USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 593 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 68 ASN : amide:sc= -7.59! C(o=-10!,f=-9.6!) USER MOD Set 1.2: A 72 LYS NZ :NH3+ -146:sc= -2.63! (180deg=-5.24!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 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 19 TYR OH : rot 180:sc= -0.429 USER MOD Single : A 27 TYR OH : rot 85:sc= -2.92! USER MOD Single : A 28 SER OG : rot 34:sc= 0.815 USER MOD Single : A 29 THR OG1 : rot 152:sc= -1.58! USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.00284 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 6:sc= 1.06 USER MOD Single : A 36 THR OG1 : rot -115:sc= -1.27! USER MOD Single : A 37 SER OG : rot 180:sc= -0.754 USER MOD Single : A 38 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.218) USER MOD Single : A 39 LYS NZ :NH3+ 159:sc= -0.1 (180deg=-0.665) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0133 USER MOD Single : A 46 GLN : amide:sc= -0.0251 X(o=-0.025,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.418 X(o=-0.42,f=-0.42) USER MOD Single : A 58 THR OG1 : rot 48:sc= 0.111 USER MOD Single : A 59 THR OG1 : rot -168:sc= 0.649 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 CYS SG : rot -56:sc= -14.1! USER MOD Single : A 73 TYR OH : rot 80:sc= -4.14! USER MOD Single : A 75 TYR OH : rot 100:sc= 1.18 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 28:sc= 0.193 USER MOD ----------------------------------------------------------------- ATOM 102 N PHE A 13 4.340 -9.936 7.835 1.00 0.00 N ATOM 103 CA PHE A 13 4.209 -9.635 6.419 1.00 0.00 C ATOM 104 C PHE A 13 5.222 -10.432 5.594 1.00 0.00 C ATOM 105 O PHE A 13 4.852 -11.104 4.632 1.00 0.00 O ATOM 106 CB PHE A 13 4.494 -8.142 6.251 1.00 0.00 C ATOM 107 CG PHE A 13 5.128 -7.777 4.907 1.00 0.00 C ATOM 108 CD1 PHE A 13 6.481 -7.790 4.768 1.00 0.00 C ATOM 109 CD2 PHE A 13 4.339 -7.440 3.852 1.00 0.00 C ATOM 110 CE1 PHE A 13 7.070 -7.451 3.520 1.00 0.00 C ATOM 111 CE2 PHE A 13 4.928 -7.101 2.605 1.00 0.00 C ATOM 112 CZ PHE A 13 6.281 -7.114 2.465 1.00 0.00 C ATOM 0 HA PHE A 13 3.210 -9.900 6.073 1.00 0.00 H new ATOM 0 HB2 PHE A 13 3.561 -7.590 6.363 1.00 0.00 H new ATOM 0 HB3 PHE A 13 5.156 -7.816 7.054 1.00 0.00 H new ATOM 0 HD1 PHE A 13 7.108 -8.058 5.606 1.00 0.00 H new ATOM 0 HD2 PHE A 13 3.265 -7.430 3.962 1.00 0.00 H new ATOM 0 HE1 PHE A 13 8.144 -7.461 3.409 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.301 -6.833 1.767 1.00 0.00 H new ATOM 0 HZ PHE A 13 6.728 -6.857 1.516 1.00 0.00 H new ATOM 122 N ARG A 14 6.479 -10.330 6.000 1.00 0.00 N ATOM 123 CA ARG A 14 7.547 -11.033 5.310 1.00 0.00 C ATOM 124 C ARG A 14 7.300 -12.542 5.345 1.00 0.00 C ATOM 125 O ARG A 14 7.724 -13.266 4.446 1.00 0.00 O ATOM 126 CB ARG A 14 8.906 -10.730 5.946 1.00 0.00 C ATOM 127 CG ARG A 14 9.896 -11.868 5.689 1.00 0.00 C ATOM 128 CD ARG A 14 11.339 -11.384 5.848 1.00 0.00 C ATOM 129 NE ARG A 14 11.685 -11.285 7.284 1.00 0.00 N ATOM 130 CZ ARG A 14 12.948 -11.227 7.756 1.00 0.00 C ATOM 131 NH1 ARG A 14 13.998 -11.259 6.909 1.00 0.00 N ATOM 132 NH2 ARG A 14 13.141 -11.140 9.059 1.00 0.00 N ATOM 0 H ARG A 14 6.782 -9.771 6.798 1.00 0.00 H new ATOM 0 HA ARG A 14 7.557 -10.688 4.276 1.00 0.00 H new ATOM 0 HB2 ARG A 14 9.302 -9.799 5.540 1.00 0.00 H new ATOM 0 HB3 ARG A 14 8.785 -10.584 7.019 1.00 0.00 H new ATOM 0 HG2 ARG A 14 9.704 -12.686 6.384 1.00 0.00 H new ATOM 0 HG3 ARG A 14 9.749 -12.263 4.684 1.00 0.00 H new ATOM 0 HD2 ARG A 14 12.020 -12.073 5.348 1.00 0.00 H new ATOM 0 HD3 ARG A 14 11.460 -10.413 5.369 1.00 0.00 H new ATOM 0 HE ARG A 14 10.921 -11.259 7.959 1.00 0.00 H new ATOM 0 HH11 ARG A 14 13.840 -11.327 5.904 1.00 0.00 H new ATOM 0 HH12 ARG A 14 14.949 -11.215 7.274 1.00 0.00 H new ATOM 0 HH21 ARG A 14 12.342 -11.118 9.693 1.00 0.00 H new ATOM 0 HH22 ARG A 14 14.089 -11.095 9.432 1.00 0.00 H new ATOM 146 N LYS A 15 6.614 -12.972 6.394 1.00 0.00 N ATOM 147 CA LYS A 15 6.305 -14.382 6.559 1.00 0.00 C ATOM 148 C LYS A 15 5.582 -14.891 5.310 1.00 0.00 C ATOM 149 O LYS A 15 6.056 -15.812 4.646 1.00 0.00 O ATOM 150 CB LYS A 15 5.526 -14.612 7.856 1.00 0.00 C ATOM 151 CG LYS A 15 4.544 -15.776 7.706 1.00 0.00 C ATOM 152 CD LYS A 15 3.107 -15.266 7.570 1.00 0.00 C ATOM 153 CE LYS A 15 2.205 -16.332 6.944 1.00 0.00 C ATOM 154 NZ LYS A 15 1.863 -17.372 7.939 1.00 0.00 N ATOM 0 H LYS A 15 6.264 -12.369 7.138 1.00 0.00 H new ATOM 0 HA LYS A 15 7.222 -14.963 6.657 1.00 0.00 H new ATOM 0 HB2 LYS A 15 6.221 -14.820 8.670 1.00 0.00 H new ATOM 0 HB3 LYS A 15 4.983 -13.706 8.124 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.808 -16.369 6.830 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.620 -16.435 8.571 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.721 -14.988 8.551 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.093 -14.366 6.955 1.00 0.00 H new ATOM 0 HE2 LYS A 15 1.294 -15.869 6.566 1.00 0.00 H new ATOM 0 HE3 LYS A 15 2.709 -16.788 6.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 1.251 -18.087 7.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.734 -17.826 8.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 1.363 -16.935 8.740 1.00 0.00 H new ATOM 168 N LYS A 16 4.448 -14.268 5.026 1.00 0.00 N ATOM 169 CA LYS A 16 3.656 -14.646 3.868 1.00 0.00 C ATOM 170 C LYS A 16 4.193 -13.925 2.631 1.00 0.00 C ATOM 171 O LYS A 16 4.134 -14.457 1.523 1.00 0.00 O ATOM 172 CB LYS A 16 2.169 -14.394 4.131 1.00 0.00 C ATOM 173 CG LYS A 16 1.297 -15.276 3.234 1.00 0.00 C ATOM 174 CD LYS A 16 1.316 -16.730 3.709 1.00 0.00 C ATOM 175 CE LYS A 16 1.016 -17.688 2.554 1.00 0.00 C ATOM 176 NZ LYS A 16 2.255 -18.005 1.809 1.00 0.00 N ATOM 0 H LYS A 16 4.059 -13.504 5.578 1.00 0.00 H new ATOM 0 HA LYS A 16 3.746 -15.715 3.677 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.942 -14.596 5.178 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.937 -13.344 3.951 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.273 -14.903 3.236 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.655 -15.221 2.206 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.291 -16.964 4.136 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.580 -16.867 4.501 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.572 -18.605 2.941 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.285 -17.239 1.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.034 -18.656 1.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.662 -17.129 1.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.941 -18.453 2.450 1.00 0.00 H new ATOM 190 N PHE A 17 4.704 -12.724 2.860 1.00 0.00 N ATOM 191 CA PHE A 17 5.251 -11.924 1.778 1.00 0.00 C ATOM 192 C PHE A 17 6.725 -12.257 1.541 1.00 0.00 C ATOM 193 O PHE A 17 7.497 -11.403 1.108 1.00 0.00 O ATOM 194 CB PHE A 17 5.133 -10.458 2.201 1.00 0.00 C ATOM 195 CG PHE A 17 3.703 -9.916 2.175 1.00 0.00 C ATOM 196 CD1 PHE A 17 2.750 -10.471 2.970 1.00 0.00 C ATOM 197 CD2 PHE A 17 3.384 -8.878 1.355 1.00 0.00 C ATOM 198 CE1 PHE A 17 1.423 -9.968 2.946 1.00 0.00 C ATOM 199 CE2 PHE A 17 2.057 -8.375 1.331 1.00 0.00 C ATOM 200 CZ PHE A 17 1.104 -8.930 2.126 1.00 0.00 C ATOM 0 H PHE A 17 4.751 -12.286 3.780 1.00 0.00 H new ATOM 0 HA PHE A 17 4.708 -12.126 0.855 1.00 0.00 H new ATOM 0 HB2 PHE A 17 5.534 -10.348 3.209 1.00 0.00 H new ATOM 0 HB3 PHE A 17 5.753 -9.850 1.543 1.00 0.00 H new ATOM 0 HD1 PHE A 17 3.003 -11.295 3.620 1.00 0.00 H new ATOM 0 HD2 PHE A 17 4.140 -8.437 0.723 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.667 -10.409 3.578 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.804 -7.551 0.681 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.094 -8.547 2.107 1.00 0.00 H new ATOM 210 N LYS A 18 7.072 -13.502 1.834 1.00 0.00 N ATOM 211 CA LYS A 18 8.440 -13.959 1.658 1.00 0.00 C ATOM 212 C LYS A 18 9.043 -13.286 0.423 1.00 0.00 C ATOM 213 O LYS A 18 10.143 -13.635 -0.003 1.00 0.00 O ATOM 214 CB LYS A 18 8.493 -15.487 1.614 1.00 0.00 C ATOM 215 CG LYS A 18 7.905 -16.019 0.306 1.00 0.00 C ATOM 216 CD LYS A 18 7.031 -17.249 0.557 1.00 0.00 C ATOM 217 CE LYS A 18 7.644 -18.497 -0.081 1.00 0.00 C ATOM 218 NZ LYS A 18 7.410 -18.499 -1.543 1.00 0.00 N ATOM 0 H LYS A 18 6.429 -14.208 2.192 1.00 0.00 H new ATOM 0 HA LYS A 18 9.052 -13.667 2.511 1.00 0.00 H new ATOM 0 HB2 LYS A 18 9.525 -15.822 1.715 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.940 -15.898 2.459 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.313 -15.240 -0.174 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.711 -16.276 -0.381 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.915 -17.404 1.630 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.034 -17.080 0.150 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.714 -18.528 0.122 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.209 -19.392 0.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.832 -19.353 -1.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.387 -18.491 -1.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.846 -17.655 -1.966 1.00 0.00 H new ATOM 232 N TYR A 19 8.296 -12.335 -0.117 1.00 0.00 N ATOM 233 CA TYR A 19 8.743 -11.611 -1.295 1.00 0.00 C ATOM 234 C TYR A 19 10.008 -10.805 -0.996 1.00 0.00 C ATOM 235 O TYR A 19 10.011 -9.954 -0.108 1.00 0.00 O ATOM 236 CB TYR A 19 7.610 -10.645 -1.651 1.00 0.00 C ATOM 237 CG TYR A 19 8.090 -9.293 -2.182 1.00 0.00 C ATOM 238 CD1 TYR A 19 8.902 -9.237 -3.296 1.00 0.00 C ATOM 239 CD2 TYR A 19 7.710 -8.128 -1.546 1.00 0.00 C ATOM 240 CE1 TYR A 19 9.353 -7.964 -3.795 1.00 0.00 C ATOM 241 CE2 TYR A 19 8.161 -6.855 -2.045 1.00 0.00 C ATOM 242 CZ TYR A 19 8.960 -6.836 -3.145 1.00 0.00 C ATOM 243 OH TYR A 19 9.386 -5.633 -3.616 1.00 0.00 O ATOM 0 H TYR A 19 7.384 -12.049 0.239 1.00 0.00 H new ATOM 0 HA TYR A 19 8.974 -12.302 -2.105 1.00 0.00 H new ATOM 0 HB2 TYR A 19 6.970 -11.112 -2.400 1.00 0.00 H new ATOM 0 HB3 TYR A 19 6.996 -10.479 -0.766 1.00 0.00 H new ATOM 0 HD1 TYR A 19 9.199 -10.148 -3.794 1.00 0.00 H new ATOM 0 HD2 TYR A 19 7.074 -8.172 -0.674 1.00 0.00 H new ATOM 0 HE1 TYR A 19 9.989 -7.906 -4.666 1.00 0.00 H new ATOM 0 HE2 TYR A 19 7.871 -5.936 -1.557 1.00 0.00 H new ATOM 0 HH TYR A 19 9.026 -4.916 -3.054 1.00 0.00 H new ATOM 253 N ASP A 20 11.054 -11.102 -1.754 1.00 0.00 N ATOM 254 CA ASP A 20 12.323 -10.416 -1.581 1.00 0.00 C ATOM 255 C ASP A 20 12.459 -9.329 -2.649 1.00 0.00 C ATOM 256 O ASP A 20 12.843 -9.613 -3.783 1.00 0.00 O ATOM 257 CB ASP A 20 13.498 -11.383 -1.738 1.00 0.00 C ATOM 258 CG ASP A 20 14.863 -10.718 -1.923 1.00 0.00 C ATOM 259 OD1 ASP A 20 15.030 -9.605 -1.378 1.00 0.00 O ATOM 260 OD2 ASP A 20 15.708 -11.337 -2.604 1.00 0.00 O ATOM 0 H ASP A 20 11.048 -11.809 -2.489 1.00 0.00 H new ATOM 0 HA ASP A 20 12.341 -9.987 -0.579 1.00 0.00 H new ATOM 0 HB2 ASP A 20 13.540 -12.026 -0.859 1.00 0.00 H new ATOM 0 HB3 ASP A 20 13.306 -12.028 -2.595 1.00 0.00 H new ATOM 265 N GLY A 21 12.138 -8.107 -2.249 1.00 0.00 N ATOM 266 CA GLY A 21 12.221 -6.977 -3.158 1.00 0.00 C ATOM 267 C GLY A 21 12.569 -5.692 -2.404 1.00 0.00 C ATOM 268 O GLY A 21 12.921 -5.735 -1.226 1.00 0.00 O ATOM 0 H GLY A 21 11.820 -7.875 -1.308 1.00 0.00 H new ATOM 0 HA2 GLY A 21 12.977 -7.172 -3.919 1.00 0.00 H new ATOM 0 HA3 GLY A 21 11.271 -6.852 -3.677 1.00 0.00 H new ATOM 272 N GLU A 22 12.460 -4.579 -3.114 1.00 0.00 N ATOM 273 CA GLU A 22 12.759 -3.284 -2.527 1.00 0.00 C ATOM 274 C GLU A 22 11.465 -2.539 -2.196 1.00 0.00 C ATOM 275 O GLU A 22 10.919 -1.830 -3.040 1.00 0.00 O ATOM 276 CB GLU A 22 13.648 -2.453 -3.455 1.00 0.00 C ATOM 277 CG GLU A 22 13.937 -1.077 -2.851 1.00 0.00 C ATOM 278 CD GLU A 22 13.931 0.008 -3.930 1.00 0.00 C ATOM 279 OE1 GLU A 22 12.828 0.283 -4.451 1.00 0.00 O ATOM 280 OE2 GLU A 22 15.028 0.537 -4.209 1.00 0.00 O ATOM 0 H GLU A 22 12.169 -4.547 -4.091 1.00 0.00 H new ATOM 0 HA GLU A 22 13.309 -3.446 -1.600 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.585 -2.980 -3.634 1.00 0.00 H new ATOM 0 HB3 GLU A 22 13.159 -2.334 -4.422 1.00 0.00 H new ATOM 0 HG2 GLU A 22 13.189 -0.845 -2.092 1.00 0.00 H new ATOM 0 HG3 GLU A 22 14.905 -1.092 -2.350 1.00 0.00 H new ATOM 287 N ILE A 23 11.011 -2.725 -0.965 1.00 0.00 N ATOM 288 CA ILE A 23 9.790 -2.079 -0.512 1.00 0.00 C ATOM 289 C ILE A 23 10.020 -0.569 -0.425 1.00 0.00 C ATOM 290 O ILE A 23 10.742 -0.097 0.452 1.00 0.00 O ATOM 291 CB ILE A 23 9.308 -2.704 0.798 1.00 0.00 C ATOM 292 CG1 ILE A 23 8.070 -3.574 0.568 1.00 0.00 C ATOM 293 CG2 ILE A 23 9.065 -1.631 1.861 1.00 0.00 C ATOM 294 CD1 ILE A 23 7.819 -4.498 1.761 1.00 0.00 C ATOM 0 H ILE A 23 11.466 -3.314 -0.267 1.00 0.00 H new ATOM 0 HA ILE A 23 8.985 -2.239 -1.229 1.00 0.00 H new ATOM 0 HB ILE A 23 10.095 -3.357 1.174 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.199 -2.938 0.407 1.00 0.00 H new ATOM 0 HG13 ILE A 23 8.202 -4.169 -0.336 1.00 0.00 H new ATOM 0 HG21 ILE A 23 8.723 -2.102 2.782 1.00 0.00 H new ATOM 0 HG22 ILE A 23 9.993 -1.091 2.052 1.00 0.00 H new ATOM 0 HG23 ILE A 23 8.306 -0.933 1.507 1.00 0.00 H new ATOM 0 HD11 ILE A 23 6.934 -5.105 1.571 1.00 0.00 H new ATOM 0 HD12 ILE A 23 8.681 -5.149 1.905 1.00 0.00 H new ATOM 0 HD13 ILE A 23 7.663 -3.899 2.658 1.00 0.00 H new ATOM 306 N ARG A 24 9.391 0.147 -1.346 1.00 0.00 N ATOM 307 CA ARG A 24 9.518 1.594 -1.384 1.00 0.00 C ATOM 308 C ARG A 24 8.274 2.219 -2.020 1.00 0.00 C ATOM 309 O ARG A 24 7.993 1.991 -3.196 1.00 0.00 O ATOM 310 CB ARG A 24 10.755 2.018 -2.177 1.00 0.00 C ATOM 311 CG ARG A 24 10.932 3.537 -2.147 1.00 0.00 C ATOM 312 CD ARG A 24 12.130 3.933 -1.283 1.00 0.00 C ATOM 313 NE ARG A 24 11.681 4.770 -0.148 1.00 0.00 N ATOM 314 CZ ARG A 24 12.479 5.627 0.523 1.00 0.00 C ATOM 315 NH1 ARG A 24 13.777 5.768 0.178 1.00 0.00 N ATOM 316 NH2 ARG A 24 11.973 6.325 1.522 1.00 0.00 N ATOM 0 H ARG A 24 8.792 -0.248 -2.071 1.00 0.00 H new ATOM 0 HA ARG A 24 9.621 1.945 -0.357 1.00 0.00 H new ATOM 0 HB2 ARG A 24 11.640 1.537 -1.761 1.00 0.00 H new ATOM 0 HB3 ARG A 24 10.663 1.679 -3.209 1.00 0.00 H new ATOM 0 HG2 ARG A 24 11.072 3.910 -3.161 1.00 0.00 H new ATOM 0 HG3 ARG A 24 10.028 4.004 -1.757 1.00 0.00 H new ATOM 0 HD2 ARG A 24 12.631 3.040 -0.911 1.00 0.00 H new ATOM 0 HD3 ARG A 24 12.857 4.480 -1.883 1.00 0.00 H new ATOM 0 HE ARG A 24 10.707 4.694 0.146 1.00 0.00 H new ATOM 0 HH11 ARG A 24 14.161 5.225 -0.595 1.00 0.00 H new ATOM 0 HH12 ARG A 24 14.373 6.418 0.690 1.00 0.00 H new ATOM 0 HH21 ARG A 24 10.992 6.213 1.777 1.00 0.00 H new ATOM 0 HH22 ARG A 24 12.563 6.977 2.039 1.00 0.00 H new ATOM 330 N VAL A 25 7.563 2.994 -1.215 1.00 0.00 N ATOM 331 CA VAL A 25 6.356 3.653 -1.684 1.00 0.00 C ATOM 332 C VAL A 25 6.727 4.692 -2.744 1.00 0.00 C ATOM 333 O VAL A 25 7.157 5.795 -2.413 1.00 0.00 O ATOM 334 CB VAL A 25 5.593 4.252 -0.501 1.00 0.00 C ATOM 335 CG1 VAL A 25 4.317 4.954 -0.970 1.00 0.00 C ATOM 336 CG2 VAL A 25 5.277 3.183 0.546 1.00 0.00 C ATOM 0 H VAL A 25 7.800 3.181 -0.241 1.00 0.00 H new ATOM 0 HA VAL A 25 5.686 2.933 -2.154 1.00 0.00 H new ATOM 0 HB VAL A 25 6.234 4.999 -0.033 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.794 5.371 -0.109 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.576 5.756 -1.661 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.671 4.236 -1.474 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.734 3.636 1.376 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.665 2.402 0.095 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.206 2.748 0.914 1.00 0.00 H new ATOM 346 N LEU A 26 6.546 4.302 -3.998 1.00 0.00 N ATOM 347 CA LEU A 26 6.856 5.185 -5.109 1.00 0.00 C ATOM 348 C LEU A 26 5.604 5.979 -5.488 1.00 0.00 C ATOM 349 O LEU A 26 5.664 7.196 -5.657 1.00 0.00 O ATOM 350 CB LEU A 26 7.458 4.394 -6.271 1.00 0.00 C ATOM 351 CG LEU A 26 8.411 5.166 -7.186 1.00 0.00 C ATOM 352 CD1 LEU A 26 8.375 4.608 -8.610 1.00 0.00 C ATOM 353 CD2 LEU A 26 8.110 6.665 -7.150 1.00 0.00 C ATOM 0 H LEU A 26 6.188 3.386 -4.269 1.00 0.00 H new ATOM 0 HA LEU A 26 7.618 5.909 -4.819 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.993 3.537 -5.862 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.642 4.001 -6.878 1.00 0.00 H new ATOM 0 HG LEU A 26 9.427 5.032 -6.813 1.00 0.00 H new ATOM 0 HD11 LEU A 26 9.061 5.174 -9.240 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.674 3.560 -8.598 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.364 4.692 -9.008 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.801 7.191 -7.809 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.087 6.839 -7.484 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.227 7.035 -6.131 1.00 0.00 H new ATOM 365 N TYR A 27 4.500 5.258 -5.612 1.00 0.00 N ATOM 366 CA TYR A 27 3.236 5.879 -5.969 1.00 0.00 C ATOM 367 C TYR A 27 2.148 5.533 -4.950 1.00 0.00 C ATOM 368 O TYR A 27 1.439 4.541 -5.107 1.00 0.00 O ATOM 369 CB TYR A 27 2.848 5.296 -7.329 1.00 0.00 C ATOM 370 CG TYR A 27 2.527 3.800 -7.296 1.00 0.00 C ATOM 371 CD1 TYR A 27 3.550 2.875 -7.250 1.00 0.00 C ATOM 372 CD2 TYR A 27 1.214 3.376 -7.311 1.00 0.00 C ATOM 373 CE1 TYR A 27 3.248 1.468 -7.219 1.00 0.00 C ATOM 374 CE2 TYR A 27 0.911 1.968 -7.280 1.00 0.00 C ATOM 375 CZ TYR A 27 1.943 1.084 -7.236 1.00 0.00 C ATOM 376 OH TYR A 27 1.658 -0.246 -7.206 1.00 0.00 O ATOM 0 H TYR A 27 4.454 4.249 -5.472 1.00 0.00 H new ATOM 0 HA TYR A 27 3.335 6.964 -5.993 1.00 0.00 H new ATOM 0 HB2 TYR A 27 1.980 5.835 -7.710 1.00 0.00 H new ATOM 0 HB3 TYR A 27 3.663 5.467 -8.032 1.00 0.00 H new ATOM 0 HD1 TYR A 27 4.578 3.207 -7.237 1.00 0.00 H new ATOM 0 HD2 TYR A 27 0.413 4.100 -7.346 1.00 0.00 H new ATOM 0 HE1 TYR A 27 4.039 0.734 -7.183 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -0.112 1.623 -7.291 1.00 0.00 H new ATOM 0 HH TYR A 27 1.650 -0.558 -6.277 1.00 0.00 H new ATOM 386 N SER A 28 2.051 6.371 -3.928 1.00 0.00 N ATOM 387 CA SER A 28 1.061 6.167 -2.884 1.00 0.00 C ATOM 388 C SER A 28 -0.337 6.481 -3.419 1.00 0.00 C ATOM 389 O SER A 28 -0.658 7.638 -3.688 1.00 0.00 O ATOM 390 CB SER A 28 1.367 7.031 -1.659 1.00 0.00 C ATOM 391 OG SER A 28 1.292 8.423 -1.955 1.00 0.00 O ATOM 0 H SER A 28 2.642 7.193 -3.801 1.00 0.00 H new ATOM 0 HA SER A 28 1.099 5.122 -2.577 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.663 6.792 -0.862 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.363 6.793 -1.287 1.00 0.00 H new ATOM 0 HG SER A 28 0.594 8.578 -2.625 1.00 0.00 H new ATOM 397 N THR A 29 -1.132 5.430 -3.559 1.00 0.00 N ATOM 398 CA THR A 29 -2.489 5.579 -4.057 1.00 0.00 C ATOM 399 C THR A 29 -3.460 5.814 -2.898 1.00 0.00 C ATOM 400 O THR A 29 -3.154 5.489 -1.752 1.00 0.00 O ATOM 401 CB THR A 29 -2.825 4.341 -4.890 1.00 0.00 C ATOM 402 OG1 THR A 29 -3.810 4.800 -5.813 1.00 0.00 O ATOM 403 CG2 THR A 29 -3.549 3.267 -4.077 1.00 0.00 C ATOM 0 H THR A 29 -0.862 4.472 -3.336 1.00 0.00 H new ATOM 0 HA THR A 29 -2.581 6.455 -4.699 1.00 0.00 H new ATOM 0 HB THR A 29 -1.908 3.924 -5.306 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.766 4.264 -6.632 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.764 2.410 -4.716 1.00 0.00 H new ATOM 0 HG22 THR A 29 -2.917 2.951 -3.247 1.00 0.00 H new ATOM 0 HG23 THR A 29 -4.483 3.673 -3.688 1.00 0.00 H new ATOM 411 N LYS A 30 -4.611 6.376 -3.237 1.00 0.00 N ATOM 412 CA LYS A 30 -5.629 6.658 -2.239 1.00 0.00 C ATOM 413 C LYS A 30 -6.741 5.613 -2.343 1.00 0.00 C ATOM 414 O LYS A 30 -7.165 5.259 -3.442 1.00 0.00 O ATOM 415 CB LYS A 30 -6.125 8.099 -2.372 1.00 0.00 C ATOM 416 CG LYS A 30 -7.307 8.361 -1.437 1.00 0.00 C ATOM 417 CD LYS A 30 -8.573 8.686 -2.232 1.00 0.00 C ATOM 418 CE LYS A 30 -9.725 9.063 -1.298 1.00 0.00 C ATOM 419 NZ LYS A 30 -10.286 10.380 -1.672 1.00 0.00 N ATOM 0 H LYS A 30 -4.861 6.644 -4.189 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.211 6.581 -1.235 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -5.314 8.789 -2.141 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -6.423 8.291 -3.403 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.481 7.486 -0.811 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.070 9.189 -0.769 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -8.374 9.508 -2.920 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.858 7.825 -2.837 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -10.504 8.302 -1.347 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -9.371 9.091 -0.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -11.067 10.620 -1.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -9.544 11.106 -1.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -10.642 10.341 -2.648 1.00 0.00 H new ATOM 433 N VAL A 31 -7.183 5.148 -1.183 1.00 0.00 N ATOM 434 CA VAL A 31 -8.238 4.151 -1.129 1.00 0.00 C ATOM 435 C VAL A 31 -9.565 4.796 -1.533 1.00 0.00 C ATOM 436 O VAL A 31 -10.009 5.756 -0.905 1.00 0.00 O ATOM 437 CB VAL A 31 -8.283 3.511 0.260 1.00 0.00 C ATOM 438 CG1 VAL A 31 -8.871 2.100 0.195 1.00 0.00 C ATOM 439 CG2 VAL A 31 -6.894 3.497 0.902 1.00 0.00 C ATOM 0 H VAL A 31 -6.829 5.444 -0.273 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.039 3.346 -1.837 1.00 0.00 H new ATOM 0 HB VAL A 31 -8.936 4.117 0.887 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -8.892 1.668 1.196 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -9.885 2.146 -0.201 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.255 1.479 -0.456 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.954 3.037 1.888 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.209 2.925 0.276 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.528 4.519 1.000 1.00 0.00 H new ATOM 449 N THR A 32 -10.161 4.243 -2.579 1.00 0.00 N ATOM 450 CA THR A 32 -11.428 4.752 -3.074 1.00 0.00 C ATOM 451 C THR A 32 -12.572 4.323 -2.153 1.00 0.00 C ATOM 452 O THR A 32 -12.351 3.618 -1.170 1.00 0.00 O ATOM 453 CB THR A 32 -11.599 4.274 -4.518 1.00 0.00 C ATOM 454 OG1 THR A 32 -12.726 5.004 -4.995 1.00 0.00 O ATOM 455 CG2 THR A 32 -12.039 2.812 -4.602 1.00 0.00 C ATOM 0 H THR A 32 -9.789 3.447 -3.097 1.00 0.00 H new ATOM 0 HA THR A 32 -11.443 5.842 -3.073 1.00 0.00 H new ATOM 0 HB THR A 32 -10.660 4.402 -5.056 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.906 4.756 -5.926 1.00 0.00 H new ATOM 0 HG21 THR A 32 -12.146 2.524 -5.648 1.00 0.00 H new ATOM 0 HG22 THR A 32 -11.291 2.179 -4.125 1.00 0.00 H new ATOM 0 HG23 THR A 32 -12.995 2.690 -4.093 1.00 0.00 H new ATOM 463 N THR A 33 -13.770 4.767 -2.504 1.00 0.00 N ATOM 464 CA THR A 33 -14.949 4.438 -1.722 1.00 0.00 C ATOM 465 C THR A 33 -15.451 3.037 -2.076 1.00 0.00 C ATOM 466 O THR A 33 -16.247 2.454 -1.342 1.00 0.00 O ATOM 467 CB THR A 33 -15.991 5.534 -1.953 1.00 0.00 C ATOM 468 OG1 THR A 33 -16.855 5.436 -0.824 1.00 0.00 O ATOM 469 CG2 THR A 33 -16.902 5.233 -3.146 1.00 0.00 C ATOM 0 H THR A 33 -13.949 5.352 -3.320 1.00 0.00 H new ATOM 0 HA THR A 33 -14.720 4.407 -0.657 1.00 0.00 H new ATOM 0 HB THR A 33 -15.486 6.487 -2.112 1.00 0.00 H new ATOM 0 HG1 THR A 33 -17.560 6.113 -0.892 1.00 0.00 H new ATOM 0 HG21 THR A 33 -17.623 6.042 -3.266 1.00 0.00 H new ATOM 0 HG22 THR A 33 -16.300 5.146 -4.051 1.00 0.00 H new ATOM 0 HG23 THR A 33 -17.432 4.297 -2.972 1.00 0.00 H new ATOM 477 N SER A 34 -14.965 2.537 -3.203 1.00 0.00 N ATOM 478 CA SER A 34 -15.354 1.215 -3.664 1.00 0.00 C ATOM 479 C SER A 34 -14.314 0.181 -3.227 1.00 0.00 C ATOM 480 O SER A 34 -14.312 -0.947 -3.717 1.00 0.00 O ATOM 481 CB SER A 34 -15.521 1.190 -5.185 1.00 0.00 C ATOM 482 OG SER A 34 -15.516 -0.139 -5.700 1.00 0.00 O ATOM 0 H SER A 34 -14.306 3.024 -3.810 1.00 0.00 H new ATOM 0 HA SER A 34 -16.315 0.965 -3.215 1.00 0.00 H new ATOM 0 HB2 SER A 34 -16.456 1.680 -5.455 1.00 0.00 H new ATOM 0 HB3 SER A 34 -14.716 1.761 -5.648 1.00 0.00 H new ATOM 0 HG SER A 34 -15.508 -0.778 -4.957 1.00 0.00 H new ATOM 488 N ILE A 35 -13.456 0.603 -2.311 1.00 0.00 N ATOM 489 CA ILE A 35 -12.413 -0.272 -1.803 1.00 0.00 C ATOM 490 C ILE A 35 -13.046 -1.360 -0.933 1.00 0.00 C ATOM 491 O ILE A 35 -14.234 -1.297 -0.620 1.00 0.00 O ATOM 492 CB ILE A 35 -11.335 0.540 -1.082 1.00 0.00 C ATOM 493 CG1 ILE A 35 -9.949 0.243 -1.657 1.00 0.00 C ATOM 494 CG2 ILE A 35 -11.391 0.308 0.429 1.00 0.00 C ATOM 495 CD1 ILE A 35 -9.150 -0.665 -0.721 1.00 0.00 C ATOM 0 H ILE A 35 -13.461 1.540 -1.907 1.00 0.00 H new ATOM 0 HA ILE A 35 -11.904 -0.775 -2.626 1.00 0.00 H new ATOM 0 HB ILE A 35 -11.534 1.598 -1.252 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -10.050 -0.233 -2.632 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.408 1.177 -1.813 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.614 0.897 0.917 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -12.367 0.611 0.808 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -11.231 -0.749 0.641 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.169 -0.860 -1.154 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.029 -0.176 0.245 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -9.681 -1.607 -0.587 1.00 0.00 H new ATOM 507 N THR A 36 -12.225 -2.334 -0.568 1.00 0.00 N ATOM 508 CA THR A 36 -12.690 -3.434 0.259 1.00 0.00 C ATOM 509 C THR A 36 -12.972 -2.950 1.682 1.00 0.00 C ATOM 510 O THR A 36 -12.067 -2.486 2.375 1.00 0.00 O ATOM 511 CB THR A 36 -11.644 -4.549 0.193 1.00 0.00 C ATOM 512 OG1 THR A 36 -12.037 -5.455 1.220 1.00 0.00 O ATOM 513 CG2 THR A 36 -10.255 -4.076 0.624 1.00 0.00 C ATOM 0 H THR A 36 -11.241 -2.384 -0.830 1.00 0.00 H new ATOM 0 HA THR A 36 -13.636 -3.832 -0.108 1.00 0.00 H new ATOM 0 HB THR A 36 -11.594 -4.940 -0.823 1.00 0.00 H new ATOM 0 HG1 THR A 36 -11.348 -5.479 1.916 1.00 0.00 H new ATOM 0 HG21 THR A 36 -9.551 -4.906 0.558 1.00 0.00 H new ATOM 0 HG22 THR A 36 -9.926 -3.269 -0.031 1.00 0.00 H new ATOM 0 HG23 THR A 36 -10.296 -3.716 1.652 1.00 0.00 H new ATOM 521 N SER A 37 -14.231 -3.074 2.076 1.00 0.00 N ATOM 522 CA SER A 37 -14.644 -2.654 3.405 1.00 0.00 C ATOM 523 C SER A 37 -15.191 -3.851 4.185 1.00 0.00 C ATOM 524 O SER A 37 -15.110 -3.886 5.412 1.00 0.00 O ATOM 525 CB SER A 37 -15.694 -1.544 3.330 1.00 0.00 C ATOM 526 OG SER A 37 -16.237 -1.410 2.020 1.00 0.00 O ATOM 0 H SER A 37 -14.979 -3.459 1.499 1.00 0.00 H new ATOM 0 HA SER A 37 -13.772 -2.257 3.925 1.00 0.00 H new ATOM 0 HB2 SER A 37 -16.497 -1.757 4.035 1.00 0.00 H new ATOM 0 HB3 SER A 37 -15.245 -0.599 3.634 1.00 0.00 H new ATOM 0 HG SER A 37 -16.904 -0.692 2.014 1.00 0.00 H new ATOM 532 N LYS A 38 -15.736 -4.802 3.441 1.00 0.00 N ATOM 533 CA LYS A 38 -16.297 -5.998 4.048 1.00 0.00 C ATOM 534 C LYS A 38 -15.337 -7.170 3.836 1.00 0.00 C ATOM 535 O LYS A 38 -15.028 -7.902 4.775 1.00 0.00 O ATOM 536 CB LYS A 38 -17.709 -6.255 3.519 1.00 0.00 C ATOM 537 CG LYS A 38 -17.677 -7.173 2.295 1.00 0.00 C ATOM 538 CD LYS A 38 -19.093 -7.510 1.825 1.00 0.00 C ATOM 539 CE LYS A 38 -19.217 -7.367 0.307 1.00 0.00 C ATOM 540 NZ LYS A 38 -18.237 -8.240 -0.377 1.00 0.00 N ATOM 0 H LYS A 38 -15.801 -4.769 2.424 1.00 0.00 H new ATOM 0 HA LYS A 38 -16.405 -5.865 5.124 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -18.318 -6.708 4.302 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -18.181 -5.308 3.256 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -17.128 -6.689 1.487 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -17.143 -8.091 2.539 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -19.345 -8.529 2.119 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -19.809 -6.851 2.315 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -20.227 -7.628 -0.008 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -19.052 -6.329 0.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -18.540 -8.399 -1.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -17.303 -7.784 -0.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -18.179 -9.152 0.119 1.00 0.00 H new ATOM 554 N LYS A 39 -14.892 -7.312 2.596 1.00 0.00 N ATOM 555 CA LYS A 39 -13.974 -8.384 2.248 1.00 0.00 C ATOM 556 C LYS A 39 -12.624 -8.132 2.923 1.00 0.00 C ATOM 557 O LYS A 39 -12.031 -7.067 2.755 1.00 0.00 O ATOM 558 CB LYS A 39 -13.882 -8.539 0.729 1.00 0.00 C ATOM 559 CG LYS A 39 -13.820 -10.015 0.331 1.00 0.00 C ATOM 560 CD LYS A 39 -15.214 -10.554 0.003 1.00 0.00 C ATOM 561 CE LYS A 39 -15.680 -10.068 -1.371 1.00 0.00 C ATOM 562 NZ LYS A 39 -14.790 -10.586 -2.434 1.00 0.00 N ATOM 0 H LYS A 39 -15.150 -6.703 1.820 1.00 0.00 H new ATOM 0 HA LYS A 39 -14.345 -9.339 2.621 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -14.745 -8.068 0.259 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -12.996 -8.022 0.360 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -13.167 -10.135 -0.534 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -13.383 -10.596 1.143 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -15.200 -11.644 0.022 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -15.922 -10.231 0.766 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -16.703 -10.398 -1.552 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -15.688 -8.978 -1.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -15.288 -10.562 -3.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -13.936 -9.995 -2.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -14.519 -11.566 -2.213 1.00 0.00 H new ATOM 576 N TRP A 40 -12.178 -9.129 3.673 1.00 0.00 N ATOM 577 CA TRP A 40 -10.910 -9.028 4.374 1.00 0.00 C ATOM 578 C TRP A 40 -10.253 -10.410 4.363 1.00 0.00 C ATOM 579 O TRP A 40 -10.893 -11.408 4.692 1.00 0.00 O ATOM 580 CB TRP A 40 -11.105 -8.471 5.785 1.00 0.00 C ATOM 581 CG TRP A 40 -11.580 -7.017 5.819 1.00 0.00 C ATOM 582 CD1 TRP A 40 -12.533 -6.478 6.593 1.00 0.00 C ATOM 583 CD2 TRP A 40 -11.082 -5.930 5.010 1.00 0.00 C ATOM 584 NE1 TRP A 40 -12.685 -5.129 6.342 1.00 0.00 N ATOM 585 CE2 TRP A 40 -11.775 -4.786 5.349 1.00 0.00 C ATOM 586 CE3 TRP A 40 -10.080 -5.916 4.024 1.00 0.00 C ATOM 587 CZ2 TRP A 40 -11.540 -3.542 4.751 1.00 0.00 C ATOM 588 CZ3 TRP A 40 -9.858 -4.665 3.435 1.00 0.00 C ATOM 589 CH2 TRP A 40 -10.546 -3.503 3.765 1.00 0.00 C ATOM 0 H TRP A 40 -12.672 -10.011 3.810 1.00 0.00 H new ATOM 0 HA TRP A 40 -10.248 -8.322 3.872 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -11.829 -9.092 6.313 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -10.163 -8.548 6.328 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -13.109 -7.030 7.321 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -13.344 -4.500 6.801 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -9.526 -6.799 3.743 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -12.095 -2.660 5.035 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -9.098 -4.598 2.670 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -10.315 -2.575 3.264 1.00 0.00 H new ATOM 600 N GLY A 41 -8.984 -10.424 3.982 1.00 0.00 N ATOM 601 CA GLY A 41 -8.234 -11.667 3.924 1.00 0.00 C ATOM 602 C GLY A 41 -7.047 -11.637 4.890 1.00 0.00 C ATOM 603 O GLY A 41 -6.607 -10.566 5.304 1.00 0.00 O ATOM 0 H GLY A 41 -8.456 -9.594 3.710 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.888 -12.503 4.172 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.876 -11.833 2.908 1.00 0.00 H new ATOM 607 N THR A 42 -6.564 -12.826 5.220 1.00 0.00 N ATOM 608 CA THR A 42 -5.437 -12.949 6.129 1.00 0.00 C ATOM 609 C THR A 42 -4.238 -12.158 5.602 1.00 0.00 C ATOM 610 O THR A 42 -3.481 -11.580 6.380 1.00 0.00 O ATOM 611 CB THR A 42 -5.146 -14.438 6.322 1.00 0.00 C ATOM 612 OG1 THR A 42 -5.034 -14.945 4.994 1.00 0.00 O ATOM 613 CG2 THR A 42 -6.337 -15.197 6.911 1.00 0.00 C ATOM 0 H THR A 42 -6.932 -13.712 4.874 1.00 0.00 H new ATOM 0 HA THR A 42 -5.666 -12.519 7.104 1.00 0.00 H new ATOM 0 HB THR A 42 -4.282 -14.556 6.975 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.844 -15.906 5.026 1.00 0.00 H new ATOM 0 HG21 THR A 42 -6.077 -16.249 7.027 1.00 0.00 H new ATOM 0 HG22 THR A 42 -6.591 -14.776 7.884 1.00 0.00 H new ATOM 0 HG23 THR A 42 -7.193 -15.107 6.242 1.00 0.00 H new ATOM 621 N ARG A 43 -4.102 -12.159 4.284 1.00 0.00 N ATOM 622 CA ARG A 43 -3.008 -11.449 3.644 1.00 0.00 C ATOM 623 C ARG A 43 -3.467 -10.062 3.192 1.00 0.00 C ATOM 624 O ARG A 43 -2.725 -9.346 2.521 1.00 0.00 O ATOM 625 CB ARG A 43 -2.482 -12.224 2.433 1.00 0.00 C ATOM 626 CG ARG A 43 -1.154 -12.911 2.757 1.00 0.00 C ATOM 627 CD ARG A 43 -0.467 -13.404 1.482 1.00 0.00 C ATOM 628 NE ARG A 43 -0.833 -14.814 1.221 1.00 0.00 N ATOM 629 CZ ARG A 43 -0.520 -15.481 0.090 1.00 0.00 C ATOM 630 NH1 ARG A 43 0.169 -14.870 -0.897 1.00 0.00 N ATOM 631 NH2 ARG A 43 -0.899 -16.739 -0.036 1.00 0.00 N ATOM 0 H ARG A 43 -4.732 -12.640 3.642 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.205 -11.349 4.375 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.216 -12.969 2.127 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.348 -11.544 1.592 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -0.499 -12.215 3.282 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.329 -13.752 3.428 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.761 -12.781 0.637 1.00 0.00 H new ATOM 0 HD3 ARG A 43 0.614 -13.314 1.584 1.00 0.00 H new ATOM 0 HE ARG A 43 -1.355 -15.313 1.941 1.00 0.00 H new ATOM 0 HH11 ARG A 43 0.457 -13.897 -0.791 1.00 0.00 H new ATOM 0 HH12 ARG A 43 0.402 -15.381 -1.749 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -1.420 -17.192 0.715 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -0.671 -17.258 -0.884 1.00 0.00 H new ATOM 645 N ASP A 44 -4.688 -9.723 3.579 1.00 0.00 N ATOM 646 CA ASP A 44 -5.256 -8.434 3.222 1.00 0.00 C ATOM 647 C ASP A 44 -5.230 -7.514 4.445 1.00 0.00 C ATOM 648 O ASP A 44 -5.091 -7.981 5.574 1.00 0.00 O ATOM 649 CB ASP A 44 -6.710 -8.578 2.769 1.00 0.00 C ATOM 650 CG ASP A 44 -7.044 -7.897 1.441 1.00 0.00 C ATOM 651 OD1 ASP A 44 -6.389 -8.256 0.438 1.00 0.00 O ATOM 652 OD2 ASP A 44 -7.946 -7.032 1.457 1.00 0.00 O ATOM 0 H ASP A 44 -5.300 -10.319 4.136 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.664 -8.020 2.406 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -6.945 -9.639 2.685 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -7.358 -8.168 3.543 1.00 0.00 H new ATOM 657 N LEU A 45 -5.368 -6.224 4.178 1.00 0.00 N ATOM 658 CA LEU A 45 -5.362 -5.235 5.243 1.00 0.00 C ATOM 659 C LEU A 45 -6.804 -4.855 5.587 1.00 0.00 C ATOM 660 O LEU A 45 -7.706 -5.020 4.767 1.00 0.00 O ATOM 661 CB LEU A 45 -4.486 -4.040 4.860 1.00 0.00 C ATOM 662 CG LEU A 45 -3.626 -3.453 5.980 1.00 0.00 C ATOM 663 CD1 LEU A 45 -2.531 -4.434 6.403 1.00 0.00 C ATOM 664 CD2 LEU A 45 -3.052 -2.093 5.576 1.00 0.00 C ATOM 0 H LEU A 45 -5.485 -5.840 3.240 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.916 -5.651 6.147 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.829 -4.343 4.045 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.131 -3.251 4.473 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.264 -3.288 6.849 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.934 -3.991 7.201 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.988 -5.357 6.761 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.890 -4.654 5.549 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.445 -1.698 6.390 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.434 -2.209 4.686 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.868 -1.402 5.364 1.00 0.00 H new ATOM 676 N GLN A 46 -6.976 -4.354 6.802 1.00 0.00 N ATOM 677 CA GLN A 46 -8.292 -3.950 7.265 1.00 0.00 C ATOM 678 C GLN A 46 -8.554 -2.486 6.907 1.00 0.00 C ATOM 679 O GLN A 46 -9.259 -1.783 7.629 1.00 0.00 O ATOM 680 CB GLN A 46 -8.439 -4.181 8.770 1.00 0.00 C ATOM 681 CG GLN A 46 -9.747 -3.583 9.292 1.00 0.00 C ATOM 682 CD GLN A 46 -10.284 -4.390 10.476 1.00 0.00 C ATOM 683 OE1 GLN A 46 -10.262 -3.957 11.616 1.00 0.00 O ATOM 684 NE2 GLN A 46 -10.767 -5.584 10.143 1.00 0.00 N ATOM 0 H GLN A 46 -6.225 -4.219 7.479 1.00 0.00 H new ATOM 0 HA GLN A 46 -9.037 -4.566 6.762 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -8.414 -5.250 8.981 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -7.595 -3.732 9.294 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -9.583 -2.549 9.596 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.488 -3.566 8.493 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -10.755 -5.885 9.169 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -11.149 -6.198 10.862 1.00 0.00 H new ATOM 693 N VAL A 47 -7.973 -2.070 5.791 1.00 0.00 N ATOM 694 CA VAL A 47 -8.135 -0.702 5.328 1.00 0.00 C ATOM 695 C VAL A 47 -9.608 -0.451 4.998 1.00 0.00 C ATOM 696 O VAL A 47 -10.372 -1.394 4.798 1.00 0.00 O ATOM 697 CB VAL A 47 -7.203 -0.436 4.144 1.00 0.00 C ATOM 698 CG1 VAL A 47 -5.746 -0.716 4.520 1.00 0.00 C ATOM 699 CG2 VAL A 47 -7.622 -1.256 2.922 1.00 0.00 C ATOM 0 H VAL A 47 -7.390 -2.656 5.194 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.853 0.002 6.111 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.285 0.619 3.883 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.104 -0.519 3.661 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -5.453 -0.070 5.347 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -5.642 -1.759 4.820 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -6.943 -1.049 2.095 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -7.583 -2.318 3.166 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.638 -0.987 2.634 1.00 0.00 H new ATOM 709 N LYS A 48 -9.961 0.825 4.950 1.00 0.00 N ATOM 710 CA LYS A 48 -11.329 1.212 4.647 1.00 0.00 C ATOM 711 C LYS A 48 -11.348 2.031 3.354 1.00 0.00 C ATOM 712 O LYS A 48 -10.346 2.641 2.987 1.00 0.00 O ATOM 713 CB LYS A 48 -11.959 1.932 5.840 1.00 0.00 C ATOM 714 CG LYS A 48 -12.303 3.380 5.488 1.00 0.00 C ATOM 715 CD LYS A 48 -13.132 4.032 6.596 1.00 0.00 C ATOM 716 CE LYS A 48 -14.168 3.054 7.154 1.00 0.00 C ATOM 717 NZ LYS A 48 -15.149 3.766 8.002 1.00 0.00 N ATOM 0 H LYS A 48 -9.324 1.604 5.116 1.00 0.00 H new ATOM 0 HA LYS A 48 -11.945 0.330 4.475 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -12.861 1.406 6.152 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -11.271 1.913 6.685 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.386 3.948 5.333 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -12.857 3.408 4.550 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -12.474 4.367 7.398 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -13.635 4.917 6.206 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -14.683 2.554 6.334 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -13.669 2.280 7.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -15.845 3.088 8.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -14.655 4.223 8.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -15.638 4.488 7.436 1.00 0.00 H new ATOM 731 N PRO A 49 -12.531 2.017 2.683 1.00 0.00 N ATOM 732 CA PRO A 49 -12.694 2.750 1.439 1.00 0.00 C ATOM 733 C PRO A 49 -12.821 4.252 1.702 1.00 0.00 C ATOM 734 O PRO A 49 -13.606 4.674 2.549 1.00 0.00 O ATOM 735 CB PRO A 49 -13.932 2.154 0.790 1.00 0.00 C ATOM 736 CG PRO A 49 -14.680 1.435 1.901 1.00 0.00 C ATOM 737 CD PRO A 49 -13.739 1.305 3.088 1.00 0.00 C ATOM 0 HA PRO A 49 -11.831 2.657 0.779 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -14.551 2.932 0.342 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -13.660 1.463 -0.008 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -15.574 1.992 2.182 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -15.009 0.452 1.565 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -14.173 1.742 3.987 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -13.526 0.260 3.312 1.00 0.00 H new ATOM 745 N GLY A 50 -12.037 5.019 0.958 1.00 0.00 N ATOM 746 CA GLY A 50 -12.052 6.465 1.100 1.00 0.00 C ATOM 747 C GLY A 50 -10.867 6.946 1.940 1.00 0.00 C ATOM 748 O GLY A 50 -10.775 8.127 2.270 1.00 0.00 O ATOM 0 H GLY A 50 -11.387 4.666 0.255 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -12.017 6.931 0.115 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -12.985 6.778 1.568 1.00 0.00 H new ATOM 752 N GLU A 51 -9.991 6.006 2.262 1.00 0.00 N ATOM 753 CA GLU A 51 -8.816 6.319 3.058 1.00 0.00 C ATOM 754 C GLU A 51 -7.587 6.461 2.157 1.00 0.00 C ATOM 755 O GLU A 51 -7.651 6.169 0.964 1.00 0.00 O ATOM 756 CB GLU A 51 -8.586 5.259 4.136 1.00 0.00 C ATOM 757 CG GLU A 51 -7.727 5.813 5.275 1.00 0.00 C ATOM 758 CD GLU A 51 -8.131 5.197 6.616 1.00 0.00 C ATOM 759 OE1 GLU A 51 -7.978 3.963 6.743 1.00 0.00 O ATOM 760 OE2 GLU A 51 -8.584 5.974 7.484 1.00 0.00 O ATOM 0 H GLU A 51 -10.071 5.027 1.986 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.985 7.271 3.561 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -9.545 4.922 4.530 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.098 4.389 3.697 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.676 5.604 5.077 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.834 6.897 5.322 1.00 0.00 H new ATOM 767 N SER A 52 -6.497 6.908 2.763 1.00 0.00 N ATOM 768 CA SER A 52 -5.256 7.092 2.031 1.00 0.00 C ATOM 769 C SER A 52 -4.141 6.266 2.676 1.00 0.00 C ATOM 770 O SER A 52 -3.923 6.347 3.883 1.00 0.00 O ATOM 771 CB SER A 52 -4.860 8.569 1.979 1.00 0.00 C ATOM 772 OG SER A 52 -3.447 8.745 2.015 1.00 0.00 O ATOM 0 H SER A 52 -6.448 7.148 3.753 1.00 0.00 H new ATOM 0 HA SER A 52 -5.409 6.749 1.008 1.00 0.00 H new ATOM 0 HB2 SER A 52 -5.258 9.019 1.070 1.00 0.00 H new ATOM 0 HB3 SER A 52 -5.312 9.095 2.820 1.00 0.00 H new ATOM 0 HG SER A 52 -3.235 9.701 1.978 1.00 0.00 H new ATOM 778 N LEU A 53 -3.464 5.491 1.841 1.00 0.00 N ATOM 779 CA LEU A 53 -2.377 4.651 2.315 1.00 0.00 C ATOM 780 C LEU A 53 -1.256 4.641 1.274 1.00 0.00 C ATOM 781 O LEU A 53 -1.501 4.867 0.090 1.00 0.00 O ATOM 782 CB LEU A 53 -2.895 3.257 2.675 1.00 0.00 C ATOM 783 CG LEU A 53 -1.933 2.096 2.412 1.00 0.00 C ATOM 784 CD1 LEU A 53 -1.651 1.946 0.915 1.00 0.00 C ATOM 785 CD2 LEU A 53 -0.647 2.254 3.225 1.00 0.00 C ATOM 0 H LEU A 53 -3.647 5.427 0.840 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.955 5.056 3.235 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.160 3.251 3.732 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.813 3.076 2.116 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.411 1.174 2.743 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.965 1.114 0.756 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.585 1.753 0.386 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.203 2.864 0.535 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.019 1.416 3.019 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.154 3.186 2.948 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.888 2.273 4.288 1.00 0.00 H new ATOM 797 N GLU A 54 -0.049 4.376 1.754 1.00 0.00 N ATOM 798 CA GLU A 54 1.111 4.333 0.880 1.00 0.00 C ATOM 799 C GLU A 54 1.103 3.048 0.050 1.00 0.00 C ATOM 800 O GLU A 54 0.898 1.960 0.587 1.00 0.00 O ATOM 801 CB GLU A 54 2.407 4.461 1.683 1.00 0.00 C ATOM 802 CG GLU A 54 2.991 5.870 1.562 1.00 0.00 C ATOM 803 CD GLU A 54 4.459 5.894 1.991 1.00 0.00 C ATOM 804 OE1 GLU A 54 4.766 5.224 3.001 1.00 0.00 O ATOM 805 OE2 GLU A 54 5.241 6.581 1.300 1.00 0.00 O ATOM 0 H GLU A 54 0.150 4.189 2.737 1.00 0.00 H new ATOM 0 HA GLU A 54 1.060 5.182 0.198 1.00 0.00 H new ATOM 0 HB2 GLU A 54 2.213 4.233 2.731 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.133 3.731 1.326 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.904 6.216 0.532 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.417 6.560 2.180 1.00 0.00 H new ATOM 812 N VAL A 55 1.330 3.215 -1.244 1.00 0.00 N ATOM 813 CA VAL A 55 1.352 2.082 -2.153 1.00 0.00 C ATOM 814 C VAL A 55 2.803 1.710 -2.462 1.00 0.00 C ATOM 815 O VAL A 55 3.625 2.581 -2.744 1.00 0.00 O ATOM 816 CB VAL A 55 0.536 2.401 -3.408 1.00 0.00 C ATOM 817 CG1 VAL A 55 1.082 1.648 -4.622 1.00 0.00 C ATOM 818 CG2 VAL A 55 -0.946 2.092 -3.191 1.00 0.00 C ATOM 0 H VAL A 55 1.500 4.119 -1.685 1.00 0.00 H new ATOM 0 HA VAL A 55 0.885 1.213 -1.691 1.00 0.00 H new ATOM 0 HB VAL A 55 0.629 3.469 -3.607 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.485 1.892 -5.500 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.118 1.939 -4.795 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.033 0.575 -4.437 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.503 2.328 -4.098 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.066 1.035 -2.955 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.326 2.693 -2.365 1.00 0.00 H new ATOM 828 N ILE A 56 3.075 0.415 -2.399 1.00 0.00 N ATOM 829 CA ILE A 56 4.413 -0.083 -2.668 1.00 0.00 C ATOM 830 C ILE A 56 4.523 -0.464 -4.146 1.00 0.00 C ATOM 831 O ILE A 56 4.033 0.256 -5.014 1.00 0.00 O ATOM 832 CB ILE A 56 4.763 -1.225 -1.711 1.00 0.00 C ATOM 833 CG1 ILE A 56 4.387 -0.868 -0.272 1.00 0.00 C ATOM 834 CG2 ILE A 56 6.237 -1.615 -1.839 1.00 0.00 C ATOM 835 CD1 ILE A 56 5.119 -1.769 0.725 1.00 0.00 C ATOM 0 H ILE A 56 2.391 -0.305 -2.165 1.00 0.00 H new ATOM 0 HA ILE A 56 5.153 0.695 -2.483 1.00 0.00 H new ATOM 0 HB ILE A 56 4.174 -2.098 -1.990 1.00 0.00 H new ATOM 0 HG12 ILE A 56 4.635 0.175 -0.075 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.310 -0.970 -0.138 1.00 0.00 H new ATOM 0 HG21 ILE A 56 6.459 -2.428 -1.148 1.00 0.00 H new ATOM 0 HG22 ILE A 56 6.440 -1.940 -2.859 1.00 0.00 H new ATOM 0 HG23 ILE A 56 6.863 -0.755 -1.600 1.00 0.00 H new ATOM 0 HD11 ILE A 56 4.834 -1.494 1.741 1.00 0.00 H new ATOM 0 HD12 ILE A 56 4.850 -2.809 0.541 1.00 0.00 H new ATOM 0 HD13 ILE A 56 6.195 -1.646 0.604 1.00 0.00 H new ATOM 847 N GLN A 57 5.169 -1.596 -4.386 1.00 0.00 N ATOM 848 CA GLN A 57 5.349 -2.081 -5.744 1.00 0.00 C ATOM 849 C GLN A 57 4.250 -3.085 -6.099 1.00 0.00 C ATOM 850 O GLN A 57 3.647 -3.690 -5.213 1.00 0.00 O ATOM 851 CB GLN A 57 6.736 -2.700 -5.925 1.00 0.00 C ATOM 852 CG GLN A 57 7.804 -1.616 -6.083 1.00 0.00 C ATOM 853 CD GLN A 57 7.511 -0.730 -7.296 1.00 0.00 C ATOM 854 OE1 GLN A 57 7.233 0.452 -7.181 1.00 0.00 O ATOM 855 NE2 GLN A 57 7.587 -1.366 -8.462 1.00 0.00 N ATOM 0 H GLN A 57 5.574 -2.191 -3.663 1.00 0.00 H new ATOM 0 HA GLN A 57 5.274 -1.233 -6.425 1.00 0.00 H new ATOM 0 HB2 GLN A 57 6.973 -3.327 -5.065 1.00 0.00 H new ATOM 0 HB3 GLN A 57 6.738 -3.348 -6.802 1.00 0.00 H new ATOM 0 HG2 GLN A 57 7.842 -1.004 -5.182 1.00 0.00 H new ATOM 0 HG3 GLN A 57 8.784 -2.080 -6.195 1.00 0.00 H new ATOM 0 HE21 GLN A 57 7.825 -2.358 -8.488 1.00 0.00 H new ATOM 0 HE22 GLN A 57 7.407 -0.862 -9.330 1.00 0.00 H new ATOM 864 N THR A 58 4.023 -3.231 -7.396 1.00 0.00 N ATOM 865 CA THR A 58 3.007 -4.151 -7.879 1.00 0.00 C ATOM 866 C THR A 58 3.409 -5.596 -7.576 1.00 0.00 C ATOM 867 O THR A 58 4.445 -6.067 -8.042 1.00 0.00 O ATOM 868 CB THR A 58 2.794 -3.880 -9.369 1.00 0.00 C ATOM 869 OG1 THR A 58 4.105 -3.633 -9.868 1.00 0.00 O ATOM 870 CG2 THR A 58 2.045 -2.570 -9.624 1.00 0.00 C ATOM 0 H THR A 58 4.525 -2.728 -8.127 1.00 0.00 H new ATOM 0 HA THR A 58 2.057 -3.996 -7.367 1.00 0.00 H new ATOM 0 HB THR A 58 2.240 -4.707 -9.813 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.714 -4.330 -9.546 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.920 -2.425 -10.697 1.00 0.00 H new ATOM 0 HG22 THR A 58 1.066 -2.612 -9.147 1.00 0.00 H new ATOM 0 HG23 THR A 58 2.615 -1.738 -9.210 1.00 0.00 H new ATOM 878 N THR A 59 2.568 -6.259 -6.795 1.00 0.00 N ATOM 879 CA THR A 59 2.822 -7.641 -6.424 1.00 0.00 C ATOM 880 C THR A 59 3.044 -8.496 -7.673 1.00 0.00 C ATOM 881 O THR A 59 4.171 -8.888 -7.970 1.00 0.00 O ATOM 882 CB THR A 59 1.656 -8.120 -5.558 1.00 0.00 C ATOM 883 OG1 THR A 59 2.100 -7.897 -4.223 1.00 0.00 O ATOM 884 CG2 THR A 59 1.453 -9.635 -5.635 1.00 0.00 C ATOM 0 H THR A 59 1.710 -5.865 -6.409 1.00 0.00 H new ATOM 0 HA THR A 59 3.738 -7.732 -5.840 1.00 0.00 H new ATOM 0 HB THR A 59 0.742 -7.615 -5.869 1.00 0.00 H new ATOM 0 HG1 THR A 59 1.499 -8.353 -3.598 1.00 0.00 H new ATOM 0 HG21 THR A 59 0.613 -9.922 -5.002 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.245 -9.922 -6.666 1.00 0.00 H new ATOM 0 HG23 THR A 59 2.355 -10.141 -5.292 1.00 0.00 H new ATOM 892 N ASP A 60 1.949 -8.761 -8.372 1.00 0.00 N ATOM 893 CA ASP A 60 2.009 -9.563 -9.582 1.00 0.00 C ATOM 894 C ASP A 60 1.878 -8.648 -10.802 1.00 0.00 C ATOM 895 O ASP A 60 2.875 -8.139 -11.310 1.00 0.00 O ATOM 896 CB ASP A 60 0.866 -10.578 -9.627 1.00 0.00 C ATOM 897 CG ASP A 60 0.573 -11.161 -11.011 1.00 0.00 C ATOM 898 OD1 ASP A 60 1.552 -11.563 -11.677 1.00 0.00 O ATOM 899 OD2 ASP A 60 -0.623 -11.191 -11.373 1.00 0.00 O ATOM 0 H ASP A 60 1.015 -8.434 -8.123 1.00 0.00 H new ATOM 0 HA ASP A 60 2.962 -10.093 -9.589 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.100 -11.397 -8.947 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.039 -10.100 -9.251 1.00 0.00 H new ATOM 904 N ASP A 61 0.639 -8.468 -11.235 1.00 0.00 N ATOM 905 CA ASP A 61 0.364 -7.624 -12.386 1.00 0.00 C ATOM 906 C ASP A 61 -0.504 -6.442 -11.950 1.00 0.00 C ATOM 907 O ASP A 61 -0.119 -5.287 -12.123 1.00 0.00 O ATOM 908 CB ASP A 61 -0.395 -8.396 -13.466 1.00 0.00 C ATOM 909 CG ASP A 61 0.086 -9.830 -13.695 1.00 0.00 C ATOM 910 OD1 ASP A 61 1.317 -10.033 -13.632 1.00 0.00 O ATOM 911 OD2 ASP A 61 -0.790 -10.691 -13.928 1.00 0.00 O ATOM 0 H ASP A 61 -0.186 -8.892 -10.810 1.00 0.00 H new ATOM 0 HA ASP A 61 1.317 -7.283 -12.790 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.451 -8.422 -13.198 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.317 -7.848 -14.405 1.00 0.00 H new ATOM 916 N THR A 62 -1.660 -6.772 -11.392 1.00 0.00 N ATOM 917 CA THR A 62 -2.587 -5.753 -10.931 1.00 0.00 C ATOM 918 C THR A 62 -2.824 -5.890 -9.425 1.00 0.00 C ATOM 919 O THR A 62 -3.913 -6.268 -8.997 1.00 0.00 O ATOM 920 CB THR A 62 -3.867 -5.866 -11.760 1.00 0.00 C ATOM 921 OG1 THR A 62 -3.434 -6.445 -12.989 1.00 0.00 O ATOM 922 CG2 THR A 62 -4.424 -4.501 -12.167 1.00 0.00 C ATOM 0 H THR A 62 -1.975 -7.731 -11.249 1.00 0.00 H new ATOM 0 HA THR A 62 -2.178 -4.753 -11.075 1.00 0.00 H new ATOM 0 HB THR A 62 -4.621 -6.410 -11.191 1.00 0.00 H new ATOM 0 HG1 THR A 62 -4.202 -6.556 -13.587 1.00 0.00 H new ATOM 0 HG21 THR A 62 -5.332 -4.639 -12.753 1.00 0.00 H new ATOM 0 HG22 THR A 62 -4.654 -3.921 -11.273 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.684 -3.969 -12.765 1.00 0.00 H new ATOM 930 N LYS A 63 -1.786 -5.576 -8.664 1.00 0.00 N ATOM 931 CA LYS A 63 -1.867 -5.660 -7.216 1.00 0.00 C ATOM 932 C LYS A 63 -0.853 -4.697 -6.596 1.00 0.00 C ATOM 933 O LYS A 63 0.317 -4.694 -6.974 1.00 0.00 O ATOM 934 CB LYS A 63 -1.703 -7.109 -6.753 1.00 0.00 C ATOM 935 CG LYS A 63 -1.867 -7.222 -5.236 1.00 0.00 C ATOM 936 CD LYS A 63 -2.796 -8.380 -4.869 1.00 0.00 C ATOM 937 CE LYS A 63 -1.995 -9.615 -4.453 1.00 0.00 C ATOM 938 NZ LYS A 63 -2.834 -10.530 -3.647 1.00 0.00 N ATOM 0 H LYS A 63 -0.884 -5.263 -9.023 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.853 -5.350 -6.871 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.441 -7.739 -7.250 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.720 -7.479 -7.045 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.892 -7.372 -4.772 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.269 -6.289 -4.840 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.455 -8.078 -4.055 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.432 -8.624 -5.720 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.629 -10.134 -5.339 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.121 -9.312 -3.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.275 -11.363 -3.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.163 -10.037 -2.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.655 -10.834 -4.209 1.00 0.00 H new ATOM 952 N VAL A 64 -1.339 -3.903 -5.653 1.00 0.00 N ATOM 953 CA VAL A 64 -0.489 -2.937 -4.977 1.00 0.00 C ATOM 954 C VAL A 64 -0.411 -3.286 -3.489 1.00 0.00 C ATOM 955 O VAL A 64 -1.434 -3.536 -2.852 1.00 0.00 O ATOM 956 CB VAL A 64 -1.002 -1.519 -5.232 1.00 0.00 C ATOM 957 CG1 VAL A 64 -1.021 -1.204 -6.729 1.00 0.00 C ATOM 958 CG2 VAL A 64 -2.386 -1.317 -4.612 1.00 0.00 C ATOM 0 H VAL A 64 -2.310 -3.909 -5.341 1.00 0.00 H new ATOM 0 HA VAL A 64 0.525 -2.977 -5.374 1.00 0.00 H new ATOM 0 HB VAL A 64 -0.315 -0.823 -4.752 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.390 -0.190 -6.883 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.011 -1.288 -7.131 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -1.675 -1.910 -7.241 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.728 -0.301 -4.808 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -3.088 -2.026 -5.050 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -2.330 -1.480 -3.536 1.00 0.00 H new ATOM 968 N LEU A 65 0.811 -3.293 -2.978 1.00 0.00 N ATOM 969 CA LEU A 65 1.035 -3.608 -1.577 1.00 0.00 C ATOM 970 C LEU A 65 0.924 -2.327 -0.748 1.00 0.00 C ATOM 971 O LEU A 65 1.571 -1.327 -1.054 1.00 0.00 O ATOM 972 CB LEU A 65 2.365 -4.342 -1.399 1.00 0.00 C ATOM 973 CG LEU A 65 2.957 -4.327 0.012 1.00 0.00 C ATOM 974 CD1 LEU A 65 2.029 -5.032 1.003 1.00 0.00 C ATOM 975 CD2 LEU A 65 4.366 -4.922 0.022 1.00 0.00 C ATOM 0 H LEU A 65 1.657 -3.086 -3.509 1.00 0.00 H new ATOM 0 HA LEU A 65 0.269 -4.292 -1.213 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.228 -5.380 -1.703 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.093 -3.904 -2.082 1.00 0.00 H new ATOM 0 HG LEU A 65 3.044 -3.290 0.335 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.473 -5.007 1.998 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.065 -4.524 1.023 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.887 -6.068 0.695 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.763 -4.899 1.037 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.328 -5.953 -0.330 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.012 -4.338 -0.634 1.00 0.00 H new ATOM 987 N CYS A 66 0.099 -2.400 0.286 1.00 0.00 N ATOM 988 CA CYS A 66 -0.105 -1.259 1.163 1.00 0.00 C ATOM 989 C CYS A 66 0.908 -1.344 2.306 1.00 0.00 C ATOM 990 O CYS A 66 1.322 -2.435 2.694 1.00 0.00 O ATOM 991 CB CYS A 66 -1.544 -1.192 1.679 1.00 0.00 C ATOM 992 SG CYS A 66 -1.552 -0.759 3.457 1.00 0.00 S ATOM 0 H CYS A 66 -0.436 -3.231 0.536 1.00 0.00 H new ATOM 0 HA CYS A 66 0.055 -0.336 0.606 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -2.108 -0.450 1.113 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -2.038 -2.152 1.528 1.00 0.00 H new ATOM 0 HG CYS A 66 -0.831 -1.617 4.116 1.00 0.00 H new ATOM 998 N ARG A 67 1.278 -0.177 2.814 1.00 0.00 N ATOM 999 CA ARG A 67 2.235 -0.106 3.905 1.00 0.00 C ATOM 1000 C ARG A 67 1.807 0.959 4.917 1.00 0.00 C ATOM 1001 O ARG A 67 1.469 2.079 4.539 1.00 0.00 O ATOM 1002 CB ARG A 67 3.636 0.225 3.388 1.00 0.00 C ATOM 1003 CG ARG A 67 4.709 -0.478 4.222 1.00 0.00 C ATOM 1004 CD ARG A 67 6.110 -0.027 3.805 1.00 0.00 C ATOM 1005 NE ARG A 67 6.977 0.099 4.998 1.00 0.00 N ATOM 1006 CZ ARG A 67 8.179 0.712 4.999 1.00 0.00 C ATOM 1007 NH1 ARG A 67 8.669 1.262 3.867 1.00 0.00 N ATOM 1008 NH2 ARG A 67 8.870 0.766 6.123 1.00 0.00 N ATOM 0 H ARG A 67 0.932 0.726 2.490 1.00 0.00 H new ATOM 0 HA ARG A 67 2.260 -1.083 4.388 1.00 0.00 H new ATOM 0 HB2 ARG A 67 3.724 -0.079 2.345 1.00 0.00 H new ATOM 0 HB3 ARG A 67 3.794 1.303 3.420 1.00 0.00 H new ATOM 0 HG2 ARG A 67 4.553 -0.262 5.279 1.00 0.00 H new ATOM 0 HG3 ARG A 67 4.619 -1.558 4.101 1.00 0.00 H new ATOM 0 HD2 ARG A 67 6.540 -0.746 3.107 1.00 0.00 H new ATOM 0 HD3 ARG A 67 6.053 0.929 3.284 1.00 0.00 H new ATOM 0 HE ARG A 67 6.645 -0.303 5.875 1.00 0.00 H new ATOM 0 HH11 ARG A 67 8.129 1.216 3.003 1.00 0.00 H new ATOM 0 HH12 ARG A 67 9.579 1.724 3.877 1.00 0.00 H new ATOM 0 HH21 ARG A 67 8.493 0.348 6.974 1.00 0.00 H new ATOM 0 HH22 ARG A 67 9.780 1.226 6.140 1.00 0.00 H new ATOM 1022 N ASN A 68 1.836 0.571 6.184 1.00 0.00 N ATOM 1023 CA ASN A 68 1.455 1.478 7.253 1.00 0.00 C ATOM 1024 C ASN A 68 2.628 1.638 8.222 1.00 0.00 C ATOM 1025 O ASN A 68 3.303 0.664 8.552 1.00 0.00 O ATOM 1026 CB ASN A 68 0.263 0.932 8.041 1.00 0.00 C ATOM 1027 CG ASN A 68 0.268 -0.598 8.053 1.00 0.00 C ATOM 1028 OD1 ASN A 68 -0.230 -1.253 7.152 1.00 0.00 O ATOM 1029 ND2 ASN A 68 0.856 -1.128 9.121 1.00 0.00 N ATOM 0 H ASN A 68 2.117 -0.359 6.494 1.00 0.00 H new ATOM 0 HA ASN A 68 1.183 2.433 6.803 1.00 0.00 H new ATOM 0 HB2 ASN A 68 0.296 1.307 9.064 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -0.666 1.293 7.599 1.00 0.00 H new ATOM 0 HD21 ASN A 68 0.910 -2.141 9.223 1.00 0.00 H new ATOM 0 HD22 ASN A 68 1.253 -0.521 9.838 1.00 0.00 H new ATOM 1036 N GLU A 69 2.836 2.875 8.651 1.00 0.00 N ATOM 1037 CA GLU A 69 3.916 3.174 9.575 1.00 0.00 C ATOM 1038 C GLU A 69 3.806 2.297 10.823 1.00 0.00 C ATOM 1039 O GLU A 69 4.732 2.239 11.630 1.00 0.00 O ATOM 1040 CB GLU A 69 3.923 4.658 9.947 1.00 0.00 C ATOM 1041 CG GLU A 69 5.308 5.272 9.730 1.00 0.00 C ATOM 1042 CD GLU A 69 5.367 6.699 10.278 1.00 0.00 C ATOM 1043 OE1 GLU A 69 5.033 7.620 9.501 1.00 0.00 O ATOM 1044 OE2 GLU A 69 5.746 6.837 11.461 1.00 0.00 O ATOM 0 H GLU A 69 2.275 3.681 8.375 1.00 0.00 H new ATOM 0 HA GLU A 69 4.862 2.952 9.081 1.00 0.00 H new ATOM 0 HB2 GLU A 69 3.187 5.191 9.345 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.628 4.776 10.990 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.063 4.658 10.222 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.545 5.277 8.666 1.00 0.00 H new ATOM 1051 N GLU A 70 2.664 1.635 10.943 1.00 0.00 N ATOM 1052 CA GLU A 70 2.420 0.762 12.079 1.00 0.00 C ATOM 1053 C GLU A 70 3.471 -0.349 12.130 1.00 0.00 C ATOM 1054 O GLU A 70 3.544 -1.094 13.106 1.00 0.00 O ATOM 1055 CB GLU A 70 1.007 0.179 12.029 1.00 0.00 C ATOM 1056 CG GLU A 70 0.326 0.274 13.396 1.00 0.00 C ATOM 1057 CD GLU A 70 -1.180 0.499 13.243 1.00 0.00 C ATOM 1058 OE1 GLU A 70 -1.544 1.581 12.734 1.00 0.00 O ATOM 1059 OE2 GLU A 70 -1.934 -0.417 13.639 1.00 0.00 O ATOM 0 H GLU A 70 1.897 1.686 10.272 1.00 0.00 H new ATOM 0 HA GLU A 70 2.501 1.353 12.991 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.415 0.714 11.286 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.051 -0.863 11.712 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.505 -0.641 13.960 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.763 1.092 13.968 1.00 0.00 H new ATOM 1066 N GLY A 71 4.259 -0.424 11.068 1.00 0.00 N ATOM 1067 CA GLY A 71 5.302 -1.432 10.979 1.00 0.00 C ATOM 1068 C GLY A 71 4.757 -2.735 10.392 1.00 0.00 C ATOM 1069 O GLY A 71 5.431 -3.763 10.421 1.00 0.00 O ATOM 0 H GLY A 71 4.196 0.197 10.261 1.00 0.00 H new ATOM 0 HA2 GLY A 71 6.118 -1.062 10.358 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.716 -1.620 11.970 1.00 0.00 H new ATOM 1073 N LYS A 72 3.541 -2.650 9.872 1.00 0.00 N ATOM 1074 CA LYS A 72 2.898 -3.810 9.278 1.00 0.00 C ATOM 1075 C LYS A 72 2.482 -3.479 7.844 1.00 0.00 C ATOM 1076 O LYS A 72 2.215 -2.322 7.522 1.00 0.00 O ATOM 1077 CB LYS A 72 1.742 -4.290 10.159 1.00 0.00 C ATOM 1078 CG LYS A 72 0.831 -5.251 9.391 1.00 0.00 C ATOM 1079 CD LYS A 72 -0.292 -4.492 8.682 1.00 0.00 C ATOM 1080 CE LYS A 72 -1.340 -4.002 9.684 1.00 0.00 C ATOM 1081 NZ LYS A 72 -2.212 -2.979 9.064 1.00 0.00 N ATOM 0 H LYS A 72 2.984 -1.796 9.850 1.00 0.00 H new ATOM 0 HA LYS A 72 3.595 -4.646 9.222 1.00 0.00 H new ATOM 0 HB2 LYS A 72 2.137 -4.787 11.045 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.164 -3.433 10.505 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.417 -5.807 8.660 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.404 -5.981 10.079 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.124 -3.642 8.140 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.764 -5.140 7.944 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.943 -4.842 10.028 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.846 -3.584 10.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.488 -2.278 9.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.697 -2.504 8.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.064 -3.436 8.680 1.00 0.00 H new ATOM 1095 N TYR A 73 2.439 -4.515 7.020 1.00 0.00 N ATOM 1096 CA TYR A 73 2.060 -4.349 5.627 1.00 0.00 C ATOM 1097 C TYR A 73 0.741 -5.064 5.329 1.00 0.00 C ATOM 1098 O TYR A 73 0.237 -5.816 6.161 1.00 0.00 O ATOM 1099 CB TYR A 73 3.176 -4.998 4.806 1.00 0.00 C ATOM 1100 CG TYR A 73 4.491 -4.216 4.814 1.00 0.00 C ATOM 1101 CD1 TYR A 73 5.150 -3.987 6.004 1.00 0.00 C ATOM 1102 CD2 TYR A 73 5.017 -3.739 3.630 1.00 0.00 C ATOM 1103 CE1 TYR A 73 6.387 -3.250 6.012 1.00 0.00 C ATOM 1104 CE2 TYR A 73 6.255 -3.003 3.638 1.00 0.00 C ATOM 1105 CZ TYR A 73 6.879 -2.795 4.828 1.00 0.00 C ATOM 1106 OH TYR A 73 8.047 -2.099 4.835 1.00 0.00 O ATOM 0 H TYR A 73 2.660 -5.473 7.290 1.00 0.00 H new ATOM 0 HA TYR A 73 1.926 -3.294 5.389 1.00 0.00 H new ATOM 0 HB2 TYR A 73 3.360 -6.001 5.191 1.00 0.00 H new ATOM 0 HB3 TYR A 73 2.838 -5.109 3.776 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.738 -4.361 6.930 1.00 0.00 H new ATOM 0 HD2 TYR A 73 4.501 -3.918 2.698 1.00 0.00 H new ATOM 0 HE1 TYR A 73 6.912 -3.063 6.937 1.00 0.00 H new ATOM 0 HE2 TYR A 73 6.678 -2.625 2.719 1.00 0.00 H new ATOM 0 HH TYR A 73 8.800 -2.724 4.891 1.00 0.00 H new ATOM 1116 N GLY A 74 0.220 -4.805 4.138 1.00 0.00 N ATOM 1117 CA GLY A 74 -1.030 -5.415 3.720 1.00 0.00 C ATOM 1118 C GLY A 74 -1.147 -5.436 2.194 1.00 0.00 C ATOM 1119 O GLY A 74 -0.493 -4.652 1.507 1.00 0.00 O ATOM 0 H GLY A 74 0.641 -4.181 3.450 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -1.090 -6.432 4.107 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.868 -4.863 4.145 1.00 0.00 H new ATOM 1123 N TYR A 75 -1.984 -6.341 1.709 1.00 0.00 N ATOM 1124 CA TYR A 75 -2.194 -6.474 0.277 1.00 0.00 C ATOM 1125 C TYR A 75 -3.552 -5.902 -0.133 1.00 0.00 C ATOM 1126 O TYR A 75 -4.490 -5.886 0.664 1.00 0.00 O ATOM 1127 CB TYR A 75 -2.178 -7.976 -0.013 1.00 0.00 C ATOM 1128 CG TYR A 75 -0.794 -8.529 -0.360 1.00 0.00 C ATOM 1129 CD1 TYR A 75 0.050 -7.808 -1.180 1.00 0.00 C ATOM 1130 CD2 TYR A 75 -0.390 -9.747 0.146 1.00 0.00 C ATOM 1131 CE1 TYR A 75 1.353 -8.328 -1.507 1.00 0.00 C ATOM 1132 CE2 TYR A 75 0.912 -10.267 -0.181 1.00 0.00 C ATOM 1133 CZ TYR A 75 1.719 -9.531 -0.992 1.00 0.00 C ATOM 1134 OH TYR A 75 2.950 -10.022 -1.300 1.00 0.00 O ATOM 0 H TYR A 75 -2.525 -6.989 2.282 1.00 0.00 H new ATOM 0 HA TYR A 75 -1.426 -5.933 -0.276 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -2.562 -8.508 0.857 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -2.858 -8.183 -0.839 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -0.266 -6.854 -1.576 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -1.051 -10.311 0.788 1.00 0.00 H new ATOM 0 HE1 TYR A 75 2.024 -7.774 -2.147 1.00 0.00 H new ATOM 0 HE2 TYR A 75 1.240 -11.219 0.208 1.00 0.00 H new ATOM 0 HH TYR A 75 3.564 -9.856 -0.555 1.00 0.00 H new ATOM 1144 N VAL A 76 -3.615 -5.446 -1.375 1.00 0.00 N ATOM 1145 CA VAL A 76 -4.843 -4.874 -1.901 1.00 0.00 C ATOM 1146 C VAL A 76 -5.007 -5.287 -3.365 1.00 0.00 C ATOM 1147 O VAL A 76 -4.111 -5.070 -4.179 1.00 0.00 O ATOM 1148 CB VAL A 76 -4.840 -3.357 -1.705 1.00 0.00 C ATOM 1149 CG1 VAL A 76 -6.261 -2.793 -1.763 1.00 0.00 C ATOM 1150 CG2 VAL A 76 -4.152 -2.975 -0.393 1.00 0.00 C ATOM 0 H VAL A 76 -2.836 -5.461 -2.033 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.706 -5.257 -1.356 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.271 -2.915 -2.523 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.230 -1.713 -1.621 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.703 -3.019 -2.734 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.864 -3.245 -0.976 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.164 -1.891 -0.278 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -4.681 -3.434 0.442 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.121 -3.327 -0.407 1.00 0.00 H new ATOM 1160 N LEU A 77 -6.159 -5.875 -3.655 1.00 0.00 N ATOM 1161 CA LEU A 77 -6.451 -6.320 -5.007 1.00 0.00 C ATOM 1162 C LEU A 77 -6.913 -5.126 -5.844 1.00 0.00 C ATOM 1163 O LEU A 77 -7.626 -4.255 -5.349 1.00 0.00 O ATOM 1164 CB LEU A 77 -7.450 -7.479 -4.985 1.00 0.00 C ATOM 1165 CG LEU A 77 -7.200 -8.600 -5.995 1.00 0.00 C ATOM 1166 CD1 LEU A 77 -8.467 -9.427 -6.223 1.00 0.00 C ATOM 1167 CD2 LEU A 77 -6.636 -8.044 -7.304 1.00 0.00 C ATOM 0 H LEU A 77 -6.900 -6.053 -2.977 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.552 -6.713 -5.481 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.452 -7.912 -3.985 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -8.448 -7.076 -5.159 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.448 -9.271 -5.579 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -8.261 -10.217 -6.945 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.786 -9.872 -5.280 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -9.258 -8.782 -6.606 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.468 -8.862 -8.004 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.346 -7.338 -7.735 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.692 -7.535 -7.107 1.00 0.00 H new ATOM 1179 N ARG A 78 -6.488 -5.124 -7.099 1.00 0.00 N ATOM 1180 CA ARG A 78 -6.849 -4.050 -8.010 1.00 0.00 C ATOM 1181 C ARG A 78 -8.371 -3.945 -8.129 1.00 0.00 C ATOM 1182 O ARG A 78 -8.896 -2.903 -8.518 1.00 0.00 O ATOM 1183 CB ARG A 78 -6.250 -4.281 -9.398 1.00 0.00 C ATOM 1184 CG ARG A 78 -6.969 -5.421 -10.123 1.00 0.00 C ATOM 1185 CD ARG A 78 -7.483 -4.964 -11.489 1.00 0.00 C ATOM 1186 NE ARG A 78 -8.832 -4.371 -11.349 1.00 0.00 N ATOM 1187 CZ ARG A 78 -9.075 -3.043 -11.315 1.00 0.00 C ATOM 1188 NH1 ARG A 78 -8.061 -2.158 -11.410 1.00 0.00 N ATOM 1189 NH2 ARG A 78 -10.320 -2.624 -11.187 1.00 0.00 N ATOM 0 H ARG A 78 -5.897 -5.849 -7.507 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.448 -3.121 -7.604 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.324 -3.367 -9.987 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.190 -4.515 -9.306 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -6.288 -6.263 -10.250 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -7.803 -5.774 -9.516 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -6.798 -4.233 -11.919 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -7.518 -5.810 -12.175 1.00 0.00 H new ATOM 0 HE ARG A 78 -9.628 -5.005 -11.274 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -7.102 -2.490 -11.508 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -8.254 -1.157 -11.383 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.081 -3.300 -11.116 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -10.521 -1.624 -11.160 1.00 0.00 H new ATOM 1203 N SER A 79 -9.036 -5.039 -7.788 1.00 0.00 N ATOM 1204 CA SER A 79 -10.487 -5.083 -7.852 1.00 0.00 C ATOM 1205 C SER A 79 -11.079 -3.868 -7.136 1.00 0.00 C ATOM 1206 O SER A 79 -11.794 -3.072 -7.744 1.00 0.00 O ATOM 1207 CB SER A 79 -11.027 -6.376 -7.238 1.00 0.00 C ATOM 1208 OG SER A 79 -12.212 -6.823 -7.891 1.00 0.00 O ATOM 0 H SER A 79 -8.597 -5.902 -7.467 1.00 0.00 H new ATOM 0 HA SER A 79 -10.784 -5.059 -8.901 1.00 0.00 H new ATOM 0 HB2 SER A 79 -10.264 -7.152 -7.299 1.00 0.00 H new ATOM 0 HB3 SER A 79 -11.235 -6.216 -6.180 1.00 0.00 H new ATOM 0 HG SER A 79 -12.524 -7.652 -7.471 1.00 0.00 H new ATOM 1214 N TYR A 80 -10.760 -3.763 -5.854 1.00 0.00 N ATOM 1215 CA TYR A 80 -11.252 -2.658 -5.049 1.00 0.00 C ATOM 1216 C TYR A 80 -10.096 -1.801 -4.529 1.00 0.00 C ATOM 1217 O TYR A 80 -9.647 -1.979 -3.397 1.00 0.00 O ATOM 1218 CB TYR A 80 -11.976 -3.292 -3.860 1.00 0.00 C ATOM 1219 CG TYR A 80 -11.202 -4.433 -3.197 1.00 0.00 C ATOM 1220 CD1 TYR A 80 -10.202 -4.152 -2.288 1.00 0.00 C ATOM 1221 CD2 TYR A 80 -11.504 -5.744 -3.507 1.00 0.00 C ATOM 1222 CE1 TYR A 80 -9.473 -5.225 -1.664 1.00 0.00 C ATOM 1223 CE2 TYR A 80 -10.775 -6.817 -2.883 1.00 0.00 C ATOM 1224 CZ TYR A 80 -9.796 -6.505 -1.992 1.00 0.00 C ATOM 1225 OH TYR A 80 -9.107 -7.519 -1.402 1.00 0.00 O ATOM 0 H TYR A 80 -10.167 -4.425 -5.353 1.00 0.00 H new ATOM 0 HA TYR A 80 -11.903 -2.013 -5.639 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -12.175 -2.521 -3.116 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -12.942 -3.669 -4.195 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -9.966 -3.126 -2.045 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -12.287 -5.964 -4.217 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -8.688 -5.019 -0.952 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -11.000 -7.847 -3.117 1.00 0.00 H new ATOM 0 HH TYR A 80 -8.786 -7.228 -0.523 1.00 0.00 H new ATOM 1235 N LEU A 81 -9.647 -0.890 -5.380 1.00 0.00 N ATOM 1236 CA LEU A 81 -8.552 -0.006 -5.020 1.00 0.00 C ATOM 1237 C LEU A 81 -8.478 1.143 -6.028 1.00 0.00 C ATOM 1238 O LEU A 81 -9.210 1.154 -7.017 1.00 0.00 O ATOM 1239 CB LEU A 81 -7.247 -0.794 -4.889 1.00 0.00 C ATOM 1240 CG LEU A 81 -6.009 -0.152 -5.518 1.00 0.00 C ATOM 1241 CD1 LEU A 81 -5.332 0.809 -4.538 1.00 0.00 C ATOM 1242 CD2 LEU A 81 -5.042 -1.218 -6.037 1.00 0.00 C ATOM 0 H LEU A 81 -10.022 -0.745 -6.318 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.728 0.439 -4.041 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.049 -0.956 -3.830 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.392 -1.776 -5.340 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.329 0.437 -6.377 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.455 1.252 -5.010 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.031 1.597 -4.260 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.027 0.263 -3.645 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.171 -0.735 -6.479 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.724 -1.854 -5.211 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.541 -1.826 -6.791 1.00 0.00 H new ATOM 1254 N ALA A 82 -7.587 2.082 -5.743 1.00 0.00 N ATOM 1255 CA ALA A 82 -7.408 3.232 -6.612 1.00 0.00 C ATOM 1256 C ALA A 82 -6.612 2.812 -7.849 1.00 0.00 C ATOM 1257 O ALA A 82 -6.129 1.683 -7.928 1.00 0.00 O ATOM 1258 CB ALA A 82 -6.725 4.359 -5.834 1.00 0.00 C ATOM 0 H ALA A 82 -6.982 2.069 -4.922 1.00 0.00 H new ATOM 0 HA ALA A 82 -8.372 3.609 -6.953 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -6.591 5.222 -6.486 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -7.344 4.641 -4.982 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.753 4.018 -5.478 1.00 0.00 H new ATOM 1264 N ASP A 83 -6.500 3.743 -8.786 1.00 0.00 N ATOM 1265 CA ASP A 83 -5.771 3.483 -10.015 1.00 0.00 C ATOM 1266 C ASP A 83 -4.335 3.078 -9.676 1.00 0.00 C ATOM 1267 O ASP A 83 -3.910 3.188 -8.527 1.00 0.00 O ATOM 1268 CB ASP A 83 -5.714 4.733 -10.896 1.00 0.00 C ATOM 1269 CG ASP A 83 -6.726 4.762 -12.043 1.00 0.00 C ATOM 1270 OD1 ASP A 83 -7.892 4.397 -11.780 1.00 0.00 O ATOM 1271 OD2 ASP A 83 -6.311 5.150 -13.157 1.00 0.00 O ATOM 0 H ASP A 83 -6.902 4.678 -8.718 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.287 2.687 -10.551 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -5.874 5.609 -10.268 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -4.711 4.819 -11.314 1.00 0.00 H new