USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 808 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 157:sc= 0.918 USER MOD Set 1.2: A 97 THR OG1 : rot 133:sc= 0.962 USER MOD Set 2.1: A 27 LYS NZ :NH3+ 157:sc= -0.306 (180deg=0) USER MOD Set 2.2: A 33 HIS : no HD1:sc= -3.54! C(o=-3.8!,f=-10!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 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 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ -132:sc= -0.529 (180deg=-2.66!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0.777 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot 130:sc= -0.352 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.0085) USER MOD Single : A 59 LYS NZ :NH3+ -148:sc= 0.346 (180deg=0.0791) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 41:sc= 0.517 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.0147 X(o=-0.015,f=-0.015) USER MOD Single : A 76 LYS NZ :NH3+ -159:sc= 0.182 (180deg=0.0482) USER MOD Single : A 77 SER OG : rot 81:sc= 0.131 USER MOD Single : A 80 ASN : amide:sc= -1.49 K(o=-1.5,f=-0.87) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot 115:sc= -0.828 USER MOD Single : A 87 CYS SG : rot 100:sc= -1.22 USER MOD Single : A 89 HIS : no HD1:sc= 1.11 K(o=1.1,f=-3.9!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 HIS : no HD1:sc= -0.952 K(o=-0.95,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 177 N ALA A 13 -4.423 2.557 3.975 1.00 30.11 N ATOM 178 CA ALA A 13 -3.647 1.656 4.818 1.00 52.13 C ATOM 179 C ALA A 13 -4.538 0.594 5.454 1.00 4.34 C ATOM 180 O ALA A 13 -4.136 -0.560 5.603 1.00 3.30 O ATOM 181 CB ALA A 13 -2.911 2.443 5.893 1.00 62.24 C ATOM 0 HA ALA A 13 -2.916 1.149 4.188 1.00 52.13 H new ATOM 0 HB1 ALA A 13 -2.335 1.758 6.516 1.00 62.24 H new ATOM 0 HB2 ALA A 13 -2.237 3.159 5.423 1.00 62.24 H new ATOM 0 HB3 ALA A 13 -3.633 2.976 6.512 1.00 62.24 H new ATOM 187 N ASP A 14 -5.750 0.992 5.827 1.00 53.01 N ATOM 188 CA ASP A 14 -6.699 0.075 6.446 1.00 64.45 C ATOM 189 C ASP A 14 -6.972 -1.121 5.537 1.00 73.23 C ATOM 190 O ASP A 14 -7.393 -2.180 6.000 1.00 10.23 O ATOM 191 CB ASP A 14 -8.008 0.798 6.764 1.00 72.13 C ATOM 192 CG ASP A 14 -8.188 1.044 8.249 1.00 23.44 C ATOM 193 OD1 ASP A 14 -8.484 0.075 8.980 1.00 4.52 O ATOM 194 OD2 ASP A 14 -8.032 2.205 8.681 1.00 40.21 O ATOM 0 H ASP A 14 -6.098 1.944 5.711 1.00 53.01 H new ATOM 0 HA ASP A 14 -6.260 -0.289 7.375 1.00 64.45 H new ATOM 0 HB2 ASP A 14 -8.031 1.751 6.236 1.00 72.13 H new ATOM 0 HB3 ASP A 14 -8.845 0.207 6.392 1.00 72.13 H new ATOM 199 N GLU A 15 -6.728 -0.941 4.243 1.00 70.43 N ATOM 200 CA GLU A 15 -6.949 -2.005 3.270 1.00 4.52 C ATOM 201 C GLU A 15 -5.635 -2.685 2.900 1.00 11.25 C ATOM 202 O GLU A 15 -5.595 -3.891 2.653 1.00 23.21 O ATOM 203 CB GLU A 15 -7.618 -1.444 2.013 1.00 60.53 C ATOM 204 CG GLU A 15 -9.136 -1.502 2.054 1.00 1.25 C ATOM 205 CD GLU A 15 -9.770 -0.127 2.136 1.00 63.22 C ATOM 206 OE1 GLU A 15 -9.590 0.668 1.190 1.00 21.33 O ATOM 207 OE2 GLU A 15 -10.447 0.154 3.147 1.00 45.14 O ATOM 0 H GLU A 15 -6.378 -0.070 3.844 1.00 70.43 H new ATOM 0 HA GLU A 15 -7.606 -2.747 3.723 1.00 4.52 H new ATOM 0 HB2 GLU A 15 -7.306 -0.409 1.877 1.00 60.53 H new ATOM 0 HB3 GLU A 15 -7.265 -2.000 1.145 1.00 60.53 H new ATOM 0 HG2 GLU A 15 -9.501 -2.014 1.163 1.00 1.25 H new ATOM 0 HG3 GLU A 15 -9.450 -2.095 2.913 1.00 1.25 H new ATOM 214 N LEU A 16 -4.561 -1.904 2.862 1.00 51.50 N ATOM 215 CA LEU A 16 -3.244 -2.430 2.521 1.00 43.45 C ATOM 216 C LEU A 16 -2.706 -3.317 3.640 1.00 12.41 C ATOM 217 O LEU A 16 -1.971 -4.271 3.388 1.00 61.44 O ATOM 218 CB LEU A 16 -2.269 -1.283 2.250 1.00 0.54 C ATOM 219 CG LEU A 16 -0.855 -1.687 1.834 1.00 72.50 C ATOM 220 CD1 LEU A 16 -0.004 -1.988 3.059 1.00 12.11 C ATOM 221 CD2 LEU A 16 -0.896 -2.891 0.903 1.00 61.12 C ATOM 0 H LEU A 16 -4.576 -0.904 3.063 1.00 51.50 H new ATOM 0 HA LEU A 16 -3.343 -3.034 1.619 1.00 43.45 H new ATOM 0 HB2 LEU A 16 -2.690 -0.652 1.467 1.00 0.54 H new ATOM 0 HB3 LEU A 16 -2.200 -0.671 3.149 1.00 0.54 H new ATOM 0 HG LEU A 16 -0.403 -0.853 1.298 1.00 72.50 H new ATOM 0 HD11 LEU A 16 0.999 -2.274 2.744 1.00 12.11 H new ATOM 0 HD12 LEU A 16 0.053 -1.101 3.690 1.00 12.11 H new ATOM 0 HD13 LEU A 16 -0.454 -2.805 3.623 1.00 12.11 H new ATOM 0 HD21 LEU A 16 0.120 -3.165 0.617 1.00 61.12 H new ATOM 0 HD22 LEU A 16 -1.368 -3.730 1.414 1.00 61.12 H new ATOM 0 HD23 LEU A 16 -1.469 -2.641 0.010 1.00 61.12 H new ATOM 233 N GLU A 17 -3.078 -2.994 4.874 1.00 52.11 N ATOM 234 CA GLU A 17 -2.633 -3.763 6.031 1.00 15.22 C ATOM 235 C GLU A 17 -3.413 -5.070 6.148 1.00 54.12 C ATOM 236 O GLU A 17 -3.126 -5.900 7.012 1.00 4.34 O ATOM 237 CB GLU A 17 -2.798 -2.941 7.311 1.00 73.34 C ATOM 238 CG GLU A 17 -1.797 -1.805 7.438 1.00 33.33 C ATOM 239 CD GLU A 17 -2.167 -0.819 8.529 1.00 33.21 C ATOM 240 OE1 GLU A 17 -2.714 -1.257 9.563 1.00 3.21 O ATOM 241 OE2 GLU A 17 -1.910 0.389 8.348 1.00 60.22 O ATOM 0 H GLU A 17 -3.686 -2.206 5.099 1.00 52.11 H new ATOM 0 HA GLU A 17 -1.578 -4.001 5.894 1.00 15.22 H new ATOM 0 HB2 GLU A 17 -3.807 -2.530 7.341 1.00 73.34 H new ATOM 0 HB3 GLU A 17 -2.697 -3.601 8.172 1.00 73.34 H new ATOM 0 HG2 GLU A 17 -0.810 -2.218 7.646 1.00 33.33 H new ATOM 0 HG3 GLU A 17 -1.728 -1.279 6.486 1.00 33.33 H new ATOM 248 N ARG A 18 -4.399 -5.243 5.275 1.00 25.43 N ATOM 249 CA ARG A 18 -5.221 -6.447 5.281 1.00 42.13 C ATOM 250 C ARG A 18 -4.774 -7.418 4.192 1.00 54.03 C ATOM 251 O ARG A 18 -5.071 -8.611 4.250 1.00 4.51 O ATOM 252 CB ARG A 18 -6.694 -6.085 5.083 1.00 21.44 C ATOM 253 CG ARG A 18 -7.263 -5.215 6.192 1.00 53.31 C ATOM 254 CD ARG A 18 -8.683 -4.771 5.879 1.00 54.24 C ATOM 255 NE ARG A 18 -9.665 -5.795 6.225 1.00 61.31 N ATOM 256 CZ ARG A 18 -10.978 -5.594 6.198 1.00 41.33 C ATOM 257 NH1 ARG A 18 -11.463 -4.411 5.845 1.00 23.44 N ATOM 258 NH2 ARG A 18 -11.808 -6.575 6.527 1.00 21.51 N ATOM 0 H ARG A 18 -4.648 -4.565 4.555 1.00 25.43 H new ATOM 0 HA ARG A 18 -5.100 -6.934 6.249 1.00 42.13 H new ATOM 0 HB2 ARG A 18 -6.807 -5.565 4.131 1.00 21.44 H new ATOM 0 HB3 ARG A 18 -7.279 -7.002 5.016 1.00 21.44 H new ATOM 0 HG2 ARG A 18 -7.252 -5.768 7.131 1.00 53.31 H new ATOM 0 HG3 ARG A 18 -6.629 -4.339 6.330 1.00 53.31 H new ATOM 0 HD2 ARG A 18 -8.906 -3.855 6.427 1.00 54.24 H new ATOM 0 HD3 ARG A 18 -8.764 -4.535 4.818 1.00 54.24 H new ATOM 0 HE ARG A 18 -9.324 -6.715 6.503 1.00 61.31 H new ATOM 0 HH11 ARG A 18 -10.828 -3.654 5.594 1.00 23.44 H new ATOM 0 HH12 ARG A 18 -12.471 -4.259 5.825 1.00 23.44 H new ATOM 0 HH21 ARG A 18 -11.438 -7.485 6.801 1.00 21.51 H new ATOM 0 HH22 ARG A 18 -12.816 -6.419 6.506 1.00 21.51 H new ATOM 272 N ILE A 19 -4.058 -6.897 3.202 1.00 33.24 N ATOM 273 CA ILE A 19 -3.569 -7.717 2.100 1.00 61.41 C ATOM 274 C ILE A 19 -2.457 -8.654 2.564 1.00 2.04 C ATOM 275 O ILE A 19 -1.413 -8.207 3.038 1.00 30.44 O ATOM 276 CB ILE A 19 -3.044 -6.849 0.942 1.00 35.24 C ATOM 277 CG1 ILE A 19 -4.141 -5.907 0.444 1.00 53.21 C ATOM 278 CG2 ILE A 19 -2.537 -7.728 -0.193 1.00 64.04 C ATOM 279 CD1 ILE A 19 -3.653 -4.894 -0.569 1.00 64.13 C ATOM 0 H ILE A 19 -3.803 -5.911 3.140 1.00 33.24 H new ATOM 0 HA ILE A 19 -4.414 -8.307 1.746 1.00 61.41 H new ATOM 0 HB ILE A 19 -2.212 -6.247 1.308 1.00 35.24 H new ATOM 0 HG12 ILE A 19 -4.942 -6.498 -0.001 1.00 53.21 H new ATOM 0 HG13 ILE A 19 -4.570 -5.379 1.296 1.00 53.21 H new ATOM 0 HG21 ILE A 19 -2.169 -7.099 -1.004 1.00 64.04 H new ATOM 0 HG22 ILE A 19 -1.728 -8.361 0.171 1.00 64.04 H new ATOM 0 HG23 ILE A 19 -3.351 -8.354 -0.560 1.00 64.04 H new ATOM 0 HD11 ILE A 19 -4.484 -4.260 -0.878 1.00 64.13 H new ATOM 0 HD12 ILE A 19 -2.873 -4.278 -0.121 1.00 64.13 H new ATOM 0 HD13 ILE A 19 -3.250 -5.414 -1.438 1.00 64.13 H new ATOM 291 N ARG A 20 -2.691 -9.955 2.421 1.00 34.14 N ATOM 292 CA ARG A 20 -1.709 -10.954 2.824 1.00 21.23 C ATOM 293 C ARG A 20 -0.760 -11.280 1.674 1.00 50.53 C ATOM 294 O ARG A 20 -1.195 -11.625 0.575 1.00 23.34 O ATOM 295 CB ARG A 20 -2.412 -12.230 3.295 1.00 13.52 C ATOM 296 CG ARG A 20 -1.472 -13.408 3.484 1.00 71.22 C ATOM 297 CD ARG A 20 -0.330 -13.064 4.427 1.00 22.41 C ATOM 298 NE ARG A 20 0.974 -13.252 3.798 1.00 75.11 N ATOM 299 CZ ARG A 20 1.844 -14.185 4.171 1.00 45.44 C ATOM 300 NH1 ARG A 20 1.549 -15.010 5.167 1.00 31.15 N ATOM 301 NH2 ARG A 20 3.012 -14.293 3.550 1.00 4.32 N ATOM 0 H ARG A 20 -3.550 -10.341 2.030 1.00 34.14 H new ATOM 0 HA ARG A 20 -1.126 -10.542 3.648 1.00 21.23 H new ATOM 0 HB2 ARG A 20 -2.921 -12.028 4.237 1.00 13.52 H new ATOM 0 HB3 ARG A 20 -3.179 -12.501 2.570 1.00 13.52 H new ATOM 0 HG2 ARG A 20 -2.028 -14.258 3.879 1.00 71.22 H new ATOM 0 HG3 ARG A 20 -1.069 -13.712 2.518 1.00 71.22 H new ATOM 0 HD2 ARG A 20 -0.429 -12.029 4.754 1.00 22.41 H new ATOM 0 HD3 ARG A 20 -0.396 -13.687 5.319 1.00 22.41 H new ATOM 0 HE ARG A 20 1.232 -12.633 3.029 1.00 75.11 H new ATOM 0 HH11 ARG A 20 0.653 -14.929 5.648 1.00 31.15 H new ATOM 0 HH12 ARG A 20 2.218 -15.725 5.452 1.00 31.15 H new ATOM 0 HH21 ARG A 20 3.243 -13.659 2.785 1.00 4.32 H new ATOM 0 HH22 ARG A 20 3.678 -15.010 3.838 1.00 4.32 H new ATOM 315 N LEU A 21 0.537 -11.165 1.934 1.00 74.45 N ATOM 316 CA LEU A 21 1.549 -11.447 0.921 1.00 52.11 C ATOM 317 C LEU A 21 1.306 -12.805 0.272 1.00 32.51 C ATOM 318 O LEU A 21 1.718 -13.045 -0.863 1.00 51.42 O ATOM 319 CB LEU A 21 2.946 -11.408 1.543 1.00 11.13 C ATOM 320 CG LEU A 21 3.458 -10.028 1.958 1.00 73.10 C ATOM 321 CD1 LEU A 21 4.228 -10.117 3.267 1.00 5.54 C ATOM 322 CD2 LEU A 21 4.330 -9.431 0.864 1.00 32.42 C ATOM 0 H LEU A 21 0.914 -10.878 2.838 1.00 74.45 H new ATOM 0 HA LEU A 21 1.480 -10.680 0.150 1.00 52.11 H new ATOM 0 HB2 LEU A 21 2.949 -12.054 2.421 1.00 11.13 H new ATOM 0 HB3 LEU A 21 3.651 -11.836 0.830 1.00 11.13 H new ATOM 0 HG LEU A 21 2.600 -9.373 2.108 1.00 73.10 H new ATOM 0 HD11 LEU A 21 4.585 -9.126 3.547 1.00 5.54 H new ATOM 0 HD12 LEU A 21 3.573 -10.501 4.049 1.00 5.54 H new ATOM 0 HD13 LEU A 21 5.078 -10.788 3.144 1.00 5.54 H new ATOM 0 HD21 LEU A 21 4.685 -8.449 1.177 1.00 32.42 H new ATOM 0 HD22 LEU A 21 5.183 -10.084 0.682 1.00 32.42 H new ATOM 0 HD23 LEU A 21 3.747 -9.331 -0.052 1.00 32.42 H new ATOM 334 N ARG A 22 0.633 -13.691 0.999 1.00 34.02 N ATOM 335 CA ARG A 22 0.334 -15.026 0.493 1.00 55.42 C ATOM 336 C ARG A 22 -1.165 -15.201 0.275 1.00 4.05 C ATOM 337 O ARG A 22 -1.977 -14.362 0.666 1.00 74.31 O ATOM 338 CB ARG A 22 0.847 -16.090 1.466 1.00 12.42 C ATOM 339 CG ARG A 22 2.137 -16.756 1.017 1.00 10.22 C ATOM 340 CD ARG A 22 2.410 -18.029 1.802 1.00 41.40 C ATOM 341 NE ARG A 22 3.696 -17.980 2.494 1.00 24.02 N ATOM 342 CZ ARG A 22 4.018 -18.781 3.503 1.00 63.52 C ATOM 343 NH1 ARG A 22 3.152 -19.688 3.936 1.00 13.20 N ATOM 344 NH2 ARG A 22 5.207 -18.676 4.081 1.00 33.22 N ATOM 0 H ARG A 22 0.284 -13.509 1.940 1.00 34.02 H new ATOM 0 HA ARG A 22 0.839 -15.146 -0.465 1.00 55.42 H new ATOM 0 HB2 ARG A 22 1.006 -15.631 2.442 1.00 12.42 H new ATOM 0 HB3 ARG A 22 0.080 -16.853 1.594 1.00 12.42 H new ATOM 0 HG2 ARG A 22 2.076 -16.989 -0.046 1.00 10.22 H new ATOM 0 HG3 ARG A 22 2.969 -16.063 1.145 1.00 10.22 H new ATOM 0 HD2 ARG A 22 1.613 -18.185 2.529 1.00 41.40 H new ATOM 0 HD3 ARG A 22 2.395 -18.883 1.125 1.00 41.40 H new ATOM 0 HE ARG A 22 4.384 -17.293 2.185 1.00 24.02 H new ATOM 0 HH11 ARG A 22 2.237 -19.771 3.494 1.00 13.20 H new ATOM 0 HH12 ARG A 22 3.402 -20.302 4.711 1.00 13.20 H new ATOM 0 HH21 ARG A 22 5.875 -17.980 3.751 1.00 33.22 H new ATOM 0 HH22 ARG A 22 5.453 -19.292 4.856 1.00 33.22 H new ATOM 358 N PRO A 23 -1.544 -16.318 -0.366 1.00 53.55 N ATOM 359 CA PRO A 23 -2.947 -16.629 -0.651 1.00 23.15 C ATOM 360 C PRO A 23 -3.734 -16.969 0.610 1.00 40.13 C ATOM 361 O PRO A 23 -4.869 -16.529 0.783 1.00 40.24 O ATOM 362 CB PRO A 23 -2.860 -17.849 -1.572 1.00 53.05 C ATOM 363 CG PRO A 23 -1.557 -18.485 -1.234 1.00 75.43 C ATOM 364 CD PRO A 23 -0.631 -17.361 -0.861 1.00 72.32 C ATOM 0 HA PRO A 23 -3.470 -15.781 -1.092 1.00 23.15 H new ATOM 0 HB2 PRO A 23 -3.691 -18.534 -1.402 1.00 53.05 H new ATOM 0 HB3 PRO A 23 -2.898 -17.557 -2.621 1.00 53.05 H new ATOM 0 HG2 PRO A 23 -1.669 -19.188 -0.409 1.00 75.43 H new ATOM 0 HG3 PRO A 23 -1.166 -19.048 -2.082 1.00 75.43 H new ATOM 0 HD2 PRO A 23 0.083 -17.666 -0.096 1.00 72.32 H new ATOM 0 HD3 PRO A 23 -0.053 -17.015 -1.718 1.00 72.32 H new ATOM 372 N GLY A 24 -3.122 -17.756 1.490 1.00 74.41 N ATOM 373 CA GLY A 24 -3.779 -18.141 2.724 1.00 64.14 C ATOM 374 C GLY A 24 -2.916 -17.891 3.944 1.00 74.21 C ATOM 375 O GLY A 24 -2.956 -18.653 4.910 1.00 4.42 O ATOM 0 H GLY A 24 -2.182 -18.134 1.369 1.00 74.41 H new ATOM 0 HA2 GLY A 24 -4.712 -17.586 2.823 1.00 64.14 H new ATOM 0 HA3 GLY A 24 -4.040 -19.198 2.678 1.00 64.14 H new ATOM 379 N GLY A 25 -2.129 -16.820 3.901 1.00 54.11 N ATOM 380 CA GLY A 25 -1.261 -16.492 5.017 1.00 34.43 C ATOM 381 C GLY A 25 -1.878 -15.471 5.952 1.00 25.02 C ATOM 382 O GLY A 25 -3.019 -15.049 5.757 1.00 30.55 O ATOM 0 H GLY A 25 -2.077 -16.174 3.113 1.00 54.11 H new ATOM 0 HA2 GLY A 25 -1.033 -17.400 5.575 1.00 34.43 H new ATOM 0 HA3 GLY A 25 -0.315 -16.106 4.636 1.00 34.43 H new ATOM 386 N LYS A 26 -1.125 -15.072 6.971 1.00 21.23 N ATOM 387 CA LYS A 26 -1.604 -14.095 7.941 1.00 1.21 C ATOM 388 C LYS A 26 -0.672 -12.891 8.006 1.00 13.43 C ATOM 389 O LYS A 26 -0.959 -11.904 8.685 1.00 24.42 O ATOM 390 CB LYS A 26 -1.724 -14.736 9.325 1.00 45.11 C ATOM 391 CG LYS A 26 -2.966 -15.594 9.492 1.00 71.22 C ATOM 392 CD LYS A 26 -3.941 -14.977 10.481 1.00 23.31 C ATOM 393 CE LYS A 26 -4.476 -13.645 9.977 1.00 45.15 C ATOM 394 NZ LYS A 26 -5.964 -13.644 9.886 1.00 73.23 N ATOM 0 H LYS A 26 -0.179 -15.411 7.147 1.00 21.23 H new ATOM 0 HA LYS A 26 -2.588 -13.753 7.619 1.00 1.21 H new ATOM 0 HB2 LYS A 26 -0.842 -15.349 9.510 1.00 45.11 H new ATOM 0 HB3 LYS A 26 -1.731 -13.950 10.081 1.00 45.11 H new ATOM 0 HG2 LYS A 26 -3.456 -15.719 8.526 1.00 71.22 H new ATOM 0 HG3 LYS A 26 -2.679 -16.588 9.835 1.00 71.22 H new ATOM 0 HD2 LYS A 26 -4.771 -15.663 10.652 1.00 23.31 H new ATOM 0 HD3 LYS A 26 -3.445 -14.832 11.441 1.00 23.31 H new ATOM 0 HE2 LYS A 26 -4.152 -12.847 10.645 1.00 45.15 H new ATOM 0 HE3 LYS A 26 -4.052 -13.431 8.996 1.00 45.15 H new ATOM 0 HZ1 LYS A 26 -6.290 -12.719 9.539 1.00 73.23 H new ATOM 0 HZ2 LYS A 26 -6.272 -14.389 9.229 1.00 73.23 H new ATOM 0 HZ3 LYS A 26 -6.369 -13.823 10.827 1.00 73.23 H new ATOM 408 N LYS A 27 0.447 -12.974 7.293 1.00 64.32 N ATOM 409 CA LYS A 27 1.422 -11.891 7.267 1.00 71.00 C ATOM 410 C LYS A 27 1.041 -10.842 6.228 1.00 14.00 C ATOM 411 O LYS A 27 1.469 -10.912 5.075 1.00 13.54 O ATOM 412 CB LYS A 27 2.818 -12.440 6.966 1.00 1.10 C ATOM 413 CG LYS A 27 3.942 -11.506 7.381 1.00 22.14 C ATOM 414 CD LYS A 27 4.916 -11.264 6.240 1.00 71.53 C ATOM 415 CE LYS A 27 6.359 -11.317 6.718 1.00 51.41 C ATOM 416 NZ LYS A 27 7.184 -10.237 6.109 1.00 43.35 N ATOM 0 H LYS A 27 0.701 -13.782 6.725 1.00 64.32 H new ATOM 0 HA LYS A 27 1.429 -11.418 8.249 1.00 71.00 H new ATOM 0 HB2 LYS A 27 2.942 -13.394 7.478 1.00 1.10 H new ATOM 0 HB3 LYS A 27 2.898 -12.639 5.897 1.00 1.10 H new ATOM 0 HG2 LYS A 27 3.523 -10.555 7.711 1.00 22.14 H new ATOM 0 HG3 LYS A 27 4.475 -11.932 8.231 1.00 22.14 H new ATOM 0 HD2 LYS A 27 4.761 -12.013 5.463 1.00 71.53 H new ATOM 0 HD3 LYS A 27 4.716 -10.292 5.790 1.00 71.53 H new ATOM 0 HE2 LYS A 27 6.386 -11.226 7.804 1.00 51.41 H new ATOM 0 HE3 LYS A 27 6.789 -12.287 6.469 1.00 51.41 H new ATOM 0 HZ1 LYS A 27 8.010 -10.049 6.712 1.00 43.35 H new ATOM 0 HZ2 LYS A 27 7.505 -10.535 5.166 1.00 43.35 H new ATOM 0 HZ3 LYS A 27 6.614 -9.371 6.023 1.00 43.35 H new ATOM 430 N LYS A 28 0.237 -9.870 6.643 1.00 12.44 N ATOM 431 CA LYS A 28 -0.199 -8.803 5.748 1.00 3.12 C ATOM 432 C LYS A 28 0.980 -7.938 5.317 1.00 2.40 C ATOM 433 O LYS A 28 2.070 -8.030 5.882 1.00 65.42 O ATOM 434 CB LYS A 28 -1.258 -7.936 6.433 1.00 64.31 C ATOM 435 CG LYS A 28 -0.848 -7.455 7.815 1.00 2.34 C ATOM 436 CD LYS A 28 -1.870 -7.848 8.868 1.00 25.42 C ATOM 437 CE LYS A 28 -2.100 -6.727 9.870 1.00 10.04 C ATOM 438 NZ LYS A 28 -3.538 -6.593 10.232 1.00 15.31 N ATOM 0 H LYS A 28 -0.127 -9.798 7.593 1.00 12.44 H new ATOM 0 HA LYS A 28 -0.633 -9.263 4.860 1.00 3.12 H new ATOM 0 HB2 LYS A 28 -1.470 -7.071 5.804 1.00 64.31 H new ATOM 0 HB3 LYS A 28 -2.184 -8.505 6.515 1.00 64.31 H new ATOM 0 HG2 LYS A 28 0.123 -7.876 8.074 1.00 2.34 H new ATOM 0 HG3 LYS A 28 -0.733 -6.371 7.805 1.00 2.34 H new ATOM 0 HD2 LYS A 28 -2.813 -8.103 8.384 1.00 25.42 H new ATOM 0 HD3 LYS A 28 -1.529 -8.741 9.392 1.00 25.42 H new ATOM 0 HE2 LYS A 28 -1.515 -6.919 10.770 1.00 10.04 H new ATOM 0 HE3 LYS A 28 -1.742 -5.787 9.451 1.00 10.04 H new ATOM 0 HZ1 LYS A 28 -3.653 -5.819 10.917 1.00 15.31 H new ATOM 0 HZ2 LYS A 28 -4.093 -6.385 9.378 1.00 15.31 H new ATOM 0 HZ3 LYS A 28 -3.874 -7.482 10.655 1.00 15.31 H new ATOM 452 N TYR A 29 0.755 -7.097 4.313 1.00 72.33 N ATOM 453 CA TYR A 29 1.801 -6.217 3.806 1.00 1.53 C ATOM 454 C TYR A 29 2.201 -5.185 4.856 1.00 33.22 C ATOM 455 O TYR A 29 1.381 -4.761 5.669 1.00 41.13 O ATOM 456 CB TYR A 29 1.327 -5.508 2.534 1.00 74.35 C ATOM 457 CG TYR A 29 1.597 -6.291 1.270 1.00 35.15 C ATOM 458 CD1 TYR A 29 2.818 -6.188 0.613 1.00 10.42 C ATOM 459 CD2 TYR A 29 0.633 -7.132 0.730 1.00 13.33 C ATOM 460 CE1 TYR A 29 3.069 -6.900 -0.544 1.00 55.51 C ATOM 461 CE2 TYR A 29 0.877 -7.849 -0.426 1.00 45.42 C ATOM 462 CZ TYR A 29 2.096 -7.729 -1.059 1.00 72.53 C ATOM 463 OH TYR A 29 2.342 -8.441 -2.211 1.00 4.42 O ATOM 0 H TYR A 29 -0.141 -7.006 3.835 1.00 72.33 H new ATOM 0 HA TYR A 29 2.673 -6.828 3.572 1.00 1.53 H new ATOM 0 HB2 TYR A 29 0.257 -5.317 2.612 1.00 74.35 H new ATOM 0 HB3 TYR A 29 1.820 -4.538 2.463 1.00 74.35 H new ATOM 0 HD1 TYR A 29 3.583 -5.540 1.014 1.00 10.42 H new ATOM 0 HD2 TYR A 29 -0.324 -7.227 1.222 1.00 13.33 H new ATOM 0 HE1 TYR A 29 4.023 -6.807 -1.042 1.00 55.51 H new ATOM 0 HE2 TYR A 29 0.117 -8.500 -0.832 1.00 45.42 H new ATOM 0 HH TYR A 29 1.749 -9.220 -2.247 1.00 4.42 H new ATOM 473 N ARG A 30 3.470 -4.788 4.831 1.00 3.40 N ATOM 474 CA ARG A 30 3.981 -3.806 5.781 1.00 22.22 C ATOM 475 C ARG A 30 4.892 -2.799 5.085 1.00 1.05 C ATOM 476 O ARG A 30 5.404 -3.059 3.995 1.00 11.03 O ATOM 477 CB ARG A 30 4.743 -4.506 6.907 1.00 75.41 C ATOM 478 CG ARG A 30 4.794 -3.704 8.198 1.00 33.32 C ATOM 479 CD ARG A 30 5.646 -4.397 9.250 1.00 62.23 C ATOM 480 NE ARG A 30 5.635 -3.678 10.522 1.00 60.51 N ATOM 481 CZ ARG A 30 6.069 -4.200 11.664 1.00 41.22 C ATOM 482 NH1 ARG A 30 6.545 -5.437 11.694 1.00 11.43 N ATOM 483 NH2 ARG A 30 6.027 -3.483 12.780 1.00 52.40 N ATOM 0 H ARG A 30 4.162 -5.131 4.164 1.00 3.40 H new ATOM 0 HA ARG A 30 3.132 -3.269 6.204 1.00 22.22 H new ATOM 0 HB2 ARG A 30 4.275 -5.470 7.106 1.00 75.41 H new ATOM 0 HB3 ARG A 30 5.761 -4.708 6.574 1.00 75.41 H new ATOM 0 HG2 ARG A 30 5.199 -2.712 7.996 1.00 33.32 H new ATOM 0 HG3 ARG A 30 3.783 -3.564 8.581 1.00 33.32 H new ATOM 0 HD2 ARG A 30 5.279 -5.412 9.404 1.00 62.23 H new ATOM 0 HD3 ARG A 30 6.671 -4.480 8.889 1.00 62.23 H new ATOM 0 HE ARG A 30 5.275 -2.724 10.534 1.00 60.51 H new ATOM 0 HH11 ARG A 30 6.579 -5.991 10.838 1.00 11.43 H new ATOM 0 HH12 ARG A 30 6.877 -5.834 12.573 1.00 11.43 H new ATOM 0 HH21 ARG A 30 5.661 -2.531 12.761 1.00 52.40 H new ATOM 0 HH22 ARG A 30 6.360 -3.884 13.657 1.00 52.40 H new ATOM 497 N LEU A 31 5.087 -1.649 5.720 1.00 31.14 N ATOM 498 CA LEU A 31 5.935 -0.602 5.161 1.00 53.15 C ATOM 499 C LEU A 31 7.272 -1.173 4.697 1.00 2.25 C ATOM 500 O LEU A 31 7.817 -0.752 3.676 1.00 74.54 O ATOM 501 CB LEU A 31 6.171 0.497 6.199 1.00 42.43 C ATOM 502 CG LEU A 31 5.275 1.731 6.085 1.00 21.24 C ATOM 503 CD1 LEU A 31 4.917 2.261 7.466 1.00 11.14 C ATOM 504 CD2 LEU A 31 5.956 2.811 5.257 1.00 20.31 C ATOM 0 H LEU A 31 4.670 -1.418 6.622 1.00 31.14 H new ATOM 0 HA LEU A 31 5.423 -0.176 4.298 1.00 53.15 H new ATOM 0 HB2 LEU A 31 6.038 0.066 7.191 1.00 42.43 H new ATOM 0 HB3 LEU A 31 7.210 0.819 6.128 1.00 42.43 H new ATOM 0 HG LEU A 31 4.354 1.441 5.580 1.00 21.24 H new ATOM 0 HD11 LEU A 31 4.279 3.139 7.365 1.00 11.14 H new ATOM 0 HD12 LEU A 31 4.387 1.490 8.025 1.00 11.14 H new ATOM 0 HD13 LEU A 31 5.828 2.534 7.998 1.00 11.14 H new ATOM 0 HD21 LEU A 31 5.303 3.681 5.187 1.00 20.31 H new ATOM 0 HD22 LEU A 31 6.893 3.098 5.733 1.00 20.31 H new ATOM 0 HD23 LEU A 31 6.160 2.429 4.257 1.00 20.31 H new ATOM 516 N LYS A 32 7.792 -2.135 5.451 1.00 51.41 N ATOM 517 CA LYS A 32 9.062 -2.768 5.115 1.00 55.52 C ATOM 518 C LYS A 32 9.061 -3.258 3.671 1.00 43.44 C ATOM 519 O LYS A 32 10.072 -3.165 2.973 1.00 24.33 O ATOM 520 CB LYS A 32 9.338 -3.938 6.062 1.00 52.11 C ATOM 521 CG LYS A 32 10.703 -3.874 6.726 1.00 34.20 C ATOM 522 CD LYS A 32 10.795 -2.714 7.703 1.00 1.12 C ATOM 523 CE LYS A 32 10.942 -3.202 9.136 1.00 72.20 C ATOM 524 NZ LYS A 32 11.190 -2.078 10.082 1.00 25.03 N ATOM 0 H LYS A 32 7.354 -2.494 6.299 1.00 51.41 H new ATOM 0 HA LYS A 32 9.851 -2.024 5.227 1.00 55.52 H new ATOM 0 HB2 LYS A 32 8.568 -3.959 6.834 1.00 52.11 H new ATOM 0 HB3 LYS A 32 9.257 -4.872 5.506 1.00 52.11 H new ATOM 0 HG2 LYS A 32 10.897 -4.809 7.251 1.00 34.20 H new ATOM 0 HG3 LYS A 32 11.475 -3.770 5.963 1.00 34.20 H new ATOM 0 HD2 LYS A 32 11.646 -2.085 7.443 1.00 1.12 H new ATOM 0 HD3 LYS A 32 9.902 -2.094 7.618 1.00 1.12 H new ATOM 0 HE2 LYS A 32 10.038 -3.734 9.433 1.00 72.20 H new ATOM 0 HE3 LYS A 32 11.765 -3.914 9.195 1.00 72.20 H new ATOM 0 HZ1 LYS A 32 11.284 -2.452 11.048 1.00 25.03 H new ATOM 0 HZ2 LYS A 32 12.066 -1.586 9.814 1.00 25.03 H new ATOM 0 HZ3 LYS A 32 10.393 -1.411 10.045 1.00 25.03 H new ATOM 538 N HIS A 33 7.921 -3.778 3.228 1.00 3.11 N ATOM 539 CA HIS A 33 7.787 -4.282 1.865 1.00 53.03 C ATOM 540 C HIS A 33 7.757 -3.131 0.863 1.00 73.00 C ATOM 541 O HIS A 33 8.336 -3.301 -0.211 1.00 70.23 O ATOM 542 CB HIS A 33 6.518 -5.124 1.731 1.00 12.40 C ATOM 543 CG HIS A 33 6.483 -6.305 2.651 1.00 72.24 C ATOM 544 ND1 HIS A 33 5.635 -6.391 3.734 1.00 71.44 N ATOM 545 CD2 HIS A 33 7.199 -7.454 2.644 1.00 33.51 C ATOM 546 CE1 HIS A 33 5.830 -7.542 4.353 1.00 55.12 C ATOM 547 NE2 HIS A 33 6.775 -8.205 3.711 1.00 61.31 N ATOM 0 H HIS A 33 7.076 -3.862 3.793 1.00 3.11 H new ATOM 0 HA HIS A 33 8.652 -4.908 1.648 1.00 53.03 H new ATOM 0 HB2 HIS A 33 5.651 -4.494 1.929 1.00 12.40 H new ATOM 0 HB3 HIS A 33 6.430 -5.473 0.702 1.00 12.40 H new ATOM 0 HD2 HIS A 33 7.962 -7.728 1.931 1.00 33.51 H new ATOM 0 HE1 HIS A 33 5.306 -7.883 5.234 1.00 55.12 H new ATOM 0 HE2 HIS A 33 7.132 -9.126 3.967 1.00 61.31 H new ATOM 555 N ILE A 34 7.121 -2.007 1.172 1.00 24.05 N ATOM 556 CA ILE A 34 7.066 -0.882 0.247 1.00 11.10 C ATOM 557 C ILE A 34 8.460 -0.326 -0.026 1.00 62.32 C ATOM 558 O ILE A 34 8.775 0.062 -1.151 1.00 34.55 O ATOM 559 CB ILE A 34 6.172 0.249 0.789 1.00 11.02 C ATOM 560 CG1 ILE A 34 4.819 -0.310 1.235 1.00 13.32 C ATOM 561 CG2 ILE A 34 5.983 1.327 -0.268 1.00 14.41 C ATOM 562 CD1 ILE A 34 3.861 0.751 1.730 1.00 41.43 C ATOM 0 H ILE A 34 6.636 -1.851 2.056 1.00 24.05 H new ATOM 0 HA ILE A 34 6.639 -1.258 -0.683 1.00 11.10 H new ATOM 0 HB ILE A 34 6.662 0.697 1.654 1.00 11.02 H new ATOM 0 HG12 ILE A 34 4.361 -0.841 0.400 1.00 13.32 H new ATOM 0 HG13 ILE A 34 4.980 -1.041 2.027 1.00 13.32 H new ATOM 0 HG21 ILE A 34 5.349 2.119 0.130 1.00 14.41 H new ATOM 0 HG22 ILE A 34 6.953 1.742 -0.542 1.00 14.41 H new ATOM 0 HG23 ILE A 34 5.511 0.893 -1.150 1.00 14.41 H new ATOM 0 HD11 ILE A 34 2.923 0.283 2.029 1.00 41.43 H new ATOM 0 HD12 ILE A 34 4.299 1.266 2.585 1.00 41.43 H new ATOM 0 HD13 ILE A 34 3.670 1.469 0.933 1.00 41.43 H new ATOM 574 N VAL A 35 9.290 -0.292 1.010 1.00 73.41 N ATOM 575 CA VAL A 35 10.652 0.213 0.882 1.00 71.01 C ATOM 576 C VAL A 35 11.490 -0.689 -0.018 1.00 54.44 C ATOM 577 O VAL A 35 12.180 -0.213 -0.920 1.00 65.01 O ATOM 578 CB VAL A 35 11.339 0.330 2.256 1.00 50.34 C ATOM 579 CG1 VAL A 35 12.767 0.828 2.098 1.00 74.21 C ATOM 580 CG2 VAL A 35 10.543 1.247 3.172 1.00 55.32 C ATOM 0 H VAL A 35 9.044 -0.608 1.948 1.00 73.41 H new ATOM 0 HA VAL A 35 10.581 1.204 0.434 1.00 71.01 H new ATOM 0 HB VAL A 35 11.374 -0.660 2.712 1.00 50.34 H new ATOM 0 HG11 VAL A 35 13.236 0.904 3.079 1.00 74.21 H new ATOM 0 HG12 VAL A 35 13.330 0.129 1.480 1.00 74.21 H new ATOM 0 HG13 VAL A 35 12.760 1.808 1.622 1.00 74.21 H new ATOM 0 HG21 VAL A 35 11.042 1.319 4.138 1.00 55.32 H new ATOM 0 HG22 VAL A 35 10.475 2.239 2.724 1.00 55.32 H new ATOM 0 HG23 VAL A 35 9.541 0.842 3.311 1.00 55.32 H new ATOM 590 N TRP A 36 11.426 -1.991 0.234 1.00 42.31 N ATOM 591 CA TRP A 36 12.178 -2.959 -0.554 1.00 71.40 C ATOM 592 C TRP A 36 11.753 -2.919 -2.018 1.00 15.40 C ATOM 593 O TRP A 36 12.520 -3.288 -2.907 1.00 33.51 O ATOM 594 CB TRP A 36 11.980 -4.369 0.007 1.00 33.23 C ATOM 595 CG TRP A 36 12.661 -5.432 -0.801 1.00 14.22 C ATOM 596 CD1 TRP A 36 13.853 -6.036 -0.521 1.00 22.11 C ATOM 597 CD2 TRP A 36 12.191 -6.012 -2.023 1.00 63.20 C ATOM 598 NE1 TRP A 36 14.153 -6.958 -1.496 1.00 44.13 N ATOM 599 CE2 TRP A 36 13.149 -6.963 -2.427 1.00 22.12 C ATOM 600 CE3 TRP A 36 11.054 -5.823 -2.813 1.00 72.52 C ATOM 601 CZ2 TRP A 36 13.001 -7.721 -3.586 1.00 13.45 C ATOM 602 CZ3 TRP A 36 10.910 -6.575 -3.963 1.00 54.12 C ATOM 603 CH2 TRP A 36 11.879 -7.515 -4.341 1.00 40.33 C ATOM 0 H TRP A 36 10.861 -2.400 0.978 1.00 42.31 H new ATOM 0 HA TRP A 36 13.234 -2.695 -0.494 1.00 71.40 H new ATOM 0 HB2 TRP A 36 12.358 -4.402 1.029 1.00 33.23 H new ATOM 0 HB3 TRP A 36 10.913 -4.587 0.054 1.00 33.23 H new ATOM 0 HD1 TRP A 36 14.469 -5.821 0.339 1.00 22.11 H new ATOM 0 HE1 TRP A 36 14.988 -7.543 -1.522 1.00 44.13 H new ATOM 0 HE3 TRP A 36 10.301 -5.102 -2.530 1.00 72.52 H new ATOM 0 HZ2 TRP A 36 13.746 -8.446 -3.878 1.00 13.45 H new ATOM 0 HZ3 TRP A 36 10.036 -6.436 -4.582 1.00 54.12 H new ATOM 0 HH2 TRP A 36 11.737 -8.088 -5.246 1.00 40.33 H new ATOM 614 N ALA A 37 10.528 -2.465 -2.262 1.00 60.32 N ATOM 615 CA ALA A 37 10.003 -2.373 -3.618 1.00 21.33 C ATOM 616 C ALA A 37 10.586 -1.171 -4.353 1.00 54.33 C ATOM 617 O ALA A 37 11.094 -1.298 -5.467 1.00 50.42 O ATOM 618 CB ALA A 37 8.485 -2.292 -3.593 1.00 43.02 C ATOM 0 H ALA A 37 9.881 -2.155 -1.537 1.00 60.32 H new ATOM 0 HA ALA A 37 10.299 -3.274 -4.156 1.00 21.33 H new ATOM 0 HB1 ALA A 37 8.107 -2.224 -4.613 1.00 43.02 H new ATOM 0 HB2 ALA A 37 8.081 -3.185 -3.115 1.00 43.02 H new ATOM 0 HB3 ALA A 37 8.177 -1.410 -3.032 1.00 43.02 H new ATOM 624 N ALA A 38 10.511 -0.004 -3.721 1.00 3.41 N ATOM 625 CA ALA A 38 11.032 1.222 -4.314 1.00 24.54 C ATOM 626 C ALA A 38 12.543 1.143 -4.496 1.00 53.12 C ATOM 627 O ALA A 38 13.073 1.513 -5.543 1.00 62.34 O ATOM 628 CB ALA A 38 10.663 2.422 -3.455 1.00 14.12 C ATOM 0 H ALA A 38 10.094 0.118 -2.798 1.00 3.41 H new ATOM 0 HA ALA A 38 10.580 1.342 -5.298 1.00 24.54 H new ATOM 0 HB1 ALA A 38 11.058 3.330 -3.910 1.00 14.12 H new ATOM 0 HB2 ALA A 38 9.578 2.496 -3.380 1.00 14.12 H new ATOM 0 HB3 ALA A 38 11.088 2.301 -2.459 1.00 14.12 H new ATOM 634 N ASN A 39 13.234 0.659 -3.467 1.00 1.35 N ATOM 635 CA ASN A 39 14.687 0.535 -3.514 1.00 62.52 C ATOM 636 C ASN A 39 15.128 -0.215 -4.767 1.00 71.21 C ATOM 637 O ASN A 39 16.170 0.085 -5.350 1.00 74.04 O ATOM 638 CB ASN A 39 15.197 -0.190 -2.266 1.00 1.24 C ATOM 639 CG ASN A 39 16.246 0.612 -1.521 1.00 64.23 C ATOM 640 OD1 ASN A 39 17.423 0.253 -1.506 1.00 11.13 O ATOM 641 ND2 ASN A 39 15.822 1.703 -0.895 1.00 5.32 N ATOM 0 H ASN A 39 12.812 0.347 -2.593 1.00 1.35 H new ATOM 0 HA ASN A 39 15.113 1.538 -3.544 1.00 62.52 H new ATOM 0 HB2 ASN A 39 14.359 -0.395 -1.600 1.00 1.24 H new ATOM 0 HB3 ASN A 39 15.617 -1.153 -2.555 1.00 1.24 H new ATOM 0 HD21 ASN A 39 16.482 2.281 -0.375 1.00 5.32 H new ATOM 0 HD22 ASN A 39 14.836 1.963 -0.934 1.00 5.32 H new ATOM 648 N LYS A 40 14.327 -1.193 -5.179 1.00 50.22 N ATOM 649 CA LYS A 40 14.633 -1.985 -6.364 1.00 43.42 C ATOM 650 C LYS A 40 14.409 -1.171 -7.635 1.00 65.23 C ATOM 651 O LYS A 40 15.178 -1.272 -8.593 1.00 65.04 O ATOM 652 CB LYS A 40 13.769 -3.248 -6.395 1.00 3.45 C ATOM 653 CG LYS A 40 14.220 -4.318 -5.418 1.00 74.24 C ATOM 654 CD LYS A 40 15.498 -4.996 -5.885 1.00 50.45 C ATOM 655 CE LYS A 40 15.329 -6.504 -5.974 1.00 75.43 C ATOM 656 NZ LYS A 40 16.311 -7.119 -6.909 1.00 12.24 N ATOM 0 H LYS A 40 13.461 -1.456 -4.709 1.00 50.22 H new ATOM 0 HA LYS A 40 15.684 -2.272 -6.318 1.00 43.42 H new ATOM 0 HB2 LYS A 40 12.737 -2.977 -6.173 1.00 3.45 H new ATOM 0 HB3 LYS A 40 13.780 -3.661 -7.404 1.00 3.45 H new ATOM 0 HG2 LYS A 40 14.381 -3.872 -4.437 1.00 74.24 H new ATOM 0 HG3 LYS A 40 13.433 -5.063 -5.304 1.00 74.24 H new ATOM 0 HD2 LYS A 40 15.784 -4.603 -6.861 1.00 50.45 H new ATOM 0 HD3 LYS A 40 16.309 -4.760 -5.196 1.00 50.45 H new ATOM 0 HE2 LYS A 40 15.448 -6.942 -4.983 1.00 75.43 H new ATOM 0 HE3 LYS A 40 14.317 -6.737 -6.306 1.00 75.43 H new ATOM 0 HZ1 LYS A 40 15.817 -7.770 -7.553 1.00 12.24 H new ATOM 0 HZ2 LYS A 40 16.778 -6.372 -7.462 1.00 12.24 H new ATOM 0 HZ3 LYS A 40 17.025 -7.645 -6.366 1.00 12.24 H new ATOM 670 N LEU A 41 13.353 -0.364 -7.637 1.00 54.25 N ATOM 671 CA LEU A 41 13.030 0.469 -8.790 1.00 75.41 C ATOM 672 C LEU A 41 14.186 1.406 -9.127 1.00 71.52 C ATOM 673 O LEU A 41 14.656 1.444 -10.265 1.00 64.22 O ATOM 674 CB LEU A 41 11.763 1.281 -8.518 1.00 54.34 C ATOM 675 CG LEU A 41 10.489 0.474 -8.269 1.00 22.32 C ATOM 676 CD1 LEU A 41 9.309 1.402 -8.021 1.00 74.53 C ATOM 677 CD2 LEU A 41 10.204 -0.450 -9.445 1.00 51.13 C ATOM 0 H LEU A 41 12.707 -0.269 -6.854 1.00 54.25 H new ATOM 0 HA LEU A 41 12.858 -0.187 -9.644 1.00 75.41 H new ATOM 0 HB2 LEU A 41 11.942 1.916 -7.651 1.00 54.34 H new ATOM 0 HB3 LEU A 41 11.590 1.942 -9.367 1.00 54.34 H new ATOM 0 HG LEU A 41 10.638 -0.138 -7.379 1.00 22.32 H new ATOM 0 HD11 LEU A 41 8.411 0.810 -7.846 1.00 74.53 H new ATOM 0 HD12 LEU A 41 9.511 2.022 -7.148 1.00 74.53 H new ATOM 0 HD13 LEU A 41 9.159 2.040 -8.892 1.00 74.53 H new ATOM 0 HD21 LEU A 41 9.293 -1.017 -9.250 1.00 51.13 H new ATOM 0 HD22 LEU A 41 10.076 0.143 -10.351 1.00 51.13 H new ATOM 0 HD23 LEU A 41 11.039 -1.139 -9.577 1.00 51.13 H new ATOM 689 N ASP A 42 14.641 2.157 -8.131 1.00 0.32 N ATOM 690 CA ASP A 42 15.744 3.092 -8.321 1.00 63.52 C ATOM 691 C ASP A 42 16.939 2.398 -8.969 1.00 24.25 C ATOM 692 O ASP A 42 17.472 2.870 -9.973 1.00 74.41 O ATOM 693 CB ASP A 42 16.159 3.703 -6.981 1.00 35.43 C ATOM 694 CG ASP A 42 15.731 5.151 -6.848 1.00 73.21 C ATOM 695 OD1 ASP A 42 15.890 5.908 -7.827 1.00 11.42 O ATOM 696 OD2 ASP A 42 15.239 5.526 -5.763 1.00 12.44 O ATOM 0 H ASP A 42 14.263 2.137 -7.184 1.00 0.32 H new ATOM 0 HA ASP A 42 15.404 3.887 -8.985 1.00 63.52 H new ATOM 0 HB2 ASP A 42 15.722 3.122 -6.169 1.00 35.43 H new ATOM 0 HB3 ASP A 42 17.242 3.636 -6.874 1.00 35.43 H new ATOM 701 N ARG A 43 17.352 1.277 -8.388 1.00 4.00 N ATOM 702 CA ARG A 43 18.484 0.519 -8.908 1.00 2.53 C ATOM 703 C ARG A 43 18.193 0.003 -10.315 1.00 61.10 C ATOM 704 O ARG A 43 18.909 0.320 -11.265 1.00 62.32 O ATOM 705 CB ARG A 43 18.811 -0.651 -7.981 1.00 63.53 C ATOM 706 CG ARG A 43 20.192 -1.245 -8.211 1.00 10.44 C ATOM 707 CD ARG A 43 20.546 -2.263 -7.140 1.00 53.34 C ATOM 708 NE ARG A 43 21.347 -3.362 -7.673 1.00 61.32 N ATOM 709 CZ ARG A 43 21.806 -4.364 -6.930 1.00 33.13 C ATOM 710 NH1 ARG A 43 21.545 -4.405 -5.631 1.00 33.15 N ATOM 711 NH2 ARG A 43 22.527 -5.328 -7.489 1.00 74.10 N ATOM 0 H ARG A 43 16.920 0.873 -7.557 1.00 4.00 H new ATOM 0 HA ARG A 43 19.345 1.186 -8.956 1.00 2.53 H new ATOM 0 HB2 ARG A 43 18.737 -0.315 -6.947 1.00 63.53 H new ATOM 0 HB3 ARG A 43 18.062 -1.431 -8.117 1.00 63.53 H new ATOM 0 HG2 ARG A 43 20.226 -1.720 -9.191 1.00 10.44 H new ATOM 0 HG3 ARG A 43 20.936 -0.448 -8.217 1.00 10.44 H new ATOM 0 HD2 ARG A 43 21.095 -1.770 -6.338 1.00 53.34 H new ATOM 0 HD3 ARG A 43 19.631 -2.661 -6.701 1.00 53.34 H new ATOM 0 HE ARG A 43 21.566 -3.360 -8.669 1.00 61.32 H new ATOM 0 HH11 ARG A 43 20.990 -3.666 -5.199 1.00 33.15 H new ATOM 0 HH12 ARG A 43 21.899 -5.175 -5.064 1.00 33.15 H new ATOM 0 HH21 ARG A 43 22.729 -5.300 -8.488 1.00 74.10 H new ATOM 0 HH22 ARG A 43 22.879 -6.097 -6.919 1.00 74.10 H new ATOM 725 N PHE A 44 17.138 -0.795 -10.440 1.00 45.34 N ATOM 726 CA PHE A 44 16.752 -1.357 -11.728 1.00 12.34 C ATOM 727 C PHE A 44 16.738 -0.280 -12.809 1.00 4.44 C ATOM 728 O PHE A 44 17.286 -0.467 -13.895 1.00 45.43 O ATOM 729 CB PHE A 44 15.374 -2.016 -11.630 1.00 41.11 C ATOM 730 CG PHE A 44 15.414 -3.410 -11.073 1.00 32.40 C ATOM 731 CD1 PHE A 44 16.232 -4.373 -11.641 1.00 31.34 C ATOM 732 CD2 PHE A 44 14.636 -3.756 -9.981 1.00 62.24 C ATOM 733 CE1 PHE A 44 16.270 -5.658 -11.132 1.00 51.44 C ATOM 734 CE2 PHE A 44 14.670 -5.039 -9.466 1.00 21.24 C ATOM 735 CZ PHE A 44 15.489 -5.990 -10.042 1.00 32.30 C ATOM 0 H PHE A 44 16.535 -1.067 -9.664 1.00 45.34 H new ATOM 0 HA PHE A 44 17.489 -2.112 -12.002 1.00 12.34 H new ATOM 0 HB2 PHE A 44 14.730 -1.401 -11.002 1.00 41.11 H new ATOM 0 HB3 PHE A 44 14.921 -2.042 -12.621 1.00 41.11 H new ATOM 0 HD1 PHE A 44 16.847 -4.117 -12.491 1.00 31.34 H new ATOM 0 HD2 PHE A 44 13.995 -3.015 -9.526 1.00 62.24 H new ATOM 0 HE1 PHE A 44 16.909 -6.401 -11.586 1.00 51.44 H new ATOM 0 HE2 PHE A 44 14.057 -5.297 -8.615 1.00 21.24 H new ATOM 0 HZ PHE A 44 15.519 -6.992 -9.641 1.00 32.30 H new ATOM 745 N GLY A 45 16.104 0.849 -12.503 1.00 74.33 N ATOM 746 CA GLY A 45 16.030 1.940 -13.457 1.00 64.43 C ATOM 747 C GLY A 45 14.670 2.611 -13.465 1.00 34.20 C ATOM 748 O GLY A 45 14.473 3.623 -14.137 1.00 54.43 O ATOM 0 H GLY A 45 15.641 1.027 -11.612 1.00 74.33 H new ATOM 0 HA2 GLY A 45 16.795 2.679 -13.219 1.00 64.43 H new ATOM 0 HA3 GLY A 45 16.251 1.562 -14.455 1.00 64.43 H new ATOM 752 N LEU A 46 13.729 2.045 -12.717 1.00 12.02 N ATOM 753 CA LEU A 46 12.380 2.594 -12.641 1.00 42.32 C ATOM 754 C LEU A 46 12.290 3.671 -11.564 1.00 25.44 C ATOM 755 O LEU A 46 13.102 3.708 -10.641 1.00 61.44 O ATOM 756 CB LEU A 46 11.371 1.481 -12.352 1.00 50.44 C ATOM 757 CG LEU A 46 11.257 0.385 -13.411 1.00 35.33 C ATOM 758 CD1 LEU A 46 10.428 -0.778 -12.891 1.00 64.52 C ATOM 759 CD2 LEU A 46 10.653 0.942 -14.692 1.00 74.20 C ATOM 0 H LEU A 46 13.875 1.207 -12.155 1.00 12.02 H new ATOM 0 HA LEU A 46 12.144 3.049 -13.603 1.00 42.32 H new ATOM 0 HB2 LEU A 46 11.637 1.015 -11.403 1.00 50.44 H new ATOM 0 HB3 LEU A 46 10.389 1.934 -12.220 1.00 50.44 H new ATOM 0 HG LEU A 46 12.259 0.018 -13.634 1.00 35.33 H new ATOM 0 HD11 LEU A 46 10.359 -1.548 -13.660 1.00 64.52 H new ATOM 0 HD12 LEU A 46 10.902 -1.194 -12.002 1.00 64.52 H new ATOM 0 HD13 LEU A 46 9.428 -0.427 -12.638 1.00 64.52 H new ATOM 0 HD21 LEU A 46 10.579 0.148 -15.435 1.00 74.20 H new ATOM 0 HD22 LEU A 46 9.659 1.337 -14.484 1.00 74.20 H new ATOM 0 HD23 LEU A 46 11.288 1.740 -15.076 1.00 74.20 H new ATOM 771 N ALA A 47 11.295 4.543 -11.689 1.00 41.03 N ATOM 772 CA ALA A 47 11.097 5.618 -10.724 1.00 5.21 C ATOM 773 C ALA A 47 10.115 5.201 -9.633 1.00 14.21 C ATOM 774 O ALA A 47 9.134 4.509 -9.900 1.00 14.23 O ATOM 775 CB ALA A 47 10.604 6.874 -11.428 1.00 1.10 C ATOM 0 H ALA A 47 10.614 4.526 -12.448 1.00 41.03 H new ATOM 0 HA ALA A 47 12.056 5.832 -10.252 1.00 5.21 H new ATOM 0 HB1 ALA A 47 10.460 7.669 -10.696 1.00 1.10 H new ATOM 0 HB2 ALA A 47 11.341 7.190 -12.167 1.00 1.10 H new ATOM 0 HB3 ALA A 47 9.658 6.664 -11.926 1.00 1.10 H new ATOM 781 N GLU A 48 10.389 5.627 -8.404 1.00 32.54 N ATOM 782 CA GLU A 48 9.531 5.295 -7.272 1.00 15.45 C ATOM 783 C GLU A 48 8.159 5.947 -7.422 1.00 40.44 C ATOM 784 O GLU A 48 7.156 5.428 -6.932 1.00 31.20 O ATOM 785 CB GLU A 48 10.181 5.744 -5.963 1.00 53.03 C ATOM 786 CG GLU A 48 10.269 7.253 -5.812 1.00 41.32 C ATOM 787 CD GLU A 48 11.186 7.674 -4.679 1.00 2.35 C ATOM 788 OE1 GLU A 48 11.690 6.784 -3.964 1.00 44.24 O ATOM 789 OE2 GLU A 48 11.398 8.893 -4.509 1.00 0.43 O ATOM 0 H GLU A 48 11.197 6.202 -8.167 1.00 32.54 H new ATOM 0 HA GLU A 48 9.400 4.213 -7.251 1.00 15.45 H new ATOM 0 HB2 GLU A 48 9.613 5.336 -5.127 1.00 53.03 H new ATOM 0 HB3 GLU A 48 11.184 5.322 -5.902 1.00 53.03 H new ATOM 0 HG2 GLU A 48 10.628 7.687 -6.745 1.00 41.32 H new ATOM 0 HG3 GLU A 48 9.271 7.655 -5.636 1.00 41.32 H new ATOM 796 N SER A 49 8.124 7.089 -8.101 1.00 12.25 N ATOM 797 CA SER A 49 6.876 7.815 -8.311 1.00 15.15 C ATOM 798 C SER A 49 5.854 6.941 -9.030 1.00 50.32 C ATOM 799 O SER A 49 4.648 7.183 -8.951 1.00 62.35 O ATOM 800 CB SER A 49 7.133 9.089 -9.120 1.00 73.35 C ATOM 801 OG SER A 49 7.467 8.782 -10.463 1.00 65.14 O ATOM 0 H SER A 49 8.944 7.532 -8.515 1.00 12.25 H new ATOM 0 HA SER A 49 6.474 8.087 -7.335 1.00 15.15 H new ATOM 0 HB2 SER A 49 6.246 9.722 -9.098 1.00 73.35 H new ATOM 0 HB3 SER A 49 7.942 9.658 -8.662 1.00 73.35 H new ATOM 0 HG SER A 49 7.625 9.612 -10.959 1.00 65.14 H new ATOM 807 N LEU A 50 6.343 5.925 -9.732 1.00 10.31 N ATOM 808 CA LEU A 50 5.472 5.013 -10.465 1.00 34.04 C ATOM 809 C LEU A 50 4.563 4.244 -9.513 1.00 4.32 C ATOM 810 O LEU A 50 3.525 3.716 -9.918 1.00 53.41 O ATOM 811 CB LEU A 50 6.308 4.034 -11.293 1.00 22.40 C ATOM 812 CG LEU A 50 7.337 4.659 -12.235 1.00 31.00 C ATOM 813 CD1 LEU A 50 8.280 3.596 -12.777 1.00 23.12 C ATOM 814 CD2 LEU A 50 6.642 5.390 -13.375 1.00 24.02 C ATOM 0 H LEU A 50 7.338 5.712 -9.809 1.00 10.31 H new ATOM 0 HA LEU A 50 4.848 5.605 -11.134 1.00 34.04 H new ATOM 0 HB2 LEU A 50 6.830 3.365 -10.609 1.00 22.40 H new ATOM 0 HB3 LEU A 50 5.630 3.419 -11.885 1.00 22.40 H new ATOM 0 HG LEU A 50 7.925 5.383 -11.671 1.00 31.00 H new ATOM 0 HD11 LEU A 50 9.005 4.060 -13.446 1.00 23.12 H new ATOM 0 HD12 LEU A 50 8.804 3.118 -11.949 1.00 23.12 H new ATOM 0 HD13 LEU A 50 7.708 2.848 -13.325 1.00 23.12 H new ATOM 0 HD21 LEU A 50 7.390 5.829 -14.036 1.00 24.02 H new ATOM 0 HD22 LEU A 50 6.029 4.687 -13.938 1.00 24.02 H new ATOM 0 HD23 LEU A 50 6.009 6.179 -12.969 1.00 24.02 H new ATOM 826 N LEU A 51 4.955 4.186 -8.245 1.00 21.23 N ATOM 827 CA LEU A 51 4.174 3.484 -7.233 1.00 32.43 C ATOM 828 C LEU A 51 3.030 4.355 -6.727 1.00 40.25 C ATOM 829 O LEU A 51 2.184 3.900 -5.958 1.00 55.32 O ATOM 830 CB LEU A 51 5.070 3.069 -6.066 1.00 35.30 C ATOM 831 CG LEU A 51 5.920 1.817 -6.284 1.00 60.24 C ATOM 832 CD1 LEU A 51 6.983 1.697 -5.201 1.00 11.42 C ATOM 833 CD2 LEU A 51 5.041 0.574 -6.310 1.00 54.54 C ATOM 0 H LEU A 51 5.810 4.617 -7.893 1.00 21.23 H new ATOM 0 HA LEU A 51 3.750 2.591 -7.692 1.00 32.43 H new ATOM 0 HB2 LEU A 51 5.736 3.900 -5.832 1.00 35.30 H new ATOM 0 HB3 LEU A 51 4.441 2.909 -5.190 1.00 35.30 H new ATOM 0 HG LEU A 51 6.421 1.905 -7.248 1.00 60.24 H new ATOM 0 HD11 LEU A 51 7.578 0.800 -5.373 1.00 11.42 H new ATOM 0 HD12 LEU A 51 7.631 2.573 -5.229 1.00 11.42 H new ATOM 0 HD13 LEU A 51 6.502 1.632 -4.225 1.00 11.42 H new ATOM 0 HD21 LEU A 51 5.662 -0.308 -6.466 1.00 54.54 H new ATOM 0 HD22 LEU A 51 4.512 0.482 -5.361 1.00 54.54 H new ATOM 0 HD23 LEU A 51 4.318 0.657 -7.121 1.00 54.54 H new ATOM 845 N GLU A 52 3.009 5.610 -7.166 1.00 54.32 N ATOM 846 CA GLU A 52 1.968 6.546 -6.757 1.00 73.35 C ATOM 847 C GLU A 52 0.996 6.811 -7.903 1.00 44.33 C ATOM 848 O GLU A 52 0.346 7.856 -7.949 1.00 41.13 O ATOM 849 CB GLU A 52 2.589 7.861 -6.285 1.00 72.23 C ATOM 850 CG GLU A 52 3.778 7.674 -5.356 1.00 52.21 C ATOM 851 CD GLU A 52 4.403 8.991 -4.937 1.00 74.05 C ATOM 852 OE1 GLU A 52 4.064 10.029 -5.542 1.00 44.33 O ATOM 853 OE2 GLU A 52 5.233 8.982 -4.004 1.00 74.04 O ATOM 0 H GLU A 52 3.701 6.002 -7.805 1.00 54.32 H new ATOM 0 HA GLU A 52 1.416 6.098 -5.931 1.00 73.35 H new ATOM 0 HB2 GLU A 52 2.905 8.437 -7.155 1.00 72.23 H new ATOM 0 HB3 GLU A 52 1.828 8.450 -5.773 1.00 72.23 H new ATOM 0 HG2 GLU A 52 3.458 7.129 -4.468 1.00 52.21 H new ATOM 0 HG3 GLU A 52 4.530 7.061 -5.853 1.00 52.21 H new ATOM 860 N SER A 53 0.902 5.860 -8.825 1.00 35.54 N ATOM 861 CA SER A 53 0.013 5.992 -9.974 1.00 74.02 C ATOM 862 C SER A 53 -0.260 4.632 -10.608 1.00 32.01 C ATOM 863 O SER A 53 0.662 3.859 -10.870 1.00 62.33 O ATOM 864 CB SER A 53 0.624 6.938 -11.010 1.00 44.51 C ATOM 865 OG SER A 53 1.213 6.214 -12.076 1.00 15.23 O ATOM 0 H SER A 53 1.431 4.988 -8.800 1.00 35.54 H new ATOM 0 HA SER A 53 -0.933 6.407 -9.626 1.00 74.02 H new ATOM 0 HB2 SER A 53 -0.147 7.603 -11.400 1.00 44.51 H new ATOM 0 HB3 SER A 53 1.376 7.567 -10.534 1.00 44.51 H new ATOM 0 HG SER A 53 1.595 6.841 -12.725 1.00 15.23 H new ATOM 871 N LYS A 54 -1.534 4.347 -10.853 1.00 4.22 N ATOM 872 CA LYS A 54 -1.933 3.081 -11.458 1.00 1.32 C ATOM 873 C LYS A 54 -1.345 2.939 -12.859 1.00 23.01 C ATOM 874 O LYS A 54 -0.871 1.868 -13.236 1.00 5.25 O ATOM 875 CB LYS A 54 -3.459 2.981 -11.522 1.00 71.14 C ATOM 876 CG LYS A 54 -4.114 4.131 -12.267 1.00 54.44 C ATOM 877 CD LYS A 54 -5.630 4.048 -12.199 1.00 14.34 C ATOM 878 CE LYS A 54 -6.181 4.861 -11.037 1.00 22.34 C ATOM 879 NZ LYS A 54 -6.588 6.228 -11.462 1.00 44.03 N ATOM 0 H LYS A 54 -2.309 4.976 -10.642 1.00 4.22 H new ATOM 0 HA LYS A 54 -1.548 2.273 -10.837 1.00 1.32 H new ATOM 0 HB2 LYS A 54 -3.733 2.043 -12.005 1.00 71.14 H new ATOM 0 HB3 LYS A 54 -3.855 2.944 -10.507 1.00 71.14 H new ATOM 0 HG2 LYS A 54 -3.781 5.078 -11.842 1.00 54.44 H new ATOM 0 HG3 LYS A 54 -3.794 4.120 -13.309 1.00 54.44 H new ATOM 0 HD2 LYS A 54 -6.058 4.411 -13.134 1.00 14.34 H new ATOM 0 HD3 LYS A 54 -5.934 3.007 -12.093 1.00 14.34 H new ATOM 0 HE2 LYS A 54 -7.038 4.344 -10.606 1.00 22.34 H new ATOM 0 HE3 LYS A 54 -5.426 4.934 -10.254 1.00 22.34 H new ATOM 0 HZ1 LYS A 54 -6.958 6.751 -10.642 1.00 44.03 H new ATOM 0 HZ2 LYS A 54 -5.764 6.731 -11.850 1.00 44.03 H new ATOM 0 HZ3 LYS A 54 -7.327 6.159 -12.191 1.00 44.03 H new ATOM 893 N GLU A 55 -1.377 4.026 -13.622 1.00 10.23 N ATOM 894 CA GLU A 55 -0.847 4.021 -14.981 1.00 55.23 C ATOM 895 C GLU A 55 0.631 3.638 -14.986 1.00 31.20 C ATOM 896 O GLU A 55 1.078 2.860 -15.828 1.00 52.45 O ATOM 897 CB GLU A 55 -1.030 5.395 -15.630 1.00 63.22 C ATOM 898 CG GLU A 55 -1.261 5.333 -17.130 1.00 53.21 C ATOM 899 CD GLU A 55 -0.388 6.310 -17.895 1.00 44.51 C ATOM 900 OE1 GLU A 55 0.779 6.503 -17.495 1.00 2.02 O ATOM 901 OE2 GLU A 55 -0.873 6.882 -18.894 1.00 44.22 O ATOM 0 H GLU A 55 -1.764 4.921 -13.323 1.00 10.23 H new ATOM 0 HA GLU A 55 -1.401 3.279 -15.556 1.00 55.23 H new ATOM 0 HB2 GLU A 55 -1.875 5.899 -15.161 1.00 63.22 H new ATOM 0 HB3 GLU A 55 -0.147 6.002 -15.432 1.00 63.22 H new ATOM 0 HG2 GLU A 55 -1.063 4.321 -17.483 1.00 53.21 H new ATOM 0 HG3 GLU A 55 -2.309 5.545 -17.342 1.00 53.21 H new ATOM 908 N GLY A 56 1.383 4.190 -14.039 1.00 14.42 N ATOM 909 CA GLY A 56 2.801 3.895 -13.952 1.00 12.41 C ATOM 910 C GLY A 56 3.071 2.474 -13.501 1.00 33.01 C ATOM 911 O GLY A 56 3.905 1.778 -14.084 1.00 24.20 O ATOM 0 H GLY A 56 1.035 4.836 -13.330 1.00 14.42 H new ATOM 0 HA2 GLY A 56 3.263 4.058 -14.926 1.00 12.41 H new ATOM 0 HA3 GLY A 56 3.271 4.589 -13.256 1.00 12.41 H new ATOM 915 N CYS A 57 2.369 2.042 -12.461 1.00 24.41 N ATOM 916 CA CYS A 57 2.538 0.693 -11.930 1.00 21.04 C ATOM 917 C CYS A 57 2.266 -0.353 -13.006 1.00 72.40 C ATOM 918 O CYS A 57 2.995 -1.338 -13.125 1.00 32.23 O ATOM 919 CB CYS A 57 1.606 0.471 -10.739 1.00 72.21 C ATOM 920 SG CYS A 57 2.463 0.253 -9.161 1.00 14.40 S ATOM 0 H CYS A 57 1.677 2.606 -11.967 1.00 24.41 H new ATOM 0 HA CYS A 57 3.571 0.587 -11.598 1.00 21.04 H new ATOM 0 HB2 CYS A 57 0.929 1.321 -10.658 1.00 72.21 H new ATOM 0 HB3 CYS A 57 0.992 -0.409 -10.931 1.00 72.21 H new ATOM 0 HG CYS A 57 1.943 1.046 -8.272 1.00 14.40 H new ATOM 926 N GLN A 58 1.213 -0.133 -13.785 1.00 11.34 N ATOM 927 CA GLN A 58 0.844 -1.059 -14.850 1.00 14.43 C ATOM 928 C GLN A 58 1.984 -1.221 -15.849 1.00 11.15 C ATOM 929 O GLN A 58 2.184 -2.298 -16.411 1.00 1.14 O ATOM 930 CB GLN A 58 -0.414 -0.567 -15.569 1.00 1.12 C ATOM 931 CG GLN A 58 -0.739 -1.351 -16.830 1.00 14.32 C ATOM 932 CD GLN A 58 -2.046 -0.919 -17.465 1.00 11.30 C ATOM 933 OE1 GLN A 58 -3.054 -1.621 -17.377 1.00 3.50 O ATOM 934 NE2 GLN A 58 -2.037 0.242 -18.109 1.00 15.43 N ATOM 0 H GLN A 58 0.600 0.678 -13.699 1.00 11.34 H new ATOM 0 HA GLN A 58 0.640 -2.030 -14.399 1.00 14.43 H new ATOM 0 HB2 GLN A 58 -1.261 -0.628 -14.885 1.00 1.12 H new ATOM 0 HB3 GLN A 58 -0.287 0.484 -15.827 1.00 1.12 H new ATOM 0 HG2 GLN A 58 0.070 -1.225 -17.550 1.00 14.32 H new ATOM 0 HG3 GLN A 58 -0.790 -2.413 -16.590 1.00 14.32 H new ATOM 0 HE21 GLN A 58 -1.179 0.792 -18.157 1.00 15.43 H new ATOM 0 HE22 GLN A 58 -2.888 0.584 -18.555 1.00 15.43 H new ATOM 943 N LYS A 59 2.731 -0.144 -16.068 1.00 22.02 N ATOM 944 CA LYS A 59 3.853 -0.166 -16.999 1.00 0.03 C ATOM 945 C LYS A 59 5.002 -1.003 -16.447 1.00 74.32 C ATOM 946 O LYS A 59 5.935 -1.349 -17.173 1.00 3.32 O ATOM 947 CB LYS A 59 4.336 1.258 -17.282 1.00 40.24 C ATOM 948 CG LYS A 59 4.010 1.745 -18.684 1.00 63.31 C ATOM 949 CD LYS A 59 4.450 3.184 -18.890 1.00 1.15 C ATOM 950 CE LYS A 59 3.256 4.118 -19.021 1.00 31.24 C ATOM 951 NZ LYS A 59 3.544 5.468 -18.462 1.00 21.53 N ATOM 0 H LYS A 59 2.579 0.756 -15.613 1.00 22.02 H new ATOM 0 HA LYS A 59 3.511 -0.619 -17.930 1.00 0.03 H new ATOM 0 HB2 LYS A 59 3.885 1.936 -16.557 1.00 40.24 H new ATOM 0 HB3 LYS A 59 5.415 1.303 -17.133 1.00 40.24 H new ATOM 0 HG2 LYS A 59 4.502 1.105 -19.416 1.00 63.31 H new ATOM 0 HG3 LYS A 59 2.937 1.663 -18.858 1.00 63.31 H new ATOM 0 HD2 LYS A 59 5.070 3.500 -18.051 1.00 1.15 H new ATOM 0 HD3 LYS A 59 5.067 3.252 -19.786 1.00 1.15 H new ATOM 0 HE2 LYS A 59 2.981 4.211 -20.072 1.00 31.24 H new ATOM 0 HE3 LYS A 59 2.399 3.686 -18.504 1.00 31.24 H new ATOM 0 HZ1 LYS A 59 2.671 5.875 -18.069 1.00 21.53 H new ATOM 0 HZ2 LYS A 59 4.257 5.387 -17.710 1.00 21.53 H new ATOM 0 HZ3 LYS A 59 3.905 6.086 -19.216 1.00 21.53 H new ATOM 965 N ILE A 60 4.927 -1.327 -15.160 1.00 11.33 N ATOM 966 CA ILE A 60 5.960 -2.126 -14.513 1.00 33.24 C ATOM 967 C ILE A 60 5.650 -3.615 -14.619 1.00 11.10 C ATOM 968 O ILE A 60 6.545 -4.433 -14.839 1.00 2.14 O ATOM 969 CB ILE A 60 6.114 -1.750 -13.027 1.00 13.14 C ATOM 970 CG1 ILE A 60 6.291 -0.237 -12.877 1.00 33.41 C ATOM 971 CG2 ILE A 60 7.293 -2.490 -12.413 1.00 24.21 C ATOM 972 CD1 ILE A 60 6.259 0.235 -11.441 1.00 55.23 C ATOM 0 H ILE A 60 4.162 -1.048 -14.546 1.00 11.33 H new ATOM 0 HA ILE A 60 6.895 -1.914 -15.032 1.00 33.24 H new ATOM 0 HB ILE A 60 5.209 -2.045 -12.497 1.00 13.14 H new ATOM 0 HG12 ILE A 60 7.240 0.056 -13.326 1.00 33.41 H new ATOM 0 HG13 ILE A 60 5.504 0.270 -13.435 1.00 33.41 H new ATOM 0 HG21 ILE A 60 7.389 -2.214 -11.363 1.00 24.21 H new ATOM 0 HG22 ILE A 60 7.129 -3.565 -12.492 1.00 24.21 H new ATOM 0 HG23 ILE A 60 8.207 -2.222 -12.943 1.00 24.21 H new ATOM 0 HD11 ILE A 60 6.390 1.317 -11.411 1.00 55.23 H new ATOM 0 HD12 ILE A 60 5.300 -0.027 -10.993 1.00 55.23 H new ATOM 0 HD13 ILE A 60 7.063 -0.244 -10.883 1.00 55.23 H new ATOM 984 N LEU A 61 4.378 -3.961 -14.463 1.00 5.03 N ATOM 985 CA LEU A 61 3.947 -5.354 -14.544 1.00 54.24 C ATOM 986 C LEU A 61 4.161 -5.908 -15.948 1.00 20.32 C ATOM 987 O LEU A 61 4.252 -7.121 -16.142 1.00 60.55 O ATOM 988 CB LEU A 61 2.474 -5.476 -14.152 1.00 22.12 C ATOM 989 CG LEU A 61 2.133 -5.125 -12.704 1.00 44.40 C ATOM 990 CD1 LEU A 61 0.625 -5.111 -12.499 1.00 74.20 C ATOM 991 CD2 LEU A 61 2.794 -6.106 -11.747 1.00 33.32 C ATOM 0 H LEU A 61 3.626 -3.297 -14.280 1.00 5.03 H new ATOM 0 HA LEU A 61 4.550 -5.937 -13.848 1.00 54.24 H new ATOM 0 HB2 LEU A 61 1.890 -4.831 -14.808 1.00 22.12 H new ATOM 0 HB3 LEU A 61 2.152 -6.500 -14.342 1.00 22.12 H new ATOM 0 HG LEU A 61 2.517 -4.127 -12.492 1.00 44.40 H new ATOM 0 HD11 LEU A 61 0.401 -4.859 -11.462 1.00 74.20 H new ATOM 0 HD12 LEU A 61 0.175 -4.369 -13.158 1.00 74.20 H new ATOM 0 HD13 LEU A 61 0.217 -6.095 -12.730 1.00 74.20 H new ATOM 0 HD21 LEU A 61 2.540 -5.840 -10.721 1.00 33.32 H new ATOM 0 HD22 LEU A 61 2.440 -7.115 -11.959 1.00 33.32 H new ATOM 0 HD23 LEU A 61 3.876 -6.066 -11.875 1.00 33.32 H new ATOM 1003 N THR A 62 4.241 -5.013 -16.928 1.00 65.35 N ATOM 1004 CA THR A 62 4.445 -5.413 -18.314 1.00 1.34 C ATOM 1005 C THR A 62 5.894 -5.813 -18.564 1.00 0.33 C ATOM 1006 O THR A 62 6.178 -6.655 -19.417 1.00 41.22 O ATOM 1007 CB THR A 62 4.061 -4.282 -19.287 1.00 4.01 C ATOM 1008 OG1 THR A 62 3.788 -4.823 -20.584 1.00 23.42 O ATOM 1009 CG2 THR A 62 5.176 -3.252 -19.386 1.00 51.43 C ATOM 0 H THR A 62 4.167 -4.006 -16.787 1.00 65.35 H new ATOM 0 HA THR A 62 3.798 -6.272 -18.493 1.00 1.34 H new ATOM 0 HB THR A 62 3.167 -3.791 -18.903 1.00 4.01 H new ATOM 0 HG1 THR A 62 3.543 -4.098 -21.196 1.00 23.42 H new ATOM 0 HG21 THR A 62 4.882 -2.463 -20.079 1.00 51.43 H new ATOM 0 HG22 THR A 62 5.361 -2.821 -18.402 1.00 51.43 H new ATOM 0 HG23 THR A 62 6.085 -3.733 -19.748 1.00 51.43 H new ATOM 1017 N VAL A 63 6.808 -5.204 -17.815 1.00 75.42 N ATOM 1018 CA VAL A 63 8.230 -5.499 -17.955 1.00 45.13 C ATOM 1019 C VAL A 63 8.621 -6.719 -17.129 1.00 34.14 C ATOM 1020 O VAL A 63 9.553 -7.446 -17.479 1.00 2.24 O ATOM 1021 CB VAL A 63 9.096 -4.301 -17.522 1.00 31.10 C ATOM 1022 CG1 VAL A 63 10.574 -4.638 -17.644 1.00 32.40 C ATOM 1023 CG2 VAL A 63 8.752 -3.070 -18.347 1.00 3.21 C ATOM 0 H VAL A 63 6.590 -4.504 -17.106 1.00 75.42 H new ATOM 0 HA VAL A 63 8.409 -5.705 -19.010 1.00 45.13 H new ATOM 0 HB VAL A 63 8.884 -4.081 -16.476 1.00 31.10 H new ATOM 0 HG11 VAL A 63 11.170 -3.780 -17.334 1.00 32.40 H new ATOM 0 HG12 VAL A 63 10.807 -5.491 -17.006 1.00 32.40 H new ATOM 0 HG13 VAL A 63 10.806 -4.886 -18.680 1.00 32.40 H new ATOM 0 HG21 VAL A 63 9.373 -2.233 -18.028 1.00 3.21 H new ATOM 0 HG22 VAL A 63 8.935 -3.276 -19.402 1.00 3.21 H new ATOM 0 HG23 VAL A 63 7.701 -2.818 -18.203 1.00 3.21 H new ATOM 1033 N LEU A 64 7.905 -6.940 -16.033 1.00 1.13 N ATOM 1034 CA LEU A 64 8.177 -8.075 -15.157 1.00 12.42 C ATOM 1035 C LEU A 64 7.256 -9.247 -15.482 1.00 15.14 C ATOM 1036 O LEU A 64 7.457 -10.360 -14.997 1.00 73.15 O ATOM 1037 CB LEU A 64 8.003 -7.666 -13.693 1.00 51.12 C ATOM 1038 CG LEU A 64 8.834 -6.471 -13.226 1.00 31.04 C ATOM 1039 CD1 LEU A 64 8.082 -5.677 -12.169 1.00 70.44 C ATOM 1040 CD2 LEU A 64 10.181 -6.933 -12.690 1.00 31.53 C ATOM 0 H LEU A 64 7.131 -6.349 -15.729 1.00 1.13 H new ATOM 0 HA LEU A 64 9.207 -8.391 -15.321 1.00 12.42 H new ATOM 0 HB2 LEU A 64 6.950 -7.440 -13.523 1.00 51.12 H new ATOM 0 HB3 LEU A 64 8.250 -8.522 -13.066 1.00 51.12 H new ATOM 0 HG LEU A 64 9.010 -5.820 -14.083 1.00 31.04 H new ATOM 0 HD11 LEU A 64 8.690 -4.831 -11.849 1.00 70.44 H new ATOM 0 HD12 LEU A 64 7.144 -5.313 -12.587 1.00 70.44 H new ATOM 0 HD13 LEU A 64 7.873 -6.318 -11.313 1.00 70.44 H new ATOM 0 HD21 LEU A 64 10.758 -6.068 -12.362 1.00 31.53 H new ATOM 0 HD22 LEU A 64 10.026 -7.606 -11.847 1.00 31.53 H new ATOM 0 HD23 LEU A 64 10.725 -7.456 -13.476 1.00 31.53 H new ATOM 1052 N ASP A 65 6.249 -8.990 -16.308 1.00 3.40 N ATOM 1053 CA ASP A 65 5.300 -10.024 -16.702 1.00 61.40 C ATOM 1054 C ASP A 65 6.028 -11.263 -17.215 1.00 4.51 C ATOM 1055 O ASP A 65 5.923 -12.352 -16.650 1.00 33.04 O ATOM 1056 CB ASP A 65 4.350 -9.493 -17.777 1.00 34.55 C ATOM 1057 CG ASP A 65 2.924 -9.369 -17.281 1.00 0.15 C ATOM 1058 OD1 ASP A 65 2.470 -10.273 -16.549 1.00 11.04 O ATOM 1059 OD2 ASP A 65 2.261 -8.368 -17.625 1.00 41.40 O ATOM 0 H ASP A 65 6.068 -8.074 -16.718 1.00 3.40 H new ATOM 0 HA ASP A 65 4.720 -10.304 -15.823 1.00 61.40 H new ATOM 0 HB2 ASP A 65 4.699 -8.518 -18.116 1.00 34.55 H new ATOM 0 HB3 ASP A 65 4.375 -10.158 -18.640 1.00 34.55 H new ATOM 1064 N PRO A 66 6.782 -11.095 -18.310 1.00 23.14 N ATOM 1065 CA PRO A 66 7.542 -12.189 -18.924 1.00 0.24 C ATOM 1066 C PRO A 66 8.718 -12.631 -18.062 1.00 73.42 C ATOM 1067 O PRO A 66 9.312 -13.684 -18.298 1.00 42.11 O ATOM 1068 CB PRO A 66 8.040 -11.582 -20.238 1.00 43.51 C ATOM 1069 CG PRO A 66 8.082 -10.114 -19.985 1.00 23.01 C ATOM 1070 CD PRO A 66 6.952 -9.825 -19.036 1.00 53.44 C ATOM 0 HA PRO A 66 6.934 -13.084 -19.056 1.00 0.24 H new ATOM 0 HB2 PRO A 66 9.025 -11.966 -20.504 1.00 43.51 H new ATOM 0 HB3 PRO A 66 7.371 -11.822 -21.064 1.00 43.51 H new ATOM 0 HG2 PRO A 66 9.039 -9.820 -19.554 1.00 23.01 H new ATOM 0 HG3 PRO A 66 7.965 -9.555 -20.913 1.00 23.01 H new ATOM 0 HD2 PRO A 66 7.195 -9.005 -18.360 1.00 53.44 H new ATOM 0 HD3 PRO A 66 6.044 -9.541 -19.567 1.00 53.44 H new ATOM 1078 N MET A 67 9.052 -11.821 -17.062 1.00 31.23 N ATOM 1079 CA MET A 67 10.158 -12.132 -16.164 1.00 72.42 C ATOM 1080 C MET A 67 9.725 -13.126 -15.092 1.00 63.23 C ATOM 1081 O MET A 67 10.544 -13.872 -14.555 1.00 20.23 O ATOM 1082 CB MET A 67 10.685 -10.854 -15.509 1.00 43.12 C ATOM 1083 CG MET A 67 11.124 -9.796 -16.507 1.00 2.23 C ATOM 1084 SD MET A 67 12.550 -10.311 -17.482 1.00 2.34 S ATOM 1085 CE MET A 67 13.788 -9.149 -16.912 1.00 31.42 C ATOM 0 H MET A 67 8.573 -10.945 -16.854 1.00 31.23 H new ATOM 0 HA MET A 67 10.955 -12.585 -16.753 1.00 72.42 H new ATOM 0 HB2 MET A 67 9.908 -10.437 -14.868 1.00 43.12 H new ATOM 0 HB3 MET A 67 11.528 -11.106 -14.865 1.00 43.12 H new ATOM 0 HG2 MET A 67 10.295 -9.567 -17.176 1.00 2.23 H new ATOM 0 HG3 MET A 67 11.366 -8.877 -15.973 1.00 2.23 H new ATOM 0 HE1 MET A 67 14.730 -9.340 -17.425 1.00 31.42 H new ATOM 0 HE2 MET A 67 13.458 -8.132 -17.126 1.00 31.42 H new ATOM 0 HE3 MET A 67 13.930 -9.266 -15.838 1.00 31.42 H new ATOM 1095 N VAL A 68 8.432 -13.130 -14.783 1.00 65.32 N ATOM 1096 CA VAL A 68 7.889 -14.034 -13.774 1.00 14.11 C ATOM 1097 C VAL A 68 8.143 -15.490 -14.148 1.00 31.52 C ATOM 1098 O VAL A 68 8.771 -16.247 -13.407 1.00 12.10 O ATOM 1099 CB VAL A 68 6.376 -13.819 -13.584 1.00 20.33 C ATOM 1100 CG1 VAL A 68 5.708 -15.107 -13.127 1.00 15.20 C ATOM 1101 CG2 VAL A 68 6.118 -12.694 -12.594 1.00 30.41 C ATOM 0 H VAL A 68 7.741 -12.518 -15.216 1.00 65.32 H new ATOM 0 HA VAL A 68 8.400 -13.808 -12.838 1.00 14.11 H new ATOM 0 HB VAL A 68 5.943 -13.534 -14.543 1.00 20.33 H new ATOM 0 HG11 VAL A 68 4.639 -14.937 -12.998 1.00 15.20 H new ATOM 0 HG12 VAL A 68 5.864 -15.883 -13.876 1.00 15.20 H new ATOM 0 HG13 VAL A 68 6.142 -15.425 -12.179 1.00 15.20 H new ATOM 0 HG21 VAL A 68 5.044 -12.556 -12.472 1.00 30.41 H new ATOM 0 HG22 VAL A 68 6.563 -12.947 -11.632 1.00 30.41 H new ATOM 0 HG23 VAL A 68 6.562 -11.771 -12.968 1.00 30.41 H new ATOM 1111 N PRO A 69 7.643 -15.894 -15.326 1.00 63.13 N ATOM 1112 CA PRO A 69 7.804 -17.263 -15.826 1.00 3.11 C ATOM 1113 C PRO A 69 9.244 -17.571 -16.219 1.00 30.24 C ATOM 1114 O PRO A 69 9.549 -18.668 -16.689 1.00 13.35 O ATOM 1115 CB PRO A 69 6.892 -17.300 -17.056 1.00 74.43 C ATOM 1116 CG PRO A 69 6.808 -15.883 -17.506 1.00 11.13 C ATOM 1117 CD PRO A 69 6.884 -15.046 -16.260 1.00 40.42 C ATOM 0 HA PRO A 69 7.552 -18.006 -15.070 1.00 3.11 H new ATOM 0 HB2 PRO A 69 7.305 -17.940 -17.836 1.00 74.43 H new ATOM 0 HB3 PRO A 69 5.907 -17.696 -16.807 1.00 74.43 H new ATOM 0 HG2 PRO A 69 7.623 -15.642 -18.188 1.00 11.13 H new ATOM 0 HG3 PRO A 69 5.878 -15.699 -18.043 1.00 11.13 H new ATOM 0 HD2 PRO A 69 7.389 -14.098 -16.443 1.00 40.42 H new ATOM 0 HD3 PRO A 69 5.893 -14.810 -15.873 1.00 40.42 H new ATOM 1125 N THR A 70 10.128 -16.597 -16.025 1.00 24.33 N ATOM 1126 CA THR A 70 11.536 -16.764 -16.361 1.00 63.41 C ATOM 1127 C THR A 70 12.395 -15.715 -15.665 1.00 53.04 C ATOM 1128 O THR A 70 12.985 -14.853 -16.313 1.00 12.35 O ATOM 1129 CB THR A 70 11.765 -16.674 -17.881 1.00 15.32 C ATOM 1130 OG1 THR A 70 10.796 -15.802 -18.472 1.00 15.50 O ATOM 1131 CG2 THR A 70 11.676 -18.049 -18.524 1.00 30.12 C ATOM 0 H THR A 70 9.893 -15.684 -15.637 1.00 24.33 H new ATOM 0 HA THR A 70 11.828 -17.756 -16.016 1.00 63.41 H new ATOM 0 HB THR A 70 12.765 -16.274 -18.052 1.00 15.32 H new ATOM 0 HG1 THR A 70 10.659 -15.024 -17.892 1.00 15.50 H new ATOM 0 HG21 THR A 70 11.841 -17.960 -19.598 1.00 30.12 H new ATOM 0 HG22 THR A 70 12.435 -18.702 -18.093 1.00 30.12 H new ATOM 0 HG23 THR A 70 10.688 -18.472 -18.343 1.00 30.12 H new ATOM 1139 N GLY A 71 12.462 -15.795 -14.340 1.00 71.21 N ATOM 1140 CA GLY A 71 13.253 -14.846 -13.578 1.00 25.11 C ATOM 1141 C GLY A 71 13.609 -15.364 -12.198 1.00 44.41 C ATOM 1142 O GLY A 71 13.117 -16.409 -11.775 1.00 71.44 O ATOM 0 H GLY A 71 11.983 -16.500 -13.780 1.00 71.21 H new ATOM 0 HA2 GLY A 71 14.168 -14.619 -14.125 1.00 25.11 H new ATOM 0 HA3 GLY A 71 12.700 -13.912 -13.481 1.00 25.11 H new ATOM 1146 N SER A 72 14.467 -14.630 -11.496 1.00 43.40 N ATOM 1147 CA SER A 72 14.893 -15.024 -10.158 1.00 74.00 C ATOM 1148 C SER A 72 13.836 -14.657 -9.122 1.00 40.43 C ATOM 1149 O SER A 72 12.764 -14.158 -9.463 1.00 70.00 O ATOM 1150 CB SER A 72 16.223 -14.355 -9.807 1.00 45.25 C ATOM 1151 OG SER A 72 16.018 -13.045 -9.306 1.00 13.43 O ATOM 0 H SER A 72 14.880 -13.760 -11.831 1.00 43.40 H new ATOM 0 HA SER A 72 15.025 -16.106 -10.148 1.00 74.00 H new ATOM 0 HB2 SER A 72 16.750 -14.954 -9.064 1.00 45.25 H new ATOM 0 HB3 SER A 72 16.858 -14.314 -10.692 1.00 45.25 H new ATOM 0 HG SER A 72 16.883 -12.639 -9.087 1.00 13.43 H new ATOM 1157 N GLU A 73 14.148 -14.907 -7.854 1.00 44.34 N ATOM 1158 CA GLU A 73 13.224 -14.604 -6.767 1.00 41.41 C ATOM 1159 C GLU A 73 13.195 -13.105 -6.480 1.00 62.44 C ATOM 1160 O GLU A 73 12.141 -12.538 -6.194 1.00 53.43 O ATOM 1161 CB GLU A 73 13.620 -15.368 -5.502 1.00 33.53 C ATOM 1162 CG GLU A 73 13.623 -16.878 -5.679 1.00 13.32 C ATOM 1163 CD GLU A 73 12.392 -17.536 -5.089 1.00 64.44 C ATOM 1164 OE1 GLU A 73 11.341 -17.541 -5.763 1.00 4.34 O ATOM 1165 OE2 GLU A 73 12.478 -18.047 -3.953 1.00 35.40 O ATOM 0 H GLU A 73 15.032 -15.318 -7.554 1.00 44.34 H new ATOM 0 HA GLU A 73 12.227 -14.918 -7.075 1.00 41.41 H new ATOM 0 HB2 GLU A 73 14.613 -15.045 -5.189 1.00 33.53 H new ATOM 0 HB3 GLU A 73 12.931 -15.106 -4.699 1.00 33.53 H new ATOM 0 HG2 GLU A 73 13.684 -17.116 -6.741 1.00 13.32 H new ATOM 0 HG3 GLU A 73 14.514 -17.294 -5.208 1.00 13.32 H new ATOM 1172 N ASN A 74 14.360 -12.471 -6.559 1.00 71.35 N ATOM 1173 CA ASN A 74 14.470 -11.039 -6.306 1.00 42.54 C ATOM 1174 C ASN A 74 13.563 -10.250 -7.246 1.00 23.03 C ATOM 1175 O ASN A 74 13.192 -9.111 -6.959 1.00 55.33 O ATOM 1176 CB ASN A 74 15.919 -10.579 -6.473 1.00 53.12 C ATOM 1177 CG ASN A 74 16.863 -11.284 -5.518 1.00 72.31 C ATOM 1178 OD1 ASN A 74 16.679 -11.244 -4.301 1.00 3.34 O ATOM 1179 ND2 ASN A 74 17.882 -11.937 -6.067 1.00 44.10 N ATOM 0 H ASN A 74 15.241 -12.926 -6.796 1.00 71.35 H new ATOM 0 HA ASN A 74 14.153 -10.852 -5.280 1.00 42.54 H new ATOM 0 HB2 ASN A 74 16.240 -10.763 -7.498 1.00 53.12 H new ATOM 0 HB3 ASN A 74 15.977 -9.503 -6.309 1.00 53.12 H new ATOM 0 HD21 ASN A 74 18.550 -12.431 -5.475 1.00 44.10 H new ATOM 0 HD22 ASN A 74 17.997 -11.944 -7.081 1.00 44.10 H new ATOM 1186 N LEU A 75 13.209 -10.863 -8.370 1.00 24.10 N ATOM 1187 CA LEU A 75 12.344 -10.219 -9.353 1.00 21.33 C ATOM 1188 C LEU A 75 10.875 -10.495 -9.049 1.00 2.44 C ATOM 1189 O LEU A 75 10.074 -9.570 -8.909 1.00 14.32 O ATOM 1190 CB LEU A 75 12.686 -10.710 -10.760 1.00 34.54 C ATOM 1191 CG LEU A 75 11.731 -10.277 -11.873 1.00 12.22 C ATOM 1192 CD1 LEU A 75 12.499 -9.620 -13.010 1.00 55.22 C ATOM 1193 CD2 LEU A 75 10.932 -11.466 -12.385 1.00 60.51 C ATOM 0 H LEU A 75 13.507 -11.805 -8.624 1.00 24.10 H new ATOM 0 HA LEU A 75 12.511 -9.143 -9.299 1.00 21.33 H new ATOM 0 HB2 LEU A 75 13.687 -10.361 -11.012 1.00 34.54 H new ATOM 0 HB3 LEU A 75 12.723 -11.799 -10.744 1.00 34.54 H new ATOM 0 HG LEU A 75 11.034 -9.547 -11.462 1.00 12.22 H new ATOM 0 HD11 LEU A 75 11.803 -9.319 -13.793 1.00 55.22 H new ATOM 0 HD12 LEU A 75 13.025 -8.742 -12.634 1.00 55.22 H new ATOM 0 HD13 LEU A 75 13.220 -10.328 -13.419 1.00 55.22 H new ATOM 0 HD21 LEU A 75 10.258 -11.138 -13.176 1.00 60.51 H new ATOM 0 HD22 LEU A 75 11.614 -12.220 -12.778 1.00 60.51 H new ATOM 0 HD23 LEU A 75 10.351 -11.893 -11.568 1.00 60.51 H new ATOM 1205 N LYS A 76 10.527 -11.773 -8.947 1.00 22.11 N ATOM 1206 CA LYS A 76 9.154 -12.172 -8.656 1.00 13.34 C ATOM 1207 C LYS A 76 8.623 -11.436 -7.431 1.00 44.13 C ATOM 1208 O LYS A 76 7.442 -11.091 -7.366 1.00 71.33 O ATOM 1209 CB LYS A 76 9.078 -13.683 -8.430 1.00 31.12 C ATOM 1210 CG LYS A 76 9.617 -14.500 -9.591 1.00 34.41 C ATOM 1211 CD LYS A 76 10.070 -15.879 -9.141 1.00 64.13 C ATOM 1212 CE LYS A 76 8.888 -16.818 -8.950 1.00 54.42 C ATOM 1213 NZ LYS A 76 8.701 -17.190 -7.520 1.00 62.04 N ATOM 0 H LYS A 76 11.177 -12.551 -9.061 1.00 22.11 H new ATOM 0 HA LYS A 76 8.535 -11.908 -9.513 1.00 13.34 H new ATOM 0 HB2 LYS A 76 9.637 -13.936 -7.529 1.00 31.12 H new ATOM 0 HB3 LYS A 76 8.040 -13.963 -8.251 1.00 31.12 H new ATOM 0 HG2 LYS A 76 8.846 -14.601 -10.355 1.00 34.41 H new ATOM 0 HG3 LYS A 76 10.454 -13.973 -10.050 1.00 34.41 H new ATOM 0 HD2 LYS A 76 10.753 -16.298 -9.880 1.00 64.13 H new ATOM 0 HD3 LYS A 76 10.624 -15.794 -8.206 1.00 64.13 H new ATOM 0 HE2 LYS A 76 7.981 -16.341 -9.323 1.00 54.42 H new ATOM 0 HE3 LYS A 76 9.041 -17.720 -9.543 1.00 54.42 H new ATOM 0 HZ1 LYS A 76 8.150 -18.070 -7.459 1.00 62.04 H new ATOM 0 HZ2 LYS A 76 9.630 -17.332 -7.074 1.00 62.04 H new ATOM 0 HZ3 LYS A 76 8.193 -16.429 -7.027 1.00 62.04 H new ATOM 1227 N SER A 77 9.500 -11.197 -6.461 1.00 23.32 N ATOM 1228 CA SER A 77 9.117 -10.504 -5.237 1.00 71.51 C ATOM 1229 C SER A 77 8.481 -9.155 -5.553 1.00 54.43 C ATOM 1230 O SER A 77 7.383 -8.848 -5.087 1.00 65.03 O ATOM 1231 CB SER A 77 10.337 -10.308 -4.335 1.00 54.54 C ATOM 1232 OG SER A 77 10.673 -11.509 -3.662 1.00 73.03 O ATOM 0 H SER A 77 10.481 -11.473 -6.499 1.00 23.32 H new ATOM 0 HA SER A 77 8.383 -11.118 -4.715 1.00 71.51 H new ATOM 0 HB2 SER A 77 11.185 -9.973 -4.933 1.00 54.54 H new ATOM 0 HB3 SER A 77 10.132 -9.524 -3.606 1.00 54.54 H new ATOM 0 HG SER A 77 11.185 -12.089 -4.264 1.00 73.03 H new ATOM 1238 N LEU A 78 9.179 -8.351 -6.347 1.00 3.42 N ATOM 1239 CA LEU A 78 8.683 -7.031 -6.727 1.00 21.31 C ATOM 1240 C LEU A 78 7.404 -7.147 -7.550 1.00 42.33 C ATOM 1241 O LEU A 78 6.441 -6.414 -7.324 1.00 42.42 O ATOM 1242 CB LEU A 78 9.749 -6.275 -7.523 1.00 44.21 C ATOM 1243 CG LEU A 78 9.280 -5.002 -8.229 1.00 32.33 C ATOM 1244 CD1 LEU A 78 8.832 -3.963 -7.214 1.00 12.42 C ATOM 1245 CD2 LEU A 78 10.386 -4.446 -9.114 1.00 54.54 C ATOM 0 H LEU A 78 10.090 -8.589 -6.740 1.00 3.42 H new ATOM 0 HA LEU A 78 8.458 -6.477 -5.816 1.00 21.31 H new ATOM 0 HB2 LEU A 78 10.562 -6.013 -6.846 1.00 44.21 H new ATOM 0 HB3 LEU A 78 10.163 -6.951 -8.272 1.00 44.21 H new ATOM 0 HG LEU A 78 8.428 -5.252 -8.861 1.00 32.33 H new ATOM 0 HD11 LEU A 78 8.502 -3.064 -7.735 1.00 12.42 H new ATOM 0 HD12 LEU A 78 8.008 -4.363 -6.623 1.00 12.42 H new ATOM 0 HD13 LEU A 78 9.664 -3.715 -6.555 1.00 12.42 H new ATOM 0 HD21 LEU A 78 10.035 -3.540 -9.609 1.00 54.54 H new ATOM 0 HD22 LEU A 78 11.258 -4.211 -8.503 1.00 54.54 H new ATOM 0 HD23 LEU A 78 10.658 -5.188 -9.865 1.00 54.54 H new ATOM 1257 N PHE A 79 7.401 -8.073 -8.502 1.00 2.21 N ATOM 1258 CA PHE A 79 6.239 -8.284 -9.358 1.00 24.25 C ATOM 1259 C PHE A 79 4.971 -8.443 -8.523 1.00 32.43 C ATOM 1260 O PHE A 79 3.950 -7.816 -8.801 1.00 12.01 O ATOM 1261 CB PHE A 79 6.444 -9.522 -10.235 1.00 1.33 C ATOM 1262 CG PHE A 79 5.227 -9.903 -11.028 1.00 44.22 C ATOM 1263 CD1 PHE A 79 4.924 -9.255 -12.213 1.00 3.05 C ATOM 1264 CD2 PHE A 79 4.384 -10.910 -10.585 1.00 61.13 C ATOM 1265 CE1 PHE A 79 3.804 -9.604 -12.945 1.00 33.43 C ATOM 1266 CE2 PHE A 79 3.263 -11.264 -11.313 1.00 40.23 C ATOM 1267 CZ PHE A 79 2.972 -10.610 -12.493 1.00 11.33 C ATOM 0 H PHE A 79 8.189 -8.689 -8.701 1.00 2.21 H new ATOM 0 HA PHE A 79 6.125 -7.409 -9.997 1.00 24.25 H new ATOM 0 HB2 PHE A 79 7.272 -9.339 -10.920 1.00 1.33 H new ATOM 0 HB3 PHE A 79 6.733 -10.361 -9.603 1.00 1.33 H new ATOM 0 HD1 PHE A 79 5.570 -8.467 -12.570 1.00 3.05 H new ATOM 0 HD2 PHE A 79 4.605 -11.424 -9.661 1.00 61.13 H new ATOM 0 HE1 PHE A 79 3.580 -9.091 -13.869 1.00 33.43 H new ATOM 0 HE2 PHE A 79 2.615 -12.052 -10.958 1.00 40.23 H new ATOM 0 HZ PHE A 79 2.096 -10.884 -13.062 1.00 11.33 H new ATOM 1277 N ASN A 80 5.045 -9.290 -7.501 1.00 5.33 N ATOM 1278 CA ASN A 80 3.903 -9.533 -6.626 1.00 32.13 C ATOM 1279 C ASN A 80 3.417 -8.234 -5.992 1.00 51.40 C ATOM 1280 O ASN A 80 2.221 -7.940 -5.989 1.00 31.13 O ATOM 1281 CB ASN A 80 4.276 -10.539 -5.535 1.00 0.15 C ATOM 1282 CG ASN A 80 4.126 -11.975 -5.997 1.00 62.42 C ATOM 1283 OD1 ASN A 80 4.495 -12.320 -7.119 1.00 25.23 O ATOM 1284 ND2 ASN A 80 3.581 -12.821 -5.130 1.00 51.15 N ATOM 0 H ASN A 80 5.883 -9.819 -7.258 1.00 5.33 H new ATOM 0 HA ASN A 80 3.095 -9.945 -7.230 1.00 32.13 H new ATOM 0 HB2 ASN A 80 5.306 -10.367 -5.222 1.00 0.15 H new ATOM 0 HB3 ASN A 80 3.646 -10.374 -4.661 1.00 0.15 H new ATOM 0 HD21 ASN A 80 3.454 -13.801 -5.384 1.00 51.15 H new ATOM 0 HD22 ASN A 80 3.289 -12.491 -4.210 1.00 51.15 H new ATOM 1291 N THR A 81 4.353 -7.457 -5.455 1.00 31.35 N ATOM 1292 CA THR A 81 4.021 -6.189 -4.817 1.00 34.51 C ATOM 1293 C THR A 81 3.409 -5.215 -5.817 1.00 11.51 C ATOM 1294 O THR A 81 2.406 -4.562 -5.528 1.00 32.33 O ATOM 1295 CB THR A 81 5.263 -5.540 -4.179 1.00 13.52 C ATOM 1296 OG1 THR A 81 5.986 -6.511 -3.416 1.00 73.44 O ATOM 1297 CG2 THR A 81 4.865 -4.377 -3.283 1.00 5.21 C ATOM 0 H THR A 81 5.347 -7.684 -5.449 1.00 31.35 H new ATOM 0 HA THR A 81 3.293 -6.408 -4.036 1.00 34.51 H new ATOM 0 HB THR A 81 5.899 -5.161 -4.979 1.00 13.52 H new ATOM 0 HG1 THR A 81 6.775 -6.090 -3.015 1.00 73.44 H new ATOM 0 HG21 THR A 81 5.759 -3.934 -2.843 1.00 5.21 H new ATOM 0 HG22 THR A 81 4.341 -3.626 -3.873 1.00 5.21 H new ATOM 0 HG23 THR A 81 4.210 -4.737 -2.489 1.00 5.21 H new ATOM 1305 N VAL A 82 4.018 -5.122 -6.994 1.00 0.15 N ATOM 1306 CA VAL A 82 3.531 -4.227 -8.038 1.00 32.04 C ATOM 1307 C VAL A 82 2.064 -4.496 -8.352 1.00 1.10 C ATOM 1308 O VAL A 82 1.293 -3.570 -8.605 1.00 13.53 O ATOM 1309 CB VAL A 82 4.356 -4.372 -9.331 1.00 21.44 C ATOM 1310 CG1 VAL A 82 3.863 -3.400 -10.391 1.00 53.41 C ATOM 1311 CG2 VAL A 82 5.835 -4.159 -9.046 1.00 31.44 C ATOM 0 H VAL A 82 4.849 -5.655 -7.249 1.00 0.15 H new ATOM 0 HA VAL A 82 3.638 -3.211 -7.659 1.00 32.04 H new ATOM 0 HB VAL A 82 4.226 -5.385 -9.713 1.00 21.44 H new ATOM 0 HG11 VAL A 82 4.458 -3.517 -11.297 1.00 53.41 H new ATOM 0 HG12 VAL A 82 2.816 -3.606 -10.615 1.00 53.41 H new ATOM 0 HG13 VAL A 82 3.961 -2.379 -10.022 1.00 53.41 H new ATOM 0 HG21 VAL A 82 6.403 -4.265 -9.970 1.00 31.44 H new ATOM 0 HG22 VAL A 82 5.987 -3.159 -8.640 1.00 31.44 H new ATOM 0 HG23 VAL A 82 6.177 -4.900 -8.323 1.00 31.44 H new ATOM 1321 N CYS A 83 1.683 -5.769 -8.332 1.00 54.41 N ATOM 1322 CA CYS A 83 0.308 -6.160 -8.614 1.00 43.20 C ATOM 1323 C CYS A 83 -0.638 -5.641 -7.535 1.00 22.52 C ATOM 1324 O CYS A 83 -1.812 -5.380 -7.796 1.00 43.22 O ATOM 1325 CB CYS A 83 0.199 -7.682 -8.716 1.00 1.24 C ATOM 1326 SG CYS A 83 0.458 -8.330 -10.384 1.00 71.11 S ATOM 0 H CYS A 83 2.308 -6.547 -8.123 1.00 54.41 H new ATOM 0 HA CYS A 83 0.019 -5.718 -9.568 1.00 43.20 H new ATOM 0 HB2 CYS A 83 0.929 -8.134 -8.045 1.00 1.24 H new ATOM 0 HB3 CYS A 83 -0.787 -7.989 -8.367 1.00 1.24 H new ATOM 0 HG CYS A 83 1.537 -9.054 -10.405 1.00 71.11 H new ATOM 1332 N VAL A 84 -0.118 -5.497 -6.320 1.00 40.41 N ATOM 1333 CA VAL A 84 -0.915 -5.009 -5.200 1.00 62.41 C ATOM 1334 C VAL A 84 -1.055 -3.493 -5.245 1.00 42.23 C ATOM 1335 O VAL A 84 -2.166 -2.964 -5.312 1.00 75.11 O ATOM 1336 CB VAL A 84 -0.294 -5.418 -3.851 1.00 4.23 C ATOM 1337 CG1 VAL A 84 -1.116 -4.866 -2.696 1.00 10.54 C ATOM 1338 CG2 VAL A 84 -0.176 -6.932 -3.755 1.00 55.11 C ATOM 0 H VAL A 84 0.851 -5.711 -6.086 1.00 40.41 H new ATOM 0 HA VAL A 84 -1.902 -5.464 -5.290 1.00 62.41 H new ATOM 0 HB VAL A 84 0.708 -4.994 -3.789 1.00 4.23 H new ATOM 0 HG11 VAL A 84 -0.662 -5.165 -1.751 1.00 10.54 H new ATOM 0 HG12 VAL A 84 -1.144 -3.778 -2.757 1.00 10.54 H new ATOM 0 HG13 VAL A 84 -2.131 -5.259 -2.751 1.00 10.54 H new ATOM 0 HG21 VAL A 84 0.265 -7.202 -2.795 1.00 55.11 H new ATOM 0 HG22 VAL A 84 -1.166 -7.380 -3.839 1.00 55.11 H new ATOM 0 HG23 VAL A 84 0.458 -7.299 -4.562 1.00 55.11 H new ATOM 1348 N ILE A 85 0.076 -2.798 -5.207 1.00 52.45 N ATOM 1349 CA ILE A 85 0.078 -1.341 -5.244 1.00 55.25 C ATOM 1350 C ILE A 85 -0.863 -0.816 -6.321 1.00 25.00 C ATOM 1351 O ILE A 85 -1.601 0.146 -6.102 1.00 31.31 O ATOM 1352 CB ILE A 85 1.492 -0.786 -5.500 1.00 74.45 C ATOM 1353 CG1 ILE A 85 2.459 -1.272 -4.417 1.00 31.15 C ATOM 1354 CG2 ILE A 85 1.465 0.734 -5.548 1.00 51.12 C ATOM 1355 CD1 ILE A 85 2.233 -0.624 -3.070 1.00 44.32 C ATOM 0 H ILE A 85 1.003 -3.220 -5.151 1.00 52.45 H new ATOM 0 HA ILE A 85 -0.266 -1.001 -4.267 1.00 55.25 H new ATOM 0 HB ILE A 85 1.840 -1.155 -6.465 1.00 74.45 H new ATOM 0 HG12 ILE A 85 2.361 -2.353 -4.312 1.00 31.15 H new ATOM 0 HG13 ILE A 85 3.481 -1.074 -4.739 1.00 31.15 H new ATOM 0 HG21 ILE A 85 2.472 1.110 -5.730 1.00 51.12 H new ATOM 0 HG22 ILE A 85 0.805 1.061 -6.351 1.00 51.12 H new ATOM 0 HG23 ILE A 85 1.099 1.122 -4.597 1.00 51.12 H new ATOM 0 HD11 ILE A 85 2.954 -1.016 -2.352 1.00 44.32 H new ATOM 0 HD12 ILE A 85 2.360 0.455 -3.159 1.00 44.32 H new ATOM 0 HD13 ILE A 85 1.222 -0.843 -2.726 1.00 44.32 H new ATOM 1367 N TRP A 86 -0.836 -1.456 -7.485 1.00 41.52 N ATOM 1368 CA TRP A 86 -1.690 -1.055 -8.598 1.00 70.31 C ATOM 1369 C TRP A 86 -3.162 -1.232 -8.245 1.00 22.05 C ATOM 1370 O TRP A 86 -3.980 -0.344 -8.488 1.00 53.23 O ATOM 1371 CB TRP A 86 -1.350 -1.869 -9.847 1.00 43.22 C ATOM 1372 CG TRP A 86 -2.147 -1.469 -11.052 1.00 64.21 C ATOM 1373 CD1 TRP A 86 -1.759 -0.618 -12.046 1.00 53.34 C ATOM 1374 CD2 TRP A 86 -3.470 -1.904 -11.387 1.00 41.43 C ATOM 1375 NE1 TRP A 86 -2.760 -0.497 -12.979 1.00 52.21 N ATOM 1376 CE2 TRP A 86 -3.820 -1.276 -12.599 1.00 74.33 C ATOM 1377 CE3 TRP A 86 -4.391 -2.763 -10.784 1.00 63.24 C ATOM 1378 CZ2 TRP A 86 -5.051 -1.482 -13.214 1.00 1.45 C ATOM 1379 CZ3 TRP A 86 -5.613 -2.966 -11.395 1.00 63.03 C ATOM 1380 CH2 TRP A 86 -5.934 -2.328 -12.601 1.00 43.40 C ATOM 0 H TRP A 86 -0.233 -2.254 -7.683 1.00 41.52 H new ATOM 0 HA TRP A 86 -1.509 0.001 -8.801 1.00 70.31 H new ATOM 0 HB2 TRP A 86 -0.289 -1.755 -10.068 1.00 43.22 H new ATOM 0 HB3 TRP A 86 -1.521 -2.926 -9.641 1.00 43.22 H new ATOM 0 HD1 TRP A 86 -0.805 -0.114 -12.092 1.00 53.34 H new ATOM 0 HE1 TRP A 86 -2.720 0.080 -13.819 1.00 52.21 H new ATOM 0 HE3 TRP A 86 -4.152 -3.260 -9.856 1.00 63.24 H new ATOM 0 HZ2 TRP A 86 -5.301 -0.991 -14.143 1.00 1.45 H new ATOM 0 HZ3 TRP A 86 -6.333 -3.627 -10.936 1.00 63.03 H new ATOM 0 HH2 TRP A 86 -6.897 -2.508 -13.055 1.00 43.40 H new ATOM 1391 N CYS A 87 -3.495 -2.384 -7.672 1.00 11.31 N ATOM 1392 CA CYS A 87 -4.871 -2.677 -7.286 1.00 33.52 C ATOM 1393 C CYS A 87 -5.424 -1.587 -6.375 1.00 12.33 C ATOM 1394 O CYS A 87 -6.530 -1.090 -6.587 1.00 2.31 O ATOM 1395 CB CYS A 87 -4.947 -4.034 -6.584 1.00 44.40 C ATOM 1396 SG CYS A 87 -5.744 -5.328 -7.563 1.00 13.20 S ATOM 0 H CYS A 87 -2.831 -3.130 -7.465 1.00 11.31 H new ATOM 0 HA CYS A 87 -5.478 -2.710 -8.191 1.00 33.52 H new ATOM 0 HB2 CYS A 87 -3.937 -4.356 -6.329 1.00 44.40 H new ATOM 0 HB3 CYS A 87 -5.490 -3.916 -5.646 1.00 44.40 H new ATOM 0 HG CYS A 87 -4.835 -6.079 -8.111 1.00 13.20 H new ATOM 1402 N ILE A 88 -4.648 -1.221 -5.360 1.00 3.02 N ATOM 1403 CA ILE A 88 -5.062 -0.190 -4.416 1.00 22.25 C ATOM 1404 C ILE A 88 -5.424 1.103 -5.139 1.00 45.11 C ATOM 1405 O ILE A 88 -6.344 1.815 -4.735 1.00 1.31 O ATOM 1406 CB ILE A 88 -3.957 0.105 -3.384 1.00 34.14 C ATOM 1407 CG1 ILE A 88 -3.596 -1.167 -2.614 1.00 21.31 C ATOM 1408 CG2 ILE A 88 -4.403 1.201 -2.429 1.00 32.34 C ATOM 1409 CD1 ILE A 88 -2.224 -1.120 -1.980 1.00 32.44 C ATOM 0 H ILE A 88 -3.730 -1.623 -5.170 1.00 3.02 H new ATOM 0 HA ILE A 88 -5.941 -0.572 -3.896 1.00 22.25 H new ATOM 0 HB ILE A 88 -3.069 0.451 -3.913 1.00 34.14 H new ATOM 0 HG12 ILE A 88 -4.341 -1.335 -1.836 1.00 21.31 H new ATOM 0 HG13 ILE A 88 -3.645 -2.019 -3.292 1.00 21.31 H new ATOM 0 HG21 ILE A 88 -3.611 1.398 -1.706 1.00 32.34 H new ATOM 0 HG22 ILE A 88 -4.615 2.110 -2.992 1.00 32.34 H new ATOM 0 HG23 ILE A 88 -5.303 0.882 -1.904 1.00 32.34 H new ATOM 0 HD11 ILE A 88 -2.035 -2.054 -1.451 1.00 32.44 H new ATOM 0 HD12 ILE A 88 -1.470 -0.983 -2.755 1.00 32.44 H new ATOM 0 HD13 ILE A 88 -2.177 -0.289 -1.276 1.00 32.44 H new ATOM 1421 N HIS A 89 -4.698 1.400 -6.211 1.00 33.43 N ATOM 1422 CA HIS A 89 -4.945 2.606 -6.993 1.00 35.34 C ATOM 1423 C HIS A 89 -6.147 2.419 -7.913 1.00 1.52 C ATOM 1424 O HIS A 89 -6.883 3.391 -8.088 1.00 40.34 O ATOM 1425 CB HIS A 89 -3.709 2.967 -7.819 1.00 75.04 C ATOM 1426 CG HIS A 89 -2.559 3.454 -6.992 1.00 73.42 C ATOM 1427 ND1 HIS A 89 -2.718 4.212 -5.852 1.00 62.01 N ATOM 1428 CD2 HIS A 89 -1.224 3.285 -7.145 1.00 74.02 C ATOM 1429 CE1 HIS A 89 -1.532 4.490 -5.340 1.00 62.33 C ATOM 1430 NE2 HIS A 89 -0.608 3.938 -6.106 1.00 62.11 N ATOM 0 H HIS A 89 -3.933 0.822 -6.559 1.00 33.43 H new ATOM 0 HA HIS A 89 -5.161 3.420 -6.301 1.00 35.34 H new ATOM 0 HB2 HIS A 89 -3.393 2.092 -8.387 1.00 75.04 H new ATOM 0 HB3 HIS A 89 -3.977 3.737 -8.543 1.00 75.04 H new ATOM 0 HD2 HIS A 89 -0.735 2.738 -7.937 1.00 74.02 H new ATOM 0 HE1 HIS A 89 -1.349 5.070 -4.447 1.00 62.33 H new ATOM 0 HE2 HIS A 89 0.399 3.989 -5.951 1.00 62.11 H new ATOM 1438 N ALA A 90 -6.360 1.240 -8.487 1.00 31.13 N ATOM 1439 CA ALA A 90 -7.497 1.014 -9.371 1.00 2.22 C ATOM 1440 C ALA A 90 -8.765 0.730 -8.574 1.00 71.11 C ATOM 1441 O ALA A 90 -9.819 0.452 -9.145 1.00 71.13 O ATOM 1442 CB ALA A 90 -7.203 -0.135 -10.326 1.00 42.34 C ATOM 0 H ALA A 90 -5.760 0.426 -8.356 1.00 31.13 H new ATOM 0 HA ALA A 90 -7.660 1.922 -9.951 1.00 2.22 H new ATOM 0 HB1 ALA A 90 -8.060 -0.293 -10.980 1.00 42.34 H new ATOM 0 HB2 ALA A 90 -6.327 0.107 -10.928 1.00 42.34 H new ATOM 0 HB3 ALA A 90 -7.011 -1.043 -9.754 1.00 42.34 H new ATOM 1448 N GLU A 91 -8.656 0.802 -7.251 1.00 10.11 N ATOM 1449 CA GLU A 91 -9.795 0.552 -6.376 1.00 72.13 C ATOM 1450 C GLU A 91 -10.282 -0.888 -6.517 1.00 61.23 C ATOM 1451 O GLU A 91 -11.454 -1.132 -6.801 1.00 14.12 O ATOM 1452 CB GLU A 91 -10.935 1.521 -6.695 1.00 72.20 C ATOM 1453 CG GLU A 91 -10.521 2.983 -6.651 1.00 31.12 C ATOM 1454 CD GLU A 91 -11.675 3.905 -6.310 1.00 52.12 C ATOM 1455 OE1 GLU A 91 -12.826 3.570 -6.658 1.00 44.55 O ATOM 1456 OE2 GLU A 91 -11.425 4.963 -5.694 1.00 42.11 O ATOM 0 H GLU A 91 -7.791 1.031 -6.762 1.00 10.11 H new ATOM 0 HA GLU A 91 -9.472 0.710 -5.347 1.00 72.13 H new ATOM 0 HB2 GLU A 91 -11.328 1.293 -7.686 1.00 72.20 H new ATOM 0 HB3 GLU A 91 -11.747 1.360 -5.985 1.00 72.20 H new ATOM 0 HG2 GLU A 91 -9.729 3.110 -5.913 1.00 31.12 H new ATOM 0 HG3 GLU A 91 -10.106 3.269 -7.618 1.00 31.12 H new ATOM 1463 N GLU A 92 -9.373 -1.837 -6.316 1.00 41.25 N ATOM 1464 CA GLU A 92 -9.710 -3.252 -6.421 1.00 51.41 C ATOM 1465 C GLU A 92 -9.523 -3.957 -5.082 1.00 61.32 C ATOM 1466 O GLU A 92 -8.407 -4.063 -4.572 1.00 51.44 O ATOM 1467 CB GLU A 92 -8.846 -3.925 -7.490 1.00 5.14 C ATOM 1468 CG GLU A 92 -9.381 -3.752 -8.901 1.00 22.35 C ATOM 1469 CD GLU A 92 -10.655 -4.537 -9.144 1.00 62.04 C ATOM 1470 OE1 GLU A 92 -11.209 -5.086 -8.168 1.00 11.05 O ATOM 1471 OE2 GLU A 92 -11.099 -4.602 -10.310 1.00 62.43 O ATOM 0 H GLU A 92 -8.398 -1.652 -6.080 1.00 41.25 H new ATOM 0 HA GLU A 92 -10.759 -3.330 -6.708 1.00 51.41 H new ATOM 0 HB2 GLU A 92 -7.837 -3.516 -7.440 1.00 5.14 H new ATOM 0 HB3 GLU A 92 -8.770 -4.989 -7.267 1.00 5.14 H new ATOM 0 HG2 GLU A 92 -9.570 -2.695 -9.087 1.00 22.35 H new ATOM 0 HG3 GLU A 92 -8.621 -4.070 -9.615 1.00 22.35 H new ATOM 1478 N LYS A 93 -10.624 -4.439 -4.514 1.00 72.20 N ATOM 1479 CA LYS A 93 -10.584 -5.136 -3.234 1.00 13.32 C ATOM 1480 C LYS A 93 -9.847 -6.464 -3.361 1.00 75.53 C ATOM 1481 O LYS A 93 -10.275 -7.356 -4.093 1.00 74.54 O ATOM 1482 CB LYS A 93 -12.004 -5.376 -2.716 1.00 2.13 C ATOM 1483 CG LYS A 93 -12.817 -4.103 -2.559 1.00 52.12 C ATOM 1484 CD LYS A 93 -14.288 -4.340 -2.855 1.00 4.41 C ATOM 1485 CE LYS A 93 -14.637 -3.960 -4.286 1.00 14.43 C ATOM 1486 NZ LYS A 93 -16.108 -3.934 -4.511 1.00 3.21 N ATOM 0 H LYS A 93 -11.556 -4.359 -4.921 1.00 72.20 H new ATOM 0 HA LYS A 93 -10.046 -4.508 -2.524 1.00 13.32 H new ATOM 0 HB2 LYS A 93 -12.523 -6.047 -3.401 1.00 2.13 H new ATOM 0 HB3 LYS A 93 -11.950 -5.884 -1.753 1.00 2.13 H new ATOM 0 HG2 LYS A 93 -12.706 -3.722 -1.544 1.00 52.12 H new ATOM 0 HG3 LYS A 93 -12.429 -3.337 -3.231 1.00 52.12 H new ATOM 0 HD2 LYS A 93 -14.530 -5.390 -2.687 1.00 4.41 H new ATOM 0 HD3 LYS A 93 -14.898 -3.758 -2.164 1.00 4.41 H new ATOM 0 HE2 LYS A 93 -14.218 -2.980 -4.514 1.00 14.43 H new ATOM 0 HE3 LYS A 93 -14.177 -4.671 -4.973 1.00 14.43 H new ATOM 0 HZ1 LYS A 93 -16.304 -3.671 -5.498 1.00 3.21 H new ATOM 0 HZ2 LYS A 93 -16.505 -4.876 -4.318 1.00 3.21 H new ATOM 0 HZ3 LYS A 93 -16.544 -3.237 -3.874 1.00 3.21 H new ATOM 1500 N VAL A 94 -8.735 -6.590 -2.642 1.00 44.31 N ATOM 1501 CA VAL A 94 -7.939 -7.811 -2.672 1.00 64.45 C ATOM 1502 C VAL A 94 -7.549 -8.248 -1.264 1.00 43.15 C ATOM 1503 O VAL A 94 -7.181 -7.424 -0.426 1.00 43.12 O ATOM 1504 CB VAL A 94 -6.661 -7.628 -3.512 1.00 43.02 C ATOM 1505 CG1 VAL A 94 -7.008 -7.144 -4.912 1.00 43.43 C ATOM 1506 CG2 VAL A 94 -5.707 -6.662 -2.826 1.00 4.20 C ATOM 0 H VAL A 94 -8.366 -5.861 -2.032 1.00 44.31 H new ATOM 0 HA VAL A 94 -8.559 -8.581 -3.130 1.00 64.45 H new ATOM 0 HB VAL A 94 -6.163 -8.593 -3.600 1.00 43.02 H new ATOM 0 HG11 VAL A 94 -6.093 -7.020 -5.491 1.00 43.43 H new ATOM 0 HG12 VAL A 94 -7.651 -7.876 -5.401 1.00 43.43 H new ATOM 0 HG13 VAL A 94 -7.529 -6.189 -4.848 1.00 43.43 H new ATOM 0 HG21 VAL A 94 -4.809 -6.544 -3.433 1.00 4.20 H new ATOM 0 HG22 VAL A 94 -6.193 -5.694 -2.706 1.00 4.20 H new ATOM 0 HG23 VAL A 94 -5.434 -7.055 -1.847 1.00 4.20 H new ATOM 1516 N LYS A 95 -7.633 -9.549 -1.009 1.00 2.13 N ATOM 1517 CA LYS A 95 -7.288 -10.098 0.297 1.00 11.30 C ATOM 1518 C LYS A 95 -5.847 -10.598 0.313 1.00 63.10 C ATOM 1519 O LYS A 95 -5.160 -10.505 1.330 1.00 74.20 O ATOM 1520 CB LYS A 95 -8.240 -11.240 0.661 1.00 40.11 C ATOM 1521 CG LYS A 95 -9.369 -10.820 1.587 1.00 13.41 C ATOM 1522 CD LYS A 95 -9.387 -11.652 2.858 1.00 13.03 C ATOM 1523 CE LYS A 95 -10.181 -12.936 2.671 1.00 40.10 C ATOM 1524 NZ LYS A 95 -9.390 -14.138 3.056 1.00 44.12 N ATOM 0 H LYS A 95 -7.938 -10.244 -1.691 1.00 2.13 H new ATOM 0 HA LYS A 95 -7.386 -9.302 1.036 1.00 11.30 H new ATOM 0 HB2 LYS A 95 -8.666 -11.652 -0.254 1.00 40.11 H new ATOM 0 HB3 LYS A 95 -7.671 -12.039 1.136 1.00 40.11 H new ATOM 0 HG2 LYS A 95 -9.258 -9.766 1.843 1.00 13.41 H new ATOM 0 HG3 LYS A 95 -10.323 -10.924 1.070 1.00 13.41 H new ATOM 0 HD2 LYS A 95 -8.365 -11.894 3.151 1.00 13.03 H new ATOM 0 HD3 LYS A 95 -9.822 -11.069 3.670 1.00 13.03 H new ATOM 0 HE2 LYS A 95 -11.090 -12.892 3.271 1.00 40.10 H new ATOM 0 HE3 LYS A 95 -10.491 -13.023 1.630 1.00 40.10 H new ATOM 0 HZ1 LYS A 95 -9.966 -14.992 2.914 1.00 44.12 H new ATOM 0 HZ2 LYS A 95 -8.535 -14.195 2.466 1.00 44.12 H new ATOM 0 HZ3 LYS A 95 -9.116 -14.067 4.057 1.00 44.12 H new ATOM 1538 N ASP A 96 -5.397 -11.128 -0.819 1.00 4.43 N ATOM 1539 CA ASP A 96 -4.036 -11.640 -0.936 1.00 64.14 C ATOM 1540 C ASP A 96 -3.367 -11.121 -2.204 1.00 21.34 C ATOM 1541 O ASP A 96 -3.933 -10.301 -2.927 1.00 23.15 O ATOM 1542 CB ASP A 96 -4.044 -13.170 -0.936 1.00 73.21 C ATOM 1543 CG ASP A 96 -5.020 -13.743 -1.944 1.00 24.11 C ATOM 1544 OD1 ASP A 96 -6.225 -13.821 -1.624 1.00 12.41 O ATOM 1545 OD2 ASP A 96 -4.581 -14.117 -3.052 1.00 51.55 O ATOM 0 H ASP A 96 -5.955 -11.214 -1.669 1.00 4.43 H new ATOM 0 HA ASP A 96 -3.465 -11.287 -0.077 1.00 64.14 H new ATOM 0 HB2 ASP A 96 -3.041 -13.536 -1.157 1.00 73.21 H new ATOM 0 HB3 ASP A 96 -4.302 -13.529 0.060 1.00 73.21 H new ATOM 1550 N THR A 97 -2.157 -11.604 -2.469 1.00 62.14 N ATOM 1551 CA THR A 97 -1.409 -11.187 -3.647 1.00 21.43 C ATOM 1552 C THR A 97 -1.891 -11.923 -4.892 1.00 14.01 C ATOM 1553 O THR A 97 -2.037 -11.327 -5.959 1.00 40.55 O ATOM 1554 CB THR A 97 0.101 -11.435 -3.471 1.00 71.02 C ATOM 1555 OG1 THR A 97 0.595 -10.681 -2.359 1.00 65.43 O ATOM 1556 CG2 THR A 97 0.864 -11.049 -4.730 1.00 43.40 C ATOM 0 H THR A 97 -1.675 -12.285 -1.883 1.00 62.14 H new ATOM 0 HA THR A 97 -1.582 -10.118 -3.769 1.00 21.43 H new ATOM 0 HB THR A 97 0.252 -12.498 -3.285 1.00 71.02 H new ATOM 0 HG1 THR A 97 1.156 -11.256 -1.797 1.00 65.43 H new ATOM 0 HG21 THR A 97 1.928 -11.233 -4.581 1.00 43.40 H new ATOM 0 HG22 THR A 97 0.506 -11.645 -5.569 1.00 43.40 H new ATOM 0 HG23 THR A 97 0.705 -9.992 -4.942 1.00 43.40 H new ATOM 1564 N GLU A 98 -2.137 -13.222 -4.749 1.00 42.03 N ATOM 1565 CA GLU A 98 -2.603 -14.038 -5.864 1.00 40.13 C ATOM 1566 C GLU A 98 -3.887 -13.465 -6.457 1.00 33.45 C ATOM 1567 O GLU A 98 -4.035 -13.378 -7.675 1.00 31.34 O ATOM 1568 CB GLU A 98 -2.838 -15.479 -5.406 1.00 1.00 C ATOM 1569 CG GLU A 98 -1.730 -16.436 -5.816 1.00 44.44 C ATOM 1570 CD GLU A 98 -2.229 -17.560 -6.703 1.00 30.31 C ATOM 1571 OE1 GLU A 98 -2.709 -18.576 -6.158 1.00 4.02 O ATOM 1572 OE2 GLU A 98 -2.139 -17.425 -7.940 1.00 13.24 O ATOM 0 H GLU A 98 -2.021 -13.731 -3.873 1.00 42.03 H new ATOM 0 HA GLU A 98 -1.832 -14.030 -6.635 1.00 40.13 H new ATOM 0 HB2 GLU A 98 -2.937 -15.495 -4.321 1.00 1.00 H new ATOM 0 HB3 GLU A 98 -3.783 -15.833 -5.818 1.00 1.00 H new ATOM 0 HG2 GLU A 98 -0.952 -15.882 -6.341 1.00 44.44 H new ATOM 0 HG3 GLU A 98 -1.272 -16.860 -4.922 1.00 44.44 H new ATOM 1579 N GLY A 99 -4.813 -13.077 -5.587 1.00 71.42 N ATOM 1580 CA GLY A 99 -6.073 -12.519 -6.043 1.00 52.21 C ATOM 1581 C GLY A 99 -5.887 -11.246 -6.844 1.00 71.15 C ATOM 1582 O GLY A 99 -6.559 -11.035 -7.852 1.00 30.12 O ATOM 0 H GLY A 99 -4.714 -13.139 -4.574 1.00 71.42 H new ATOM 0 HA2 GLY A 99 -6.593 -13.256 -6.654 1.00 52.21 H new ATOM 0 HA3 GLY A 99 -6.709 -12.313 -5.182 1.00 52.21 H new ATOM 1586 N ALA A 100 -4.972 -10.393 -6.392 1.00 30.10 N ATOM 1587 CA ALA A 100 -4.699 -9.134 -7.074 1.00 21.35 C ATOM 1588 C ALA A 100 -4.059 -9.375 -8.437 1.00 64.40 C ATOM 1589 O ALA A 100 -4.354 -8.675 -9.406 1.00 45.33 O ATOM 1590 CB ALA A 100 -3.802 -8.253 -6.217 1.00 22.53 C ATOM 0 H ALA A 100 -4.408 -10.552 -5.557 1.00 30.10 H new ATOM 0 HA ALA A 100 -5.648 -8.623 -7.233 1.00 21.35 H new ATOM 0 HB1 ALA A 100 -3.606 -7.316 -6.739 1.00 22.53 H new ATOM 0 HB2 ALA A 100 -4.297 -8.044 -5.269 1.00 22.53 H new ATOM 0 HB3 ALA A 100 -2.859 -8.767 -6.029 1.00 22.53 H new ATOM 1596 N LYS A 101 -3.183 -10.370 -8.507 1.00 72.24 N ATOM 1597 CA LYS A 101 -2.501 -10.705 -9.751 1.00 72.24 C ATOM 1598 C LYS A 101 -3.504 -11.081 -10.837 1.00 31.22 C ATOM 1599 O LYS A 101 -3.286 -10.807 -12.016 1.00 4.52 O ATOM 1600 CB LYS A 101 -1.521 -11.859 -9.526 1.00 63.21 C ATOM 1601 CG LYS A 101 -0.331 -11.487 -8.658 1.00 1.42 C ATOM 1602 CD LYS A 101 0.419 -12.719 -8.182 1.00 31.23 C ATOM 1603 CE LYS A 101 1.055 -13.468 -9.343 1.00 20.42 C ATOM 1604 NZ LYS A 101 0.724 -14.920 -9.314 1.00 71.22 N ATOM 0 H LYS A 101 -2.928 -10.960 -7.715 1.00 72.24 H new ATOM 0 HA LYS A 101 -1.947 -9.826 -10.080 1.00 72.24 H new ATOM 0 HB2 LYS A 101 -2.052 -12.690 -9.062 1.00 63.21 H new ATOM 0 HB3 LYS A 101 -1.159 -12.211 -10.492 1.00 63.21 H new ATOM 0 HG2 LYS A 101 0.345 -10.844 -9.222 1.00 1.42 H new ATOM 0 HG3 LYS A 101 -0.673 -10.913 -7.797 1.00 1.42 H new ATOM 0 HD2 LYS A 101 1.191 -12.424 -7.471 1.00 31.23 H new ATOM 0 HD3 LYS A 101 -0.266 -13.381 -7.652 1.00 31.23 H new ATOM 0 HE2 LYS A 101 0.714 -13.036 -10.284 1.00 20.42 H new ATOM 0 HE3 LYS A 101 2.137 -13.341 -9.308 1.00 20.42 H new ATOM 0 HZ1 LYS A 101 1.176 -15.395 -10.121 1.00 71.22 H new ATOM 0 HZ2 LYS A 101 1.072 -15.338 -8.427 1.00 71.22 H new ATOM 0 HZ3 LYS A 101 -0.307 -15.042 -9.373 1.00 71.22 H new ATOM 1618 N GLN A 102 -4.603 -11.708 -10.430 1.00 42.41 N ATOM 1619 CA GLN A 102 -5.639 -12.120 -11.369 1.00 43.23 C ATOM 1620 C GLN A 102 -6.427 -10.915 -11.872 1.00 4.35 C ATOM 1621 O GLN A 102 -6.704 -10.797 -13.066 1.00 24.34 O ATOM 1622 CB GLN A 102 -6.586 -13.123 -10.709 1.00 44.03 C ATOM 1623 CG GLN A 102 -6.712 -14.432 -11.469 1.00 64.51 C ATOM 1624 CD GLN A 102 -7.522 -15.470 -10.717 1.00 61.02 C ATOM 1625 OE1 GLN A 102 -8.715 -15.285 -10.471 1.00 34.24 O ATOM 1626 NE2 GLN A 102 -6.878 -16.570 -10.345 1.00 55.44 N ATOM 0 H GLN A 102 -4.799 -11.942 -9.457 1.00 42.41 H new ATOM 0 HA GLN A 102 -5.153 -12.596 -12.221 1.00 43.23 H new ATOM 0 HB2 GLN A 102 -6.234 -13.332 -9.699 1.00 44.03 H new ATOM 0 HB3 GLN A 102 -7.573 -12.670 -10.615 1.00 44.03 H new ATOM 0 HG2 GLN A 102 -7.179 -14.243 -12.435 1.00 64.51 H new ATOM 0 HG3 GLN A 102 -5.717 -14.829 -11.669 1.00 64.51 H new ATOM 0 HE21 GLN A 102 -5.889 -16.683 -10.569 1.00 55.44 H new ATOM 0 HE22 GLN A 102 -7.372 -17.302 -9.835 1.00 55.44 H new ATOM 1635 N ILE A 103 -6.784 -10.022 -10.955 1.00 4.01 N ATOM 1636 CA ILE A 103 -7.540 -8.826 -11.307 1.00 4.32 C ATOM 1637 C ILE A 103 -6.795 -7.991 -12.343 1.00 61.11 C ATOM 1638 O ILE A 103 -7.364 -7.588 -13.358 1.00 63.22 O ATOM 1639 CB ILE A 103 -7.824 -7.956 -10.069 1.00 0.55 C ATOM 1640 CG1 ILE A 103 -8.636 -8.743 -9.040 1.00 71.44 C ATOM 1641 CG2 ILE A 103 -8.559 -6.686 -10.472 1.00 33.11 C ATOM 1642 CD1 ILE A 103 -8.850 -7.998 -7.741 1.00 24.23 C ATOM 0 H ILE A 103 -6.562 -10.104 -9.963 1.00 4.01 H new ATOM 0 HA ILE A 103 -8.487 -9.163 -11.729 1.00 4.32 H new ATOM 0 HB ILE A 103 -6.874 -7.675 -9.615 1.00 0.55 H new ATOM 0 HG12 ILE A 103 -9.606 -8.994 -9.469 1.00 71.44 H new ATOM 0 HG13 ILE A 103 -8.127 -9.684 -8.830 1.00 71.44 H new ATOM 0 HG21 ILE A 103 -8.753 -6.081 -9.586 1.00 33.11 H new ATOM 0 HG22 ILE A 103 -7.947 -6.118 -11.172 1.00 33.11 H new ATOM 0 HG23 ILE A 103 -9.505 -6.948 -10.947 1.00 33.11 H new ATOM 0 HD11 ILE A 103 -9.433 -8.616 -7.059 1.00 24.23 H new ATOM 0 HD12 ILE A 103 -7.885 -7.770 -7.289 1.00 24.23 H new ATOM 0 HD13 ILE A 103 -9.386 -7.070 -7.938 1.00 24.23 H new ATOM 1654 N VAL A 104 -5.518 -7.735 -12.081 1.00 70.10 N ATOM 1655 CA VAL A 104 -4.693 -6.950 -12.991 1.00 10.02 C ATOM 1656 C VAL A 104 -4.589 -7.621 -14.357 1.00 73.55 C ATOM 1657 O VAL A 104 -4.832 -6.996 -15.388 1.00 13.40 O ATOM 1658 CB VAL A 104 -3.275 -6.739 -12.425 1.00 25.35 C ATOM 1659 CG1 VAL A 104 -2.417 -5.960 -13.410 1.00 44.43 C ATOM 1660 CG2 VAL A 104 -3.339 -6.029 -11.082 1.00 50.35 C ATOM 0 H VAL A 104 -5.032 -8.060 -11.245 1.00 70.10 H new ATOM 0 HA VAL A 104 -5.179 -5.981 -13.102 1.00 10.02 H new ATOM 0 HB VAL A 104 -2.814 -7.715 -12.273 1.00 25.35 H new ATOM 0 HG11 VAL A 104 -1.420 -5.821 -12.993 1.00 44.43 H new ATOM 0 HG12 VAL A 104 -2.345 -6.513 -14.346 1.00 44.43 H new ATOM 0 HG13 VAL A 104 -2.871 -4.987 -13.598 1.00 44.43 H new ATOM 0 HG21 VAL A 104 -2.329 -5.888 -10.696 1.00 50.35 H new ATOM 0 HG22 VAL A 104 -3.819 -5.058 -11.206 1.00 50.35 H new ATOM 0 HG23 VAL A 104 -3.915 -6.631 -10.379 1.00 50.35 H new ATOM 1670 N ARG A 105 -4.225 -8.900 -14.354 1.00 12.21 N ATOM 1671 CA ARG A 105 -4.088 -9.657 -15.593 1.00 63.32 C ATOM 1672 C ARG A 105 -5.377 -9.606 -16.407 1.00 65.11 C ATOM 1673 O ARG A 105 -5.367 -9.240 -17.582 1.00 22.23 O ATOM 1674 CB ARG A 105 -3.721 -11.110 -15.288 1.00 25.53 C ATOM 1675 CG ARG A 105 -3.135 -11.853 -16.478 1.00 41.13 C ATOM 1676 CD ARG A 105 -2.714 -13.265 -16.101 1.00 2.24 C ATOM 1677 NE ARG A 105 -3.121 -14.243 -17.107 1.00 40.10 N ATOM 1678 CZ ARG A 105 -2.511 -14.393 -18.276 1.00 35.12 C ATOM 1679 NH1 ARG A 105 -1.470 -13.632 -18.587 1.00 44.10 N ATOM 1680 NH2 ARG A 105 -2.940 -15.306 -19.138 1.00 3.43 N ATOM 0 H ARG A 105 -4.020 -9.433 -13.509 1.00 12.21 H new ATOM 0 HA ARG A 105 -3.290 -9.203 -16.181 1.00 63.32 H new ATOM 0 HB2 ARG A 105 -3.003 -11.130 -14.468 1.00 25.53 H new ATOM 0 HB3 ARG A 105 -4.612 -11.636 -14.944 1.00 25.53 H new ATOM 0 HG2 ARG A 105 -3.871 -11.894 -17.281 1.00 41.13 H new ATOM 0 HG3 ARG A 105 -2.274 -11.306 -16.862 1.00 41.13 H new ATOM 0 HD2 ARG A 105 -1.632 -13.300 -15.978 1.00 2.24 H new ATOM 0 HD3 ARG A 105 -3.153 -13.530 -15.139 1.00 2.24 H new ATOM 0 HE ARG A 105 -3.918 -14.844 -16.899 1.00 40.10 H new ATOM 0 HH11 ARG A 105 -1.137 -12.929 -17.927 1.00 44.10 H new ATOM 0 HH12 ARG A 105 -1.003 -13.749 -19.486 1.00 44.10 H new ATOM 0 HH21 ARG A 105 -3.740 -15.894 -18.903 1.00 3.43 H new ATOM 0 HH22 ARG A 105 -2.470 -15.420 -20.036 1.00 3.43 H new ATOM 1694 N ARG A 106 -6.486 -9.975 -15.773 1.00 21.20 N ATOM 1695 CA ARG A 106 -7.784 -9.973 -16.439 1.00 14.43 C ATOM 1696 C ARG A 106 -8.100 -8.593 -17.007 1.00 4.13 C ATOM 1697 O ARG A 106 -8.816 -8.469 -18.003 1.00 55.14 O ATOM 1698 CB ARG A 106 -8.882 -10.399 -15.464 1.00 60.32 C ATOM 1699 CG ARG A 106 -9.352 -11.830 -15.663 1.00 33.53 C ATOM 1700 CD ARG A 106 -9.915 -12.417 -14.378 1.00 10.35 C ATOM 1701 NE ARG A 106 -11.371 -12.520 -14.415 1.00 3.40 N ATOM 1702 CZ ARG A 106 -12.121 -12.730 -13.339 1.00 54.41 C ATOM 1703 NH1 ARG A 106 -11.553 -12.858 -12.147 1.00 3.23 N ATOM 1704 NH2 ARG A 106 -13.440 -12.810 -13.453 1.00 65.43 N ATOM 0 H ARG A 106 -6.512 -10.279 -14.800 1.00 21.20 H new ATOM 0 HA ARG A 106 -7.743 -10.686 -17.263 1.00 14.43 H new ATOM 0 HB2 ARG A 106 -8.515 -10.285 -14.444 1.00 60.32 H new ATOM 0 HB3 ARG A 106 -9.734 -9.727 -15.573 1.00 60.32 H new ATOM 0 HG2 ARG A 106 -10.114 -11.858 -16.442 1.00 33.53 H new ATOM 0 HG3 ARG A 106 -8.520 -12.442 -16.010 1.00 33.53 H new ATOM 0 HD2 ARG A 106 -9.486 -13.405 -14.212 1.00 10.35 H new ATOM 0 HD3 ARG A 106 -9.617 -11.795 -13.534 1.00 10.35 H new ATOM 0 HE ARG A 106 -11.838 -12.425 -15.317 1.00 3.40 H new ATOM 0 HH11 ARG A 106 -10.539 -12.795 -12.056 1.00 3.23 H new ATOM 0 HH12 ARG A 106 -12.130 -13.019 -11.322 1.00 3.23 H new ATOM 0 HH21 ARG A 106 -13.880 -12.710 -14.368 1.00 65.43 H new ATOM 0 HH22 ARG A 106 -14.015 -12.971 -12.626 1.00 65.43 H new ATOM 1718 N HIS A 107 -7.565 -7.557 -16.368 1.00 30.51 N ATOM 1719 CA HIS A 107 -7.790 -6.186 -16.809 1.00 2.42 C ATOM 1720 C HIS A 107 -6.959 -5.871 -18.051 1.00 74.21 C ATOM 1721 O HIS A 107 -7.486 -5.185 -18.927 1.00 22.42 O ATOM 1722 CB HIS A 107 -7.445 -5.204 -15.690 1.00 53.40 C ATOM 1723 CG HIS A 107 -8.596 -4.907 -14.778 1.00 71.02 C ATOM 1724 ND1 HIS A 107 -9.828 -4.486 -15.232 1.00 23.55 N ATOM 1725 CD2 HIS A 107 -8.698 -4.974 -13.429 1.00 34.31 C ATOM 1726 CE1 HIS A 107 -10.637 -4.307 -14.203 1.00 41.12 C ATOM 1727 NE2 HIS A 107 -9.975 -4.597 -13.097 1.00 20.13 N ATOM 0 H HIS A 107 -6.972 -7.642 -15.542 1.00 30.51 H new ATOM 0 HA HIS A 107 -8.845 -6.081 -17.062 1.00 2.42 H new ATOM 0 HB2 HIS A 107 -6.622 -5.610 -15.102 1.00 53.40 H new ATOM 0 HB3 HIS A 107 -7.092 -4.272 -16.132 1.00 53.40 H new ATOM 0 HD2 HIS A 107 -7.919 -5.269 -12.742 1.00 34.31 H new ATOM 0 HE1 HIS A 107 -11.665 -3.979 -14.257 1.00 41.12 H new ATOM 0 HE2 HIS A 107 -10.352 -4.549 -12.150 1.00 20.13 H new ATOM 1735 N LEU A 108 -5.718 -6.337 -18.146 1.00 65.04 N ATOM 1736 CA LEU A 108 -4.886 -6.064 -19.312 1.00 13.23 C ATOM 1737 C LEU A 108 -5.407 -6.807 -20.538 1.00 13.25 C ATOM 1738 O LEU A 108 -5.409 -6.270 -21.648 1.00 65.03 O ATOM 1739 CB LEU A 108 -3.436 -6.467 -19.035 1.00 4.41 C ATOM 1740 CG LEU A 108 -2.729 -5.700 -17.916 1.00 23.11 C ATOM 1741 CD1 LEU A 108 -1.743 -6.602 -17.193 1.00 73.41 C ATOM 1742 CD2 LEU A 108 -2.024 -4.473 -18.475 1.00 72.43 C ATOM 0 H LEU A 108 -5.266 -6.905 -17.430 1.00 65.04 H new ATOM 0 HA LEU A 108 -4.926 -4.994 -19.514 1.00 13.23 H new ATOM 0 HB2 LEU A 108 -3.415 -7.529 -18.790 1.00 4.41 H new ATOM 0 HB3 LEU A 108 -2.863 -6.341 -19.953 1.00 4.41 H new ATOM 0 HG LEU A 108 -3.478 -5.367 -17.198 1.00 23.11 H new ATOM 0 HD11 LEU A 108 -1.249 -6.040 -16.400 1.00 73.41 H new ATOM 0 HD12 LEU A 108 -2.275 -7.449 -16.760 1.00 73.41 H new ATOM 0 HD13 LEU A 108 -0.996 -6.965 -17.899 1.00 73.41 H new ATOM 0 HD21 LEU A 108 -1.526 -3.939 -17.666 1.00 72.43 H new ATOM 0 HD22 LEU A 108 -1.285 -4.783 -19.214 1.00 72.43 H new ATOM 0 HD23 LEU A 108 -2.755 -3.817 -18.947 1.00 72.43 H new