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= -1.32 X(o=-1.3,f=-1.4) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.0782 K(o=-0.078,f=-0.79) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -104:sc= 1.36 USER MOD Single : A 42 GLN : amide:sc=-0.000489 X(o=-0.00049,f=0) USER MOD Single : A 47 GLN : amide:sc= -1.43 K(o=-1.4,f=-4!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.814 X(o=-0.81,f=-1.2) USER MOD Single : A 69 TYR OH : rot 110:sc= 0 USER MOD Single : A 72 CYS SG : rot 25:sc= 0.554 USER MOD Single : A 76 GLN : amide:sc= -2.09 K(o=-2.1,f=-2.8!) USER MOD Single : A 80 THR OG1 : rot 160:sc= -0.104 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 -55:sc= 0.524 USER MOD Single : A 88 GLN : amide:sc= -0.46 X(o=-0.46,f=-0.0084) USER MOD ----------------------------------------------------------------- ATOM 103 N VAL A 11 -1.127 -8.641 -7.494 1.00 0.00 N ATOM 104 CA VAL A 11 -0.863 -9.238 -6.190 1.00 0.00 C ATOM 105 C VAL A 11 0.042 -8.345 -5.349 1.00 0.00 C ATOM 106 O VAL A 11 0.458 -7.274 -5.791 1.00 0.00 O ATOM 107 CB VAL A 11 -0.209 -10.625 -6.329 1.00 0.00 C ATOM 108 CG1 VAL A 11 -1.193 -11.624 -6.918 1.00 0.00 C ATOM 109 CG2 VAL A 11 1.049 -10.539 -7.179 1.00 0.00 C ATOM 0 HA VAL A 11 -1.826 -9.347 -5.692 1.00 0.00 H new ATOM 0 HB VAL A 11 0.075 -10.974 -5.336 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.712 -12.598 -7.008 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.062 -11.707 -6.265 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.511 -11.284 -7.903 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.498 -11.529 -7.266 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.793 -10.168 -8.171 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.760 -9.859 -6.710 1.00 0.00 H new ATOM 119 N GLY A 12 0.345 -8.793 -4.135 1.00 0.00 N ATOM 120 CA GLY A 12 1.199 -8.021 -3.250 1.00 0.00 C ATOM 121 C GLY A 12 2.522 -8.709 -2.978 1.00 0.00 C ATOM 122 O GLY A 12 2.729 -9.855 -3.379 1.00 0.00 O ATOM 0 H GLY A 12 0.015 -9.677 -3.748 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.386 -7.042 -3.692 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.680 -7.851 -2.306 1.00 0.00 H new ATOM 126 N ASP A 13 3.422 -8.009 -2.295 1.00 0.00 N ATOM 127 CA ASP A 13 4.732 -8.559 -1.969 1.00 0.00 C ATOM 128 C ASP A 13 4.629 -9.578 -0.838 1.00 0.00 C ATOM 129 O ASP A 13 3.602 -9.674 -0.168 1.00 0.00 O ATOM 130 CB ASP A 13 5.696 -7.438 -1.575 1.00 0.00 C ATOM 131 CG ASP A 13 7.148 -7.854 -1.699 1.00 0.00 C ATOM 132 OD1 ASP A 13 7.563 -8.236 -2.814 1.00 0.00 O ATOM 133 OD2 ASP A 13 7.872 -7.798 -0.683 1.00 0.00 O ATOM 0 H ASP A 13 3.268 -7.059 -1.957 1.00 0.00 H new ATOM 0 HA ASP A 13 5.116 -9.064 -2.855 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.515 -6.568 -2.207 1.00 0.00 H new ATOM 0 HB3 ASP A 13 5.495 -7.134 -0.548 1.00 0.00 H new ATOM 138 N ASP A 14 5.701 -10.336 -0.632 1.00 0.00 N ATOM 139 CA ASP A 14 5.733 -11.348 0.418 1.00 0.00 C ATOM 140 C ASP A 14 6.747 -10.984 1.497 1.00 0.00 C ATOM 141 O ASP A 14 7.455 -11.847 2.016 1.00 0.00 O ATOM 142 CB ASP A 14 6.070 -12.717 -0.175 1.00 0.00 C ATOM 143 CG ASP A 14 4.896 -13.335 -0.908 1.00 0.00 C ATOM 144 OD1 ASP A 14 4.213 -12.605 -1.658 1.00 0.00 O ATOM 145 OD2 ASP A 14 4.659 -14.549 -0.734 1.00 0.00 O ATOM 0 H ASP A 14 6.560 -10.269 -1.179 1.00 0.00 H new ATOM 0 HA ASP A 14 4.745 -11.391 0.876 1.00 0.00 H new ATOM 0 HB2 ASP A 14 6.911 -12.615 -0.862 1.00 0.00 H new ATOM 0 HB3 ASP A 14 6.390 -13.387 0.623 1.00 0.00 H new ATOM 150 N PHE A 15 6.814 -9.698 1.829 1.00 0.00 N ATOM 151 CA PHE A 15 7.742 -9.219 2.846 1.00 0.00 C ATOM 152 C PHE A 15 7.397 -7.795 3.269 1.00 0.00 C ATOM 153 O PHE A 15 7.521 -6.855 2.484 1.00 0.00 O ATOM 154 CB PHE A 15 9.179 -9.273 2.323 1.00 0.00 C ATOM 155 CG PHE A 15 10.215 -9.181 3.406 1.00 0.00 C ATOM 156 CD1 PHE A 15 10.516 -10.283 4.191 1.00 0.00 C ATOM 157 CD2 PHE A 15 10.889 -7.993 3.640 1.00 0.00 C ATOM 158 CE1 PHE A 15 11.470 -10.202 5.188 1.00 0.00 C ATOM 159 CE2 PHE A 15 11.843 -7.906 4.635 1.00 0.00 C ATOM 160 CZ PHE A 15 12.134 -9.012 5.410 1.00 0.00 C ATOM 0 H PHE A 15 6.237 -8.970 1.408 1.00 0.00 H new ATOM 0 HA PHE A 15 7.655 -9.870 3.716 1.00 0.00 H new ATOM 0 HB2 PHE A 15 9.322 -10.203 1.773 1.00 0.00 H new ATOM 0 HB3 PHE A 15 9.331 -8.457 1.616 1.00 0.00 H new ATOM 0 HD1 PHE A 15 9.999 -11.216 4.022 1.00 0.00 H new ATOM 0 HD2 PHE A 15 10.666 -7.125 3.037 1.00 0.00 H new ATOM 0 HE1 PHE A 15 11.696 -11.068 5.792 1.00 0.00 H new ATOM 0 HE2 PHE A 15 12.361 -6.974 4.807 1.00 0.00 H new ATOM 0 HZ PHE A 15 12.880 -8.946 6.188 1.00 0.00 H new ATOM 170 N LEU A 16 6.960 -7.642 4.516 1.00 0.00 N ATOM 171 CA LEU A 16 6.596 -6.333 5.044 1.00 0.00 C ATOM 172 C LEU A 16 7.840 -5.505 5.352 1.00 0.00 C ATOM 173 O LEU A 16 8.768 -5.980 6.006 1.00 0.00 O ATOM 174 CB LEU A 16 5.747 -6.487 6.307 1.00 0.00 C ATOM 175 CG LEU A 16 4.442 -7.262 6.117 1.00 0.00 C ATOM 176 CD1 LEU A 16 4.021 -7.925 7.420 1.00 0.00 C ATOM 177 CD2 LEU A 16 3.345 -6.340 5.608 1.00 0.00 C ATOM 0 H LEU A 16 6.850 -8.409 5.179 1.00 0.00 H new ATOM 0 HA LEU A 16 6.013 -5.812 4.284 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.343 -6.990 7.069 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.510 -5.495 6.691 1.00 0.00 H new ATOM 0 HG LEU A 16 4.609 -8.041 5.374 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.091 -8.472 7.266 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.799 -8.616 7.744 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.871 -7.163 8.184 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.424 -6.908 5.478 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.179 -5.539 6.329 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.645 -5.911 4.652 1.00 0.00 H new ATOM 189 N GLY A 17 7.851 -4.264 4.875 1.00 0.00 N ATOM 190 CA GLY A 17 8.986 -3.390 5.110 1.00 0.00 C ATOM 191 C GLY A 17 9.098 -2.961 6.560 1.00 0.00 C ATOM 192 O GLY A 17 8.449 -3.534 7.436 1.00 0.00 O ATOM 0 H GLY A 17 7.095 -3.848 4.331 1.00 0.00 H new ATOM 0 HA2 GLY A 17 9.902 -3.902 4.814 1.00 0.00 H new ATOM 0 HA3 GLY A 17 8.897 -2.506 4.479 1.00 0.00 H new ATOM 196 N ASP A 18 9.924 -1.951 6.814 1.00 0.00 N ATOM 197 CA ASP A 18 10.120 -1.446 8.168 1.00 0.00 C ATOM 198 C ASP A 18 9.302 -0.180 8.400 1.00 0.00 C ATOM 199 O ASP A 18 9.739 0.732 9.102 1.00 0.00 O ATOM 200 CB ASP A 18 11.602 -1.164 8.420 1.00 0.00 C ATOM 201 CG ASP A 18 12.342 -2.382 8.941 1.00 0.00 C ATOM 202 OD1 ASP A 18 12.328 -3.423 8.252 1.00 0.00 O ATOM 203 OD2 ASP A 18 12.933 -2.292 10.037 1.00 0.00 O ATOM 0 H ASP A 18 10.468 -1.466 6.100 1.00 0.00 H new ATOM 0 HA ASP A 18 9.779 -2.210 8.867 1.00 0.00 H new ATOM 0 HB2 ASP A 18 12.068 -0.828 7.494 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.697 -0.350 9.138 1.00 0.00 H new ATOM 208 N PHE A 19 8.113 -0.132 7.807 1.00 0.00 N ATOM 209 CA PHE A 19 7.234 1.023 7.949 1.00 0.00 C ATOM 210 C PHE A 19 6.356 0.888 9.190 1.00 0.00 C ATOM 211 O PHE A 19 6.437 -0.103 9.914 1.00 0.00 O ATOM 212 CB PHE A 19 6.359 1.181 6.706 1.00 0.00 C ATOM 213 CG PHE A 19 7.144 1.371 5.438 1.00 0.00 C ATOM 214 CD1 PHE A 19 7.680 2.608 5.118 1.00 0.00 C ATOM 215 CD2 PHE A 19 7.346 0.312 4.568 1.00 0.00 C ATOM 216 CE1 PHE A 19 8.402 2.786 3.953 1.00 0.00 C ATOM 217 CE2 PHE A 19 8.067 0.483 3.402 1.00 0.00 C ATOM 218 CZ PHE A 19 8.596 1.721 3.094 1.00 0.00 C ATOM 0 H PHE A 19 7.736 -0.879 7.224 1.00 0.00 H new ATOM 0 HA PHE A 19 7.857 1.911 8.060 1.00 0.00 H new ATOM 0 HB2 PHE A 19 5.726 0.300 6.603 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.696 2.035 6.845 1.00 0.00 H new ATOM 0 HD1 PHE A 19 7.532 3.443 5.787 1.00 0.00 H new ATOM 0 HD2 PHE A 19 6.935 -0.658 4.804 1.00 0.00 H new ATOM 0 HE1 PHE A 19 8.814 3.756 3.714 1.00 0.00 H new ATOM 0 HE2 PHE A 19 8.217 -0.351 2.732 1.00 0.00 H new ATOM 0 HZ PHE A 19 9.160 1.857 2.183 1.00 0.00 H new ATOM 228 N VAL A 20 5.517 1.891 9.426 1.00 0.00 N ATOM 229 CA VAL A 20 4.624 1.884 10.578 1.00 0.00 C ATOM 230 C VAL A 20 3.273 2.502 10.230 1.00 0.00 C ATOM 231 O VAL A 20 3.052 2.938 9.100 1.00 0.00 O ATOM 232 CB VAL A 20 5.233 2.649 11.767 1.00 0.00 C ATOM 233 CG1 VAL A 20 6.368 1.851 12.391 1.00 0.00 C ATOM 234 CG2 VAL A 20 5.715 4.023 11.328 1.00 0.00 C ATOM 0 H VAL A 20 5.437 2.718 8.835 1.00 0.00 H new ATOM 0 HA VAL A 20 4.483 0.841 10.861 1.00 0.00 H new ATOM 0 HB VAL A 20 4.459 2.786 12.522 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.786 2.408 13.230 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.987 0.893 12.745 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.145 1.680 11.646 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.142 4.549 12.182 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.474 3.912 10.553 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.875 4.594 10.934 1.00 0.00 H new ATOM 244 N VAL A 21 2.374 2.535 11.208 1.00 0.00 N ATOM 245 CA VAL A 21 1.046 3.100 11.004 1.00 0.00 C ATOM 246 C VAL A 21 0.963 4.518 11.560 1.00 0.00 C ATOM 247 O VAL A 21 1.141 4.739 12.758 1.00 0.00 O ATOM 248 CB VAL A 21 -0.042 2.236 11.670 1.00 0.00 C ATOM 249 CG1 VAL A 21 -1.429 2.745 11.305 1.00 0.00 C ATOM 250 CG2 VAL A 21 0.117 0.775 11.275 1.00 0.00 C ATOM 0 H VAL A 21 2.541 2.177 12.149 1.00 0.00 H new ATOM 0 HA VAL A 21 0.873 3.122 9.928 1.00 0.00 H new ATOM 0 HB VAL A 21 0.075 2.311 12.751 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.183 2.122 11.785 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.540 3.775 11.645 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.559 2.704 10.224 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.661 0.181 11.756 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.030 0.679 10.193 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.096 0.416 11.593 1.00 0.00 H new ATOM 260 N GLY A 22 0.691 5.478 10.681 1.00 0.00 N ATOM 261 CA GLY A 22 0.590 6.863 11.101 1.00 0.00 C ATOM 262 C GLY A 22 1.748 7.706 10.605 1.00 0.00 C ATOM 263 O GLY A 22 2.166 8.652 11.273 1.00 0.00 O ATOM 0 H GLY A 22 0.539 5.321 9.685 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.346 7.284 10.732 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.553 6.907 12.189 1.00 0.00 H new ATOM 267 N GLU A 23 2.266 7.363 9.430 1.00 0.00 N ATOM 268 CA GLU A 23 3.384 8.094 8.845 1.00 0.00 C ATOM 269 C GLU A 23 3.149 8.347 7.358 1.00 0.00 C ATOM 270 O GLU A 23 2.211 7.812 6.768 1.00 0.00 O ATOM 271 CB GLU A 23 4.688 7.319 9.043 1.00 0.00 C ATOM 272 CG GLU A 23 4.712 5.978 8.329 1.00 0.00 C ATOM 273 CD GLU A 23 6.118 5.437 8.153 1.00 0.00 C ATOM 274 OE1 GLU A 23 7.074 6.237 8.221 1.00 0.00 O ATOM 275 OE2 GLU A 23 6.262 4.214 7.948 1.00 0.00 O ATOM 0 H GLU A 23 1.929 6.584 8.864 1.00 0.00 H new ATOM 0 HA GLU A 23 3.462 9.056 9.352 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.520 7.926 8.686 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.846 7.157 10.109 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.118 5.259 8.893 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.242 6.082 7.351 1.00 0.00 H new ATOM 282 N ARG A 24 4.007 9.166 6.760 1.00 0.00 N ATOM 283 CA ARG A 24 3.894 9.489 5.343 1.00 0.00 C ATOM 284 C ARG A 24 4.872 8.659 4.516 1.00 0.00 C ATOM 285 O ARG A 24 6.087 8.782 4.664 1.00 0.00 O ATOM 286 CB ARG A 24 4.149 10.981 5.117 1.00 0.00 C ATOM 287 CG ARG A 24 2.967 11.714 4.504 1.00 0.00 C ATOM 288 CD ARG A 24 1.923 12.067 5.551 1.00 0.00 C ATOM 289 NE ARG A 24 1.501 13.463 5.454 1.00 0.00 N ATOM 290 CZ ARG A 24 2.226 14.488 5.892 1.00 0.00 C ATOM 291 NH1 ARG A 24 3.409 14.281 6.457 1.00 0.00 N ATOM 292 NH2 ARG A 24 1.768 15.727 5.764 1.00 0.00 N ATOM 0 H ARG A 24 4.788 9.618 7.235 1.00 0.00 H new ATOM 0 HA ARG A 24 2.881 9.249 5.020 1.00 0.00 H new ATOM 0 HB2 ARG A 24 4.400 11.447 6.070 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.016 11.099 4.467 1.00 0.00 H new ATOM 0 HG2 ARG A 24 3.316 12.624 4.016 1.00 0.00 H new ATOM 0 HG3 ARG A 24 2.513 11.092 3.732 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.056 11.417 5.432 1.00 0.00 H new ATOM 0 HD3 ARG A 24 2.328 11.879 6.545 1.00 0.00 H new ATOM 0 HE ARG A 24 0.597 13.663 5.025 1.00 0.00 H new ATOM 0 HH11 ARG A 24 3.767 13.331 6.557 1.00 0.00 H new ATOM 0 HH12 ARG A 24 3.960 15.072 6.791 1.00 0.00 H new ATOM 0 HH21 ARG A 24 0.860 15.893 5.330 1.00 0.00 H new ATOM 0 HH22 ARG A 24 2.324 16.513 6.100 1.00 0.00 H new ATOM 306 N VAL A 25 4.331 7.813 3.644 1.00 0.00 N ATOM 307 CA VAL A 25 5.155 6.963 2.793 1.00 0.00 C ATOM 308 C VAL A 25 4.932 7.280 1.318 1.00 0.00 C ATOM 309 O VAL A 25 3.794 7.408 0.866 1.00 0.00 O ATOM 310 CB VAL A 25 4.860 5.471 3.035 1.00 0.00 C ATOM 311 CG1 VAL A 25 5.322 5.053 4.423 1.00 0.00 C ATOM 312 CG2 VAL A 25 3.379 5.182 2.848 1.00 0.00 C ATOM 0 H VAL A 25 3.327 7.698 3.509 1.00 0.00 H new ATOM 0 HA VAL A 25 6.193 7.168 3.053 1.00 0.00 H new ATOM 0 HB VAL A 25 5.415 4.886 2.302 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.105 3.996 4.576 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.395 5.220 4.515 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.797 5.643 5.174 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.190 4.123 3.023 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.800 5.776 3.556 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.084 5.440 1.831 1.00 0.00 H new ATOM 322 N TRP A 26 6.025 7.406 0.572 1.00 0.00 N ATOM 323 CA TRP A 26 5.948 7.708 -0.852 1.00 0.00 C ATOM 324 C TRP A 26 5.724 6.438 -1.667 1.00 0.00 C ATOM 325 O TRP A 26 6.638 5.630 -1.838 1.00 0.00 O ATOM 326 CB TRP A 26 7.226 8.407 -1.316 1.00 0.00 C ATOM 327 CG TRP A 26 7.223 9.884 -1.062 1.00 0.00 C ATOM 328 CD1 TRP A 26 7.098 10.875 -1.991 1.00 0.00 C ATOM 329 CD2 TRP A 26 7.350 10.536 0.207 1.00 0.00 C ATOM 330 NE1 TRP A 26 7.140 12.104 -1.379 1.00 0.00 N ATOM 331 CE2 TRP A 26 7.294 11.922 -0.029 1.00 0.00 C ATOM 332 CE3 TRP A 26 7.504 10.082 1.520 1.00 0.00 C ATOM 333 CZ2 TRP A 26 7.387 12.857 0.999 1.00 0.00 C ATOM 334 CZ3 TRP A 26 7.597 11.011 2.540 1.00 0.00 C ATOM 335 CH2 TRP A 26 7.538 12.384 2.274 1.00 0.00 C ATOM 0 H TRP A 26 6.974 7.304 0.931 1.00 0.00 H new ATOM 0 HA TRP A 26 5.100 8.374 -1.011 1.00 0.00 H new ATOM 0 HB2 TRP A 26 8.081 7.960 -0.808 1.00 0.00 H new ATOM 0 HB3 TRP A 26 7.361 8.230 -2.383 1.00 0.00 H new ATOM 0 HD1 TRP A 26 6.983 10.716 -3.053 1.00 0.00 H new ATOM 0 HE1 TRP A 26 7.068 13.005 -1.852 1.00 0.00 H new ATOM 0 HE3 TRP A 26 7.550 9.024 1.734 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 7.342 13.917 0.797 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 7.717 10.672 3.558 1.00 0.00 H new ATOM 0 HH2 TRP A 26 7.613 13.085 3.092 1.00 0.00 H new ATOM 346 N VAL A 27 4.504 6.268 -2.167 1.00 0.00 N ATOM 347 CA VAL A 27 4.162 5.096 -2.962 1.00 0.00 C ATOM 348 C VAL A 27 4.887 5.111 -4.304 1.00 0.00 C ATOM 349 O VAL A 27 4.591 5.934 -5.170 1.00 0.00 O ATOM 350 CB VAL A 27 2.645 5.009 -3.213 1.00 0.00 C ATOM 351 CG1 VAL A 27 2.286 3.686 -3.869 1.00 0.00 C ATOM 352 CG2 VAL A 27 1.878 5.194 -1.913 1.00 0.00 C ATOM 0 H VAL A 27 3.737 6.927 -2.035 1.00 0.00 H new ATOM 0 HA VAL A 27 4.478 4.224 -2.390 1.00 0.00 H new ATOM 0 HB VAL A 27 2.361 5.812 -3.893 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.210 3.644 -4.038 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.807 3.600 -4.823 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.583 2.864 -3.217 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.808 5.130 -2.110 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.165 4.414 -1.207 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.111 6.171 -1.489 1.00 0.00 H new ATOM 362 N ASN A 28 5.837 4.197 -4.468 1.00 0.00 N ATOM 363 CA ASN A 28 6.605 4.106 -5.705 1.00 0.00 C ATOM 364 C ASN A 28 7.359 5.403 -5.975 1.00 0.00 C ATOM 365 O ASN A 28 7.597 5.766 -7.127 1.00 0.00 O ATOM 366 CB ASN A 28 5.682 3.785 -6.881 1.00 0.00 C ATOM 367 CG ASN A 28 5.515 2.293 -7.094 1.00 0.00 C ATOM 368 OD1 ASN A 28 6.299 1.665 -7.806 1.00 0.00 O ATOM 369 ND2 ASN A 28 4.489 1.718 -6.478 1.00 0.00 N ATOM 0 H ASN A 28 6.094 3.509 -3.760 1.00 0.00 H new ATOM 0 HA ASN A 28 7.332 3.302 -5.593 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.705 4.236 -6.706 1.00 0.00 H new ATOM 0 HB3 ASN A 28 6.084 4.236 -7.788 1.00 0.00 H new ATOM 0 HD21 ASN A 28 4.326 0.717 -6.585 1.00 0.00 H new ATOM 0 HD22 ASN A 28 3.864 2.277 -5.897 1.00 0.00 H new ATOM 376 N GLY A 29 7.735 6.098 -4.906 1.00 0.00 N ATOM 377 CA GLY A 29 8.460 7.348 -5.050 1.00 0.00 C ATOM 378 C GLY A 29 7.691 8.376 -5.855 1.00 0.00 C ATOM 379 O GLY A 29 8.281 9.163 -6.596 1.00 0.00 O ATOM 0 H GLY A 29 7.551 5.818 -3.943 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.678 7.754 -4.062 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.418 7.155 -5.533 1.00 0.00 H new ATOM 383 N VAL A 30 6.370 8.372 -5.711 1.00 0.00 N ATOM 384 CA VAL A 30 5.519 9.311 -6.431 1.00 0.00 C ATOM 385 C VAL A 30 4.975 10.387 -5.495 1.00 0.00 C ATOM 386 O VAL A 30 5.323 11.561 -5.616 1.00 0.00 O ATOM 387 CB VAL A 30 4.339 8.593 -7.111 1.00 0.00 C ATOM 388 CG1 VAL A 30 3.570 9.556 -8.004 1.00 0.00 C ATOM 389 CG2 VAL A 30 4.831 7.393 -7.907 1.00 0.00 C ATOM 0 H VAL A 30 5.866 7.728 -5.102 1.00 0.00 H new ATOM 0 HA VAL A 30 6.139 9.778 -7.197 1.00 0.00 H new ATOM 0 HB VAL A 30 3.662 8.233 -6.337 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.740 9.030 -8.476 1.00 0.00 H new ATOM 0 HG12 VAL A 30 3.184 10.379 -7.403 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.235 9.949 -8.773 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.983 6.898 -8.380 1.00 0.00 H new ATOM 0 HG22 VAL A 30 5.531 7.727 -8.673 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.332 6.693 -7.238 1.00 0.00 H new ATOM 399 N LYS A 31 4.120 9.978 -4.566 1.00 0.00 N ATOM 400 CA LYS A 31 3.528 10.908 -3.610 1.00 0.00 C ATOM 401 C LYS A 31 3.396 10.262 -2.232 1.00 0.00 C ATOM 402 O LYS A 31 3.155 9.060 -2.122 1.00 0.00 O ATOM 403 CB LYS A 31 2.156 11.373 -4.101 1.00 0.00 C ATOM 404 CG LYS A 31 2.218 12.248 -5.342 1.00 0.00 C ATOM 405 CD LYS A 31 0.921 12.191 -6.135 1.00 0.00 C ATOM 406 CE LYS A 31 0.237 13.547 -6.188 1.00 0.00 C ATOM 407 NZ LYS A 31 -0.420 13.888 -4.896 1.00 0.00 N ATOM 0 H LYS A 31 3.821 9.009 -4.453 1.00 0.00 H new ATOM 0 HA LYS A 31 4.188 11.772 -3.525 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.540 10.499 -4.313 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.661 11.925 -3.302 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.422 13.278 -5.051 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.046 11.926 -5.974 1.00 0.00 H new ATOM 0 HD2 LYS A 31 1.128 11.848 -7.149 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.249 11.462 -5.683 1.00 0.00 H new ATOM 0 HE2 LYS A 31 0.970 14.314 -6.436 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.507 13.548 -6.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -0.875 14.820 -4.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -1.138 13.170 -4.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 0.293 13.913 -4.140 1.00 0.00 H new ATOM 421 N PRO A 32 3.552 11.056 -1.158 1.00 0.00 N ATOM 422 CA PRO A 32 3.448 10.554 0.215 1.00 0.00 C ATOM 423 C PRO A 32 2.009 10.246 0.613 1.00 0.00 C ATOM 424 O PRO A 32 1.074 10.901 0.151 1.00 0.00 O ATOM 425 CB PRO A 32 4.000 11.708 1.053 1.00 0.00 C ATOM 426 CG PRO A 32 3.724 12.926 0.242 1.00 0.00 C ATOM 427 CD PRO A 32 3.841 12.503 -1.198 1.00 0.00 C ATOM 0 HA PRO A 32 3.985 9.615 0.349 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.512 11.760 2.026 1.00 0.00 H new ATOM 0 HB3 PRO A 32 5.067 11.588 1.238 1.00 0.00 H new ATOM 0 HG2 PRO A 32 2.729 13.318 0.454 1.00 0.00 H new ATOM 0 HG3 PRO A 32 4.435 13.719 0.475 1.00 0.00 H new ATOM 0 HD2 PRO A 32 3.132 13.036 -1.832 1.00 0.00 H new ATOM 0 HD3 PRO A 32 4.836 12.702 -1.595 1.00 0.00 H new ATOM 435 N GLY A 33 1.839 9.248 1.473 1.00 0.00 N ATOM 436 CA GLY A 33 0.509 8.872 1.918 1.00 0.00 C ATOM 437 C GLY A 33 0.494 8.393 3.357 1.00 0.00 C ATOM 438 O GLY A 33 1.488 7.862 3.852 1.00 0.00 O ATOM 0 H GLY A 33 2.597 8.693 1.870 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.160 9.726 1.815 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.122 8.084 1.272 1.00 0.00 H new ATOM 442 N VAL A 34 -0.636 8.583 4.029 1.00 0.00 N ATOM 443 CA VAL A 34 -0.777 8.168 5.420 1.00 0.00 C ATOM 444 C VAL A 34 -1.162 6.696 5.516 1.00 0.00 C ATOM 445 O VAL A 34 -2.271 6.308 5.151 1.00 0.00 O ATOM 446 CB VAL A 34 -1.835 9.012 6.153 1.00 0.00 C ATOM 447 CG1 VAL A 34 -1.827 8.703 7.643 1.00 0.00 C ATOM 448 CG2 VAL A 34 -1.600 10.495 5.908 1.00 0.00 C ATOM 0 H VAL A 34 -1.468 9.022 3.633 1.00 0.00 H new ATOM 0 HA VAL A 34 0.192 8.320 5.896 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.817 8.753 5.757 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.581 9.309 8.144 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.049 7.647 7.797 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.845 8.931 8.057 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.358 11.075 6.434 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.612 10.772 6.274 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.662 10.702 4.840 1.00 0.00 H new ATOM 458 N VAL A 35 -0.238 5.879 6.013 1.00 0.00 N ATOM 459 CA VAL A 35 -0.481 4.449 6.158 1.00 0.00 C ATOM 460 C VAL A 35 -1.471 4.172 7.285 1.00 0.00 C ATOM 461 O VAL A 35 -1.385 4.764 8.361 1.00 0.00 O ATOM 462 CB VAL A 35 0.825 3.683 6.441 1.00 0.00 C ATOM 463 CG1 VAL A 35 0.586 2.181 6.391 1.00 0.00 C ATOM 464 CG2 VAL A 35 1.907 4.091 5.452 1.00 0.00 C ATOM 0 H VAL A 35 0.685 6.183 6.322 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.901 4.102 5.214 1.00 0.00 H new ATOM 0 HB VAL A 35 1.165 3.940 7.444 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.520 1.657 6.593 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.155 1.905 7.142 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.221 1.903 5.402 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.823 3.540 5.667 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.577 3.865 4.438 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.098 5.160 5.542 1.00 0.00 H new ATOM 474 N GLN A 36 -2.412 3.270 7.029 1.00 0.00 N ATOM 475 CA GLN A 36 -3.420 2.913 8.021 1.00 0.00 C ATOM 476 C GLN A 36 -3.434 1.408 8.266 1.00 0.00 C ATOM 477 O GLN A 36 -3.408 0.955 9.411 1.00 0.00 O ATOM 478 CB GLN A 36 -4.803 3.379 7.563 1.00 0.00 C ATOM 479 CG GLN A 36 -5.156 4.783 8.027 1.00 0.00 C ATOM 480 CD GLN A 36 -5.499 4.839 9.504 1.00 0.00 C ATOM 481 OE1 GLN A 36 -6.622 4.536 9.904 1.00 0.00 O ATOM 482 NE2 GLN A 36 -4.529 5.231 10.321 1.00 0.00 N ATOM 0 H GLN A 36 -2.498 2.772 6.143 1.00 0.00 H new ATOM 0 HA GLN A 36 -3.166 3.413 8.956 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -4.847 3.343 6.474 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -5.554 2.682 7.936 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -4.317 5.450 7.827 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.002 5.152 7.447 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -3.612 5.473 9.945 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -4.700 5.290 11.325 1.00 0.00 H new ATOM 491 N TYR A 37 -3.474 0.637 7.184 1.00 0.00 N ATOM 492 CA TYR A 37 -3.491 -0.818 7.282 1.00 0.00 C ATOM 493 C TYR A 37 -2.159 -1.409 6.832 1.00 0.00 C ATOM 494 O TYR A 37 -1.527 -0.903 5.905 1.00 0.00 O ATOM 495 CB TYR A 37 -4.630 -1.394 6.438 1.00 0.00 C ATOM 496 CG TYR A 37 -5.222 -2.664 7.005 1.00 0.00 C ATOM 497 CD1 TYR A 37 -4.506 -3.854 6.990 1.00 0.00 C ATOM 498 CD2 TYR A 37 -6.498 -2.672 7.557 1.00 0.00 C ATOM 499 CE1 TYR A 37 -5.044 -5.018 7.508 1.00 0.00 C ATOM 500 CE2 TYR A 37 -7.042 -3.832 8.077 1.00 0.00 C ATOM 501 CZ TYR A 37 -6.312 -5.001 8.050 1.00 0.00 C ATOM 502 OH TYR A 37 -6.851 -6.156 8.566 1.00 0.00 O ATOM 0 H TYR A 37 -3.495 0.996 6.229 1.00 0.00 H new ATOM 0 HA TYR A 37 -3.652 -1.085 8.326 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.417 -0.646 6.346 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -4.261 -1.593 5.432 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -3.513 -3.871 6.567 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -7.073 -1.758 7.580 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -4.474 -5.935 7.488 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -8.035 -3.822 8.502 1.00 0.00 H new ATOM 0 HH TYR A 37 -7.750 -5.972 8.909 1.00 0.00 H new ATOM 512 N LEU A 38 -1.739 -2.482 7.494 1.00 0.00 N ATOM 513 CA LEU A 38 -0.482 -3.142 7.162 1.00 0.00 C ATOM 514 C LEU A 38 -0.598 -4.653 7.335 1.00 0.00 C ATOM 515 O LEU A 38 -0.529 -5.166 8.452 1.00 0.00 O ATOM 516 CB LEU A 38 0.649 -2.601 8.038 1.00 0.00 C ATOM 517 CG LEU A 38 1.190 -1.231 7.624 1.00 0.00 C ATOM 518 CD1 LEU A 38 2.352 -0.824 8.517 1.00 0.00 C ATOM 519 CD2 LEU A 38 1.618 -1.247 6.164 1.00 0.00 C ATOM 0 H LEU A 38 -2.251 -2.913 8.264 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.255 -2.931 6.117 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.293 -2.539 9.066 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.470 -3.317 8.028 1.00 0.00 H new ATOM 0 HG LEU A 38 0.394 -0.496 7.741 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.724 0.153 8.208 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.015 -0.773 9.552 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.151 -1.560 8.432 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.000 -0.265 5.886 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.399 -1.994 6.022 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.762 -1.494 5.536 1.00 0.00 H new ATOM 531 N GLY A 39 -0.775 -5.360 6.224 1.00 0.00 N ATOM 532 CA GLY A 39 -0.897 -6.804 6.276 1.00 0.00 C ATOM 533 C GLY A 39 -1.476 -7.384 5.000 1.00 0.00 C ATOM 534 O GLY A 39 -1.522 -6.710 3.970 1.00 0.00 O ATOM 0 H GLY A 39 -0.836 -4.958 5.288 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.084 -7.242 6.458 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.531 -7.082 7.118 1.00 0.00 H new ATOM 538 N GLU A 40 -1.920 -8.634 5.067 1.00 0.00 N ATOM 539 CA GLU A 40 -2.499 -9.304 3.909 1.00 0.00 C ATOM 540 C GLU A 40 -3.922 -8.819 3.654 1.00 0.00 C ATOM 541 O GLU A 40 -4.787 -8.919 4.523 1.00 0.00 O ATOM 542 CB GLU A 40 -2.493 -10.820 4.114 1.00 0.00 C ATOM 543 CG GLU A 40 -1.099 -11.414 4.232 1.00 0.00 C ATOM 544 CD GLU A 40 -1.089 -12.918 4.046 1.00 0.00 C ATOM 545 OE1 GLU A 40 -1.000 -13.373 2.886 1.00 0.00 O ATOM 546 OE2 GLU A 40 -1.169 -13.642 5.062 1.00 0.00 O ATOM 0 H GLU A 40 -1.890 -9.204 5.912 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.890 -9.060 3.038 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.058 -11.058 5.015 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.011 -11.293 3.279 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -0.448 -10.955 3.488 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.686 -11.170 5.211 1.00 0.00 H new ATOM 553 N THR A 41 -4.157 -8.292 2.456 1.00 0.00 N ATOM 554 CA THR A 41 -5.476 -7.791 2.087 1.00 0.00 C ATOM 555 C THR A 41 -6.454 -8.941 1.878 1.00 0.00 C ATOM 556 O THR A 41 -6.105 -10.107 2.056 1.00 0.00 O ATOM 557 CB THR A 41 -5.385 -6.945 0.817 1.00 0.00 C ATOM 558 OG1 THR A 41 -4.488 -7.527 -0.112 1.00 0.00 O ATOM 559 CG2 THR A 41 -4.923 -5.527 1.073 1.00 0.00 C ATOM 0 H THR A 41 -3.451 -8.201 1.725 1.00 0.00 H new ATOM 0 HA THR A 41 -5.844 -7.169 2.903 1.00 0.00 H new ATOM 0 HB THR A 41 -6.400 -6.914 0.420 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.647 -7.025 -0.113 1.00 0.00 H new ATOM 0 HG21 THR A 41 -4.881 -4.982 0.130 1.00 0.00 H new ATOM 0 HG22 THR A 41 -5.623 -5.032 1.747 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.932 -5.544 1.527 1.00 0.00 H new ATOM 567 N GLN A 42 -7.683 -8.604 1.500 1.00 0.00 N ATOM 568 CA GLN A 42 -8.714 -9.609 1.267 1.00 0.00 C ATOM 569 C GLN A 42 -9.016 -9.747 -0.222 1.00 0.00 C ATOM 570 O GLN A 42 -9.387 -10.822 -0.693 1.00 0.00 O ATOM 571 CB GLN A 42 -9.992 -9.245 2.025 1.00 0.00 C ATOM 572 CG GLN A 42 -9.852 -9.346 3.536 1.00 0.00 C ATOM 573 CD GLN A 42 -10.046 -10.761 4.045 1.00 0.00 C ATOM 574 OE1 GLN A 42 -9.097 -11.410 4.485 1.00 0.00 O ATOM 575 NE2 GLN A 42 -11.281 -11.246 3.989 1.00 0.00 N ATOM 0 H GLN A 42 -7.989 -7.643 1.349 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.341 -10.565 1.634 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -10.283 -8.228 1.762 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -10.798 -9.902 1.698 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -8.865 -8.990 3.831 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -10.582 -8.690 4.010 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -12.038 -10.672 3.616 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -11.473 -12.192 4.319 1.00 0.00 H new ATOM 584 N PHE A 43 -8.854 -8.653 -0.959 1.00 0.00 N ATOM 585 CA PHE A 43 -9.111 -8.655 -2.394 1.00 0.00 C ATOM 586 C PHE A 43 -8.073 -9.496 -3.133 1.00 0.00 C ATOM 587 O PHE A 43 -8.396 -10.197 -4.091 1.00 0.00 O ATOM 588 CB PHE A 43 -9.108 -7.224 -2.938 1.00 0.00 C ATOM 589 CG PHE A 43 -7.764 -6.556 -2.872 1.00 0.00 C ATOM 590 CD1 PHE A 43 -6.800 -6.815 -3.834 1.00 0.00 C ATOM 591 CD2 PHE A 43 -7.464 -5.668 -1.851 1.00 0.00 C ATOM 592 CE1 PHE A 43 -5.562 -6.202 -3.777 1.00 0.00 C ATOM 593 CE2 PHE A 43 -6.229 -5.052 -1.789 1.00 0.00 C ATOM 594 CZ PHE A 43 -5.276 -5.319 -2.753 1.00 0.00 C ATOM 0 H PHE A 43 -8.546 -7.755 -0.586 1.00 0.00 H new ATOM 0 HA PHE A 43 -10.094 -9.096 -2.560 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.447 -7.238 -3.974 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -9.828 -6.629 -2.375 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -7.018 -7.503 -4.637 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -8.205 -5.455 -1.095 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.819 -6.413 -4.532 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -6.009 -4.362 -0.988 1.00 0.00 H new ATOM 0 HZ PHE A 43 -4.310 -4.839 -2.706 1.00 0.00 H new ATOM 604 N ALA A 44 -6.826 -9.420 -2.679 1.00 0.00 N ATOM 605 CA ALA A 44 -5.742 -10.173 -3.297 1.00 0.00 C ATOM 606 C ALA A 44 -4.816 -10.773 -2.240 1.00 0.00 C ATOM 607 O ALA A 44 -4.716 -10.257 -1.128 1.00 0.00 O ATOM 608 CB ALA A 44 -4.955 -9.283 -4.246 1.00 0.00 C ATOM 0 H ALA A 44 -6.542 -8.845 -1.886 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.181 -10.993 -3.865 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.149 -9.859 -4.700 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.617 -8.908 -5.026 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.534 -8.443 -3.693 1.00 0.00 H new ATOM 614 N PRO A 45 -4.126 -11.876 -2.577 1.00 0.00 N ATOM 615 CA PRO A 45 -3.206 -12.544 -1.652 1.00 0.00 C ATOM 616 C PRO A 45 -1.939 -11.731 -1.407 1.00 0.00 C ATOM 617 O PRO A 45 -1.863 -10.557 -1.772 1.00 0.00 O ATOM 618 CB PRO A 45 -2.870 -13.853 -2.369 1.00 0.00 C ATOM 619 CG PRO A 45 -3.062 -13.552 -3.815 1.00 0.00 C ATOM 620 CD PRO A 45 -4.188 -12.556 -3.885 1.00 0.00 C ATOM 0 HA PRO A 45 -3.650 -12.684 -0.666 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -1.847 -14.166 -2.162 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -3.523 -14.662 -2.043 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -2.151 -13.143 -4.253 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -3.306 -14.456 -4.373 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.054 -11.855 -4.709 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.149 -13.047 -4.037 1.00 0.00 H new ATOM 628 N GLY A 46 -0.947 -12.362 -0.788 1.00 0.00 N ATOM 629 CA GLY A 46 0.303 -11.681 -0.505 1.00 0.00 C ATOM 630 C GLY A 46 0.134 -10.544 0.484 1.00 0.00 C ATOM 631 O GLY A 46 -0.987 -10.126 0.775 1.00 0.00 O ATOM 0 H GLY A 46 -0.986 -13.333 -0.477 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.022 -12.398 -0.110 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.719 -11.291 -1.434 1.00 0.00 H new ATOM 635 N GLN A 47 1.250 -10.042 1.002 1.00 0.00 N ATOM 636 CA GLN A 47 1.222 -8.947 1.964 1.00 0.00 C ATOM 637 C GLN A 47 0.891 -7.627 1.277 1.00 0.00 C ATOM 638 O GLN A 47 1.255 -7.408 0.121 1.00 0.00 O ATOM 639 CB GLN A 47 2.568 -8.837 2.684 1.00 0.00 C ATOM 640 CG GLN A 47 2.713 -9.800 3.850 1.00 0.00 C ATOM 641 CD GLN A 47 3.506 -11.041 3.487 1.00 0.00 C ATOM 642 OE1 GLN A 47 4.729 -10.995 3.357 1.00 0.00 O ATOM 643 NE2 GLN A 47 2.810 -12.159 3.320 1.00 0.00 N ATOM 0 H GLN A 47 2.186 -10.376 0.771 1.00 0.00 H new ATOM 0 HA GLN A 47 0.443 -9.160 2.696 1.00 0.00 H new ATOM 0 HB2 GLN A 47 3.370 -9.022 1.969 1.00 0.00 H new ATOM 0 HB3 GLN A 47 2.694 -7.817 3.048 1.00 0.00 H new ATOM 0 HG2 GLN A 47 3.203 -9.290 4.679 1.00 0.00 H new ATOM 0 HG3 GLN A 47 1.723 -10.095 4.198 1.00 0.00 H new ATOM 0 HE21 GLN A 47 1.797 -12.151 3.438 1.00 0.00 H new ATOM 0 HE22 GLN A 47 3.288 -13.026 3.074 1.00 0.00 H new ATOM 652 N TRP A 48 0.197 -6.750 1.995 1.00 0.00 N ATOM 653 CA TRP A 48 -0.185 -5.451 1.455 1.00 0.00 C ATOM 654 C TRP A 48 -0.047 -4.359 2.511 1.00 0.00 C ATOM 655 O TRP A 48 0.182 -4.643 3.686 1.00 0.00 O ATOM 656 CB TRP A 48 -1.623 -5.495 0.935 1.00 0.00 C ATOM 657 CG TRP A 48 -1.739 -6.077 -0.439 1.00 0.00 C ATOM 658 CD1 TRP A 48 -1.826 -7.399 -0.759 1.00 0.00 C ATOM 659 CD2 TRP A 48 -1.779 -5.358 -1.676 1.00 0.00 C ATOM 660 NE1 TRP A 48 -1.919 -7.548 -2.122 1.00 0.00 N ATOM 661 CE2 TRP A 48 -1.893 -6.309 -2.708 1.00 0.00 C ATOM 662 CE3 TRP A 48 -1.731 -4.002 -2.013 1.00 0.00 C ATOM 663 CZ2 TRP A 48 -1.958 -5.948 -4.051 1.00 0.00 C ATOM 664 CZ3 TRP A 48 -1.797 -3.645 -3.347 1.00 0.00 C ATOM 665 CH2 TRP A 48 -1.911 -4.614 -4.351 1.00 0.00 C ATOM 0 H TRP A 48 -0.112 -6.916 2.953 1.00 0.00 H new ATOM 0 HA TRP A 48 0.487 -5.218 0.629 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -2.233 -6.081 1.623 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -2.031 -4.484 0.929 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -1.822 -8.210 -0.046 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -1.995 -8.436 -2.617 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -1.644 -3.247 -1.245 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -2.042 -6.694 -4.828 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -1.760 -2.601 -3.619 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -1.963 -4.302 -5.384 1.00 0.00 H new ATOM 676 N ALA A 49 -0.189 -3.108 2.083 1.00 0.00 N ATOM 677 CA ALA A 49 -0.082 -1.973 2.991 1.00 0.00 C ATOM 678 C ALA A 49 -0.966 -0.819 2.532 1.00 0.00 C ATOM 679 O ALA A 49 -0.600 -0.062 1.633 1.00 0.00 O ATOM 680 CB ALA A 49 1.366 -1.521 3.101 1.00 0.00 C ATOM 0 H ALA A 49 -0.378 -2.856 1.113 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.427 -2.291 3.975 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.432 -0.673 3.782 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.975 -2.341 3.482 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.731 -1.225 2.117 1.00 0.00 H new ATOM 686 N GLY A 50 -2.132 -0.689 3.156 1.00 0.00 N ATOM 687 CA GLY A 50 -3.051 0.376 2.797 1.00 0.00 C ATOM 688 C GLY A 50 -2.495 1.752 3.110 1.00 0.00 C ATOM 689 O GLY A 50 -1.932 1.972 4.182 1.00 0.00 O ATOM 0 H GLY A 50 -2.457 -1.302 3.904 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.278 0.313 1.733 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.990 0.237 3.332 1.00 0.00 H new ATOM 693 N VAL A 51 -2.655 2.680 2.171 1.00 0.00 N ATOM 694 CA VAL A 51 -2.165 4.040 2.351 1.00 0.00 C ATOM 695 C VAL A 51 -3.232 5.062 1.973 1.00 0.00 C ATOM 696 O VAL A 51 -4.157 4.759 1.221 1.00 0.00 O ATOM 697 CB VAL A 51 -0.902 4.300 1.510 1.00 0.00 C ATOM 698 CG1 VAL A 51 -0.292 5.647 1.862 1.00 0.00 C ATOM 699 CG2 VAL A 51 0.110 3.180 1.705 1.00 0.00 C ATOM 0 H VAL A 51 -3.120 2.514 1.279 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.917 4.149 3.407 1.00 0.00 H new ATOM 0 HB VAL A 51 -1.187 4.322 0.458 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.599 5.812 1.257 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.016 6.437 1.664 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.021 5.659 2.918 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.996 3.381 1.103 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.391 3.123 2.757 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.332 2.233 1.396 1.00 0.00 H new ATOM 709 N VAL A 52 -3.097 6.275 2.502 1.00 0.00 N ATOM 710 CA VAL A 52 -4.051 7.341 2.221 1.00 0.00 C ATOM 711 C VAL A 52 -3.360 8.539 1.577 1.00 0.00 C ATOM 712 O VAL A 52 -2.625 9.273 2.238 1.00 0.00 O ATOM 713 CB VAL A 52 -4.769 7.805 3.501 1.00 0.00 C ATOM 714 CG1 VAL A 52 -5.899 8.765 3.162 1.00 0.00 C ATOM 715 CG2 VAL A 52 -5.293 6.609 4.281 1.00 0.00 C ATOM 0 H VAL A 52 -2.337 6.543 3.127 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.787 6.932 1.529 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.051 8.333 4.128 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.395 9.082 4.080 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.494 9.637 2.649 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.619 8.265 2.515 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.798 6.956 5.183 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.997 6.051 3.663 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.461 5.962 4.557 1.00 0.00 H new ATOM 725 N LEU A 53 -3.601 8.731 0.284 1.00 0.00 N ATOM 726 CA LEU A 53 -3.002 9.840 -0.448 1.00 0.00 C ATOM 727 C LEU A 53 -3.639 11.166 -0.042 1.00 0.00 C ATOM 728 O LEU A 53 -4.847 11.243 0.181 1.00 0.00 O ATOM 729 CB LEU A 53 -3.156 9.626 -1.955 1.00 0.00 C ATOM 730 CG LEU A 53 -2.406 8.418 -2.518 1.00 0.00 C ATOM 731 CD1 LEU A 53 -2.850 8.131 -3.944 1.00 0.00 C ATOM 732 CD2 LEU A 53 -0.904 8.652 -2.462 1.00 0.00 C ATOM 0 H LEU A 53 -4.207 8.133 -0.278 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.941 9.876 -0.200 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.216 9.515 -2.184 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.810 10.522 -2.471 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.642 7.548 -1.905 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.306 7.268 -4.328 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.919 7.920 -3.957 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.644 8.999 -4.571 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.385 7.783 -2.866 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.651 9.533 -3.052 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.598 8.808 -1.427 1.00 0.00 H new ATOM 744 N ASP A 54 -2.818 12.207 0.050 1.00 0.00 N ATOM 745 CA ASP A 54 -3.301 13.530 0.429 1.00 0.00 C ATOM 746 C ASP A 54 -4.302 14.058 -0.595 1.00 0.00 C ATOM 747 O ASP A 54 -5.232 14.785 -0.250 1.00 0.00 O ATOM 748 CB ASP A 54 -2.129 14.505 0.562 1.00 0.00 C ATOM 749 CG ASP A 54 -2.449 15.672 1.474 1.00 0.00 C ATOM 750 OD1 ASP A 54 -2.682 15.439 2.678 1.00 0.00 O ATOM 751 OD2 ASP A 54 -2.467 16.821 0.983 1.00 0.00 O ATOM 0 H ASP A 54 -1.816 12.160 -0.133 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.804 13.443 1.392 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.260 13.973 0.948 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.860 14.882 -0.425 1.00 0.00 H new ATOM 756 N ASP A 55 -4.104 13.685 -1.855 1.00 0.00 N ATOM 757 CA ASP A 55 -4.989 14.120 -2.930 1.00 0.00 C ATOM 758 C ASP A 55 -5.841 12.960 -3.437 1.00 0.00 C ATOM 759 O ASP A 55 -5.460 11.796 -3.309 1.00 0.00 O ATOM 760 CB ASP A 55 -4.173 14.716 -4.080 1.00 0.00 C ATOM 761 CG ASP A 55 -4.443 16.195 -4.277 1.00 0.00 C ATOM 762 OD1 ASP A 55 -4.835 16.862 -3.297 1.00 0.00 O ATOM 763 OD2 ASP A 55 -4.263 16.685 -5.411 1.00 0.00 O ATOM 0 H ASP A 55 -3.338 13.082 -2.157 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.655 14.886 -2.533 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.111 14.567 -3.884 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.405 14.182 -5.001 1.00 0.00 H new ATOM 768 N PRO A 56 -7.013 13.262 -4.022 1.00 0.00 N ATOM 769 CA PRO A 56 -7.920 12.238 -4.549 1.00 0.00 C ATOM 770 C PRO A 56 -7.382 11.587 -5.820 1.00 0.00 C ATOM 771 O PRO A 56 -7.991 11.681 -6.886 1.00 0.00 O ATOM 772 CB PRO A 56 -9.200 13.021 -4.849 1.00 0.00 C ATOM 773 CG PRO A 56 -8.739 14.414 -5.104 1.00 0.00 C ATOM 774 CD PRO A 56 -7.544 14.626 -4.215 1.00 0.00 C ATOM 0 HA PRO A 56 -8.061 11.416 -3.847 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -9.721 12.612 -5.714 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -9.895 12.981 -4.010 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -8.474 14.551 -6.152 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -9.526 15.133 -4.877 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -6.808 15.281 -4.681 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -7.825 15.085 -3.267 1.00 0.00 H new ATOM 782 N VAL A 57 -6.236 10.925 -5.699 1.00 0.00 N ATOM 783 CA VAL A 57 -5.615 10.257 -6.837 1.00 0.00 C ATOM 784 C VAL A 57 -5.254 8.815 -6.498 1.00 0.00 C ATOM 785 O VAL A 57 -4.287 8.266 -7.025 1.00 0.00 O ATOM 786 CB VAL A 57 -4.346 10.997 -7.300 1.00 0.00 C ATOM 787 CG1 VAL A 57 -4.708 12.310 -7.977 1.00 0.00 C ATOM 788 CG2 VAL A 57 -3.409 11.234 -6.125 1.00 0.00 C ATOM 0 H VAL A 57 -5.719 10.837 -4.824 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.346 10.265 -7.645 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.829 10.372 -8.028 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.798 12.818 -8.297 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.336 12.111 -8.845 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -5.250 12.944 -7.275 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.518 11.758 -6.470 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.916 11.837 -5.372 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.122 10.277 -5.690 1.00 0.00 H new ATOM 798 N GLY A 58 -6.038 8.206 -5.614 1.00 0.00 N ATOM 799 CA GLY A 58 -5.784 6.833 -5.220 1.00 0.00 C ATOM 800 C GLY A 58 -6.489 5.832 -6.115 1.00 0.00 C ATOM 801 O GLY A 58 -6.310 5.845 -7.332 1.00 0.00 O ATOM 0 H GLY A 58 -6.844 8.639 -5.164 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.711 6.644 -5.244 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.110 6.688 -4.190 1.00 0.00 H new ATOM 805 N LYS A 59 -7.293 4.964 -5.509 1.00 0.00 N ATOM 806 CA LYS A 59 -8.028 3.952 -6.260 1.00 0.00 C ATOM 807 C LYS A 59 -9.308 3.558 -5.530 1.00 0.00 C ATOM 808 O LYS A 59 -10.403 3.652 -6.083 1.00 0.00 O ATOM 809 CB LYS A 59 -7.153 2.718 -6.483 1.00 0.00 C ATOM 810 CG LYS A 59 -5.935 2.984 -7.352 1.00 0.00 C ATOM 811 CD LYS A 59 -5.304 1.690 -7.838 1.00 0.00 C ATOM 812 CE LYS A 59 -4.082 1.957 -8.704 1.00 0.00 C ATOM 813 NZ LYS A 59 -3.455 0.695 -9.184 1.00 0.00 N ATOM 0 H LYS A 59 -7.452 4.941 -4.502 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.298 4.376 -7.227 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.823 2.338 -5.516 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.755 1.935 -6.945 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -6.224 3.593 -8.208 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.201 3.558 -6.786 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.018 1.079 -6.982 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.037 1.118 -8.407 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.370 2.568 -9.560 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.352 2.531 -8.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.626 0.920 -9.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.157 0.123 -8.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.143 0.159 -9.750 1.00 0.00 H new ATOM 827 N ASN A 60 -9.162 3.115 -4.286 1.00 0.00 N ATOM 828 CA ASN A 60 -10.306 2.705 -3.481 1.00 0.00 C ATOM 829 C ASN A 60 -10.735 3.824 -2.537 1.00 0.00 C ATOM 830 O ASN A 60 -10.092 4.871 -2.467 1.00 0.00 O ATOM 831 CB ASN A 60 -9.969 1.447 -2.680 1.00 0.00 C ATOM 832 CG ASN A 60 -9.529 0.297 -3.566 1.00 0.00 C ATOM 833 OD1 ASN A 60 -10.349 -0.342 -4.225 1.00 0.00 O ATOM 834 ND2 ASN A 60 -8.229 0.029 -3.584 1.00 0.00 N ATOM 0 H ASN A 60 -8.262 3.031 -3.813 1.00 0.00 H new ATOM 0 HA ASN A 60 -11.133 2.486 -4.156 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -9.178 1.675 -1.966 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -10.842 1.143 -2.102 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -7.873 -0.733 -4.161 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.586 0.586 -3.021 1.00 0.00 H new ATOM 841 N ASP A 61 -11.825 3.595 -1.812 1.00 0.00 N ATOM 842 CA ASP A 61 -12.340 4.583 -0.871 1.00 0.00 C ATOM 843 C ASP A 61 -12.436 3.998 0.534 1.00 0.00 C ATOM 844 O ASP A 61 -13.346 4.329 1.294 1.00 0.00 O ATOM 845 CB ASP A 61 -13.714 5.082 -1.323 1.00 0.00 C ATOM 846 CG ASP A 61 -14.692 3.947 -1.559 1.00 0.00 C ATOM 847 OD1 ASP A 61 -14.654 3.349 -2.655 1.00 0.00 O ATOM 848 OD2 ASP A 61 -15.495 3.659 -0.649 1.00 0.00 O ATOM 0 H ASP A 61 -12.369 2.733 -1.858 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.645 5.423 -0.849 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -14.119 5.756 -0.568 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -13.604 5.660 -2.241 1.00 0.00 H new ATOM 853 N GLY A 62 -11.492 3.126 0.873 1.00 0.00 N ATOM 854 CA GLY A 62 -11.488 2.509 2.186 1.00 0.00 C ATOM 855 C GLY A 62 -12.127 1.135 2.183 1.00 0.00 C ATOM 856 O GLY A 62 -11.750 0.266 2.970 1.00 0.00 O ATOM 0 H GLY A 62 -10.729 2.836 0.261 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -10.461 2.428 2.543 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -12.019 3.152 2.888 1.00 0.00 H new ATOM 860 N ALA A 63 -13.095 0.936 1.295 1.00 0.00 N ATOM 861 CA ALA A 63 -13.788 -0.343 1.192 1.00 0.00 C ATOM 862 C ALA A 63 -13.529 -0.999 -0.160 1.00 0.00 C ATOM 863 O ALA A 63 -13.662 -0.364 -1.205 1.00 0.00 O ATOM 864 CB ALA A 63 -15.281 -0.153 1.411 1.00 0.00 C ATOM 0 H ALA A 63 -13.418 1.644 0.636 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.399 -1.003 1.968 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -15.786 -1.116 1.331 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -15.453 0.266 2.403 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -15.676 0.527 0.656 1.00 0.00 H new ATOM 870 N VAL A 64 -13.159 -2.276 -0.131 1.00 0.00 N ATOM 871 CA VAL A 64 -12.880 -3.019 -1.354 1.00 0.00 C ATOM 872 C VAL A 64 -13.674 -4.320 -1.396 1.00 0.00 C ATOM 873 O VAL A 64 -13.333 -5.290 -0.719 1.00 0.00 O ATOM 874 CB VAL A 64 -11.380 -3.340 -1.488 1.00 0.00 C ATOM 875 CG1 VAL A 64 -11.086 -3.976 -2.839 1.00 0.00 C ATOM 876 CG2 VAL A 64 -10.543 -2.084 -1.290 1.00 0.00 C ATOM 0 H VAL A 64 -13.046 -2.817 0.726 1.00 0.00 H new ATOM 0 HA VAL A 64 -13.181 -2.384 -2.187 1.00 0.00 H new ATOM 0 HB VAL A 64 -11.112 -4.054 -0.710 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -10.021 -4.195 -2.914 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -11.655 -4.901 -2.937 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -11.372 -3.288 -3.635 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -9.486 -2.332 -1.388 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -10.814 -1.344 -2.043 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -10.729 -1.676 -0.297 1.00 0.00 H new ATOM 886 N GLY A 65 -14.735 -4.335 -2.197 1.00 0.00 N ATOM 887 CA GLY A 65 -15.560 -5.523 -2.312 1.00 0.00 C ATOM 888 C GLY A 65 -16.294 -5.846 -1.027 1.00 0.00 C ATOM 889 O GLY A 65 -16.553 -7.012 -0.727 1.00 0.00 O ATOM 0 H GLY A 65 -15.038 -3.546 -2.768 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -16.284 -5.382 -3.115 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -14.934 -6.370 -2.592 1.00 0.00 H new ATOM 893 N GLY A 66 -16.632 -4.811 -0.264 1.00 0.00 N ATOM 894 CA GLY A 66 -17.338 -5.011 0.988 1.00 0.00 C ATOM 895 C GLY A 66 -16.398 -5.245 2.154 1.00 0.00 C ATOM 896 O GLY A 66 -16.748 -5.929 3.115 1.00 0.00 O ATOM 0 H GLY A 66 -16.429 -3.837 -0.491 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -17.958 -4.139 1.195 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -18.010 -5.864 0.890 1.00 0.00 H new ATOM 900 N VAL A 67 -15.199 -4.675 2.069 1.00 0.00 N ATOM 901 CA VAL A 67 -14.206 -4.825 3.125 1.00 0.00 C ATOM 902 C VAL A 67 -13.548 -3.489 3.455 1.00 0.00 C ATOM 903 O VAL A 67 -12.693 -3.006 2.713 1.00 0.00 O ATOM 904 CB VAL A 67 -13.114 -5.836 2.730 1.00 0.00 C ATOM 905 CG1 VAL A 67 -12.203 -6.130 3.911 1.00 0.00 C ATOM 906 CG2 VAL A 67 -13.739 -7.117 2.198 1.00 0.00 C ATOM 0 H VAL A 67 -14.893 -4.106 1.280 1.00 0.00 H new ATOM 0 HA VAL A 67 -14.734 -5.195 4.004 1.00 0.00 H new ATOM 0 HB VAL A 67 -12.510 -5.396 1.937 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -11.438 -6.846 3.611 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -11.726 -5.207 4.241 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -12.791 -6.547 4.729 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -12.952 -7.819 1.924 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -14.370 -7.561 2.968 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -14.344 -6.889 1.320 1.00 0.00 H new ATOM 916 N ARG A 68 -13.954 -2.896 4.573 1.00 0.00 N ATOM 917 CA ARG A 68 -13.403 -1.616 5.003 1.00 0.00 C ATOM 918 C ARG A 68 -12.128 -1.817 5.815 1.00 0.00 C ATOM 919 O ARG A 68 -12.093 -2.624 6.744 1.00 0.00 O ATOM 920 CB ARG A 68 -14.436 -0.846 5.830 1.00 0.00 C ATOM 921 CG ARG A 68 -15.206 0.191 5.028 1.00 0.00 C ATOM 922 CD ARG A 68 -15.497 1.432 5.856 1.00 0.00 C ATOM 923 NE ARG A 68 -16.308 2.401 5.123 1.00 0.00 N ATOM 924 CZ ARG A 68 -16.927 3.432 5.694 1.00 0.00 C ATOM 925 NH1 ARG A 68 -16.832 3.631 7.002 1.00 0.00 N ATOM 926 NH2 ARG A 68 -17.645 4.266 4.953 1.00 0.00 N ATOM 0 H ARG A 68 -14.662 -3.281 5.197 1.00 0.00 H new ATOM 0 HA ARG A 68 -13.155 -1.037 4.113 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -15.141 -1.554 6.265 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -13.930 -0.350 6.658 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -14.632 0.469 4.144 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -16.143 -0.241 4.677 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -16.015 1.144 6.771 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -14.558 1.897 6.154 1.00 0.00 H new ATOM 0 HE ARG A 68 -16.406 2.281 4.115 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -16.282 2.992 7.576 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -17.309 4.423 7.433 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -17.722 4.117 3.947 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -18.120 5.056 5.389 1.00 0.00 H new ATOM 940 N TYR A 69 -11.082 -1.080 5.458 1.00 0.00 N ATOM 941 CA TYR A 69 -9.805 -1.176 6.154 1.00 0.00 C ATOM 942 C TYR A 69 -9.588 0.028 7.064 1.00 0.00 C ATOM 943 O TYR A 69 -9.266 -0.121 8.242 1.00 0.00 O ATOM 944 CB TYR A 69 -8.659 -1.284 5.147 1.00 0.00 C ATOM 945 CG TYR A 69 -8.811 -2.432 4.175 1.00 0.00 C ATOM 946 CD1 TYR A 69 -9.722 -2.363 3.128 1.00 0.00 C ATOM 947 CD2 TYR A 69 -8.044 -3.583 4.303 1.00 0.00 C ATOM 948 CE1 TYR A 69 -9.864 -3.410 2.237 1.00 0.00 C ATOM 949 CE2 TYR A 69 -8.181 -4.633 3.417 1.00 0.00 C ATOM 950 CZ TYR A 69 -9.092 -4.542 2.385 1.00 0.00 C ATOM 951 OH TYR A 69 -9.231 -5.587 1.501 1.00 0.00 O ATOM 0 H TYR A 69 -11.094 -0.409 4.690 1.00 0.00 H new ATOM 0 HA TYR A 69 -9.823 -2.074 6.771 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -8.590 -0.352 4.587 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.720 -1.400 5.689 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -10.329 -1.477 3.009 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -7.329 -3.658 5.109 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -10.577 -3.341 1.428 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -7.578 -5.521 3.531 1.00 0.00 H new ATOM 0 HH TYR A 69 -8.432 -5.647 0.937 1.00 0.00 H new ATOM 961 N PHE A 70 -9.766 1.222 6.508 1.00 0.00 N ATOM 962 CA PHE A 70 -9.589 2.454 7.268 1.00 0.00 C ATOM 963 C PHE A 70 -10.576 3.522 6.809 1.00 0.00 C ATOM 964 O PHE A 70 -10.780 3.719 5.611 1.00 0.00 O ATOM 965 CB PHE A 70 -8.156 2.968 7.119 1.00 0.00 C ATOM 966 CG PHE A 70 -7.691 3.042 5.693 1.00 0.00 C ATOM 967 CD1 PHE A 70 -8.031 4.123 4.895 1.00 0.00 C ATOM 968 CD2 PHE A 70 -6.914 2.030 5.150 1.00 0.00 C ATOM 969 CE1 PHE A 70 -7.604 4.192 3.582 1.00 0.00 C ATOM 970 CE2 PHE A 70 -6.485 2.096 3.839 1.00 0.00 C ATOM 971 CZ PHE A 70 -6.830 3.178 3.054 1.00 0.00 C ATOM 0 H PHE A 70 -10.033 1.362 5.534 1.00 0.00 H new ATOM 0 HA PHE A 70 -9.781 2.235 8.318 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -8.085 3.959 7.568 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -7.485 2.316 7.678 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -8.636 4.919 5.303 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.641 1.181 5.759 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -7.876 5.039 2.969 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -5.880 1.301 3.428 1.00 0.00 H new ATOM 0 HZ PHE A 70 -6.495 3.231 2.029 1.00 0.00 H new ATOM 981 N GLU A 71 -11.185 4.210 7.769 1.00 0.00 N ATOM 982 CA GLU A 71 -12.150 5.259 7.462 1.00 0.00 C ATOM 983 C GLU A 71 -11.451 6.502 6.922 1.00 0.00 C ATOM 984 O GLU A 71 -10.781 7.221 7.664 1.00 0.00 O ATOM 985 CB GLU A 71 -12.960 5.617 8.711 1.00 0.00 C ATOM 986 CG GLU A 71 -14.356 6.132 8.402 1.00 0.00 C ATOM 987 CD GLU A 71 -15.209 6.285 9.647 1.00 0.00 C ATOM 988 OE1 GLU A 71 -15.712 5.260 10.151 1.00 0.00 O ATOM 989 OE2 GLU A 71 -15.371 7.431 10.117 1.00 0.00 O ATOM 0 H GLU A 71 -11.027 4.060 8.766 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.826 4.882 6.694 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -13.039 4.736 9.348 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -12.420 6.374 9.280 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -14.281 7.095 7.897 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -14.847 5.447 7.711 1.00 0.00 H new ATOM 996 N CYS A 72 -11.613 6.749 5.626 1.00 0.00 N ATOM 997 CA CYS A 72 -10.998 7.906 4.986 1.00 0.00 C ATOM 998 C CYS A 72 -11.763 8.304 3.727 1.00 0.00 C ATOM 999 O CYS A 72 -12.561 7.525 3.205 1.00 0.00 O ATOM 1000 CB CYS A 72 -9.539 7.605 4.637 1.00 0.00 C ATOM 1001 SG CYS A 72 -8.391 7.809 6.019 1.00 0.00 S ATOM 0 H CYS A 72 -12.165 6.164 4.999 1.00 0.00 H new ATOM 0 HA CYS A 72 -11.033 8.739 5.688 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -9.469 6.582 4.269 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -9.229 8.259 3.822 1.00 0.00 H new ATOM 0 HG CYS A 72 -9.030 7.652 7.140 1.00 0.00 H new ATOM 1007 N PRO A 73 -11.529 9.526 3.221 1.00 0.00 N ATOM 1008 CA PRO A 73 -12.202 10.025 2.017 1.00 0.00 C ATOM 1009 C PRO A 73 -12.081 9.058 0.845 1.00 0.00 C ATOM 1010 O PRO A 73 -11.241 8.158 0.852 1.00 0.00 O ATOM 1011 CB PRO A 73 -11.465 11.330 1.711 1.00 0.00 C ATOM 1012 CG PRO A 73 -10.919 11.774 3.024 1.00 0.00 C ATOM 1013 CD PRO A 73 -10.592 10.518 3.781 1.00 0.00 C ATOM 0 HA PRO A 73 -13.273 10.153 2.173 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -10.668 11.174 0.984 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -12.139 12.076 1.290 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -10.031 12.391 2.889 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -11.647 12.378 3.566 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -9.554 10.219 3.633 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -10.737 10.646 4.854 1.00 0.00 H new ATOM 1021 N ALA A 74 -12.927 9.250 -0.163 1.00 0.00 N ATOM 1022 CA ALA A 74 -12.915 8.393 -1.344 1.00 0.00 C ATOM 1023 C ALA A 74 -11.790 8.787 -2.296 1.00 0.00 C ATOM 1024 O ALA A 74 -11.326 9.926 -2.286 1.00 0.00 O ATOM 1025 CB ALA A 74 -14.258 8.460 -2.055 1.00 0.00 C ATOM 0 H ALA A 74 -13.628 9.990 -0.186 1.00 0.00 H new ATOM 0 HA ALA A 74 -12.738 7.368 -1.019 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -14.237 7.816 -2.934 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -15.045 8.125 -1.379 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -14.456 9.487 -2.362 1.00 0.00 H new ATOM 1031 N LEU A 75 -11.358 7.835 -3.117 1.00 0.00 N ATOM 1032 CA LEU A 75 -10.288 8.082 -4.076 1.00 0.00 C ATOM 1033 C LEU A 75 -9.003 8.501 -3.366 1.00 0.00 C ATOM 1034 O LEU A 75 -8.178 9.220 -3.930 1.00 0.00 O ATOM 1035 CB LEU A 75 -10.708 9.163 -5.073 1.00 0.00 C ATOM 1036 CG LEU A 75 -11.866 8.779 -5.996 1.00 0.00 C ATOM 1037 CD1 LEU A 75 -12.703 10.002 -6.339 1.00 0.00 C ATOM 1038 CD2 LEU A 75 -11.340 8.118 -7.261 1.00 0.00 C ATOM 0 H LEU A 75 -11.732 6.886 -3.137 1.00 0.00 H new ATOM 0 HA LEU A 75 -10.097 7.154 -4.614 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -10.988 10.059 -4.518 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -9.846 9.424 -5.687 1.00 0.00 H new ATOM 0 HG LEU A 75 -12.502 8.065 -5.474 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -13.522 9.710 -6.996 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -13.108 10.434 -5.424 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -12.079 10.740 -6.843 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -12.176 7.851 -7.907 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -10.682 8.810 -7.787 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -10.784 7.218 -6.997 1.00 0.00 H new ATOM 1050 N GLN A 76 -8.841 8.047 -2.127 1.00 0.00 N ATOM 1051 CA GLN A 76 -7.656 8.376 -1.342 1.00 0.00 C ATOM 1052 C GLN A 76 -7.002 7.116 -0.788 1.00 0.00 C ATOM 1053 O GLN A 76 -5.779 6.979 -0.804 1.00 0.00 O ATOM 1054 CB GLN A 76 -8.023 9.321 -0.197 1.00 0.00 C ATOM 1055 CG GLN A 76 -7.920 10.793 -0.566 1.00 0.00 C ATOM 1056 CD GLN A 76 -8.172 11.709 0.615 1.00 0.00 C ATOM 1057 OE1 GLN A 76 -9.003 12.613 0.548 1.00 0.00 O ATOM 1058 NE2 GLN A 76 -7.450 11.479 1.706 1.00 0.00 N ATOM 0 H GLN A 76 -9.514 7.451 -1.645 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.943 8.873 -1.999 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -9.041 9.107 0.128 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.369 9.121 0.652 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -6.928 10.994 -0.971 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -8.638 11.017 -1.355 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -6.771 10.718 1.717 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.574 12.064 2.532 1.00 0.00 H new ATOM 1067 N GLY A 77 -7.826 6.199 -0.297 1.00 0.00 N ATOM 1068 CA GLY A 77 -7.313 4.960 0.257 1.00 0.00 C ATOM 1069 C GLY A 77 -6.743 4.041 -0.805 1.00 0.00 C ATOM 1070 O GLY A 77 -7.388 3.074 -1.210 1.00 0.00 O ATOM 0 H GLY A 77 -8.842 6.291 -0.272 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -6.539 5.187 0.990 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -8.113 4.444 0.788 1.00 0.00 H new ATOM 1074 N ILE A 78 -5.530 4.343 -1.256 1.00 0.00 N ATOM 1075 CA ILE A 78 -4.872 3.538 -2.278 1.00 0.00 C ATOM 1076 C ILE A 78 -4.107 2.375 -1.652 1.00 0.00 C ATOM 1077 O ILE A 78 -3.597 2.483 -0.537 1.00 0.00 O ATOM 1078 CB ILE A 78 -3.902 4.386 -3.125 1.00 0.00 C ATOM 1079 CG1 ILE A 78 -3.303 3.547 -4.256 1.00 0.00 C ATOM 1080 CG2 ILE A 78 -2.803 4.971 -2.250 1.00 0.00 C ATOM 1081 CD1 ILE A 78 -2.777 4.373 -5.408 1.00 0.00 C ATOM 0 H ILE A 78 -4.983 5.140 -0.930 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.655 3.145 -2.926 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.461 5.209 -3.569 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.492 2.939 -3.856 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -4.063 2.860 -4.629 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -2.127 5.567 -2.864 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -3.248 5.603 -1.482 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.246 4.163 -1.777 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -2.368 3.712 -6.172 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.589 4.962 -5.834 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -1.994 5.041 -5.049 1.00 0.00 H new ATOM 1093 N PHE A 79 -4.032 1.264 -2.377 1.00 0.00 N ATOM 1094 CA PHE A 79 -3.329 0.080 -1.893 1.00 0.00 C ATOM 1095 C PHE A 79 -2.099 -0.209 -2.747 1.00 0.00 C ATOM 1096 O PHE A 79 -2.144 -0.107 -3.973 1.00 0.00 O ATOM 1097 CB PHE A 79 -4.264 -1.130 -1.897 1.00 0.00 C ATOM 1098 CG PHE A 79 -4.984 -1.338 -0.596 1.00 0.00 C ATOM 1099 CD1 PHE A 79 -6.150 -0.645 -0.315 1.00 0.00 C ATOM 1100 CD2 PHE A 79 -4.494 -2.227 0.347 1.00 0.00 C ATOM 1101 CE1 PHE A 79 -6.814 -0.833 0.882 1.00 0.00 C ATOM 1102 CE2 PHE A 79 -5.153 -2.421 1.547 1.00 0.00 C ATOM 1103 CZ PHE A 79 -6.315 -1.723 1.813 1.00 0.00 C ATOM 0 H PHE A 79 -4.449 1.158 -3.302 1.00 0.00 H new ATOM 0 HA PHE A 79 -3.002 0.274 -0.872 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -4.998 -1.009 -2.693 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -3.686 -2.024 -2.130 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -6.545 0.051 -1.040 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -3.586 -2.775 0.142 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -7.721 -0.285 1.089 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -4.760 -3.116 2.274 1.00 0.00 H new ATOM 0 HZ PHE A 79 -6.833 -1.873 2.749 1.00 0.00 H new ATOM 1113 N THR A 80 -1.000 -0.568 -2.090 1.00 0.00 N ATOM 1114 CA THR A 80 0.243 -0.872 -2.789 1.00 0.00 C ATOM 1115 C THR A 80 1.139 -1.767 -1.938 1.00 0.00 C ATOM 1116 O THR A 80 0.946 -1.886 -0.728 1.00 0.00 O ATOM 1117 CB THR A 80 0.981 0.419 -3.146 1.00 0.00 C ATOM 1118 OG1 THR A 80 2.179 0.136 -3.847 1.00 0.00 O ATOM 1119 CG2 THR A 80 1.343 1.256 -1.937 1.00 0.00 C ATOM 0 H THR A 80 -0.946 -0.655 -1.075 1.00 0.00 H new ATOM 0 HA THR A 80 -0.005 -1.404 -3.707 1.00 0.00 H new ATOM 0 HB THR A 80 0.286 0.986 -3.766 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.467 0.934 -4.338 1.00 0.00 H new ATOM 0 HG21 THR A 80 1.864 2.157 -2.261 1.00 0.00 H new ATOM 0 HG22 THR A 80 0.435 1.534 -1.402 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.991 0.680 -1.276 1.00 0.00 H new ATOM 1127 N ARG A 81 2.121 -2.393 -2.579 1.00 0.00 N ATOM 1128 CA ARG A 81 3.046 -3.277 -1.881 1.00 0.00 C ATOM 1129 C ARG A 81 3.956 -2.484 -0.943 1.00 0.00 C ATOM 1130 O ARG A 81 4.412 -1.394 -1.287 1.00 0.00 O ATOM 1131 CB ARG A 81 3.893 -4.061 -2.886 1.00 0.00 C ATOM 1132 CG ARG A 81 3.082 -4.680 -4.013 1.00 0.00 C ATOM 1133 CD ARG A 81 3.945 -5.560 -4.902 1.00 0.00 C ATOM 1134 NE ARG A 81 3.258 -5.934 -6.135 1.00 0.00 N ATOM 1135 CZ ARG A 81 3.113 -5.121 -7.180 1.00 0.00 C ATOM 1136 NH1 ARG A 81 3.607 -3.889 -7.145 1.00 0.00 N ATOM 1137 NH2 ARG A 81 2.475 -5.541 -8.264 1.00 0.00 N ATOM 0 H ARG A 81 2.296 -2.304 -3.580 1.00 0.00 H new ATOM 0 HA ARG A 81 2.459 -3.976 -1.285 1.00 0.00 H new ATOM 0 HB2 ARG A 81 4.644 -3.396 -3.313 1.00 0.00 H new ATOM 0 HB3 ARG A 81 4.429 -4.850 -2.359 1.00 0.00 H new ATOM 0 HG2 ARG A 81 2.268 -5.271 -3.594 1.00 0.00 H new ATOM 0 HG3 ARG A 81 2.628 -3.891 -4.612 1.00 0.00 H new ATOM 0 HD2 ARG A 81 4.868 -5.034 -5.147 1.00 0.00 H new ATOM 0 HD3 ARG A 81 4.227 -6.461 -4.357 1.00 0.00 H new ATOM 0 HE ARG A 81 2.866 -6.873 -6.200 1.00 0.00 H new ATOM 0 HH11 ARG A 81 4.101 -3.561 -6.315 1.00 0.00 H new ATOM 0 HH12 ARG A 81 3.493 -3.271 -7.948 1.00 0.00 H new ATOM 0 HH21 ARG A 81 2.095 -6.487 -8.298 1.00 0.00 H new ATOM 0 HH22 ARG A 81 2.364 -4.918 -9.064 1.00 0.00 H new ATOM 1151 N PRO A 82 4.233 -3.021 0.259 1.00 0.00 N ATOM 1152 CA PRO A 82 5.095 -2.353 1.241 1.00 0.00 C ATOM 1153 C PRO A 82 6.452 -1.974 0.658 1.00 0.00 C ATOM 1154 O PRO A 82 6.936 -0.860 0.859 1.00 0.00 O ATOM 1155 CB PRO A 82 5.263 -3.400 2.345 1.00 0.00 C ATOM 1156 CG PRO A 82 4.069 -4.281 2.220 1.00 0.00 C ATOM 1157 CD PRO A 82 3.735 -4.317 0.755 1.00 0.00 C ATOM 0 HA PRO A 82 4.661 -1.416 1.589 1.00 0.00 H new ATOM 0 HB2 PRO A 82 6.186 -3.965 2.217 1.00 0.00 H new ATOM 0 HB3 PRO A 82 5.309 -2.933 3.329 1.00 0.00 H new ATOM 0 HG2 PRO A 82 4.281 -5.282 2.597 1.00 0.00 H new ATOM 0 HG3 PRO A 82 3.234 -3.891 2.802 1.00 0.00 H new ATOM 0 HD2 PRO A 82 4.221 -5.153 0.252 1.00 0.00 H new ATOM 0 HD3 PRO A 82 2.663 -4.425 0.590 1.00 0.00 H new ATOM 1165 N SER A 83 7.061 -2.907 -0.065 1.00 0.00 N ATOM 1166 CA SER A 83 8.364 -2.674 -0.677 1.00 0.00 C ATOM 1167 C SER A 83 8.314 -1.487 -1.634 1.00 0.00 C ATOM 1168 O SER A 83 9.301 -0.771 -1.805 1.00 0.00 O ATOM 1169 CB SER A 83 8.832 -3.925 -1.423 1.00 0.00 C ATOM 1170 OG SER A 83 10.228 -4.118 -1.269 1.00 0.00 O ATOM 0 H SER A 83 6.673 -3.833 -0.242 1.00 0.00 H new ATOM 0 HA SER A 83 9.074 -2.446 0.118 1.00 0.00 H new ATOM 0 HB2 SER A 83 8.297 -4.798 -1.048 1.00 0.00 H new ATOM 0 HB3 SER A 83 8.589 -3.833 -2.482 1.00 0.00 H new ATOM 0 HG SER A 83 10.502 -4.925 -1.753 1.00 0.00 H new ATOM 1176 N LYS A 84 7.156 -1.283 -2.255 1.00 0.00 N ATOM 1177 CA LYS A 84 6.977 -0.182 -3.196 1.00 0.00 C ATOM 1178 C LYS A 84 7.016 1.161 -2.475 1.00 0.00 C ATOM 1179 O LYS A 84 7.440 2.168 -3.041 1.00 0.00 O ATOM 1180 CB LYS A 84 5.654 -0.335 -3.945 1.00 0.00 C ATOM 1181 CG LYS A 84 5.572 -1.598 -4.786 1.00 0.00 C ATOM 1182 CD LYS A 84 6.198 -1.396 -6.158 1.00 0.00 C ATOM 1183 CE LYS A 84 7.676 -1.750 -6.154 1.00 0.00 C ATOM 1184 NZ LYS A 84 7.932 -3.073 -6.789 1.00 0.00 N ATOM 0 H LYS A 84 6.329 -1.865 -2.124 1.00 0.00 H new ATOM 0 HA LYS A 84 7.797 -0.212 -3.913 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.836 -0.335 -3.224 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.510 0.531 -4.591 1.00 0.00 H new ATOM 0 HG2 LYS A 84 6.079 -2.413 -4.270 1.00 0.00 H new ATOM 0 HG3 LYS A 84 4.529 -1.893 -4.901 1.00 0.00 H new ATOM 0 HD2 LYS A 84 5.677 -2.012 -6.891 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.072 -0.358 -6.467 1.00 0.00 H new ATOM 0 HE2 LYS A 84 8.235 -0.979 -6.684 1.00 0.00 H new ATOM 0 HE3 LYS A 84 8.044 -1.763 -5.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 8.951 -3.278 -6.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 7.419 -3.813 -6.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 7.605 -3.053 -7.776 1.00 0.00 H new ATOM 1198 N LEU A 85 6.570 1.169 -1.223 1.00 0.00 N ATOM 1199 CA LEU A 85 6.553 2.390 -0.425 1.00 0.00 C ATOM 1200 C LEU A 85 7.972 2.861 -0.120 1.00 0.00 C ATOM 1201 O LEU A 85 8.901 2.056 -0.045 1.00 0.00 O ATOM 1202 CB LEU A 85 5.788 2.162 0.880 1.00 0.00 C ATOM 1203 CG LEU A 85 4.404 1.532 0.717 1.00 0.00 C ATOM 1204 CD1 LEU A 85 3.933 0.932 2.032 1.00 0.00 C ATOM 1205 CD2 LEU A 85 3.407 2.563 0.212 1.00 0.00 C ATOM 0 H LEU A 85 6.216 0.344 -0.739 1.00 0.00 H new ATOM 0 HA LEU A 85 6.048 3.164 -1.003 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.388 1.523 1.528 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.677 3.119 1.390 1.00 0.00 H new ATOM 0 HG LEU A 85 4.474 0.731 -0.019 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.947 0.488 1.897 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.636 0.163 2.354 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.879 1.714 2.790 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.427 2.098 0.102 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.340 3.385 0.925 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.738 2.946 -0.753 1.00 0.00 H new ATOM 1217 N THR A 86 8.131 4.169 0.054 1.00 0.00 N ATOM 1218 CA THR A 86 9.436 4.746 0.351 1.00 0.00 C ATOM 1219 C THR A 86 9.316 5.854 1.393 1.00 0.00 C ATOM 1220 O THR A 86 8.253 6.451 1.559 1.00 0.00 O ATOM 1221 CB THR A 86 10.075 5.299 -0.925 1.00 0.00 C ATOM 1222 OG1 THR A 86 9.106 5.945 -1.732 1.00 0.00 O ATOM 1223 CG2 THR A 86 10.741 4.234 -1.770 1.00 0.00 C ATOM 0 H THR A 86 7.373 4.849 -0.006 1.00 0.00 H new ATOM 0 HA THR A 86 10.071 3.957 0.755 1.00 0.00 H new ATOM 0 HB THR A 86 10.837 6.001 -0.586 1.00 0.00 H new ATOM 0 HG1 THR A 86 8.370 5.326 -1.918 1.00 0.00 H new ATOM 0 HG21 THR A 86 11.174 4.693 -2.659 1.00 0.00 H new ATOM 0 HG22 THR A 86 11.528 3.750 -1.192 1.00 0.00 H new ATOM 0 HG23 THR A 86 10.001 3.491 -2.069 1.00 0.00 H new ATOM 1231 N ARG A 87 10.414 6.123 2.092 1.00 0.00 N ATOM 1232 CA ARG A 87 10.431 7.160 3.118 1.00 0.00 C ATOM 1233 C ARG A 87 11.032 8.453 2.574 1.00 0.00 C ATOM 1234 O ARG A 87 11.648 9.222 3.313 1.00 0.00 O ATOM 1235 CB ARG A 87 11.222 6.684 4.339 1.00 0.00 C ATOM 1236 CG ARG A 87 10.420 6.712 5.631 1.00 0.00 C ATOM 1237 CD ARG A 87 11.289 7.095 6.818 1.00 0.00 C ATOM 1238 NE ARG A 87 10.513 7.204 8.051 1.00 0.00 N ATOM 1239 CZ ARG A 87 9.745 8.248 8.355 1.00 0.00 C ATOM 1240 NH1 ARG A 87 9.647 9.274 7.519 1.00 0.00 N ATOM 1241 NH2 ARG A 87 9.072 8.266 9.497 1.00 0.00 N ATOM 0 H ARG A 87 11.303 5.638 1.967 1.00 0.00 H new ATOM 0 HA ARG A 87 9.402 7.360 3.418 1.00 0.00 H new ATOM 0 HB2 ARG A 87 11.573 5.668 4.161 1.00 0.00 H new ATOM 0 HB3 ARG A 87 12.106 7.311 4.456 1.00 0.00 H new ATOM 0 HG2 ARG A 87 9.599 7.423 5.535 1.00 0.00 H new ATOM 0 HG3 ARG A 87 9.975 5.732 5.806 1.00 0.00 H new ATOM 0 HD2 ARG A 87 12.074 6.350 6.948 1.00 0.00 H new ATOM 0 HD3 ARG A 87 11.782 8.046 6.615 1.00 0.00 H new ATOM 0 HE ARG A 87 10.563 6.434 8.719 1.00 0.00 H new ATOM 0 HH11 ARG A 87 10.162 9.265 6.638 1.00 0.00 H new ATOM 0 HH12 ARG A 87 9.057 10.071 7.757 1.00 0.00 H new ATOM 0 HH21 ARG A 87 9.143 7.480 10.143 1.00 0.00 H new ATOM 0 HH22 ARG A 87 8.484 9.066 9.730 1.00 0.00 H new ATOM 1255 N GLN A 88 10.849 8.685 1.278 1.00 0.00 N ATOM 1256 CA GLN A 88 11.372 9.885 0.635 1.00 0.00 C ATOM 1257 C GLN A 88 10.969 9.931 -0.838 1.00 0.00 C ATOM 1258 O GLN A 88 10.781 8.892 -1.471 1.00 0.00 O ATOM 1259 CB GLN A 88 12.897 9.934 0.763 1.00 0.00 C ATOM 1260 CG GLN A 88 13.389 10.980 1.751 1.00 0.00 C ATOM 1261 CD GLN A 88 14.518 11.826 1.192 1.00 0.00 C ATOM 1262 OE1 GLN A 88 15.650 11.361 1.061 1.00 0.00 O ATOM 1263 NE2 GLN A 88 14.214 13.075 0.860 1.00 0.00 N ATOM 0 H GLN A 88 10.343 8.058 0.653 1.00 0.00 H new ATOM 0 HA GLN A 88 10.945 10.753 1.137 1.00 0.00 H new ATOM 0 HB2 GLN A 88 13.259 8.954 1.073 1.00 0.00 H new ATOM 0 HB3 GLN A 88 13.330 10.139 -0.216 1.00 0.00 H new ATOM 0 HG2 GLN A 88 12.559 11.628 2.031 1.00 0.00 H new ATOM 0 HG3 GLN A 88 13.728 10.484 2.661 1.00 0.00 H new ATOM 0 HE21 GLN A 88 13.262 13.419 0.986 1.00 0.00 H new ATOM 0 HE22 GLN A 88 14.933 13.691 0.479 1.00 0.00 H new ATOM 1272 N PRO A 89 10.831 11.143 -1.404 1.00 0.00 N ATOM 1273 CA PRO A 89 10.449 11.318 -2.809 1.00 0.00 C ATOM 1274 C PRO A 89 11.541 10.855 -3.768 1.00 0.00 C ATOM 1275 O PRO A 89 12.278 11.668 -4.326 1.00 0.00 O ATOM 1276 CB PRO A 89 10.230 12.828 -2.934 1.00 0.00 C ATOM 1277 CG PRO A 89 11.060 13.424 -1.851 1.00 0.00 C ATOM 1278 CD PRO A 89 11.038 12.433 -0.720 1.00 0.00 C ATOM 0 HA PRO A 89 9.572 10.725 -3.070 1.00 0.00 H new ATOM 0 HB2 PRO A 89 10.538 13.192 -3.914 1.00 0.00 H new ATOM 0 HB3 PRO A 89 9.178 13.086 -2.814 1.00 0.00 H new ATOM 0 HG2 PRO A 89 12.079 13.603 -2.194 1.00 0.00 H new ATOM 0 HG3 PRO A 89 10.657 14.386 -1.535 1.00 0.00 H new ATOM 0 HD2 PRO A 89 11.971 12.445 -0.157 1.00 0.00 H new ATOM 0 HD3 PRO A 89 10.236 12.647 -0.013 1.00 0.00 H new