USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=15 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 29 TYR OH : rot 160:sc= 0.856 USER MOD Set 1.2: A 97 THR OG1 : rot 132:sc= 1.25 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+ 142:sc= -0.346 (180deg=-1.52!) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) 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= 0.664 K(o=0.66,f=-6.4!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.191 USER MOD Single : A 54 SER OG : rot 180:sc= -0.237 USER MOD Single : A 57 CYS SG : rot 160:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.0154 K(o=-0.015,f=-0.89) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 67 SER OG : rot 81:sc= 0.935 USER MOD Single : A 69 GLN : amide:sc= -0.266 X(o=-0.27,f=-0.27) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot -91:sc= 0.0295 USER MOD Single : A 77 SER OG : rot 78:sc= 0.259 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.0175 X(o=-0.017,f=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 110:sc= -0.11 USER MOD Single : A 89 HIS : no HD1:sc= 0.621 K(o=0.62,f=-4.3!) USER MOD Single : A 90 GLN : amide:sc= -0.223 X(o=-0.22,f=-0.19) 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 -6.737 -4.946 3.302 1.00 64.43 N ATOM 139 CA LEU A 13 -5.729 -4.931 4.357 1.00 44.02 C ATOM 140 C LEU A 13 -5.268 -6.346 4.691 1.00 1.34 C ATOM 141 O LEU A 13 -4.071 -6.608 4.811 1.00 2.42 O ATOM 142 CB LEU A 13 -6.286 -4.255 5.610 1.00 42.34 C ATOM 143 CG LEU A 13 -5.252 -3.665 6.572 1.00 32.35 C ATOM 144 CD1 LEU A 13 -5.936 -2.844 7.653 1.00 32.04 C ATOM 145 CD2 LEU A 13 -4.409 -4.771 7.191 1.00 2.12 C ATOM 0 HA LEU A 13 -4.870 -4.365 3.997 1.00 44.02 H new ATOM 0 HB2 LEU A 13 -6.960 -3.457 5.299 1.00 42.34 H new ATOM 0 HB3 LEU A 13 -6.886 -4.984 6.155 1.00 42.34 H new ATOM 0 HG LEU A 13 -4.593 -3.005 6.008 1.00 32.35 H new ATOM 0 HD11 LEU A 13 -5.185 -2.433 8.327 1.00 32.04 H new ATOM 0 HD12 LEU A 13 -6.495 -2.030 7.192 1.00 32.04 H new ATOM 0 HD13 LEU A 13 -6.619 -3.480 8.216 1.00 32.04 H new ATOM 0 HD21 LEU A 13 -3.679 -4.334 7.872 1.00 2.12 H new ATOM 0 HD22 LEU A 13 -5.054 -5.456 7.741 1.00 2.12 H new ATOM 0 HD23 LEU A 13 -3.889 -5.316 6.403 1.00 2.12 H new ATOM 157 N ASP A 14 -6.225 -7.255 4.838 1.00 23.43 N ATOM 158 CA ASP A 14 -5.918 -8.645 5.154 1.00 41.32 C ATOM 159 C ASP A 14 -5.010 -9.256 4.092 1.00 23.33 C ATOM 160 O ASP A 14 -3.985 -9.861 4.409 1.00 23.13 O ATOM 161 CB ASP A 14 -7.207 -9.461 5.273 1.00 15.31 C ATOM 162 CG ASP A 14 -7.964 -9.164 6.552 1.00 1.42 C ATOM 163 OD1 ASP A 14 -7.387 -8.510 7.446 1.00 32.31 O ATOM 164 OD2 ASP A 14 -9.135 -9.583 6.657 1.00 45.45 O ATOM 0 H ASP A 14 -7.221 -7.054 4.743 1.00 23.43 H new ATOM 0 HA ASP A 14 -5.395 -8.667 6.110 1.00 41.32 H new ATOM 0 HB2 ASP A 14 -7.848 -9.249 4.417 1.00 15.31 H new ATOM 0 HB3 ASP A 14 -6.966 -10.523 5.235 1.00 15.31 H new ATOM 169 N LYS A 15 -5.393 -9.096 2.829 1.00 61.15 N ATOM 170 CA LYS A 15 -4.614 -9.631 1.720 1.00 3.45 C ATOM 171 C LYS A 15 -3.236 -8.982 1.659 1.00 15.02 C ATOM 172 O LYS A 15 -2.238 -9.648 1.384 1.00 32.53 O ATOM 173 CB LYS A 15 -5.354 -9.407 0.397 1.00 74.02 C ATOM 174 CG LYS A 15 -5.749 -10.696 -0.303 1.00 13.33 C ATOM 175 CD LYS A 15 -6.869 -11.410 0.434 1.00 71.13 C ATOM 176 CE LYS A 15 -6.969 -12.870 0.015 1.00 45.42 C ATOM 177 NZ LYS A 15 -8.383 -13.339 -0.024 1.00 0.52 N ATOM 0 H LYS A 15 -6.239 -8.600 2.549 1.00 61.15 H new ATOM 0 HA LYS A 15 -4.485 -10.701 1.882 1.00 3.45 H new ATOM 0 HB2 LYS A 15 -6.250 -8.817 0.587 1.00 74.02 H new ATOM 0 HB3 LYS A 15 -4.721 -8.820 -0.269 1.00 74.02 H new ATOM 0 HG2 LYS A 15 -6.066 -10.475 -1.322 1.00 13.33 H new ATOM 0 HG3 LYS A 15 -4.882 -11.353 -0.374 1.00 13.33 H new ATOM 0 HD2 LYS A 15 -6.696 -11.350 1.508 1.00 71.13 H new ATOM 0 HD3 LYS A 15 -7.816 -10.907 0.235 1.00 71.13 H new ATOM 0 HE2 LYS A 15 -6.516 -12.998 -0.968 1.00 45.42 H new ATOM 0 HE3 LYS A 15 -6.400 -13.487 0.710 1.00 45.42 H new ATOM 0 HZ1 LYS A 15 -8.410 -14.338 -0.313 1.00 0.52 H new ATOM 0 HZ2 LYS A 15 -8.807 -13.241 0.920 1.00 0.52 H new ATOM 0 HZ3 LYS A 15 -8.920 -12.766 -0.706 1.00 0.52 H new ATOM 191 N TRP A 16 -3.187 -7.682 1.920 1.00 51.40 N ATOM 192 CA TRP A 16 -1.929 -6.944 1.897 1.00 1.42 C ATOM 193 C TRP A 16 -0.885 -7.620 2.778 1.00 52.42 C ATOM 194 O TRP A 16 0.270 -7.770 2.382 1.00 31.01 O ATOM 195 CB TRP A 16 -2.150 -5.502 2.360 1.00 63.44 C ATOM 196 CG TRP A 16 -0.877 -4.726 2.511 1.00 44.32 C ATOM 197 CD1 TRP A 16 -0.260 -4.383 3.680 1.00 53.31 C ATOM 198 CD2 TRP A 16 -0.070 -4.192 1.456 1.00 73.25 C ATOM 199 NE1 TRP A 16 0.884 -3.669 3.415 1.00 75.02 N ATOM 200 CE2 TRP A 16 1.023 -3.539 2.059 1.00 15.12 C ATOM 201 CE3 TRP A 16 -0.162 -4.204 0.063 1.00 35.44 C ATOM 202 CZ2 TRP A 16 2.014 -2.905 1.314 1.00 1.14 C ATOM 203 CZ3 TRP A 16 0.822 -3.574 -0.676 1.00 11.32 C ATOM 204 CH2 TRP A 16 1.898 -2.932 -0.049 1.00 34.24 C ATOM 0 H TRP A 16 -4.004 -7.116 2.150 1.00 51.40 H new ATOM 0 HA TRP A 16 -1.561 -6.936 0.871 1.00 1.42 H new ATOM 0 HB2 TRP A 16 -2.795 -4.993 1.644 1.00 63.44 H new ATOM 0 HB3 TRP A 16 -2.677 -5.511 3.314 1.00 63.44 H new ATOM 0 HD1 TRP A 16 -0.618 -4.636 4.667 1.00 53.31 H new ATOM 0 HE1 TRP A 16 1.526 -3.296 4.115 1.00 75.02 H new ATOM 0 HE3 TRP A 16 -0.988 -4.697 -0.429 1.00 35.44 H new ATOM 0 HZ2 TRP A 16 2.845 -2.410 1.795 1.00 1.14 H new ATOM 0 HZ3 TRP A 16 0.760 -3.577 -1.754 1.00 11.32 H new ATOM 0 HH2 TRP A 16 2.651 -2.449 -0.654 1.00 34.24 H new ATOM 215 N GLU A 17 -1.300 -8.026 3.973 1.00 74.05 N ATOM 216 CA GLU A 17 -0.399 -8.687 4.911 1.00 35.21 C ATOM 217 C GLU A 17 -0.177 -10.144 4.518 1.00 25.42 C ATOM 218 O GLU A 17 0.746 -10.799 5.005 1.00 5.24 O ATOM 219 CB GLU A 17 -0.958 -8.609 6.333 1.00 21.55 C ATOM 220 CG GLU A 17 -0.702 -7.277 7.017 1.00 30.43 C ATOM 221 CD GLU A 17 -0.890 -7.347 8.519 1.00 61.42 C ATOM 222 OE1 GLU A 17 -2.053 -7.381 8.972 1.00 11.55 O ATOM 223 OE2 GLU A 17 0.128 -7.368 9.244 1.00 21.30 O ATOM 0 H GLU A 17 -2.254 -7.909 4.315 1.00 74.05 H new ATOM 0 HA GLU A 17 0.560 -8.170 4.878 1.00 35.21 H new ATOM 0 HB2 GLU A 17 -2.032 -8.791 6.302 1.00 21.55 H new ATOM 0 HB3 GLU A 17 -0.517 -9.406 6.932 1.00 21.55 H new ATOM 0 HG2 GLU A 17 0.314 -6.949 6.797 1.00 30.43 H new ATOM 0 HG3 GLU A 17 -1.376 -6.526 6.605 1.00 30.43 H new ATOM 230 N LYS A 18 -1.032 -10.649 3.634 1.00 14.35 N ATOM 231 CA LYS A 18 -0.931 -12.029 3.173 1.00 4.42 C ATOM 232 C LYS A 18 0.050 -12.144 2.011 1.00 74.42 C ATOM 233 O LYS A 18 0.352 -13.245 1.548 1.00 42.12 O ATOM 234 CB LYS A 18 -2.306 -12.546 2.745 1.00 3.52 C ATOM 235 CG LYS A 18 -2.332 -14.037 2.456 1.00 1.45 C ATOM 236 CD LYS A 18 -3.754 -14.571 2.409 1.00 32.32 C ATOM 237 CE LYS A 18 -3.775 -16.085 2.256 1.00 5.33 C ATOM 238 NZ LYS A 18 -5.166 -16.617 2.207 1.00 74.14 N ATOM 0 H LYS A 18 -1.803 -10.123 3.223 1.00 14.35 H new ATOM 0 HA LYS A 18 -0.561 -12.636 3.999 1.00 4.42 H new ATOM 0 HB2 LYS A 18 -3.029 -12.324 3.530 1.00 3.52 H new ATOM 0 HB3 LYS A 18 -2.627 -12.006 1.854 1.00 3.52 H new ATOM 0 HG2 LYS A 18 -1.837 -14.233 1.505 1.00 1.45 H new ATOM 0 HG3 LYS A 18 -1.768 -14.567 3.224 1.00 1.45 H new ATOM 0 HD2 LYS A 18 -4.280 -14.289 3.321 1.00 32.32 H new ATOM 0 HD3 LYS A 18 -4.289 -14.112 1.577 1.00 32.32 H new ATOM 0 HE2 LYS A 18 -3.246 -16.366 1.345 1.00 5.33 H new ATOM 0 HE3 LYS A 18 -3.240 -16.542 3.089 1.00 5.33 H new ATOM 0 HZ1 LYS A 18 -5.139 -17.651 2.102 1.00 74.14 H new ATOM 0 HZ2 LYS A 18 -5.663 -16.371 3.087 1.00 74.14 H new ATOM 0 HZ3 LYS A 18 -5.669 -16.200 1.397 1.00 74.14 H new ATOM 252 N ILE A 19 0.547 -11.003 1.545 1.00 64.12 N ATOM 253 CA ILE A 19 1.496 -10.978 0.440 1.00 34.13 C ATOM 254 C ILE A 19 2.929 -11.113 0.943 1.00 52.11 C ATOM 255 O ILE A 19 3.312 -10.488 1.932 1.00 42.34 O ATOM 256 CB ILE A 19 1.372 -9.681 -0.380 1.00 4.21 C ATOM 257 CG1 ILE A 19 -0.044 -9.543 -0.947 1.00 55.15 C ATOM 258 CG2 ILE A 19 2.401 -9.661 -1.500 1.00 1.41 C ATOM 259 CD1 ILE A 19 -0.482 -8.107 -1.134 1.00 62.43 C ATOM 0 H ILE A 19 0.308 -10.084 1.916 1.00 64.12 H new ATOM 0 HA ILE A 19 1.256 -11.827 -0.200 1.00 34.13 H new ATOM 0 HB ILE A 19 1.564 -8.833 0.278 1.00 4.21 H new ATOM 0 HG12 ILE A 19 -0.094 -10.058 -1.906 1.00 55.15 H new ATOM 0 HG13 ILE A 19 -0.745 -10.044 -0.279 1.00 55.15 H new ATOM 0 HG21 ILE A 19 2.300 -8.738 -2.070 1.00 1.41 H new ATOM 0 HG22 ILE A 19 3.403 -9.717 -1.075 1.00 1.41 H new ATOM 0 HG23 ILE A 19 2.238 -10.514 -2.159 1.00 1.41 H new ATOM 0 HD11 ILE A 19 -1.494 -8.085 -1.539 1.00 62.43 H new ATOM 0 HD12 ILE A 19 -0.464 -7.593 -0.173 1.00 62.43 H new ATOM 0 HD13 ILE A 19 0.196 -7.607 -1.825 1.00 62.43 H new ATOM 271 N ARG A 20 3.719 -11.930 0.254 1.00 3.04 N ATOM 272 CA ARG A 20 5.111 -12.147 0.630 1.00 45.43 C ATOM 273 C ARG A 20 5.996 -11.018 0.110 1.00 4.54 C ATOM 274 O ARG A 20 5.532 -10.132 -0.610 1.00 50.22 O ATOM 275 CB ARG A 20 5.605 -13.489 0.088 1.00 45.12 C ATOM 276 CG ARG A 20 4.903 -14.689 0.702 1.00 51.22 C ATOM 277 CD ARG A 20 5.894 -15.644 1.348 1.00 32.44 C ATOM 278 NE ARG A 20 5.284 -16.424 2.420 1.00 23.30 N ATOM 279 CZ ARG A 20 4.503 -17.479 2.210 1.00 2.52 C ATOM 280 NH1 ARG A 20 4.240 -17.876 0.973 1.00 62.20 N ATOM 281 NH2 ARG A 20 3.984 -18.137 3.238 1.00 72.52 N ATOM 0 H ARG A 20 3.418 -12.453 -0.568 1.00 3.04 H new ATOM 0 HA ARG A 20 5.170 -12.160 1.718 1.00 45.43 H new ATOM 0 HB2 ARG A 20 5.463 -13.509 -0.993 1.00 45.12 H new ATOM 0 HB3 ARG A 20 6.676 -13.573 0.270 1.00 45.12 H new ATOM 0 HG2 ARG A 20 4.185 -14.349 1.448 1.00 51.22 H new ATOM 0 HG3 ARG A 20 4.338 -15.215 -0.068 1.00 51.22 H new ATOM 0 HD2 ARG A 20 6.293 -16.319 0.591 1.00 32.44 H new ATOM 0 HD3 ARG A 20 6.736 -15.078 1.746 1.00 32.44 H new ATOM 0 HE ARG A 20 5.467 -16.144 3.384 1.00 23.30 H new ATOM 0 HH11 ARG A 20 4.637 -17.372 0.180 1.00 62.20 H new ATOM 0 HH12 ARG A 20 3.641 -18.686 0.814 1.00 62.20 H new ATOM 0 HH21 ARG A 20 4.184 -17.834 4.191 1.00 72.52 H new ATOM 0 HH22 ARG A 20 3.385 -18.946 3.075 1.00 72.52 H new ATOM 295 N LEU A 21 7.271 -11.056 0.479 1.00 35.11 N ATOM 296 CA LEU A 21 8.223 -10.036 0.050 1.00 21.33 C ATOM 297 C LEU A 21 9.172 -10.589 -1.007 1.00 35.42 C ATOM 298 O LEU A 21 9.466 -9.924 -2.001 1.00 71.00 O ATOM 299 CB LEU A 21 9.020 -9.519 1.248 1.00 3.11 C ATOM 300 CG LEU A 21 8.203 -9.133 2.482 1.00 71.53 C ATOM 301 CD1 LEU A 21 9.115 -8.618 3.585 1.00 43.12 C ATOM 302 CD2 LEU A 21 7.155 -8.091 2.123 1.00 20.32 C ATOM 0 H LEU A 21 7.670 -11.782 1.074 1.00 35.11 H new ATOM 0 HA LEU A 21 7.662 -9.211 -0.388 1.00 21.33 H new ATOM 0 HB2 LEU A 21 9.739 -10.285 1.538 1.00 3.11 H new ATOM 0 HB3 LEU A 21 9.593 -8.648 0.929 1.00 3.11 H new ATOM 0 HG LEU A 21 7.690 -10.022 2.848 1.00 71.53 H new ATOM 0 HD11 LEU A 21 8.517 -8.348 4.455 1.00 43.12 H new ATOM 0 HD12 LEU A 21 9.827 -9.396 3.861 1.00 43.12 H new ATOM 0 HD13 LEU A 21 9.656 -7.741 3.230 1.00 43.12 H new ATOM 0 HD21 LEU A 21 6.583 -7.828 3.013 1.00 20.32 H new ATOM 0 HD22 LEU A 21 7.647 -7.200 1.732 1.00 20.32 H new ATOM 0 HD23 LEU A 21 6.483 -8.496 1.367 1.00 20.32 H new ATOM 314 N ARG A 22 9.649 -11.810 -0.788 1.00 32.22 N ATOM 315 CA ARG A 22 10.565 -12.453 -1.723 1.00 55.34 C ATOM 316 C ARG A 22 9.876 -13.598 -2.459 1.00 11.41 C ATOM 317 O ARG A 22 8.778 -14.027 -2.102 1.00 72.01 O ATOM 318 CB ARG A 22 11.798 -12.976 -0.983 1.00 61.02 C ATOM 319 CG ARG A 22 13.030 -12.106 -1.161 1.00 55.43 C ATOM 320 CD ARG A 22 13.287 -11.245 0.066 1.00 71.35 C ATOM 321 NE ARG A 22 14.157 -11.914 1.031 1.00 5.42 N ATOM 322 CZ ARG A 22 14.386 -11.452 2.255 1.00 61.24 C ATOM 323 NH1 ARG A 22 13.814 -10.328 2.663 1.00 5.15 N ATOM 324 NH2 ARG A 22 15.189 -12.117 3.076 1.00 75.01 N ATOM 0 H ARG A 22 9.416 -12.374 0.029 1.00 32.22 H new ATOM 0 HA ARG A 22 10.878 -11.709 -2.456 1.00 55.34 H new ATOM 0 HB2 ARG A 22 11.568 -13.052 0.080 1.00 61.02 H new ATOM 0 HB3 ARG A 22 12.021 -13.984 -1.334 1.00 61.02 H new ATOM 0 HG2 ARG A 22 13.898 -12.737 -1.352 1.00 55.43 H new ATOM 0 HG3 ARG A 22 12.902 -11.467 -2.035 1.00 55.43 H new ATOM 0 HD2 ARG A 22 13.742 -10.303 -0.241 1.00 71.35 H new ATOM 0 HD3 ARG A 22 12.338 -11.000 0.542 1.00 71.35 H new ATOM 0 HE ARG A 22 14.613 -12.782 0.750 1.00 5.42 H new ATOM 0 HH11 ARG A 22 13.195 -9.814 2.036 1.00 5.15 H new ATOM 0 HH12 ARG A 22 13.993 -9.977 3.604 1.00 5.15 H new ATOM 0 HH21 ARG A 22 15.630 -12.983 2.767 1.00 75.01 H new ATOM 0 HH22 ARG A 22 15.365 -11.762 4.016 1.00 75.01 H new ATOM 338 N PRO A 23 10.533 -14.104 -3.512 1.00 20.53 N ATOM 339 CA PRO A 23 10.003 -15.206 -4.321 1.00 35.35 C ATOM 340 C PRO A 23 9.996 -16.530 -3.565 1.00 42.55 C ATOM 341 O PRO A 23 8.972 -17.208 -3.489 1.00 13.04 O ATOM 342 CB PRO A 23 10.969 -15.273 -5.507 1.00 52.02 C ATOM 343 CG PRO A 23 12.242 -14.696 -4.991 1.00 32.21 C ATOM 344 CD PRO A 23 11.845 -13.642 -3.995 1.00 31.12 C ATOM 0 HA PRO A 23 8.965 -15.037 -4.608 1.00 35.35 H new ATOM 0 HB2 PRO A 23 11.108 -16.299 -5.847 1.00 52.02 H new ATOM 0 HB3 PRO A 23 10.592 -14.704 -6.357 1.00 52.02 H new ATOM 0 HG2 PRO A 23 12.857 -15.464 -4.522 1.00 32.21 H new ATOM 0 HG3 PRO A 23 12.832 -14.266 -5.800 1.00 32.21 H new ATOM 0 HD2 PRO A 23 12.568 -13.565 -3.183 1.00 31.12 H new ATOM 0 HD3 PRO A 23 11.779 -12.657 -4.457 1.00 31.12 H new ATOM 352 N GLY A 24 11.146 -16.892 -3.005 1.00 73.13 N ATOM 353 CA GLY A 24 11.250 -18.134 -2.260 1.00 10.04 C ATOM 354 C GLY A 24 11.495 -17.906 -0.782 1.00 12.45 C ATOM 355 O GLY A 24 12.261 -18.634 -0.153 1.00 61.22 O ATOM 0 H GLY A 24 12.007 -16.348 -3.054 1.00 73.13 H new ATOM 0 HA2 GLY A 24 10.333 -18.709 -2.388 1.00 10.04 H new ATOM 0 HA3 GLY A 24 12.062 -18.734 -2.671 1.00 10.04 H new ATOM 359 N GLY A 25 10.844 -16.888 -0.226 1.00 44.00 N ATOM 360 CA GLY A 25 11.009 -16.582 1.183 1.00 54.02 C ATOM 361 C GLY A 25 9.742 -16.819 1.980 1.00 73.33 C ATOM 362 O GLY A 25 8.810 -17.464 1.502 1.00 5.32 O ATOM 0 H GLY A 25 10.205 -16.270 -0.727 1.00 44.00 H new ATOM 0 HA2 GLY A 25 11.812 -17.194 1.593 1.00 54.02 H new ATOM 0 HA3 GLY A 25 11.314 -15.541 1.292 1.00 54.02 H new ATOM 366 N LYS A 26 9.709 -16.298 3.202 1.00 50.24 N ATOM 367 CA LYS A 26 8.547 -16.455 4.070 1.00 32.41 C ATOM 368 C LYS A 26 8.126 -15.116 4.665 1.00 54.35 C ATOM 369 O LYS A 26 7.200 -15.046 5.472 1.00 63.32 O ATOM 370 CB LYS A 26 8.855 -17.450 5.192 1.00 21.34 C ATOM 371 CG LYS A 26 7.655 -18.282 5.613 1.00 53.14 C ATOM 372 CD LYS A 26 7.512 -19.527 4.755 1.00 33.11 C ATOM 373 CE LYS A 26 7.122 -20.738 5.590 1.00 15.14 C ATOM 374 NZ LYS A 26 6.438 -21.777 4.773 1.00 21.54 N ATOM 0 H LYS A 26 10.474 -15.763 3.614 1.00 50.24 H new ATOM 0 HA LYS A 26 7.724 -16.838 3.467 1.00 32.41 H new ATOM 0 HB2 LYS A 26 9.653 -18.117 4.866 1.00 21.34 H new ATOM 0 HB3 LYS A 26 9.230 -16.904 6.058 1.00 21.34 H new ATOM 0 HG2 LYS A 26 7.760 -18.570 6.659 1.00 53.14 H new ATOM 0 HG3 LYS A 26 6.749 -17.680 5.537 1.00 53.14 H new ATOM 0 HD2 LYS A 26 6.758 -19.356 3.986 1.00 33.11 H new ATOM 0 HD3 LYS A 26 8.452 -19.726 4.241 1.00 33.11 H new ATOM 0 HE2 LYS A 26 8.014 -21.165 6.049 1.00 15.14 H new ATOM 0 HE3 LYS A 26 6.466 -20.424 6.401 1.00 15.14 H new ATOM 0 HZ1 LYS A 26 6.188 -22.585 5.378 1.00 21.54 H new ATOM 0 HZ2 LYS A 26 5.574 -21.377 4.356 1.00 21.54 H new ATOM 0 HZ3 LYS A 26 7.073 -22.096 4.014 1.00 21.54 H new ATOM 388 N LYS A 27 8.813 -14.052 4.260 1.00 53.13 N ATOM 389 CA LYS A 27 8.509 -12.714 4.752 1.00 15.55 C ATOM 390 C LYS A 27 7.259 -12.157 4.078 1.00 20.43 C ATOM 391 O LYS A 27 7.055 -12.345 2.878 1.00 43.55 O ATOM 392 CB LYS A 27 9.694 -11.776 4.504 1.00 1.12 C ATOM 393 CG LYS A 27 10.998 -12.273 5.103 1.00 74.12 C ATOM 394 CD LYS A 27 11.882 -11.120 5.548 1.00 12.14 C ATOM 395 CE LYS A 27 12.900 -11.565 6.586 1.00 21.20 C ATOM 396 NZ LYS A 27 14.298 -11.341 6.125 1.00 22.22 N ATOM 0 H LYS A 27 9.583 -14.091 3.593 1.00 53.13 H new ATOM 0 HA LYS A 27 8.324 -12.782 5.824 1.00 15.55 H new ATOM 0 HB2 LYS A 27 9.824 -11.645 3.430 1.00 1.12 H new ATOM 0 HB3 LYS A 27 9.463 -10.795 4.920 1.00 1.12 H new ATOM 0 HG2 LYS A 27 10.785 -12.919 5.955 1.00 74.12 H new ATOM 0 HG3 LYS A 27 11.530 -12.878 4.369 1.00 74.12 H new ATOM 0 HD2 LYS A 27 12.400 -10.703 4.684 1.00 12.14 H new ATOM 0 HD3 LYS A 27 11.263 -10.324 5.962 1.00 12.14 H new ATOM 0 HE2 LYS A 27 12.733 -11.020 7.515 1.00 21.20 H new ATOM 0 HE3 LYS A 27 12.755 -12.623 6.806 1.00 21.20 H new ATOM 0 HZ1 LYS A 27 14.882 -11.027 6.927 1.00 22.22 H new ATOM 0 HZ2 LYS A 27 14.683 -12.228 5.742 1.00 22.22 H new ATOM 0 HZ3 LYS A 27 14.307 -10.611 5.384 1.00 22.22 H new ATOM 410 N GLN A 28 6.427 -11.473 4.856 1.00 52.32 N ATOM 411 CA GLN A 28 5.197 -10.890 4.334 1.00 20.35 C ATOM 412 C GLN A 28 5.255 -9.366 4.380 1.00 24.41 C ATOM 413 O GLN A 28 6.256 -8.786 4.798 1.00 42.45 O ATOM 414 CB GLN A 28 3.991 -11.393 5.129 1.00 53.55 C ATOM 415 CG GLN A 28 3.378 -12.665 4.567 1.00 4.55 C ATOM 416 CD GLN A 28 3.097 -13.700 5.637 1.00 20.50 C ATOM 417 OE1 GLN A 28 2.180 -13.543 6.443 1.00 73.32 O ATOM 418 NE2 GLN A 28 3.888 -14.767 5.650 1.00 64.25 N ATOM 0 H GLN A 28 6.582 -11.309 5.851 1.00 52.32 H new ATOM 0 HA GLN A 28 5.090 -11.199 3.294 1.00 20.35 H new ATOM 0 HB2 GLN A 28 4.295 -11.571 6.160 1.00 53.55 H new ATOM 0 HB3 GLN A 28 3.230 -10.613 5.152 1.00 53.55 H new ATOM 0 HG2 GLN A 28 2.449 -12.419 4.052 1.00 4.55 H new ATOM 0 HG3 GLN A 28 4.052 -13.091 3.823 1.00 4.55 H new ATOM 0 HE21 GLN A 28 4.636 -14.856 4.962 1.00 64.25 H new ATOM 0 HE22 GLN A 28 3.747 -15.498 6.348 1.00 64.25 H new ATOM 427 N TYR A 29 4.174 -8.726 3.948 1.00 63.24 N ATOM 428 CA TYR A 29 4.102 -7.270 3.939 1.00 3.30 C ATOM 429 C TYR A 29 3.325 -6.755 5.147 1.00 0.33 C ATOM 430 O TYR A 29 2.454 -7.442 5.680 1.00 33.34 O ATOM 431 CB TYR A 29 3.444 -6.780 2.648 1.00 51.52 C ATOM 432 CG TYR A 29 4.425 -6.525 1.527 1.00 12.32 C ATOM 433 CD1 TYR A 29 5.266 -5.418 1.551 1.00 25.45 C ATOM 434 CD2 TYR A 29 4.512 -7.390 0.442 1.00 74.23 C ATOM 435 CE1 TYR A 29 6.164 -5.181 0.528 1.00 32.32 C ATOM 436 CE2 TYR A 29 5.408 -7.162 -0.583 1.00 33.14 C ATOM 437 CZ TYR A 29 6.232 -6.056 -0.536 1.00 22.43 C ATOM 438 OH TYR A 29 7.125 -5.824 -1.558 1.00 70.54 O ATOM 0 H TYR A 29 3.336 -9.192 3.600 1.00 63.24 H new ATOM 0 HA TYR A 29 5.119 -6.881 3.992 1.00 3.30 H new ATOM 0 HB2 TYR A 29 2.714 -7.519 2.319 1.00 51.52 H new ATOM 0 HB3 TYR A 29 2.896 -5.861 2.856 1.00 51.52 H new ATOM 0 HD1 TYR A 29 5.216 -4.732 2.383 1.00 25.45 H new ATOM 0 HD2 TYR A 29 3.867 -8.255 0.400 1.00 74.23 H new ATOM 0 HE1 TYR A 29 6.809 -4.315 0.561 1.00 32.32 H new ATOM 0 HE2 TYR A 29 5.464 -7.846 -1.417 1.00 33.14 H new ATOM 0 HH TYR A 29 7.287 -6.658 -2.046 1.00 70.54 H new ATOM 448 N LYS A 30 3.646 -5.538 5.572 1.00 65.01 N ATOM 449 CA LYS A 30 2.978 -4.926 6.716 1.00 33.23 C ATOM 450 C LYS A 30 2.892 -3.413 6.549 1.00 3.11 C ATOM 451 O LYS A 30 3.505 -2.840 5.647 1.00 71.33 O ATOM 452 CB LYS A 30 3.723 -5.266 8.009 1.00 31.15 C ATOM 453 CG LYS A 30 2.975 -6.238 8.904 1.00 63.45 C ATOM 454 CD LYS A 30 3.483 -6.183 10.335 1.00 33.22 C ATOM 455 CE LYS A 30 3.412 -7.547 11.005 1.00 35.14 C ATOM 456 NZ LYS A 30 3.849 -7.490 12.427 1.00 11.31 N ATOM 0 H LYS A 30 4.364 -4.955 5.142 1.00 65.01 H new ATOM 0 HA LYS A 30 1.966 -5.326 6.771 1.00 33.23 H new ATOM 0 HB2 LYS A 30 4.695 -5.691 7.758 1.00 31.15 H new ATOM 0 HB3 LYS A 30 3.911 -4.346 8.563 1.00 31.15 H new ATOM 0 HG2 LYS A 30 1.910 -6.005 8.886 1.00 63.45 H new ATOM 0 HG3 LYS A 30 3.086 -7.251 8.516 1.00 63.45 H new ATOM 0 HD2 LYS A 30 4.513 -5.826 10.343 1.00 33.22 H new ATOM 0 HD3 LYS A 30 2.892 -5.466 10.905 1.00 33.22 H new ATOM 0 HE2 LYS A 30 2.391 -7.924 10.954 1.00 35.14 H new ATOM 0 HE3 LYS A 30 4.040 -8.252 10.460 1.00 35.14 H new ATOM 0 HZ1 LYS A 30 3.786 -8.439 12.848 1.00 11.31 H new ATOM 0 HZ2 LYS A 30 4.832 -7.155 12.475 1.00 11.31 H new ATOM 0 HZ3 LYS A 30 3.234 -6.837 12.953 1.00 11.31 H new ATOM 470 N LEU A 31 2.127 -2.769 7.425 1.00 72.04 N ATOM 471 CA LEU A 31 1.961 -1.320 7.376 1.00 73.54 C ATOM 472 C LEU A 31 3.307 -0.624 7.199 1.00 52.00 C ATOM 473 O LEU A 31 3.454 0.265 6.359 1.00 22.40 O ATOM 474 CB LEU A 31 1.280 -0.821 8.651 1.00 63.33 C ATOM 475 CG LEU A 31 -0.216 -0.525 8.542 1.00 30.24 C ATOM 476 CD1 LEU A 31 -0.999 -1.808 8.310 1.00 33.43 C ATOM 477 CD2 LEU A 31 -0.713 0.186 9.791 1.00 73.34 C ATOM 0 H LEU A 31 1.612 -3.227 8.177 1.00 72.04 H new ATOM 0 HA LEU A 31 1.332 -1.080 6.518 1.00 73.54 H new ATOM 0 HB2 LEU A 31 1.426 -1.567 9.433 1.00 63.33 H new ATOM 0 HB3 LEU A 31 1.787 0.087 8.978 1.00 63.33 H new ATOM 0 HG LEU A 31 -0.374 0.133 7.687 1.00 30.24 H new ATOM 0 HD11 LEU A 31 -2.062 -1.577 8.235 1.00 33.43 H new ATOM 0 HD12 LEU A 31 -0.663 -2.277 7.385 1.00 33.43 H new ATOM 0 HD13 LEU A 31 -0.834 -2.491 9.143 1.00 33.43 H new ATOM 0 HD21 LEU A 31 -1.780 0.388 9.694 1.00 73.34 H new ATOM 0 HD22 LEU A 31 -0.541 -0.446 10.662 1.00 73.34 H new ATOM 0 HD23 LEU A 31 -0.175 1.126 9.913 1.00 73.34 H new ATOM 489 N LYS A 32 4.288 -1.035 7.995 1.00 13.31 N ATOM 490 CA LYS A 32 5.624 -0.454 7.926 1.00 14.33 C ATOM 491 C LYS A 32 6.010 -0.146 6.482 1.00 62.43 C ATOM 492 O LYS A 32 6.495 0.943 6.176 1.00 61.32 O ATOM 493 CB LYS A 32 6.649 -1.404 8.548 1.00 31.42 C ATOM 494 CG LYS A 32 7.324 -0.844 9.788 1.00 32.14 C ATOM 495 CD LYS A 32 7.801 -1.953 10.712 1.00 15.12 C ATOM 496 CE LYS A 32 8.184 -1.412 12.080 1.00 3.42 C ATOM 497 NZ LYS A 32 7.687 -2.283 13.180 1.00 35.51 N ATOM 0 H LYS A 32 4.183 -1.769 8.696 1.00 13.31 H new ATOM 0 HA LYS A 32 5.616 0.480 8.488 1.00 14.33 H new ATOM 0 HB2 LYS A 32 6.154 -2.341 8.806 1.00 31.42 H new ATOM 0 HB3 LYS A 32 7.411 -1.640 7.805 1.00 31.42 H new ATOM 0 HG2 LYS A 32 8.171 -0.225 9.494 1.00 32.14 H new ATOM 0 HG3 LYS A 32 6.627 -0.198 10.322 1.00 32.14 H new ATOM 0 HD2 LYS A 32 7.015 -2.700 10.822 1.00 15.12 H new ATOM 0 HD3 LYS A 32 8.659 -2.456 10.266 1.00 15.12 H new ATOM 0 HE2 LYS A 32 9.269 -1.327 12.146 1.00 3.42 H new ATOM 0 HE3 LYS A 32 7.778 -0.408 12.200 1.00 3.42 H new ATOM 0 HZ1 LYS A 32 7.969 -1.880 14.096 1.00 35.51 H new ATOM 0 HZ2 LYS A 32 6.650 -2.344 13.133 1.00 35.51 H new ATOM 0 HZ3 LYS A 32 8.095 -3.235 13.081 1.00 35.51 H new ATOM 511 N HIS A 33 5.790 -1.114 5.598 1.00 2.24 N ATOM 512 CA HIS A 33 6.112 -0.947 4.184 1.00 15.33 C ATOM 513 C HIS A 33 5.221 0.114 3.547 1.00 3.44 C ATOM 514 O HIS A 33 5.769 0.968 2.848 1.00 64.14 O ATOM 515 CB HIS A 33 5.954 -2.274 3.442 1.00 24.20 C ATOM 516 CG HIS A 33 6.708 -3.406 4.072 1.00 1.34 C ATOM 517 ND1 HIS A 33 6.088 -4.478 4.678 1.00 61.11 N ATOM 518 CD2 HIS A 33 8.037 -3.628 4.187 1.00 33.22 C ATOM 519 CE1 HIS A 33 7.004 -5.310 5.139 1.00 51.34 C ATOM 520 NE2 HIS A 33 8.196 -4.818 4.852 1.00 43.53 N ATOM 0 H HIS A 33 5.390 -2.022 5.835 1.00 2.24 H new ATOM 0 HA HIS A 33 7.149 -0.620 4.109 1.00 15.33 H new ATOM 0 HB2 HIS A 33 4.896 -2.533 3.398 1.00 24.20 H new ATOM 0 HB3 HIS A 33 6.294 -2.149 2.414 1.00 24.20 H new ATOM 0 HD2 HIS A 33 8.827 -2.988 3.823 1.00 33.22 H new ATOM 0 HE1 HIS A 33 6.811 -6.235 5.662 1.00 51.34 H new ATOM 0 HE2 HIS A 33 9.089 -5.252 5.086 1.00 43.53 H new ATOM 528 N ILE A 34 3.908 0.086 3.759 1.00 55.05 N ATOM 529 CA ILE A 34 3.019 1.080 3.172 1.00 64.51 C ATOM 530 C ILE A 34 3.465 2.494 3.524 1.00 15.51 C ATOM 531 O ILE A 34 3.721 3.313 2.640 1.00 50.23 O ATOM 532 CB ILE A 34 1.566 0.880 3.641 1.00 5.42 C ATOM 533 CG1 ILE A 34 1.017 -0.450 3.124 1.00 21.41 C ATOM 534 CG2 ILE A 34 0.694 2.036 3.173 1.00 10.32 C ATOM 535 CD1 ILE A 34 -0.317 -0.830 3.727 1.00 62.03 C ATOM 0 H ILE A 34 3.438 -0.614 4.333 1.00 55.05 H new ATOM 0 HA ILE A 34 3.066 0.947 2.091 1.00 64.51 H new ATOM 0 HB ILE A 34 1.553 0.857 4.731 1.00 5.42 H new ATOM 0 HG12 ILE A 34 0.914 -0.394 2.040 1.00 21.41 H new ATOM 0 HG13 ILE A 34 1.739 -1.238 3.335 1.00 21.41 H new ATOM 0 HG21 ILE A 34 -0.330 1.880 3.512 1.00 10.32 H new ATOM 0 HG22 ILE A 34 1.075 2.970 3.587 1.00 10.32 H new ATOM 0 HG23 ILE A 34 0.712 2.087 2.084 1.00 10.32 H new ATOM 0 HD11 ILE A 34 -0.645 -1.784 3.314 1.00 62.03 H new ATOM 0 HD12 ILE A 34 -0.215 -0.919 4.809 1.00 62.03 H new ATOM 0 HD13 ILE A 34 -1.054 -0.061 3.494 1.00 62.03 H new ATOM 547 N VAL A 35 3.559 2.775 4.819 1.00 3.30 N ATOM 548 CA VAL A 35 3.977 4.091 5.289 1.00 31.42 C ATOM 549 C VAL A 35 5.291 4.511 4.642 1.00 55.30 C ATOM 550 O VAL A 35 5.420 5.632 4.147 1.00 12.02 O ATOM 551 CB VAL A 35 4.141 4.114 6.820 1.00 2.24 C ATOM 552 CG1 VAL A 35 4.630 5.478 7.284 1.00 65.43 C ATOM 553 CG2 VAL A 35 2.831 3.747 7.501 1.00 22.23 C ATOM 0 H VAL A 35 3.351 2.109 5.563 1.00 3.30 H new ATOM 0 HA VAL A 35 3.193 4.793 5.005 1.00 31.42 H new ATOM 0 HB VAL A 35 4.889 3.372 7.100 1.00 2.24 H new ATOM 0 HG11 VAL A 35 4.740 5.476 8.368 1.00 65.43 H new ATOM 0 HG12 VAL A 35 5.593 5.696 6.822 1.00 65.43 H new ATOM 0 HG13 VAL A 35 3.908 6.241 6.994 1.00 65.43 H new ATOM 0 HG21 VAL A 35 2.965 3.768 8.583 1.00 22.23 H new ATOM 0 HG22 VAL A 35 2.060 4.463 7.217 1.00 22.23 H new ATOM 0 HG23 VAL A 35 2.528 2.746 7.192 1.00 22.23 H new ATOM 563 N TRP A 36 6.264 3.608 4.649 1.00 31.35 N ATOM 564 CA TRP A 36 7.570 3.886 4.061 1.00 24.11 C ATOM 565 C TRP A 36 7.435 4.263 2.589 1.00 55.55 C ATOM 566 O TRP A 36 8.329 4.886 2.016 1.00 41.41 O ATOM 567 CB TRP A 36 8.487 2.670 4.206 1.00 71.22 C ATOM 568 CG TRP A 36 9.772 2.800 3.445 1.00 45.34 C ATOM 569 CD1 TRP A 36 10.975 3.221 3.935 1.00 53.23 C ATOM 570 CD2 TRP A 36 9.980 2.510 2.058 1.00 41.35 C ATOM 571 NE1 TRP A 36 11.919 3.210 2.937 1.00 34.32 N ATOM 572 CE2 TRP A 36 11.334 2.776 1.776 1.00 53.53 C ATOM 573 CE3 TRP A 36 9.155 2.048 1.029 1.00 53.52 C ATOM 574 CZ2 TRP A 36 11.879 2.598 0.507 1.00 43.22 C ATOM 575 CZ3 TRP A 36 9.697 1.872 -0.230 1.00 42.24 C ATOM 576 CH2 TRP A 36 11.048 2.146 -0.482 1.00 73.42 C ATOM 0 H TRP A 36 6.174 2.677 5.055 1.00 31.35 H new ATOM 0 HA TRP A 36 8.009 4.729 4.595 1.00 24.11 H new ATOM 0 HB2 TRP A 36 8.712 2.518 5.262 1.00 71.22 H new ATOM 0 HB3 TRP A 36 7.958 1.782 3.862 1.00 71.22 H new ATOM 0 HD1 TRP A 36 11.158 3.519 4.957 1.00 53.23 H new ATOM 0 HE1 TRP A 36 12.897 3.481 3.043 1.00 34.32 H new ATOM 0 HE3 TRP A 36 8.113 1.832 1.214 1.00 53.52 H new ATOM 0 HZ2 TRP A 36 12.920 2.809 0.310 1.00 43.22 H new ATOM 0 HZ3 TRP A 36 9.069 1.517 -1.033 1.00 42.24 H new ATOM 0 HH2 TRP A 36 11.441 1.997 -1.477 1.00 73.42 H new ATOM 587 N ALA A 37 6.315 3.883 1.985 1.00 63.30 N ATOM 588 CA ALA A 37 6.064 4.185 0.582 1.00 10.43 C ATOM 589 C ALA A 37 5.277 5.482 0.431 1.00 20.53 C ATOM 590 O ALA A 37 5.687 6.388 -0.294 1.00 33.20 O ATOM 591 CB ALA A 37 5.321 3.034 -0.081 1.00 32.05 C ATOM 0 H ALA A 37 5.567 3.365 2.446 1.00 63.30 H new ATOM 0 HA ALA A 37 7.026 4.315 0.087 1.00 10.43 H new ATOM 0 HB1 ALA A 37 5.140 3.273 -1.129 1.00 32.05 H new ATOM 0 HB2 ALA A 37 5.922 2.127 -0.014 1.00 32.05 H new ATOM 0 HB3 ALA A 37 4.368 2.876 0.425 1.00 32.05 H new ATOM 597 N SER A 38 4.143 5.564 1.121 1.00 21.34 N ATOM 598 CA SER A 38 3.296 6.749 1.060 1.00 21.35 C ATOM 599 C SER A 38 4.044 7.979 1.564 1.00 51.20 C ATOM 600 O SER A 38 3.830 9.091 1.081 1.00 75.20 O ATOM 601 CB SER A 38 2.025 6.536 1.886 1.00 15.11 C ATOM 602 OG SER A 38 1.108 7.598 1.692 1.00 25.12 O ATOM 0 H SER A 38 3.790 4.824 1.728 1.00 21.34 H new ATOM 0 HA SER A 38 3.021 6.915 0.019 1.00 21.35 H new ATOM 0 HB2 SER A 38 1.558 5.592 1.604 1.00 15.11 H new ATOM 0 HB3 SER A 38 2.282 6.462 2.943 1.00 15.11 H new ATOM 0 HG SER A 38 0.304 7.438 2.229 1.00 25.12 H new ATOM 608 N ARG A 39 4.922 7.770 2.541 1.00 3.55 N ATOM 609 CA ARG A 39 5.702 8.861 3.113 1.00 22.04 C ATOM 610 C ARG A 39 6.737 9.370 2.115 1.00 30.13 C ATOM 611 O ARG A 39 7.237 10.489 2.241 1.00 25.54 O ATOM 612 CB ARG A 39 6.397 8.401 4.396 1.00 3.01 C ATOM 613 CG ARG A 39 6.918 9.545 5.249 1.00 53.33 C ATOM 614 CD ARG A 39 7.463 9.045 6.578 1.00 43.44 C ATOM 615 NE ARG A 39 7.057 9.899 7.691 1.00 70.21 N ATOM 616 CZ ARG A 39 7.610 11.078 7.954 1.00 22.43 C ATOM 617 NH1 ARG A 39 8.587 11.541 7.186 1.00 4.12 N ATOM 618 NH2 ARG A 39 7.186 11.797 8.985 1.00 21.12 N ATOM 0 H ARG A 39 5.110 6.856 2.952 1.00 3.55 H new ATOM 0 HA ARG A 39 5.020 9.677 3.350 1.00 22.04 H new ATOM 0 HB2 ARG A 39 5.698 7.808 4.986 1.00 3.01 H new ATOM 0 HB3 ARG A 39 7.228 7.746 4.134 1.00 3.01 H new ATOM 0 HG2 ARG A 39 7.703 10.075 4.709 1.00 53.33 H new ATOM 0 HG3 ARG A 39 6.116 10.261 5.429 1.00 53.33 H new ATOM 0 HD2 ARG A 39 7.112 8.028 6.754 1.00 43.44 H new ATOM 0 HD3 ARG A 39 8.551 9.003 6.531 1.00 43.44 H new ATOM 0 HE ARG A 39 6.307 9.572 8.300 1.00 70.21 H new ATOM 0 HH11 ARG A 39 8.915 10.992 6.392 1.00 4.12 H new ATOM 0 HH12 ARG A 39 9.010 12.446 7.390 1.00 4.12 H new ATOM 0 HH21 ARG A 39 6.434 11.445 9.578 1.00 21.12 H new ATOM 0 HH22 ARG A 39 7.612 12.702 9.185 1.00 21.12 H new ATOM 632 N GLU A 40 7.056 8.542 1.125 1.00 51.13 N ATOM 633 CA GLU A 40 8.034 8.909 0.107 1.00 2.11 C ATOM 634 C GLU A 40 7.370 9.675 -1.033 1.00 70.10 C ATOM 635 O GLU A 40 7.947 10.611 -1.587 1.00 41.24 O ATOM 636 CB GLU A 40 8.728 7.660 -0.438 1.00 32.52 C ATOM 637 CG GLU A 40 10.043 7.952 -1.141 1.00 24.25 C ATOM 638 CD GLU A 40 11.242 7.418 -0.381 1.00 24.21 C ATOM 639 OE1 GLU A 40 11.131 6.323 0.209 1.00 13.13 O ATOM 640 OE2 GLU A 40 12.290 8.096 -0.376 1.00 10.53 O ATOM 0 H GLU A 40 6.652 7.613 1.006 1.00 51.13 H new ATOM 0 HA GLU A 40 8.779 9.556 0.571 1.00 2.11 H new ATOM 0 HB2 GLU A 40 8.911 6.968 0.384 1.00 32.52 H new ATOM 0 HB3 GLU A 40 8.057 7.157 -1.134 1.00 32.52 H new ATOM 0 HG2 GLU A 40 10.024 7.511 -2.138 1.00 24.25 H new ATOM 0 HG3 GLU A 40 10.150 9.029 -1.271 1.00 24.25 H new ATOM 647 N LEU A 41 6.154 9.269 -1.382 1.00 62.23 N ATOM 648 CA LEU A 41 5.409 9.916 -2.457 1.00 73.23 C ATOM 649 C LEU A 41 5.024 11.340 -2.072 1.00 40.01 C ATOM 650 O LEU A 41 4.993 12.235 -2.916 1.00 5.12 O ATOM 651 CB LEU A 41 4.155 9.109 -2.793 1.00 63.11 C ATOM 652 CG LEU A 41 4.374 7.840 -3.618 1.00 41.34 C ATOM 653 CD1 LEU A 41 3.047 7.150 -3.898 1.00 73.11 C ATOM 654 CD2 LEU A 41 5.092 8.167 -4.919 1.00 25.21 C ATOM 0 H LEU A 41 5.663 8.494 -0.936 1.00 62.23 H new ATOM 0 HA LEU A 41 6.052 9.959 -3.336 1.00 73.23 H new ATOM 0 HB2 LEU A 41 3.665 8.831 -1.860 1.00 63.11 H new ATOM 0 HB3 LEU A 41 3.465 9.756 -3.335 1.00 63.11 H new ATOM 0 HG LEU A 41 5.000 7.159 -3.042 1.00 41.34 H new ATOM 0 HD11 LEU A 41 3.222 6.249 -4.486 1.00 73.11 H new ATOM 0 HD12 LEU A 41 2.571 6.881 -2.955 1.00 73.11 H new ATOM 0 HD13 LEU A 41 2.396 7.825 -4.454 1.00 73.11 H new ATOM 0 HD21 LEU A 41 5.239 7.252 -5.493 1.00 25.21 H new ATOM 0 HD22 LEU A 41 4.492 8.867 -5.500 1.00 25.21 H new ATOM 0 HD23 LEU A 41 6.060 8.616 -4.697 1.00 25.21 H new ATOM 666 N GLU A 42 4.733 11.544 -0.791 1.00 63.14 N ATOM 667 CA GLU A 42 4.351 12.860 -0.294 1.00 4.42 C ATOM 668 C GLU A 42 5.455 13.880 -0.552 1.00 15.42 C ATOM 669 O GLU A 42 5.189 15.009 -0.967 1.00 23.41 O ATOM 670 CB GLU A 42 4.041 12.795 1.202 1.00 41.45 C ATOM 671 CG GLU A 42 3.465 14.085 1.762 1.00 12.31 C ATOM 672 CD GLU A 42 3.142 13.988 3.240 1.00 5.20 C ATOM 673 OE1 GLU A 42 3.305 12.890 3.811 1.00 63.22 O ATOM 674 OE2 GLU A 42 2.726 15.009 3.826 1.00 3.40 O ATOM 0 H GLU A 42 4.755 10.814 -0.079 1.00 63.14 H new ATOM 0 HA GLU A 42 3.456 13.176 -0.829 1.00 4.42 H new ATOM 0 HB2 GLU A 42 3.336 11.984 1.383 1.00 41.45 H new ATOM 0 HB3 GLU A 42 4.955 12.550 1.743 1.00 41.45 H new ATOM 0 HG2 GLU A 42 4.176 14.895 1.602 1.00 12.31 H new ATOM 0 HG3 GLU A 42 2.560 14.343 1.212 1.00 12.31 H new ATOM 681 N ARG A 43 6.697 13.477 -0.303 1.00 25.22 N ATOM 682 CA ARG A 43 7.842 14.355 -0.506 1.00 30.15 C ATOM 683 C ARG A 43 8.270 14.361 -1.971 1.00 33.11 C ATOM 684 O ARG A 43 8.846 15.334 -2.457 1.00 50.21 O ATOM 685 CB ARG A 43 9.011 13.916 0.377 1.00 11.20 C ATOM 686 CG ARG A 43 10.310 14.647 0.075 1.00 43.41 C ATOM 687 CD ARG A 43 10.168 16.146 0.288 1.00 62.20 C ATOM 688 NE ARG A 43 11.464 16.814 0.355 1.00 54.30 N ATOM 689 CZ ARG A 43 11.628 18.059 0.788 1.00 50.33 C ATOM 690 NH1 ARG A 43 10.583 18.767 1.192 1.00 65.23 N ATOM 691 NH2 ARG A 43 12.840 18.599 0.819 1.00 35.13 N ATOM 0 H ARG A 43 6.935 12.547 0.040 1.00 25.22 H new ATOM 0 HA ARG A 43 7.546 15.367 -0.228 1.00 30.15 H new ATOM 0 HB2 ARG A 43 8.747 14.078 1.422 1.00 11.20 H new ATOM 0 HB3 ARG A 43 9.169 12.845 0.251 1.00 11.20 H new ATOM 0 HG2 ARG A 43 11.103 14.261 0.715 1.00 43.41 H new ATOM 0 HG3 ARG A 43 10.608 14.451 -0.955 1.00 43.41 H new ATOM 0 HD2 ARG A 43 9.581 16.574 -0.525 1.00 62.20 H new ATOM 0 HD3 ARG A 43 9.617 16.331 1.210 1.00 62.20 H new ATOM 0 HE ARG A 43 12.289 16.296 0.053 1.00 54.30 H new ATOM 0 HH11 ARG A 43 9.650 18.356 1.171 1.00 65.23 H new ATOM 0 HH12 ARG A 43 10.712 19.723 1.524 1.00 65.23 H new ATOM 0 HH21 ARG A 43 13.647 18.058 0.510 1.00 35.13 H new ATOM 0 HH22 ARG A 43 12.964 19.555 1.152 1.00 35.13 H new ATOM 705 N PHE A 44 7.984 13.266 -2.669 1.00 41.41 N ATOM 706 CA PHE A 44 8.341 13.144 -4.078 1.00 20.11 C ATOM 707 C PHE A 44 7.572 14.154 -4.924 1.00 45.23 C ATOM 708 O PHE A 44 7.907 14.392 -6.084 1.00 51.34 O ATOM 709 CB PHE A 44 8.059 11.725 -4.576 1.00 45.23 C ATOM 710 CG PHE A 44 9.301 10.936 -4.874 1.00 34.14 C ATOM 711 CD1 PHE A 44 10.365 10.932 -3.988 1.00 54.14 C ATOM 712 CD2 PHE A 44 9.406 10.199 -6.043 1.00 62.32 C ATOM 713 CE1 PHE A 44 11.510 10.208 -4.260 1.00 14.55 C ATOM 714 CE2 PHE A 44 10.548 9.472 -6.322 1.00 1.30 C ATOM 715 CZ PHE A 44 11.602 9.476 -5.429 1.00 41.12 C ATOM 0 H PHE A 44 7.507 12.452 -2.282 1.00 41.41 H new ATOM 0 HA PHE A 44 9.407 13.351 -4.176 1.00 20.11 H new ATOM 0 HB2 PHE A 44 7.473 11.195 -3.825 1.00 45.23 H new ATOM 0 HB3 PHE A 44 7.448 11.780 -5.477 1.00 45.23 H new ATOM 0 HD1 PHE A 44 10.299 11.502 -3.073 1.00 54.14 H new ATOM 0 HD2 PHE A 44 8.585 10.193 -6.745 1.00 62.32 H new ATOM 0 HE1 PHE A 44 12.332 10.214 -3.560 1.00 14.55 H new ATOM 0 HE2 PHE A 44 10.616 8.902 -7.237 1.00 1.30 H new ATOM 0 HZ PHE A 44 12.496 8.909 -5.644 1.00 41.12 H new ATOM 725 N ALA A 45 6.537 14.744 -4.334 1.00 23.21 N ATOM 726 CA ALA A 45 5.719 15.730 -5.032 1.00 72.33 C ATOM 727 C ALA A 45 4.528 15.069 -5.715 1.00 23.12 C ATOM 728 O ALA A 45 3.785 15.717 -6.454 1.00 71.13 O ATOM 729 CB ALA A 45 6.560 16.488 -6.048 1.00 53.15 C ATOM 0 H ALA A 45 6.245 14.557 -3.375 1.00 23.21 H new ATOM 0 HA ALA A 45 5.336 16.436 -4.295 1.00 72.33 H new ATOM 0 HB1 ALA A 45 5.937 17.220 -6.562 1.00 53.15 H new ATOM 0 HB2 ALA A 45 7.375 17.000 -5.536 1.00 53.15 H new ATOM 0 HB3 ALA A 45 6.971 15.788 -6.775 1.00 53.15 H new ATOM 735 N VAL A 46 4.350 13.776 -5.465 1.00 23.41 N ATOM 736 CA VAL A 46 3.246 13.027 -6.057 1.00 55.31 C ATOM 737 C VAL A 46 2.133 12.795 -5.041 1.00 12.44 C ATOM 738 O VAL A 46 2.378 12.318 -3.935 1.00 71.11 O ATOM 739 CB VAL A 46 3.721 11.667 -6.602 1.00 63.04 C ATOM 740 CG1 VAL A 46 2.533 10.751 -6.857 1.00 1.10 C ATOM 741 CG2 VAL A 46 4.539 11.857 -7.870 1.00 11.33 C ATOM 0 H VAL A 46 4.955 13.225 -4.857 1.00 23.41 H new ATOM 0 HA VAL A 46 2.861 13.627 -6.882 1.00 55.31 H new ATOM 0 HB VAL A 46 4.359 11.197 -5.853 1.00 63.04 H new ATOM 0 HG11 VAL A 46 2.887 9.795 -7.242 1.00 1.10 H new ATOM 0 HG12 VAL A 46 1.992 10.589 -5.925 1.00 1.10 H new ATOM 0 HG13 VAL A 46 1.868 11.212 -7.587 1.00 1.10 H new ATOM 0 HG21 VAL A 46 4.866 10.886 -8.241 1.00 11.33 H new ATOM 0 HG22 VAL A 46 3.928 12.347 -8.627 1.00 11.33 H new ATOM 0 HG23 VAL A 46 5.410 12.474 -7.652 1.00 11.33 H new ATOM 751 N ASN A 47 0.908 13.137 -5.428 1.00 62.04 N ATOM 752 CA ASN A 47 -0.245 12.966 -4.551 1.00 4.10 C ATOM 753 C ASN A 47 -0.307 11.543 -4.005 1.00 54.24 C ATOM 754 O ASN A 47 -0.370 10.567 -4.752 1.00 74.14 O ATOM 755 CB ASN A 47 -1.537 13.292 -5.304 1.00 64.23 C ATOM 756 CG ASN A 47 -2.351 14.369 -4.615 1.00 12.41 C ATOM 757 OD1 ASN A 47 -1.845 15.452 -4.318 1.00 0.31 O ATOM 758 ND2 ASN A 47 -3.621 14.078 -4.356 1.00 11.15 N ATOM 0 H ASN A 47 0.688 13.534 -6.342 1.00 62.04 H new ATOM 0 HA ASN A 47 -0.137 13.654 -3.712 1.00 4.10 H new ATOM 0 HB2 ASN A 47 -1.293 13.616 -6.316 1.00 64.23 H new ATOM 0 HB3 ASN A 47 -2.139 12.388 -5.396 1.00 64.23 H new ATOM 0 HD21 ASN A 47 -4.217 14.764 -3.894 1.00 11.15 H new ATOM 0 HD22 ASN A 47 -4.000 13.168 -4.619 1.00 11.15 H new ATOM 765 N PRO A 48 -0.289 11.421 -2.669 1.00 5.33 N ATOM 766 CA PRO A 48 -0.344 10.122 -1.992 1.00 50.12 C ATOM 767 C PRO A 48 -1.706 9.451 -2.134 1.00 1.33 C ATOM 768 O PRO A 48 -1.888 8.302 -1.734 1.00 32.43 O ATOM 769 CB PRO A 48 -0.071 10.473 -0.527 1.00 4.20 C ATOM 770 CG PRO A 48 -0.504 11.893 -0.391 1.00 62.41 C ATOM 771 CD PRO A 48 -0.217 12.542 -1.717 1.00 54.21 C ATOM 0 HA PRO A 48 0.368 9.412 -2.414 1.00 50.12 H new ATOM 0 HB2 PRO A 48 -0.629 9.823 0.147 1.00 4.20 H new ATOM 0 HB3 PRO A 48 0.985 10.356 -0.282 1.00 4.20 H new ATOM 0 HG2 PRO A 48 -1.564 11.956 -0.147 1.00 62.41 H new ATOM 0 HG3 PRO A 48 0.038 12.391 0.413 1.00 62.41 H new ATOM 0 HD2 PRO A 48 -0.948 13.316 -1.952 1.00 54.21 H new ATOM 0 HD3 PRO A 48 0.764 13.016 -1.728 1.00 54.21 H new ATOM 779 N GLY A 49 -2.662 10.176 -2.706 1.00 12.50 N ATOM 780 CA GLY A 49 -3.995 9.635 -2.891 1.00 60.22 C ATOM 781 C GLY A 49 -4.084 8.707 -4.086 1.00 33.35 C ATOM 782 O GLY A 49 -5.087 8.017 -4.274 1.00 11.11 O ATOM 0 H GLY A 49 -2.537 11.130 -3.045 1.00 12.50 H new ATOM 0 HA2 GLY A 49 -4.292 9.094 -1.992 1.00 60.22 H new ATOM 0 HA3 GLY A 49 -4.702 10.455 -3.018 1.00 60.22 H new ATOM 786 N LEU A 50 -3.032 8.689 -4.898 1.00 64.20 N ATOM 787 CA LEU A 50 -2.995 7.839 -6.084 1.00 54.33 C ATOM 788 C LEU A 50 -2.717 6.388 -5.705 1.00 72.42 C ATOM 789 O LEU A 50 -3.063 5.465 -6.443 1.00 21.30 O ATOM 790 CB LEU A 50 -1.927 8.337 -7.059 1.00 13.30 C ATOM 791 CG LEU A 50 -1.874 9.849 -7.281 1.00 11.23 C ATOM 792 CD1 LEU A 50 -0.520 10.258 -7.842 1.00 0.23 C ATOM 793 CD2 LEU A 50 -2.994 10.291 -8.211 1.00 50.21 C ATOM 0 H LEU A 50 -2.194 9.253 -4.757 1.00 64.20 H new ATOM 0 HA LEU A 50 -3.971 7.888 -6.567 1.00 54.33 H new ATOM 0 HB2 LEU A 50 -0.952 8.009 -6.698 1.00 13.30 H new ATOM 0 HB3 LEU A 50 -2.089 7.854 -8.022 1.00 13.30 H new ATOM 0 HG LEU A 50 -2.011 10.344 -6.319 1.00 11.23 H new ATOM 0 HD11 LEU A 50 -0.500 11.337 -7.994 1.00 0.23 H new ATOM 0 HD12 LEU A 50 0.265 9.976 -7.140 1.00 0.23 H new ATOM 0 HD13 LEU A 50 -0.354 9.755 -8.794 1.00 0.23 H new ATOM 0 HD21 LEU A 50 -2.941 11.370 -8.358 1.00 50.21 H new ATOM 0 HD22 LEU A 50 -2.888 9.788 -9.172 1.00 50.21 H new ATOM 0 HD23 LEU A 50 -3.957 10.032 -7.770 1.00 50.21 H new ATOM 805 N LEU A 51 -2.092 6.193 -4.549 1.00 41.31 N ATOM 806 CA LEU A 51 -1.770 4.853 -4.069 1.00 32.05 C ATOM 807 C LEU A 51 -3.039 4.067 -3.756 1.00 21.13 C ATOM 808 O LEU A 51 -3.020 2.837 -3.702 1.00 11.21 O ATOM 809 CB LEU A 51 -0.886 4.935 -2.824 1.00 23.23 C ATOM 810 CG LEU A 51 0.602 5.182 -3.071 1.00 13.45 C ATOM 811 CD1 LEU A 51 1.350 5.303 -1.753 1.00 35.31 C ATOM 812 CD2 LEU A 51 1.194 4.068 -3.923 1.00 2.22 C ATOM 0 H LEU A 51 -1.798 6.946 -3.926 1.00 41.31 H new ATOM 0 HA LEU A 51 -1.228 4.332 -4.858 1.00 32.05 H new ATOM 0 HB2 LEU A 51 -1.265 5.733 -2.186 1.00 23.23 H new ATOM 0 HB3 LEU A 51 -0.991 4.004 -2.266 1.00 23.23 H new ATOM 0 HG LEU A 51 0.709 6.122 -3.613 1.00 13.45 H new ATOM 0 HD11 LEU A 51 2.408 5.479 -1.950 1.00 35.31 H new ATOM 0 HD12 LEU A 51 0.944 6.136 -1.180 1.00 35.31 H new ATOM 0 HD13 LEU A 51 1.235 4.381 -1.183 1.00 35.31 H new ATOM 0 HD21 LEU A 51 2.254 4.261 -4.089 1.00 2.22 H new ATOM 0 HD22 LEU A 51 1.075 3.114 -3.409 1.00 2.22 H new ATOM 0 HD23 LEU A 51 0.678 4.030 -4.882 1.00 2.22 H new ATOM 824 N GLU A 52 -4.140 4.785 -3.554 1.00 75.31 N ATOM 825 CA GLU A 52 -5.417 4.153 -3.248 1.00 4.12 C ATOM 826 C GLU A 52 -6.132 3.724 -4.527 1.00 41.02 C ATOM 827 O GLU A 52 -6.948 2.802 -4.516 1.00 34.20 O ATOM 828 CB GLU A 52 -6.306 5.109 -2.451 1.00 61.01 C ATOM 829 CG GLU A 52 -7.022 6.136 -3.312 1.00 35.11 C ATOM 830 CD GLU A 52 -8.466 5.762 -3.588 1.00 52.24 C ATOM 831 OE1 GLU A 52 -8.694 4.766 -4.305 1.00 3.11 O ATOM 832 OE2 GLU A 52 -9.366 6.466 -3.084 1.00 31.15 O ATOM 0 H GLU A 52 -4.172 5.804 -3.597 1.00 75.31 H new ATOM 0 HA GLU A 52 -5.219 3.265 -2.647 1.00 4.12 H new ATOM 0 HB2 GLU A 52 -7.047 4.529 -1.901 1.00 61.01 H new ATOM 0 HB3 GLU A 52 -5.696 5.629 -1.713 1.00 61.01 H new ATOM 0 HG2 GLU A 52 -6.990 7.106 -2.816 1.00 35.11 H new ATOM 0 HG3 GLU A 52 -6.492 6.245 -4.258 1.00 35.11 H new ATOM 839 N THR A 53 -5.819 4.400 -5.627 1.00 24.35 N ATOM 840 CA THR A 53 -6.432 4.091 -6.913 1.00 20.42 C ATOM 841 C THR A 53 -5.485 3.283 -7.794 1.00 63.04 C ATOM 842 O THR A 53 -4.358 3.702 -8.057 1.00 13.03 O ATOM 843 CB THR A 53 -6.842 5.373 -7.663 1.00 24.30 C ATOM 844 OG1 THR A 53 -5.785 5.793 -8.531 1.00 54.24 O ATOM 845 CG2 THR A 53 -7.176 6.489 -6.683 1.00 33.43 C ATOM 0 H THR A 53 -5.145 5.165 -5.654 1.00 24.35 H new ATOM 0 HA THR A 53 -7.323 3.500 -6.703 1.00 20.42 H new ATOM 0 HB THR A 53 -7.730 5.153 -8.255 1.00 24.30 H new ATOM 0 HG1 THR A 53 -6.055 6.607 -9.005 1.00 54.24 H new ATOM 0 HG21 THR A 53 -7.463 7.384 -7.235 1.00 33.43 H new ATOM 0 HG22 THR A 53 -8.002 6.177 -6.044 1.00 33.43 H new ATOM 0 HG23 THR A 53 -6.303 6.706 -6.068 1.00 33.43 H new ATOM 853 N SER A 54 -5.950 2.123 -8.247 1.00 51.52 N ATOM 854 CA SER A 54 -5.142 1.255 -9.096 1.00 70.21 C ATOM 855 C SER A 54 -4.595 2.024 -10.294 1.00 53.21 C ATOM 856 O SER A 54 -3.536 1.692 -10.827 1.00 22.41 O ATOM 857 CB SER A 54 -5.971 0.062 -9.576 1.00 12.10 C ATOM 858 OG SER A 54 -7.248 0.047 -8.961 1.00 40.11 O ATOM 0 H SER A 54 -6.882 1.763 -8.040 1.00 51.52 H new ATOM 0 HA SER A 54 -4.301 0.890 -8.506 1.00 70.21 H new ATOM 0 HB2 SER A 54 -6.086 0.107 -10.659 1.00 12.10 H new ATOM 0 HB3 SER A 54 -5.444 -0.865 -9.350 1.00 12.10 H new ATOM 0 HG SER A 54 -7.758 -0.724 -9.286 1.00 40.11 H new ATOM 864 N GLU A 55 -5.323 3.054 -10.712 1.00 4.24 N ATOM 865 CA GLU A 55 -4.912 3.870 -11.848 1.00 33.51 C ATOM 866 C GLU A 55 -3.690 4.714 -11.497 1.00 44.13 C ATOM 867 O GLU A 55 -2.883 5.048 -12.363 1.00 31.42 O ATOM 868 CB GLU A 55 -6.060 4.776 -12.297 1.00 45.40 C ATOM 869 CG GLU A 55 -7.022 4.106 -13.264 1.00 30.04 C ATOM 870 CD GLU A 55 -6.409 3.880 -14.633 1.00 4.41 C ATOM 871 OE1 GLU A 55 -5.763 4.814 -15.154 1.00 25.14 O ATOM 872 OE2 GLU A 55 -6.576 2.772 -15.183 1.00 71.13 O ATOM 0 H GLU A 55 -6.201 3.343 -10.281 1.00 4.24 H new ATOM 0 HA GLU A 55 -4.647 3.200 -12.666 1.00 33.51 H new ATOM 0 HB2 GLU A 55 -6.614 5.109 -11.419 1.00 45.40 H new ATOM 0 HB3 GLU A 55 -5.645 5.667 -12.769 1.00 45.40 H new ATOM 0 HG2 GLU A 55 -7.340 3.149 -12.850 1.00 30.04 H new ATOM 0 HG3 GLU A 55 -7.916 4.722 -13.367 1.00 30.04 H new ATOM 879 N GLY A 56 -3.563 5.058 -10.219 1.00 74.31 N ATOM 880 CA GLY A 56 -2.439 5.861 -9.775 1.00 50.34 C ATOM 881 C GLY A 56 -1.113 5.145 -9.943 1.00 52.41 C ATOM 882 O GLY A 56 -0.182 5.682 -10.545 1.00 51.30 O ATOM 0 H GLY A 56 -4.219 4.795 -9.483 1.00 74.31 H new ATOM 0 HA2 GLY A 56 -2.418 6.794 -10.338 1.00 50.34 H new ATOM 0 HA3 GLY A 56 -2.576 6.124 -8.726 1.00 50.34 H new ATOM 886 N CYS A 57 -1.025 3.933 -9.408 1.00 5.02 N ATOM 887 CA CYS A 57 0.198 3.143 -9.500 1.00 52.45 C ATOM 888 C CYS A 57 0.593 2.920 -10.956 1.00 42.13 C ATOM 889 O CYS A 57 1.747 3.126 -11.335 1.00 44.12 O ATOM 890 CB CYS A 57 0.015 1.798 -8.796 1.00 21.32 C ATOM 891 SG CYS A 57 -0.388 1.932 -7.039 1.00 55.24 S ATOM 0 H CYS A 57 -1.786 3.475 -8.906 1.00 5.02 H new ATOM 0 HA CYS A 57 0.997 3.697 -9.007 1.00 52.45 H new ATOM 0 HB2 CYS A 57 -0.777 1.242 -9.298 1.00 21.32 H new ATOM 0 HB3 CYS A 57 0.930 1.216 -8.904 1.00 21.32 H new ATOM 0 HG CYS A 57 -0.931 0.823 -6.633 1.00 55.24 H new ATOM 897 N ARG A 58 -0.370 2.497 -11.767 1.00 20.14 N ATOM 898 CA ARG A 58 -0.123 2.243 -13.181 1.00 14.32 C ATOM 899 C ARG A 58 0.745 3.343 -13.787 1.00 23.43 C ATOM 900 O ARG A 58 1.558 3.087 -14.675 1.00 42.03 O ATOM 901 CB ARG A 58 -1.445 2.144 -13.943 1.00 20.23 C ATOM 902 CG ARG A 58 -1.287 1.665 -15.377 1.00 72.10 C ATOM 903 CD ARG A 58 -2.562 1.877 -16.179 1.00 0.22 C ATOM 904 NE ARG A 58 -2.657 3.235 -16.706 1.00 1.52 N ATOM 905 CZ ARG A 58 -3.721 3.701 -17.350 1.00 42.41 C ATOM 906 NH1 ARG A 58 -4.776 2.922 -17.545 1.00 45.32 N ATOM 907 NH2 ARG A 58 -3.732 4.949 -17.800 1.00 1.51 N ATOM 0 H ARG A 58 -1.330 2.323 -11.469 1.00 20.14 H new ATOM 0 HA ARG A 58 0.408 1.295 -13.266 1.00 14.32 H new ATOM 0 HB2 ARG A 58 -2.110 1.463 -13.413 1.00 20.23 H new ATOM 0 HB3 ARG A 58 -1.927 3.122 -13.946 1.00 20.23 H new ATOM 0 HG2 ARG A 58 -0.464 2.200 -15.852 1.00 72.10 H new ATOM 0 HG3 ARG A 58 -1.025 0.607 -15.382 1.00 72.10 H new ATOM 0 HD2 ARG A 58 -2.594 1.165 -17.004 1.00 0.22 H new ATOM 0 HD3 ARG A 58 -3.426 1.672 -15.547 1.00 0.22 H new ATOM 0 HE ARG A 58 -1.862 3.860 -16.572 1.00 1.52 H new ATOM 0 HH11 ARG A 58 -4.772 1.962 -17.200 1.00 45.32 H new ATOM 0 HH12 ARG A 58 -5.592 3.283 -18.040 1.00 45.32 H new ATOM 0 HH21 ARG A 58 -2.923 5.552 -17.652 1.00 1.51 H new ATOM 0 HH22 ARG A 58 -4.550 5.306 -18.294 1.00 1.51 H new ATOM 921 N GLN A 59 0.563 4.567 -13.302 1.00 51.52 N ATOM 922 CA GLN A 59 1.328 5.705 -13.797 1.00 14.25 C ATOM 923 C GLN A 59 2.607 5.895 -12.987 1.00 1.54 C ATOM 924 O GLN A 59 3.662 6.210 -13.540 1.00 22.15 O ATOM 925 CB GLN A 59 0.481 6.979 -13.742 1.00 60.34 C ATOM 926 CG GLN A 59 -0.207 7.308 -15.056 1.00 4.42 C ATOM 927 CD GLN A 59 -0.838 8.687 -15.055 1.00 65.33 C ATOM 928 OE1 GLN A 59 -0.312 9.623 -14.454 1.00 55.10 O ATOM 929 NE2 GLN A 59 -1.976 8.818 -15.728 1.00 62.21 N ATOM 0 H GLN A 59 -0.107 4.796 -12.568 1.00 51.52 H new ATOM 0 HA GLN A 59 1.602 5.504 -14.833 1.00 14.25 H new ATOM 0 HB2 GLN A 59 -0.274 6.870 -12.963 1.00 60.34 H new ATOM 0 HB3 GLN A 59 1.117 7.816 -13.455 1.00 60.34 H new ATOM 0 HG2 GLN A 59 0.518 7.245 -15.867 1.00 4.42 H new ATOM 0 HG3 GLN A 59 -0.975 6.561 -15.257 1.00 4.42 H new ATOM 0 HE21 GLN A 59 -2.377 8.015 -16.212 1.00 62.21 H new ATOM 0 HE22 GLN A 59 -2.448 9.721 -15.760 1.00 62.21 H new ATOM 938 N ILE A 60 2.505 5.704 -11.677 1.00 53.04 N ATOM 939 CA ILE A 60 3.654 5.853 -10.792 1.00 11.33 C ATOM 940 C ILE A 60 4.758 4.865 -11.152 1.00 43.12 C ATOM 941 O ILE A 60 5.939 5.124 -10.920 1.00 52.25 O ATOM 942 CB ILE A 60 3.260 5.650 -9.317 1.00 3.43 C ATOM 943 CG1 ILE A 60 2.200 6.674 -8.905 1.00 62.43 C ATOM 944 CG2 ILE A 60 4.485 5.757 -8.422 1.00 64.00 C ATOM 945 CD1 ILE A 60 1.313 6.203 -7.773 1.00 43.01 C ATOM 0 H ILE A 60 1.639 5.446 -11.204 1.00 53.04 H new ATOM 0 HA ILE A 60 4.023 6.870 -10.924 1.00 11.33 H new ATOM 0 HB ILE A 60 2.838 4.652 -9.202 1.00 3.43 H new ATOM 0 HG12 ILE A 60 2.695 7.598 -8.607 1.00 62.43 H new ATOM 0 HG13 ILE A 60 1.579 6.909 -9.769 1.00 62.43 H new ATOM 0 HG21 ILE A 60 4.190 5.611 -7.383 1.00 64.00 H new ATOM 0 HG22 ILE A 60 5.210 4.993 -8.704 1.00 64.00 H new ATOM 0 HG23 ILE A 60 4.934 6.743 -8.537 1.00 64.00 H new ATOM 0 HD11 ILE A 60 0.586 6.979 -7.534 1.00 43.01 H new ATOM 0 HD12 ILE A 60 0.790 5.296 -8.074 1.00 43.01 H new ATOM 0 HD13 ILE A 60 1.924 5.995 -6.895 1.00 43.01 H new ATOM 957 N LEU A 61 4.366 3.732 -11.723 1.00 61.31 N ATOM 958 CA LEU A 61 5.322 2.704 -12.119 1.00 72.45 C ATOM 959 C LEU A 61 5.893 2.994 -13.503 1.00 23.21 C ATOM 960 O LEU A 61 6.967 2.509 -13.856 1.00 11.34 O ATOM 961 CB LEU A 61 4.655 1.326 -12.108 1.00 52.45 C ATOM 962 CG LEU A 61 4.282 0.772 -10.732 1.00 61.13 C ATOM 963 CD1 LEU A 61 3.120 -0.202 -10.846 1.00 72.40 C ATOM 964 CD2 LEU A 61 5.484 0.099 -10.085 1.00 45.04 C ATOM 0 H LEU A 61 3.393 3.502 -11.922 1.00 61.31 H new ATOM 0 HA LEU A 61 6.141 2.710 -11.400 1.00 72.45 H new ATOM 0 HB2 LEU A 61 3.751 1.377 -12.714 1.00 52.45 H new ATOM 0 HB3 LEU A 61 5.325 0.616 -12.594 1.00 52.45 H new ATOM 0 HG LEU A 61 3.971 1.603 -10.098 1.00 61.13 H new ATOM 0 HD11 LEU A 61 2.869 -0.586 -9.857 1.00 72.40 H new ATOM 0 HD12 LEU A 61 2.255 0.311 -11.267 1.00 72.40 H new ATOM 0 HD13 LEU A 61 3.402 -1.030 -11.496 1.00 72.40 H new ATOM 0 HD21 LEU A 61 5.201 -0.289 -9.107 1.00 45.04 H new ATOM 0 HD22 LEU A 61 5.825 -0.721 -10.716 1.00 45.04 H new ATOM 0 HD23 LEU A 61 6.288 0.825 -9.968 1.00 45.04 H new ATOM 976 N GLY A 62 5.166 3.788 -14.282 1.00 12.51 N ATOM 977 CA GLY A 62 5.617 4.132 -15.619 1.00 60.24 C ATOM 978 C GLY A 62 6.780 5.103 -15.607 1.00 54.54 C ATOM 979 O GLY A 62 7.606 5.104 -16.518 1.00 11.22 O ATOM 0 H GLY A 62 4.273 4.200 -14.012 1.00 12.51 H new ATOM 0 HA2 GLY A 62 5.912 3.224 -16.145 1.00 60.24 H new ATOM 0 HA3 GLY A 62 4.789 4.569 -16.177 1.00 60.24 H new ATOM 983 N GLN A 63 6.844 5.935 -14.571 1.00 72.04 N ATOM 984 CA GLN A 63 7.913 6.918 -14.446 1.00 73.32 C ATOM 985 C GLN A 63 9.213 6.256 -13.998 1.00 63.13 C ATOM 986 O GLN A 63 10.265 6.452 -14.606 1.00 20.25 O ATOM 987 CB GLN A 63 7.516 8.012 -13.454 1.00 64.13 C ATOM 988 CG GLN A 63 7.123 9.321 -14.116 1.00 12.24 C ATOM 989 CD GLN A 63 7.917 10.503 -13.593 1.00 31.45 C ATOM 990 OE1 GLN A 63 7.680 10.983 -12.485 1.00 62.45 O ATOM 991 NE2 GLN A 63 8.867 10.977 -14.391 1.00 33.13 N ATOM 0 H GLN A 63 6.168 5.947 -13.807 1.00 72.04 H new ATOM 0 HA GLN A 63 8.074 7.367 -15.426 1.00 73.32 H new ATOM 0 HB2 GLN A 63 6.682 7.656 -12.848 1.00 64.13 H new ATOM 0 HB3 GLN A 63 8.349 8.194 -12.775 1.00 64.13 H new ATOM 0 HG2 GLN A 63 7.270 9.237 -15.193 1.00 12.24 H new ATOM 0 HG3 GLN A 63 6.061 9.501 -13.953 1.00 12.24 H new ATOM 0 HE21 GLN A 63 9.029 10.548 -15.302 1.00 33.13 H new ATOM 0 HE22 GLN A 63 9.435 11.770 -14.093 1.00 33.13 H new ATOM 1000 N LEU A 64 9.132 5.471 -12.929 1.00 72.24 N ATOM 1001 CA LEU A 64 10.301 4.778 -12.398 1.00 40.41 C ATOM 1002 C LEU A 64 10.723 3.637 -13.317 1.00 10.42 C ATOM 1003 O LEU A 64 11.893 3.258 -13.354 1.00 13.41 O ATOM 1004 CB LEU A 64 10.006 4.237 -10.997 1.00 14.45 C ATOM 1005 CG LEU A 64 9.262 5.185 -10.055 1.00 63.40 C ATOM 1006 CD1 LEU A 64 8.943 4.488 -8.741 1.00 72.42 C ATOM 1007 CD2 LEU A 64 10.080 6.444 -9.808 1.00 32.33 C ATOM 0 H LEU A 64 8.269 5.299 -12.413 1.00 72.24 H new ATOM 0 HA LEU A 64 11.120 5.494 -12.339 1.00 40.41 H new ATOM 0 HB2 LEU A 64 9.420 3.323 -11.098 1.00 14.45 H new ATOM 0 HB3 LEU A 64 10.951 3.960 -10.530 1.00 14.45 H new ATOM 0 HG LEU A 64 8.323 5.474 -10.528 1.00 63.40 H new ATOM 0 HD11 LEU A 64 8.414 5.177 -8.083 1.00 72.42 H new ATOM 0 HD12 LEU A 64 8.317 3.617 -8.934 1.00 72.42 H new ATOM 0 HD13 LEU A 64 9.870 4.170 -8.264 1.00 72.42 H new ATOM 0 HD21 LEU A 64 9.535 7.106 -9.136 1.00 32.33 H new ATOM 0 HD22 LEU A 64 11.035 6.175 -9.356 1.00 32.33 H new ATOM 0 HD23 LEU A 64 10.257 6.954 -10.755 1.00 32.33 H new ATOM 1019 N GLN A 65 9.763 3.097 -14.061 1.00 44.22 N ATOM 1020 CA GLN A 65 10.036 2.001 -14.981 1.00 14.02 C ATOM 1021 C GLN A 65 11.280 2.287 -15.815 1.00 1.34 C ATOM 1022 O GLN A 65 12.277 1.567 -15.757 1.00 65.31 O ATOM 1023 CB GLN A 65 8.835 1.767 -15.899 1.00 32.42 C ATOM 1024 CG GLN A 65 9.207 1.176 -17.250 1.00 13.32 C ATOM 1025 CD GLN A 65 8.004 0.654 -18.010 1.00 14.32 C ATOM 1026 OE1 GLN A 65 6.980 1.329 -18.114 1.00 63.42 O ATOM 1027 NE2 GLN A 65 8.123 -0.555 -18.548 1.00 10.11 N ATOM 0 H GLN A 65 8.790 3.401 -14.044 1.00 44.22 H new ATOM 0 HA GLN A 65 10.215 1.102 -14.392 1.00 14.02 H new ATOM 0 HB2 GLN A 65 8.132 1.099 -15.401 1.00 32.42 H new ATOM 0 HB3 GLN A 65 8.318 2.714 -16.056 1.00 32.42 H new ATOM 0 HG2 GLN A 65 9.709 1.936 -17.849 1.00 13.32 H new ATOM 0 HG3 GLN A 65 9.920 0.364 -17.103 1.00 13.32 H new ATOM 0 HE21 GLN A 65 8.991 -1.080 -18.437 1.00 10.11 H new ATOM 0 HE22 GLN A 65 7.347 -0.959 -19.072 1.00 10.11 H new ATOM 1036 N PRO A 66 11.223 3.366 -16.612 1.00 31.21 N ATOM 1037 CA PRO A 66 12.337 3.773 -17.473 1.00 32.22 C ATOM 1038 C PRO A 66 13.523 4.303 -16.676 1.00 55.23 C ATOM 1039 O PRO A 66 14.563 4.642 -17.241 1.00 5.21 O ATOM 1040 CB PRO A 66 11.732 4.884 -18.334 1.00 32.45 C ATOM 1041 CG PRO A 66 10.614 5.432 -17.516 1.00 34.54 C ATOM 1042 CD PRO A 66 10.067 4.270 -16.733 1.00 72.22 C ATOM 0 HA PRO A 66 12.733 2.937 -18.049 1.00 32.22 H new ATOM 0 HB2 PRO A 66 12.469 5.654 -18.562 1.00 32.45 H new ATOM 0 HB3 PRO A 66 11.372 4.495 -19.286 1.00 32.45 H new ATOM 0 HG2 PRO A 66 10.967 6.220 -16.850 1.00 34.54 H new ATOM 0 HG3 PRO A 66 9.845 5.872 -18.151 1.00 34.54 H new ATOM 0 HD2 PRO A 66 9.697 4.582 -15.756 1.00 72.22 H new ATOM 0 HD3 PRO A 66 9.236 3.792 -17.251 1.00 72.22 H new ATOM 1050 N SER A 67 13.361 4.372 -15.358 1.00 43.12 N ATOM 1051 CA SER A 67 14.418 4.865 -14.483 1.00 43.11 C ATOM 1052 C SER A 67 15.157 3.707 -13.818 1.00 51.42 C ATOM 1053 O SER A 67 16.210 3.895 -13.208 1.00 13.22 O ATOM 1054 CB SER A 67 13.833 5.792 -13.415 1.00 74.15 C ATOM 1055 OG SER A 67 12.927 6.720 -13.985 1.00 33.01 O ATOM 0 H SER A 67 12.508 4.093 -14.873 1.00 43.12 H new ATOM 0 HA SER A 67 15.128 5.425 -15.091 1.00 43.11 H new ATOM 0 HB2 SER A 67 13.322 5.200 -12.656 1.00 74.15 H new ATOM 0 HB3 SER A 67 14.639 6.327 -12.913 1.00 74.15 H new ATOM 0 HG SER A 67 12.058 6.288 -14.121 1.00 33.01 H new ATOM 1061 N LEU A 68 14.596 2.509 -13.940 1.00 74.45 N ATOM 1062 CA LEU A 68 15.201 1.318 -13.352 1.00 40.30 C ATOM 1063 C LEU A 68 16.618 1.110 -13.878 1.00 25.13 C ATOM 1064 O LEU A 68 17.452 0.496 -13.214 1.00 64.13 O ATOM 1065 CB LEU A 68 14.346 0.087 -13.653 1.00 72.32 C ATOM 1066 CG LEU A 68 12.963 0.053 -13.002 1.00 53.35 C ATOM 1067 CD1 LEU A 68 12.032 -0.871 -13.771 1.00 11.21 C ATOM 1068 CD2 LEU A 68 13.069 -0.383 -11.548 1.00 63.43 C ATOM 0 H LEU A 68 13.724 2.336 -14.440 1.00 74.45 H new ATOM 0 HA LEU A 68 15.252 1.461 -12.273 1.00 40.30 H new ATOM 0 HB2 LEU A 68 14.219 0.014 -14.733 1.00 72.32 H new ATOM 0 HB3 LEU A 68 14.896 -0.799 -13.336 1.00 72.32 H new ATOM 0 HG LEU A 68 12.545 1.059 -13.030 1.00 53.35 H new ATOM 0 HD11 LEU A 68 11.053 -0.882 -13.292 1.00 11.21 H new ATOM 0 HD12 LEU A 68 11.931 -0.515 -14.796 1.00 11.21 H new ATOM 0 HD13 LEU A 68 12.444 -1.880 -13.777 1.00 11.21 H new ATOM 0 HD21 LEU A 68 12.075 -0.402 -11.100 1.00 63.43 H new ATOM 0 HD22 LEU A 68 13.508 -1.379 -11.498 1.00 63.43 H new ATOM 0 HD23 LEU A 68 13.700 0.319 -11.003 1.00 63.43 H new ATOM 1080 N GLN A 69 16.881 1.627 -15.074 1.00 23.35 N ATOM 1081 CA GLN A 69 18.197 1.497 -15.689 1.00 45.23 C ATOM 1082 C GLN A 69 19.289 1.983 -14.742 1.00 13.02 C ATOM 1083 O GLN A 69 20.283 1.292 -14.516 1.00 34.13 O ATOM 1084 CB GLN A 69 18.251 2.288 -16.998 1.00 74.23 C ATOM 1085 CG GLN A 69 19.457 1.951 -17.861 1.00 4.23 C ATOM 1086 CD GLN A 69 19.591 0.464 -18.121 1.00 10.34 C ATOM 1087 OE1 GLN A 69 18.768 -0.134 -18.816 1.00 35.01 O ATOM 1088 NE2 GLN A 69 20.632 -0.143 -17.564 1.00 13.41 N ATOM 0 H GLN A 69 16.201 2.139 -15.636 1.00 23.35 H new ATOM 0 HA GLN A 69 18.369 0.442 -15.903 1.00 45.23 H new ATOM 0 HB2 GLN A 69 17.342 2.096 -17.567 1.00 74.23 H new ATOM 0 HB3 GLN A 69 18.264 3.354 -16.769 1.00 74.23 H new ATOM 0 HG2 GLN A 69 19.376 2.477 -18.813 1.00 4.23 H new ATOM 0 HG3 GLN A 69 20.361 2.313 -17.372 1.00 4.23 H new ATOM 0 HE21 GLN A 69 21.289 0.391 -16.996 1.00 13.41 H new ATOM 0 HE22 GLN A 69 20.774 -1.143 -17.705 1.00 13.41 H new ATOM 1097 N THR A 70 19.099 3.177 -14.189 1.00 62.14 N ATOM 1098 CA THR A 70 20.068 3.756 -13.268 1.00 53.01 C ATOM 1099 C THR A 70 19.377 4.364 -12.052 1.00 2.02 C ATOM 1100 O THR A 70 19.715 5.465 -11.620 1.00 55.23 O ATOM 1101 CB THR A 70 20.919 4.841 -13.956 1.00 73.41 C ATOM 1102 OG1 THR A 70 20.068 5.803 -14.588 1.00 41.24 O ATOM 1103 CG2 THR A 70 21.850 4.223 -14.989 1.00 43.44 C ATOM 0 H THR A 70 18.282 3.762 -14.364 1.00 62.14 H new ATOM 0 HA THR A 70 20.719 2.944 -12.944 1.00 53.01 H new ATOM 0 HB THR A 70 21.523 5.336 -13.195 1.00 73.41 H new ATOM 0 HG1 THR A 70 20.616 6.490 -15.021 1.00 41.24 H new ATOM 0 HG21 THR A 70 22.441 5.008 -15.462 1.00 43.44 H new ATOM 0 HG22 THR A 70 22.516 3.512 -14.500 1.00 43.44 H new ATOM 0 HG23 THR A 70 21.261 3.706 -15.747 1.00 43.44 H new ATOM 1111 N GLY A 71 18.406 3.639 -11.505 1.00 4.32 N ATOM 1112 CA GLY A 71 17.683 4.124 -10.345 1.00 43.13 C ATOM 1113 C GLY A 71 18.352 3.736 -9.041 1.00 73.14 C ATOM 1114 O GLY A 71 18.629 2.560 -8.803 1.00 10.35 O ATOM 0 H GLY A 71 18.108 2.725 -11.845 1.00 4.32 H new ATOM 0 HA2 GLY A 71 17.602 5.210 -10.399 1.00 43.13 H new ATOM 0 HA3 GLY A 71 16.668 3.727 -10.361 1.00 43.13 H new ATOM 1118 N SER A 72 18.615 4.727 -8.194 1.00 31.31 N ATOM 1119 CA SER A 72 19.262 4.483 -6.910 1.00 1.44 C ATOM 1120 C SER A 72 18.525 3.401 -6.128 1.00 65.02 C ATOM 1121 O SER A 72 17.441 2.969 -6.516 1.00 31.33 O ATOM 1122 CB SER A 72 19.315 5.774 -6.091 1.00 74.05 C ATOM 1123 OG SER A 72 18.152 6.557 -6.295 1.00 75.13 O ATOM 0 H SER A 72 18.390 5.705 -8.374 1.00 31.31 H new ATOM 0 HA SER A 72 20.279 4.139 -7.101 1.00 1.44 H new ATOM 0 HB2 SER A 72 19.413 5.533 -5.033 1.00 74.05 H new ATOM 0 HB3 SER A 72 20.198 6.349 -6.370 1.00 74.05 H new ATOM 0 HG SER A 72 18.303 7.180 -7.036 1.00 75.13 H new ATOM 1129 N GLU A 73 19.123 2.968 -5.022 1.00 63.31 N ATOM 1130 CA GLU A 73 18.524 1.935 -4.185 1.00 1.10 C ATOM 1131 C GLU A 73 17.079 2.283 -3.841 1.00 31.02 C ATOM 1132 O GLU A 73 16.243 1.398 -3.659 1.00 14.23 O ATOM 1133 CB GLU A 73 19.336 1.755 -2.900 1.00 1.13 C ATOM 1134 CG GLU A 73 18.842 0.617 -2.023 1.00 73.10 C ATOM 1135 CD GLU A 73 19.739 -0.605 -2.093 1.00 53.14 C ATOM 1136 OE1 GLU A 73 19.912 -1.152 -3.201 1.00 13.14 O ATOM 1137 OE2 GLU A 73 20.267 -1.012 -1.037 1.00 74.34 O ATOM 0 H GLU A 73 20.021 3.316 -4.685 1.00 63.31 H new ATOM 0 HA GLU A 73 18.531 1.000 -4.746 1.00 1.10 H new ATOM 0 HB2 GLU A 73 20.379 1.575 -3.161 1.00 1.13 H new ATOM 0 HB3 GLU A 73 19.306 2.683 -2.328 1.00 1.13 H new ATOM 0 HG2 GLU A 73 18.781 0.959 -0.990 1.00 73.10 H new ATOM 0 HG3 GLU A 73 17.833 0.340 -2.328 1.00 73.10 H new ATOM 1144 N GLU A 74 16.794 3.578 -3.753 1.00 4.31 N ATOM 1145 CA GLU A 74 15.449 4.043 -3.430 1.00 50.54 C ATOM 1146 C GLU A 74 14.459 3.649 -4.521 1.00 35.15 C ATOM 1147 O GLU A 74 13.369 3.154 -4.237 1.00 24.32 O ATOM 1148 CB GLU A 74 15.442 5.563 -3.245 1.00 25.33 C ATOM 1149 CG GLU A 74 16.259 6.035 -2.053 1.00 20.44 C ATOM 1150 CD GLU A 74 16.128 7.526 -1.810 1.00 20.43 C ATOM 1151 OE1 GLU A 74 16.641 8.308 -2.638 1.00 12.53 O ATOM 1152 OE2 GLU A 74 15.513 7.910 -0.794 1.00 33.25 O ATOM 0 H GLU A 74 17.475 4.323 -3.900 1.00 4.31 H new ATOM 0 HA GLU A 74 15.143 3.568 -2.498 1.00 50.54 H new ATOM 0 HB2 GLU A 74 15.830 6.032 -4.149 1.00 25.33 H new ATOM 0 HB3 GLU A 74 14.413 5.901 -3.126 1.00 25.33 H new ATOM 0 HG2 GLU A 74 15.939 5.496 -1.161 1.00 20.44 H new ATOM 0 HG3 GLU A 74 17.308 5.788 -2.215 1.00 20.44 H new ATOM 1159 N LEU A 75 14.848 3.871 -5.773 1.00 51.52 N ATOM 1160 CA LEU A 75 13.995 3.539 -6.909 1.00 11.43 C ATOM 1161 C LEU A 75 13.698 2.044 -6.949 1.00 64.24 C ATOM 1162 O LEU A 75 12.614 1.627 -7.357 1.00 74.44 O ATOM 1163 CB LEU A 75 14.662 3.973 -8.215 1.00 31.23 C ATOM 1164 CG LEU A 75 13.719 4.325 -9.366 1.00 24.43 C ATOM 1165 CD1 LEU A 75 14.172 5.600 -10.057 1.00 0.31 C ATOM 1166 CD2 LEU A 75 13.640 3.175 -10.362 1.00 54.53 C ATOM 0 H LEU A 75 15.748 4.279 -6.026 1.00 51.52 H new ATOM 0 HA LEU A 75 13.053 4.074 -6.793 1.00 11.43 H new ATOM 0 HB2 LEU A 75 15.290 4.840 -8.008 1.00 31.23 H new ATOM 0 HB3 LEU A 75 15.323 3.172 -8.546 1.00 31.23 H new ATOM 0 HG LEU A 75 12.723 4.493 -8.955 1.00 24.43 H new ATOM 0 HD11 LEU A 75 13.488 5.834 -10.873 1.00 0.31 H new ATOM 0 HD12 LEU A 75 14.176 6.421 -9.340 1.00 0.31 H new ATOM 0 HD13 LEU A 75 15.177 5.461 -10.454 1.00 0.31 H new ATOM 0 HD21 LEU A 75 12.964 3.443 -11.174 1.00 54.53 H new ATOM 0 HD22 LEU A 75 14.632 2.975 -10.766 1.00 54.53 H new ATOM 0 HD23 LEU A 75 13.267 2.283 -9.859 1.00 54.53 H new ATOM 1178 N ARG A 76 14.666 1.241 -6.519 1.00 54.03 N ATOM 1179 CA ARG A 76 14.508 -0.207 -6.504 1.00 74.32 C ATOM 1180 C ARG A 76 13.605 -0.644 -5.353 1.00 2.44 C ATOM 1181 O ARG A 76 12.830 -1.592 -5.484 1.00 30.23 O ATOM 1182 CB ARG A 76 15.871 -0.890 -6.382 1.00 74.43 C ATOM 1183 CG ARG A 76 16.264 -1.692 -7.612 1.00 31.04 C ATOM 1184 CD ARG A 76 17.193 -2.841 -7.255 1.00 24.40 C ATOM 1185 NE ARG A 76 16.510 -4.132 -7.307 1.00 74.12 N ATOM 1186 CZ ARG A 76 17.097 -5.286 -7.011 1.00 13.11 C ATOM 1187 NH1 ARG A 76 18.372 -5.311 -6.646 1.00 34.31 N ATOM 1188 NH2 ARG A 76 16.410 -6.419 -7.082 1.00 71.44 N ATOM 0 H ARG A 76 15.569 1.570 -6.176 1.00 54.03 H new ATOM 0 HA ARG A 76 14.042 -0.505 -7.443 1.00 74.32 H new ATOM 0 HB2 ARG A 76 16.632 -0.132 -6.195 1.00 74.43 H new ATOM 0 HB3 ARG A 76 15.860 -1.552 -5.516 1.00 74.43 H new ATOM 0 HG2 ARG A 76 15.368 -2.083 -8.094 1.00 31.04 H new ATOM 0 HG3 ARG A 76 16.754 -1.038 -8.333 1.00 31.04 H new ATOM 0 HD2 ARG A 76 18.039 -2.850 -7.942 1.00 24.40 H new ATOM 0 HD3 ARG A 76 17.596 -2.684 -6.255 1.00 24.40 H new ATOM 0 HE ARG A 76 15.529 -4.148 -7.586 1.00 74.12 H new ATOM 0 HH11 ARG A 76 18.904 -4.442 -6.592 1.00 34.31 H new ATOM 0 HH12 ARG A 76 18.820 -6.199 -6.419 1.00 34.31 H new ATOM 0 HH21 ARG A 76 15.430 -6.404 -7.364 1.00 71.44 H new ATOM 0 HH22 ARG A 76 16.862 -7.305 -6.854 1.00 71.44 H new ATOM 1202 N SER A 77 13.709 0.054 -4.228 1.00 54.11 N ATOM 1203 CA SER A 77 12.906 -0.263 -3.053 1.00 61.11 C ATOM 1204 C SER A 77 11.453 0.155 -3.260 1.00 12.32 C ATOM 1205 O SER A 77 10.535 -0.448 -2.702 1.00 33.45 O ATOM 1206 CB SER A 77 13.477 0.430 -1.814 1.00 14.15 C ATOM 1207 OG SER A 77 14.744 -0.105 -1.470 1.00 44.01 O ATOM 0 H SER A 77 14.342 0.844 -4.105 1.00 54.11 H new ATOM 0 HA SER A 77 12.938 -1.342 -2.902 1.00 61.11 H new ATOM 0 HB2 SER A 77 13.569 1.500 -2.002 1.00 14.15 H new ATOM 0 HB3 SER A 77 12.789 0.311 -0.977 1.00 14.15 H new ATOM 0 HG SER A 77 15.429 0.267 -2.065 1.00 44.01 H new ATOM 1213 N LEU A 78 11.253 1.193 -4.065 1.00 64.01 N ATOM 1214 CA LEU A 78 9.912 1.695 -4.346 1.00 24.32 C ATOM 1215 C LEU A 78 9.177 0.770 -5.311 1.00 4.23 C ATOM 1216 O LEU A 78 8.114 0.238 -4.988 1.00 32.31 O ATOM 1217 CB LEU A 78 9.986 3.107 -4.931 1.00 74.33 C ATOM 1218 CG LEU A 78 9.575 4.243 -3.995 1.00 61.12 C ATOM 1219 CD1 LEU A 78 8.174 4.008 -3.451 1.00 31.12 C ATOM 1220 CD2 LEU A 78 10.574 4.384 -2.855 1.00 33.05 C ATOM 0 H LEU A 78 12.001 1.703 -4.534 1.00 64.01 H new ATOM 0 HA LEU A 78 9.358 1.727 -3.408 1.00 24.32 H new ATOM 0 HB2 LEU A 78 11.008 3.288 -5.263 1.00 74.33 H new ATOM 0 HB3 LEU A 78 9.352 3.145 -5.817 1.00 74.33 H new ATOM 0 HG LEU A 78 9.570 5.172 -4.565 1.00 61.12 H new ATOM 0 HD11 LEU A 78 7.899 4.827 -2.787 1.00 31.12 H new ATOM 0 HD12 LEU A 78 7.466 3.959 -4.278 1.00 31.12 H new ATOM 0 HD13 LEU A 78 8.151 3.069 -2.898 1.00 31.12 H new ATOM 0 HD21 LEU A 78 10.265 5.198 -2.199 1.00 33.05 H new ATOM 0 HD22 LEU A 78 10.612 3.454 -2.287 1.00 33.05 H new ATOM 0 HD23 LEU A 78 11.562 4.601 -3.262 1.00 33.05 H new ATOM 1232 N TYR A 79 9.749 0.584 -6.495 1.00 21.03 N ATOM 1233 CA TYR A 79 9.147 -0.276 -7.508 1.00 61.15 C ATOM 1234 C TYR A 79 8.653 -1.581 -6.891 1.00 60.23 C ATOM 1235 O TYR A 79 7.544 -2.033 -7.172 1.00 73.33 O ATOM 1236 CB TYR A 79 10.155 -0.574 -8.618 1.00 52.31 C ATOM 1237 CG TYR A 79 9.527 -0.704 -9.987 1.00 31.11 C ATOM 1238 CD1 TYR A 79 8.827 0.353 -10.555 1.00 12.41 C ATOM 1239 CD2 TYR A 79 9.633 -1.884 -10.712 1.00 33.34 C ATOM 1240 CE1 TYR A 79 8.250 0.239 -11.805 1.00 31.43 C ATOM 1241 CE2 TYR A 79 9.062 -2.008 -11.964 1.00 3.24 C ATOM 1242 CZ TYR A 79 8.371 -0.943 -12.506 1.00 35.51 C ATOM 1243 OH TYR A 79 7.799 -1.062 -13.752 1.00 63.50 O ATOM 0 H TYR A 79 10.628 1.017 -6.777 1.00 21.03 H new ATOM 0 HA TYR A 79 8.293 0.250 -7.934 1.00 61.15 H new ATOM 0 HB2 TYR A 79 10.900 0.221 -8.643 1.00 52.31 H new ATOM 0 HB3 TYR A 79 10.682 -1.498 -8.380 1.00 52.31 H new ATOM 0 HD1 TYR A 79 8.732 1.280 -10.010 1.00 12.41 H new ATOM 0 HD2 TYR A 79 10.171 -2.719 -10.290 1.00 33.34 H new ATOM 0 HE1 TYR A 79 7.708 1.070 -12.231 1.00 31.43 H new ATOM 0 HE2 TYR A 79 9.156 -2.932 -12.515 1.00 3.24 H new ATOM 0 HH TYR A 79 7.978 -1.957 -14.110 1.00 63.50 H new ATOM 1253 N ASN A 80 9.487 -2.181 -6.046 1.00 44.42 N ATOM 1254 CA ASN A 80 9.135 -3.434 -5.387 1.00 34.34 C ATOM 1255 C ASN A 80 7.783 -3.323 -4.692 1.00 42.24 C ATOM 1256 O ASN A 80 6.824 -4.003 -5.059 1.00 31.02 O ATOM 1257 CB ASN A 80 10.214 -3.820 -4.374 1.00 44.02 C ATOM 1258 CG ASN A 80 11.172 -4.863 -4.916 1.00 14.45 C ATOM 1259 OD1 ASN A 80 11.448 -5.868 -4.264 1.00 74.13 O ATOM 1260 ND2 ASN A 80 11.685 -4.625 -6.118 1.00 60.10 N ATOM 0 H ASN A 80 10.409 -1.820 -5.802 1.00 44.42 H new ATOM 0 HA ASN A 80 9.067 -4.211 -6.149 1.00 34.34 H new ATOM 0 HB2 ASN A 80 10.775 -2.930 -4.088 1.00 44.02 H new ATOM 0 HB3 ASN A 80 9.739 -4.202 -3.470 1.00 44.02 H new ATOM 0 HD21 ASN A 80 12.336 -5.290 -6.535 1.00 60.10 H new ATOM 0 HD22 ASN A 80 11.428 -3.777 -6.624 1.00 60.10 H new ATOM 1267 N THR A 81 7.712 -2.460 -3.683 1.00 71.24 N ATOM 1268 CA THR A 81 6.477 -2.260 -2.934 1.00 52.52 C ATOM 1269 C THR A 81 5.352 -1.784 -3.845 1.00 11.11 C ATOM 1270 O THR A 81 4.277 -2.382 -3.885 1.00 70.44 O ATOM 1271 CB THR A 81 6.670 -1.237 -1.797 1.00 21.13 C ATOM 1272 OG1 THR A 81 7.644 -1.718 -0.864 1.00 22.34 O ATOM 1273 CG2 THR A 81 5.355 -0.977 -1.077 1.00 51.31 C ATOM 0 H THR A 81 8.495 -1.888 -3.366 1.00 71.24 H new ATOM 0 HA THR A 81 6.208 -3.225 -2.504 1.00 52.52 H new ATOM 0 HB THR A 81 7.019 -0.302 -2.234 1.00 21.13 H new ATOM 0 HG1 THR A 81 7.762 -1.061 -0.146 1.00 22.34 H new ATOM 0 HG21 THR A 81 5.514 -0.252 -0.279 1.00 51.31 H new ATOM 0 HG22 THR A 81 4.625 -0.583 -1.784 1.00 51.31 H new ATOM 0 HG23 THR A 81 4.982 -1.909 -0.652 1.00 51.31 H new ATOM 1281 N ILE A 82 5.607 -0.704 -4.577 1.00 11.12 N ATOM 1282 CA ILE A 82 4.615 -0.150 -5.490 1.00 11.24 C ATOM 1283 C ILE A 82 3.940 -1.249 -6.302 1.00 21.51 C ATOM 1284 O ILE A 82 2.714 -1.296 -6.405 1.00 54.22 O ATOM 1285 CB ILE A 82 5.247 0.871 -6.455 1.00 34.21 C ATOM 1286 CG1 ILE A 82 5.841 2.044 -5.674 1.00 54.33 C ATOM 1287 CG2 ILE A 82 4.213 1.363 -7.457 1.00 63.31 C ATOM 1288 CD1 ILE A 82 6.840 2.856 -6.469 1.00 2.32 C ATOM 0 H ILE A 82 6.491 -0.196 -4.555 1.00 11.12 H new ATOM 0 HA ILE A 82 3.869 0.355 -4.876 1.00 11.24 H new ATOM 0 HB ILE A 82 6.051 0.381 -7.004 1.00 34.21 H new ATOM 0 HG12 ILE A 82 5.033 2.698 -5.346 1.00 54.33 H new ATOM 0 HG13 ILE A 82 6.327 1.663 -4.776 1.00 54.33 H new ATOM 0 HG21 ILE A 82 4.675 2.084 -8.132 1.00 63.31 H new ATOM 0 HG22 ILE A 82 3.833 0.519 -8.032 1.00 63.31 H new ATOM 0 HG23 ILE A 82 3.389 1.840 -6.926 1.00 63.31 H new ATOM 0 HD11 ILE A 82 7.220 3.671 -5.852 1.00 2.32 H new ATOM 0 HD12 ILE A 82 7.668 2.216 -6.775 1.00 2.32 H new ATOM 0 HD13 ILE A 82 6.353 3.267 -7.353 1.00 2.32 H new ATOM 1300 N ALA A 83 4.747 -2.135 -6.875 1.00 31.43 N ATOM 1301 CA ALA A 83 4.228 -3.237 -7.675 1.00 61.44 C ATOM 1302 C ALA A 83 3.119 -3.978 -6.935 1.00 11.42 C ATOM 1303 O ALA A 83 2.002 -4.106 -7.436 1.00 34.32 O ATOM 1304 CB ALA A 83 5.350 -4.197 -8.044 1.00 73.31 C ATOM 0 H ALA A 83 5.764 -2.111 -6.800 1.00 31.43 H new ATOM 0 HA ALA A 83 3.805 -2.821 -8.589 1.00 61.44 H new ATOM 0 HB1 ALA A 83 4.947 -5.015 -8.641 1.00 73.31 H new ATOM 0 HB2 ALA A 83 6.108 -3.666 -8.620 1.00 73.31 H new ATOM 0 HB3 ALA A 83 5.799 -4.598 -7.135 1.00 73.31 H new ATOM 1310 N VAL A 84 3.434 -4.464 -5.738 1.00 2.42 N ATOM 1311 CA VAL A 84 2.464 -5.191 -4.928 1.00 3.55 C ATOM 1312 C VAL A 84 1.150 -4.425 -4.827 1.00 4.41 C ATOM 1313 O VAL A 84 0.070 -5.001 -4.968 1.00 74.32 O ATOM 1314 CB VAL A 84 3.002 -5.455 -3.510 1.00 73.10 C ATOM 1315 CG1 VAL A 84 2.031 -6.320 -2.722 1.00 2.23 C ATOM 1316 CG2 VAL A 84 4.376 -6.106 -3.575 1.00 74.44 C ATOM 0 H VAL A 84 4.354 -4.367 -5.308 1.00 2.42 H new ATOM 0 HA VAL A 84 2.288 -6.145 -5.425 1.00 3.55 H new ATOM 0 HB VAL A 84 3.101 -4.500 -2.994 1.00 73.10 H new ATOM 0 HG11 VAL A 84 2.429 -6.496 -1.722 1.00 2.23 H new ATOM 0 HG12 VAL A 84 1.070 -5.811 -2.646 1.00 2.23 H new ATOM 0 HG13 VAL A 84 1.897 -7.274 -3.232 1.00 2.23 H new ATOM 0 HG21 VAL A 84 4.742 -6.286 -2.564 1.00 74.44 H new ATOM 0 HG22 VAL A 84 4.305 -7.054 -4.109 1.00 74.44 H new ATOM 0 HG23 VAL A 84 5.067 -5.446 -4.099 1.00 74.44 H new ATOM 1326 N LEU A 85 1.247 -3.123 -4.582 1.00 71.55 N ATOM 1327 CA LEU A 85 0.065 -2.277 -4.461 1.00 42.20 C ATOM 1328 C LEU A 85 -0.799 -2.366 -5.715 1.00 52.20 C ATOM 1329 O LEU A 85 -1.960 -2.770 -5.654 1.00 51.01 O ATOM 1330 CB LEU A 85 0.477 -0.824 -4.213 1.00 62.44 C ATOM 1331 CG LEU A 85 -0.003 -0.205 -2.899 1.00 31.33 C ATOM 1332 CD1 LEU A 85 1.180 0.274 -2.072 1.00 22.10 C ATOM 1333 CD2 LEU A 85 -0.966 0.941 -3.170 1.00 15.23 C ATOM 0 H LEU A 85 2.132 -2.630 -4.463 1.00 71.55 H new ATOM 0 HA LEU A 85 -0.521 -2.632 -3.613 1.00 42.20 H new ATOM 0 HB2 LEU A 85 1.565 -0.766 -4.243 1.00 62.44 H new ATOM 0 HB3 LEU A 85 0.103 -0.216 -5.036 1.00 62.44 H new ATOM 0 HG LEU A 85 -0.532 -0.970 -2.330 1.00 31.33 H new ATOM 0 HD11 LEU A 85 0.820 0.711 -1.141 1.00 22.10 H new ATOM 0 HD12 LEU A 85 1.833 -0.570 -1.848 1.00 22.10 H new ATOM 0 HD13 LEU A 85 1.737 1.024 -2.634 1.00 22.10 H new ATOM 0 HD21 LEU A 85 -1.297 1.369 -2.224 1.00 15.23 H new ATOM 0 HD22 LEU A 85 -0.463 1.708 -3.759 1.00 15.23 H new ATOM 0 HD23 LEU A 85 -1.829 0.568 -3.721 1.00 15.23 H new ATOM 1345 N TYR A 86 -0.223 -1.987 -6.851 1.00 53.30 N ATOM 1346 CA TYR A 86 -0.940 -2.023 -8.119 1.00 11.34 C ATOM 1347 C TYR A 86 -1.600 -3.382 -8.334 1.00 74.31 C ATOM 1348 O TYR A 86 -2.796 -3.467 -8.613 1.00 43.03 O ATOM 1349 CB TYR A 86 0.013 -1.719 -9.277 1.00 5.52 C ATOM 1350 CG TYR A 86 -0.638 -1.815 -10.639 1.00 51.22 C ATOM 1351 CD1 TYR A 86 -1.558 -0.863 -11.059 1.00 21.32 C ATOM 1352 CD2 TYR A 86 -0.330 -2.856 -11.505 1.00 62.22 C ATOM 1353 CE1 TYR A 86 -2.156 -0.947 -12.302 1.00 23.23 C ATOM 1354 CE2 TYR A 86 -0.921 -2.949 -12.750 1.00 42.40 C ATOM 1355 CZ TYR A 86 -1.834 -1.992 -13.144 1.00 15.31 C ATOM 1356 OH TYR A 86 -2.426 -2.079 -14.383 1.00 53.21 O ATOM 0 H TYR A 86 0.738 -1.652 -6.919 1.00 53.30 H new ATOM 0 HA TYR A 86 -1.719 -1.261 -8.088 1.00 11.34 H new ATOM 0 HB2 TYR A 86 0.420 -0.716 -9.148 1.00 5.52 H new ATOM 0 HB3 TYR A 86 0.854 -2.412 -9.236 1.00 5.52 H new ATOM 0 HD1 TYR A 86 -1.810 -0.043 -10.403 1.00 21.32 H new ATOM 0 HD2 TYR A 86 0.384 -3.606 -11.200 1.00 62.22 H new ATOM 0 HE1 TYR A 86 -2.871 -0.199 -12.613 1.00 23.23 H new ATOM 0 HE2 TYR A 86 -0.670 -3.765 -13.411 1.00 42.40 H new ATOM 0 HH TYR A 86 -2.090 -2.872 -14.851 1.00 53.21 H new ATOM 1366 N CYS A 87 -0.810 -4.442 -8.202 1.00 64.24 N ATOM 1367 CA CYS A 87 -1.316 -5.799 -8.381 1.00 64.12 C ATOM 1368 C CYS A 87 -2.547 -6.039 -7.512 1.00 40.11 C ATOM 1369 O CYS A 87 -3.611 -6.404 -8.012 1.00 62.22 O ATOM 1370 CB CYS A 87 -0.230 -6.820 -8.040 1.00 11.21 C ATOM 1371 SG CYS A 87 0.923 -7.150 -9.393 1.00 63.04 S ATOM 0 H CYS A 87 0.182 -4.388 -7.972 1.00 64.24 H new ATOM 0 HA CYS A 87 -1.602 -5.919 -9.426 1.00 64.12 H new ATOM 0 HB2 CYS A 87 0.332 -6.462 -7.177 1.00 11.21 H new ATOM 0 HB3 CYS A 87 -0.705 -7.756 -7.746 1.00 11.21 H new ATOM 0 HG CYS A 87 2.087 -6.650 -9.103 1.00 63.04 H new ATOM 1377 N VAL A 88 -2.394 -5.833 -6.208 1.00 25.23 N ATOM 1378 CA VAL A 88 -3.492 -6.027 -5.269 1.00 5.00 C ATOM 1379 C VAL A 88 -4.761 -5.334 -5.755 1.00 33.40 C ATOM 1380 O VAL A 88 -5.825 -5.947 -5.831 1.00 25.15 O ATOM 1381 CB VAL A 88 -3.135 -5.496 -3.869 1.00 43.35 C ATOM 1382 CG1 VAL A 88 -4.345 -5.557 -2.948 1.00 1.25 C ATOM 1383 CG2 VAL A 88 -1.970 -6.279 -3.283 1.00 42.53 C ATOM 0 H VAL A 88 -1.520 -5.532 -5.778 1.00 25.23 H new ATOM 0 HA VAL A 88 -3.668 -7.101 -5.208 1.00 5.00 H new ATOM 0 HB VAL A 88 -2.832 -4.453 -3.963 1.00 43.35 H new ATOM 0 HG11 VAL A 88 -4.072 -5.177 -1.963 1.00 1.25 H new ATOM 0 HG12 VAL A 88 -5.148 -4.948 -3.362 1.00 1.25 H new ATOM 0 HG13 VAL A 88 -4.682 -6.590 -2.858 1.00 1.25 H new ATOM 0 HG21 VAL A 88 -1.731 -5.890 -2.293 1.00 42.53 H new ATOM 0 HG22 VAL A 88 -2.242 -7.331 -3.203 1.00 42.53 H new ATOM 0 HG23 VAL A 88 -1.100 -6.178 -3.932 1.00 42.53 H new ATOM 1393 N HIS A 89 -4.639 -4.053 -6.085 1.00 50.53 N ATOM 1394 CA HIS A 89 -5.775 -3.274 -6.566 1.00 31.10 C ATOM 1395 C HIS A 89 -6.399 -3.928 -7.795 1.00 23.32 C ATOM 1396 O HIS A 89 -7.627 -4.007 -7.832 1.00 54.13 O ATOM 1397 CB HIS A 89 -5.339 -1.847 -6.900 1.00 70.05 C ATOM 1398 CG HIS A 89 -5.066 -1.006 -5.691 1.00 52.35 C ATOM 1399 ND1 HIS A 89 -5.763 -1.140 -4.508 1.00 55.23 N ATOM 1400 CD2 HIS A 89 -4.165 -0.017 -5.484 1.00 24.33 C ATOM 1401 CE1 HIS A 89 -5.302 -0.268 -3.628 1.00 23.42 C ATOM 1402 NE2 HIS A 89 -4.332 0.425 -4.196 1.00 34.41 N ATOM 0 H HIS A 89 -3.764 -3.531 -6.028 1.00 50.53 H new ATOM 0 HA HIS A 89 -6.522 -3.241 -5.773 1.00 31.10 H new ATOM 0 HB2 HIS A 89 -4.441 -1.885 -7.516 1.00 70.05 H new ATOM 0 HB3 HIS A 89 -6.115 -1.369 -7.497 1.00 70.05 H new ATOM 0 HD2 HIS A 89 -3.447 0.355 -6.200 1.00 24.33 H new ATOM 0 HE1 HIS A 89 -5.658 -0.143 -2.616 1.00 23.42 H new ATOM 0 HE2 HIS A 89 -3.794 1.168 -3.750 1.00 34.41 H new ATOM 1411 N GLN A 90 -5.614 -4.384 -8.767 1.00 4.33 N ATOM 1412 CA GLN A 90 -6.165 -5.015 -9.961 1.00 44.43 C ATOM 1413 C GLN A 90 -6.682 -6.415 -9.646 1.00 72.12 C ATOM 1414 O GLN A 90 -6.997 -7.189 -10.551 1.00 43.44 O ATOM 1415 CB GLN A 90 -5.107 -5.084 -11.062 1.00 41.21 C ATOM 1416 CG GLN A 90 -5.301 -4.048 -12.158 1.00 25.11 C ATOM 1417 CD GLN A 90 -6.624 -4.206 -12.882 1.00 42.15 C ATOM 1418 OE1 GLN A 90 -7.420 -3.269 -12.956 1.00 60.05 O ATOM 1419 NE2 GLN A 90 -6.866 -5.395 -13.421 1.00 11.33 N ATOM 0 H GLN A 90 -4.596 -4.328 -8.751 1.00 4.33 H new ATOM 0 HA GLN A 90 -7.001 -4.408 -10.310 1.00 44.43 H new ATOM 0 HB2 GLN A 90 -4.121 -4.949 -10.616 1.00 41.21 H new ATOM 0 HB3 GLN A 90 -5.122 -6.079 -11.507 1.00 41.21 H new ATOM 0 HG2 GLN A 90 -5.246 -3.050 -11.723 1.00 25.11 H new ATOM 0 HG3 GLN A 90 -4.486 -4.128 -12.877 1.00 25.11 H new ATOM 0 HE21 GLN A 90 -6.178 -6.143 -13.336 1.00 11.33 H new ATOM 0 HE22 GLN A 90 -7.740 -5.560 -13.921 1.00 11.33 H new ATOM 1428 N ARG A 91 -6.763 -6.735 -8.359 1.00 61.32 N ATOM 1429 CA ARG A 91 -7.239 -8.044 -7.926 1.00 73.00 C ATOM 1430 C ARG A 91 -6.077 -9.022 -7.772 1.00 1.41 C ATOM 1431 O ARG A 91 -6.151 -9.969 -6.989 1.00 52.21 O ATOM 1432 CB ARG A 91 -8.256 -8.597 -8.926 1.00 12.12 C ATOM 1433 CG ARG A 91 -9.264 -9.550 -8.305 1.00 35.42 C ATOM 1434 CD ARG A 91 -10.458 -9.772 -9.221 1.00 40.33 C ATOM 1435 NE ARG A 91 -11.714 -9.390 -8.582 1.00 4.33 N ATOM 1436 CZ ARG A 91 -12.911 -9.699 -9.070 1.00 34.53 C ATOM 1437 NH1 ARG A 91 -13.012 -10.392 -10.197 1.00 51.34 N ATOM 1438 NH2 ARG A 91 -14.009 -9.316 -8.432 1.00 13.04 N ATOM 0 H ARG A 91 -6.505 -6.107 -7.598 1.00 61.32 H new ATOM 0 HA ARG A 91 -7.722 -7.924 -6.956 1.00 73.00 H new ATOM 0 HB2 ARG A 91 -8.790 -7.765 -9.386 1.00 12.12 H new ATOM 0 HB3 ARG A 91 -7.724 -9.114 -9.724 1.00 12.12 H new ATOM 0 HG2 ARG A 91 -8.782 -10.505 -8.095 1.00 35.42 H new ATOM 0 HG3 ARG A 91 -9.606 -9.149 -7.351 1.00 35.42 H new ATOM 0 HD2 ARG A 91 -10.326 -9.194 -10.136 1.00 40.33 H new ATOM 0 HD3 ARG A 91 -10.503 -10.822 -9.511 1.00 40.33 H new ATOM 0 HE ARG A 91 -11.670 -8.857 -7.714 1.00 4.33 H new ATOM 0 HH11 ARG A 91 -12.170 -10.689 -10.690 1.00 51.34 H new ATOM 0 HH12 ARG A 91 -13.932 -10.628 -10.570 1.00 51.34 H new ATOM 0 HH21 ARG A 91 -13.936 -8.783 -7.565 1.00 13.04 H new ATOM 0 HH22 ARG A 91 -14.927 -9.554 -8.808 1.00 13.04 H new ATOM 1452 N ILE A 92 -5.008 -8.784 -8.524 1.00 71.21 N ATOM 1453 CA ILE A 92 -3.831 -9.643 -8.470 1.00 3.42 C ATOM 1454 C ILE A 92 -3.389 -9.880 -7.031 1.00 44.32 C ATOM 1455 O ILE A 92 -3.077 -8.937 -6.303 1.00 62.51 O ATOM 1456 CB ILE A 92 -2.657 -9.040 -9.263 1.00 2.34 C ATOM 1457 CG1 ILE A 92 -3.076 -8.769 -10.710 1.00 61.10 C ATOM 1458 CG2 ILE A 92 -1.455 -9.970 -9.220 1.00 41.12 C ATOM 1459 CD1 ILE A 92 -2.841 -7.341 -11.151 1.00 63.04 C ATOM 0 H ILE A 92 -4.932 -8.004 -9.177 1.00 71.21 H new ATOM 0 HA ILE A 92 -4.114 -10.594 -8.922 1.00 3.42 H new ATOM 0 HB ILE A 92 -2.376 -8.093 -8.802 1.00 2.34 H new ATOM 0 HG12 ILE A 92 -2.526 -9.440 -11.370 1.00 61.10 H new ATOM 0 HG13 ILE A 92 -4.134 -9.006 -10.824 1.00 61.10 H new ATOM 0 HG21 ILE A 92 -0.634 -9.529 -9.785 1.00 41.12 H new ATOM 0 HG22 ILE A 92 -1.146 -10.117 -8.185 1.00 41.12 H new ATOM 0 HG23 ILE A 92 -1.723 -10.931 -9.659 1.00 41.12 H new ATOM 0 HD11 ILE A 92 -3.161 -7.223 -12.186 1.00 63.04 H new ATOM 0 HD12 ILE A 92 -3.412 -6.665 -10.515 1.00 63.04 H new ATOM 0 HD13 ILE A 92 -1.780 -7.105 -11.070 1.00 63.04 H new ATOM 1471 N ASP A 93 -3.363 -11.145 -6.626 1.00 12.24 N ATOM 1472 CA ASP A 93 -2.956 -11.507 -5.273 1.00 11.13 C ATOM 1473 C ASP A 93 -1.643 -12.283 -5.290 1.00 33.14 C ATOM 1474 O ASP A 93 -1.496 -13.290 -4.598 1.00 74.12 O ATOM 1475 CB ASP A 93 -4.045 -12.339 -4.595 1.00 63.23 C ATOM 1476 CG ASP A 93 -5.407 -11.677 -4.665 1.00 11.31 C ATOM 1477 OD1 ASP A 93 -5.504 -10.482 -4.317 1.00 43.32 O ATOM 1478 OD2 ASP A 93 -6.376 -12.354 -5.069 1.00 45.14 O ATOM 0 H ASP A 93 -3.619 -11.937 -7.215 1.00 12.24 H new ATOM 0 HA ASP A 93 -2.807 -10.587 -4.707 1.00 11.13 H new ATOM 0 HB2 ASP A 93 -4.096 -13.320 -5.068 1.00 63.23 H new ATOM 0 HB3 ASP A 93 -3.777 -12.502 -3.551 1.00 63.23 H new ATOM 1483 N VAL A 94 -0.690 -11.808 -6.088 1.00 64.40 N ATOM 1484 CA VAL A 94 0.610 -12.458 -6.196 1.00 1.20 C ATOM 1485 C VAL A 94 1.030 -13.072 -4.865 1.00 14.34 C ATOM 1486 O VAL A 94 0.718 -12.543 -3.798 1.00 0.33 O ATOM 1487 CB VAL A 94 1.696 -11.467 -6.657 1.00 3.23 C ATOM 1488 CG1 VAL A 94 1.414 -10.988 -8.073 1.00 72.21 C ATOM 1489 CG2 VAL A 94 1.786 -10.292 -5.696 1.00 2.22 C ATOM 0 H VAL A 94 -0.795 -10.976 -6.668 1.00 64.40 H new ATOM 0 HA VAL A 94 0.508 -13.247 -6.941 1.00 1.20 H new ATOM 0 HB VAL A 94 2.657 -11.981 -6.657 1.00 3.23 H new ATOM 0 HG11 VAL A 94 2.191 -10.289 -8.382 1.00 72.21 H new ATOM 0 HG12 VAL A 94 1.404 -11.842 -8.751 1.00 72.21 H new ATOM 0 HG13 VAL A 94 0.445 -10.490 -8.102 1.00 72.21 H new ATOM 0 HG21 VAL A 94 2.558 -9.602 -6.036 1.00 2.22 H new ATOM 0 HG22 VAL A 94 0.827 -9.776 -5.662 1.00 2.22 H new ATOM 0 HG23 VAL A 94 2.038 -10.655 -4.700 1.00 2.22 H new ATOM 1499 N LYS A 95 1.741 -14.192 -4.935 1.00 52.10 N ATOM 1500 CA LYS A 95 2.207 -14.879 -3.736 1.00 11.33 C ATOM 1501 C LYS A 95 3.537 -14.303 -3.261 1.00 41.40 C ATOM 1502 O LYS A 95 4.143 -14.811 -2.318 1.00 43.33 O ATOM 1503 CB LYS A 95 2.356 -16.378 -4.008 1.00 73.03 C ATOM 1504 CG LYS A 95 1.290 -17.226 -3.339 1.00 22.51 C ATOM 1505 CD LYS A 95 1.653 -18.701 -3.365 1.00 23.41 C ATOM 1506 CE LYS A 95 2.812 -19.007 -2.429 1.00 12.23 C ATOM 1507 NZ LYS A 95 3.023 -20.471 -2.267 1.00 31.42 N ATOM 0 H LYS A 95 2.007 -14.644 -5.810 1.00 52.10 H new ATOM 0 HA LYS A 95 1.466 -14.730 -2.951 1.00 11.33 H new ATOM 0 HB2 LYS A 95 2.322 -16.549 -5.084 1.00 73.03 H new ATOM 0 HB3 LYS A 95 3.337 -16.705 -3.664 1.00 73.03 H new ATOM 0 HG2 LYS A 95 1.160 -16.901 -2.307 1.00 22.51 H new ATOM 0 HG3 LYS A 95 0.335 -17.076 -3.843 1.00 22.51 H new ATOM 0 HD2 LYS A 95 0.786 -19.295 -3.078 1.00 23.41 H new ATOM 0 HD3 LYS A 95 1.918 -18.994 -4.381 1.00 23.41 H new ATOM 0 HE2 LYS A 95 3.722 -18.550 -2.817 1.00 12.23 H new ATOM 0 HE3 LYS A 95 2.620 -18.558 -1.455 1.00 12.23 H new ATOM 0 HZ1 LYS A 95 3.822 -20.637 -1.622 1.00 31.42 H new ATOM 0 HZ2 LYS A 95 2.163 -20.904 -1.873 1.00 31.42 H new ATOM 0 HZ3 LYS A 95 3.232 -20.896 -3.193 1.00 31.42 H new ATOM 1521 N ASP A 96 3.985 -13.239 -3.919 1.00 44.22 N ATOM 1522 CA ASP A 96 5.242 -12.592 -3.562 1.00 43.31 C ATOM 1523 C ASP A 96 5.515 -11.397 -4.470 1.00 11.21 C ATOM 1524 O ASP A 96 4.795 -11.163 -5.441 1.00 4.21 O ATOM 1525 CB ASP A 96 6.397 -13.590 -3.651 1.00 60.30 C ATOM 1526 CG ASP A 96 6.350 -14.418 -4.919 1.00 31.03 C ATOM 1527 OD1 ASP A 96 6.146 -13.833 -6.004 1.00 24.30 O ATOM 1528 OD2 ASP A 96 6.518 -15.652 -4.829 1.00 72.03 O ATOM 0 H ASP A 96 3.496 -12.806 -4.703 1.00 44.22 H new ATOM 0 HA ASP A 96 5.159 -12.234 -2.536 1.00 43.31 H new ATOM 0 HB2 ASP A 96 7.343 -13.051 -3.608 1.00 60.30 H new ATOM 0 HB3 ASP A 96 6.368 -14.253 -2.786 1.00 60.30 H new ATOM 1533 N THR A 97 6.560 -10.641 -4.146 1.00 2.34 N ATOM 1534 CA THR A 97 6.926 -9.468 -4.930 1.00 54.11 C ATOM 1535 C THR A 97 7.585 -9.870 -6.244 1.00 35.22 C ATOM 1536 O THR A 97 7.991 -9.017 -7.034 1.00 34.40 O ATOM 1537 CB THR A 97 7.883 -8.547 -4.150 1.00 63.42 C ATOM 1538 OG1 THR A 97 7.417 -8.383 -2.806 1.00 71.25 O ATOM 1539 CG2 THR A 97 7.994 -7.187 -4.823 1.00 71.02 C ATOM 0 H THR A 97 7.167 -10.820 -3.346 1.00 2.34 H new ATOM 0 HA THR A 97 6.003 -8.927 -5.139 1.00 54.11 H new ATOM 0 HB THR A 97 8.870 -9.010 -4.139 1.00 63.42 H new ATOM 0 HG1 THR A 97 8.160 -8.522 -2.183 1.00 71.25 H new ATOM 0 HG21 THR A 97 8.675 -6.554 -4.254 1.00 71.02 H new ATOM 0 HG22 THR A 97 8.376 -7.312 -5.836 1.00 71.02 H new ATOM 0 HG23 THR A 97 7.010 -6.719 -4.862 1.00 71.02 H new ATOM 1547 N LYS A 98 7.690 -11.175 -6.475 1.00 42.04 N ATOM 1548 CA LYS A 98 8.298 -11.691 -7.694 1.00 33.41 C ATOM 1549 C LYS A 98 7.289 -11.719 -8.837 1.00 62.43 C ATOM 1550 O LYS A 98 7.468 -11.047 -9.852 1.00 62.50 O ATOM 1551 CB LYS A 98 8.854 -13.098 -7.456 1.00 1.43 C ATOM 1552 CG LYS A 98 9.749 -13.596 -8.578 1.00 64.42 C ATOM 1553 CD LYS A 98 9.120 -14.769 -9.311 1.00 34.34 C ATOM 1554 CE LYS A 98 9.774 -14.994 -10.666 1.00 75.13 C ATOM 1555 NZ LYS A 98 8.842 -14.699 -11.789 1.00 35.12 N ATOM 0 H LYS A 98 7.361 -11.895 -5.832 1.00 42.04 H new ATOM 0 HA LYS A 98 9.116 -11.025 -7.971 1.00 33.41 H new ATOM 0 HB2 LYS A 98 9.418 -13.104 -6.523 1.00 1.43 H new ATOM 0 HB3 LYS A 98 8.023 -13.792 -7.331 1.00 1.43 H new ATOM 0 HG2 LYS A 98 9.938 -12.785 -9.281 1.00 64.42 H new ATOM 0 HG3 LYS A 98 10.714 -13.896 -8.170 1.00 64.42 H new ATOM 0 HD2 LYS A 98 9.214 -15.671 -8.706 1.00 34.34 H new ATOM 0 HD3 LYS A 98 8.054 -14.586 -9.446 1.00 34.34 H new ATOM 0 HE2 LYS A 98 10.658 -14.361 -10.752 1.00 75.13 H new ATOM 0 HE3 LYS A 98 10.113 -16.027 -10.738 1.00 75.13 H new ATOM 0 HZ1 LYS A 98 9.326 -14.865 -12.694 1.00 35.12 H new ATOM 0 HZ2 LYS A 98 8.010 -15.320 -11.722 1.00 35.12 H new ATOM 0 HZ3 LYS A 98 8.538 -13.706 -11.736 1.00 35.12 H new ATOM 1569 N GLU A 99 6.226 -12.500 -8.662 1.00 3.53 N ATOM 1570 CA GLU A 99 5.188 -12.613 -9.680 1.00 45.52 C ATOM 1571 C GLU A 99 4.432 -11.296 -9.835 1.00 43.04 C ATOM 1572 O GLU A 99 3.640 -11.128 -10.762 1.00 70.51 O ATOM 1573 CB GLU A 99 4.211 -13.736 -9.320 1.00 14.42 C ATOM 1574 CG GLU A 99 4.793 -15.128 -9.497 1.00 41.25 C ATOM 1575 CD GLU A 99 3.905 -16.209 -8.913 1.00 50.11 C ATOM 1576 OE1 GLU A 99 3.288 -15.964 -7.856 1.00 74.41 O ATOM 1577 OE2 GLU A 99 3.828 -17.301 -9.516 1.00 43.03 O ATOM 0 H GLU A 99 6.062 -13.062 -7.827 1.00 3.53 H new ATOM 0 HA GLU A 99 5.669 -12.849 -10.629 1.00 45.52 H new ATOM 0 HB2 GLU A 99 3.894 -13.613 -8.284 1.00 14.42 H new ATOM 0 HB3 GLU A 99 3.319 -13.643 -9.939 1.00 14.42 H new ATOM 0 HG2 GLU A 99 4.945 -15.322 -10.559 1.00 41.25 H new ATOM 0 HG3 GLU A 99 5.773 -15.171 -9.021 1.00 41.25 H new ATOM 1584 N ALA A 100 4.681 -10.366 -8.918 1.00 20.12 N ATOM 1585 CA ALA A 100 4.026 -9.065 -8.954 1.00 42.02 C ATOM 1586 C ALA A 100 4.831 -8.066 -9.778 1.00 31.33 C ATOM 1587 O ALA A 100 4.272 -7.299 -10.562 1.00 13.33 O ATOM 1588 CB ALA A 100 3.819 -8.540 -7.540 1.00 31.13 C ATOM 0 H ALA A 100 5.331 -10.490 -8.142 1.00 20.12 H new ATOM 0 HA ALA A 100 3.054 -9.189 -9.431 1.00 42.02 H new ATOM 0 HB1 ALA A 100 3.329 -7.567 -7.581 1.00 31.13 H new ATOM 0 HB2 ALA A 100 3.195 -9.237 -6.981 1.00 31.13 H new ATOM 0 HB3 ALA A 100 4.785 -8.439 -7.044 1.00 31.13 H new ATOM 1594 N LEU A 101 6.147 -8.081 -9.596 1.00 72.51 N ATOM 1595 CA LEU A 101 7.030 -7.176 -10.323 1.00 54.12 C ATOM 1596 C LEU A 101 7.083 -7.538 -11.804 1.00 64.43 C ATOM 1597 O LEU A 101 7.140 -6.662 -12.666 1.00 72.31 O ATOM 1598 CB LEU A 101 8.438 -7.217 -9.727 1.00 60.23 C ATOM 1599 CG LEU A 101 9.250 -5.925 -9.831 1.00 3.13 C ATOM 1600 CD1 LEU A 101 9.357 -5.478 -11.281 1.00 51.31 C ATOM 1601 CD2 LEU A 101 8.622 -4.832 -8.979 1.00 54.43 C ATOM 0 H LEU A 101 6.626 -8.710 -8.951 1.00 72.51 H new ATOM 0 HA LEU A 101 6.631 -6.166 -10.229 1.00 54.12 H new ATOM 0 HB2 LEU A 101 8.357 -7.488 -8.674 1.00 60.23 H new ATOM 0 HB3 LEU A 101 8.996 -8.014 -10.219 1.00 60.23 H new ATOM 0 HG LEU A 101 10.255 -6.118 -9.457 1.00 3.13 H new ATOM 0 HD11 LEU A 101 9.938 -4.557 -11.336 1.00 51.31 H new ATOM 0 HD12 LEU A 101 9.851 -6.254 -11.866 1.00 51.31 H new ATOM 0 HD13 LEU A 101 8.359 -5.302 -11.682 1.00 51.31 H new ATOM 0 HD21 LEU A 101 9.212 -3.920 -9.065 1.00 54.43 H new ATOM 0 HD22 LEU A 101 7.606 -4.640 -9.324 1.00 54.43 H new ATOM 0 HD23 LEU A 101 8.597 -5.152 -7.937 1.00 54.43 H new ATOM 1613 N ASP A 102 7.060 -8.836 -12.091 1.00 42.01 N ATOM 1614 CA ASP A 102 7.101 -9.314 -13.468 1.00 63.23 C ATOM 1615 C ASP A 102 5.763 -9.082 -14.164 1.00 63.30 C ATOM 1616 O ASP A 102 5.712 -8.558 -15.277 1.00 53.20 O ATOM 1617 CB ASP A 102 7.456 -10.802 -13.502 1.00 12.33 C ATOM 1618 CG ASP A 102 7.211 -11.424 -14.862 1.00 4.13 C ATOM 1619 OD1 ASP A 102 7.818 -10.955 -15.849 1.00 45.50 O ATOM 1620 OD2 ASP A 102 6.413 -12.382 -14.941 1.00 74.11 O ATOM 0 H ASP A 102 7.013 -9.574 -11.389 1.00 42.01 H new ATOM 0 HA ASP A 102 7.869 -8.752 -14.000 1.00 63.23 H new ATOM 0 HB2 ASP A 102 8.504 -10.929 -13.231 1.00 12.33 H new ATOM 0 HB3 ASP A 102 6.867 -11.330 -12.752 1.00 12.33 H new