USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 755 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 57 CYS SG : rot 65:sc= 0.0738 USER MOD Set 1.2: A 89 HIS : no HD1:sc= -0.108 K(o=-0.034,f=-0.7) USER MOD Set 2.1: A 86 TYR OH : rot -113:sc= 0.465 USER MOD Set 2.2: A 90 GLN : amide:sc= 0.422 X(o=0.89,f=0.87) USER MOD Set 3.1: A 29 TYR OH : rot 145:sc= 1.19 USER MOD Set 3.2: A 97 THR OG1 : rot 98:sc= 2.34 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=0.52) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= 0.937 K(o=0.94,f=-5.9!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.0664 X(o=-0.066,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.318 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.392 X(o=-0.39,f=-0.017) USER MOD Single : A 63 GLN : amide:sc= -0.0037 X(o=-0.0037,f=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.061 X(o=-0.061,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0.0322 USER MOD Single : A 77 SER OG : rot 87:sc= 0.603 USER MOD Single : A 79 TYR OH : rot 120:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -1.63 X(o=-1.6,f=-1.7!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot -36:sc= -1.75! USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 138 N LEU A 13 -6.826 -5.306 3.694 1.00 65.31 N ATOM 139 CA LEU A 13 -5.803 -5.235 4.732 1.00 10.11 C ATOM 140 C LEU A 13 -5.254 -6.622 5.052 1.00 3.13 C ATOM 141 O LEU A 13 -4.057 -6.788 5.281 1.00 71.21 O ATOM 142 CB LEU A 13 -6.377 -4.596 5.998 1.00 55.12 C ATOM 143 CG LEU A 13 -5.354 -4.094 7.018 1.00 61.43 C ATOM 144 CD1 LEU A 13 -4.372 -3.136 6.363 1.00 41.14 C ATOM 145 CD2 LEU A 13 -6.055 -3.423 8.191 1.00 61.11 C ATOM 0 HA LEU A 13 -4.985 -4.618 4.360 1.00 10.11 H new ATOM 0 HB2 LEU A 13 -7.009 -3.758 5.704 1.00 55.12 H new ATOM 0 HB3 LEU A 13 -7.022 -5.325 6.489 1.00 55.12 H new ATOM 0 HG LEU A 13 -4.796 -4.951 7.396 1.00 61.43 H new ATOM 0 HD11 LEU A 13 -3.652 -2.790 7.105 1.00 41.14 H new ATOM 0 HD12 LEU A 13 -3.846 -3.649 5.558 1.00 41.14 H new ATOM 0 HD13 LEU A 13 -4.913 -2.282 5.956 1.00 41.14 H new ATOM 0 HD21 LEU A 13 -5.312 -3.072 8.907 1.00 61.11 H new ATOM 0 HD22 LEU A 13 -6.639 -2.576 7.830 1.00 61.11 H new ATOM 0 HD23 LEU A 13 -6.717 -4.139 8.677 1.00 61.11 H new ATOM 157 N ASP A 14 -6.138 -7.614 5.063 1.00 31.20 N ATOM 158 CA ASP A 14 -5.742 -8.987 5.350 1.00 63.23 C ATOM 159 C ASP A 14 -4.878 -9.550 4.227 1.00 30.54 C ATOM 160 O ASP A 14 -3.960 -10.334 4.468 1.00 72.22 O ATOM 161 CB ASP A 14 -6.978 -9.865 5.550 1.00 24.41 C ATOM 162 CG ASP A 14 -6.673 -11.341 5.385 1.00 34.43 C ATOM 163 OD1 ASP A 14 -6.769 -11.843 4.245 1.00 44.03 O ATOM 164 OD2 ASP A 14 -6.337 -11.995 6.395 1.00 4.31 O ATOM 0 H ASP A 14 -7.133 -7.492 4.876 1.00 31.20 H new ATOM 0 HA ASP A 14 -5.155 -8.985 6.268 1.00 63.23 H new ATOM 0 HB2 ASP A 14 -7.387 -9.691 6.545 1.00 24.41 H new ATOM 0 HB3 ASP A 14 -7.747 -9.574 4.834 1.00 24.41 H new ATOM 169 N LYS A 15 -5.180 -9.148 2.997 1.00 22.14 N ATOM 170 CA LYS A 15 -4.432 -9.611 1.834 1.00 74.44 C ATOM 171 C LYS A 15 -3.075 -8.920 1.749 1.00 52.23 C ATOM 172 O LYS A 15 -2.081 -9.531 1.357 1.00 14.51 O ATOM 173 CB LYS A 15 -5.229 -9.354 0.553 1.00 63.05 C ATOM 174 CG LYS A 15 -5.547 -10.617 -0.229 1.00 54.31 C ATOM 175 CD LYS A 15 -6.670 -11.407 0.420 1.00 34.51 C ATOM 176 CE LYS A 15 -7.019 -12.646 -0.390 1.00 31.43 C ATOM 177 NZ LYS A 15 -8.448 -13.033 -0.224 1.00 31.25 N ATOM 0 H LYS A 15 -5.939 -8.502 2.780 1.00 22.14 H new ATOM 0 HA LYS A 15 -4.268 -10.683 1.943 1.00 74.44 H new ATOM 0 HB2 LYS A 15 -6.161 -8.851 0.810 1.00 63.05 H new ATOM 0 HB3 LYS A 15 -4.665 -8.674 -0.085 1.00 63.05 H new ATOM 0 HG2 LYS A 15 -5.828 -10.353 -1.249 1.00 54.31 H new ATOM 0 HG3 LYS A 15 -4.655 -11.239 -0.295 1.00 54.31 H new ATOM 0 HD2 LYS A 15 -6.375 -11.701 1.427 1.00 34.51 H new ATOM 0 HD3 LYS A 15 -7.552 -10.774 0.518 1.00 34.51 H new ATOM 0 HE2 LYS A 15 -6.813 -12.461 -1.444 1.00 31.43 H new ATOM 0 HE3 LYS A 15 -6.380 -13.474 -0.081 1.00 31.43 H new ATOM 0 HZ1 LYS A 15 -8.646 -13.882 -0.792 1.00 31.25 H new ATOM 0 HZ2 LYS A 15 -8.639 -13.235 0.778 1.00 31.25 H new ATOM 0 HZ3 LYS A 15 -9.058 -12.253 -0.542 1.00 31.25 H new ATOM 191 N TRP A 16 -3.042 -7.645 2.119 1.00 53.22 N ATOM 192 CA TRP A 16 -1.806 -6.872 2.086 1.00 2.22 C ATOM 193 C TRP A 16 -0.726 -7.534 2.933 1.00 35.45 C ATOM 194 O TRP A 16 0.447 -7.542 2.562 1.00 34.22 O ATOM 195 CB TRP A 16 -2.058 -5.447 2.582 1.00 0.31 C ATOM 196 CG TRP A 16 -0.815 -4.612 2.647 1.00 44.21 C ATOM 197 CD1 TRP A 16 -0.119 -4.265 3.769 1.00 32.01 C ATOM 198 CD2 TRP A 16 -0.124 -4.016 1.543 1.00 64.43 C ATOM 199 NE1 TRP A 16 0.965 -3.491 3.429 1.00 65.14 N ATOM 200 CE2 TRP A 16 0.983 -3.324 2.070 1.00 35.32 C ATOM 201 CE3 TRP A 16 -0.332 -4.002 0.162 1.00 31.44 C ATOM 202 CZ2 TRP A 16 1.877 -2.626 1.262 1.00 52.25 C ATOM 203 CZ3 TRP A 16 0.556 -3.309 -0.639 1.00 42.45 C ATOM 204 CH2 TRP A 16 1.650 -2.630 -0.087 1.00 41.21 C ATOM 0 H TRP A 16 -3.856 -7.125 2.445 1.00 53.22 H new ATOM 0 HA TRP A 16 -1.459 -6.834 1.053 1.00 2.22 H new ATOM 0 HB2 TRP A 16 -2.778 -4.963 1.923 1.00 0.31 H new ATOM 0 HB3 TRP A 16 -2.511 -5.490 3.573 1.00 0.31 H new ATOM 0 HD1 TRP A 16 -0.381 -4.556 4.775 1.00 32.01 H new ATOM 0 HE1 TRP A 16 1.645 -3.104 4.083 1.00 65.14 H new ATOM 0 HE3 TRP A 16 -1.172 -4.524 -0.272 1.00 31.44 H new ATOM 0 HZ2 TRP A 16 2.720 -2.100 1.685 1.00 52.25 H new ATOM 0 HZ3 TRP A 16 0.404 -3.291 -1.708 1.00 42.45 H new ATOM 0 HH2 TRP A 16 2.328 -2.099 -0.739 1.00 41.21 H new ATOM 215 N GLU A 17 -1.129 -8.090 4.071 1.00 4.52 N ATOM 216 CA GLU A 17 -0.194 -8.754 4.970 1.00 34.34 C ATOM 217 C GLU A 17 0.017 -10.209 4.558 1.00 31.12 C ATOM 218 O GLU A 17 0.886 -10.899 5.092 1.00 2.24 O ATOM 219 CB GLU A 17 -0.703 -8.690 6.412 1.00 34.15 C ATOM 220 CG GLU A 17 -0.438 -7.356 7.091 1.00 1.02 C ATOM 221 CD GLU A 17 -0.483 -7.453 8.603 1.00 44.42 C ATOM 222 OE1 GLU A 17 -1.594 -7.604 9.154 1.00 63.32 O ATOM 223 OE2 GLU A 17 0.590 -7.377 9.236 1.00 34.33 O ATOM 0 H GLU A 17 -2.097 -8.094 4.392 1.00 4.52 H new ATOM 0 HA GLU A 17 0.762 -8.233 4.907 1.00 34.34 H new ATOM 0 HB2 GLU A 17 -1.775 -8.885 6.419 1.00 34.15 H new ATOM 0 HB3 GLU A 17 -0.230 -9.483 6.991 1.00 34.15 H new ATOM 0 HG2 GLU A 17 0.539 -6.984 6.783 1.00 1.02 H new ATOM 0 HG3 GLU A 17 -1.177 -6.628 6.755 1.00 1.02 H new ATOM 230 N LYS A 18 -0.786 -10.670 3.605 1.00 21.12 N ATOM 231 CA LYS A 18 -0.690 -12.041 3.119 1.00 72.51 C ATOM 232 C LYS A 18 0.308 -12.142 1.971 1.00 35.50 C ATOM 233 O LYS A 18 0.707 -13.239 1.578 1.00 31.51 O ATOM 234 CB LYS A 18 -2.063 -12.539 2.662 1.00 30.43 C ATOM 235 CG LYS A 18 -2.159 -14.051 2.564 1.00 21.42 C ATOM 236 CD LYS A 18 -3.413 -14.575 3.244 1.00 31.54 C ATOM 237 CE LYS A 18 -3.555 -16.080 3.067 1.00 41.41 C ATOM 238 NZ LYS A 18 -4.967 -16.475 2.801 1.00 34.23 N ATOM 0 H LYS A 18 -1.512 -10.113 3.153 1.00 21.12 H new ATOM 0 HA LYS A 18 -0.338 -12.667 3.939 1.00 72.51 H new ATOM 0 HB2 LYS A 18 -2.821 -12.179 3.358 1.00 30.43 H new ATOM 0 HB3 LYS A 18 -2.292 -12.105 1.689 1.00 30.43 H new ATOM 0 HG2 LYS A 18 -2.161 -14.349 1.516 1.00 21.42 H new ATOM 0 HG3 LYS A 18 -1.279 -14.503 3.022 1.00 21.42 H new ATOM 0 HD2 LYS A 18 -3.380 -14.334 4.306 1.00 31.54 H new ATOM 0 HD3 LYS A 18 -4.289 -14.075 2.831 1.00 31.54 H new ATOM 0 HE2 LYS A 18 -2.924 -16.410 2.242 1.00 41.41 H new ATOM 0 HE3 LYS A 18 -3.199 -16.587 3.964 1.00 41.41 H new ATOM 0 HZ1 LYS A 18 -5.023 -17.507 2.686 1.00 34.23 H new ATOM 0 HZ2 LYS A 18 -5.566 -16.182 3.600 1.00 34.23 H new ATOM 0 HZ3 LYS A 18 -5.299 -16.011 1.931 1.00 34.23 H new ATOM 252 N ILE A 19 0.709 -10.994 1.437 1.00 44.31 N ATOM 253 CA ILE A 19 1.663 -10.955 0.335 1.00 45.11 C ATOM 254 C ILE A 19 3.096 -11.057 0.846 1.00 13.15 C ATOM 255 O ILE A 19 3.461 -10.422 1.835 1.00 4.45 O ATOM 256 CB ILE A 19 1.515 -9.664 -0.492 1.00 71.23 C ATOM 257 CG1 ILE A 19 0.096 -9.551 -1.052 1.00 52.05 C ATOM 258 CG2 ILE A 19 2.538 -9.636 -1.617 1.00 12.12 C ATOM 259 CD1 ILE A 19 -0.492 -8.162 -0.934 1.00 52.03 C ATOM 0 H ILE A 19 0.388 -10.078 1.749 1.00 44.31 H new ATOM 0 HA ILE A 19 1.445 -11.812 -0.303 1.00 45.11 H new ATOM 0 HB ILE A 19 1.697 -8.810 0.160 1.00 71.23 H new ATOM 0 HG12 ILE A 19 0.104 -9.845 -2.101 1.00 52.05 H new ATOM 0 HG13 ILE A 19 -0.550 -10.256 -0.528 1.00 52.05 H new ATOM 0 HG21 ILE A 19 2.421 -8.718 -2.192 1.00 12.12 H new ATOM 0 HG22 ILE A 19 3.543 -9.675 -1.196 1.00 12.12 H new ATOM 0 HG23 ILE A 19 2.385 -10.495 -2.270 1.00 12.12 H new ATOM 0 HD11 ILE A 19 -1.499 -8.157 -1.351 1.00 52.03 H new ATOM 0 HD12 ILE A 19 -0.532 -7.872 0.116 1.00 52.03 H new ATOM 0 HD13 ILE A 19 0.131 -7.455 -1.482 1.00 52.03 H new ATOM 271 N ARG A 20 3.905 -11.860 0.162 1.00 75.02 N ATOM 272 CA ARG A 20 5.300 -12.046 0.545 1.00 45.13 C ATOM 273 C ARG A 20 6.161 -10.894 0.037 1.00 35.21 C ATOM 274 O ARG A 20 5.703 -10.060 -0.746 1.00 42.35 O ATOM 275 CB ARG A 20 5.828 -13.373 0.000 1.00 33.33 C ATOM 276 CG ARG A 20 5.318 -14.589 0.755 1.00 51.51 C ATOM 277 CD ARG A 20 5.862 -15.880 0.164 1.00 22.21 C ATOM 278 NE ARG A 20 4.991 -17.019 0.442 1.00 62.24 N ATOM 279 CZ ARG A 20 5.374 -18.285 0.317 1.00 54.42 C ATOM 280 NH1 ARG A 20 6.606 -18.573 -0.079 1.00 3.33 N ATOM 281 NH2 ARG A 20 4.523 -19.267 0.590 1.00 53.04 N ATOM 0 H ARG A 20 3.619 -12.392 -0.660 1.00 75.02 H new ATOM 0 HA ARG A 20 5.353 -12.063 1.634 1.00 45.13 H new ATOM 0 HB2 ARG A 20 5.546 -13.463 -1.049 1.00 33.33 H new ATOM 0 HB3 ARG A 20 6.917 -13.363 0.037 1.00 33.33 H new ATOM 0 HG2 ARG A 20 5.609 -14.516 1.803 1.00 51.51 H new ATOM 0 HG3 ARG A 20 4.228 -14.605 0.727 1.00 51.51 H new ATOM 0 HD2 ARG A 20 5.976 -15.765 -0.914 1.00 22.21 H new ATOM 0 HD3 ARG A 20 6.854 -16.075 0.571 1.00 22.21 H new ATOM 0 HE ARG A 20 4.036 -16.832 0.749 1.00 62.24 H new ATOM 0 HH11 ARG A 20 7.263 -17.822 -0.289 1.00 3.33 H new ATOM 0 HH12 ARG A 20 6.897 -19.546 -0.174 1.00 3.33 H new ATOM 0 HH21 ARG A 20 3.575 -19.050 0.896 1.00 53.04 H new ATOM 0 HH22 ARG A 20 4.818 -20.239 0.494 1.00 53.04 H new ATOM 295 N LEU A 21 7.412 -10.853 0.485 1.00 25.34 N ATOM 296 CA LEU A 21 8.338 -9.804 0.074 1.00 62.15 C ATOM 297 C LEU A 21 9.293 -10.311 -1.001 1.00 1.41 C ATOM 298 O LEU A 21 9.560 -9.619 -1.984 1.00 44.04 O ATOM 299 CB LEU A 21 9.131 -9.299 1.280 1.00 52.54 C ATOM 300 CG LEU A 21 8.306 -8.813 2.472 1.00 64.04 C ATOM 301 CD1 LEU A 21 9.205 -8.539 3.669 1.00 4.34 C ATOM 302 CD2 LEU A 21 7.514 -7.567 2.100 1.00 53.33 C ATOM 0 H LEU A 21 7.808 -11.534 1.133 1.00 25.34 H new ATOM 0 HA LEU A 21 7.757 -8.981 -0.343 1.00 62.15 H new ATOM 0 HB2 LEU A 21 9.786 -10.101 1.620 1.00 52.54 H new ATOM 0 HB3 LEU A 21 9.773 -8.482 0.951 1.00 52.54 H new ATOM 0 HG LEU A 21 7.602 -9.599 2.746 1.00 64.04 H new ATOM 0 HD11 LEU A 21 8.600 -8.194 4.507 1.00 4.34 H new ATOM 0 HD12 LEU A 21 9.726 -9.454 3.950 1.00 4.34 H new ATOM 0 HD13 LEU A 21 9.934 -7.772 3.408 1.00 4.34 H new ATOM 0 HD21 LEU A 21 6.933 -7.235 2.960 1.00 53.33 H new ATOM 0 HD22 LEU A 21 8.201 -6.776 1.799 1.00 53.33 H new ATOM 0 HD23 LEU A 21 6.841 -7.797 1.274 1.00 53.33 H new ATOM 314 N ARG A 22 9.803 -11.523 -0.809 1.00 0.12 N ATOM 315 CA ARG A 22 10.728 -12.122 -1.764 1.00 64.41 C ATOM 316 C ARG A 22 10.067 -13.280 -2.507 1.00 2.13 C ATOM 317 O ARG A 22 8.996 -13.758 -2.134 1.00 63.23 O ATOM 318 CB ARG A 22 11.987 -12.614 -1.047 1.00 64.44 C ATOM 319 CG ARG A 22 13.185 -11.696 -1.222 1.00 41.32 C ATOM 320 CD ARG A 22 13.924 -11.488 0.091 1.00 63.42 C ATOM 321 NE ARG A 22 14.580 -12.711 0.548 1.00 14.52 N ATOM 322 CZ ARG A 22 15.404 -12.757 1.590 1.00 35.04 C ATOM 323 NH1 ARG A 22 15.670 -11.655 2.278 1.00 21.54 N ATOM 324 NH2 ARG A 22 15.963 -13.906 1.945 1.00 32.33 N ATOM 0 H ARG A 22 9.592 -12.109 -0.001 1.00 0.12 H new ATOM 0 HA ARG A 22 11.007 -11.359 -2.490 1.00 64.41 H new ATOM 0 HB2 ARG A 22 11.772 -12.718 0.016 1.00 64.44 H new ATOM 0 HB3 ARG A 22 12.243 -13.606 -1.419 1.00 64.44 H new ATOM 0 HG2 ARG A 22 13.865 -12.120 -1.960 1.00 41.32 H new ATOM 0 HG3 ARG A 22 12.853 -10.733 -1.611 1.00 41.32 H new ATOM 0 HD2 ARG A 22 14.668 -10.701 -0.032 1.00 63.42 H new ATOM 0 HD3 ARG A 22 13.222 -11.146 0.852 1.00 63.42 H new ATOM 0 HE ARG A 22 14.396 -13.576 0.040 1.00 14.52 H new ATOM 0 HH11 ARG A 22 15.242 -10.769 2.008 1.00 21.54 H new ATOM 0 HH12 ARG A 22 16.303 -11.693 3.077 1.00 21.54 H new ATOM 0 HH21 ARG A 22 15.761 -14.756 1.418 1.00 32.33 H new ATOM 0 HH22 ARG A 22 16.595 -13.940 2.745 1.00 32.33 H new ATOM 338 N PRO A 23 10.720 -13.742 -3.584 1.00 13.31 N ATOM 339 CA PRO A 23 10.215 -14.848 -4.401 1.00 2.13 C ATOM 340 C PRO A 23 10.276 -16.184 -3.670 1.00 75.42 C ATOM 341 O PRO A 23 9.293 -16.922 -3.621 1.00 21.14 O ATOM 342 CB PRO A 23 11.156 -14.855 -5.609 1.00 45.11 C ATOM 343 CG PRO A 23 12.416 -14.238 -5.110 1.00 32.20 C ATOM 344 CD PRO A 23 12.002 -13.218 -4.086 1.00 73.50 C ATOM 0 HA PRO A 23 9.165 -14.716 -4.662 1.00 2.13 H new ATOM 0 HB2 PRO A 23 11.328 -15.869 -5.971 1.00 45.11 H new ATOM 0 HB3 PRO A 23 10.738 -14.286 -6.440 1.00 45.11 H new ATOM 0 HG2 PRO A 23 13.070 -14.990 -4.669 1.00 32.20 H new ATOM 0 HG3 PRO A 23 12.970 -13.771 -5.924 1.00 32.20 H new ATOM 0 HD2 PRO A 23 12.739 -13.127 -3.288 1.00 73.50 H new ATOM 0 HD3 PRO A 23 11.887 -12.228 -4.528 1.00 73.50 H new ATOM 352 N GLY A 24 11.439 -16.490 -3.102 1.00 63.44 N ATOM 353 CA GLY A 24 11.606 -17.737 -2.379 1.00 23.24 C ATOM 354 C GLY A 24 11.777 -17.526 -0.888 1.00 71.21 C ATOM 355 O GLY A 24 12.450 -18.308 -0.217 1.00 55.42 O ATOM 0 H GLY A 24 12.268 -15.896 -3.130 1.00 63.44 H new ATOM 0 HA2 GLY A 24 10.739 -18.374 -2.555 1.00 23.24 H new ATOM 0 HA3 GLY A 24 12.475 -18.266 -2.770 1.00 23.24 H new ATOM 359 N GLY A 25 11.168 -16.465 -0.369 1.00 62.45 N ATOM 360 CA GLY A 25 11.270 -16.171 1.049 1.00 11.21 C ATOM 361 C GLY A 25 9.988 -16.475 1.798 1.00 14.43 C ATOM 362 O GLY A 25 9.087 -17.122 1.265 1.00 71.13 O ATOM 0 H GLY A 25 10.606 -15.804 -0.905 1.00 62.45 H new ATOM 0 HA2 GLY A 25 12.085 -16.752 1.480 1.00 11.21 H new ATOM 0 HA3 GLY A 25 11.524 -15.119 1.181 1.00 11.21 H new ATOM 366 N LYS A 26 9.904 -16.007 3.039 1.00 14.33 N ATOM 367 CA LYS A 26 8.724 -16.231 3.864 1.00 11.32 C ATOM 368 C LYS A 26 8.245 -14.927 4.494 1.00 60.13 C ATOM 369 O LYS A 26 7.261 -14.907 5.234 1.00 52.33 O ATOM 370 CB LYS A 26 9.028 -17.257 4.957 1.00 50.03 C ATOM 371 CG LYS A 26 9.260 -18.660 4.427 1.00 35.54 C ATOM 372 CD LYS A 26 10.615 -19.200 4.852 1.00 34.24 C ATOM 373 CE LYS A 26 10.792 -20.653 4.438 1.00 63.11 C ATOM 374 NZ LYS A 26 12.106 -20.887 3.778 1.00 62.32 N ATOM 0 H LYS A 26 10.641 -15.469 3.495 1.00 14.33 H new ATOM 0 HA LYS A 26 7.931 -16.617 3.223 1.00 11.32 H new ATOM 0 HB2 LYS A 26 9.911 -16.936 5.509 1.00 50.03 H new ATOM 0 HB3 LYS A 26 8.199 -17.278 5.665 1.00 50.03 H new ATOM 0 HG2 LYS A 26 8.474 -19.322 4.790 1.00 35.54 H new ATOM 0 HG3 LYS A 26 9.195 -18.654 3.339 1.00 35.54 H new ATOM 0 HD2 LYS A 26 11.405 -18.595 4.406 1.00 34.24 H new ATOM 0 HD3 LYS A 26 10.719 -19.114 5.934 1.00 34.24 H new ATOM 0 HE2 LYS A 26 10.708 -21.293 5.316 1.00 63.11 H new ATOM 0 HE3 LYS A 26 9.989 -20.937 3.758 1.00 63.11 H new ATOM 0 HZ1 LYS A 26 12.187 -21.889 3.511 1.00 62.32 H new ATOM 0 HZ2 LYS A 26 12.177 -20.295 2.926 1.00 62.32 H new ATOM 0 HZ3 LYS A 26 12.873 -20.640 4.435 1.00 62.32 H new ATOM 388 N LYS A 27 8.947 -13.839 4.197 1.00 2.45 N ATOM 389 CA LYS A 27 8.592 -12.528 4.732 1.00 32.53 C ATOM 390 C LYS A 27 7.349 -11.977 4.041 1.00 33.21 C ATOM 391 O LYS A 27 7.156 -12.174 2.842 1.00 13.13 O ATOM 392 CB LYS A 27 9.759 -11.553 4.561 1.00 21.31 C ATOM 393 CG LYS A 27 11.108 -12.148 4.922 1.00 74.41 C ATOM 394 CD LYS A 27 12.032 -11.108 5.532 1.00 73.02 C ATOM 395 CE LYS A 27 13.463 -11.616 5.621 1.00 50.14 C ATOM 396 NZ LYS A 27 13.620 -12.650 6.682 1.00 2.34 N ATOM 0 H LYS A 27 9.766 -13.838 3.589 1.00 2.45 H new ATOM 0 HA LYS A 27 8.374 -12.642 5.794 1.00 32.53 H new ATOM 0 HB2 LYS A 27 9.787 -11.212 3.526 1.00 21.31 H new ATOM 0 HB3 LYS A 27 9.581 -10.675 5.182 1.00 21.31 H new ATOM 0 HG2 LYS A 27 10.968 -12.969 5.626 1.00 74.41 H new ATOM 0 HG3 LYS A 27 11.571 -12.569 4.030 1.00 74.41 H new ATOM 0 HD2 LYS A 27 12.004 -10.199 4.932 1.00 73.02 H new ATOM 0 HD3 LYS A 27 11.676 -10.843 6.528 1.00 73.02 H new ATOM 0 HE2 LYS A 27 13.760 -12.034 4.659 1.00 50.14 H new ATOM 0 HE3 LYS A 27 14.133 -10.781 5.826 1.00 50.14 H new ATOM 0 HZ1 LYS A 27 14.609 -12.971 6.711 1.00 2.34 H new ATOM 0 HZ2 LYS A 27 13.361 -12.244 7.604 1.00 2.34 H new ATOM 0 HZ3 LYS A 27 13.000 -13.458 6.473 1.00 2.34 H new ATOM 410 N GLN A 28 6.510 -11.286 4.807 1.00 33.54 N ATOM 411 CA GLN A 28 5.286 -10.706 4.266 1.00 52.24 C ATOM 412 C GLN A 28 5.343 -9.182 4.304 1.00 72.42 C ATOM 413 O GLN A 28 6.365 -8.598 4.667 1.00 23.14 O ATOM 414 CB GLN A 28 4.071 -11.202 5.054 1.00 33.13 C ATOM 415 CG GLN A 28 4.065 -12.705 5.280 1.00 53.03 C ATOM 416 CD GLN A 28 4.368 -13.080 6.717 1.00 45.22 C ATOM 417 OE1 GLN A 28 5.478 -13.504 7.040 1.00 54.14 O ATOM 418 NE2 GLN A 28 3.379 -12.926 7.590 1.00 23.54 N ATOM 0 H GLN A 28 6.655 -11.115 5.802 1.00 33.54 H new ATOM 0 HA GLN A 28 5.191 -11.022 3.227 1.00 52.24 H new ATOM 0 HB2 GLN A 28 4.044 -10.698 6.020 1.00 33.13 H new ATOM 0 HB3 GLN A 28 3.163 -10.919 4.521 1.00 33.13 H new ATOM 0 HG2 GLN A 28 3.091 -13.107 5.001 1.00 53.03 H new ATOM 0 HG3 GLN A 28 4.801 -13.170 4.624 1.00 53.03 H new ATOM 0 HE21 GLN A 28 2.475 -12.571 7.279 1.00 23.54 H new ATOM 0 HE22 GLN A 28 3.524 -13.162 8.572 1.00 23.54 H new ATOM 427 N TYR A 29 4.241 -8.545 3.925 1.00 55.03 N ATOM 428 CA TYR A 29 4.167 -7.088 3.912 1.00 71.52 C ATOM 429 C TYR A 29 3.439 -6.569 5.148 1.00 23.22 C ATOM 430 O TYR A 29 2.544 -7.227 5.679 1.00 73.34 O ATOM 431 CB TYR A 29 3.458 -6.604 2.647 1.00 64.34 C ATOM 432 CG TYR A 29 4.380 -6.441 1.460 1.00 52.24 C ATOM 433 CD1 TYR A 29 5.306 -5.405 1.412 1.00 3.10 C ATOM 434 CD2 TYR A 29 4.326 -7.321 0.387 1.00 24.22 C ATOM 435 CE1 TYR A 29 6.150 -5.251 0.330 1.00 21.32 C ATOM 436 CE2 TYR A 29 5.167 -7.176 -0.700 1.00 53.03 C ATOM 437 CZ TYR A 29 6.077 -6.139 -0.723 1.00 22.14 C ATOM 438 OH TYR A 29 6.916 -5.990 -1.804 1.00 40.12 O ATOM 0 H TYR A 29 3.387 -9.014 3.623 1.00 55.03 H new ATOM 0 HA TYR A 29 5.185 -6.697 3.921 1.00 71.52 H new ATOM 0 HB2 TYR A 29 2.670 -7.311 2.389 1.00 64.34 H new ATOM 0 HB3 TYR A 29 2.974 -5.649 2.854 1.00 64.34 H new ATOM 0 HD1 TYR A 29 5.366 -4.709 2.235 1.00 3.10 H new ATOM 0 HD2 TYR A 29 3.614 -8.133 0.402 1.00 24.22 H new ATOM 0 HE1 TYR A 29 6.863 -4.440 0.308 1.00 21.32 H new ATOM 0 HE2 TYR A 29 5.112 -7.870 -1.526 1.00 53.03 H new ATOM 0 HH TYR A 29 7.167 -6.873 -2.147 1.00 40.12 H new ATOM 448 N LYS A 30 3.828 -5.382 5.601 1.00 22.32 N ATOM 449 CA LYS A 30 3.212 -4.771 6.773 1.00 15.35 C ATOM 450 C LYS A 30 3.076 -3.262 6.590 1.00 43.34 C ATOM 451 O LYS A 30 3.693 -2.676 5.700 1.00 1.33 O ATOM 452 CB LYS A 30 4.041 -5.070 8.024 1.00 61.03 C ATOM 453 CG LYS A 30 3.220 -5.613 9.181 1.00 33.23 C ATOM 454 CD LYS A 30 3.808 -6.905 9.723 1.00 73.10 C ATOM 455 CE LYS A 30 5.125 -6.659 10.443 1.00 42.45 C ATOM 456 NZ LYS A 30 5.644 -7.897 11.089 1.00 1.35 N ATOM 0 H LYS A 30 4.567 -4.824 5.174 1.00 22.32 H new ATOM 0 HA LYS A 30 2.216 -5.197 6.894 1.00 15.35 H new ATOM 0 HB2 LYS A 30 4.818 -5.791 7.771 1.00 61.03 H new ATOM 0 HB3 LYS A 30 4.544 -4.157 8.343 1.00 61.03 H new ATOM 0 HG2 LYS A 30 3.176 -4.870 9.977 1.00 33.23 H new ATOM 0 HG3 LYS A 30 2.196 -5.788 8.851 1.00 33.23 H new ATOM 0 HD2 LYS A 30 3.099 -7.369 10.408 1.00 73.10 H new ATOM 0 HD3 LYS A 30 3.966 -7.606 8.904 1.00 73.10 H new ATOM 0 HE2 LYS A 30 5.862 -6.283 9.733 1.00 42.45 H new ATOM 0 HE3 LYS A 30 4.987 -5.886 11.199 1.00 42.45 H new ATOM 0 HZ1 LYS A 30 6.543 -7.688 11.569 1.00 1.35 H new ATOM 0 HZ2 LYS A 30 4.952 -8.242 11.785 1.00 1.35 H new ATOM 0 HZ3 LYS A 30 5.800 -8.627 10.365 1.00 1.35 H new ATOM 470 N LEU A 31 2.264 -2.640 7.439 1.00 11.05 N ATOM 471 CA LEU A 31 2.048 -1.198 7.372 1.00 24.43 C ATOM 472 C LEU A 31 3.363 -0.460 7.147 1.00 0.41 C ATOM 473 O LEU A 31 3.453 0.426 6.297 1.00 44.43 O ATOM 474 CB LEU A 31 1.384 -0.703 8.658 1.00 0.34 C ATOM 475 CG LEU A 31 -0.072 -0.251 8.531 1.00 12.34 C ATOM 476 CD1 LEU A 31 -0.962 -1.421 8.144 1.00 61.41 C ATOM 477 CD2 LEU A 31 -0.549 0.378 9.831 1.00 2.42 C ATOM 0 H LEU A 31 1.745 -3.111 8.181 1.00 11.05 H new ATOM 0 HA LEU A 31 1.390 -0.992 6.528 1.00 24.43 H new ATOM 0 HB2 LEU A 31 1.432 -1.501 9.399 1.00 0.34 H new ATOM 0 HB3 LEU A 31 1.969 0.130 9.048 1.00 0.34 H new ATOM 0 HG LEU A 31 -0.133 0.500 7.743 1.00 12.34 H new ATOM 0 HD11 LEU A 31 -1.994 -1.080 8.058 1.00 61.41 H new ATOM 0 HD12 LEU A 31 -0.633 -1.827 7.187 1.00 61.41 H new ATOM 0 HD13 LEU A 31 -0.898 -2.195 8.908 1.00 61.41 H new ATOM 0 HD21 LEU A 31 -1.587 0.694 9.723 1.00 2.42 H new ATOM 0 HD22 LEU A 31 -0.474 -0.352 10.637 1.00 2.42 H new ATOM 0 HD23 LEU A 31 0.071 1.243 10.066 1.00 2.42 H new ATOM 489 N LYS A 32 4.383 -0.832 7.912 1.00 63.04 N ATOM 490 CA LYS A 32 5.695 -0.208 7.796 1.00 55.22 C ATOM 491 C LYS A 32 6.020 0.107 6.339 1.00 55.13 C ATOM 492 O LYS A 32 6.462 1.210 6.015 1.00 43.03 O ATOM 493 CB LYS A 32 6.772 -1.122 8.384 1.00 24.22 C ATOM 494 CG LYS A 32 7.167 -0.762 9.805 1.00 52.34 C ATOM 495 CD LYS A 32 8.380 -1.553 10.265 1.00 31.42 C ATOM 496 CE LYS A 32 8.002 -2.600 11.302 1.00 74.40 C ATOM 497 NZ LYS A 32 8.887 -3.796 11.230 1.00 41.23 N ATOM 0 H LYS A 32 4.326 -1.564 8.620 1.00 63.04 H new ATOM 0 HA LYS A 32 5.676 0.727 8.356 1.00 55.22 H new ATOM 0 HB2 LYS A 32 6.413 -2.151 8.366 1.00 24.22 H new ATOM 0 HB3 LYS A 32 7.657 -1.082 7.749 1.00 24.22 H new ATOM 0 HG2 LYS A 32 7.384 0.305 9.864 1.00 52.34 H new ATOM 0 HG3 LYS A 32 6.330 -0.955 10.476 1.00 52.34 H new ATOM 0 HD2 LYS A 32 8.845 -2.040 9.408 1.00 31.42 H new ATOM 0 HD3 LYS A 32 9.121 -0.873 10.686 1.00 31.42 H new ATOM 0 HE2 LYS A 32 8.063 -2.163 12.299 1.00 74.40 H new ATOM 0 HE3 LYS A 32 6.967 -2.905 11.150 1.00 74.40 H new ATOM 0 HZ1 LYS A 32 8.597 -4.486 11.952 1.00 41.23 H new ATOM 0 HZ2 LYS A 32 8.810 -4.228 10.287 1.00 41.23 H new ATOM 0 HZ3 LYS A 32 9.872 -3.510 11.400 1.00 41.23 H new ATOM 511 N HIS A 33 5.799 -0.869 5.464 1.00 55.22 N ATOM 512 CA HIS A 33 6.067 -0.695 4.041 1.00 30.44 C ATOM 513 C HIS A 33 5.125 0.341 3.434 1.00 23.00 C ATOM 514 O HIS A 33 5.614 1.165 2.660 1.00 64.32 O ATOM 515 CB HIS A 33 5.919 -2.027 3.305 1.00 73.51 C ATOM 516 CG HIS A 33 6.755 -3.127 3.884 1.00 54.24 C ATOM 517 ND1 HIS A 33 6.218 -4.225 4.524 1.00 14.10 N ATOM 518 CD2 HIS A 33 8.098 -3.294 3.918 1.00 60.33 C ATOM 519 CE1 HIS A 33 7.195 -5.019 4.926 1.00 4.32 C ATOM 520 NE2 HIS A 33 8.346 -4.477 4.569 1.00 44.43 N ATOM 0 H HIS A 33 5.435 -1.788 5.715 1.00 55.22 H new ATOM 0 HA HIS A 33 7.091 -0.339 3.931 1.00 30.44 H new ATOM 0 HB2 HIS A 33 4.872 -2.329 3.324 1.00 73.51 H new ATOM 0 HB3 HIS A 33 6.191 -1.887 2.259 1.00 73.51 H new ATOM 0 HD2 HIS A 33 8.837 -2.621 3.509 1.00 60.33 H new ATOM 0 HE1 HIS A 33 7.073 -5.952 5.456 1.00 4.32 H new ATOM 0 HE2 HIS A 33 9.269 -4.873 4.748 1.00 44.43 H new ATOM 528 N ILE A 34 3.835 0.322 3.752 1.00 43.44 N ATOM 529 CA ILE A 34 2.898 1.292 3.198 1.00 73.23 C ATOM 530 C ILE A 34 3.320 2.718 3.534 1.00 53.14 C ATOM 531 O ILE A 34 3.574 3.529 2.644 1.00 21.33 O ATOM 532 CB ILE A 34 1.469 1.055 3.721 1.00 23.15 C ATOM 533 CG1 ILE A 34 0.964 -0.322 3.284 1.00 32.21 C ATOM 534 CG2 ILE A 34 0.536 2.149 3.224 1.00 3.04 C ATOM 535 CD1 ILE A 34 -0.292 -0.761 4.003 1.00 61.43 C ATOM 0 H ILE A 34 3.415 -0.354 4.390 1.00 43.44 H new ATOM 0 HA ILE A 34 2.908 1.158 2.116 1.00 73.23 H new ATOM 0 HB ILE A 34 1.487 1.086 4.810 1.00 23.15 H new ATOM 0 HG12 ILE A 34 0.772 -0.306 2.211 1.00 32.21 H new ATOM 0 HG13 ILE A 34 1.748 -1.059 3.456 1.00 32.21 H new ATOM 0 HG21 ILE A 34 -0.470 1.968 3.602 1.00 3.04 H new ATOM 0 HG22 ILE A 34 0.889 3.117 3.580 1.00 3.04 H new ATOM 0 HG23 ILE A 34 0.520 2.147 2.134 1.00 3.04 H new ATOM 0 HD11 ILE A 34 -0.592 -1.745 3.643 1.00 61.43 H new ATOM 0 HD12 ILE A 34 -0.100 -0.810 5.075 1.00 61.43 H new ATOM 0 HD13 ILE A 34 -1.091 -0.045 3.810 1.00 61.43 H new ATOM 547 N VAL A 35 3.396 3.018 4.827 1.00 44.43 N ATOM 548 CA VAL A 35 3.790 4.346 5.282 1.00 62.02 C ATOM 549 C VAL A 35 5.123 4.764 4.670 1.00 63.42 C ATOM 550 O VAL A 35 5.249 5.859 4.124 1.00 12.44 O ATOM 551 CB VAL A 35 3.903 4.402 6.817 1.00 50.33 C ATOM 552 CG1 VAL A 35 4.422 5.760 7.266 1.00 31.52 C ATOM 553 CG2 VAL A 35 2.559 4.097 7.462 1.00 34.10 C ATOM 0 H VAL A 35 3.190 2.359 5.578 1.00 44.43 H new ATOM 0 HA VAL A 35 3.012 5.036 4.956 1.00 62.02 H new ATOM 0 HB VAL A 35 4.616 3.643 7.139 1.00 50.33 H new ATOM 0 HG11 VAL A 35 4.495 5.780 8.353 1.00 31.52 H new ATOM 0 HG12 VAL A 35 5.407 5.934 6.833 1.00 31.52 H new ATOM 0 HG13 VAL A 35 3.736 6.540 6.934 1.00 31.52 H new ATOM 0 HG21 VAL A 35 2.658 4.141 8.547 1.00 34.10 H new ATOM 0 HG22 VAL A 35 1.823 4.831 7.134 1.00 34.10 H new ATOM 0 HG23 VAL A 35 2.232 3.100 7.168 1.00 34.10 H new ATOM 563 N TRP A 36 6.112 3.882 4.765 1.00 2.14 N ATOM 564 CA TRP A 36 7.436 4.160 4.219 1.00 24.55 C ATOM 565 C TRP A 36 7.357 4.462 2.726 1.00 22.23 C ATOM 566 O TRP A 36 8.267 5.064 2.157 1.00 3.23 O ATOM 567 CB TRP A 36 8.369 2.973 4.463 1.00 21.24 C ATOM 568 CG TRP A 36 9.700 3.116 3.789 1.00 71.13 C ATOM 569 CD1 TRP A 36 10.855 3.583 4.348 1.00 54.30 C ATOM 570 CD2 TRP A 36 10.013 2.791 2.430 1.00 72.33 C ATOM 571 NE1 TRP A 36 11.867 3.569 3.419 1.00 52.31 N ATOM 572 CE2 TRP A 36 11.376 3.086 2.234 1.00 54.24 C ATOM 573 CE3 TRP A 36 9.275 2.277 1.361 1.00 30.43 C ATOM 574 CZ2 TRP A 36 12.014 2.885 1.013 1.00 1.14 C ATOM 575 CZ3 TRP A 36 9.909 2.078 0.148 1.00 44.53 C ATOM 576 CH2 TRP A 36 11.267 2.381 -0.018 1.00 42.14 C ATOM 0 H TRP A 36 6.023 2.970 5.214 1.00 2.14 H new ATOM 0 HA TRP A 36 7.835 5.038 4.727 1.00 24.55 H new ATOM 0 HB2 TRP A 36 8.524 2.856 5.536 1.00 21.24 H new ATOM 0 HB3 TRP A 36 7.886 2.062 4.109 1.00 21.24 H new ATOM 0 HD1 TRP A 36 10.958 3.915 5.371 1.00 54.30 H new ATOM 0 HE1 TRP A 36 12.828 3.869 3.584 1.00 52.31 H new ATOM 0 HE3 TRP A 36 8.228 2.039 1.480 1.00 30.43 H new ATOM 0 HZ2 TRP A 36 13.061 3.118 0.884 1.00 1.14 H new ATOM 0 HZ3 TRP A 36 9.348 1.682 -0.686 1.00 44.53 H new ATOM 0 HH2 TRP A 36 11.733 2.214 -0.978 1.00 42.14 H new ATOM 587 N ALA A 37 6.264 4.040 2.098 1.00 15.53 N ATOM 588 CA ALA A 37 6.066 4.268 0.672 1.00 13.20 C ATOM 589 C ALA A 37 5.314 5.572 0.424 1.00 22.11 C ATOM 590 O ALA A 37 5.766 6.425 -0.340 1.00 52.04 O ATOM 591 CB ALA A 37 5.319 3.099 0.049 1.00 74.52 C ATOM 0 H ALA A 37 5.502 3.538 2.555 1.00 15.53 H new ATOM 0 HA ALA A 37 7.046 4.349 0.203 1.00 13.20 H new ATOM 0 HB1 ALA A 37 5.178 3.283 -1.016 1.00 74.52 H new ATOM 0 HB2 ALA A 37 5.896 2.184 0.186 1.00 74.52 H new ATOM 0 HB3 ALA A 37 4.347 2.991 0.530 1.00 74.52 H new ATOM 597 N SER A 38 4.164 5.718 1.072 1.00 61.13 N ATOM 598 CA SER A 38 3.346 6.916 0.918 1.00 65.14 C ATOM 599 C SER A 38 4.149 8.168 1.254 1.00 42.41 C ATOM 600 O SER A 38 3.889 9.248 0.721 1.00 23.53 O ATOM 601 CB SER A 38 2.109 6.834 1.815 1.00 70.22 C ATOM 602 OG SER A 38 2.251 7.661 2.957 1.00 51.32 O ATOM 0 H SER A 38 3.777 5.022 1.709 1.00 61.13 H new ATOM 0 HA SER A 38 3.028 6.977 -0.123 1.00 65.14 H new ATOM 0 HB2 SER A 38 1.226 7.136 1.251 1.00 70.22 H new ATOM 0 HB3 SER A 38 1.950 5.802 2.127 1.00 70.22 H new ATOM 0 HG SER A 38 1.447 7.592 3.513 1.00 51.32 H new ATOM 608 N ARG A 39 5.127 8.017 2.141 1.00 13.10 N ATOM 609 CA ARG A 39 5.969 9.136 2.550 1.00 65.24 C ATOM 610 C ARG A 39 7.107 9.351 1.557 1.00 71.33 C ATOM 611 O ARG A 39 7.701 10.426 1.504 1.00 14.00 O ATOM 612 CB ARG A 39 6.537 8.890 3.949 1.00 3.12 C ATOM 613 CG ARG A 39 5.519 9.080 5.062 1.00 5.34 C ATOM 614 CD ARG A 39 6.164 8.962 6.434 1.00 35.34 C ATOM 615 NE ARG A 39 5.460 9.751 7.440 1.00 64.31 N ATOM 616 CZ ARG A 39 5.920 9.953 8.670 1.00 41.20 C ATOM 617 NH1 ARG A 39 7.078 9.426 9.043 1.00 13.40 N ATOM 618 NH2 ARG A 39 5.220 10.683 9.530 1.00 32.35 N ATOM 0 H ARG A 39 5.356 7.131 2.591 1.00 13.10 H new ATOM 0 HA ARG A 39 5.352 10.035 2.569 1.00 65.24 H new ATOM 0 HB2 ARG A 39 6.932 7.875 3.998 1.00 3.12 H new ATOM 0 HB3 ARG A 39 7.375 9.566 4.116 1.00 3.12 H new ATOM 0 HG2 ARG A 39 5.049 10.058 4.963 1.00 5.34 H new ATOM 0 HG3 ARG A 39 4.729 8.335 4.965 1.00 5.34 H new ATOM 0 HD2 ARG A 39 6.178 7.916 6.739 1.00 35.34 H new ATOM 0 HD3 ARG A 39 7.201 9.291 6.376 1.00 35.34 H new ATOM 0 HE ARG A 39 4.566 10.170 7.185 1.00 64.31 H new ATOM 0 HH11 ARG A 39 7.618 8.864 8.385 1.00 13.40 H new ATOM 0 HH12 ARG A 39 7.429 9.583 9.988 1.00 13.40 H new ATOM 0 HH21 ARG A 39 4.328 11.089 9.247 1.00 32.35 H new ATOM 0 HH22 ARG A 39 5.574 10.838 10.474 1.00 32.35 H new ATOM 632 N GLU A 40 7.405 8.319 0.774 1.00 72.40 N ATOM 633 CA GLU A 40 8.473 8.394 -0.215 1.00 11.45 C ATOM 634 C GLU A 40 7.973 9.035 -1.507 1.00 14.51 C ATOM 635 O GLU A 40 8.669 9.846 -2.122 1.00 51.13 O ATOM 636 CB GLU A 40 9.029 6.999 -0.508 1.00 51.02 C ATOM 637 CG GLU A 40 10.544 6.957 -0.609 1.00 52.13 C ATOM 638 CD GLU A 40 11.227 7.532 0.618 1.00 72.30 C ATOM 639 OE1 GLU A 40 10.800 7.201 1.744 1.00 33.42 O ATOM 640 OE2 GLU A 40 12.188 8.311 0.451 1.00 51.14 O ATOM 0 H GLU A 40 6.922 7.421 0.806 1.00 72.40 H new ATOM 0 HA GLU A 40 9.269 9.015 0.196 1.00 11.45 H new ATOM 0 HB2 GLU A 40 8.707 6.316 0.278 1.00 51.02 H new ATOM 0 HB3 GLU A 40 8.601 6.635 -1.442 1.00 51.02 H new ATOM 0 HG2 GLU A 40 10.867 5.925 -0.750 1.00 52.13 H new ATOM 0 HG3 GLU A 40 10.861 7.513 -1.491 1.00 52.13 H new ATOM 647 N LEU A 41 6.764 8.666 -1.915 1.00 73.15 N ATOM 648 CA LEU A 41 6.170 9.204 -3.134 1.00 64.22 C ATOM 649 C LEU A 41 6.210 10.728 -3.133 1.00 5.30 C ATOM 650 O LEU A 41 6.601 11.349 -4.121 1.00 61.23 O ATOM 651 CB LEU A 41 4.726 8.719 -3.277 1.00 12.24 C ATOM 652 CG LEU A 41 4.526 7.204 -3.310 1.00 52.21 C ATOM 653 CD1 LEU A 41 3.063 6.854 -3.092 1.00 30.20 C ATOM 654 CD2 LEU A 41 5.024 6.628 -4.628 1.00 1.33 C ATOM 0 H LEU A 41 6.176 7.996 -1.420 1.00 73.15 H new ATOM 0 HA LEU A 41 6.753 8.846 -3.982 1.00 64.22 H new ATOM 0 HB2 LEU A 41 4.144 9.124 -2.449 1.00 12.24 H new ATOM 0 HB3 LEU A 41 4.312 9.140 -4.193 1.00 12.24 H new ATOM 0 HG LEU A 41 5.108 6.763 -2.501 1.00 52.21 H new ATOM 0 HD11 LEU A 41 2.940 5.771 -3.119 1.00 30.20 H new ATOM 0 HD12 LEU A 41 2.739 7.232 -2.122 1.00 30.20 H new ATOM 0 HD13 LEU A 41 2.459 7.307 -3.878 1.00 30.20 H new ATOM 0 HD21 LEU A 41 4.873 5.548 -4.633 1.00 1.33 H new ATOM 0 HD22 LEU A 41 4.470 7.076 -5.453 1.00 1.33 H new ATOM 0 HD23 LEU A 41 6.086 6.847 -4.743 1.00 1.33 H new ATOM 666 N GLU A 42 5.803 11.325 -2.016 1.00 61.31 N ATOM 667 CA GLU A 42 5.793 12.777 -1.887 1.00 54.51 C ATOM 668 C GLU A 42 7.149 13.366 -2.271 1.00 5.22 C ATOM 669 O GLU A 42 7.228 14.483 -2.784 1.00 73.22 O ATOM 670 CB GLU A 42 5.438 13.181 -0.454 1.00 2.14 C ATOM 671 CG GLU A 42 4.484 14.362 -0.375 1.00 63.33 C ATOM 672 CD GLU A 42 4.813 15.302 0.769 1.00 31.24 C ATOM 673 OE1 GLU A 42 5.431 14.846 1.753 1.00 63.24 O ATOM 674 OE2 GLU A 42 4.453 16.494 0.677 1.00 52.23 O ATOM 0 H GLU A 42 5.476 10.825 -1.189 1.00 61.31 H new ATOM 0 HA GLU A 42 5.038 13.172 -2.567 1.00 54.51 H new ATOM 0 HB2 GLU A 42 4.990 12.328 0.055 1.00 2.14 H new ATOM 0 HB3 GLU A 42 6.354 13.428 0.083 1.00 2.14 H new ATOM 0 HG2 GLU A 42 4.516 14.914 -1.314 1.00 63.33 H new ATOM 0 HG3 GLU A 42 3.465 13.994 -0.256 1.00 63.33 H new ATOM 681 N ARG A 43 8.210 12.607 -2.019 1.00 10.22 N ATOM 682 CA ARG A 43 9.561 13.054 -2.337 1.00 41.30 C ATOM 683 C ARG A 43 9.866 12.853 -3.818 1.00 11.04 C ATOM 684 O ARG A 43 10.607 13.630 -4.421 1.00 24.51 O ATOM 685 CB ARG A 43 10.584 12.299 -1.487 1.00 64.41 C ATOM 686 CG ARG A 43 12.022 12.714 -1.752 1.00 51.33 C ATOM 687 CD ARG A 43 12.929 12.351 -0.587 1.00 74.13 C ATOM 688 NE ARG A 43 14.269 12.913 -0.743 1.00 64.24 N ATOM 689 CZ ARG A 43 15.185 12.903 0.219 1.00 52.00 C ATOM 690 NH1 ARG A 43 14.908 12.364 1.399 1.00 34.34 N ATOM 691 NH2 ARG A 43 16.382 13.433 0.003 1.00 20.14 N ATOM 0 H ARG A 43 8.161 11.680 -1.596 1.00 10.22 H new ATOM 0 HA ARG A 43 9.627 14.118 -2.112 1.00 41.30 H new ATOM 0 HB2 ARG A 43 10.357 12.459 -0.433 1.00 64.41 H new ATOM 0 HB3 ARG A 43 10.483 11.230 -1.676 1.00 64.41 H new ATOM 0 HG2 ARG A 43 12.381 12.228 -2.659 1.00 51.33 H new ATOM 0 HG3 ARG A 43 12.065 13.789 -1.927 1.00 51.33 H new ATOM 0 HD2 ARG A 43 12.489 12.714 0.342 1.00 74.13 H new ATOM 0 HD3 ARG A 43 12.998 11.266 -0.505 1.00 74.13 H new ATOM 0 HE ARG A 43 14.514 13.336 -1.638 1.00 64.24 H new ATOM 0 HH11 ARG A 43 13.989 11.955 1.570 1.00 34.34 H new ATOM 0 HH12 ARG A 43 15.614 12.358 2.135 1.00 34.34 H new ATOM 0 HH21 ARG A 43 16.600 13.849 -0.903 1.00 20.14 H new ATOM 0 HH22 ARG A 43 17.084 13.425 0.743 1.00 20.14 H new ATOM 705 N PHE A 44 9.290 11.806 -4.399 1.00 24.51 N ATOM 706 CA PHE A 44 9.501 11.502 -5.810 1.00 65.24 C ATOM 707 C PHE A 44 8.506 12.258 -6.683 1.00 10.25 C ATOM 708 O PHE A 44 8.157 11.811 -7.776 1.00 71.23 O ATOM 709 CB PHE A 44 9.370 9.996 -6.053 1.00 1.12 C ATOM 710 CG PHE A 44 10.583 9.214 -5.641 1.00 40.34 C ATOM 711 CD1 PHE A 44 10.997 9.199 -4.317 1.00 33.54 C ATOM 712 CD2 PHE A 44 11.312 8.495 -6.575 1.00 44.12 C ATOM 713 CE1 PHE A 44 12.113 8.479 -3.934 1.00 11.15 C ATOM 714 CE2 PHE A 44 12.428 7.773 -6.197 1.00 51.34 C ATOM 715 CZ PHE A 44 12.830 7.766 -4.876 1.00 51.25 C ATOM 0 H PHE A 44 8.673 11.154 -3.915 1.00 24.51 H new ATOM 0 HA PHE A 44 10.508 11.821 -6.079 1.00 65.24 H new ATOM 0 HB2 PHE A 44 8.504 9.622 -5.507 1.00 1.12 H new ATOM 0 HB3 PHE A 44 9.178 9.822 -7.112 1.00 1.12 H new ATOM 0 HD1 PHE A 44 10.441 9.756 -3.577 1.00 33.54 H new ATOM 0 HD2 PHE A 44 11.004 8.499 -7.610 1.00 44.12 H new ATOM 0 HE1 PHE A 44 12.424 8.474 -2.900 1.00 11.15 H new ATOM 0 HE2 PHE A 44 12.985 7.215 -6.934 1.00 51.34 H new ATOM 0 HZ PHE A 44 13.703 7.204 -4.579 1.00 51.25 H new ATOM 725 N ALA A 45 8.053 13.409 -6.196 1.00 72.42 N ATOM 726 CA ALA A 45 7.101 14.230 -6.932 1.00 24.11 C ATOM 727 C ALA A 45 5.816 13.458 -7.217 1.00 74.02 C ATOM 728 O ALA A 45 5.038 13.830 -8.095 1.00 41.22 O ATOM 729 CB ALA A 45 7.722 14.722 -8.231 1.00 4.23 C ATOM 0 H ALA A 45 8.331 13.794 -5.293 1.00 72.42 H new ATOM 0 HA ALA A 45 6.848 15.091 -6.314 1.00 24.11 H new ATOM 0 HB1 ALA A 45 6.999 15.334 -8.771 1.00 4.23 H new ATOM 0 HB2 ALA A 45 8.608 15.317 -8.008 1.00 4.23 H new ATOM 0 HB3 ALA A 45 8.005 13.867 -8.846 1.00 4.23 H new ATOM 735 N VAL A 46 5.601 12.379 -6.470 1.00 55.33 N ATOM 736 CA VAL A 46 4.411 11.555 -6.642 1.00 53.44 C ATOM 737 C VAL A 46 3.455 11.718 -5.466 1.00 51.33 C ATOM 738 O VAL A 46 3.775 11.347 -4.337 1.00 23.22 O ATOM 739 CB VAL A 46 4.777 10.066 -6.790 1.00 43.12 C ATOM 740 CG1 VAL A 46 3.521 9.209 -6.824 1.00 23.30 C ATOM 741 CG2 VAL A 46 5.617 9.845 -8.038 1.00 0.01 C ATOM 0 H VAL A 46 6.236 12.056 -5.740 1.00 55.33 H new ATOM 0 HA VAL A 46 3.920 11.894 -7.554 1.00 53.44 H new ATOM 0 HB VAL A 46 5.369 9.767 -5.925 1.00 43.12 H new ATOM 0 HG11 VAL A 46 3.799 8.160 -6.929 1.00 23.30 H new ATOM 0 HG12 VAL A 46 2.962 9.345 -5.898 1.00 23.30 H new ATOM 0 HG13 VAL A 46 2.900 9.506 -7.669 1.00 23.30 H new ATOM 0 HG21 VAL A 46 5.866 8.788 -8.126 1.00 0.01 H new ATOM 0 HG22 VAL A 46 5.053 10.160 -8.916 1.00 0.01 H new ATOM 0 HG23 VAL A 46 6.534 10.429 -7.967 1.00 0.01 H new ATOM 751 N ASN A 47 2.280 12.276 -5.738 1.00 1.32 N ATOM 752 CA ASN A 47 1.276 12.488 -4.701 1.00 11.45 C ATOM 753 C ASN A 47 0.940 11.180 -3.993 1.00 51.30 C ATOM 754 O ASN A 47 0.790 10.129 -4.616 1.00 22.52 O ATOM 755 CB ASN A 47 0.008 13.093 -5.307 1.00 14.50 C ATOM 756 CG ASN A 47 -0.220 14.525 -4.861 1.00 13.23 C ATOM 757 OD1 ASN A 47 -1.311 14.882 -4.417 1.00 22.24 O ATOM 758 ND2 ASN A 47 0.812 15.352 -4.977 1.00 12.22 N ATOM 0 H ASN A 47 1.999 12.590 -6.667 1.00 1.32 H new ATOM 0 HA ASN A 47 1.688 13.181 -3.968 1.00 11.45 H new ATOM 0 HB2 ASN A 47 0.077 13.061 -6.394 1.00 14.50 H new ATOM 0 HB3 ASN A 47 -0.852 12.486 -5.024 1.00 14.50 H new ATOM 0 HD21 ASN A 47 0.719 16.327 -4.692 1.00 12.22 H new ATOM 0 HD22 ASN A 47 1.698 15.012 -5.351 1.00 12.22 H new ATOM 765 N PRO A 48 0.820 11.244 -2.658 1.00 34.21 N ATOM 766 CA PRO A 48 0.499 10.073 -1.836 1.00 53.31 C ATOM 767 C PRO A 48 -0.934 9.596 -2.041 1.00 65.41 C ATOM 768 O PRO A 48 -1.343 8.575 -1.489 1.00 63.01 O ATOM 769 CB PRO A 48 0.694 10.581 -0.405 1.00 54.44 C ATOM 770 CG PRO A 48 0.484 12.053 -0.494 1.00 41.41 C ATOM 771 CD PRO A 48 0.987 12.463 -1.850 1.00 23.01 C ATOM 0 HA PRO A 48 1.122 9.215 -2.087 1.00 53.31 H new ATOM 0 HB2 PRO A 48 -0.018 10.120 0.279 1.00 54.44 H new ATOM 0 HB3 PRO A 48 1.691 10.345 -0.034 1.00 54.44 H new ATOM 0 HG2 PRO A 48 -0.570 12.304 -0.377 1.00 41.41 H new ATOM 0 HG3 PRO A 48 1.026 12.573 0.296 1.00 41.41 H new ATOM 0 HD2 PRO A 48 0.414 13.296 -2.256 1.00 23.01 H new ATOM 0 HD3 PRO A 48 2.029 12.781 -1.813 1.00 23.01 H new ATOM 779 N GLY A 49 -1.693 10.342 -2.838 1.00 42.22 N ATOM 780 CA GLY A 49 -3.074 9.978 -3.101 1.00 33.31 C ATOM 781 C GLY A 49 -3.209 9.034 -4.279 1.00 4.04 C ATOM 782 O GLY A 49 -4.311 8.590 -4.605 1.00 63.54 O ATOM 0 H GLY A 49 -1.377 11.191 -3.306 1.00 42.22 H new ATOM 0 HA2 GLY A 49 -3.499 9.510 -2.213 1.00 33.31 H new ATOM 0 HA3 GLY A 49 -3.654 10.880 -3.294 1.00 33.31 H new ATOM 786 N LEU A 50 -2.088 8.728 -4.923 1.00 63.14 N ATOM 787 CA LEU A 50 -2.086 7.832 -6.073 1.00 33.33 C ATOM 788 C LEU A 50 -2.011 6.375 -5.629 1.00 31.43 C ATOM 789 O LEU A 50 -1.641 5.496 -6.408 1.00 71.22 O ATOM 790 CB LEU A 50 -0.910 8.157 -6.996 1.00 3.53 C ATOM 791 CG LEU A 50 -0.842 9.593 -7.518 1.00 63.34 C ATOM 792 CD1 LEU A 50 0.459 9.828 -8.268 1.00 2.12 C ATOM 793 CD2 LEU A 50 -2.038 9.892 -8.411 1.00 51.23 C ATOM 0 H LEU A 50 -1.168 9.088 -4.668 1.00 63.14 H new ATOM 0 HA LEU A 50 -3.019 7.979 -6.618 1.00 33.33 H new ATOM 0 HB2 LEU A 50 0.015 7.942 -6.462 1.00 3.53 H new ATOM 0 HB3 LEU A 50 -0.948 7.482 -7.851 1.00 3.53 H new ATOM 0 HG LEU A 50 -0.872 10.271 -6.665 1.00 63.34 H new ATOM 0 HD11 LEU A 50 0.489 10.855 -8.632 1.00 2.12 H new ATOM 0 HD12 LEU A 50 1.301 9.656 -7.598 1.00 2.12 H new ATOM 0 HD13 LEU A 50 0.521 9.142 -9.113 1.00 2.12 H new ATOM 0 HD21 LEU A 50 -1.974 10.918 -8.774 1.00 51.23 H new ATOM 0 HD22 LEU A 50 -2.039 9.207 -9.259 1.00 51.23 H new ATOM 0 HD23 LEU A 50 -2.958 9.766 -7.841 1.00 51.23 H new ATOM 805 N LEU A 51 -2.367 6.126 -4.374 1.00 75.25 N ATOM 806 CA LEU A 51 -2.341 4.774 -3.826 1.00 43.30 C ATOM 807 C LEU A 51 -3.757 4.233 -3.648 1.00 54.13 C ATOM 808 O LEU A 51 -3.947 3.058 -3.335 1.00 73.34 O ATOM 809 CB LEU A 51 -1.604 4.760 -2.485 1.00 5.33 C ATOM 810 CG LEU A 51 -0.221 5.410 -2.472 1.00 35.21 C ATOM 811 CD1 LEU A 51 0.419 5.277 -1.099 1.00 21.45 C ATOM 812 CD2 LEU A 51 0.670 4.789 -3.540 1.00 4.42 C ATOM 0 H LEU A 51 -2.677 6.842 -3.717 1.00 75.25 H new ATOM 0 HA LEU A 51 -1.812 4.132 -4.530 1.00 43.30 H new ATOM 0 HB2 LEU A 51 -2.227 5.264 -1.746 1.00 5.33 H new ATOM 0 HB3 LEU A 51 -1.500 3.724 -2.162 1.00 5.33 H new ATOM 0 HG LEU A 51 -0.337 6.471 -2.695 1.00 35.21 H new ATOM 0 HD11 LEU A 51 1.403 5.746 -1.109 1.00 21.45 H new ATOM 0 HD12 LEU A 51 -0.209 5.768 -0.356 1.00 21.45 H new ATOM 0 HD13 LEU A 51 0.522 4.222 -0.846 1.00 21.45 H new ATOM 0 HD21 LEU A 51 1.651 5.264 -3.517 1.00 4.42 H new ATOM 0 HD22 LEU A 51 0.779 3.722 -3.348 1.00 4.42 H new ATOM 0 HD23 LEU A 51 0.219 4.937 -4.521 1.00 4.42 H new ATOM 824 N GLU A 52 -4.745 5.098 -3.850 1.00 10.13 N ATOM 825 CA GLU A 52 -6.143 4.705 -3.713 1.00 74.41 C ATOM 826 C GLU A 52 -6.825 4.636 -5.077 1.00 53.13 C ATOM 827 O GLU A 52 -7.912 5.183 -5.268 1.00 4.42 O ATOM 828 CB GLU A 52 -6.886 5.689 -2.808 1.00 22.12 C ATOM 829 CG GLU A 52 -6.862 7.121 -3.316 1.00 72.01 C ATOM 830 CD GLU A 52 -8.233 7.768 -3.302 1.00 21.40 C ATOM 831 OE1 GLU A 52 -8.595 8.371 -2.270 1.00 13.12 O ATOM 832 OE2 GLU A 52 -8.946 7.670 -4.324 1.00 73.42 O ATOM 0 H GLU A 52 -4.604 6.075 -4.109 1.00 10.13 H new ATOM 0 HA GLU A 52 -6.173 3.714 -3.261 1.00 74.41 H new ATOM 0 HB2 GLU A 52 -7.922 5.366 -2.707 1.00 22.12 H new ATOM 0 HB3 GLU A 52 -6.444 5.658 -1.812 1.00 22.12 H new ATOM 0 HG2 GLU A 52 -6.181 7.709 -2.701 1.00 72.01 H new ATOM 0 HG3 GLU A 52 -6.468 7.136 -4.332 1.00 72.01 H new ATOM 839 N THR A 53 -6.179 3.962 -6.022 1.00 35.23 N ATOM 840 CA THR A 53 -6.721 3.822 -7.368 1.00 44.53 C ATOM 841 C THR A 53 -5.831 2.934 -8.230 1.00 4.25 C ATOM 842 O THR A 53 -4.682 3.276 -8.511 1.00 51.01 O ATOM 843 CB THR A 53 -6.878 5.193 -8.054 1.00 23.23 C ATOM 844 OG1 THR A 53 -6.775 5.043 -9.475 1.00 10.12 O ATOM 845 CG2 THR A 53 -5.821 6.168 -7.564 1.00 54.21 C ATOM 0 H THR A 53 -5.279 3.504 -5.880 1.00 35.23 H new ATOM 0 HA THR A 53 -7.702 3.359 -7.268 1.00 44.53 H new ATOM 0 HB THR A 53 -7.860 5.591 -7.801 1.00 23.23 H new ATOM 0 HG1 THR A 53 -6.877 5.918 -9.905 1.00 10.12 H new ATOM 0 HG21 THR A 53 -5.953 7.128 -8.063 1.00 54.21 H new ATOM 0 HG22 THR A 53 -5.921 6.302 -6.487 1.00 54.21 H new ATOM 0 HG23 THR A 53 -4.830 5.774 -7.790 1.00 54.21 H new ATOM 853 N SER A 54 -6.370 1.793 -8.648 1.00 12.51 N ATOM 854 CA SER A 54 -5.622 0.854 -9.477 1.00 4.21 C ATOM 855 C SER A 54 -5.015 1.560 -10.685 1.00 20.31 C ATOM 856 O SER A 54 -3.919 1.219 -11.129 1.00 52.31 O ATOM 857 CB SER A 54 -6.532 -0.285 -9.941 1.00 3.41 C ATOM 858 OG SER A 54 -6.899 -0.122 -11.301 1.00 64.15 O ATOM 0 H SER A 54 -7.321 1.497 -8.427 1.00 12.51 H new ATOM 0 HA SER A 54 -4.812 0.441 -8.875 1.00 4.21 H new ATOM 0 HB2 SER A 54 -6.021 -1.239 -9.811 1.00 3.41 H new ATOM 0 HB3 SER A 54 -7.428 -0.315 -9.320 1.00 3.41 H new ATOM 0 HG SER A 54 -7.479 -0.863 -11.574 1.00 64.15 H new ATOM 864 N GLU A 55 -5.736 2.545 -11.211 1.00 74.50 N ATOM 865 CA GLU A 55 -5.267 3.298 -12.369 1.00 25.15 C ATOM 866 C GLU A 55 -4.237 4.345 -11.957 1.00 13.12 C ATOM 867 O GLU A 55 -3.429 4.791 -12.770 1.00 33.43 O ATOM 868 CB GLU A 55 -6.445 3.976 -13.074 1.00 51.12 C ATOM 869 CG GLU A 55 -7.554 3.015 -13.468 1.00 73.30 C ATOM 870 CD GLU A 55 -8.841 3.728 -13.836 1.00 34.01 C ATOM 871 OE1 GLU A 55 -9.641 4.016 -12.923 1.00 23.33 O ATOM 872 OE2 GLU A 55 -9.045 3.997 -15.039 1.00 42.41 O ATOM 0 H GLU A 55 -6.645 2.840 -10.855 1.00 74.50 H new ATOM 0 HA GLU A 55 -4.793 2.599 -13.058 1.00 25.15 H new ATOM 0 HB2 GLU A 55 -6.857 4.743 -12.419 1.00 51.12 H new ATOM 0 HB3 GLU A 55 -6.080 4.482 -13.968 1.00 51.12 H new ATOM 0 HG2 GLU A 55 -7.223 2.411 -14.313 1.00 73.30 H new ATOM 0 HG3 GLU A 55 -7.746 2.330 -12.642 1.00 73.30 H new ATOM 879 N GLY A 56 -4.272 4.733 -10.685 1.00 11.51 N ATOM 880 CA GLY A 56 -3.337 5.725 -10.186 1.00 30.04 C ATOM 881 C GLY A 56 -2.111 5.098 -9.553 1.00 72.30 C ATOM 882 O GLY A 56 -1.149 5.794 -9.225 1.00 71.24 O ATOM 0 H GLY A 56 -4.931 4.378 -9.992 1.00 11.51 H new ATOM 0 HA2 GLY A 56 -3.028 6.373 -11.006 1.00 30.04 H new ATOM 0 HA3 GLY A 56 -3.839 6.356 -9.452 1.00 30.04 H new ATOM 886 N CYS A 57 -2.144 3.782 -9.380 1.00 32.44 N ATOM 887 CA CYS A 57 -1.027 3.060 -8.780 1.00 55.23 C ATOM 888 C CYS A 57 -0.026 2.622 -9.844 1.00 41.10 C ATOM 889 O CYS A 57 1.166 2.485 -9.571 1.00 13.52 O ATOM 890 CB CYS A 57 -1.534 1.843 -8.007 1.00 25.43 C ATOM 891 SG CYS A 57 -2.536 2.252 -6.558 1.00 2.33 S ATOM 0 H CYS A 57 -2.932 3.192 -9.647 1.00 32.44 H new ATOM 0 HA CYS A 57 -0.522 3.735 -8.089 1.00 55.23 H new ATOM 0 HB2 CYS A 57 -2.124 1.219 -8.679 1.00 25.43 H new ATOM 0 HB3 CYS A 57 -0.679 1.247 -7.688 1.00 25.43 H new ATOM 0 HG CYS A 57 -3.636 2.831 -6.940 1.00 2.33 H new ATOM 897 N ARG A 58 -0.521 2.401 -11.058 1.00 61.22 N ATOM 898 CA ARG A 58 0.328 1.974 -12.163 1.00 11.21 C ATOM 899 C ARG A 58 1.158 3.141 -12.692 1.00 1.05 C ATOM 900 O ARG A 58 2.309 2.964 -13.093 1.00 45.12 O ATOM 901 CB ARG A 58 -0.522 1.386 -13.291 1.00 43.53 C ATOM 902 CG ARG A 58 0.216 1.274 -14.614 1.00 23.05 C ATOM 903 CD ARG A 58 -0.021 2.495 -15.490 1.00 52.44 C ATOM 904 NE ARG A 58 0.006 2.164 -16.912 1.00 74.44 N ATOM 905 CZ ARG A 58 -0.248 3.041 -17.876 1.00 50.32 C ATOM 906 NH1 ARG A 58 -0.545 4.297 -17.573 1.00 65.25 N ATOM 907 NH2 ARG A 58 -0.203 2.663 -19.148 1.00 62.35 N ATOM 0 H ARG A 58 -1.506 2.511 -11.301 1.00 61.22 H new ATOM 0 HA ARG A 58 1.006 1.206 -11.791 1.00 11.21 H new ATOM 0 HB2 ARG A 58 -0.870 0.397 -12.994 1.00 43.53 H new ATOM 0 HB3 ARG A 58 -1.407 2.007 -13.430 1.00 43.53 H new ATOM 0 HG2 ARG A 58 1.284 1.160 -14.428 1.00 23.05 H new ATOM 0 HG3 ARG A 58 -0.113 0.378 -15.140 1.00 23.05 H new ATOM 0 HD2 ARG A 58 -0.985 2.939 -15.240 1.00 52.44 H new ATOM 0 HD3 ARG A 58 0.740 3.246 -15.278 1.00 52.44 H new ATOM 0 HE ARG A 58 0.233 1.206 -17.180 1.00 74.44 H new ATOM 0 HH11 ARG A 58 -0.579 4.592 -16.597 1.00 65.25 H new ATOM 0 HH12 ARG A 58 -0.740 4.968 -18.316 1.00 65.25 H new ATOM 0 HH21 ARG A 58 0.027 1.698 -19.385 1.00 62.35 H new ATOM 0 HH22 ARG A 58 -0.398 3.338 -19.888 1.00 62.35 H new ATOM 921 N GLN A 59 0.565 4.330 -12.691 1.00 20.24 N ATOM 922 CA GLN A 59 1.249 5.524 -13.173 1.00 41.21 C ATOM 923 C GLN A 59 2.571 5.727 -12.441 1.00 62.33 C ATOM 924 O GLN A 59 3.551 6.189 -13.025 1.00 15.21 O ATOM 925 CB GLN A 59 0.359 6.755 -12.993 1.00 1.35 C ATOM 926 CG GLN A 59 -0.066 7.395 -14.306 1.00 61.00 C ATOM 927 CD GLN A 59 -1.567 7.355 -14.515 1.00 22.04 C ATOM 928 OE1 GLN A 59 -2.242 8.384 -14.458 1.00 34.52 O ATOM 929 NE2 GLN A 59 -2.099 6.163 -14.759 1.00 22.35 N ATOM 0 H GLN A 59 -0.387 4.492 -12.362 1.00 20.24 H new ATOM 0 HA GLN A 59 1.459 5.388 -14.234 1.00 41.21 H new ATOM 0 HB2 GLN A 59 -0.531 6.471 -12.432 1.00 1.35 H new ATOM 0 HB3 GLN A 59 0.891 7.494 -12.394 1.00 1.35 H new ATOM 0 HG2 GLN A 59 0.273 8.431 -14.327 1.00 61.00 H new ATOM 0 HG3 GLN A 59 0.426 6.882 -15.132 1.00 61.00 H new ATOM 0 HE21 GLN A 59 -1.503 5.336 -14.797 1.00 22.35 H new ATOM 0 HE22 GLN A 59 -3.104 6.074 -14.908 1.00 22.35 H new ATOM 938 N ILE A 60 2.590 5.379 -11.158 1.00 31.44 N ATOM 939 CA ILE A 60 3.793 5.522 -10.346 1.00 23.01 C ATOM 940 C ILE A 60 4.940 4.693 -10.912 1.00 11.35 C ATOM 941 O ILE A 60 5.990 5.230 -11.272 1.00 25.24 O ATOM 942 CB ILE A 60 3.540 5.099 -8.887 1.00 41.42 C ATOM 943 CG1 ILE A 60 2.325 5.838 -8.322 1.00 65.32 C ATOM 944 CG2 ILE A 60 4.772 5.368 -8.036 1.00 33.25 C ATOM 945 CD1 ILE A 60 1.772 5.214 -7.060 1.00 72.14 C ATOM 0 H ILE A 60 1.787 4.996 -10.659 1.00 31.44 H new ATOM 0 HA ILE A 60 4.065 6.577 -10.368 1.00 23.01 H new ATOM 0 HB ILE A 60 3.334 4.029 -8.865 1.00 41.42 H new ATOM 0 HG12 ILE A 60 2.602 6.872 -8.115 1.00 65.32 H new ATOM 0 HG13 ILE A 60 1.541 5.864 -9.079 1.00 65.32 H new ATOM 0 HG21 ILE A 60 4.577 5.064 -7.008 1.00 33.25 H new ATOM 0 HG22 ILE A 60 5.616 4.801 -8.429 1.00 33.25 H new ATOM 0 HG23 ILE A 60 5.006 6.432 -8.061 1.00 33.25 H new ATOM 0 HD11 ILE A 60 0.913 5.790 -6.716 1.00 72.14 H new ATOM 0 HD12 ILE A 60 1.463 4.189 -7.266 1.00 72.14 H new ATOM 0 HD13 ILE A 60 2.541 5.213 -6.287 1.00 72.14 H new ATOM 957 N LEU A 61 4.735 3.384 -10.990 1.00 62.51 N ATOM 958 CA LEU A 61 5.752 2.480 -11.515 1.00 61.41 C ATOM 959 C LEU A 61 6.252 2.954 -12.876 1.00 73.32 C ATOM 960 O LEU A 61 7.410 2.740 -13.231 1.00 32.13 O ATOM 961 CB LEU A 61 5.191 1.061 -11.631 1.00 34.34 C ATOM 962 CG LEU A 61 4.518 0.501 -10.378 1.00 22.10 C ATOM 963 CD1 LEU A 61 3.326 -0.365 -10.754 1.00 41.32 C ATOM 964 CD2 LEU A 61 5.515 -0.294 -9.548 1.00 52.34 C ATOM 0 H LEU A 61 3.873 2.924 -10.696 1.00 62.51 H new ATOM 0 HA LEU A 61 6.592 2.476 -10.821 1.00 61.41 H new ATOM 0 HB2 LEU A 61 4.468 1.043 -12.446 1.00 34.34 H new ATOM 0 HB3 LEU A 61 6.004 0.392 -11.912 1.00 34.34 H new ATOM 0 HG LEU A 61 4.159 1.337 -9.777 1.00 22.10 H new ATOM 0 HD11 LEU A 61 2.860 -0.755 -9.849 1.00 41.32 H new ATOM 0 HD12 LEU A 61 2.602 0.233 -11.307 1.00 41.32 H new ATOM 0 HD13 LEU A 61 3.661 -1.195 -11.376 1.00 41.32 H new ATOM 0 HD21 LEU A 61 5.019 -0.685 -8.660 1.00 52.34 H new ATOM 0 HD22 LEU A 61 5.904 -1.122 -10.141 1.00 52.34 H new ATOM 0 HD23 LEU A 61 6.338 0.355 -9.248 1.00 52.34 H new ATOM 976 N GLY A 62 5.371 3.600 -13.633 1.00 41.43 N ATOM 977 CA GLY A 62 5.742 4.097 -14.945 1.00 74.25 C ATOM 978 C GLY A 62 6.738 5.238 -14.872 1.00 0.14 C ATOM 979 O GLY A 62 7.610 5.363 -15.732 1.00 60.13 O ATOM 0 H GLY A 62 4.406 3.788 -13.361 1.00 41.43 H new ATOM 0 HA2 GLY A 62 6.169 3.283 -15.531 1.00 74.25 H new ATOM 0 HA3 GLY A 62 4.847 4.433 -15.469 1.00 74.25 H new ATOM 983 N GLN A 63 6.606 6.072 -13.846 1.00 0.32 N ATOM 984 CA GLN A 63 7.501 7.209 -13.667 1.00 5.00 C ATOM 985 C GLN A 63 8.891 6.748 -13.240 1.00 45.31 C ATOM 986 O GLN A 63 9.901 7.226 -13.757 1.00 25.54 O ATOM 987 CB GLN A 63 6.930 8.175 -12.628 1.00 42.44 C ATOM 988 CG GLN A 63 6.397 9.468 -13.226 1.00 21.52 C ATOM 989 CD GLN A 63 7.202 10.681 -12.805 1.00 12.41 C ATOM 990 OE1 GLN A 63 7.825 11.345 -13.635 1.00 44.55 O ATOM 991 NE2 GLN A 63 7.193 10.978 -11.512 1.00 52.45 N ATOM 0 H GLN A 63 5.889 5.982 -13.127 1.00 0.32 H new ATOM 0 HA GLN A 63 7.588 7.724 -14.624 1.00 5.00 H new ATOM 0 HB2 GLN A 63 6.127 7.678 -12.085 1.00 42.44 H new ATOM 0 HB3 GLN A 63 7.706 8.414 -11.901 1.00 42.44 H new ATOM 0 HG2 GLN A 63 6.405 9.391 -14.313 1.00 21.52 H new ATOM 0 HG3 GLN A 63 5.359 9.603 -12.923 1.00 21.52 H new ATOM 0 HE21 GLN A 63 6.663 10.400 -10.860 1.00 52.45 H new ATOM 0 HE22 GLN A 63 7.716 11.784 -11.170 1.00 52.45 H new ATOM 1000 N LEU A 64 8.934 5.816 -12.294 1.00 50.45 N ATOM 1001 CA LEU A 64 10.200 5.290 -11.796 1.00 62.31 C ATOM 1002 C LEU A 64 10.776 4.256 -12.759 1.00 4.33 C ATOM 1003 O LEU A 64 11.968 3.954 -12.719 1.00 1.02 O ATOM 1004 CB LEU A 64 10.007 4.664 -10.414 1.00 52.11 C ATOM 1005 CG LEU A 64 9.125 5.446 -9.440 1.00 4.23 C ATOM 1006 CD1 LEU A 64 8.876 4.637 -8.176 1.00 15.45 C ATOM 1007 CD2 LEU A 64 9.762 6.786 -9.101 1.00 54.12 C ATOM 0 H LEU A 64 8.107 5.409 -11.857 1.00 50.45 H new ATOM 0 HA LEU A 64 10.904 6.119 -11.717 1.00 62.31 H new ATOM 0 HB2 LEU A 64 9.578 3.671 -10.544 1.00 52.11 H new ATOM 0 HB3 LEU A 64 10.988 4.530 -9.958 1.00 52.11 H new ATOM 0 HG LEU A 64 8.165 5.634 -9.921 1.00 4.23 H new ATOM 0 HD11 LEU A 64 8.247 5.210 -7.495 1.00 15.45 H new ATOM 0 HD12 LEU A 64 8.376 3.704 -8.434 1.00 15.45 H new ATOM 0 HD13 LEU A 64 9.827 4.417 -7.692 1.00 15.45 H new ATOM 0 HD21 LEU A 64 9.120 7.329 -8.407 1.00 54.12 H new ATOM 0 HD22 LEU A 64 10.736 6.620 -8.641 1.00 54.12 H new ATOM 0 HD23 LEU A 64 9.887 7.371 -10.012 1.00 54.12 H new ATOM 1019 N GLN A 65 9.921 3.720 -13.624 1.00 4.42 N ATOM 1020 CA GLN A 65 10.345 2.722 -14.598 1.00 14.54 C ATOM 1021 C GLN A 65 11.587 3.190 -15.351 1.00 1.34 C ATOM 1022 O GLN A 65 12.643 2.559 -15.308 1.00 11.32 O ATOM 1023 CB GLN A 65 9.215 2.431 -15.587 1.00 73.51 C ATOM 1024 CG GLN A 65 8.690 1.006 -15.507 1.00 42.14 C ATOM 1025 CD GLN A 65 8.401 0.413 -16.872 1.00 64.22 C ATOM 1026 OE1 GLN A 65 9.305 0.231 -17.687 1.00 60.02 O ATOM 1027 NE2 GLN A 65 7.134 0.107 -17.128 1.00 40.02 N ATOM 0 H GLN A 65 8.931 3.960 -13.670 1.00 4.42 H new ATOM 0 HA GLN A 65 10.591 1.807 -14.059 1.00 14.54 H new ATOM 0 HB2 GLN A 65 8.394 3.123 -15.402 1.00 73.51 H new ATOM 0 HB3 GLN A 65 9.571 2.622 -16.599 1.00 73.51 H new ATOM 0 HG2 GLN A 65 9.420 0.382 -14.991 1.00 42.14 H new ATOM 0 HG3 GLN A 65 7.779 0.991 -14.909 1.00 42.14 H new ATOM 0 HE21 GLN A 65 6.416 0.275 -16.423 1.00 40.02 H new ATOM 0 HE22 GLN A 65 6.879 -0.296 -18.030 1.00 40.02 H new ATOM 1036 N PRO A 66 11.458 4.323 -16.059 1.00 32.52 N ATOM 1037 CA PRO A 66 12.560 4.900 -16.836 1.00 61.24 C ATOM 1038 C PRO A 66 13.662 5.465 -15.946 1.00 62.34 C ATOM 1039 O PRO A 66 14.683 5.947 -16.436 1.00 71.32 O ATOM 1040 CB PRO A 66 11.885 6.021 -17.629 1.00 41.32 C ATOM 1041 CG PRO A 66 10.692 6.394 -16.818 1.00 53.23 C ATOM 1042 CD PRO A 66 10.228 5.127 -16.156 1.00 31.50 C ATOM 0 HA PRO A 66 13.053 4.155 -17.461 1.00 61.24 H new ATOM 0 HB2 PRO A 66 12.555 6.871 -17.762 1.00 41.32 H new ATOM 0 HB3 PRO A 66 11.597 5.684 -18.625 1.00 41.32 H new ATOM 0 HG2 PRO A 66 10.946 7.151 -16.076 1.00 53.23 H new ATOM 0 HG3 PRO A 66 9.908 6.815 -17.448 1.00 53.23 H new ATOM 0 HD2 PRO A 66 9.796 5.321 -15.174 1.00 31.50 H new ATOM 0 HD3 PRO A 66 9.463 4.622 -16.746 1.00 31.50 H new ATOM 1050 N SER A 67 13.448 5.402 -14.635 1.00 15.43 N ATOM 1051 CA SER A 67 14.423 5.911 -13.677 1.00 4.23 C ATOM 1052 C SER A 67 15.178 4.765 -13.009 1.00 44.32 C ATOM 1053 O SER A 67 16.181 4.981 -12.327 1.00 65.21 O ATOM 1054 CB SER A 67 13.727 6.766 -12.615 1.00 33.52 C ATOM 1055 OG SER A 67 13.157 7.929 -13.191 1.00 21.43 O ATOM 0 H SER A 67 12.609 5.004 -14.213 1.00 15.43 H new ATOM 0 HA SER A 67 15.140 6.528 -14.218 1.00 4.23 H new ATOM 0 HB2 SER A 67 12.949 6.181 -12.124 1.00 33.52 H new ATOM 0 HB3 SER A 67 14.444 7.051 -11.846 1.00 33.52 H new ATOM 0 HG SER A 67 12.717 8.458 -12.493 1.00 21.43 H new ATOM 1061 N LEU A 68 14.689 3.547 -13.210 1.00 64.21 N ATOM 1062 CA LEU A 68 15.316 2.365 -12.628 1.00 44.31 C ATOM 1063 C LEU A 68 16.807 2.328 -12.945 1.00 21.33 C ATOM 1064 O LEU A 68 17.586 1.690 -12.238 1.00 63.41 O ATOM 1065 CB LEU A 68 14.639 1.096 -13.148 1.00 53.50 C ATOM 1066 CG LEU A 68 13.211 0.847 -12.659 1.00 14.43 C ATOM 1067 CD1 LEU A 68 12.442 0.007 -13.666 1.00 64.13 C ATOM 1068 CD2 LEU A 68 13.224 0.172 -11.296 1.00 71.23 C ATOM 0 H LEU A 68 13.860 3.351 -13.772 1.00 64.21 H new ATOM 0 HA LEU A 68 15.195 2.415 -11.546 1.00 44.31 H new ATOM 0 HB2 LEU A 68 14.627 1.135 -14.237 1.00 53.50 H new ATOM 0 HB3 LEU A 68 15.252 0.240 -12.867 1.00 53.50 H new ATOM 0 HG LEU A 68 12.708 1.809 -12.560 1.00 14.43 H new ATOM 0 HD11 LEU A 68 11.428 -0.160 -13.302 1.00 64.13 H new ATOM 0 HD12 LEU A 68 12.403 0.530 -14.621 1.00 64.13 H new ATOM 0 HD13 LEU A 68 12.943 -0.952 -13.798 1.00 64.13 H new ATOM 0 HD21 LEU A 68 12.200 0.003 -10.964 1.00 71.23 H new ATOM 0 HD22 LEU A 68 13.745 -0.783 -11.368 1.00 71.23 H new ATOM 0 HD23 LEU A 68 13.737 0.812 -10.578 1.00 71.23 H new ATOM 1080 N GLN A 69 17.196 3.017 -14.013 1.00 54.51 N ATOM 1081 CA GLN A 69 18.595 3.063 -14.424 1.00 64.44 C ATOM 1082 C GLN A 69 19.335 4.190 -13.710 1.00 70.42 C ATOM 1083 O GLN A 69 20.481 4.026 -13.292 1.00 51.55 O ATOM 1084 CB GLN A 69 18.698 3.249 -15.939 1.00 45.02 C ATOM 1085 CG GLN A 69 20.026 2.788 -16.519 1.00 3.31 C ATOM 1086 CD GLN A 69 20.049 1.302 -16.813 1.00 22.12 C ATOM 1087 OE1 GLN A 69 19.769 0.874 -17.933 1.00 14.44 O ATOM 1088 NE2 GLN A 69 20.384 0.504 -15.806 1.00 72.04 N ATOM 0 H GLN A 69 16.563 3.551 -14.609 1.00 54.51 H new ATOM 0 HA GLN A 69 19.060 2.116 -14.149 1.00 64.44 H new ATOM 0 HB2 GLN A 69 17.890 2.698 -16.420 1.00 45.02 H new ATOM 0 HB3 GLN A 69 18.552 4.302 -16.178 1.00 45.02 H new ATOM 0 HG2 GLN A 69 20.228 3.339 -17.437 1.00 3.31 H new ATOM 0 HG3 GLN A 69 20.827 3.029 -15.820 1.00 3.31 H new ATOM 0 HE21 GLN A 69 20.609 0.901 -14.894 1.00 72.04 H new ATOM 0 HE22 GLN A 69 20.417 -0.506 -15.945 1.00 72.04 H new ATOM 1097 N THR A 70 18.671 5.334 -13.575 1.00 71.35 N ATOM 1098 CA THR A 70 19.267 6.489 -12.913 1.00 61.44 C ATOM 1099 C THR A 70 18.779 6.609 -11.473 1.00 13.40 C ATOM 1100 O THR A 70 18.430 7.696 -11.016 1.00 43.22 O ATOM 1101 CB THR A 70 18.943 7.794 -13.663 1.00 14.41 C ATOM 1102 OG1 THR A 70 17.530 7.910 -13.860 1.00 23.21 O ATOM 1103 CG2 THR A 70 19.652 7.835 -15.009 1.00 74.42 C ATOM 0 H THR A 70 17.721 5.486 -13.915 1.00 71.35 H new ATOM 0 HA THR A 70 20.346 6.335 -12.917 1.00 61.44 H new ATOM 0 HB THR A 70 19.294 8.630 -13.058 1.00 14.41 H new ATOM 0 HG1 THR A 70 17.333 8.744 -14.336 1.00 23.21 H new ATOM 0 HG21 THR A 70 19.408 8.766 -15.521 1.00 74.42 H new ATOM 0 HG22 THR A 70 20.729 7.777 -14.855 1.00 74.42 H new ATOM 0 HG23 THR A 70 19.327 6.991 -15.617 1.00 74.42 H new ATOM 1111 N GLY A 71 18.759 5.485 -10.764 1.00 74.23 N ATOM 1112 CA GLY A 71 18.314 5.487 -9.382 1.00 22.25 C ATOM 1113 C GLY A 71 18.873 4.322 -8.591 1.00 74.21 C ATOM 1114 O GLY A 71 19.108 3.246 -9.140 1.00 21.43 O ATOM 0 H GLY A 71 19.043 4.573 -11.121 1.00 74.23 H new ATOM 0 HA2 GLY A 71 18.615 6.421 -8.908 1.00 22.25 H new ATOM 0 HA3 GLY A 71 17.225 5.452 -9.354 1.00 22.25 H new ATOM 1118 N SER A 72 19.088 4.536 -7.297 1.00 1.14 N ATOM 1119 CA SER A 72 19.628 3.496 -6.429 1.00 35.02 C ATOM 1120 C SER A 72 18.508 2.658 -5.822 1.00 11.41 C ATOM 1121 O SER A 72 17.370 2.694 -6.289 1.00 40.32 O ATOM 1122 CB SER A 72 20.475 4.119 -5.318 1.00 45.25 C ATOM 1123 OG SER A 72 19.661 4.806 -4.382 1.00 12.12 O ATOM 0 H SER A 72 18.896 5.420 -6.826 1.00 1.14 H new ATOM 0 HA SER A 72 20.258 2.844 -7.034 1.00 35.02 H new ATOM 0 HB2 SER A 72 21.043 3.340 -4.809 1.00 45.25 H new ATOM 0 HB3 SER A 72 21.199 4.809 -5.751 1.00 45.25 H new ATOM 0 HG SER A 72 20.225 5.194 -3.681 1.00 12.12 H new ATOM 1129 N GLU A 73 18.840 1.904 -4.779 1.00 40.40 N ATOM 1130 CA GLU A 73 17.862 1.056 -4.108 1.00 5.45 C ATOM 1131 C GLU A 73 16.711 1.889 -3.550 1.00 42.33 C ATOM 1132 O GLU A 73 15.699 1.348 -3.105 1.00 11.33 O ATOM 1133 CB GLU A 73 18.527 0.266 -2.980 1.00 64.43 C ATOM 1134 CG GLU A 73 19.228 1.141 -1.954 1.00 30.24 C ATOM 1135 CD GLU A 73 20.309 0.397 -1.195 1.00 40.54 C ATOM 1136 OE1 GLU A 73 21.406 0.205 -1.760 1.00 41.32 O ATOM 1137 OE2 GLU A 73 20.058 0.009 -0.034 1.00 3.14 O ATOM 0 H GLU A 73 19.778 1.863 -4.381 1.00 40.40 H new ATOM 0 HA GLU A 73 17.460 0.358 -4.843 1.00 5.45 H new ATOM 0 HB2 GLU A 73 17.772 -0.336 -2.476 1.00 64.43 H new ATOM 0 HB3 GLU A 73 19.251 -0.426 -3.410 1.00 64.43 H new ATOM 0 HG2 GLU A 73 19.669 2.002 -2.457 1.00 30.24 H new ATOM 0 HG3 GLU A 73 18.493 1.526 -1.248 1.00 30.24 H new ATOM 1144 N GLU A 74 16.875 3.209 -3.576 1.00 34.44 N ATOM 1145 CA GLU A 74 15.852 4.116 -3.072 1.00 4.34 C ATOM 1146 C GLU A 74 14.649 4.155 -4.011 1.00 20.31 C ATOM 1147 O GLU A 74 13.514 4.356 -3.576 1.00 71.43 O ATOM 1148 CB GLU A 74 16.426 5.524 -2.903 1.00 23.44 C ATOM 1149 CG GLU A 74 17.332 5.670 -1.693 1.00 53.25 C ATOM 1150 CD GLU A 74 17.880 7.076 -1.541 1.00 40.20 C ATOM 1151 OE1 GLU A 74 18.776 7.452 -2.325 1.00 11.12 O ATOM 1152 OE2 GLU A 74 17.413 7.800 -0.637 1.00 5.11 O ATOM 0 H GLU A 74 17.707 3.673 -3.941 1.00 34.44 H new ATOM 0 HA GLU A 74 15.522 3.747 -2.101 1.00 4.34 H new ATOM 0 HB2 GLU A 74 16.986 5.789 -3.800 1.00 23.44 H new ATOM 0 HB3 GLU A 74 15.604 6.235 -2.819 1.00 23.44 H new ATOM 0 HG2 GLU A 74 16.777 5.401 -0.794 1.00 53.25 H new ATOM 0 HG3 GLU A 74 18.161 4.968 -1.778 1.00 53.25 H new ATOM 1159 N LEU A 75 14.905 3.961 -5.300 1.00 14.51 N ATOM 1160 CA LEU A 75 13.845 3.974 -6.301 1.00 2.42 C ATOM 1161 C LEU A 75 13.391 2.556 -6.632 1.00 34.45 C ATOM 1162 O LEU A 75 12.280 2.346 -7.119 1.00 41.45 O ATOM 1163 CB LEU A 75 14.323 4.678 -7.571 1.00 14.43 C ATOM 1164 CG LEU A 75 13.379 4.615 -8.771 1.00 21.14 C ATOM 1165 CD1 LEU A 75 13.414 5.921 -9.550 1.00 62.22 C ATOM 1166 CD2 LEU A 75 13.741 3.444 -9.674 1.00 34.12 C ATOM 0 H LEU A 75 15.838 3.793 -5.676 1.00 14.51 H new ATOM 0 HA LEU A 75 12.997 4.520 -5.888 1.00 2.42 H new ATOM 0 HB2 LEU A 75 14.507 5.726 -7.334 1.00 14.43 H new ATOM 0 HB3 LEU A 75 15.279 4.245 -7.864 1.00 14.43 H new ATOM 0 HG LEU A 75 12.365 4.464 -8.402 1.00 21.14 H new ATOM 0 HD11 LEU A 75 12.735 5.856 -10.400 1.00 62.22 H new ATOM 0 HD12 LEU A 75 13.105 6.740 -8.901 1.00 62.22 H new ATOM 0 HD13 LEU A 75 14.427 6.104 -9.908 1.00 62.22 H new ATOM 0 HD21 LEU A 75 13.058 3.415 -10.523 1.00 34.12 H new ATOM 0 HD22 LEU A 75 14.763 3.564 -10.034 1.00 34.12 H new ATOM 0 HD23 LEU A 75 13.661 2.513 -9.112 1.00 34.12 H new ATOM 1178 N ARG A 76 14.258 1.585 -6.364 1.00 30.33 N ATOM 1179 CA ARG A 76 13.947 0.187 -6.633 1.00 31.13 C ATOM 1180 C ARG A 76 13.103 -0.408 -5.510 1.00 71.30 C ATOM 1181 O ARG A 76 12.303 -1.317 -5.735 1.00 42.21 O ATOM 1182 CB ARG A 76 15.235 -0.621 -6.801 1.00 32.52 C ATOM 1183 CG ARG A 76 15.544 -0.982 -8.245 1.00 30.31 C ATOM 1184 CD ARG A 76 16.440 -2.208 -8.334 1.00 40.33 C ATOM 1185 NE ARG A 76 17.677 -1.930 -9.056 1.00 15.11 N ATOM 1186 CZ ARG A 76 17.747 -1.815 -10.378 1.00 52.41 C ATOM 1187 NH1 ARG A 76 16.656 -1.952 -11.117 1.00 64.31 N ATOM 1188 NH2 ARG A 76 18.911 -1.560 -10.963 1.00 10.10 N ATOM 0 H ARG A 76 15.182 1.741 -5.961 1.00 30.33 H new ATOM 0 HA ARG A 76 13.374 0.140 -7.559 1.00 31.13 H new ATOM 0 HB2 ARG A 76 16.068 -0.050 -6.392 1.00 32.52 H new ATOM 0 HB3 ARG A 76 15.158 -1.537 -6.215 1.00 32.52 H new ATOM 0 HG2 ARG A 76 14.614 -1.170 -8.781 1.00 30.31 H new ATOM 0 HG3 ARG A 76 16.030 -0.139 -8.736 1.00 30.31 H new ATOM 0 HD2 ARG A 76 16.677 -2.557 -7.329 1.00 40.33 H new ATOM 0 HD3 ARG A 76 15.902 -3.014 -8.833 1.00 40.33 H new ATOM 0 HE ARG A 76 18.535 -1.818 -8.516 1.00 15.11 H new ATOM 0 HH11 ARG A 76 15.759 -2.146 -10.671 1.00 64.31 H new ATOM 0 HH12 ARG A 76 16.713 -1.863 -12.132 1.00 64.31 H new ATOM 0 HH21 ARG A 76 19.753 -1.452 -10.398 1.00 10.10 H new ATOM 0 HH22 ARG A 76 18.963 -1.472 -11.978 1.00 10.10 H new ATOM 1202 N SER A 77 13.288 0.110 -4.300 1.00 75.14 N ATOM 1203 CA SER A 77 12.548 -0.373 -3.140 1.00 33.11 C ATOM 1204 C SER A 77 11.064 -0.042 -3.267 1.00 13.10 C ATOM 1205 O SER A 77 10.207 -0.794 -2.802 1.00 4.35 O ATOM 1206 CB SER A 77 13.112 0.241 -1.857 1.00 63.22 C ATOM 1207 OG SER A 77 14.280 -0.441 -1.435 1.00 70.41 O ATOM 0 H SER A 77 13.944 0.864 -4.097 1.00 75.14 H new ATOM 0 HA SER A 77 12.658 -1.456 -3.094 1.00 33.11 H new ATOM 0 HB2 SER A 77 13.342 1.293 -2.025 1.00 63.22 H new ATOM 0 HB3 SER A 77 12.359 0.201 -1.070 1.00 63.22 H new ATOM 0 HG SER A 77 15.063 -0.054 -1.879 1.00 70.41 H new ATOM 1213 N LEU A 78 10.769 1.088 -3.899 1.00 45.11 N ATOM 1214 CA LEU A 78 9.389 1.522 -4.087 1.00 23.42 C ATOM 1215 C LEU A 78 8.689 0.666 -5.139 1.00 12.44 C ATOM 1216 O LEU A 78 7.652 0.059 -4.871 1.00 11.21 O ATOM 1217 CB LEU A 78 9.347 2.993 -4.501 1.00 52.42 C ATOM 1218 CG LEU A 78 8.870 3.977 -3.432 1.00 50.02 C ATOM 1219 CD1 LEU A 78 7.528 3.541 -2.865 1.00 12.41 C ATOM 1220 CD2 LEU A 78 9.904 4.102 -2.322 1.00 22.40 C ATOM 0 H LEU A 78 11.467 1.721 -4.290 1.00 45.11 H new ATOM 0 HA LEU A 78 8.864 1.404 -3.139 1.00 23.42 H new ATOM 0 HB2 LEU A 78 10.347 3.289 -4.819 1.00 52.42 H new ATOM 0 HB3 LEU A 78 8.695 3.087 -5.370 1.00 52.42 H new ATOM 0 HG LEU A 78 8.745 4.955 -3.897 1.00 50.02 H new ATOM 0 HD11 LEU A 78 7.205 4.253 -2.106 1.00 12.41 H new ATOM 0 HD12 LEU A 78 6.789 3.504 -3.666 1.00 12.41 H new ATOM 0 HD13 LEU A 78 7.626 2.553 -2.416 1.00 12.41 H new ATOM 0 HD21 LEU A 78 9.548 4.806 -1.570 1.00 22.40 H new ATOM 0 HD22 LEU A 78 10.062 3.127 -1.860 1.00 22.40 H new ATOM 0 HD23 LEU A 78 10.844 4.462 -2.740 1.00 22.40 H new ATOM 1232 N TYR A 79 9.264 0.622 -6.336 1.00 0.51 N ATOM 1233 CA TYR A 79 8.695 -0.158 -7.429 1.00 52.20 C ATOM 1234 C TYR A 79 8.190 -1.508 -6.929 1.00 52.24 C ATOM 1235 O TYR A 79 7.092 -1.939 -7.275 1.00 32.35 O ATOM 1236 CB TYR A 79 9.736 -0.366 -8.530 1.00 72.14 C ATOM 1237 CG TYR A 79 9.134 -0.609 -9.895 1.00 25.24 C ATOM 1238 CD1 TYR A 79 8.492 -1.806 -10.191 1.00 72.13 C ATOM 1239 CD2 TYR A 79 9.204 0.358 -10.890 1.00 42.55 C ATOM 1240 CE1 TYR A 79 7.941 -2.033 -11.436 1.00 2.43 C ATOM 1241 CE2 TYR A 79 8.653 0.141 -12.138 1.00 62.02 C ATOM 1242 CZ TYR A 79 8.023 -1.056 -12.407 1.00 74.22 C ATOM 1243 OH TYR A 79 7.474 -1.277 -13.649 1.00 72.45 O ATOM 0 H TYR A 79 10.123 1.117 -6.574 1.00 0.51 H new ATOM 0 HA TYR A 79 7.850 0.397 -7.837 1.00 52.20 H new ATOM 0 HB2 TYR A 79 10.382 0.511 -8.578 1.00 72.14 H new ATOM 0 HB3 TYR A 79 10.368 -1.213 -8.265 1.00 72.14 H new ATOM 0 HD1 TYR A 79 8.423 -2.572 -9.433 1.00 72.13 H new ATOM 0 HD2 TYR A 79 9.698 1.296 -10.684 1.00 42.55 H new ATOM 0 HE1 TYR A 79 7.448 -2.970 -11.649 1.00 2.43 H new ATOM 0 HE2 TYR A 79 8.715 0.905 -12.899 1.00 62.02 H new ATOM 0 HH TYR A 79 6.786 -0.602 -13.828 1.00 72.45 H new ATOM 1253 N ASN A 80 9.002 -2.170 -6.110 1.00 34.04 N ATOM 1254 CA ASN A 80 8.640 -3.472 -5.561 1.00 4.25 C ATOM 1255 C ASN A 80 7.284 -3.409 -4.865 1.00 73.00 C ATOM 1256 O ASN A 80 6.316 -4.028 -5.307 1.00 31.30 O ATOM 1257 CB ASN A 80 9.709 -3.949 -4.577 1.00 33.53 C ATOM 1258 CG ASN A 80 10.874 -4.626 -5.275 1.00 40.14 C ATOM 1259 OD1 ASN A 80 11.314 -5.702 -4.869 1.00 21.54 O ATOM 1260 ND2 ASN A 80 11.380 -3.996 -6.328 1.00 53.21 N ATOM 0 H ASN A 80 9.915 -1.826 -5.812 1.00 34.04 H new ATOM 0 HA ASN A 80 8.573 -4.181 -6.386 1.00 4.25 H new ATOM 0 HB2 ASN A 80 10.077 -3.098 -4.003 1.00 33.53 H new ATOM 0 HB3 ASN A 80 9.261 -4.643 -3.866 1.00 33.53 H new ATOM 0 HD21 ASN A 80 12.166 -4.402 -6.836 1.00 53.21 H new ATOM 0 HD22 ASN A 80 10.983 -3.106 -6.629 1.00 53.21 H new ATOM 1267 N THR A 81 7.220 -2.656 -3.771 1.00 13.33 N ATOM 1268 CA THR A 81 5.985 -2.512 -3.012 1.00 0.03 C ATOM 1269 C THR A 81 4.859 -1.979 -3.891 1.00 40.35 C ATOM 1270 O THR A 81 3.802 -2.601 -4.007 1.00 42.31 O ATOM 1271 CB THR A 81 6.171 -1.569 -1.808 1.00 22.24 C ATOM 1272 OG1 THR A 81 7.255 -2.026 -0.991 1.00 62.32 O ATOM 1273 CG2 THR A 81 4.899 -1.496 -0.977 1.00 52.51 C ATOM 0 H THR A 81 8.011 -2.136 -3.391 1.00 13.33 H new ATOM 0 HA THR A 81 5.720 -3.505 -2.648 1.00 0.03 H new ATOM 0 HB THR A 81 6.397 -0.572 -2.186 1.00 22.24 H new ATOM 0 HG1 THR A 81 7.368 -1.421 -0.229 1.00 62.32 H new ATOM 0 HG21 THR A 81 5.054 -0.824 -0.133 1.00 52.51 H new ATOM 0 HG22 THR A 81 4.082 -1.121 -1.594 1.00 52.51 H new ATOM 0 HG23 THR A 81 4.648 -2.490 -0.608 1.00 52.51 H new ATOM 1281 N ILE A 82 5.092 -0.826 -4.509 1.00 70.41 N ATOM 1282 CA ILE A 82 4.097 -0.212 -5.379 1.00 53.53 C ATOM 1283 C ILE A 82 3.408 -1.256 -6.249 1.00 43.32 C ATOM 1284 O ILE A 82 2.188 -1.237 -6.410 1.00 62.44 O ATOM 1285 CB ILE A 82 4.729 0.861 -6.285 1.00 1.34 C ATOM 1286 CG1 ILE A 82 5.344 1.978 -5.440 1.00 61.21 C ATOM 1287 CG2 ILE A 82 3.688 1.426 -7.242 1.00 75.23 C ATOM 1288 CD1 ILE A 82 6.270 2.886 -6.219 1.00 11.13 C ATOM 0 H ILE A 82 5.961 -0.299 -4.423 1.00 70.41 H new ATOM 0 HA ILE A 82 3.359 0.260 -4.731 1.00 53.53 H new ATOM 0 HB ILE A 82 5.522 0.397 -6.872 1.00 1.34 H new ATOM 0 HG12 ILE A 82 4.543 2.576 -5.005 1.00 61.21 H new ATOM 0 HG13 ILE A 82 5.896 1.534 -4.612 1.00 61.21 H new ATOM 0 HG21 ILE A 82 4.149 2.183 -7.876 1.00 75.23 H new ATOM 0 HG22 ILE A 82 3.293 0.623 -7.865 1.00 75.23 H new ATOM 0 HG23 ILE A 82 2.876 1.876 -6.671 1.00 75.23 H new ATOM 0 HD11 ILE A 82 6.669 3.654 -5.556 1.00 11.13 H new ATOM 0 HD12 ILE A 82 7.091 2.300 -6.632 1.00 11.13 H new ATOM 0 HD13 ILE A 82 5.718 3.359 -7.031 1.00 11.13 H new ATOM 1300 N ALA A 83 4.197 -2.167 -6.808 1.00 64.12 N ATOM 1301 CA ALA A 83 3.662 -3.222 -7.659 1.00 63.55 C ATOM 1302 C ALA A 83 2.522 -3.963 -6.966 1.00 14.31 C ATOM 1303 O ALA A 83 1.436 -4.112 -7.525 1.00 50.15 O ATOM 1304 CB ALA A 83 4.765 -4.196 -8.049 1.00 4.41 C ATOM 0 H ALA A 83 5.209 -2.196 -6.687 1.00 64.12 H new ATOM 0 HA ALA A 83 3.264 -2.759 -8.562 1.00 63.55 H new ATOM 0 HB1 ALA A 83 4.351 -4.979 -8.685 1.00 4.41 H new ATOM 0 HB2 ALA A 83 5.546 -3.663 -8.591 1.00 4.41 H new ATOM 0 HB3 ALA A 83 5.189 -4.644 -7.150 1.00 4.41 H new ATOM 1310 N VAL A 84 2.778 -4.424 -5.746 1.00 2.11 N ATOM 1311 CA VAL A 84 1.774 -5.148 -4.977 1.00 63.01 C ATOM 1312 C VAL A 84 0.487 -4.340 -4.855 1.00 45.51 C ATOM 1313 O VAL A 84 -0.607 -4.851 -5.098 1.00 63.51 O ATOM 1314 CB VAL A 84 2.286 -5.490 -3.565 1.00 31.51 C ATOM 1315 CG1 VAL A 84 1.215 -6.221 -2.770 1.00 14.25 C ATOM 1316 CG2 VAL A 84 3.559 -6.320 -3.648 1.00 34.23 C ATOM 0 H VAL A 84 3.672 -4.309 -5.269 1.00 2.11 H new ATOM 0 HA VAL A 84 1.570 -6.073 -5.516 1.00 63.01 H new ATOM 0 HB VAL A 84 2.518 -4.560 -3.046 1.00 31.51 H new ATOM 0 HG11 VAL A 84 1.596 -6.454 -1.776 1.00 14.25 H new ATOM 0 HG12 VAL A 84 0.332 -5.588 -2.682 1.00 14.25 H new ATOM 0 HG13 VAL A 84 0.949 -7.146 -3.282 1.00 14.25 H new ATOM 0 HG21 VAL A 84 3.908 -6.553 -2.642 1.00 34.23 H new ATOM 0 HG22 VAL A 84 3.355 -7.246 -4.185 1.00 34.23 H new ATOM 0 HG23 VAL A 84 4.327 -5.756 -4.177 1.00 34.23 H new ATOM 1326 N LEU A 85 0.624 -3.073 -4.478 1.00 42.12 N ATOM 1327 CA LEU A 85 -0.528 -2.191 -4.325 1.00 41.13 C ATOM 1328 C LEU A 85 -1.422 -2.243 -5.559 1.00 0.24 C ATOM 1329 O LEU A 85 -2.613 -1.941 -5.489 1.00 2.23 O ATOM 1330 CB LEU A 85 -0.066 -0.754 -4.075 1.00 10.15 C ATOM 1331 CG LEU A 85 -1.171 0.271 -3.818 1.00 21.02 C ATOM 1332 CD1 LEU A 85 -2.047 -0.168 -2.656 1.00 43.42 C ATOM 1333 CD2 LEU A 85 -0.573 1.644 -3.550 1.00 42.43 C ATOM 0 H LEU A 85 1.521 -2.634 -4.273 1.00 42.12 H new ATOM 0 HA LEU A 85 -1.106 -2.535 -3.467 1.00 41.13 H new ATOM 0 HB2 LEU A 85 0.608 -0.754 -3.219 1.00 10.15 H new ATOM 0 HB3 LEU A 85 0.514 -0.425 -4.937 1.00 10.15 H new ATOM 0 HG LEU A 85 -1.794 0.337 -4.710 1.00 21.02 H new ATOM 0 HD11 LEU A 85 -2.828 0.574 -2.488 1.00 43.42 H new ATOM 0 HD12 LEU A 85 -2.504 -1.130 -2.888 1.00 43.42 H new ATOM 0 HD13 LEU A 85 -1.438 -0.264 -1.757 1.00 43.42 H new ATOM 0 HD21 LEU A 85 -1.374 2.361 -3.369 1.00 42.43 H new ATOM 0 HD22 LEU A 85 0.074 1.594 -2.674 1.00 42.43 H new ATOM 0 HD23 LEU A 85 0.010 1.962 -4.414 1.00 42.43 H new ATOM 1345 N TYR A 86 -0.840 -2.630 -6.689 1.00 64.42 N ATOM 1346 CA TYR A 86 -1.584 -2.722 -7.940 1.00 40.52 C ATOM 1347 C TYR A 86 -2.367 -4.029 -8.013 1.00 63.40 C ATOM 1348 O TYR A 86 -3.557 -4.036 -8.332 1.00 60.32 O ATOM 1349 CB TYR A 86 -0.631 -2.617 -9.132 1.00 43.01 C ATOM 1350 CG TYR A 86 -1.330 -2.677 -10.472 1.00 74.22 C ATOM 1351 CD1 TYR A 86 -1.997 -1.570 -10.980 1.00 23.10 C ATOM 1352 CD2 TYR A 86 -1.321 -3.842 -11.229 1.00 25.34 C ATOM 1353 CE1 TYR A 86 -2.637 -1.621 -12.203 1.00 11.34 C ATOM 1354 CE2 TYR A 86 -1.958 -3.902 -12.454 1.00 52.00 C ATOM 1355 CZ TYR A 86 -2.615 -2.789 -12.936 1.00 33.24 C ATOM 1356 OH TYR A 86 -3.250 -2.843 -14.156 1.00 60.43 O ATOM 0 H TYR A 86 0.145 -2.885 -6.764 1.00 64.42 H new ATOM 0 HA TYR A 86 -2.292 -1.894 -7.975 1.00 40.52 H new ATOM 0 HB2 TYR A 86 -0.077 -1.681 -9.062 1.00 43.01 H new ATOM 0 HB3 TYR A 86 0.099 -3.425 -9.076 1.00 43.01 H new ATOM 0 HD1 TYR A 86 -2.016 -0.653 -10.409 1.00 23.10 H new ATOM 0 HD2 TYR A 86 -0.808 -4.715 -10.854 1.00 25.34 H new ATOM 0 HE1 TYR A 86 -3.152 -0.751 -12.583 1.00 11.34 H new ATOM 0 HE2 TYR A 86 -1.941 -4.815 -13.031 1.00 52.00 H new ATOM 0 HH TYR A 86 -4.017 -3.450 -14.099 1.00 60.43 H new ATOM 1366 N CYS A 87 -1.691 -5.133 -7.715 1.00 3.15 N ATOM 1367 CA CYS A 87 -2.322 -6.448 -7.748 1.00 64.53 C ATOM 1368 C CYS A 87 -3.398 -6.561 -6.672 1.00 63.51 C ATOM 1369 O CYS A 87 -4.264 -7.433 -6.735 1.00 62.20 O ATOM 1370 CB CYS A 87 -1.274 -7.545 -7.555 1.00 5.44 C ATOM 1371 SG CYS A 87 -0.677 -7.705 -5.856 1.00 61.34 S ATOM 0 H CYS A 87 -0.707 -5.144 -7.448 1.00 3.15 H new ATOM 0 HA CYS A 87 -2.793 -6.574 -8.723 1.00 64.53 H new ATOM 0 HB2 CYS A 87 -1.699 -8.498 -7.871 1.00 5.44 H new ATOM 0 HB3 CYS A 87 -0.426 -7.342 -8.209 1.00 5.44 H new ATOM 0 HG CYS A 87 -0.610 -6.529 -5.307 1.00 61.34 H new ATOM 1377 N VAL A 88 -3.335 -5.674 -5.684 1.00 22.23 N ATOM 1378 CA VAL A 88 -4.303 -5.674 -4.594 1.00 2.32 C ATOM 1379 C VAL A 88 -5.630 -5.067 -5.037 1.00 3.14 C ATOM 1380 O VAL A 88 -6.698 -5.487 -4.590 1.00 54.24 O ATOM 1381 CB VAL A 88 -3.776 -4.894 -3.376 1.00 61.44 C ATOM 1382 CG1 VAL A 88 -4.924 -4.486 -2.465 1.00 2.42 C ATOM 1383 CG2 VAL A 88 -2.752 -5.724 -2.615 1.00 13.44 C ATOM 0 H VAL A 88 -2.624 -4.946 -5.616 1.00 22.23 H new ATOM 0 HA VAL A 88 -4.460 -6.715 -4.310 1.00 2.32 H new ATOM 0 HB VAL A 88 -3.286 -3.988 -3.732 1.00 61.44 H new ATOM 0 HG11 VAL A 88 -4.532 -3.936 -1.610 1.00 2.42 H new ATOM 0 HG12 VAL A 88 -5.619 -3.852 -3.017 1.00 2.42 H new ATOM 0 HG13 VAL A 88 -5.445 -5.377 -2.115 1.00 2.42 H new ATOM 0 HG21 VAL A 88 -2.390 -5.158 -1.757 1.00 13.44 H new ATOM 0 HG22 VAL A 88 -3.216 -6.648 -2.270 1.00 13.44 H new ATOM 0 HG23 VAL A 88 -1.916 -5.962 -3.272 1.00 13.44 H new ATOM 1393 N HIS A 89 -5.556 -4.076 -5.920 1.00 33.34 N ATOM 1394 CA HIS A 89 -6.751 -3.410 -6.427 1.00 62.12 C ATOM 1395 C HIS A 89 -7.316 -4.153 -7.634 1.00 30.33 C ATOM 1396 O HIS A 89 -8.541 -4.238 -7.724 1.00 55.42 O ATOM 1397 CB HIS A 89 -6.434 -1.964 -6.806 1.00 15.04 C ATOM 1398 CG HIS A 89 -5.951 -1.135 -5.655 1.00 23.25 C ATOM 1399 ND1 HIS A 89 -6.471 -1.238 -4.383 1.00 33.23 N ATOM 1400 CD2 HIS A 89 -4.989 -0.184 -5.592 1.00 64.43 C ATOM 1401 CE1 HIS A 89 -5.850 -0.387 -3.586 1.00 61.40 C ATOM 1402 NE2 HIS A 89 -4.945 0.264 -4.295 1.00 23.23 N ATOM 0 H HIS A 89 -4.680 -3.716 -6.300 1.00 33.34 H new ATOM 0 HA HIS A 89 -7.501 -3.413 -5.636 1.00 62.12 H new ATOM 0 HB2 HIS A 89 -5.676 -1.960 -7.589 1.00 15.04 H new ATOM 0 HB3 HIS A 89 -7.328 -1.503 -7.225 1.00 15.04 H new ATOM 0 HD2 HIS A 89 -4.372 0.158 -6.409 1.00 64.43 H new ATOM 0 HE1 HIS A 89 -6.048 -0.247 -2.534 1.00 61.40 H new ATOM 0 HE2 HIS A 89 -4.316 0.983 -3.937 1.00 23.23 H new ATOM 1411 N GLN A 90 -6.487 -4.675 -8.532 1.00 33.21 N ATOM 1412 CA GLN A 90 -6.980 -5.393 -9.702 1.00 41.40 C ATOM 1413 C GLN A 90 -7.260 -6.853 -9.366 1.00 32.31 C ATOM 1414 O GLN A 90 -7.539 -7.662 -10.252 1.00 52.22 O ATOM 1415 CB GLN A 90 -5.968 -5.304 -10.845 1.00 70.11 C ATOM 1416 CG GLN A 90 -6.287 -4.215 -11.856 1.00 14.22 C ATOM 1417 CD GLN A 90 -6.516 -4.763 -13.251 1.00 73.40 C ATOM 1418 OE1 GLN A 90 -5.664 -4.631 -14.130 1.00 10.24 O ATOM 1419 NE2 GLN A 90 -7.671 -5.384 -13.461 1.00 1.35 N ATOM 0 H GLN A 90 -5.471 -4.614 -8.472 1.00 33.21 H new ATOM 0 HA GLN A 90 -7.914 -4.927 -10.017 1.00 41.40 H new ATOM 0 HB2 GLN A 90 -4.977 -5.123 -10.429 1.00 70.11 H new ATOM 0 HB3 GLN A 90 -5.927 -6.264 -11.359 1.00 70.11 H new ATOM 0 HG2 GLN A 90 -7.176 -3.673 -11.532 1.00 14.22 H new ATOM 0 HG3 GLN A 90 -5.467 -3.497 -11.882 1.00 14.22 H new ATOM 0 HE21 GLN A 90 -8.349 -5.471 -12.704 1.00 1.35 H new ATOM 0 HE22 GLN A 90 -7.880 -5.774 -14.380 1.00 1.35 H new ATOM 1428 N ARG A 91 -7.182 -7.186 -8.081 1.00 25.24 N ATOM 1429 CA ARG A 91 -7.425 -8.550 -7.630 1.00 61.40 C ATOM 1430 C ARG A 91 -6.526 -9.537 -8.369 1.00 11.30 C ATOM 1431 O ARG A 91 -6.949 -10.640 -8.712 1.00 32.44 O ATOM 1432 CB ARG A 91 -8.893 -8.926 -7.840 1.00 20.25 C ATOM 1433 CG ARG A 91 -9.335 -10.135 -7.031 1.00 14.12 C ATOM 1434 CD ARG A 91 -10.575 -10.780 -7.627 1.00 64.51 C ATOM 1435 NE ARG A 91 -11.752 -10.588 -6.783 1.00 40.20 N ATOM 1436 CZ ARG A 91 -12.892 -11.250 -6.948 1.00 71.33 C ATOM 1437 NH1 ARG A 91 -13.007 -12.144 -7.920 1.00 61.33 N ATOM 1438 NH2 ARG A 91 -13.918 -11.020 -6.139 1.00 75.11 N ATOM 0 H ARG A 91 -6.952 -6.529 -7.335 1.00 25.24 H new ATOM 0 HA ARG A 91 -7.192 -8.600 -6.566 1.00 61.40 H new ATOM 0 HB2 ARG A 91 -9.519 -8.074 -7.575 1.00 20.25 H new ATOM 0 HB3 ARG A 91 -9.060 -9.127 -8.898 1.00 20.25 H new ATOM 0 HG2 ARG A 91 -8.526 -10.865 -6.994 1.00 14.12 H new ATOM 0 HG3 ARG A 91 -9.539 -9.832 -6.004 1.00 14.12 H new ATOM 0 HD2 ARG A 91 -10.764 -10.358 -8.614 1.00 64.51 H new ATOM 0 HD3 ARG A 91 -10.398 -11.847 -7.765 1.00 64.51 H new ATOM 0 HE ARG A 91 -11.695 -9.908 -6.025 1.00 40.20 H new ATOM 0 HH11 ARG A 91 -12.220 -12.325 -8.543 1.00 61.33 H new ATOM 0 HH12 ARG A 91 -13.883 -12.651 -8.045 1.00 61.33 H new ATOM 0 HH21 ARG A 91 -13.832 -10.334 -5.389 1.00 75.11 H new ATOM 0 HH22 ARG A 91 -14.793 -11.529 -6.267 1.00 75.11 H new ATOM 1452 N ILE A 92 -5.284 -9.130 -8.610 1.00 13.13 N ATOM 1453 CA ILE A 92 -4.325 -9.978 -9.307 1.00 33.32 C ATOM 1454 C ILE A 92 -3.579 -10.882 -8.332 1.00 41.21 C ATOM 1455 O ILE A 92 -2.792 -10.410 -7.511 1.00 64.35 O ATOM 1456 CB ILE A 92 -3.303 -9.140 -10.098 1.00 42.43 C ATOM 1457 CG1 ILE A 92 -4.018 -8.250 -11.116 1.00 64.34 C ATOM 1458 CG2 ILE A 92 -2.299 -10.047 -10.793 1.00 52.50 C ATOM 1459 CD1 ILE A 92 -3.126 -7.193 -11.728 1.00 54.32 C ATOM 0 H ILE A 92 -4.919 -8.219 -8.333 1.00 13.13 H new ATOM 0 HA ILE A 92 -4.896 -10.592 -10.004 1.00 33.32 H new ATOM 0 HB ILE A 92 -2.763 -8.500 -9.400 1.00 42.43 H new ATOM 0 HG12 ILE A 92 -4.424 -8.875 -11.911 1.00 64.34 H new ATOM 0 HG13 ILE A 92 -4.863 -7.763 -10.630 1.00 64.34 H new ATOM 0 HG21 ILE A 92 -1.583 -9.440 -11.348 1.00 52.50 H new ATOM 0 HG22 ILE A 92 -1.770 -10.642 -10.049 1.00 52.50 H new ATOM 0 HG23 ILE A 92 -2.823 -10.710 -11.481 1.00 52.50 H new ATOM 0 HD11 ILE A 92 -3.700 -6.600 -12.440 1.00 54.32 H new ATOM 0 HD12 ILE A 92 -2.740 -6.543 -10.942 1.00 54.32 H new ATOM 0 HD13 ILE A 92 -2.294 -7.673 -12.243 1.00 54.32 H new ATOM 1471 N ASP A 93 -3.829 -12.183 -8.430 1.00 5.33 N ATOM 1472 CA ASP A 93 -3.179 -13.154 -7.559 1.00 73.44 C ATOM 1473 C ASP A 93 -1.669 -12.937 -7.535 1.00 74.43 C ATOM 1474 O ASP A 93 -1.057 -12.642 -8.561 1.00 21.33 O ATOM 1475 CB ASP A 93 -3.495 -14.578 -8.020 1.00 2.22 C ATOM 1476 CG ASP A 93 -4.589 -15.225 -7.194 1.00 32.11 C ATOM 1477 OD1 ASP A 93 -5.632 -14.574 -6.975 1.00 33.53 O ATOM 1478 OD2 ASP A 93 -4.402 -16.383 -6.765 1.00 0.25 O ATOM 0 H ASP A 93 -4.478 -12.589 -9.104 1.00 5.33 H new ATOM 0 HA ASP A 93 -3.564 -13.014 -6.549 1.00 73.44 H new ATOM 0 HB2 ASP A 93 -3.798 -14.559 -9.067 1.00 2.22 H new ATOM 0 HB3 ASP A 93 -2.592 -15.185 -7.960 1.00 2.22 H new ATOM 1483 N VAL A 94 -1.074 -13.086 -6.355 1.00 14.31 N ATOM 1484 CA VAL A 94 0.365 -12.905 -6.197 1.00 22.40 C ATOM 1485 C VAL A 94 0.888 -13.697 -5.003 1.00 72.02 C ATOM 1486 O VAL A 94 0.267 -13.725 -3.941 1.00 21.35 O ATOM 1487 CB VAL A 94 0.728 -11.420 -6.014 1.00 53.11 C ATOM 1488 CG1 VAL A 94 0.452 -10.642 -7.291 1.00 13.21 C ATOM 1489 CG2 VAL A 94 -0.037 -10.825 -4.841 1.00 23.11 C ATOM 0 H VAL A 94 -1.565 -13.331 -5.496 1.00 14.31 H new ATOM 0 HA VAL A 94 0.834 -13.274 -7.109 1.00 22.40 H new ATOM 0 HB VAL A 94 1.794 -11.348 -5.797 1.00 53.11 H new ATOM 0 HG11 VAL A 94 0.715 -9.595 -7.143 1.00 13.21 H new ATOM 0 HG12 VAL A 94 1.049 -11.054 -8.104 1.00 13.21 H new ATOM 0 HG13 VAL A 94 -0.606 -10.719 -7.542 1.00 13.21 H new ATOM 0 HG21 VAL A 94 0.232 -9.775 -4.726 1.00 23.11 H new ATOM 0 HG22 VAL A 94 -1.108 -10.907 -5.026 1.00 23.11 H new ATOM 0 HG23 VAL A 94 0.216 -11.366 -3.929 1.00 23.11 H new ATOM 1499 N LYS A 95 2.038 -14.338 -5.185 1.00 54.05 N ATOM 1500 CA LYS A 95 2.649 -15.129 -4.122 1.00 34.34 C ATOM 1501 C LYS A 95 3.882 -14.426 -3.562 1.00 64.21 C ATOM 1502 O LYS A 95 4.447 -14.854 -2.555 1.00 33.54 O ATOM 1503 CB LYS A 95 3.034 -16.514 -4.647 1.00 70.00 C ATOM 1504 CG LYS A 95 1.865 -17.290 -5.230 1.00 72.05 C ATOM 1505 CD LYS A 95 1.036 -17.949 -4.140 1.00 23.01 C ATOM 1506 CE LYS A 95 -0.081 -18.798 -4.728 1.00 63.43 C ATOM 1507 NZ LYS A 95 -1.307 -18.765 -3.883 1.00 70.24 N ATOM 0 H LYS A 95 2.566 -14.325 -6.058 1.00 54.05 H new ATOM 0 HA LYS A 95 1.919 -15.240 -3.320 1.00 34.34 H new ATOM 0 HB2 LYS A 95 3.803 -16.403 -5.412 1.00 70.00 H new ATOM 0 HB3 LYS A 95 3.474 -17.092 -3.834 1.00 70.00 H new ATOM 0 HG2 LYS A 95 1.235 -16.618 -5.812 1.00 72.05 H new ATOM 0 HG3 LYS A 95 2.238 -18.051 -5.916 1.00 72.05 H new ATOM 0 HD2 LYS A 95 1.679 -18.572 -3.518 1.00 23.01 H new ATOM 0 HD3 LYS A 95 0.610 -17.183 -3.492 1.00 23.01 H new ATOM 0 HE2 LYS A 95 -0.320 -18.440 -5.729 1.00 63.43 H new ATOM 0 HE3 LYS A 95 0.261 -19.828 -4.831 1.00 63.43 H new ATOM 0 HZ1 LYS A 95 -2.044 -19.356 -4.318 1.00 70.24 H new ATOM 0 HZ2 LYS A 95 -1.085 -19.130 -2.935 1.00 70.24 H new ATOM 0 HZ3 LYS A 95 -1.649 -17.786 -3.805 1.00 70.24 H new ATOM 1521 N ASP A 96 4.290 -13.345 -4.217 1.00 71.33 N ATOM 1522 CA ASP A 96 5.453 -12.581 -3.781 1.00 31.42 C ATOM 1523 C ASP A 96 5.642 -11.338 -4.644 1.00 3.30 C ATOM 1524 O ASP A 96 4.974 -11.171 -5.665 1.00 2.45 O ATOM 1525 CB ASP A 96 6.711 -13.451 -3.837 1.00 62.31 C ATOM 1526 CG ASP A 96 6.717 -14.382 -5.033 1.00 31.34 C ATOM 1527 OD1 ASP A 96 6.843 -13.885 -6.172 1.00 63.41 O ATOM 1528 OD2 ASP A 96 6.599 -15.609 -4.830 1.00 64.21 O ATOM 0 H ASP A 96 3.833 -12.978 -5.052 1.00 71.33 H new ATOM 0 HA ASP A 96 5.284 -12.264 -2.752 1.00 31.42 H new ATOM 0 HB2 ASP A 96 7.592 -12.810 -3.875 1.00 62.31 H new ATOM 0 HB3 ASP A 96 6.784 -14.039 -2.922 1.00 62.31 H new ATOM 1533 N THR A 97 6.554 -10.466 -4.227 1.00 72.12 N ATOM 1534 CA THR A 97 6.828 -9.237 -4.959 1.00 14.14 C ATOM 1535 C THR A 97 6.866 -9.489 -6.462 1.00 0.20 C ATOM 1536 O THR A 97 6.016 -8.999 -7.206 1.00 71.31 O ATOM 1537 CB THR A 97 8.165 -8.609 -4.522 1.00 13.44 C ATOM 1538 OG1 THR A 97 8.028 -8.016 -3.226 1.00 73.11 O ATOM 1539 CG2 THR A 97 8.620 -7.556 -5.522 1.00 52.54 C ATOM 0 H THR A 97 7.116 -10.589 -3.385 1.00 72.12 H new ATOM 0 HA THR A 97 6.017 -8.545 -4.729 1.00 14.14 H new ATOM 0 HB THR A 97 8.916 -9.398 -4.482 1.00 13.44 H new ATOM 0 HG1 THR A 97 8.362 -8.637 -2.545 1.00 73.11 H new ATOM 0 HG21 THR A 97 9.566 -7.126 -5.193 1.00 52.54 H new ATOM 0 HG22 THR A 97 8.752 -8.017 -6.501 1.00 52.54 H new ATOM 0 HG23 THR A 97 7.868 -6.770 -5.590 1.00 52.54 H new ATOM 1547 N LYS A 98 7.856 -10.258 -6.904 1.00 5.45 N ATOM 1548 CA LYS A 98 8.003 -10.577 -8.319 1.00 55.11 C ATOM 1549 C LYS A 98 6.675 -11.031 -8.916 1.00 61.42 C ATOM 1550 O LYS A 98 6.233 -10.507 -9.937 1.00 42.31 O ATOM 1551 CB LYS A 98 9.059 -11.669 -8.509 1.00 54.30 C ATOM 1552 CG LYS A 98 10.028 -11.388 -9.646 1.00 42.45 C ATOM 1553 CD LYS A 98 10.407 -12.661 -10.382 1.00 1.44 C ATOM 1554 CE LYS A 98 9.390 -13.005 -11.460 1.00 3.31 C ATOM 1555 NZ LYS A 98 9.677 -14.321 -12.094 1.00 64.14 N ATOM 0 H LYS A 98 8.568 -10.672 -6.302 1.00 5.45 H new ATOM 0 HA LYS A 98 8.324 -9.674 -8.838 1.00 55.11 H new ATOM 0 HB2 LYS A 98 9.622 -11.783 -7.583 1.00 54.30 H new ATOM 0 HB3 LYS A 98 8.558 -12.619 -8.696 1.00 54.30 H new ATOM 0 HG2 LYS A 98 9.576 -10.683 -10.344 1.00 42.45 H new ATOM 0 HG3 LYS A 98 10.926 -10.914 -9.251 1.00 42.45 H new ATOM 0 HD2 LYS A 98 11.392 -12.542 -10.834 1.00 1.44 H new ATOM 0 HD3 LYS A 98 10.480 -13.485 -9.672 1.00 1.44 H new ATOM 0 HE2 LYS A 98 8.391 -13.022 -11.024 1.00 3.31 H new ATOM 0 HE3 LYS A 98 9.392 -12.226 -12.223 1.00 3.31 H new ATOM 0 HZ1 LYS A 98 8.962 -14.519 -12.823 1.00 64.14 H new ATOM 0 HZ2 LYS A 98 10.620 -14.297 -12.532 1.00 64.14 H new ATOM 0 HZ3 LYS A 98 9.650 -15.068 -11.371 1.00 64.14 H new ATOM 1569 N GLU A 99 6.045 -12.008 -8.271 1.00 64.40 N ATOM 1570 CA GLU A 99 4.767 -12.531 -8.739 1.00 12.11 C ATOM 1571 C GLU A 99 3.829 -11.397 -9.140 1.00 12.44 C ATOM 1572 O GLU A 99 3.089 -11.505 -10.119 1.00 52.54 O ATOM 1573 CB GLU A 99 4.113 -13.388 -7.654 1.00 61.14 C ATOM 1574 CG GLU A 99 4.082 -14.871 -7.985 1.00 22.41 C ATOM 1575 CD GLU A 99 5.464 -15.497 -7.988 1.00 5.51 C ATOM 1576 OE1 GLU A 99 6.369 -14.932 -8.636 1.00 71.21 O ATOM 1577 OE2 GLU A 99 5.637 -16.552 -7.342 1.00 10.01 O ATOM 0 H GLU A 99 6.399 -12.453 -7.424 1.00 64.40 H new ATOM 0 HA GLU A 99 4.957 -13.150 -9.616 1.00 12.11 H new ATOM 0 HB2 GLU A 99 4.651 -13.245 -6.717 1.00 61.14 H new ATOM 0 HB3 GLU A 99 3.093 -13.039 -7.493 1.00 61.14 H new ATOM 0 HG2 GLU A 99 3.454 -15.388 -7.259 1.00 22.41 H new ATOM 0 HG3 GLU A 99 3.621 -15.012 -8.963 1.00 22.41 H new ATOM 1584 N ALA A 100 3.865 -10.309 -8.377 1.00 11.30 N ATOM 1585 CA ALA A 100 3.020 -9.154 -8.653 1.00 45.13 C ATOM 1586 C ALA A 100 3.526 -8.380 -9.866 1.00 52.14 C ATOM 1587 O ALA A 100 2.746 -7.985 -10.733 1.00 75.33 O ATOM 1588 CB ALA A 100 2.954 -8.245 -7.435 1.00 72.24 C ATOM 0 H ALA A 100 4.470 -10.204 -7.563 1.00 11.30 H new ATOM 0 HA ALA A 100 2.017 -9.515 -8.878 1.00 45.13 H new ATOM 0 HB1 ALA A 100 2.320 -7.387 -7.656 1.00 72.24 H new ATOM 0 HB2 ALA A 100 2.538 -8.796 -6.592 1.00 72.24 H new ATOM 0 HB3 ALA A 100 3.957 -7.900 -7.184 1.00 72.24 H new ATOM 1594 N LEU A 101 4.837 -8.166 -9.920 1.00 45.42 N ATOM 1595 CA LEU A 101 5.447 -7.438 -11.026 1.00 31.13 C ATOM 1596 C LEU A 101 5.162 -8.129 -12.356 1.00 20.43 C ATOM 1597 O LEU A 101 4.580 -7.536 -13.263 1.00 13.15 O ATOM 1598 CB LEU A 101 6.958 -7.320 -10.813 1.00 24.13 C ATOM 1599 CG LEU A 101 7.568 -5.944 -11.084 1.00 61.43 C ATOM 1600 CD1 LEU A 101 7.101 -5.408 -12.428 1.00 31.43 C ATOM 1601 CD2 LEU A 101 7.212 -4.973 -9.967 1.00 23.14 C ATOM 0 H LEU A 101 5.497 -8.486 -9.211 1.00 45.42 H new ATOM 0 HA LEU A 101 5.011 -6.439 -11.056 1.00 31.13 H new ATOM 0 HB2 LEU A 101 7.183 -7.599 -9.783 1.00 24.13 H new ATOM 0 HB3 LEU A 101 7.453 -8.048 -11.455 1.00 24.13 H new ATOM 0 HG LEU A 101 8.653 -6.049 -11.115 1.00 61.43 H new ATOM 0 HD11 LEU A 101 7.545 -4.428 -12.603 1.00 31.43 H new ATOM 0 HD12 LEU A 101 7.408 -6.092 -13.219 1.00 31.43 H new ATOM 0 HD13 LEU A 101 6.015 -5.319 -12.427 1.00 31.43 H new ATOM 0 HD21 LEU A 101 7.654 -3.999 -10.177 1.00 23.14 H new ATOM 0 HD22 LEU A 101 6.128 -4.873 -9.903 1.00 23.14 H new ATOM 0 HD23 LEU A 101 7.598 -5.350 -9.020 1.00 23.14 H new ATOM 1613 N ASP A 102 5.575 -9.388 -12.463 1.00 52.21 N ATOM 1614 CA ASP A 102 5.361 -10.162 -13.679 1.00 32.24 C ATOM 1615 C ASP A 102 3.901 -10.095 -14.117 1.00 13.20 C ATOM 1616 O ASP A 102 3.603 -9.926 -15.299 1.00 32.02 O ATOM 1617 CB ASP A 102 5.776 -11.618 -13.462 1.00 22.04 C ATOM 1618 CG ASP A 102 6.318 -12.259 -14.725 1.00 73.43 C ATOM 1619 OD1 ASP A 102 5.509 -12.595 -15.615 1.00 70.15 O ATOM 1620 OD2 ASP A 102 7.552 -12.428 -14.822 1.00 1.13 O ATOM 0 H ASP A 102 6.060 -9.893 -11.721 1.00 52.21 H new ATOM 0 HA ASP A 102 5.977 -9.731 -14.468 1.00 32.24 H new ATOM 0 HB2 ASP A 102 6.534 -11.664 -12.680 1.00 22.04 H new ATOM 0 HB3 ASP A 102 4.918 -12.189 -13.108 1.00 22.04 H new