357 CA PHE A 86 7.762 -3.824 7.922 1.00 0.00 C ATOM 1358 C PHE A 86 7.880 -4.026 9.437 1.00 0.00 C ATOM 1359 O PHE A 86 8.945 -4.324 9.943 1.00 0.00 O ATOM 1360 CB PHE A 86 7.754 -2.332 7.576 1.00 0.00 C ATOM 1361 CG PHE A 86 9.150 -1.904 7.196 1.00 0.00 C ATOM 1362 CD1 PHE A 86 10.069 -1.547 8.191 1.00 0.00 C ATOM 1363 CD2 PHE A 86 9.529 -1.871 5.848 1.00 0.00 C ATOM 1364 CE1 PHE A 86 11.365 -1.157 7.838 1.00 0.00 C ATOM 1365 CE2 PHE A 86 10.826 -1.482 5.496 1.00 0.00 C ATOM 1366 CZ PHE A 86 11.744 -1.125 6.491 1.00 0.00 C ATOM 0 H PHE A 86 5.765 -3.655 7.184 1.00 0.00 H new ATOM 0 HA PHE A 86 8.610 -4.335 7.465 1.00 0.00 H new ATOM 0 HB2 PHE A 86 7.065 -2.141 6.753 1.00 0.00 H new ATOM 0 HB3 PHE A 86 7.402 -1.751 8.428 1.00 0.00 H new ATOM 0 HD1 PHE A 86 9.777 -1.573 9.230 1.00 0.00 H new ATOM 0 HD2 PHE A 86 8.820 -2.146 5.081 1.00 0.00 H new ATOM 0 HE1 PHE A 86 12.073 -0.881 8.605 1.00 0.00 H new ATOM 0 HE2 PHE A 86 11.119 -1.457 4.457 1.00 0.00 H new ATOM 0 HZ PHE A 86 12.745 -0.825 6.219 1.00 0.00 H new ATOM 1376 N GLN A 87 6.796 -3.871 10.165 1.00 0.00 N ATOM 1377 CA GLN A 87 6.860 -4.063 11.648 1.00 0.00 C ATOM 1378 C GLN A 87 7.153 -5.533 11.981 1.00 0.00 C ATOM 1379 O GLN A 87 7.873 -5.833 12.914 1.00 0.00 O ATOM 1380 CB GLN A 87 5.480 -3.653 12.175 1.00 0.00 C ATOM 1381 CG GLN A 87 5.644 -2.852 13.472 1.00 0.00 C ATOM 1382 CD GLN A 87 4.827 -1.560 13.383 1.00 0.00 C ATOM 1383 OE1 GLN A 87 3.633 -1.597 13.166 1.00 0.00 O ATOM 1384 NE2 GLN A 87 5.422 -0.409 13.544 1.00 0.00 N ATOM 0 H GLN A 87 5.878 -3.622 9.798 1.00 0.00 H new ATOM 0 HA GLN A 87 7.654 -3.470 12.102 1.00 0.00 H new ATOM 0 HB2 GLN A 87 4.958 -3.054 11.429 1.00 0.00 H new ATOM 0 HB3 GLN A 87 4.871 -4.538 12.357 1.00 0.00 H new ATOM 0 HG2 GLN A 87 5.312 -3.446 14.323 1.00 0.00 H new ATOM 0 HG3 GLN A 87 6.696 -2.619 13.637 1.00 0.00 H new ATOM 0 HE21 GLN A 87 6.425 -0.374 13.726 1.00 0.00 H new ATOM 0 HE22 GLN A 87 4.884 0.456 13.487 1.00 0.00 H new ATOM 1393 N LYS A 88 6.605 -6.451 11.221 1.00 0.00 N ATOM 1394 CA LYS A 88 6.858 -7.899 11.489 1.00 0.00 C ATOM 1395 C LYS A 88 8.280 -8.274 11.053 1.00 0.00 C ATOM 1396 O LYS A 88 9.050 -8.810 11.827 1.00 0.00 O ATOM 1397 CB LYS A 88 5.816 -8.655 10.658 1.00 0.00 C ATOM 1398 CG LYS A 88 4.507 -8.756 11.446 1.00 0.00 C ATOM 1399 CD LYS A 88 4.660 -9.786 12.572 1.00 0.00 C ATOM 1400 CE LYS A 88 4.418 -9.110 13.927 1.00 0.00 C ATOM 1401 NZ LYS A 88 5.068 -10.000 14.933 1.00 0.00 N ATOM 0 H LYS A 88 5.994 -6.258 10.427 1.00 0.00 H new ATOM 0 HA LYS A 88 6.776 -8.143 12.548 1.00 0.00 H new ATOM 0 HB2 LYS A 88 5.645 -8.139 9.713 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.184 -9.652 10.414 1.00 0.00 H new ATOM 0 HG2 LYS A 88 4.246 -7.783 11.863 1.00 0.00 H new ATOM 0 HG3 LYS A 88 3.693 -9.047 10.782 1.00 0.00 H new ATOM 0 HD2 LYS A 88 3.952 -10.602 12.430 1.00 0.00 H new ATOM 0 HD3 LYS A 88 5.658 -10.222 12.546 1.00 0.00 H new ATOM 0 HE2 LYS A 88 4.850 -8.109 13.950 1.00 0.00 H new ATOM 0 HE3 LYS A 88 3.352 -9.002 14.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 4.942 -9.599 15.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 4.632 -10.944 14.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 6.083 -10.079 14.722 1.00 0.00 H new ATOM 1415 N GLY A 89 8.632 -7.992 9.822 1.00 0.00 N ATOM 1416 CA GLY A 89 9.999 -8.322 9.334 1.00 0.00 C ATOM 1417 C GLY A 89 9.918 -8.991 7.959 1.00 0.00 C ATOM 1418 O GLY A 89 10.461 -10.059 7.752 1.00 0.00 O ATOM 0 H GLY A 89 8.025 -7.545 9.134 1.00 0.00 H new ATOM 0 HA2 GLY A 89 10.600 -7.415 9.271 1.00 0.00 H new ATOM 0 HA3 GLY A 89 10.496 -8.986 10.042 1.00 0.00 H new ATOM 1422 N LEU A 90 9.249 -8.371 7.016 1.00 0.00 N ATOM 1423 CA LEU A 90 9.141 -8.974 5.654 1.00 0.00 C ATOM 1424 C LEU A 90 9.695 -8.009 4.598 1.00 0.00 C ATOM 1425 O LEU A 90 10.598 -8.346 3.856 1.00 0.00 O ATOM 1426 CB LEU A 90 7.644 -9.223 5.435 1.00 0.00 C ATOM 1427 CG LEU A 90 7.264 -10.615 5.956 1.00 0.00 C ATOM 1428 CD1 LEU A 90 5.807 -10.916 5.602 1.00 0.00 C ATOM 1429 CD2 LEU A 90 8.166 -11.676 5.314 1.00 0.00 C ATOM 0 H LEU A 90 8.775 -7.475 7.132 1.00 0.00 H new ATOM 0 HA LEU A 90 9.716 -9.896 5.568 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.060 -8.460 5.951 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.405 -9.144 4.374 1.00 0.00 H new ATOM 0 HG LEU A 90 7.392 -10.635 7.038 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.539 -11.905 5.973 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.159 -10.169 6.061 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.682 -10.889 4.519 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.891 -12.662 5.688 1.00 0.00 H new ATOM 0 HD22 LEU A 90 8.043 -11.651 4.231 1.00 0.00 H new ATOM 0 HD23 LEU A 90 9.206 -11.470 5.566 1.00 0.00 H new ATOM 1441 N ILE A 91 9.166 -6.811 4.528 1.00 0.00 N ATOM 1442 CA ILE A 91 9.667 -5.827 3.522 1.00 0.00 C ATOM 1443 C ILE A 91 10.992 -5.217 4.002 1.00 0.00 C ATOM 1444 O ILE A 91 11.026 -4.446 4.942 1.00 0.00 O ATOM 1445 CB ILE A 91 8.574 -4.752 3.419 1.00 0.00 C ATOM 1446 CG1 ILE A 91 7.322 -5.353 2.768 1.00 0.00 C ATOM 1447 CG2 ILE A 91 9.073 -3.583 2.563 1.00 0.00 C ATOM 1448 CD1 ILE A 91 6.129 -4.424 3.001 1.00 0.00 C ATOM 0 H ILE A 91 8.410 -6.474 5.124 1.00 0.00 H new ATOM 0 HA ILE A 91 9.861 -6.289 2.554 1.00 0.00 H new ATOM 0 HB ILE A 91 8.333 -4.393 4.420 1.00 0.00 H new ATOM 0 HG12 ILE A 91 7.486 -5.491 1.699 1.00 0.00 H new ATOM 0 HG13 ILE A 91 7.117 -6.337 3.189 1.00 0.00 H new ATOM 0 HG21 ILE A 91 8.294 -2.824 2.494 1.00 0.00 H new ATOM 0 HG22 ILE A 91 9.962 -3.150 3.022 1.00 0.00 H new ATOM 0 HG23 ILE A 91 9.319 -3.943 1.564 1.00 0.00 H new ATOM 0 HD11 ILE A 91 5.239 -4.851 2.538 1.00 0.00 H new ATOM 0 HD12 ILE A 91 5.961 -4.309 4.072 1.00 0.00 H new ATOM 0 HD13 ILE A 91 6.335 -3.449 2.559 1.00 0.00 H new ATOM 1460 N SER A 92 12.080 -5.558 3.362 1.00 0.00 N ATOM 1461 CA SER A 92 13.405 -4.998 3.774 1.00 0.00 C ATOM 1462 C SER A 92 13.733 -3.748 2.950 1.00 0.00 C ATOM 1463 O SER A 92 13.095 -3.468 1.951 1.00 0.00 O ATOM 1464 CB SER A 92 14.421 -6.104 3.485 1.00 0.00 C ATOM 1465 OG SER A 92 14.109 -7.249 4.268 1.00 0.00 O ATOM 0 H SER A 92 12.110 -6.201 2.571 1.00 0.00 H new ATOM 0 HA SER A 92 13.413 -4.703 4.823 1.00 0.00 H new ATOM 0 HB2 SER A 92 14.405 -6.359 2.425 1.00 0.00 H new ATOM 0 HB3 SER A 92 15.428 -5.757 3.714 1.00 0.00 H new ATOM 0 HG SER A 92 14.222 -8.057 3.725 1.00 0.00 H new ATOM 1471 N GLN A 93 14.725 -2.999 3.360 1.00 0.00 N ATOM 1472 CA GLN A 93 15.104 -1.766 2.602 1.00 0.00 C ATOM 1473 C GLN A 93 15.652 -2.136 1.217 1.00 0.00 C ATOM 1474 O GLN A 93 15.251 -1.574 0.215 1.00 0.00 O ATOM 1475 CB GLN A 93 16.191 -1.089 3.445 1.00 0.00 C ATOM 1476 CG GLN A 93 15.985 0.429 3.430 1.00 0.00 C ATOM 1477 CD GLN A 93 15.358 0.870 4.754 1.00 0.00 C ATOM 1478 OE1 GLN A 93 16.019 1.457 5.587 1.00 0.00 O ATOM 1479 NE2 GLN A 93 14.102 0.610 4.987 1.00 0.00 N ATOM 0 H GLN A 93 15.290 -3.188 4.188 1.00 0.00 H new ATOM 0 HA GLN A 93 14.249 -1.110 2.440 1.00 0.00 H new ATOM 0 HB2 GLN A 93 16.155 -1.461 4.469 1.00 0.00 H new ATOM 0 HB3 GLN A 93 17.177 -1.336 3.051 1.00 0.00 H new ATOM 0 HG2 GLN A 93 16.939 0.935 3.280 1.00 0.00 H new ATOM 0 HG3 GLN A 93 15.340 0.711 2.598 1.00 0.00 H new ATOM 0 HE21 GLN A 93 13.545 0.117 4.289 1.00 0.00 H new ATOM 0 HE22 GLN A 93 13.676 0.899 5.867 1.00 0.00 H new ATOM 1488 N GLN A 94 16.567 -3.073 1.158 1.00 0.00 N ATOM 1489 CA GLN A 94 17.151 -3.481 -0.159 1.00 0.00 C ATOM 1490 C GLN A 94 16.074 -4.090 -1.065 1.00 0.00 C ATOM 1491 O GLN A 94 16.019 -3.804 -2.247 1.00 0.00 O ATOM 1492 CB GLN A 94 18.225 -4.526 0.170 1.00 0.00 C ATOM 1493 CG GLN A 94 19.356 -3.885 0.987 1.00 0.00 C ATOM 1494 CD GLN A 94 19.962 -2.709 0.213 1.00 0.00 C ATOM 1495 OE1 GLN A 94 20.321 -2.844 -0.940 1.00 0.00 O ATOM 1496 NE2 GLN A 94 20.091 -1.552 0.805 1.00 0.00 N ATOM 0 H GLN A 94 16.935 -3.574 1.966 1.00 0.00 H new ATOM 0 HA GLN A 94 17.567 -2.626 -0.693 1.00 0.00 H new ATOM 0 HB2 GLN A 94 17.782 -5.349 0.731 1.00 0.00 H new ATOM 0 HB3 GLN A 94 18.626 -4.948 -0.751 1.00 0.00 H new ATOM 0 HG2 GLN A 94 18.972 -3.540 1.947 1.00 0.00 H new ATOM 0 HG3 GLN A 94 20.126 -4.626 1.200 1.00 0.00 H new ATOM 0 HE21 GLN A 94 19.790 -1.438 1.773 1.00 0.00 H new ATOM 0 HE22 GLN A 94 20.493 -0.762 0.299 1.00 0.00 H new ATOM 1505 N GLU A 95 15.221 -4.923 -0.524 1.00 0.00 N ATOM 1506 CA GLU A 95 14.147 -5.549 -1.358 1.00 0.00 C ATOM 1507 C GLU A 95 13.218 -4.470 -1.923 1.00 0.00 C ATOM 1508 O GLU A 95 12.855 -4.502 -3.084 1.00 0.00 O ATOM 1509 CB GLU A 95 13.381 -6.467 -0.402 1.00 0.00 C ATOM 1510 CG GLU A 95 14.072 -7.831 -0.326 1.00 0.00 C ATOM 1511 CD GLU A 95 13.781 -8.479 1.032 1.00 0.00 C ATOM 1512 OE1 GLU A 95 12.619 -8.717 1.317 1.00 0.00 O ATOM 1513 OE2 GLU A 95 14.727 -8.727 1.762 1.00 0.00 O ATOM 0 H GLU A 95 15.221 -5.197 0.458 1.00 0.00 H new ATOM 0 HA GLU A 95 14.554 -6.096 -2.208 1.00 0.00 H new ATOM 0 HB2 GLU A 95 13.335 -6.017 0.590 1.00 0.00 H new ATOM 0 HB3 GLU A 95 12.354 -6.588 -0.745 1.00 0.00 H new ATOM 0 HG2 GLU A 95 13.718 -8.475 -1.131 1.00 0.00 H new ATOM 0 HG3 GLU A 95 15.147 -7.713 -0.461 1.00 0.00 H new ATOM 1520 N ALA A 96 12.840 -3.513 -1.112 1.00 0.00 N ATOM 1521 CA ALA A 96 11.941 -2.425 -1.601 1.00 0.00 C ATOM 1522 C ALA A 96 12.659 -1.595 -2.671 1.00 0.00 C ATOM 1523 O ALA A 96 12.060 -1.172 -3.641 1.00 0.00 O ATOM 1524 CB ALA A 96 11.630 -1.571 -0.368 1.00 0.00 C ATOM 0 H ALA A 96 13.116 -3.439 -0.133 1.00 0.00 H new ATOM 0 HA ALA A 96 11.031 -2.814 -2.057 1.00 0.00 H new ATOM 0 HB1 ALA A 96 10.972 -0.749 -0.651 1.00 0.00 H new ATOM 0 HB2 ALA A 96 11.139 -2.186 0.386 1.00 0.00 H new ATOM 0 HB3 ALA A 96 12.558 -1.169 0.040 1.00 0.00 H new ATOM 1530 N ASN A 97 13.940 -1.373 -2.504 1.00 0.00 N ATOM 1531 CA ASN A 97 14.707 -0.582 -3.513 1.00 0.00 C ATOM 1532 C ASN A 97 14.799 -1.353 -4.836 1.00 0.00 C ATOM 1533 O ASN A 97 14.709 -0.775 -5.903 1.00 0.00 O ATOM 1534 CB ASN A 97 16.097 -0.392 -2.901 1.00 0.00 C ATOM 1535 CG ASN A 97 16.855 0.681 -3.683 1.00 0.00 C ATOM 1536 OD1 ASN A 97 16.684 1.858 -3.439 1.00 0.00 O ATOM 1537 ND2 ASN A 97 17.690 0.322 -4.619 1.00 0.00 N ATOM 0 H ASN A 97 14.487 -1.707 -1.711 1.00 0.00 H new ATOM 0 HA ASN A 97 14.229 0.372 -3.737 1.00 0.00 H new ATOM 0 HB2 ASN A 97 16.009 -0.100 -1.854 1.00 0.00 H new ATOM 0 HB3 ASN A 97 16.648 -1.332 -2.925 1.00 0.00 H new ATOM 0 HD21 ASN A 97 18.200 1.030 -5.147 1.00 0.00 H new ATOM 0 HD22 ASN A 97 17.833 -0.667 -4.823 1.00 0.00 H new ATOM 1544 N GLN A 98 14.968 -2.653 -4.776 1.00 0.00 N ATOM 1545 CA GLN A 98 15.050 -3.453 -6.036 1.00 0.00 C ATOM 1546 C GLN A 98 13.694 -3.428 -6.752 1.00 0.00 C ATOM 1547 O GLN A 98 13.626 -3.335 -7.964 1.00 0.00 O ATOM 1548 CB GLN A 98 15.408 -4.879 -5.599 1.00 0.00 C ATOM 1549 CG GLN A 98 16.722 -5.307 -6.261 1.00 0.00 C ATOM 1550 CD GLN A 98 17.897 -4.587 -5.592 1.00 0.00 C ATOM 1551 OE1 GLN A 98 18.487 -3.697 -6.172 1.00 0.00 O ATOM 1552 NE2 GLN A 98 18.263 -4.934 -4.389 1.00 0.00 N ATOM 0 H GLN A 98 15.052 -3.191 -3.913 1.00 0.00 H new ATOM 0 HA GLN A 98 15.791 -3.056 -6.730 1.00 0.00 H new ATOM 0 HB2 GLN A 98 15.505 -4.924 -4.514 1.00 0.00 H new ATOM 0 HB3 GLN A 98 14.609 -5.566 -5.877 1.00 0.00 H new ATOM 0 HG2 GLN A 98 16.848 -6.386 -6.176 1.00 0.00 H new ATOM 0 HG3 GLN A 98 16.697 -5.072 -7.325 1.00 0.00 H new ATOM 0 HE21 GLN A 98 17.769 -5.681 -3.901 1.00 0.00 H new ATOM 0 HE22 GLN A 98 19.044 -4.458 -3.936 1.00 0.00 H new ATOM 1561 N TRP A 99 12.616 -3.494 -6.007 1.00 0.00 N ATOM 1562 CA TRP A 99 11.265 -3.456 -6.641 1.00 0.00 C ATOM 1563 C TRP A 99 11.032 -2.086 -7.289 1.00 0.00 C ATOM 1564 O TRP A 99 10.493 -1.989 -8.376 1.00 0.00 O ATOM 1565 CB TRP A 99 10.272 -3.685 -5.500 1.00 0.00 C ATOM 1566 CG TRP A 99 8.908 -3.911 -6.070 1.00 0.00 C ATOM 1567 CD1 TRP A 99 8.596 -4.849 -6.994 1.00 0.00 C ATOM 1568 CD2 TRP A 99 7.673 -3.199 -5.776 1.00 0.00 C ATOM 1569 NE1 TRP A 99 7.247 -4.759 -7.284 1.00 0.00 N ATOM 1570 CE2 TRP A 99 6.635 -3.756 -6.559 1.00 0.00 C ATOM 1571 CE3 TRP A 99 7.355 -2.135 -4.914 1.00 0.00 C ATOM 1572 CZ2 TRP A 99 5.329 -3.273 -6.489 1.00 0.00 C ATOM 1573 CZ3 TRP A 99 6.042 -1.649 -4.842 1.00 0.00 C ATOM 1574 CH2 TRP A 99 5.031 -2.216 -5.629 1.00 0.00 C ATOM 0 H TRP A 99 12.616 -3.572 -4.990 1.00 0.00 H new ATOM 0 HA TRP A 99 11.156 -4.207 -7.423 1.00 0.00 H new ATOM 0 HB2 TRP A 99 10.577 -4.545 -4.904 1.00 0.00 H new ATOM 0 HB3 TRP A 99 10.262 -2.823 -4.833 1.00 0.00 H new ATOM 0 HD1 TRP A 99 9.288 -5.553 -7.433 1.00 0.00 H new ATOM 0 HE1 TRP A 99 6.763 -5.360 -7.952 1.00 0.00 H new ATOM 0 HE3 TRP A 99 8.127 -1.689 -4.304 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 4.553 -3.714 -7.097 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 5.808 -0.832 -4.175 1.00 0.00 H new ATOM 0 HH2 TRP A 99 4.022 -1.835 -5.570 1.00 0.00 H new ATOM 1585 N LEU A 100 11.440 -1.029 -6.627 1.00 0.00 N ATOM 1586 CA LEU A 100 11.251 0.340 -7.206 1.00 0.00 C ATOM 1587 C LEU A 100 12.122 0.509 -8.460 1.00 0.00 C ATOM 1588 O LEU A 100 11.745 1.196 -9.392 1.00 0.00 O ATOM 1589 CB LEU A 100 11.683 1.327 -6.112 1.00 0.00 C ATOM 1590 CG LEU A 100 10.533 1.531 -5.117 1.00 0.00 C ATOM 1591 CD1 LEU A 100 11.085 2.084 -3.801 1.00 0.00 C ATOM 1592 CD2 LEU A 100 9.518 2.523 -5.698 1.00 0.00 C ATOM 0 H LEU A 100 11.894 -1.054 -5.714 1.00 0.00 H new ATOM 0 HA LEU A 100 10.217 0.511 -7.506 1.00 0.00 H new ATOM 0 HB2 LEU A 100 12.563 0.947 -5.593 1.00 0.00 H new ATOM 0 HB3 LEU A 100 11.964 2.281 -6.559 1.00 0.00 H new ATOM 0 HG LEU A 100 10.043 0.575 -4.934 1.00 0.00 H new ATOM 0 HD11 LEU A 100 10.267 2.228 -3.095 1.00 0.00 H new ATOM 0 HD12 LEU A 100 11.804 1.379 -3.383 1.00 0.00 H new ATOM 0 HD13 LEU A 100 11.578 3.039 -3.986 1.00 0.00 H new ATOM 0 HD21 LEU A 100 8.702 2.666 -4.989 1.00 0.00 H new ATOM 0 HD22 LEU A 100 10.009 3.478 -5.884 1.00 0.00 H new ATOM 0 HD23 LEU A 100 9.121 2.131 -6.634 1.00 0.00 H new