USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 583 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 Single : A 28 ASN : amide:sc= -0.309 K(o=-0.31,f=-2.6!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.434 X(o=-0.43,f=-0.079) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -108:sc= 1.38 USER MOD Single : A 42 GLN : amide:sc= -0.197 X(o=-0.2,f=-0.027) USER MOD Single : A 47 GLN : amide:sc= -0.652 K(o=-0.65,f=-2.9!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -1.6 X(o=-1.6,f=-1.5) USER MOD Single : A 69 TYR OH : rot 80:sc= -1.15 USER MOD Single : A 72 CYS SG : rot 46:sc= -0.302 USER MOD Single : A 76 GLN : amide:sc= -0.936 K(o=-0.94,f=-2) USER MOD Single : A 80 THR OG1 : rot 140:sc= -0.454 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot -51:sc= 0.179 USER MOD Single : A 88 GLN : amide:sc= -0.266 K(o=-0.27,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 103 N VAL A 11 -1.075 -8.735 -7.355 1.00 0.00 N ATOM 104 CA VAL A 11 -0.403 -9.412 -6.253 1.00 0.00 C ATOM 105 C VAL A 11 0.374 -8.422 -5.393 1.00 0.00 C ATOM 106 O VAL A 11 0.451 -7.236 -5.710 1.00 0.00 O ATOM 107 CB VAL A 11 0.563 -10.497 -6.765 1.00 0.00 C ATOM 108 CG1 VAL A 11 -0.210 -11.696 -7.293 1.00 0.00 C ATOM 109 CG2 VAL A 11 1.482 -9.930 -7.837 1.00 0.00 C ATOM 0 HA VAL A 11 -1.180 -9.883 -5.650 1.00 0.00 H new ATOM 0 HB VAL A 11 1.179 -10.832 -5.931 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.490 -12.452 -7.650 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -0.821 -12.116 -6.494 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -0.854 -11.381 -8.114 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.158 -10.710 -8.187 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.885 -9.565 -8.673 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.063 -9.107 -7.420 1.00 0.00 H new ATOM 119 N GLY A 12 0.951 -8.919 -4.303 1.00 0.00 N ATOM 120 CA GLY A 12 1.716 -8.066 -3.413 1.00 0.00 C ATOM 121 C GLY A 12 3.120 -8.586 -3.180 1.00 0.00 C ATOM 122 O GLY A 12 3.634 -9.381 -3.966 1.00 0.00 O ATOM 0 H GLY A 12 0.902 -9.898 -4.021 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.769 -7.062 -3.833 1.00 0.00 H new ATOM 0 HA3 GLY A 12 1.198 -7.985 -2.457 1.00 0.00 H new ATOM 126 N ASP A 13 3.743 -8.136 -2.095 1.00 0.00 N ATOM 127 CA ASP A 13 5.097 -8.561 -1.760 1.00 0.00 C ATOM 128 C ASP A 13 5.083 -9.566 -0.613 1.00 0.00 C ATOM 129 O ASP A 13 4.019 -9.982 -0.152 1.00 0.00 O ATOM 130 CB ASP A 13 5.956 -7.352 -1.385 1.00 0.00 C ATOM 131 CG ASP A 13 6.792 -6.854 -2.548 1.00 0.00 C ATOM 132 OD1 ASP A 13 7.825 -7.487 -2.851 1.00 0.00 O ATOM 133 OD2 ASP A 13 6.413 -5.831 -3.157 1.00 0.00 O ATOM 0 H ASP A 13 3.332 -7.478 -1.433 1.00 0.00 H new ATOM 0 HA ASP A 13 5.527 -9.044 -2.637 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.311 -6.547 -1.033 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.613 -7.619 -0.557 1.00 0.00 H new ATOM 138 N ASP A 14 6.269 -9.951 -0.156 1.00 0.00 N ATOM 139 CA ASP A 14 6.394 -10.907 0.939 1.00 0.00 C ATOM 140 C ASP A 14 7.101 -10.275 2.133 1.00 0.00 C ATOM 141 O ASP A 14 7.798 -10.956 2.886 1.00 0.00 O ATOM 142 CB ASP A 14 7.159 -12.147 0.475 1.00 0.00 C ATOM 143 CG ASP A 14 6.240 -13.226 -0.062 1.00 0.00 C ATOM 144 OD1 ASP A 14 5.037 -13.205 0.277 1.00 0.00 O ATOM 145 OD2 ASP A 14 6.722 -14.095 -0.819 1.00 0.00 O ATOM 0 H ASP A 14 7.158 -9.616 -0.527 1.00 0.00 H new ATOM 0 HA ASP A 14 5.391 -11.202 1.248 1.00 0.00 H new ATOM 0 HB2 ASP A 14 7.872 -11.862 -0.299 1.00 0.00 H new ATOM 0 HB3 ASP A 14 7.737 -12.547 1.308 1.00 0.00 H new ATOM 150 N PHE A 15 6.920 -8.969 2.299 1.00 0.00 N ATOM 151 CA PHE A 15 7.540 -8.245 3.401 1.00 0.00 C ATOM 152 C PHE A 15 6.797 -6.943 3.683 1.00 0.00 C ATOM 153 O PHE A 15 6.616 -6.113 2.792 1.00 0.00 O ATOM 154 CB PHE A 15 9.009 -7.952 3.082 1.00 0.00 C ATOM 155 CG PHE A 15 9.972 -8.653 3.998 1.00 0.00 C ATOM 156 CD1 PHE A 15 10.036 -8.321 5.342 1.00 0.00 C ATOM 157 CD2 PHE A 15 10.812 -9.643 3.515 1.00 0.00 C ATOM 158 CE1 PHE A 15 10.920 -8.964 6.187 1.00 0.00 C ATOM 159 CE2 PHE A 15 11.698 -10.289 4.355 1.00 0.00 C ATOM 160 CZ PHE A 15 11.752 -9.950 5.693 1.00 0.00 C ATOM 0 H PHE A 15 6.348 -8.391 1.683 1.00 0.00 H new ATOM 0 HA PHE A 15 7.487 -8.871 4.292 1.00 0.00 H new ATOM 0 HB2 PHE A 15 9.216 -8.249 2.054 1.00 0.00 H new ATOM 0 HB3 PHE A 15 9.179 -6.877 3.143 1.00 0.00 H new ATOM 0 HD1 PHE A 15 9.388 -7.551 5.733 1.00 0.00 H new ATOM 0 HD2 PHE A 15 10.774 -9.913 2.470 1.00 0.00 H new ATOM 0 HE1 PHE A 15 10.961 -8.696 7.232 1.00 0.00 H new ATOM 0 HE2 PHE A 15 12.348 -11.059 3.966 1.00 0.00 H new ATOM 0 HZ PHE A 15 12.443 -10.455 6.352 1.00 0.00 H new ATOM 170 N LEU A 16 6.367 -6.771 4.928 1.00 0.00 N ATOM 171 CA LEU A 16 5.643 -5.570 5.328 1.00 0.00 C ATOM 172 C LEU A 16 6.596 -4.395 5.530 1.00 0.00 C ATOM 173 O LEU A 16 6.180 -3.236 5.510 1.00 0.00 O ATOM 174 CB LEU A 16 4.855 -5.830 6.613 1.00 0.00 C ATOM 175 CG LEU A 16 3.458 -6.425 6.405 1.00 0.00 C ATOM 176 CD1 LEU A 16 3.288 -7.694 7.227 1.00 0.00 C ATOM 177 CD2 LEU A 16 2.384 -5.408 6.764 1.00 0.00 C ATOM 0 H LEU A 16 6.507 -7.448 5.678 1.00 0.00 H new ATOM 0 HA LEU A 16 4.949 -5.314 4.528 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.431 -6.506 7.245 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.756 -4.891 7.158 1.00 0.00 H new ATOM 0 HG LEU A 16 3.349 -6.682 5.351 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.290 -8.101 7.066 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.033 -8.428 6.921 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.419 -7.463 8.284 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.399 -5.849 6.610 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.492 -5.118 7.809 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.490 -4.527 6.130 1.00 0.00 H new ATOM 189 N GLY A 17 7.878 -4.696 5.725 1.00 0.00 N ATOM 190 CA GLY A 17 8.863 -3.651 5.926 1.00 0.00 C ATOM 191 C GLY A 17 8.798 -3.052 7.317 1.00 0.00 C ATOM 192 O GLY A 17 8.095 -3.565 8.188 1.00 0.00 O ATOM 0 H GLY A 17 8.250 -5.645 5.747 1.00 0.00 H new ATOM 0 HA2 GLY A 17 9.860 -4.058 5.755 1.00 0.00 H new ATOM 0 HA3 GLY A 17 8.709 -2.864 5.188 1.00 0.00 H new ATOM 196 N ASP A 18 9.531 -1.964 7.526 1.00 0.00 N ATOM 197 CA ASP A 18 9.553 -1.297 8.822 1.00 0.00 C ATOM 198 C ASP A 18 8.588 -0.115 8.840 1.00 0.00 C ATOM 199 O ASP A 18 8.890 0.938 9.403 1.00 0.00 O ATOM 200 CB ASP A 18 10.969 -0.821 9.152 1.00 0.00 C ATOM 201 CG ASP A 18 11.077 -0.254 10.554 1.00 0.00 C ATOM 202 OD1 ASP A 18 11.159 -1.051 11.513 1.00 0.00 O ATOM 203 OD2 ASP A 18 11.080 0.987 10.694 1.00 0.00 O ATOM 0 H ASP A 18 10.117 -1.526 6.815 1.00 0.00 H new ATOM 0 HA ASP A 18 9.235 -2.015 9.578 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.663 -1.654 9.046 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.271 -0.061 8.431 1.00 0.00 H new ATOM 208 N PHE A 19 7.425 -0.298 8.223 1.00 0.00 N ATOM 209 CA PHE A 19 6.415 0.753 8.169 1.00 0.00 C ATOM 210 C PHE A 19 5.353 0.541 9.244 1.00 0.00 C ATOM 211 O PHE A 19 5.159 -0.574 9.726 1.00 0.00 O ATOM 212 CB PHE A 19 5.759 0.787 6.787 1.00 0.00 C ATOM 213 CG PHE A 19 6.738 0.962 5.661 1.00 0.00 C ATOM 214 CD1 PHE A 19 7.202 2.221 5.316 1.00 0.00 C ATOM 215 CD2 PHE A 19 7.193 -0.134 4.944 1.00 0.00 C ATOM 216 CE1 PHE A 19 8.103 2.384 4.280 1.00 0.00 C ATOM 217 CE2 PHE A 19 8.094 0.023 3.907 1.00 0.00 C ATOM 218 CZ PHE A 19 8.548 1.284 3.575 1.00 0.00 C ATOM 0 H PHE A 19 7.159 -1.164 7.754 1.00 0.00 H new ATOM 0 HA PHE A 19 6.908 1.708 8.353 1.00 0.00 H new ATOM 0 HB2 PHE A 19 5.204 -0.139 6.634 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.035 1.601 6.758 1.00 0.00 H new ATOM 0 HD1 PHE A 19 6.856 3.086 5.863 1.00 0.00 H new ATOM 0 HD2 PHE A 19 6.839 -1.122 5.199 1.00 0.00 H new ATOM 0 HE1 PHE A 19 8.458 3.371 4.023 1.00 0.00 H new ATOM 0 HE2 PHE A 19 8.442 -0.839 3.358 1.00 0.00 H new ATOM 0 HZ PHE A 19 9.251 1.409 2.764 1.00 0.00 H new ATOM 228 N VAL A 20 4.669 1.619 9.613 1.00 0.00 N ATOM 229 CA VAL A 20 3.628 1.549 10.631 1.00 0.00 C ATOM 230 C VAL A 20 2.450 2.450 10.275 1.00 0.00 C ATOM 231 O VAL A 20 2.458 3.122 9.245 1.00 0.00 O ATOM 232 CB VAL A 20 4.168 1.955 12.016 1.00 0.00 C ATOM 233 CG1 VAL A 20 5.089 0.879 12.567 1.00 0.00 C ATOM 234 CG2 VAL A 20 4.886 3.293 11.938 1.00 0.00 C ATOM 0 H VAL A 20 4.817 2.550 9.223 1.00 0.00 H new ATOM 0 HA VAL A 20 3.292 0.513 10.669 1.00 0.00 H new ATOM 0 HB VAL A 20 3.324 2.061 12.697 1.00 0.00 H new ATOM 0 HG11 VAL A 20 5.460 1.184 13.545 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.538 -0.057 12.663 1.00 0.00 H new ATOM 0 HG13 VAL A 20 5.930 0.737 11.888 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.260 3.563 12.925 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.721 3.218 11.241 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.192 4.059 11.591 1.00 0.00 H new ATOM 244 N VAL A 21 1.436 2.458 11.136 1.00 0.00 N ATOM 245 CA VAL A 21 0.250 3.276 10.911 1.00 0.00 C ATOM 246 C VAL A 21 0.487 4.717 11.351 1.00 0.00 C ATOM 247 O VAL A 21 0.720 4.986 12.528 1.00 0.00 O ATOM 248 CB VAL A 21 -0.971 2.716 11.664 1.00 0.00 C ATOM 249 CG1 VAL A 21 -2.235 3.460 11.262 1.00 0.00 C ATOM 250 CG2 VAL A 21 -1.119 1.224 11.410 1.00 0.00 C ATOM 0 H VAL A 21 1.413 1.908 11.995 1.00 0.00 H new ATOM 0 HA VAL A 21 0.048 3.253 9.840 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.814 2.865 12.732 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.087 3.050 11.805 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.127 4.518 11.502 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.399 3.346 10.190 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.987 0.847 11.951 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.252 1.048 10.343 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.224 0.706 11.755 1.00 0.00 H new ATOM 260 N GLY A 22 0.424 5.639 10.396 1.00 0.00 N ATOM 261 CA GLY A 22 0.635 7.041 10.704 1.00 0.00 C ATOM 262 C GLY A 22 2.017 7.520 10.304 1.00 0.00 C ATOM 263 O GLY A 22 2.704 8.179 11.084 1.00 0.00 O ATOM 0 H GLY A 22 0.231 5.440 9.414 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.117 7.640 10.190 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.494 7.200 11.773 1.00 0.00 H new ATOM 267 N GLU A 23 2.426 7.185 9.085 1.00 0.00 N ATOM 268 CA GLU A 23 3.734 7.582 8.580 1.00 0.00 C ATOM 269 C GLU A 23 3.674 7.877 7.085 1.00 0.00 C ATOM 270 O GLU A 23 3.165 7.072 6.304 1.00 0.00 O ATOM 271 CB GLU A 23 4.764 6.484 8.855 1.00 0.00 C ATOM 272 CG GLU A 23 4.266 5.086 8.526 1.00 0.00 C ATOM 273 CD GLU A 23 5.090 4.410 7.448 1.00 0.00 C ATOM 274 OE1 GLU A 23 6.334 4.522 7.495 1.00 0.00 O ATOM 275 OE2 GLU A 23 4.493 3.771 6.558 1.00 0.00 O ATOM 0 H GLU A 23 1.869 6.639 8.428 1.00 0.00 H new ATOM 0 HA GLU A 23 4.036 8.492 9.099 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.663 6.687 8.273 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.050 6.521 9.906 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.286 4.476 9.429 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.227 5.142 8.202 1.00 0.00 H new ATOM 282 N ARG A 24 4.197 9.034 6.693 1.00 0.00 N ATOM 283 CA ARG A 24 4.203 9.436 5.292 1.00 0.00 C ATOM 284 C ARG A 24 5.198 8.602 4.490 1.00 0.00 C ATOM 285 O ARG A 24 6.405 8.663 4.726 1.00 0.00 O ATOM 286 CB ARG A 24 4.546 10.921 5.167 1.00 0.00 C ATOM 287 CG ARG A 24 3.521 11.839 5.812 1.00 0.00 C ATOM 288 CD ARG A 24 2.370 12.143 4.865 1.00 0.00 C ATOM 289 NE ARG A 24 2.733 13.148 3.869 1.00 0.00 N ATOM 290 CZ ARG A 24 2.770 14.456 4.116 1.00 0.00 C ATOM 291 NH1 ARG A 24 2.470 14.920 5.322 1.00 0.00 N ATOM 292 NH2 ARG A 24 3.109 15.303 3.152 1.00 0.00 N ATOM 0 H ARG A 24 4.623 9.710 7.327 1.00 0.00 H new ATOM 0 HA ARG A 24 3.205 9.266 4.887 1.00 0.00 H new ATOM 0 HB2 ARG A 24 5.520 11.100 5.623 1.00 0.00 H new ATOM 0 HB3 ARG A 24 4.637 11.177 4.111 1.00 0.00 H new ATOM 0 HG2 ARG A 24 3.134 11.374 6.719 1.00 0.00 H new ATOM 0 HG3 ARG A 24 4.002 12.770 6.112 1.00 0.00 H new ATOM 0 HD2 ARG A 24 2.064 11.227 4.361 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.512 12.494 5.438 1.00 0.00 H new ATOM 0 HE ARG A 24 2.972 12.829 2.930 1.00 0.00 H new ATOM 0 HH11 ARG A 24 2.209 14.274 6.067 1.00 0.00 H new ATOM 0 HH12 ARG A 24 2.500 15.923 5.505 1.00 0.00 H new ATOM 0 HH21 ARG A 24 3.341 14.952 2.223 1.00 0.00 H new ATOM 0 HH22 ARG A 24 3.138 16.305 3.340 1.00 0.00 H new ATOM 306 N VAL A 25 4.684 7.824 3.544 1.00 0.00 N ATOM 307 CA VAL A 25 5.527 6.978 2.708 1.00 0.00 C ATOM 308 C VAL A 25 5.230 7.199 1.228 1.00 0.00 C ATOM 309 O VAL A 25 4.070 7.289 0.825 1.00 0.00 O ATOM 310 CB VAL A 25 5.335 5.488 3.042 1.00 0.00 C ATOM 311 CG1 VAL A 25 5.817 5.189 4.453 1.00 0.00 C ATOM 312 CG2 VAL A 25 3.877 5.086 2.873 1.00 0.00 C ATOM 0 H VAL A 25 3.687 7.762 3.337 1.00 0.00 H new ATOM 0 HA VAL A 25 6.560 7.258 2.915 1.00 0.00 H new ATOM 0 HB VAL A 25 5.934 4.900 2.347 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.673 4.131 4.670 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.876 5.435 4.536 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.249 5.786 5.166 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.761 4.029 3.114 1.00 0.00 H new ATOM 0 HG22 VAL A 25 3.256 5.681 3.542 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.569 5.259 1.842 1.00 0.00 H new ATOM 322 N TRP A 26 6.285 7.284 0.424 1.00 0.00 N ATOM 323 CA TRP A 26 6.137 7.494 -1.012 1.00 0.00 C ATOM 324 C TRP A 26 5.909 6.171 -1.737 1.00 0.00 C ATOM 325 O TRP A 26 6.752 5.274 -1.692 1.00 0.00 O ATOM 326 CB TRP A 26 7.375 8.193 -1.577 1.00 0.00 C ATOM 327 CG TRP A 26 7.331 9.684 -1.440 1.00 0.00 C ATOM 328 CD1 TRP A 26 7.219 10.598 -2.449 1.00 0.00 C ATOM 329 CD2 TRP A 26 7.399 10.436 -0.223 1.00 0.00 C ATOM 330 NE1 TRP A 26 7.212 11.871 -1.933 1.00 0.00 N ATOM 331 CE2 TRP A 26 7.322 11.798 -0.569 1.00 0.00 C ATOM 332 CE3 TRP A 26 7.517 10.089 1.126 1.00 0.00 C ATOM 333 CZ2 TRP A 26 7.359 12.812 0.385 1.00 0.00 C ATOM 334 CZ3 TRP A 26 7.555 11.097 2.072 1.00 0.00 C ATOM 335 CH2 TRP A 26 7.476 12.444 1.698 1.00 0.00 C ATOM 0 H TRP A 26 7.251 7.211 0.742 1.00 0.00 H new ATOM 0 HA TRP A 26 5.265 8.129 -1.172 1.00 0.00 H new ATOM 0 HB2 TRP A 26 8.261 7.815 -1.067 1.00 0.00 H new ATOM 0 HB3 TRP A 26 7.479 7.935 -2.631 1.00 0.00 H new ATOM 0 HD1 TRP A 26 7.147 10.355 -3.499 1.00 0.00 H new ATOM 0 HE1 TRP A 26 7.137 12.731 -2.477 1.00 0.00 H new ATOM 0 HE3 TRP A 26 7.577 9.053 1.424 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 7.298 13.852 0.099 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 7.647 10.841 3.117 1.00 0.00 H new ATOM 0 HH2 TRP A 26 7.508 13.208 2.461 1.00 0.00 H new ATOM 346 N VAL A 27 4.766 6.056 -2.403 1.00 0.00 N ATOM 347 CA VAL A 27 4.426 4.843 -3.137 1.00 0.00 C ATOM 348 C VAL A 27 5.032 4.858 -4.536 1.00 0.00 C ATOM 349 O VAL A 27 4.658 5.677 -5.377 1.00 0.00 O ATOM 350 CB VAL A 27 2.900 4.665 -3.253 1.00 0.00 C ATOM 351 CG1 VAL A 27 2.564 3.312 -3.861 1.00 0.00 C ATOM 352 CG2 VAL A 27 2.238 4.830 -1.893 1.00 0.00 C ATOM 0 H VAL A 27 4.058 6.789 -2.450 1.00 0.00 H new ATOM 0 HA VAL A 27 4.840 4.007 -2.574 1.00 0.00 H new ATOM 0 HB VAL A 27 2.511 5.439 -3.915 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.482 3.205 -3.935 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.004 3.241 -4.856 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.965 2.519 -3.229 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.160 4.701 -1.995 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.630 4.081 -1.204 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.449 5.826 -1.504 1.00 0.00 H new ATOM 362 N ASN A 28 5.969 3.947 -4.780 1.00 0.00 N ATOM 363 CA ASN A 28 6.627 3.853 -6.078 1.00 0.00 C ATOM 364 C ASN A 28 7.318 5.167 -6.437 1.00 0.00 C ATOM 365 O ASN A 28 7.454 5.507 -7.611 1.00 0.00 O ATOM 366 CB ASN A 28 5.610 3.482 -7.162 1.00 0.00 C ATOM 367 CG ASN A 28 5.983 2.207 -7.894 1.00 0.00 C ATOM 368 OD1 ASN A 28 7.096 1.699 -7.754 1.00 0.00 O ATOM 369 ND2 ASN A 28 5.051 1.683 -8.682 1.00 0.00 N ATOM 0 H ASN A 28 6.290 3.263 -4.095 1.00 0.00 H new ATOM 0 HA ASN A 28 7.385 3.072 -6.018 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.626 3.362 -6.708 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.533 4.300 -7.879 1.00 0.00 H new ATOM 0 HD21 ASN A 28 5.244 0.826 -9.201 1.00 0.00 H new ATOM 0 HD22 ASN A 28 4.142 2.137 -8.768 1.00 0.00 H new ATOM 376 N GLY A 29 7.752 5.899 -5.416 1.00 0.00 N ATOM 377 CA GLY A 29 8.423 7.165 -5.645 1.00 0.00 C ATOM 378 C GLY A 29 7.555 8.153 -6.401 1.00 0.00 C ATOM 379 O GLY A 29 8.065 9.024 -7.106 1.00 0.00 O ATOM 0 H GLY A 29 7.651 5.638 -4.435 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.712 7.598 -4.687 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.341 6.990 -6.205 1.00 0.00 H new ATOM 383 N VAL A 30 6.241 8.017 -6.255 1.00 0.00 N ATOM 384 CA VAL A 30 5.301 8.904 -6.930 1.00 0.00 C ATOM 385 C VAL A 30 4.826 10.014 -5.998 1.00 0.00 C ATOM 386 O VAL A 30 5.106 11.191 -6.225 1.00 0.00 O ATOM 387 CB VAL A 30 4.076 8.131 -7.455 1.00 0.00 C ATOM 388 CG1 VAL A 30 3.210 9.028 -8.325 1.00 0.00 C ATOM 389 CG2 VAL A 30 4.515 6.894 -8.223 1.00 0.00 C ATOM 0 H VAL A 30 5.803 7.301 -5.675 1.00 0.00 H new ATOM 0 HA VAL A 30 5.832 9.344 -7.774 1.00 0.00 H new ATOM 0 HB VAL A 30 3.480 7.808 -6.601 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.350 8.464 -8.686 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.865 9.880 -7.739 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.793 9.384 -9.174 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.637 6.361 -8.586 1.00 0.00 H new ATOM 0 HG22 VAL A 30 5.134 7.192 -9.069 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.089 6.242 -7.565 1.00 0.00 H new ATOM 399 N LYS A 31 4.105 9.630 -4.949 1.00 0.00 N ATOM 400 CA LYS A 31 3.591 10.592 -3.982 1.00 0.00 C ATOM 401 C LYS A 31 3.439 9.952 -2.604 1.00 0.00 C ATOM 402 O LYS A 31 3.182 8.753 -2.493 1.00 0.00 O ATOM 403 CB LYS A 31 2.244 11.147 -4.451 1.00 0.00 C ATOM 404 CG LYS A 31 2.361 12.436 -5.247 1.00 0.00 C ATOM 405 CD LYS A 31 1.084 13.256 -5.171 1.00 0.00 C ATOM 406 CE LYS A 31 0.166 12.969 -6.347 1.00 0.00 C ATOM 407 NZ LYS A 31 -0.579 14.183 -6.781 1.00 0.00 N ATOM 0 H LYS A 31 3.864 8.660 -4.748 1.00 0.00 H new ATOM 0 HA LYS A 31 4.307 11.410 -3.905 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.744 10.396 -5.063 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.610 11.323 -3.582 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.196 13.025 -4.867 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.583 12.203 -6.288 1.00 0.00 H new ATOM 0 HD2 LYS A 31 0.563 13.035 -4.239 1.00 0.00 H new ATOM 0 HD3 LYS A 31 1.333 14.317 -5.153 1.00 0.00 H new ATOM 0 HE2 LYS A 31 0.754 12.587 -7.181 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.542 12.188 -6.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -1.194 13.944 -7.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -1.160 14.534 -5.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 0.096 14.920 -7.068 1.00 0.00 H new ATOM 421 N PRO A 32 3.598 10.746 -1.531 1.00 0.00 N ATOM 422 CA PRO A 32 3.477 10.250 -0.157 1.00 0.00 C ATOM 423 C PRO A 32 2.033 9.939 0.222 1.00 0.00 C ATOM 424 O PRO A 32 1.102 10.288 -0.504 1.00 0.00 O ATOM 425 CB PRO A 32 4.013 11.408 0.685 1.00 0.00 C ATOM 426 CG PRO A 32 3.760 12.622 -0.141 1.00 0.00 C ATOM 427 CD PRO A 32 3.907 12.189 -1.574 1.00 0.00 C ATOM 0 HA PRO A 32 4.016 9.314 -0.012 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.502 11.469 1.646 1.00 0.00 H new ATOM 0 HB3 PRO A 32 5.075 11.286 0.896 1.00 0.00 H new ATOM 0 HG2 PRO A 32 2.762 13.020 0.046 1.00 0.00 H new ATOM 0 HG3 PRO A 32 4.469 13.413 0.102 1.00 0.00 H new ATOM 0 HD2 PRO A 32 3.221 12.727 -2.228 1.00 0.00 H new ATOM 0 HD3 PRO A 32 4.914 12.373 -1.948 1.00 0.00 H new ATOM 435 N GLY A 33 1.854 9.281 1.363 1.00 0.00 N ATOM 436 CA GLY A 33 0.520 8.935 1.818 1.00 0.00 C ATOM 437 C GLY A 33 0.509 8.423 3.244 1.00 0.00 C ATOM 438 O GLY A 33 1.422 7.713 3.663 1.00 0.00 O ATOM 0 H GLY A 33 2.609 8.981 1.980 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.124 9.811 1.745 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.100 8.175 1.159 1.00 0.00 H new ATOM 442 N VAL A 34 -0.530 8.784 3.991 1.00 0.00 N ATOM 443 CA VAL A 34 -0.657 8.356 5.379 1.00 0.00 C ATOM 444 C VAL A 34 -1.098 6.899 5.468 1.00 0.00 C ATOM 445 O VAL A 34 -2.211 6.552 5.070 1.00 0.00 O ATOM 446 CB VAL A 34 -1.664 9.233 6.147 1.00 0.00 C ATOM 447 CG1 VAL A 34 -1.636 8.906 7.632 1.00 0.00 C ATOM 448 CG2 VAL A 34 -1.375 10.708 5.913 1.00 0.00 C ATOM 0 H VAL A 34 -1.295 9.371 3.658 1.00 0.00 H new ATOM 0 HA VAL A 34 0.328 8.463 5.834 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.664 9.018 5.771 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.354 9.536 8.157 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.897 7.858 7.779 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.636 9.089 8.026 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.096 11.312 6.463 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.368 10.941 6.259 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.453 10.930 4.849 1.00 0.00 H new ATOM 458 N VAL A 35 -0.219 6.051 5.991 1.00 0.00 N ATOM 459 CA VAL A 35 -0.519 4.631 6.131 1.00 0.00 C ATOM 460 C VAL A 35 -1.569 4.396 7.210 1.00 0.00 C ATOM 461 O VAL A 35 -1.396 4.802 8.359 1.00 0.00 O ATOM 462 CB VAL A 35 0.744 3.821 6.476 1.00 0.00 C ATOM 463 CG1 VAL A 35 0.454 2.328 6.421 1.00 0.00 C ATOM 464 CG2 VAL A 35 1.885 4.183 5.538 1.00 0.00 C ATOM 0 H VAL A 35 0.706 6.322 6.325 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.906 4.294 5.170 1.00 0.00 H new ATOM 0 HB VAL A 35 1.046 4.072 7.493 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.359 1.772 6.668 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.329 2.083 7.138 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.125 2.058 5.418 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.769 3.600 5.798 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.595 3.964 4.510 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.110 5.245 5.632 1.00 0.00 H new ATOM 474 N GLN A 36 -2.660 3.735 6.833 1.00 0.00 N ATOM 475 CA GLN A 36 -3.740 3.446 7.769 1.00 0.00 C ATOM 476 C GLN A 36 -3.795 1.956 8.092 1.00 0.00 C ATOM 477 O GLN A 36 -3.779 1.563 9.259 1.00 0.00 O ATOM 478 CB GLN A 36 -5.079 3.907 7.193 1.00 0.00 C ATOM 479 CG GLN A 36 -5.426 5.346 7.536 1.00 0.00 C ATOM 480 CD GLN A 36 -5.826 5.519 8.988 1.00 0.00 C ATOM 481 OE1 GLN A 36 -7.001 5.408 9.337 1.00 0.00 O ATOM 482 NE2 GLN A 36 -4.848 5.791 9.843 1.00 0.00 N ATOM 0 H GLN A 36 -2.819 3.390 5.886 1.00 0.00 H new ATOM 0 HA GLN A 36 -3.544 3.992 8.692 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -5.056 3.796 6.109 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -5.869 3.253 7.564 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -4.569 5.984 7.321 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.242 5.682 6.896 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -3.888 5.874 9.510 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -5.057 5.917 10.833 1.00 0.00 H new ATOM 491 N TYR A 37 -3.859 1.131 7.052 1.00 0.00 N ATOM 492 CA TYR A 37 -3.914 -0.315 7.226 1.00 0.00 C ATOM 493 C TYR A 37 -2.605 -0.966 6.794 1.00 0.00 C ATOM 494 O TYR A 37 -1.899 -0.449 5.929 1.00 0.00 O ATOM 495 CB TYR A 37 -5.078 -0.903 6.426 1.00 0.00 C ATOM 496 CG TYR A 37 -5.410 -2.330 6.800 1.00 0.00 C ATOM 497 CD1 TYR A 37 -6.233 -2.610 7.885 1.00 0.00 C ATOM 498 CD2 TYR A 37 -4.903 -3.397 6.068 1.00 0.00 C ATOM 499 CE1 TYR A 37 -6.539 -3.913 8.230 1.00 0.00 C ATOM 500 CE2 TYR A 37 -5.205 -4.702 6.408 1.00 0.00 C ATOM 501 CZ TYR A 37 -6.023 -4.955 7.488 1.00 0.00 C ATOM 502 OH TYR A 37 -6.326 -6.253 7.829 1.00 0.00 O ATOM 0 H TYR A 37 -3.874 1.440 6.080 1.00 0.00 H new ATOM 0 HA TYR A 37 -4.069 -0.522 8.285 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.961 -0.282 6.576 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -4.836 -0.862 5.364 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -6.640 -1.797 8.467 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -4.263 -3.203 5.220 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -7.179 -4.114 9.076 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -4.802 -5.520 5.830 1.00 0.00 H new ATOM 0 HH TYR A 37 -5.884 -6.867 7.206 1.00 0.00 H new ATOM 512 N LEU A 38 -2.286 -2.104 7.403 1.00 0.00 N ATOM 513 CA LEU A 38 -1.061 -2.825 7.081 1.00 0.00 C ATOM 514 C LEU A 38 -1.257 -4.330 7.239 1.00 0.00 C ATOM 515 O LEU A 38 -1.544 -4.817 8.332 1.00 0.00 O ATOM 516 CB LEU A 38 0.086 -2.351 7.976 1.00 0.00 C ATOM 517 CG LEU A 38 0.619 -0.953 7.659 1.00 0.00 C ATOM 518 CD1 LEU A 38 1.487 -0.442 8.798 1.00 0.00 C ATOM 519 CD2 LEU A 38 1.401 -0.965 6.355 1.00 0.00 C ATOM 0 H LEU A 38 -2.859 -2.546 8.122 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.810 -2.617 6.041 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.251 -2.368 9.012 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.907 -3.063 7.896 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.229 -0.278 7.545 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.857 0.554 8.555 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.897 -0.396 9.713 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.330 -1.117 8.944 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.773 0.038 6.145 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.242 -1.653 6.441 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.750 -1.288 5.543 1.00 0.00 H new ATOM 531 N GLY A 39 -1.100 -5.060 6.140 1.00 0.00 N ATOM 532 CA GLY A 39 -1.265 -6.500 6.177 1.00 0.00 C ATOM 533 C GLY A 39 -1.772 -7.060 4.863 1.00 0.00 C ATOM 534 O GLY A 39 -1.995 -6.316 3.908 1.00 0.00 O ATOM 0 H GLY A 39 -0.861 -4.679 5.224 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.311 -6.966 6.423 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.962 -6.762 6.973 1.00 0.00 H new ATOM 538 N GLU A 40 -1.952 -8.377 4.813 1.00 0.00 N ATOM 539 CA GLU A 40 -2.434 -9.036 3.605 1.00 0.00 C ATOM 540 C GLU A 40 -3.894 -8.681 3.336 1.00 0.00 C ATOM 541 O GLU A 40 -4.757 -8.867 4.193 1.00 0.00 O ATOM 542 CB GLU A 40 -2.283 -10.554 3.734 1.00 0.00 C ATOM 543 CG GLU A 40 -0.956 -11.078 3.207 1.00 0.00 C ATOM 544 CD GLU A 40 -0.119 -11.737 4.285 1.00 0.00 C ATOM 545 OE1 GLU A 40 0.300 -11.031 5.227 1.00 0.00 O ATOM 546 OE2 GLU A 40 0.119 -12.959 4.190 1.00 0.00 O ATOM 0 H GLU A 40 -1.771 -9.007 5.594 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.833 -8.686 2.766 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.384 -10.834 4.783 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.096 -11.039 3.195 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -1.145 -11.796 2.409 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.393 -10.254 2.768 1.00 0.00 H new ATOM 553 N THR A 41 -4.160 -8.167 2.139 1.00 0.00 N ATOM 554 CA THR A 41 -5.515 -7.785 1.756 1.00 0.00 C ATOM 555 C THR A 41 -6.349 -9.015 1.411 1.00 0.00 C ATOM 556 O THR A 41 -5.873 -10.146 1.507 1.00 0.00 O ATOM 557 CB THR A 41 -5.479 -6.828 0.565 1.00 0.00 C ATOM 558 OG1 THR A 41 -4.625 -7.324 -0.452 1.00 0.00 O ATOM 559 CG2 THR A 41 -5.001 -5.438 0.928 1.00 0.00 C ATOM 0 H THR A 41 -3.456 -8.006 1.419 1.00 0.00 H new ATOM 0 HA THR A 41 -5.978 -7.281 2.604 1.00 0.00 H new ATOM 0 HB THR A 41 -6.510 -6.761 0.217 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.807 -6.785 -0.484 1.00 0.00 H new ATOM 0 HG21 THR A 41 -4.999 -4.810 0.037 1.00 0.00 H new ATOM 0 HG22 THR A 41 -5.668 -5.007 1.675 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.991 -5.495 1.334 1.00 0.00 H new ATOM 567 N GLN A 42 -7.596 -8.786 1.009 1.00 0.00 N ATOM 568 CA GLN A 42 -8.495 -9.877 0.651 1.00 0.00 C ATOM 569 C GLN A 42 -8.738 -9.911 -0.854 1.00 0.00 C ATOM 570 O GLN A 42 -8.936 -10.977 -1.437 1.00 0.00 O ATOM 571 CB GLN A 42 -9.825 -9.732 1.392 1.00 0.00 C ATOM 572 CG GLN A 42 -9.823 -10.368 2.773 1.00 0.00 C ATOM 573 CD GLN A 42 -10.091 -11.859 2.730 1.00 0.00 C ATOM 574 OE1 GLN A 42 -9.308 -12.656 3.246 1.00 0.00 O ATOM 575 NE2 GLN A 42 -11.200 -12.244 2.110 1.00 0.00 N ATOM 0 H GLN A 42 -8.006 -7.856 0.923 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.024 -10.815 0.945 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -10.064 -8.673 1.489 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -10.616 -10.184 0.794 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -8.859 -10.190 3.249 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -10.579 -9.885 3.392 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -11.821 -11.548 1.696 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -11.431 -13.235 2.047 1.00 0.00 H new ATOM 584 N PHE A 43 -8.722 -8.738 -1.479 1.00 0.00 N ATOM 585 CA PHE A 43 -8.942 -8.637 -2.917 1.00 0.00 C ATOM 586 C PHE A 43 -7.829 -9.339 -3.689 1.00 0.00 C ATOM 587 O PHE A 43 -8.052 -9.859 -4.782 1.00 0.00 O ATOM 588 CB PHE A 43 -9.027 -7.168 -3.340 1.00 0.00 C ATOM 589 CG PHE A 43 -7.741 -6.413 -3.159 1.00 0.00 C ATOM 590 CD1 PHE A 43 -6.743 -6.478 -4.117 1.00 0.00 C ATOM 591 CD2 PHE A 43 -7.530 -5.638 -2.030 1.00 0.00 C ATOM 592 CE1 PHE A 43 -5.558 -5.784 -3.955 1.00 0.00 C ATOM 593 CE2 PHE A 43 -6.348 -4.942 -1.860 1.00 0.00 C ATOM 594 CZ PHE A 43 -5.361 -5.015 -2.825 1.00 0.00 C ATOM 0 H PHE A 43 -8.559 -7.845 -1.013 1.00 0.00 H new ATOM 0 HA PHE A 43 -9.886 -9.129 -3.150 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.324 -7.117 -4.388 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -9.811 -6.677 -2.763 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -6.892 -7.079 -5.002 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -8.298 -5.577 -1.274 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.788 -5.843 -4.710 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -6.196 -4.342 -0.975 1.00 0.00 H new ATOM 0 HZ PHE A 43 -4.437 -4.471 -2.695 1.00 0.00 H new ATOM 604 N ALA A 44 -6.631 -9.348 -3.114 1.00 0.00 N ATOM 605 CA ALA A 44 -5.484 -9.987 -3.749 1.00 0.00 C ATOM 606 C ALA A 44 -4.505 -10.521 -2.707 1.00 0.00 C ATOM 607 O ALA A 44 -4.398 -9.978 -1.607 1.00 0.00 O ATOM 608 CB ALA A 44 -4.785 -9.007 -4.680 1.00 0.00 C ATOM 0 H ALA A 44 -6.429 -8.920 -2.210 1.00 0.00 H new ATOM 0 HA ALA A 44 -5.847 -10.832 -4.334 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.931 -9.496 -5.148 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.482 -8.678 -5.451 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.442 -8.144 -4.109 1.00 0.00 H new ATOM 614 N PRO A 45 -3.773 -11.598 -3.042 1.00 0.00 N ATOM 615 CA PRO A 45 -2.799 -12.205 -2.130 1.00 0.00 C ATOM 616 C PRO A 45 -1.574 -11.322 -1.920 1.00 0.00 C ATOM 617 O PRO A 45 -1.533 -10.179 -2.377 1.00 0.00 O ATOM 618 CB PRO A 45 -2.406 -13.502 -2.840 1.00 0.00 C ATOM 619 CG PRO A 45 -2.656 -13.234 -4.283 1.00 0.00 C ATOM 620 CD PRO A 45 -3.839 -12.307 -4.334 1.00 0.00 C ATOM 0 HA PRO A 45 -3.215 -12.358 -1.134 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -1.360 -13.751 -2.659 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -3.001 -14.344 -2.485 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -1.784 -12.779 -4.752 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -2.862 -14.159 -4.822 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -3.773 -11.617 -5.175 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -4.775 -12.855 -4.444 1.00 0.00 H new ATOM 628 N GLY A 46 -0.576 -11.858 -1.224 1.00 0.00 N ATOM 629 CA GLY A 46 0.637 -11.105 -0.966 1.00 0.00 C ATOM 630 C GLY A 46 0.439 -10.028 0.081 1.00 0.00 C ATOM 631 O GLY A 46 -0.679 -9.802 0.546 1.00 0.00 O ATOM 0 H GLY A 46 -0.586 -12.801 -0.834 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.421 -11.787 -0.637 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.981 -10.647 -1.893 1.00 0.00 H new ATOM 635 N GLN A 47 1.527 -9.361 0.455 1.00 0.00 N ATOM 636 CA GLN A 47 1.468 -8.301 1.455 1.00 0.00 C ATOM 637 C GLN A 47 0.900 -7.018 0.855 1.00 0.00 C ATOM 638 O GLN A 47 1.100 -6.731 -0.325 1.00 0.00 O ATOM 639 CB GLN A 47 2.861 -8.037 2.030 1.00 0.00 C ATOM 640 CG GLN A 47 3.382 -9.166 2.903 1.00 0.00 C ATOM 641 CD GLN A 47 2.676 -9.243 4.242 1.00 0.00 C ATOM 642 OE1 GLN A 47 1.669 -8.571 4.465 1.00 0.00 O ATOM 643 NE2 GLN A 47 3.203 -10.064 5.143 1.00 0.00 N ATOM 0 H GLN A 47 2.459 -9.536 0.081 1.00 0.00 H new ATOM 0 HA GLN A 47 0.807 -8.628 2.258 1.00 0.00 H new ATOM 0 HB2 GLN A 47 3.559 -7.872 1.209 1.00 0.00 H new ATOM 0 HB3 GLN A 47 2.835 -7.118 2.616 1.00 0.00 H new ATOM 0 HG2 GLN A 47 3.259 -10.113 2.377 1.00 0.00 H new ATOM 0 HG3 GLN A 47 4.451 -9.029 3.068 1.00 0.00 H new ATOM 0 HE21 GLN A 47 4.039 -10.602 4.915 1.00 0.00 H new ATOM 0 HE22 GLN A 47 2.772 -10.156 6.063 1.00 0.00 H new ATOM 652 N TRP A 48 0.190 -6.251 1.676 1.00 0.00 N ATOM 653 CA TRP A 48 -0.407 -4.999 1.225 1.00 0.00 C ATOM 654 C TRP A 48 -0.392 -3.956 2.339 1.00 0.00 C ATOM 655 O TRP A 48 -0.450 -4.295 3.521 1.00 0.00 O ATOM 656 CB TRP A 48 -1.844 -5.237 0.756 1.00 0.00 C ATOM 657 CG TRP A 48 -1.929 -5.831 -0.617 1.00 0.00 C ATOM 658 CD1 TRP A 48 -1.930 -7.157 -0.935 1.00 0.00 C ATOM 659 CD2 TRP A 48 -2.024 -5.119 -1.856 1.00 0.00 C ATOM 660 NE1 TRP A 48 -2.019 -7.315 -2.297 1.00 0.00 N ATOM 661 CE2 TRP A 48 -2.079 -6.078 -2.885 1.00 0.00 C ATOM 662 CE3 TRP A 48 -2.068 -3.764 -2.195 1.00 0.00 C ATOM 663 CZ2 TRP A 48 -2.176 -5.725 -4.228 1.00 0.00 C ATOM 664 CZ3 TRP A 48 -2.163 -3.414 -3.530 1.00 0.00 C ATOM 665 CH2 TRP A 48 -2.217 -4.392 -4.531 1.00 0.00 C ATOM 0 H TRP A 48 0.014 -6.474 2.656 1.00 0.00 H new ATOM 0 HA TRP A 48 0.185 -4.623 0.391 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -2.344 -5.899 1.462 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -2.384 -4.291 0.769 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -1.870 -7.965 -0.221 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -2.037 -8.208 -2.790 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -2.029 -3.004 -1.429 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -2.217 -6.476 -5.003 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -2.196 -2.370 -3.805 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -2.293 -4.087 -5.564 1.00 0.00 H new ATOM 676 N ALA A 49 -0.310 -2.687 1.953 1.00 0.00 N ATOM 677 CA ALA A 49 -0.286 -1.594 2.917 1.00 0.00 C ATOM 678 C ALA A 49 -1.227 -0.470 2.497 1.00 0.00 C ATOM 679 O ALA A 49 -0.968 0.239 1.524 1.00 0.00 O ATOM 680 CB ALA A 49 1.130 -1.066 3.080 1.00 0.00 C ATOM 0 H ALA A 49 -0.259 -2.390 0.978 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.631 -1.981 3.876 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.133 -0.250 3.803 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.779 -1.867 3.434 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.495 -0.702 2.120 1.00 0.00 H new ATOM 686 N GLY A 50 -2.321 -0.314 3.235 1.00 0.00 N ATOM 687 CA GLY A 50 -3.285 0.726 2.923 1.00 0.00 C ATOM 688 C GLY A 50 -2.751 2.116 3.206 1.00 0.00 C ATOM 689 O GLY A 50 -2.664 2.532 4.362 1.00 0.00 O ATOM 0 H GLY A 50 -2.558 -0.889 4.044 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.564 0.655 1.872 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.192 0.563 3.505 1.00 0.00 H new ATOM 693 N VAL A 51 -2.391 2.837 2.149 1.00 0.00 N ATOM 694 CA VAL A 51 -1.863 4.188 2.289 1.00 0.00 C ATOM 695 C VAL A 51 -2.876 5.225 1.814 1.00 0.00 C ATOM 696 O VAL A 51 -3.271 5.234 0.648 1.00 0.00 O ATOM 697 CB VAL A 51 -0.554 4.366 1.496 1.00 0.00 C ATOM 698 CG1 VAL A 51 0.067 5.725 1.786 1.00 0.00 C ATOM 699 CG2 VAL A 51 0.425 3.246 1.818 1.00 0.00 C ATOM 0 H VAL A 51 -2.456 2.507 1.186 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.660 4.340 3.349 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.788 4.318 0.432 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.990 5.832 1.217 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -0.630 6.512 1.498 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.286 5.805 2.851 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.343 3.390 1.248 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.654 3.258 2.884 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.020 2.287 1.553 1.00 0.00 H new ATOM 709 N VAL A 52 -3.294 6.098 2.725 1.00 0.00 N ATOM 710 CA VAL A 52 -4.261 7.139 2.400 1.00 0.00 C ATOM 711 C VAL A 52 -3.564 8.391 1.875 1.00 0.00 C ATOM 712 O VAL A 52 -2.992 9.163 2.643 1.00 0.00 O ATOM 713 CB VAL A 52 -5.114 7.516 3.625 1.00 0.00 C ATOM 714 CG1 VAL A 52 -6.243 8.452 3.223 1.00 0.00 C ATOM 715 CG2 VAL A 52 -5.661 6.268 4.299 1.00 0.00 C ATOM 0 H VAL A 52 -2.978 6.105 3.695 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.912 6.735 1.624 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.478 8.038 4.340 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.835 8.707 4.102 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.825 9.361 2.790 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.879 7.960 2.488 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.261 6.554 5.163 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.281 5.715 3.593 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.833 5.638 4.625 1.00 0.00 H new ATOM 725 N LEU A 53 -3.616 8.584 0.561 1.00 0.00 N ATOM 726 CA LEU A 53 -2.990 9.742 -0.066 1.00 0.00 C ATOM 727 C LEU A 53 -3.626 11.038 0.426 1.00 0.00 C ATOM 728 O LEU A 53 -4.805 11.069 0.779 1.00 0.00 O ATOM 729 CB LEU A 53 -3.106 9.648 -1.590 1.00 0.00 C ATOM 730 CG LEU A 53 -2.359 8.475 -2.225 1.00 0.00 C ATOM 731 CD1 LEU A 53 -3.027 8.060 -3.527 1.00 0.00 C ATOM 732 CD2 LEU A 53 -0.901 8.841 -2.465 1.00 0.00 C ATOM 0 H LEU A 53 -4.085 7.954 -0.090 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.936 9.749 0.211 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.161 9.573 -1.855 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.733 10.575 -2.025 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.393 7.630 -1.537 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.482 7.224 -3.965 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.055 7.759 -3.328 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.023 8.900 -4.222 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.383 7.995 -2.917 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.847 9.700 -3.134 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.427 9.091 -1.515 1.00 0.00 H new ATOM 744 N ASP A 54 -2.837 12.108 0.445 1.00 0.00 N ATOM 745 CA ASP A 54 -3.322 13.407 0.894 1.00 0.00 C ATOM 746 C ASP A 54 -4.362 13.963 -0.073 1.00 0.00 C ATOM 747 O ASP A 54 -5.418 14.441 0.342 1.00 0.00 O ATOM 748 CB ASP A 54 -2.157 14.390 1.030 1.00 0.00 C ATOM 749 CG ASP A 54 -1.558 14.386 2.423 1.00 0.00 C ATOM 750 OD1 ASP A 54 -2.296 14.091 3.386 1.00 0.00 O ATOM 751 OD2 ASP A 54 -0.351 14.678 2.550 1.00 0.00 O ATOM 0 H ASP A 54 -1.859 12.100 0.155 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.793 13.275 1.868 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.384 14.136 0.304 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.503 15.395 0.789 1.00 0.00 H new ATOM 756 N ASP A 55 -4.055 13.898 -1.365 1.00 0.00 N ATOM 757 CA ASP A 55 -4.964 14.395 -2.392 1.00 0.00 C ATOM 758 C ASP A 55 -5.870 13.278 -2.905 1.00 0.00 C ATOM 759 O ASP A 55 -5.503 12.104 -2.866 1.00 0.00 O ATOM 760 CB ASP A 55 -4.173 14.998 -3.555 1.00 0.00 C ATOM 761 CG ASP A 55 -3.107 15.970 -3.088 1.00 0.00 C ATOM 762 OD1 ASP A 55 -3.445 16.901 -2.327 1.00 0.00 O ATOM 763 OD2 ASP A 55 -1.935 15.800 -3.482 1.00 0.00 O ATOM 0 H ASP A 55 -3.185 13.506 -1.725 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.588 15.169 -1.945 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.705 14.196 -4.126 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.858 15.511 -4.229 1.00 0.00 H new ATOM 768 N PRO A 56 -7.069 13.632 -3.398 1.00 0.00 N ATOM 769 CA PRO A 56 -8.025 12.652 -3.923 1.00 0.00 C ATOM 770 C PRO A 56 -7.560 12.044 -5.241 1.00 0.00 C ATOM 771 O PRO A 56 -8.193 12.226 -6.281 1.00 0.00 O ATOM 772 CB PRO A 56 -9.299 13.474 -4.129 1.00 0.00 C ATOM 773 CG PRO A 56 -8.821 14.870 -4.331 1.00 0.00 C ATOM 774 CD PRO A 56 -7.585 15.011 -3.486 1.00 0.00 C ATOM 0 HA PRO A 56 -8.156 11.805 -3.250 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -9.863 13.120 -4.992 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -9.960 13.403 -3.265 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -8.599 15.058 -5.381 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -9.582 15.590 -4.032 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -6.859 15.683 -3.945 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -7.816 15.417 -2.501 1.00 0.00 H new ATOM 782 N VAL A 57 -6.444 11.323 -5.190 1.00 0.00 N ATOM 783 CA VAL A 57 -5.889 10.689 -6.380 1.00 0.00 C ATOM 784 C VAL A 57 -5.515 9.236 -6.108 1.00 0.00 C ATOM 785 O VAL A 57 -4.582 8.702 -6.707 1.00 0.00 O ATOM 786 CB VAL A 57 -4.642 11.441 -6.882 1.00 0.00 C ATOM 787 CG1 VAL A 57 -5.017 12.829 -7.379 1.00 0.00 C ATOM 788 CG2 VAL A 57 -3.593 11.526 -5.784 1.00 0.00 C ATOM 0 H VAL A 57 -5.907 11.164 -4.338 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.663 10.723 -7.147 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.217 10.885 -7.718 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.122 13.344 -7.729 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.730 12.742 -8.199 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -5.468 13.397 -6.565 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.719 12.060 -6.156 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.006 12.058 -4.927 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.301 10.520 -5.481 1.00 0.00 H new ATOM 798 N GLY A 58 -6.250 8.601 -5.201 1.00 0.00 N ATOM 799 CA GLY A 58 -5.979 7.215 -4.865 1.00 0.00 C ATOM 800 C GLY A 58 -6.703 6.244 -5.778 1.00 0.00 C ATOM 801 O GLY A 58 -6.822 6.481 -6.980 1.00 0.00 O ATOM 0 H GLY A 58 -7.028 9.021 -4.693 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.906 7.033 -4.924 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.277 7.030 -3.833 1.00 0.00 H new ATOM 805 N LYS A 59 -7.187 5.147 -5.206 1.00 0.00 N ATOM 806 CA LYS A 59 -7.903 4.136 -5.975 1.00 0.00 C ATOM 807 C LYS A 59 -9.198 3.735 -5.276 1.00 0.00 C ATOM 808 O LYS A 59 -10.288 3.889 -5.829 1.00 0.00 O ATOM 809 CB LYS A 59 -7.021 2.903 -6.182 1.00 0.00 C ATOM 810 CG LYS A 59 -5.848 3.144 -7.118 1.00 0.00 C ATOM 811 CD LYS A 59 -6.059 2.472 -8.467 1.00 0.00 C ATOM 812 CE LYS A 59 -5.246 1.193 -8.586 1.00 0.00 C ATOM 813 NZ LYS A 59 -6.077 -0.019 -8.340 1.00 0.00 N ATOM 0 H LYS A 59 -7.096 4.935 -4.212 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.152 4.565 -6.946 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.642 2.572 -5.215 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.632 2.092 -6.580 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -5.712 4.216 -7.262 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.934 2.765 -6.661 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -7.117 2.246 -8.600 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -5.777 3.159 -9.265 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.805 1.135 -9.581 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.422 1.219 -7.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -5.486 -0.870 -8.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.478 0.024 -7.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -6.849 -0.058 -9.036 1.00 0.00 H new ATOM 827 N ASN A 60 -9.072 3.218 -4.058 1.00 0.00 N ATOM 828 CA ASN A 60 -10.233 2.794 -3.283 1.00 0.00 C ATOM 829 C ASN A 60 -10.691 3.897 -2.336 1.00 0.00 C ATOM 830 O ASN A 60 -10.121 4.988 -2.314 1.00 0.00 O ATOM 831 CB ASN A 60 -9.906 1.529 -2.488 1.00 0.00 C ATOM 832 CG ASN A 60 -9.897 0.286 -3.356 1.00 0.00 C ATOM 833 OD1 ASN A 60 -10.939 -0.152 -3.844 1.00 0.00 O ATOM 834 ND2 ASN A 60 -8.717 -0.291 -3.553 1.00 0.00 N ATOM 0 H ASN A 60 -8.178 3.083 -3.586 1.00 0.00 H new ATOM 0 HA ASN A 60 -11.043 2.580 -3.980 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -8.932 1.644 -2.013 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -10.638 1.406 -1.690 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -8.650 -1.131 -4.128 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.878 0.106 -3.129 1.00 0.00 H new ATOM 841 N ASP A 61 -11.724 3.605 -1.552 1.00 0.00 N ATOM 842 CA ASP A 61 -12.260 4.571 -0.600 1.00 0.00 C ATOM 843 C ASP A 61 -12.318 3.974 0.803 1.00 0.00 C ATOM 844 O ASP A 61 -13.245 4.244 1.566 1.00 0.00 O ATOM 845 CB ASP A 61 -13.654 5.025 -1.031 1.00 0.00 C ATOM 846 CG ASP A 61 -14.562 3.861 -1.377 1.00 0.00 C ATOM 847 OD1 ASP A 61 -14.332 3.219 -2.423 1.00 0.00 O ATOM 848 OD2 ASP A 61 -15.503 3.590 -0.601 1.00 0.00 O ATOM 0 H ASP A 61 -12.207 2.706 -1.557 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.595 5.434 -0.582 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -14.106 5.609 -0.230 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -13.567 5.683 -1.895 1.00 0.00 H new ATOM 853 N GLY A 62 -11.321 3.160 1.136 1.00 0.00 N ATOM 854 CA GLY A 62 -11.277 2.537 2.445 1.00 0.00 C ATOM 855 C GLY A 62 -11.804 1.116 2.430 1.00 0.00 C ATOM 856 O GLY A 62 -11.348 0.269 3.198 1.00 0.00 O ATOM 0 H GLY A 62 -10.543 2.921 0.522 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -10.250 2.536 2.809 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.863 3.131 3.146 1.00 0.00 H new ATOM 860 N ALA A 63 -12.767 0.853 1.552 1.00 0.00 N ATOM 861 CA ALA A 63 -13.357 -0.476 1.441 1.00 0.00 C ATOM 862 C ALA A 63 -13.158 -1.049 0.042 1.00 0.00 C ATOM 863 O ALA A 63 -13.686 -0.520 -0.937 1.00 0.00 O ATOM 864 CB ALA A 63 -14.837 -0.427 1.788 1.00 0.00 C ATOM 0 H ALA A 63 -13.155 1.542 0.908 1.00 0.00 H new ATOM 0 HA ALA A 63 -12.851 -1.132 2.149 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -15.264 -1.426 1.701 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -14.959 -0.068 2.810 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -15.349 0.248 1.102 1.00 0.00 H new ATOM 870 N VAL A 64 -12.398 -2.135 -0.045 1.00 0.00 N ATOM 871 CA VAL A 64 -12.131 -2.782 -1.324 1.00 0.00 C ATOM 872 C VAL A 64 -13.117 -3.915 -1.579 1.00 0.00 C ATOM 873 O VAL A 64 -13.221 -4.852 -0.787 1.00 0.00 O ATOM 874 CB VAL A 64 -10.696 -3.340 -1.384 1.00 0.00 C ATOM 875 CG1 VAL A 64 -10.368 -3.818 -2.790 1.00 0.00 C ATOM 876 CG2 VAL A 64 -9.695 -2.292 -0.921 1.00 0.00 C ATOM 0 H VAL A 64 -11.956 -2.586 0.756 1.00 0.00 H new ATOM 0 HA VAL A 64 -12.247 -2.021 -2.095 1.00 0.00 H new ATOM 0 HB VAL A 64 -10.629 -4.194 -0.710 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -9.351 -4.209 -2.813 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -11.065 -4.604 -3.079 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -10.452 -2.984 -3.487 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -8.687 -2.705 -0.970 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.761 -1.416 -1.566 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -9.919 -2.004 0.106 1.00 0.00 H new ATOM 886 N GLY A 65 -13.839 -3.826 -2.692 1.00 0.00 N ATOM 887 CA GLY A 65 -14.808 -4.852 -3.030 1.00 0.00 C ATOM 888 C GLY A 65 -15.889 -4.998 -1.977 1.00 0.00 C ATOM 889 O GLY A 65 -16.936 -4.356 -2.058 1.00 0.00 O ATOM 0 H GLY A 65 -13.770 -3.063 -3.365 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -15.269 -4.611 -3.988 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -14.295 -5.806 -3.154 1.00 0.00 H new ATOM 893 N GLY A 66 -15.633 -5.844 -0.984 1.00 0.00 N ATOM 894 CA GLY A 66 -16.601 -6.057 0.077 1.00 0.00 C ATOM 895 C GLY A 66 -15.947 -6.222 1.434 1.00 0.00 C ATOM 896 O GLY A 66 -16.484 -6.897 2.311 1.00 0.00 O ATOM 0 H GLY A 66 -14.773 -6.386 -0.895 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -17.291 -5.214 0.110 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -17.193 -6.944 -0.148 1.00 0.00 H new ATOM 900 N VAL A 67 -14.783 -5.604 1.608 1.00 0.00 N ATOM 901 CA VAL A 67 -14.055 -5.685 2.868 1.00 0.00 C ATOM 902 C VAL A 67 -13.517 -4.320 3.281 1.00 0.00 C ATOM 903 O VAL A 67 -12.702 -3.723 2.578 1.00 0.00 O ATOM 904 CB VAL A 67 -12.883 -6.679 2.775 1.00 0.00 C ATOM 905 CG1 VAL A 67 -12.262 -6.902 4.145 1.00 0.00 C ATOM 906 CG2 VAL A 67 -13.345 -7.996 2.170 1.00 0.00 C ATOM 0 H VAL A 67 -14.324 -5.041 0.891 1.00 0.00 H new ATOM 0 HA VAL A 67 -14.762 -6.036 3.620 1.00 0.00 H new ATOM 0 HB VAL A 67 -12.122 -6.254 2.121 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -11.435 -7.607 4.059 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -11.891 -5.954 4.535 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -13.014 -7.305 4.824 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -12.503 -8.685 2.113 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -14.126 -8.429 2.795 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -13.738 -7.819 1.169 1.00 0.00 H new ATOM 916 N ARG A 68 -13.979 -3.830 4.428 1.00 0.00 N ATOM 917 CA ARG A 68 -13.543 -2.534 4.936 1.00 0.00 C ATOM 918 C ARG A 68 -12.227 -2.662 5.694 1.00 0.00 C ATOM 919 O ARG A 68 -12.035 -3.595 6.472 1.00 0.00 O ATOM 920 CB ARG A 68 -14.615 -1.935 5.849 1.00 0.00 C ATOM 921 CG ARG A 68 -14.755 -0.428 5.712 1.00 0.00 C ATOM 922 CD ARG A 68 -15.174 0.214 7.025 1.00 0.00 C ATOM 923 NE ARG A 68 -16.612 0.462 7.078 1.00 0.00 N ATOM 924 CZ ARG A 68 -17.210 1.484 6.470 1.00 0.00 C ATOM 925 NH1 ARG A 68 -16.500 2.352 5.762 1.00 0.00 N ATOM 926 NH2 ARG A 68 -18.524 1.636 6.568 1.00 0.00 N ATOM 0 H ARG A 68 -14.654 -4.311 5.022 1.00 0.00 H new ATOM 0 HA ARG A 68 -13.388 -1.871 4.085 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -15.574 -2.403 5.626 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -14.376 -2.177 6.884 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -13.807 -0.002 5.384 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -15.492 -0.198 4.942 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -14.887 -0.434 7.853 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -14.639 1.154 7.156 1.00 0.00 H new ATOM 0 HE ARG A 68 -17.192 -0.185 7.612 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -15.490 2.239 5.681 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -16.964 3.133 5.299 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -19.075 0.970 7.109 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -18.983 2.419 6.102 1.00 0.00 H new ATOM 940 N TYR A 69 -11.321 -1.716 5.461 1.00 0.00 N ATOM 941 CA TYR A 69 -10.022 -1.724 6.122 1.00 0.00 C ATOM 942 C TYR A 69 -9.865 -0.503 7.025 1.00 0.00 C ATOM 943 O TYR A 69 -9.806 -0.629 8.248 1.00 0.00 O ATOM 944 CB TYR A 69 -8.898 -1.751 5.085 1.00 0.00 C ATOM 945 CG TYR A 69 -8.718 -3.098 4.422 1.00 0.00 C ATOM 946 CD1 TYR A 69 -8.231 -4.186 5.137 1.00 0.00 C ATOM 947 CD2 TYR A 69 -9.035 -3.283 3.083 1.00 0.00 C ATOM 948 CE1 TYR A 69 -8.064 -5.418 4.534 1.00 0.00 C ATOM 949 CE2 TYR A 69 -8.871 -4.513 2.474 1.00 0.00 C ATOM 950 CZ TYR A 69 -8.385 -5.577 3.203 1.00 0.00 C ATOM 951 OH TYR A 69 -8.221 -6.803 2.600 1.00 0.00 O ATOM 0 H TYR A 69 -11.464 -0.936 4.820 1.00 0.00 H new ATOM 0 HA TYR A 69 -9.961 -2.622 6.737 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.104 -1.003 4.319 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.963 -1.465 5.567 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -7.979 -4.067 6.180 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -9.416 -2.452 2.508 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -7.683 -6.253 5.103 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -9.123 -4.640 1.431 1.00 0.00 H new ATOM 0 HH TYR A 69 -8.977 -7.383 2.828 1.00 0.00 H new ATOM 961 N PHE A 70 -9.798 0.675 6.415 1.00 0.00 N ATOM 962 CA PHE A 70 -9.649 1.917 7.164 1.00 0.00 C ATOM 963 C PHE A 70 -10.719 2.927 6.761 1.00 0.00 C ATOM 964 O PHE A 70 -11.213 2.906 5.633 1.00 0.00 O ATOM 965 CB PHE A 70 -8.259 2.512 6.935 1.00 0.00 C ATOM 966 CG PHE A 70 -7.887 2.629 5.485 1.00 0.00 C ATOM 967 CD1 PHE A 70 -7.370 1.542 4.799 1.00 0.00 C ATOM 968 CD2 PHE A 70 -8.056 3.826 4.807 1.00 0.00 C ATOM 969 CE1 PHE A 70 -7.026 1.646 3.465 1.00 0.00 C ATOM 970 CE2 PHE A 70 -7.714 3.936 3.472 1.00 0.00 C ATOM 971 CZ PHE A 70 -7.199 2.845 2.800 1.00 0.00 C ATOM 0 H PHE A 70 -9.845 0.796 5.403 1.00 0.00 H new ATOM 0 HA PHE A 70 -9.769 1.689 8.223 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -8.216 3.500 7.393 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -7.520 1.892 7.442 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -7.234 0.602 5.313 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -8.459 4.682 5.327 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -6.622 0.791 2.943 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -7.849 4.874 2.955 1.00 0.00 H new ATOM 0 HZ PHE A 70 -6.932 2.929 1.757 1.00 0.00 H new ATOM 981 N GLU A 71 -11.073 3.808 7.690 1.00 0.00 N ATOM 982 CA GLU A 71 -12.085 4.825 7.431 1.00 0.00 C ATOM 983 C GLU A 71 -11.442 6.124 6.955 1.00 0.00 C ATOM 984 O GLU A 71 -10.659 6.743 7.677 1.00 0.00 O ATOM 985 CB GLU A 71 -12.915 5.082 8.691 1.00 0.00 C ATOM 986 CG GLU A 71 -14.403 5.226 8.419 1.00 0.00 C ATOM 987 CD GLU A 71 -15.231 5.217 9.689 1.00 0.00 C ATOM 988 OE1 GLU A 71 -14.779 5.799 10.697 1.00 0.00 O ATOM 989 OE2 GLU A 71 -16.332 4.628 9.675 1.00 0.00 O ATOM 0 H GLU A 71 -10.674 3.838 8.628 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.741 4.457 6.642 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -12.760 4.262 9.392 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -12.553 5.989 9.176 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -14.582 6.156 7.880 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -14.730 4.413 7.770 1.00 0.00 H new ATOM 996 N CYS A 72 -11.779 6.533 5.736 1.00 0.00 N ATOM 997 CA CYS A 72 -11.235 7.757 5.162 1.00 0.00 C ATOM 998 C CYS A 72 -12.018 8.170 3.917 1.00 0.00 C ATOM 999 O CYS A 72 -12.818 7.395 3.392 1.00 0.00 O ATOM 1000 CB CYS A 72 -9.757 7.569 4.811 1.00 0.00 C ATOM 1001 SG CYS A 72 -8.617 8.141 6.092 1.00 0.00 S ATOM 0 H CYS A 72 -12.427 6.034 5.127 1.00 0.00 H new ATOM 0 HA CYS A 72 -11.326 8.549 5.906 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -9.571 6.512 4.620 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -9.544 8.103 3.885 1.00 0.00 H new ATOM 0 HG CYS A 72 -9.017 7.712 7.252 1.00 0.00 H new ATOM 1007 N PRO A 73 -11.797 9.402 3.427 1.00 0.00 N ATOM 1008 CA PRO A 73 -12.486 9.914 2.238 1.00 0.00 C ATOM 1009 C PRO A 73 -12.376 8.964 1.050 1.00 0.00 C ATOM 1010 O PRO A 73 -11.655 7.968 1.103 1.00 0.00 O ATOM 1011 CB PRO A 73 -11.758 11.227 1.942 1.00 0.00 C ATOM 1012 CG PRO A 73 -11.199 11.655 3.255 1.00 0.00 C ATOM 1013 CD PRO A 73 -10.859 10.390 3.992 1.00 0.00 C ATOM 0 HA PRO A 73 -13.556 10.034 2.408 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -10.969 11.084 1.204 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -12.440 11.976 1.539 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -10.314 12.277 3.118 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -11.923 12.249 3.813 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -9.822 10.097 3.830 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -10.994 10.503 5.068 1.00 0.00 H new ATOM 1021 N ALA A 74 -13.096 9.281 -0.022 1.00 0.00 N ATOM 1022 CA ALA A 74 -13.077 8.456 -1.225 1.00 0.00 C ATOM 1023 C ALA A 74 -11.925 8.850 -2.142 1.00 0.00 C ATOM 1024 O ALA A 74 -11.470 9.994 -2.129 1.00 0.00 O ATOM 1025 CB ALA A 74 -14.404 8.569 -1.962 1.00 0.00 C ATOM 0 H ALA A 74 -13.699 10.102 -0.082 1.00 0.00 H new ATOM 0 HA ALA A 74 -12.928 7.419 -0.924 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -14.377 7.949 -2.858 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -15.211 8.232 -1.312 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -14.576 9.608 -2.245 1.00 0.00 H new ATOM 1031 N LEU A 75 -11.458 7.894 -2.940 1.00 0.00 N ATOM 1032 CA LEU A 75 -10.358 8.140 -3.864 1.00 0.00 C ATOM 1033 C LEU A 75 -9.103 8.577 -3.115 1.00 0.00 C ATOM 1034 O LEU A 75 -8.272 9.310 -3.650 1.00 0.00 O ATOM 1035 CB LEU A 75 -10.753 9.207 -4.886 1.00 0.00 C ATOM 1036 CG LEU A 75 -12.007 8.888 -5.701 1.00 0.00 C ATOM 1037 CD1 LEU A 75 -12.446 10.103 -6.503 1.00 0.00 C ATOM 1038 CD2 LEU A 75 -11.757 7.702 -6.621 1.00 0.00 C ATOM 0 H LEU A 75 -11.825 6.943 -2.965 1.00 0.00 H new ATOM 0 HA LEU A 75 -10.141 7.208 -4.386 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -10.908 10.150 -4.362 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -9.920 9.357 -5.573 1.00 0.00 H new ATOM 0 HG LEU A 75 -12.809 8.625 -5.011 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -13.340 9.857 -7.077 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -12.666 10.927 -5.824 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -11.647 10.397 -7.184 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -12.660 7.489 -7.193 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -10.941 7.937 -7.304 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -11.491 6.829 -6.025 1.00 0.00 H new ATOM 1050 N GLN A 76 -8.972 8.121 -1.873 1.00 0.00 N ATOM 1051 CA GLN A 76 -7.818 8.464 -1.049 1.00 0.00 C ATOM 1052 C GLN A 76 -7.143 7.210 -0.505 1.00 0.00 C ATOM 1053 O GLN A 76 -5.917 7.114 -0.476 1.00 0.00 O ATOM 1054 CB GLN A 76 -8.242 9.371 0.107 1.00 0.00 C ATOM 1055 CG GLN A 76 -8.198 10.851 -0.234 1.00 0.00 C ATOM 1056 CD GLN A 76 -8.199 11.735 0.999 1.00 0.00 C ATOM 1057 OE1 GLN A 76 -9.049 12.612 1.148 1.00 0.00 O ATOM 1058 NE2 GLN A 76 -7.242 11.506 1.891 1.00 0.00 N ATOM 0 H GLN A 76 -9.651 7.513 -1.415 1.00 0.00 H new ATOM 0 HA GLN A 76 -7.102 8.996 -1.676 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -9.254 9.107 0.413 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.592 9.184 0.962 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -7.305 11.058 -0.824 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -9.056 11.102 -0.857 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -6.558 10.768 1.726 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.192 12.068 2.741 1.00 0.00 H new ATOM 1067 N GLY A 77 -7.955 6.251 -0.076 1.00 0.00 N ATOM 1068 CA GLY A 77 -7.423 5.013 0.463 1.00 0.00 C ATOM 1069 C GLY A 77 -6.898 4.088 -0.618 1.00 0.00 C ATOM 1070 O GLY A 77 -7.617 3.214 -1.099 1.00 0.00 O ATOM 0 H GLY A 77 -8.973 6.308 -0.092 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -6.620 5.241 1.164 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -8.203 4.501 1.028 1.00 0.00 H new ATOM 1074 N ILE A 78 -5.640 4.284 -1.002 1.00 0.00 N ATOM 1075 CA ILE A 78 -5.019 3.462 -2.034 1.00 0.00 C ATOM 1076 C ILE A 78 -4.205 2.330 -1.415 1.00 0.00 C ATOM 1077 O ILE A 78 -3.542 2.514 -0.394 1.00 0.00 O ATOM 1078 CB ILE A 78 -4.106 4.305 -2.948 1.00 0.00 C ATOM 1079 CG1 ILE A 78 -3.545 3.446 -4.083 1.00 0.00 C ATOM 1080 CG2 ILE A 78 -2.978 4.934 -2.143 1.00 0.00 C ATOM 1081 CD1 ILE A 78 -3.140 4.246 -5.302 1.00 0.00 C ATOM 0 H ILE A 78 -5.031 5.005 -0.614 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.824 3.038 -2.634 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.701 5.106 -3.386 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.680 2.894 -3.717 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -4.293 2.709 -4.374 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -2.344 5.525 -2.805 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -3.398 5.579 -1.371 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.383 4.149 -1.676 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -2.751 3.573 -6.066 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -4.008 4.777 -5.693 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -2.369 4.965 -5.026 1.00 0.00 H new ATOM 1093 N PHE A 79 -4.259 1.158 -2.040 1.00 0.00 N ATOM 1094 CA PHE A 79 -3.527 -0.004 -1.551 1.00 0.00 C ATOM 1095 C PHE A 79 -2.314 -0.292 -2.431 1.00 0.00 C ATOM 1096 O PHE A 79 -2.364 -0.122 -3.649 1.00 0.00 O ATOM 1097 CB PHE A 79 -4.442 -1.228 -1.506 1.00 0.00 C ATOM 1098 CG PHE A 79 -5.564 -1.102 -0.515 1.00 0.00 C ATOM 1099 CD1 PHE A 79 -6.578 -0.177 -0.711 1.00 0.00 C ATOM 1100 CD2 PHE A 79 -5.605 -1.906 0.612 1.00 0.00 C ATOM 1101 CE1 PHE A 79 -7.612 -0.058 0.198 1.00 0.00 C ATOM 1102 CE2 PHE A 79 -6.636 -1.792 1.525 1.00 0.00 C ATOM 1103 CZ PHE A 79 -7.640 -0.867 1.318 1.00 0.00 C ATOM 0 H PHE A 79 -4.802 0.988 -2.886 1.00 0.00 H new ATOM 0 HA PHE A 79 -3.178 0.216 -0.542 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -4.861 -1.395 -2.498 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -3.847 -2.107 -1.259 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -6.560 0.458 -1.584 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -4.822 -2.631 0.779 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -8.397 0.666 0.033 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -6.656 -2.426 2.399 1.00 0.00 H new ATOM 0 HZ PHE A 79 -8.446 -0.776 2.031 1.00 0.00 H new ATOM 1113 N THR A 80 -1.226 -0.730 -1.805 1.00 0.00 N ATOM 1114 CA THR A 80 0.000 -1.041 -2.532 1.00 0.00 C ATOM 1115 C THR A 80 0.900 -1.959 -1.710 1.00 0.00 C ATOM 1116 O THR A 80 0.586 -2.293 -0.568 1.00 0.00 O ATOM 1117 CB THR A 80 0.748 0.246 -2.882 1.00 0.00 C ATOM 1118 OG1 THR A 80 2.005 -0.048 -3.466 1.00 0.00 O ATOM 1119 CG2 THR A 80 0.994 1.140 -1.686 1.00 0.00 C ATOM 0 H THR A 80 -1.168 -0.877 -0.797 1.00 0.00 H new ATOM 0 HA THR A 80 -0.272 -1.557 -3.453 1.00 0.00 H new ATOM 0 HB THR A 80 0.101 0.775 -3.582 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.177 0.574 -4.203 1.00 0.00 H new ATOM 0 HG21 THR A 80 1.528 2.035 -2.005 1.00 0.00 H new ATOM 0 HG22 THR A 80 0.040 1.426 -1.243 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.591 0.604 -0.948 1.00 0.00 H new ATOM 1127 N ARG A 81 2.020 -2.365 -2.301 1.00 0.00 N ATOM 1128 CA ARG A 81 2.964 -3.246 -1.623 1.00 0.00 C ATOM 1129 C ARG A 81 3.832 -2.459 -0.641 1.00 0.00 C ATOM 1130 O ARG A 81 4.409 -1.432 -0.999 1.00 0.00 O ATOM 1131 CB ARG A 81 3.851 -3.960 -2.644 1.00 0.00 C ATOM 1132 CG ARG A 81 3.090 -4.499 -3.843 1.00 0.00 C ATOM 1133 CD ARG A 81 4.013 -5.214 -4.815 1.00 0.00 C ATOM 1134 NE ARG A 81 3.302 -5.691 -5.999 1.00 0.00 N ATOM 1135 CZ ARG A 81 2.965 -4.913 -7.025 1.00 0.00 C ATOM 1136 NH1 ARG A 81 3.274 -3.622 -7.018 1.00 0.00 N ATOM 1137 NH2 ARG A 81 2.318 -5.428 -8.062 1.00 0.00 N ATOM 0 H ARG A 81 2.295 -2.098 -3.246 1.00 0.00 H new ATOM 0 HA ARG A 81 2.394 -3.989 -1.065 1.00 0.00 H new ATOM 0 HB2 ARG A 81 4.618 -3.268 -2.993 1.00 0.00 H new ATOM 0 HB3 ARG A 81 4.366 -4.785 -2.151 1.00 0.00 H new ATOM 0 HG2 ARG A 81 2.315 -5.186 -3.504 1.00 0.00 H new ATOM 0 HG3 ARG A 81 2.587 -3.678 -4.355 1.00 0.00 H new ATOM 0 HD2 ARG A 81 4.811 -4.538 -5.120 1.00 0.00 H new ATOM 0 HD3 ARG A 81 4.485 -6.058 -4.312 1.00 0.00 H new ATOM 0 HE ARG A 81 3.049 -6.678 -6.042 1.00 0.00 H new ATOM 0 HH11 ARG A 81 3.772 -3.221 -6.223 1.00 0.00 H new ATOM 0 HH12 ARG A 81 3.013 -3.031 -7.807 1.00 0.00 H new ATOM 0 HH21 ARG A 81 2.079 -6.420 -8.073 1.00 0.00 H new ATOM 0 HH22 ARG A 81 2.059 -4.832 -8.849 1.00 0.00 H new ATOM 1151 N PRO A 82 3.941 -2.930 0.615 1.00 0.00 N ATOM 1152 CA PRO A 82 4.747 -2.257 1.640 1.00 0.00 C ATOM 1153 C PRO A 82 6.178 -2.008 1.177 1.00 0.00 C ATOM 1154 O PRO A 82 6.724 -0.922 1.372 1.00 0.00 O ATOM 1155 CB PRO A 82 4.729 -3.240 2.814 1.00 0.00 C ATOM 1156 CG PRO A 82 3.488 -4.039 2.622 1.00 0.00 C ATOM 1157 CD PRO A 82 3.292 -4.148 1.136 1.00 0.00 C ATOM 0 HA PRO A 82 4.350 -1.272 1.887 1.00 0.00 H new ATOM 0 HB2 PRO A 82 5.614 -3.877 2.810 1.00 0.00 H new ATOM 0 HB3 PRO A 82 4.718 -2.715 3.769 1.00 0.00 H new ATOM 0 HG2 PRO A 82 3.585 -5.025 3.076 1.00 0.00 H new ATOM 0 HG3 PRO A 82 2.634 -3.553 3.094 1.00 0.00 H new ATOM 0 HD2 PRO A 82 3.752 -5.051 0.735 1.00 0.00 H new ATOM 0 HD3 PRO A 82 2.235 -4.185 0.872 1.00 0.00 H new ATOM 1165 N SER A 83 6.781 -3.022 0.566 1.00 0.00 N ATOM 1166 CA SER A 83 8.150 -2.915 0.077 1.00 0.00 C ATOM 1167 C SER A 83 8.276 -1.807 -0.964 1.00 0.00 C ATOM 1168 O SER A 83 9.316 -1.158 -1.071 1.00 0.00 O ATOM 1169 CB SER A 83 8.605 -4.249 -0.522 1.00 0.00 C ATOM 1170 OG SER A 83 9.866 -4.637 -0.002 1.00 0.00 O ATOM 0 H SER A 83 6.343 -3.928 0.398 1.00 0.00 H new ATOM 0 HA SER A 83 8.791 -2.665 0.922 1.00 0.00 H new ATOM 0 HB2 SER A 83 7.866 -5.020 -0.305 1.00 0.00 H new ATOM 0 HB3 SER A 83 8.666 -4.162 -1.607 1.00 0.00 H new ATOM 0 HG SER A 83 10.134 -5.492 -0.398 1.00 0.00 H new ATOM 1176 N LYS A 84 7.210 -1.596 -1.730 1.00 0.00 N ATOM 1177 CA LYS A 84 7.205 -0.566 -2.763 1.00 0.00 C ATOM 1178 C LYS A 84 7.246 0.828 -2.144 1.00 0.00 C ATOM 1179 O LYS A 84 7.754 1.772 -2.749 1.00 0.00 O ATOM 1180 CB LYS A 84 5.967 -0.707 -3.650 1.00 0.00 C ATOM 1181 CG LYS A 84 6.028 -1.895 -4.595 1.00 0.00 C ATOM 1182 CD LYS A 84 6.864 -1.585 -5.826 1.00 0.00 C ATOM 1183 CE LYS A 84 6.703 -2.656 -6.894 1.00 0.00 C ATOM 1184 NZ LYS A 84 7.985 -2.935 -7.598 1.00 0.00 N ATOM 0 H LYS A 84 6.340 -2.123 -1.655 1.00 0.00 H new ATOM 0 HA LYS A 84 8.098 -0.698 -3.375 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.085 -0.802 -3.016 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.843 0.205 -4.234 1.00 0.00 H new ATOM 0 HG2 LYS A 84 6.450 -2.754 -4.074 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.019 -2.171 -4.900 1.00 0.00 H new ATOM 0 HD2 LYS A 84 6.570 -0.617 -6.233 1.00 0.00 H new ATOM 0 HD3 LYS A 84 7.914 -1.506 -5.544 1.00 0.00 H new ATOM 0 HE2 LYS A 84 6.333 -3.573 -6.436 1.00 0.00 H new ATOM 0 HE3 LYS A 84 5.953 -2.337 -7.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 7.833 -3.670 -8.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 8.325 -2.066 -8.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 8.694 -3.264 -6.911 1.00 0.00 H new ATOM 1198 N LEU A 85 6.710 0.952 -0.933 1.00 0.00 N ATOM 1199 CA LEU A 85 6.689 2.232 -0.236 1.00 0.00 C ATOM 1200 C LEU A 85 8.103 2.681 0.118 1.00 0.00 C ATOM 1201 O LEU A 85 9.026 1.870 0.178 1.00 0.00 O ATOM 1202 CB LEU A 85 5.840 2.132 1.034 1.00 0.00 C ATOM 1203 CG LEU A 85 4.414 1.624 0.821 1.00 0.00 C ATOM 1204 CD1 LEU A 85 3.825 1.122 2.131 1.00 0.00 C ATOM 1205 CD2 LEU A 85 3.542 2.720 0.229 1.00 0.00 C ATOM 0 H LEU A 85 6.285 0.182 -0.416 1.00 0.00 H new ATOM 0 HA LEU A 85 6.247 2.973 -0.902 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.344 1.470 1.738 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.793 3.116 1.500 1.00 0.00 H new ATOM 0 HG LEU A 85 4.446 0.792 0.118 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.810 0.764 1.960 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.437 0.306 2.516 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.806 1.935 2.857 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.530 2.341 0.084 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.517 3.572 0.909 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.953 3.034 -0.731 1.00 0.00 H new ATOM 1217 N THR A 86 8.264 3.979 0.353 1.00 0.00 N ATOM 1218 CA THR A 86 9.564 4.538 0.702 1.00 0.00 C ATOM 1219 C THR A 86 9.407 5.759 1.603 1.00 0.00 C ATOM 1220 O THR A 86 8.292 6.207 1.869 1.00 0.00 O ATOM 1221 CB THR A 86 10.335 4.921 -0.563 1.00 0.00 C ATOM 1222 OG1 THR A 86 9.615 5.880 -1.318 1.00 0.00 O ATOM 1223 CG2 THR A 86 10.619 3.743 -1.470 1.00 0.00 C ATOM 0 H THR A 86 7.509 4.664 0.308 1.00 0.00 H new ATOM 0 HA THR A 86 10.124 3.777 1.245 1.00 0.00 H new ATOM 0 HB THR A 86 11.284 5.326 -0.212 1.00 0.00 H new ATOM 0 HG1 THR A 86 8.699 5.562 -1.462 1.00 0.00 H new ATOM 0 HG21 THR A 86 11.168 4.084 -2.348 1.00 0.00 H new ATOM 0 HG22 THR A 86 11.215 3.006 -0.933 1.00 0.00 H new ATOM 0 HG23 THR A 86 9.678 3.290 -1.783 1.00 0.00 H new ATOM 1231 N ARG A 87 10.531 6.291 2.071 1.00 0.00 N ATOM 1232 CA ARG A 87 10.518 7.461 2.943 1.00 0.00 C ATOM 1233 C ARG A 87 11.225 8.640 2.284 1.00 0.00 C ATOM 1234 O ARG A 87 11.850 9.458 2.959 1.00 0.00 O ATOM 1235 CB ARG A 87 11.186 7.133 4.280 1.00 0.00 C ATOM 1236 CG ARG A 87 10.322 6.285 5.199 1.00 0.00 C ATOM 1237 CD ARG A 87 10.819 6.336 6.635 1.00 0.00 C ATOM 1238 NE ARG A 87 11.528 5.115 7.012 1.00 0.00 N ATOM 1239 CZ ARG A 87 11.993 4.876 8.236 1.00 0.00 C ATOM 1240 NH1 ARG A 87 11.827 5.770 9.203 1.00 0.00 N ATOM 1241 NH2 ARG A 87 12.627 3.740 8.494 1.00 0.00 N ATOM 0 H ARG A 87 11.462 5.931 1.862 1.00 0.00 H new ATOM 0 HA ARG A 87 9.479 7.738 3.121 1.00 0.00 H new ATOM 0 HB2 ARG A 87 12.123 6.609 4.090 1.00 0.00 H new ATOM 0 HB3 ARG A 87 11.439 8.063 4.789 1.00 0.00 H new ATOM 0 HG2 ARG A 87 9.291 6.636 5.157 1.00 0.00 H new ATOM 0 HG3 ARG A 87 10.322 5.253 4.849 1.00 0.00 H new ATOM 0 HD2 ARG A 87 11.481 7.193 6.759 1.00 0.00 H new ATOM 0 HD3 ARG A 87 9.973 6.486 7.306 1.00 0.00 H new ATOM 0 HE ARG A 87 11.675 4.404 6.295 1.00 0.00 H new ATOM 0 HH11 ARG A 87 11.341 6.646 9.010 1.00 0.00 H new ATOM 0 HH12 ARG A 87 12.186 5.581 10.139 1.00 0.00 H new ATOM 0 HH21 ARG A 87 12.758 3.050 7.755 1.00 0.00 H new ATOM 0 HH22 ARG A 87 12.983 3.557 9.432 1.00 0.00 H new ATOM 1255 N GLN A 88 11.122 8.722 0.962 1.00 0.00 N ATOM 1256 CA GLN A 88 11.751 9.802 0.211 1.00 0.00 C ATOM 1257 C GLN A 88 11.291 9.790 -1.247 1.00 0.00 C ATOM 1258 O GLN A 88 11.214 8.731 -1.870 1.00 0.00 O ATOM 1259 CB GLN A 88 13.275 9.676 0.279 1.00 0.00 C ATOM 1260 CG GLN A 88 13.911 10.549 1.349 1.00 0.00 C ATOM 1261 CD GLN A 88 14.769 11.655 0.767 1.00 0.00 C ATOM 1262 OE1 GLN A 88 14.685 11.963 -0.422 1.00 0.00 O ATOM 1263 NE2 GLN A 88 15.602 12.261 1.605 1.00 0.00 N ATOM 0 H GLN A 88 10.609 8.053 0.388 1.00 0.00 H new ATOM 0 HA GLN A 88 11.451 10.749 0.660 1.00 0.00 H new ATOM 0 HB2 GLN A 88 13.537 8.635 0.468 1.00 0.00 H new ATOM 0 HB3 GLN A 88 13.697 9.940 -0.691 1.00 0.00 H new ATOM 0 HG2 GLN A 88 13.128 10.989 1.966 1.00 0.00 H new ATOM 0 HG3 GLN A 88 14.522 9.927 2.004 1.00 0.00 H new ATOM 0 HE21 GLN A 88 15.640 11.974 2.583 1.00 0.00 H new ATOM 0 HE22 GLN A 88 16.204 13.013 1.271 1.00 0.00 H new ATOM 1272 N PRO A 89 10.980 10.971 -1.814 1.00 0.00 N ATOM 1273 CA PRO A 89 10.530 11.080 -3.206 1.00 0.00 C ATOM 1274 C PRO A 89 11.500 10.420 -4.179 1.00 0.00 C ATOM 1275 O PRO A 89 12.608 10.037 -3.803 1.00 0.00 O ATOM 1276 CB PRO A 89 10.476 12.590 -3.449 1.00 0.00 C ATOM 1277 CG PRO A 89 10.304 13.188 -2.096 1.00 0.00 C ATOM 1278 CD PRO A 89 11.045 12.286 -1.149 1.00 0.00 C ATOM 0 HA PRO A 89 9.576 10.577 -3.365 1.00 0.00 H new ATOM 0 HB2 PRO A 89 11.389 12.947 -3.926 1.00 0.00 H new ATOM 0 HB3 PRO A 89 9.648 12.855 -4.107 1.00 0.00 H new ATOM 0 HG2 PRO A 89 10.704 14.201 -2.063 1.00 0.00 H new ATOM 0 HG3 PRO A 89 9.249 13.253 -1.829 1.00 0.00 H new ATOM 0 HD2 PRO A 89 12.075 12.613 -1.004 1.00 0.00 H new ATOM 0 HD3 PRO A 89 10.576 12.263 -0.165 1.00 0.00 H new