USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 712 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 70 GLN : amide:sc= -0.79 K(o=-0.95,f=0.15) USER MOD Set 1.2: A 77 TYR OH : rot 180:sc= -0.161 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 163:sc= -4.21! USER MOD Single : A 16 THR OG1 : rot -147:sc= 0.236 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -130:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 28 GLN : amide:sc= -4.88! C(o=-4.9!,f=-16!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -94:sc= -1.66! USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot -79:sc= 0.859 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.154 K(o=-0.15,f=-2.9!) USER MOD Single : A 57 MET CE :methyl 148:sc= -0.52 (180deg=-2!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.585 K(o=-0.58,f=-1.8) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -4.34! C(o=-4.3!,f=-4.1!) USER MOD Single : A 75 ASN : amide:sc= -0.0855 K(o=-0.086,f=-0.89) USER MOD Single : A 76 HIS : no HD1:sc= -0.0582 X(o=-0.058,f=-0.11) USER MOD Single : A 78 CYS SG : rot -130:sc= -4.43! USER MOD Single : A 81 TYR OH : rot -147:sc= 0.919 USER MOD Single : A 90 GLN : amide:sc= -0.261 X(o=-0.26,f=-0.58) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.0294 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 103 N GLY A 10 9.784 -7.576 -4.216 1.00 0.00 N ATOM 104 CA GLY A 10 8.840 -7.877 -3.153 1.00 0.00 C ATOM 105 C GLY A 10 8.128 -6.609 -2.676 1.00 0.00 C ATOM 106 O GLY A 10 8.483 -6.045 -1.643 1.00 0.00 O ATOM 0 HA2 GLY A 10 8.105 -8.599 -3.508 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.364 -8.340 -2.317 1.00 0.00 H new ATOM 110 N LEU A 11 7.137 -6.198 -3.453 1.00 0.00 N ATOM 111 CA LEU A 11 6.372 -5.008 -3.124 1.00 0.00 C ATOM 112 C LEU A 11 5.434 -5.317 -1.955 1.00 0.00 C ATOM 113 O LEU A 11 4.890 -6.417 -1.866 1.00 0.00 O ATOM 114 CB LEU A 11 5.654 -4.472 -4.364 1.00 0.00 C ATOM 115 CG LEU A 11 5.509 -2.951 -4.450 1.00 0.00 C ATOM 116 CD1 LEU A 11 6.609 -2.343 -5.323 1.00 0.00 C ATOM 117 CD2 LEU A 11 4.111 -2.560 -4.934 1.00 0.00 C ATOM 0 H LEU A 11 6.846 -6.668 -4.310 1.00 0.00 H new ATOM 0 HA LEU A 11 7.035 -4.207 -2.798 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.191 -4.816 -5.248 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.659 -4.915 -4.403 1.00 0.00 H new ATOM 0 HG LEU A 11 5.630 -2.539 -3.448 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.482 -1.261 -5.367 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.584 -2.577 -4.895 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.545 -2.757 -6.329 1.00 0.00 H new ATOM 0 HD21 LEU A 11 4.035 -1.474 -4.986 1.00 0.00 H new ATOM 0 HD22 LEU A 11 3.937 -2.984 -5.923 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.365 -2.943 -4.238 1.00 0.00 H new ATOM 129 N ARG A 12 5.272 -4.327 -1.090 1.00 0.00 N ATOM 130 CA ARG A 12 4.409 -4.479 0.069 1.00 0.00 C ATOM 131 C ARG A 12 3.532 -3.238 0.244 1.00 0.00 C ATOM 132 O ARG A 12 3.976 -2.119 -0.006 1.00 0.00 O ATOM 133 CB ARG A 12 5.229 -4.699 1.342 1.00 0.00 C ATOM 134 CG ARG A 12 6.043 -5.992 1.253 1.00 0.00 C ATOM 135 CD ARG A 12 6.153 -6.666 2.622 1.00 0.00 C ATOM 136 NE ARG A 12 7.519 -7.202 2.814 1.00 0.00 N ATOM 137 CZ ARG A 12 7.974 -8.323 2.238 1.00 0.00 C ATOM 138 NH1 ARG A 12 7.175 -9.032 1.429 1.00 0.00 N ATOM 139 NH2 ARG A 12 9.228 -8.734 2.469 1.00 0.00 N ATOM 0 H ARG A 12 5.724 -3.416 -1.168 1.00 0.00 H new ATOM 0 HA ARG A 12 3.779 -5.353 -0.099 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.899 -3.853 1.498 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.564 -4.742 2.204 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.573 -6.674 0.545 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.040 -5.773 0.870 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.921 -5.949 3.409 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.423 -7.472 2.700 1.00 0.00 H new ATOM 0 HE ARG A 12 8.154 -6.686 3.423 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.221 -8.718 1.252 1.00 0.00 H new ATOM 0 HH12 ARG A 12 7.521 -9.885 0.990 1.00 0.00 H new ATOM 0 HH21 ARG A 12 9.837 -8.194 3.084 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.574 -9.587 2.030 1.00 0.00 H new ATOM 153 N VAL A 13 2.301 -3.478 0.672 1.00 0.00 N ATOM 154 CA VAL A 13 1.357 -2.394 0.884 1.00 0.00 C ATOM 155 C VAL A 13 0.941 -2.365 2.356 1.00 0.00 C ATOM 156 O VAL A 13 0.094 -3.150 2.781 1.00 0.00 O ATOM 157 CB VAL A 13 0.170 -2.540 -0.070 1.00 0.00 C ATOM 158 CG1 VAL A 13 -0.848 -1.418 0.145 1.00 0.00 C ATOM 159 CG2 VAL A 13 0.639 -2.583 -1.526 1.00 0.00 C ATOM 0 H VAL A 13 1.936 -4.408 0.878 1.00 0.00 H new ATOM 0 HA VAL A 13 1.822 -1.434 0.659 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.323 -3.487 0.152 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.681 -1.546 -0.546 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.217 -1.453 1.170 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.371 -0.455 -0.036 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.224 -2.687 -2.183 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.168 -1.661 -1.765 1.00 0.00 H new ATOM 0 HG23 VAL A 13 1.308 -3.432 -1.668 1.00 0.00 H new ATOM 169 N TYR A 14 1.556 -1.453 3.094 1.00 0.00 N ATOM 170 CA TYR A 14 1.260 -1.312 4.509 1.00 0.00 C ATOM 171 C TYR A 14 -0.095 -0.633 4.721 1.00 0.00 C ATOM 172 O TYR A 14 -0.187 0.594 4.709 1.00 0.00 O ATOM 173 CB TYR A 14 2.361 -0.418 5.083 1.00 0.00 C ATOM 174 CG TYR A 14 3.670 -1.152 5.376 1.00 0.00 C ATOM 175 CD1 TYR A 14 4.470 -1.578 4.334 1.00 0.00 C ATOM 176 CD2 TYR A 14 4.052 -1.390 6.680 1.00 0.00 C ATOM 177 CE1 TYR A 14 5.702 -2.270 4.609 1.00 0.00 C ATOM 178 CE2 TYR A 14 5.285 -2.081 6.955 1.00 0.00 C ATOM 179 CZ TYR A 14 6.049 -2.488 5.906 1.00 0.00 C ATOM 180 OH TYR A 14 7.213 -3.141 6.166 1.00 0.00 O ATOM 0 H TYR A 14 2.258 -0.804 2.738 1.00 0.00 H new ATOM 0 HA TYR A 14 1.220 -2.288 4.992 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.560 0.392 4.381 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.000 0.040 6.004 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.171 -1.392 3.313 1.00 0.00 H new ATOM 0 HD2 TYR A 14 3.426 -1.058 7.495 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.337 -2.609 3.803 1.00 0.00 H new ATOM 0 HE2 TYR A 14 5.596 -2.272 7.971 1.00 0.00 H new ATOM 0 HH TYR A 14 7.332 -3.224 7.135 1.00 0.00 H new ATOM 190 N SER A 15 -1.112 -1.460 4.911 1.00 0.00 N ATOM 191 CA SER A 15 -2.457 -0.954 5.126 1.00 0.00 C ATOM 192 C SER A 15 -2.918 -1.280 6.548 1.00 0.00 C ATOM 193 O SER A 15 -2.177 -1.884 7.322 1.00 0.00 O ATOM 194 CB SER A 15 -3.435 -1.540 4.104 1.00 0.00 C ATOM 195 OG SER A 15 -3.591 -2.947 4.260 1.00 0.00 O ATOM 0 H SER A 15 -1.032 -2.477 4.921 1.00 0.00 H new ATOM 0 HA SER A 15 -2.440 0.128 4.995 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.405 -1.054 4.210 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.079 -1.324 3.097 1.00 0.00 H new ATOM 0 HG SER A 15 -4.402 -3.240 3.794 1.00 0.00 H new ATOM 201 N THR A 16 -4.140 -0.865 6.849 1.00 0.00 N ATOM 202 CA THR A 16 -4.708 -1.105 8.165 1.00 0.00 C ATOM 203 C THR A 16 -6.108 -1.710 8.039 1.00 0.00 C ATOM 204 O THR A 16 -6.766 -1.552 7.012 1.00 0.00 O ATOM 205 CB THR A 16 -4.685 0.215 8.938 1.00 0.00 C ATOM 206 OG1 THR A 16 -5.578 -0.004 10.027 1.00 0.00 O ATOM 207 CG2 THR A 16 -5.325 1.363 8.156 1.00 0.00 C ATOM 0 H THR A 16 -4.752 -0.364 6.205 1.00 0.00 H new ATOM 0 HA THR A 16 -4.121 -1.835 8.722 1.00 0.00 H new ATOM 0 HB THR A 16 -3.655 0.473 9.183 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.027 0.836 10.256 1.00 0.00 H new ATOM 0 HG21 THR A 16 -5.282 2.276 8.750 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.784 1.512 7.221 1.00 0.00 H new ATOM 0 HG23 THR A 16 -6.365 1.120 7.939 1.00 0.00 H new ATOM 215 N SER A 17 -6.521 -2.391 9.098 1.00 0.00 N ATOM 216 CA SER A 17 -7.830 -3.021 9.119 1.00 0.00 C ATOM 217 C SER A 17 -8.829 -2.128 9.858 1.00 0.00 C ATOM 218 O SER A 17 -10.011 -2.101 9.520 1.00 0.00 O ATOM 219 CB SER A 17 -7.767 -4.402 9.775 1.00 0.00 C ATOM 220 OG SER A 17 -8.443 -5.391 9.004 1.00 0.00 O ATOM 0 H SER A 17 -5.972 -2.520 9.948 1.00 0.00 H new ATOM 0 HA SER A 17 -8.162 -3.153 8.089 1.00 0.00 H new ATOM 0 HB2 SER A 17 -6.725 -4.694 9.906 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.211 -4.352 10.769 1.00 0.00 H new ATOM 0 HG SER A 17 -8.378 -6.258 9.456 1.00 0.00 H new ATOM 226 N VAL A 18 -8.316 -1.418 10.852 1.00 0.00 N ATOM 227 CA VAL A 18 -9.148 -0.526 11.641 1.00 0.00 C ATOM 228 C VAL A 18 -8.611 0.902 11.525 1.00 0.00 C ATOM 229 O VAL A 18 -7.423 1.141 11.736 1.00 0.00 O ATOM 230 CB VAL A 18 -9.221 -1.021 13.087 1.00 0.00 C ATOM 231 CG1 VAL A 18 -10.113 -0.111 13.934 1.00 0.00 C ATOM 232 CG2 VAL A 18 -9.705 -2.471 13.146 1.00 0.00 C ATOM 0 H VAL A 18 -7.335 -1.442 11.129 1.00 0.00 H new ATOM 0 HA VAL A 18 -10.170 -0.521 11.261 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.215 -0.986 13.504 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.148 -0.485 14.957 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -9.707 0.901 13.931 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -11.120 -0.099 13.518 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -9.748 -2.798 14.185 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.698 -2.541 12.702 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.014 -3.108 12.593 1.00 0.00 H new ATOM 242 N THR A 19 -9.512 1.814 11.190 1.00 0.00 N ATOM 243 CA THR A 19 -9.143 3.212 11.044 1.00 0.00 C ATOM 244 C THR A 19 -10.394 4.092 11.008 1.00 0.00 C ATOM 245 O THR A 19 -10.471 5.096 11.715 1.00 0.00 O ATOM 246 CB THR A 19 -8.273 3.342 9.792 1.00 0.00 C ATOM 247 OG1 THR A 19 -8.077 4.747 9.650 1.00 0.00 O ATOM 248 CG2 THR A 19 -9.016 2.939 8.517 1.00 0.00 C ATOM 0 H THR A 19 -10.496 1.612 11.016 1.00 0.00 H new ATOM 0 HA THR A 19 -8.563 3.560 11.899 1.00 0.00 H new ATOM 0 HB THR A 19 -7.383 2.723 9.904 1.00 0.00 H new ATOM 0 HG1 THR A 19 -8.285 5.015 8.731 1.00 0.00 H new ATOM 0 HG21 THR A 19 -8.353 3.050 7.659 1.00 0.00 H new ATOM 0 HG22 THR A 19 -9.337 1.900 8.596 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.888 3.579 8.387 1.00 0.00 H new ATOM 256 N GLY A 20 -11.343 3.684 10.178 1.00 0.00 N ATOM 257 CA GLY A 20 -12.586 4.424 10.041 1.00 0.00 C ATOM 258 C GLY A 20 -12.488 5.459 8.919 1.00 0.00 C ATOM 259 O GLY A 20 -13.421 5.621 8.135 1.00 0.00 O ATOM 0 H GLY A 20 -11.276 2.851 9.594 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -13.403 3.733 9.833 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -12.822 4.923 10.981 1.00 0.00 H new ATOM 263 N SER A 21 -11.348 6.134 8.879 1.00 0.00 N ATOM 264 CA SER A 21 -11.115 7.150 7.866 1.00 0.00 C ATOM 265 C SER A 21 -11.342 6.561 6.472 1.00 0.00 C ATOM 266 O SER A 21 -10.552 5.744 6.004 1.00 0.00 O ATOM 267 CB SER A 21 -9.701 7.724 7.976 1.00 0.00 C ATOM 268 OG SER A 21 -9.482 8.368 9.228 1.00 0.00 O ATOM 0 H SER A 21 -10.576 5.997 9.532 1.00 0.00 H new ATOM 0 HA SER A 21 -11.822 7.964 8.029 1.00 0.00 H new ATOM 0 HB2 SER A 21 -8.973 6.922 7.849 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.535 8.436 7.168 1.00 0.00 H new ATOM 0 HG SER A 21 -8.568 8.719 9.260 1.00 0.00 H new ATOM 274 N ARG A 22 -12.426 6.999 5.849 1.00 0.00 N ATOM 275 CA ARG A 22 -12.767 6.525 4.518 1.00 0.00 C ATOM 276 C ARG A 22 -11.618 6.801 3.546 1.00 0.00 C ATOM 277 O ARG A 22 -11.219 5.920 2.786 1.00 0.00 O ATOM 278 CB ARG A 22 -14.038 7.204 4.001 1.00 0.00 C ATOM 279 CG ARG A 22 -14.427 6.661 2.625 1.00 0.00 C ATOM 280 CD ARG A 22 -14.362 7.760 1.563 1.00 0.00 C ATOM 281 NE ARG A 22 -15.490 7.617 0.616 1.00 0.00 N ATOM 282 CZ ARG A 22 -15.931 8.599 -0.182 1.00 0.00 C ATOM 283 NH1 ARG A 22 -15.342 9.802 -0.152 1.00 0.00 N ATOM 284 NH2 ARG A 22 -16.961 8.378 -1.010 1.00 0.00 N ATOM 0 H ARG A 22 -13.080 7.677 6.241 1.00 0.00 H new ATOM 0 HA ARG A 22 -12.943 5.451 4.583 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -14.854 7.041 4.705 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -13.881 8.281 3.940 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -13.759 5.845 2.350 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -15.435 6.248 2.665 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -14.398 8.740 2.039 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -13.416 7.702 1.025 1.00 0.00 H new ATOM 0 HE ARG A 22 -15.962 6.714 0.568 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -14.558 9.970 0.478 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -15.678 10.549 -0.759 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -17.410 7.462 -1.033 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -17.297 9.126 -1.617 1.00 0.00 H new ATOM 298 N GLU A 23 -11.119 8.027 3.602 1.00 0.00 N ATOM 299 CA GLU A 23 -10.024 8.429 2.736 1.00 0.00 C ATOM 300 C GLU A 23 -8.912 7.379 2.764 1.00 0.00 C ATOM 301 O GLU A 23 -8.620 6.752 1.747 1.00 0.00 O ATOM 302 CB GLU A 23 -9.488 9.806 3.134 1.00 0.00 C ATOM 303 CG GLU A 23 -9.772 10.841 2.044 1.00 0.00 C ATOM 304 CD GLU A 23 -8.705 11.938 2.038 1.00 0.00 C ATOM 305 OE1 GLU A 23 -8.469 12.505 3.127 1.00 0.00 O ATOM 306 OE2 GLU A 23 -8.151 12.185 0.945 1.00 0.00 O ATOM 0 H GLU A 23 -11.453 8.755 4.234 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.401 8.503 1.716 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -9.948 10.123 4.070 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -8.414 9.745 3.311 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -9.800 10.351 1.071 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -10.754 11.285 2.206 1.00 0.00 H new ATOM 313 N ILE A 24 -8.321 7.219 3.939 1.00 0.00 N ATOM 314 CA ILE A 24 -7.248 6.256 4.113 1.00 0.00 C ATOM 315 C ILE A 24 -7.598 4.969 3.363 1.00 0.00 C ATOM 316 O ILE A 24 -6.958 4.633 2.367 1.00 0.00 O ATOM 317 CB ILE A 24 -6.955 6.041 5.599 1.00 0.00 C ATOM 318 CG1 ILE A 24 -6.511 7.346 6.264 1.00 0.00 C ATOM 319 CG2 ILE A 24 -5.935 4.919 5.801 1.00 0.00 C ATOM 320 CD1 ILE A 24 -6.107 7.109 7.721 1.00 0.00 C ATOM 0 H ILE A 24 -8.566 7.741 4.780 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.322 6.636 3.682 1.00 0.00 H new ATOM 0 HB ILE A 24 -7.878 5.728 6.087 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.671 7.771 5.714 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -7.321 8.074 6.221 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.745 4.787 6.866 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -6.328 3.991 5.385 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -5.004 5.178 5.296 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.796 8.052 8.170 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.956 6.707 8.273 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.281 6.399 7.759 1.00 0.00 H new ATOM 332 N LYS A 25 -8.612 4.283 3.870 1.00 0.00 N ATOM 333 CA LYS A 25 -9.054 3.040 3.261 1.00 0.00 C ATOM 334 C LYS A 25 -9.054 3.195 1.739 1.00 0.00 C ATOM 335 O LYS A 25 -8.477 2.373 1.028 1.00 0.00 O ATOM 336 CB LYS A 25 -10.407 2.614 3.836 1.00 0.00 C ATOM 337 CG LYS A 25 -10.257 2.104 5.270 1.00 0.00 C ATOM 338 CD LYS A 25 -11.556 1.463 5.763 1.00 0.00 C ATOM 339 CE LYS A 25 -12.335 2.425 6.662 1.00 0.00 C ATOM 340 NZ LYS A 25 -13.587 1.793 7.134 1.00 0.00 N ATOM 0 H LYS A 25 -9.140 4.565 4.696 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.363 2.231 3.499 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.096 3.458 3.817 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.842 1.833 3.212 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.447 1.376 5.318 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.983 2.930 5.927 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.172 1.178 4.910 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.329 0.549 6.312 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.721 2.712 7.516 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.566 3.338 6.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.104 2.459 7.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -14.178 1.541 6.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.360 0.934 7.675 1.00 0.00 H new ATOM 354 N SER A 26 -9.707 4.254 1.284 1.00 0.00 N ATOM 355 CA SER A 26 -9.789 4.527 -0.141 1.00 0.00 C ATOM 356 C SER A 26 -8.390 4.501 -0.760 1.00 0.00 C ATOM 357 O SER A 26 -8.166 3.830 -1.767 1.00 0.00 O ATOM 358 CB SER A 26 -10.461 5.876 -0.405 1.00 0.00 C ATOM 359 OG SER A 26 -11.705 5.729 -1.084 1.00 0.00 O ATOM 0 H SER A 26 -10.184 4.933 1.877 1.00 0.00 H new ATOM 0 HA SER A 26 -10.399 3.751 -0.604 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.623 6.392 0.542 1.00 0.00 H new ATOM 0 HB3 SER A 26 -9.796 6.502 -0.999 1.00 0.00 H new ATOM 0 HG SER A 26 -12.103 6.612 -1.232 1.00 0.00 H new ATOM 365 N GLN A 27 -7.486 5.239 -0.134 1.00 0.00 N ATOM 366 CA GLN A 27 -6.115 5.308 -0.611 1.00 0.00 C ATOM 367 C GLN A 27 -5.531 3.901 -0.754 1.00 0.00 C ATOM 368 O GLN A 27 -4.792 3.625 -1.698 1.00 0.00 O ATOM 369 CB GLN A 27 -5.254 6.167 0.317 1.00 0.00 C ATOM 370 CG GLN A 27 -5.518 7.657 0.088 1.00 0.00 C ATOM 371 CD GLN A 27 -5.079 8.484 1.297 1.00 0.00 C ATOM 372 OE1 GLN A 27 -4.329 8.036 2.149 1.00 0.00 O ATOM 373 NE2 GLN A 27 -5.586 9.714 1.324 1.00 0.00 N ATOM 0 H GLN A 27 -7.676 5.795 0.700 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.116 5.781 -1.593 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -5.466 5.912 1.355 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -4.200 5.950 0.145 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -4.983 7.992 -0.800 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -6.580 7.817 -0.100 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -6.208 10.026 0.578 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -5.352 10.345 2.090 1.00 0.00 H new ATOM 382 N GLN A 28 -5.885 3.049 0.196 1.00 0.00 N ATOM 383 CA GLN A 28 -5.405 1.677 0.187 1.00 0.00 C ATOM 384 C GLN A 28 -6.075 0.888 -0.939 1.00 0.00 C ATOM 385 O GLN A 28 -5.433 0.069 -1.595 1.00 0.00 O ATOM 386 CB GLN A 28 -5.639 1.006 1.542 1.00 0.00 C ATOM 387 CG GLN A 28 -5.185 1.911 2.689 1.00 0.00 C ATOM 388 CD GLN A 28 -5.255 1.176 4.029 1.00 0.00 C ATOM 389 OE1 GLN A 28 -4.328 1.188 4.822 1.00 0.00 O ATOM 390 NE2 GLN A 28 -6.403 0.537 4.236 1.00 0.00 N ATOM 0 H GLN A 28 -6.498 3.281 0.977 1.00 0.00 H new ATOM 0 HA GLN A 28 -4.330 1.689 0.005 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.697 0.771 1.657 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.096 0.062 1.583 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.164 2.249 2.508 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.813 2.801 2.725 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -7.138 0.568 3.530 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.548 0.016 5.101 1.00 0.00 H new ATOM 399 N SER A 29 -7.358 1.161 -1.129 1.00 0.00 N ATOM 400 CA SER A 29 -8.122 0.487 -2.164 1.00 0.00 C ATOM 401 C SER A 29 -7.662 0.959 -3.545 1.00 0.00 C ATOM 402 O SER A 29 -7.561 0.161 -4.476 1.00 0.00 O ATOM 403 CB SER A 29 -9.622 0.733 -1.991 1.00 0.00 C ATOM 404 OG SER A 29 -10.314 -0.448 -1.596 1.00 0.00 O ATOM 0 H SER A 29 -7.887 1.841 -0.583 1.00 0.00 H new ATOM 0 HA SER A 29 -7.945 -0.585 -2.076 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.778 1.512 -1.244 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.039 1.102 -2.928 1.00 0.00 H new ATOM 0 HG SER A 29 -11.268 -0.249 -1.494 1.00 0.00 H new ATOM 410 N GLU A 30 -7.397 2.254 -3.634 1.00 0.00 N ATOM 411 CA GLU A 30 -6.951 2.842 -4.885 1.00 0.00 C ATOM 412 C GLU A 30 -5.660 2.170 -5.358 1.00 0.00 C ATOM 413 O GLU A 30 -5.647 1.499 -6.388 1.00 0.00 O ATOM 414 CB GLU A 30 -6.762 4.354 -4.744 1.00 0.00 C ATOM 415 CG GLU A 30 -7.919 5.114 -5.394 1.00 0.00 C ATOM 416 CD GLU A 30 -8.568 6.079 -4.400 1.00 0.00 C ATOM 417 OE1 GLU A 30 -7.801 6.730 -3.658 1.00 0.00 O ATOM 418 OE2 GLU A 30 -9.816 6.145 -4.405 1.00 0.00 O ATOM 0 H GLU A 30 -7.483 2.913 -2.860 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.722 2.674 -5.637 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.695 4.619 -3.689 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.821 4.651 -5.207 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.555 5.668 -6.259 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.664 4.407 -5.759 1.00 0.00 H new ATOM 425 N VAL A 31 -4.606 2.374 -4.581 1.00 0.00 N ATOM 426 CA VAL A 31 -3.313 1.796 -4.907 1.00 0.00 C ATOM 427 C VAL A 31 -3.505 0.342 -5.345 1.00 0.00 C ATOM 428 O VAL A 31 -3.151 -0.024 -6.464 1.00 0.00 O ATOM 429 CB VAL A 31 -2.361 1.941 -3.718 1.00 0.00 C ATOM 430 CG1 VAL A 31 -1.047 1.199 -3.975 1.00 0.00 C ATOM 431 CG2 VAL A 31 -2.104 3.415 -3.398 1.00 0.00 C ATOM 0 H VAL A 31 -4.621 2.931 -3.727 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.855 2.329 -5.740 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.838 1.488 -2.849 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.388 1.318 -3.115 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.252 0.140 -4.132 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.564 1.610 -4.862 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.424 3.490 -2.549 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.658 3.903 -4.264 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.047 3.904 -3.152 1.00 0.00 H new ATOM 441 N THR A 32 -4.066 -0.446 -4.439 1.00 0.00 N ATOM 442 CA THR A 32 -4.309 -1.851 -4.718 1.00 0.00 C ATOM 443 C THR A 32 -4.973 -2.016 -6.086 1.00 0.00 C ATOM 444 O THR A 32 -4.666 -2.954 -6.821 1.00 0.00 O ATOM 445 CB THR A 32 -5.138 -2.425 -3.567 1.00 0.00 C ATOM 446 OG1 THR A 32 -6.255 -1.546 -3.471 1.00 0.00 O ATOM 447 CG2 THR A 32 -4.436 -2.286 -2.215 1.00 0.00 C ATOM 0 H THR A 32 -4.359 -0.138 -3.512 1.00 0.00 H new ATOM 0 HA THR A 32 -3.375 -2.410 -4.776 1.00 0.00 H new ATOM 0 HB THR A 32 -5.348 -3.477 -3.760 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.068 -0.850 -2.807 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.066 -2.709 -1.433 1.00 0.00 H new ATOM 0 HG22 THR A 32 -3.485 -2.818 -2.242 1.00 0.00 H new ATOM 0 HG23 THR A 32 -4.255 -1.232 -2.005 1.00 0.00 H new ATOM 455 N ARG A 33 -5.872 -1.090 -6.388 1.00 0.00 N ATOM 456 CA ARG A 33 -6.582 -1.121 -7.655 1.00 0.00 C ATOM 457 C ARG A 33 -5.593 -1.044 -8.820 1.00 0.00 C ATOM 458 O ARG A 33 -5.590 -1.910 -9.694 1.00 0.00 O ATOM 459 CB ARG A 33 -7.573 0.040 -7.759 1.00 0.00 C ATOM 460 CG ARG A 33 -8.778 -0.343 -8.621 1.00 0.00 C ATOM 461 CD ARG A 33 -10.012 0.475 -8.233 1.00 0.00 C ATOM 462 NE ARG A 33 -10.700 -0.159 -7.087 1.00 0.00 N ATOM 463 CZ ARG A 33 -11.820 0.316 -6.526 1.00 0.00 C ATOM 464 NH1 ARG A 33 -12.386 1.434 -7.003 1.00 0.00 N ATOM 465 NH2 ARG A 33 -12.375 -0.325 -5.489 1.00 0.00 N ATOM 0 H ARG A 33 -6.125 -0.314 -5.777 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.133 -2.060 -7.703 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.910 0.325 -6.763 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -7.076 0.910 -8.188 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -8.544 -0.178 -9.673 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -8.990 -1.406 -8.504 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.717 1.492 -7.974 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -10.692 0.547 -9.082 1.00 0.00 H new ATOM 0 HE ARG A 33 -10.296 -1.012 -6.699 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -11.964 1.922 -7.793 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -13.239 1.796 -6.576 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -11.945 -1.176 -5.126 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -13.228 0.037 -5.063 1.00 0.00 H new ATOM 479 N ILE A 34 -4.778 0.000 -8.795 1.00 0.00 N ATOM 480 CA ILE A 34 -3.787 0.201 -9.838 1.00 0.00 C ATOM 481 C ILE A 34 -2.835 -0.997 -9.869 1.00 0.00 C ATOM 482 O ILE A 34 -2.652 -1.623 -10.912 1.00 0.00 O ATOM 483 CB ILE A 34 -3.079 1.544 -9.653 1.00 0.00 C ATOM 484 CG1 ILE A 34 -4.090 2.689 -9.560 1.00 0.00 C ATOM 485 CG2 ILE A 34 -2.049 1.778 -10.760 1.00 0.00 C ATOM 486 CD1 ILE A 34 -4.114 3.286 -8.152 1.00 0.00 C ATOM 0 H ILE A 34 -4.784 0.716 -8.069 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.268 0.252 -10.815 1.00 0.00 H new ATOM 0 HB ILE A 34 -2.536 1.516 -8.708 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.835 3.464 -10.283 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.083 2.324 -9.821 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.560 2.740 -10.605 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.303 0.984 -10.737 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.549 1.777 -11.728 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.841 4.098 -8.113 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.393 2.514 -7.434 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.125 3.672 -7.904 1.00 0.00 H new ATOM 498 N LEU A 35 -2.254 -1.280 -8.712 1.00 0.00 N ATOM 499 CA LEU A 35 -1.326 -2.391 -8.593 1.00 0.00 C ATOM 500 C LEU A 35 -1.957 -3.645 -9.201 1.00 0.00 C ATOM 501 O LEU A 35 -1.267 -4.457 -9.815 1.00 0.00 O ATOM 502 CB LEU A 35 -0.885 -2.568 -7.138 1.00 0.00 C ATOM 503 CG LEU A 35 0.093 -1.521 -6.602 1.00 0.00 C ATOM 504 CD1 LEU A 35 -0.149 -0.159 -7.256 1.00 0.00 C ATOM 505 CD2 LEU A 35 0.029 -1.443 -5.075 1.00 0.00 C ATOM 0 H LEU A 35 -2.408 -0.759 -7.849 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.415 -2.188 -9.156 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.774 -2.563 -6.507 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.426 -3.551 -7.035 1.00 0.00 H new ATOM 0 HG LEU A 35 1.104 -1.830 -6.867 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.559 0.567 -6.857 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.013 -0.244 -8.334 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.166 0.171 -7.043 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.734 -0.691 -4.719 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.980 -1.169 -4.767 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.288 -2.413 -4.650 1.00 0.00 H new ATOM 517 N ASP A 36 -3.263 -3.764 -9.008 1.00 0.00 N ATOM 518 CA ASP A 36 -3.995 -4.906 -9.530 1.00 0.00 C ATOM 519 C ASP A 36 -4.062 -4.809 -11.055 1.00 0.00 C ATOM 520 O ASP A 36 -3.800 -5.787 -11.754 1.00 0.00 O ATOM 521 CB ASP A 36 -5.428 -4.932 -8.994 1.00 0.00 C ATOM 522 CG ASP A 36 -6.238 -6.173 -9.374 1.00 0.00 C ATOM 523 OD1 ASP A 36 -5.809 -6.861 -10.326 1.00 0.00 O ATOM 524 OD2 ASP A 36 -7.267 -6.406 -8.705 1.00 0.00 O ATOM 0 H ASP A 36 -3.833 -3.089 -8.498 1.00 0.00 H new ATOM 0 HA ASP A 36 -3.476 -5.812 -9.217 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.395 -4.857 -7.907 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -5.952 -4.049 -9.359 1.00 0.00 H new ATOM 529 N GLY A 37 -4.414 -3.622 -11.527 1.00 0.00 N ATOM 530 CA GLY A 37 -4.519 -3.386 -12.956 1.00 0.00 C ATOM 531 C GLY A 37 -3.150 -3.497 -13.632 1.00 0.00 C ATOM 532 O GLY A 37 -3.019 -4.135 -14.675 1.00 0.00 O ATOM 0 H GLY A 37 -4.630 -2.813 -10.944 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.206 -4.107 -13.398 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.938 -2.396 -13.135 1.00 0.00 H new ATOM 536 N LYS A 38 -2.166 -2.865 -13.009 1.00 0.00 N ATOM 537 CA LYS A 38 -0.812 -2.885 -13.537 1.00 0.00 C ATOM 538 C LYS A 38 -0.228 -4.290 -13.379 1.00 0.00 C ATOM 539 O LYS A 38 0.854 -4.577 -13.887 1.00 0.00 O ATOM 540 CB LYS A 38 0.034 -1.790 -12.884 1.00 0.00 C ATOM 541 CG LYS A 38 -0.551 -0.404 -13.167 1.00 0.00 C ATOM 542 CD LYS A 38 0.496 0.513 -13.803 1.00 0.00 C ATOM 543 CE LYS A 38 -0.050 1.932 -13.973 1.00 0.00 C ATOM 544 NZ LYS A 38 0.269 2.451 -15.322 1.00 0.00 N ATOM 0 H LYS A 38 -2.279 -2.336 -12.144 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.816 -2.659 -14.603 1.00 0.00 H new ATOM 0 HB2 LYS A 38 0.082 -1.956 -11.808 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.056 -1.841 -13.260 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.410 -0.497 -13.831 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.912 0.039 -12.239 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.391 0.536 -13.181 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.792 0.115 -14.773 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.130 1.933 -13.822 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.379 2.587 -13.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.108 3.415 -15.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.301 2.468 -15.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -0.161 1.835 -16.041 1.00 0.00 H new ATOM 558 N ARG A 39 -0.971 -5.129 -12.671 1.00 0.00 N ATOM 559 CA ARG A 39 -0.540 -6.497 -12.439 1.00 0.00 C ATOM 560 C ARG A 39 0.852 -6.514 -11.803 1.00 0.00 C ATOM 561 O ARG A 39 1.690 -7.341 -12.159 1.00 0.00 O ATOM 562 CB ARG A 39 -0.506 -7.293 -13.745 1.00 0.00 C ATOM 563 CG ARG A 39 -1.885 -7.870 -14.071 1.00 0.00 C ATOM 564 CD ARG A 39 -2.128 -9.174 -13.308 1.00 0.00 C ATOM 565 NE ARG A 39 -3.510 -9.649 -13.543 1.00 0.00 N ATOM 566 CZ ARG A 39 -3.958 -10.860 -13.188 1.00 0.00 C ATOM 567 NH1 ARG A 39 -3.137 -11.727 -12.580 1.00 0.00 N ATOM 568 NH2 ARG A 39 -5.228 -11.205 -13.441 1.00 0.00 N ATOM 0 H ARG A 39 -1.868 -4.887 -12.251 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.258 -6.961 -11.763 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.176 -6.648 -14.560 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.221 -8.101 -13.664 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.657 -7.145 -13.814 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -1.963 -8.052 -15.143 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.414 -9.932 -13.631 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.965 -9.017 -12.242 1.00 0.00 H new ATOM 0 HE ARG A 39 -4.162 -9.014 -14.004 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -2.170 -11.465 -12.387 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -3.479 -12.649 -12.310 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -5.853 -10.545 -13.904 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.569 -12.127 -13.171 1.00 0.00 H new ATOM 582 N ILE A 40 1.054 -5.593 -10.873 1.00 0.00 N ATOM 583 CA ILE A 40 2.330 -5.492 -10.184 1.00 0.00 C ATOM 584 C ILE A 40 2.382 -6.531 -9.062 1.00 0.00 C ATOM 585 O ILE A 40 1.348 -6.913 -8.517 1.00 0.00 O ATOM 586 CB ILE A 40 2.569 -4.058 -9.707 1.00 0.00 C ATOM 587 CG1 ILE A 40 2.937 -3.144 -10.877 1.00 0.00 C ATOM 588 CG2 ILE A 40 3.620 -4.019 -8.596 1.00 0.00 C ATOM 589 CD1 ILE A 40 2.812 -1.671 -10.483 1.00 0.00 C ATOM 0 H ILE A 40 0.356 -4.910 -10.580 1.00 0.00 H new ATOM 0 HA ILE A 40 3.150 -5.717 -10.865 1.00 0.00 H new ATOM 0 HB ILE A 40 1.639 -3.679 -9.284 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.957 -3.353 -11.199 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.286 -3.354 -11.726 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.772 -2.989 -8.275 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.278 -4.616 -7.751 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.560 -4.424 -8.970 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.079 -1.043 -11.333 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.785 -1.460 -10.185 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.482 -1.459 -9.650 1.00 0.00 H new ATOM 601 N GLN A 41 3.597 -6.958 -8.751 1.00 0.00 N ATOM 602 CA GLN A 41 3.797 -7.945 -7.704 1.00 0.00 C ATOM 603 C GLN A 41 3.981 -7.254 -6.351 1.00 0.00 C ATOM 604 O GLN A 41 5.008 -6.622 -6.108 1.00 0.00 O ATOM 605 CB GLN A 41 4.989 -8.850 -8.024 1.00 0.00 C ATOM 606 CG GLN A 41 4.534 -10.290 -8.268 1.00 0.00 C ATOM 607 CD GLN A 41 4.507 -11.085 -6.961 1.00 0.00 C ATOM 608 OE1 GLN A 41 3.676 -10.875 -6.094 1.00 0.00 O ATOM 609 NE2 GLN A 41 5.460 -12.008 -6.870 1.00 0.00 N ATOM 0 H GLN A 41 4.452 -6.639 -9.206 1.00 0.00 H new ATOM 0 HA GLN A 41 2.909 -8.575 -7.651 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.509 -8.475 -8.906 1.00 0.00 H new ATOM 0 HB3 GLN A 41 5.701 -8.825 -7.199 1.00 0.00 H new ATOM 0 HG2 GLN A 41 3.541 -10.290 -8.719 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.206 -10.772 -8.978 1.00 0.00 H new ATOM 0 HE21 GLN A 41 6.125 -12.132 -7.634 1.00 0.00 H new ATOM 0 HE22 GLN A 41 5.526 -12.592 -6.036 1.00 0.00 H new ATOM 618 N TYR A 42 2.970 -7.399 -5.507 1.00 0.00 N ATOM 619 CA TYR A 42 3.008 -6.796 -4.185 1.00 0.00 C ATOM 620 C TYR A 42 2.228 -7.641 -3.175 1.00 0.00 C ATOM 621 O TYR A 42 1.541 -8.589 -3.553 1.00 0.00 O ATOM 622 CB TYR A 42 2.328 -5.433 -4.324 1.00 0.00 C ATOM 623 CG TYR A 42 0.801 -5.501 -4.380 1.00 0.00 C ATOM 624 CD1 TYR A 42 0.076 -5.696 -3.221 1.00 0.00 C ATOM 625 CD2 TYR A 42 0.148 -5.369 -5.588 1.00 0.00 C ATOM 626 CE1 TYR A 42 -1.362 -5.760 -3.274 1.00 0.00 C ATOM 627 CE2 TYR A 42 -1.290 -5.434 -5.640 1.00 0.00 C ATOM 628 CZ TYR A 42 -1.974 -5.626 -4.481 1.00 0.00 C ATOM 629 OH TYR A 42 -3.331 -5.687 -4.530 1.00 0.00 O ATOM 0 H TYR A 42 2.120 -7.925 -5.712 1.00 0.00 H new ATOM 0 HA TYR A 42 4.035 -6.717 -3.828 1.00 0.00 H new ATOM 0 HB2 TYR A 42 2.623 -4.804 -3.484 1.00 0.00 H new ATOM 0 HB3 TYR A 42 2.693 -4.947 -5.229 1.00 0.00 H new ATOM 0 HD1 TYR A 42 0.587 -5.800 -2.275 1.00 0.00 H new ATOM 0 HD2 TYR A 42 0.715 -5.217 -6.495 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -1.941 -5.911 -2.375 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -1.813 -5.332 -6.579 1.00 0.00 H new ATOM 0 HH TYR A 42 -3.630 -5.575 -5.456 1.00 0.00 H new ATOM 639 N GLN A 43 2.360 -7.266 -1.911 1.00 0.00 N ATOM 640 CA GLN A 43 1.676 -7.978 -0.845 1.00 0.00 C ATOM 641 C GLN A 43 1.177 -6.993 0.215 1.00 0.00 C ATOM 642 O GLN A 43 1.946 -6.178 0.722 1.00 0.00 O ATOM 643 CB GLN A 43 2.586 -9.038 -0.222 1.00 0.00 C ATOM 644 CG GLN A 43 1.765 -10.186 0.370 1.00 0.00 C ATOM 645 CD GLN A 43 2.676 -11.304 0.883 1.00 0.00 C ATOM 646 OE1 GLN A 43 2.839 -12.341 0.261 1.00 0.00 O ATOM 647 NE2 GLN A 43 3.258 -11.035 2.048 1.00 0.00 N ATOM 0 H GLN A 43 2.930 -6.479 -1.601 1.00 0.00 H new ATOM 0 HA GLN A 43 0.814 -8.491 -1.272 1.00 0.00 H new ATOM 0 HB2 GLN A 43 3.269 -9.426 -0.978 1.00 0.00 H new ATOM 0 HB3 GLN A 43 3.198 -8.584 0.557 1.00 0.00 H new ATOM 0 HG2 GLN A 43 1.147 -9.812 1.186 1.00 0.00 H new ATOM 0 HG3 GLN A 43 1.088 -10.582 -0.387 1.00 0.00 H new ATOM 0 HE21 GLN A 43 3.077 -10.146 2.515 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.885 -11.717 2.474 1.00 0.00 H new ATOM 656 N LEU A 44 -0.108 -7.101 0.518 1.00 0.00 N ATOM 657 CA LEU A 44 -0.720 -6.230 1.507 1.00 0.00 C ATOM 658 C LEU A 44 -0.233 -6.630 2.902 1.00 0.00 C ATOM 659 O LEU A 44 0.075 -7.795 3.146 1.00 0.00 O ATOM 660 CB LEU A 44 -2.243 -6.240 1.362 1.00 0.00 C ATOM 661 CG LEU A 44 -2.886 -4.913 0.952 1.00 0.00 C ATOM 662 CD1 LEU A 44 -2.538 -3.805 1.948 1.00 0.00 C ATOM 663 CD2 LEU A 44 -2.502 -4.537 -0.480 1.00 0.00 C ATOM 0 H LEU A 44 -0.743 -7.779 0.096 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.415 -5.196 1.345 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.513 -6.995 0.624 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.677 -6.553 2.312 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.969 -5.037 0.973 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.007 -2.873 1.634 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.902 -4.079 2.938 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.457 -3.673 1.983 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.972 -3.590 -0.746 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.419 -4.437 -0.552 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.841 -5.315 -1.164 1.00 0.00 H new ATOM 675 N VAL A 45 -0.177 -5.639 3.781 1.00 0.00 N ATOM 676 CA VAL A 45 0.267 -5.873 5.144 1.00 0.00 C ATOM 677 C VAL A 45 -0.661 -5.135 6.112 1.00 0.00 C ATOM 678 O VAL A 45 -0.846 -3.925 5.998 1.00 0.00 O ATOM 679 CB VAL A 45 1.734 -5.464 5.294 1.00 0.00 C ATOM 680 CG1 VAL A 45 2.172 -5.522 6.758 1.00 0.00 C ATOM 681 CG2 VAL A 45 2.637 -6.332 4.416 1.00 0.00 C ATOM 0 H VAL A 45 -0.432 -4.673 3.575 1.00 0.00 H new ATOM 0 HA VAL A 45 0.213 -6.934 5.386 1.00 0.00 H new ATOM 0 HB VAL A 45 1.831 -4.432 4.957 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.218 -5.227 6.837 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.558 -4.842 7.349 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.053 -6.538 7.134 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.674 -6.021 4.541 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.534 -7.377 4.709 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.347 -6.218 3.371 1.00 0.00 H new ATOM 691 N ASP A 46 -1.219 -5.896 7.042 1.00 0.00 N ATOM 692 CA ASP A 46 -2.123 -5.330 8.028 1.00 0.00 C ATOM 693 C ASP A 46 -1.312 -4.805 9.214 1.00 0.00 C ATOM 694 O ASP A 46 -0.803 -5.585 10.017 1.00 0.00 O ATOM 695 CB ASP A 46 -3.098 -6.387 8.553 1.00 0.00 C ATOM 696 CG ASP A 46 -4.094 -5.884 9.600 1.00 0.00 C ATOM 697 OD1 ASP A 46 -4.067 -4.664 9.870 1.00 0.00 O ATOM 698 OD2 ASP A 46 -4.860 -6.732 10.107 1.00 0.00 O ATOM 0 H ASP A 46 -1.062 -6.900 7.133 1.00 0.00 H new ATOM 0 HA ASP A 46 -2.684 -4.528 7.550 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -3.655 -6.796 7.710 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -2.524 -7.207 8.984 1.00 0.00 H new ATOM 703 N ILE A 47 -1.218 -3.485 9.287 1.00 0.00 N ATOM 704 CA ILE A 47 -0.478 -2.846 10.362 1.00 0.00 C ATOM 705 C ILE A 47 -1.253 -3.001 11.672 1.00 0.00 C ATOM 706 O ILE A 47 -0.671 -3.324 12.707 1.00 0.00 O ATOM 707 CB ILE A 47 -0.160 -1.393 10.004 1.00 0.00 C ATOM 708 CG1 ILE A 47 -1.430 -0.539 10.000 1.00 0.00 C ATOM 709 CG2 ILE A 47 0.592 -1.307 8.674 1.00 0.00 C ATOM 710 CD1 ILE A 47 -1.124 0.897 9.571 1.00 0.00 C ATOM 0 H ILE A 47 -1.642 -2.841 8.619 1.00 0.00 H new ATOM 0 HA ILE A 47 0.487 -3.334 10.502 1.00 0.00 H new ATOM 0 HB ILE A 47 0.498 -0.989 10.773 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.164 -0.976 9.323 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.875 -0.538 10.995 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.805 -0.263 8.444 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.528 -1.861 8.749 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.021 -1.736 7.881 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.044 1.482 9.577 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.408 1.339 10.264 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.702 0.894 8.566 1.00 0.00 H new ATOM 722 N SER A 48 -2.553 -2.765 11.585 1.00 0.00 N ATOM 723 CA SER A 48 -3.414 -2.874 12.750 1.00 0.00 C ATOM 724 C SER A 48 -3.143 -4.192 13.479 1.00 0.00 C ATOM 725 O SER A 48 -3.154 -4.240 14.708 1.00 0.00 O ATOM 726 CB SER A 48 -4.889 -2.779 12.357 1.00 0.00 C ATOM 727 OG SER A 48 -5.393 -4.019 11.869 1.00 0.00 O ATOM 0 H SER A 48 -3.032 -2.498 10.725 1.00 0.00 H new ATOM 0 HA SER A 48 -3.191 -2.043 13.419 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.475 -2.465 13.221 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.012 -2.012 11.592 1.00 0.00 H new ATOM 0 HG SER A 48 -5.110 -4.144 10.939 1.00 0.00 H new ATOM 733 N GLN A 49 -2.907 -5.230 12.689 1.00 0.00 N ATOM 734 CA GLN A 49 -2.634 -6.545 13.244 1.00 0.00 C ATOM 735 C GLN A 49 -1.661 -6.433 14.420 1.00 0.00 C ATOM 736 O GLN A 49 -1.991 -6.815 15.541 1.00 0.00 O ATOM 737 CB GLN A 49 -2.091 -7.490 12.171 1.00 0.00 C ATOM 738 CG GLN A 49 -2.822 -8.834 12.203 1.00 0.00 C ATOM 739 CD GLN A 49 -1.923 -9.934 12.770 1.00 0.00 C ATOM 740 OE1 GLN A 49 -1.137 -10.552 12.071 1.00 0.00 O ATOM 741 NE2 GLN A 49 -2.083 -10.144 14.074 1.00 0.00 N ATOM 0 H GLN A 49 -2.899 -5.187 11.670 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.570 -6.965 13.611 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.205 -7.033 11.188 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.024 -7.649 12.327 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.723 -8.747 12.810 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.140 -9.103 11.196 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.759 -9.591 14.600 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.530 -10.858 14.547 1.00 0.00 H new ATOM 750 N ASP A 50 -0.481 -5.909 14.122 1.00 0.00 N ATOM 751 CA ASP A 50 0.542 -5.743 15.141 1.00 0.00 C ATOM 752 C ASP A 50 0.875 -4.257 15.285 1.00 0.00 C ATOM 753 O ASP A 50 1.373 -3.634 14.348 1.00 0.00 O ATOM 754 CB ASP A 50 1.827 -6.480 14.756 1.00 0.00 C ATOM 755 CG ASP A 50 2.517 -7.218 15.905 1.00 0.00 C ATOM 756 OD1 ASP A 50 1.853 -8.095 16.497 1.00 0.00 O ATOM 757 OD2 ASP A 50 3.695 -6.887 16.166 1.00 0.00 O ATOM 0 H ASP A 50 -0.211 -5.594 13.190 1.00 0.00 H new ATOM 0 HA ASP A 50 0.157 -6.152 16.075 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.595 -7.199 13.970 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.528 -5.761 14.333 1.00 0.00 H new ATOM 762 N ASN A 51 0.587 -3.731 16.467 1.00 0.00 N ATOM 763 CA ASN A 51 0.849 -2.329 16.746 1.00 0.00 C ATOM 764 C ASN A 51 2.264 -1.977 16.282 1.00 0.00 C ATOM 765 O ASN A 51 2.514 -0.860 15.833 1.00 0.00 O ATOM 766 CB ASN A 51 0.758 -2.040 18.246 1.00 0.00 C ATOM 767 CG ASN A 51 1.600 -3.033 19.048 1.00 0.00 C ATOM 768 OD1 ASN A 51 1.334 -4.223 19.087 1.00 0.00 O ATOM 769 ND2 ASN A 51 2.629 -2.480 19.684 1.00 0.00 N ATOM 0 H ASN A 51 0.175 -4.250 17.242 1.00 0.00 H new ATOM 0 HA ASN A 51 0.103 -1.735 16.218 1.00 0.00 H new ATOM 0 HB2 ASN A 51 1.099 -1.024 18.446 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -0.282 -2.096 18.568 1.00 0.00 H new ATOM 0 HD21 ASN A 51 3.252 -3.060 20.247 1.00 0.00 H new ATOM 0 HD22 ASN A 51 2.795 -1.476 19.609 1.00 0.00 H new ATOM 776 N ALA A 52 3.153 -2.952 16.407 1.00 0.00 N ATOM 777 CA ALA A 52 4.536 -2.759 16.006 1.00 0.00 C ATOM 778 C ALA A 52 4.577 -2.227 14.572 1.00 0.00 C ATOM 779 O ALA A 52 5.153 -1.171 14.314 1.00 0.00 O ATOM 780 CB ALA A 52 5.301 -4.075 16.161 1.00 0.00 C ATOM 0 H ALA A 52 2.942 -3.878 16.780 1.00 0.00 H new ATOM 0 HA ALA A 52 5.022 -2.022 16.646 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.339 -3.930 15.860 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.266 -4.395 17.202 1.00 0.00 H new ATOM 0 HB3 ALA A 52 4.844 -4.838 15.531 1.00 0.00 H new ATOM 786 N LEU A 53 3.959 -2.983 13.676 1.00 0.00 N ATOM 787 CA LEU A 53 3.918 -2.600 12.275 1.00 0.00 C ATOM 788 C LEU A 53 3.684 -1.092 12.169 1.00 0.00 C ATOM 789 O LEU A 53 4.486 -0.376 11.572 1.00 0.00 O ATOM 790 CB LEU A 53 2.883 -3.438 11.521 1.00 0.00 C ATOM 791 CG LEU A 53 3.250 -4.904 11.285 1.00 0.00 C ATOM 792 CD1 LEU A 53 1.999 -5.784 11.253 1.00 0.00 C ATOM 793 CD2 LEU A 53 4.094 -5.061 10.018 1.00 0.00 C ATOM 0 H LEU A 53 3.483 -3.859 13.893 1.00 0.00 H new ATOM 0 HA LEU A 53 4.874 -2.808 11.795 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.944 -3.404 12.074 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.700 -2.970 10.554 1.00 0.00 H new ATOM 0 HG LEU A 53 3.860 -5.242 12.122 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.288 -6.821 11.084 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.474 -5.704 12.205 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.343 -5.454 10.448 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.341 -6.113 9.874 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.530 -4.699 9.158 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.013 -4.483 10.119 1.00 0.00 H new ATOM 805 N ARG A 54 2.580 -0.654 12.757 1.00 0.00 N ATOM 806 CA ARG A 54 2.230 0.756 12.737 1.00 0.00 C ATOM 807 C ARG A 54 3.486 1.617 12.892 1.00 0.00 C ATOM 808 O ARG A 54 3.657 2.605 12.179 1.00 0.00 O ATOM 809 CB ARG A 54 1.246 1.096 13.857 1.00 0.00 C ATOM 810 CG ARG A 54 0.414 2.329 13.501 1.00 0.00 C ATOM 811 CD ARG A 54 -1.030 2.175 13.983 1.00 0.00 C ATOM 812 NE ARG A 54 -1.679 3.502 14.072 1.00 0.00 N ATOM 813 CZ ARG A 54 -1.498 4.360 15.085 1.00 0.00 C ATOM 814 NH1 ARG A 54 -0.687 4.036 16.101 1.00 0.00 N ATOM 815 NH2 ARG A 54 -2.128 5.543 15.082 1.00 0.00 N ATOM 0 H ARG A 54 1.916 -1.251 13.250 1.00 0.00 H new ATOM 0 HA ARG A 54 1.757 0.966 11.778 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.586 0.247 14.036 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.792 1.276 14.783 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.859 3.215 13.953 1.00 0.00 H new ATOM 0 HG3 ARG A 54 0.426 2.481 12.422 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.585 1.535 13.297 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.047 1.687 14.958 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.303 3.781 13.315 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.207 3.136 16.103 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.549 4.689 16.872 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -2.745 5.790 14.309 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -1.990 6.196 15.853 1.00 0.00 H new ATOM 829 N ASP A 55 4.331 1.211 13.827 1.00 0.00 N ATOM 830 CA ASP A 55 5.566 1.933 14.085 1.00 0.00 C ATOM 831 C ASP A 55 6.584 1.598 12.993 1.00 0.00 C ATOM 832 O ASP A 55 7.024 2.481 12.258 1.00 0.00 O ATOM 833 CB ASP A 55 6.168 1.530 15.432 1.00 0.00 C ATOM 834 CG ASP A 55 7.087 2.575 16.068 1.00 0.00 C ATOM 835 OD1 ASP A 55 6.687 3.760 16.065 1.00 0.00 O ATOM 836 OD2 ASP A 55 8.169 2.167 16.542 1.00 0.00 O ATOM 0 H ASP A 55 4.185 0.391 14.416 1.00 0.00 H new ATOM 0 HA ASP A 55 5.338 2.999 14.096 1.00 0.00 H new ATOM 0 HB2 ASP A 55 5.356 1.312 16.125 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.730 0.606 15.300 1.00 0.00 H new ATOM 841 N GLU A 56 6.929 0.321 12.921 1.00 0.00 N ATOM 842 CA GLU A 56 7.888 -0.141 11.931 1.00 0.00 C ATOM 843 C GLU A 56 7.671 0.587 10.603 1.00 0.00 C ATOM 844 O GLU A 56 8.629 1.026 9.969 1.00 0.00 O ATOM 845 CB GLU A 56 7.798 -1.657 11.747 1.00 0.00 C ATOM 846 CG GLU A 56 8.949 -2.365 12.463 1.00 0.00 C ATOM 847 CD GLU A 56 8.774 -3.885 12.413 1.00 0.00 C ATOM 848 OE1 GLU A 56 7.929 -4.384 13.187 1.00 0.00 O ATOM 849 OE2 GLU A 56 9.488 -4.512 11.602 1.00 0.00 O ATOM 0 H GLU A 56 6.562 -0.409 13.532 1.00 0.00 H new ATOM 0 HA GLU A 56 8.891 0.089 12.289 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.846 -2.018 12.136 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.821 -1.900 10.685 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.896 -2.089 11.999 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.995 -2.035 13.501 1.00 0.00 H new ATOM 856 N MET A 57 6.407 0.693 10.222 1.00 0.00 N ATOM 857 CA MET A 57 6.052 1.360 8.981 1.00 0.00 C ATOM 858 C MET A 57 6.473 2.830 9.009 1.00 0.00 C ATOM 859 O MET A 57 7.131 3.309 8.086 1.00 0.00 O ATOM 860 CB MET A 57 4.541 1.265 8.763 1.00 0.00 C ATOM 861 CG MET A 57 4.146 1.837 7.400 1.00 0.00 C ATOM 862 SD MET A 57 2.402 2.214 7.378 1.00 0.00 S ATOM 863 CE MET A 57 2.334 3.443 8.671 1.00 0.00 C ATOM 0 H MET A 57 5.615 0.328 10.751 1.00 0.00 H new ATOM 0 HA MET A 57 6.577 0.867 8.163 1.00 0.00 H new ATOM 0 HB2 MET A 57 4.225 0.224 8.830 1.00 0.00 H new ATOM 0 HB3 MET A 57 4.021 1.807 9.553 1.00 0.00 H new ATOM 0 HG2 MET A 57 4.724 2.738 7.193 1.00 0.00 H new ATOM 0 HG3 MET A 57 4.381 1.120 6.614 1.00 0.00 H new ATOM 0 HE1 MET A 57 1.551 4.166 8.445 1.00 0.00 H new ATOM 0 HE2 MET A 57 2.116 2.958 9.623 1.00 0.00 H new ATOM 0 HE3 MET A 57 3.293 3.956 8.736 1.00 0.00 H new ATOM 873 N ARG A 58 6.077 3.506 10.077 1.00 0.00 N ATOM 874 CA ARG A 58 6.405 4.912 10.238 1.00 0.00 C ATOM 875 C ARG A 58 7.908 5.131 10.058 1.00 0.00 C ATOM 876 O ARG A 58 8.326 5.980 9.273 1.00 0.00 O ATOM 877 CB ARG A 58 5.984 5.422 11.618 1.00 0.00 C ATOM 878 CG ARG A 58 4.535 5.913 11.603 1.00 0.00 C ATOM 879 CD ARG A 58 3.771 5.407 12.829 1.00 0.00 C ATOM 880 NE ARG A 58 2.390 5.037 12.447 1.00 0.00 N ATOM 881 CZ ARG A 58 1.384 5.913 12.327 1.00 0.00 C ATOM 882 NH1 ARG A 58 1.598 7.215 12.557 1.00 0.00 N ATOM 883 NH2 ARG A 58 0.163 5.486 11.977 1.00 0.00 N ATOM 0 H ARG A 58 5.531 3.106 10.840 1.00 0.00 H new ATOM 0 HA ARG A 58 5.860 5.468 9.476 1.00 0.00 H new ATOM 0 HB2 ARG A 58 6.094 4.625 12.353 1.00 0.00 H new ATOM 0 HB3 ARG A 58 6.643 6.233 11.926 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.517 7.003 11.583 1.00 0.00 H new ATOM 0 HG3 ARG A 58 4.040 5.569 10.695 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.283 4.544 13.256 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.750 6.178 13.599 1.00 0.00 H new ATOM 0 HE ARG A 58 2.192 4.053 12.264 1.00 0.00 H new ATOM 0 HH11 ARG A 58 2.527 7.540 12.824 1.00 0.00 H new ATOM 0 HH12 ARG A 58 0.832 7.882 12.465 1.00 0.00 H new ATOM 0 HH21 ARG A 58 0.000 4.494 11.802 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -0.604 6.153 11.885 1.00 0.00 H new ATOM 897 N THR A 59 8.680 4.349 10.799 1.00 0.00 N ATOM 898 CA THR A 59 10.128 4.446 10.730 1.00 0.00 C ATOM 899 C THR A 59 10.610 4.237 9.293 1.00 0.00 C ATOM 900 O THR A 59 11.334 5.069 8.750 1.00 0.00 O ATOM 901 CB THR A 59 10.717 3.440 11.721 1.00 0.00 C ATOM 902 OG1 THR A 59 10.594 4.085 12.986 1.00 0.00 O ATOM 903 CG2 THR A 59 12.225 3.255 11.542 1.00 0.00 C ATOM 0 H THR A 59 8.330 3.646 11.450 1.00 0.00 H new ATOM 0 HA THR A 59 10.471 5.441 11.012 1.00 0.00 H new ATOM 0 HB THR A 59 10.217 2.479 11.602 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.951 3.501 13.687 1.00 0.00 H new ATOM 0 HG21 THR A 59 12.592 2.531 12.270 1.00 0.00 H new ATOM 0 HG22 THR A 59 12.430 2.893 10.535 1.00 0.00 H new ATOM 0 HG23 THR A 59 12.729 4.209 11.694 1.00 0.00 H new ATOM 911 N LEU A 60 10.188 3.120 8.719 1.00 0.00 N ATOM 912 CA LEU A 60 10.567 2.791 7.355 1.00 0.00 C ATOM 913 C LEU A 60 10.325 4.004 6.456 1.00 0.00 C ATOM 914 O LEU A 60 11.240 4.476 5.783 1.00 0.00 O ATOM 915 CB LEU A 60 9.845 1.525 6.889 1.00 0.00 C ATOM 916 CG LEU A 60 10.247 0.226 7.590 1.00 0.00 C ATOM 917 CD1 LEU A 60 9.181 -0.854 7.396 1.00 0.00 C ATOM 918 CD2 LEU A 60 11.628 -0.241 7.127 1.00 0.00 C ATOM 0 H LEU A 60 9.588 2.432 9.173 1.00 0.00 H new ATOM 0 HA LEU A 60 11.631 2.561 7.300 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.773 1.671 7.025 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.017 1.405 5.819 1.00 0.00 H new ATOM 0 HG LEU A 60 10.315 0.421 8.660 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.491 -1.767 7.904 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.235 -0.510 7.813 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.056 -1.055 6.332 1.00 0.00 H new ATOM 0 HD21 LEU A 60 11.890 -1.166 7.640 1.00 0.00 H new ATOM 0 HD22 LEU A 60 11.611 -0.415 6.051 1.00 0.00 H new ATOM 0 HD23 LEU A 60 12.368 0.525 7.359 1.00 0.00 H new ATOM 930 N ALA A 61 9.086 4.475 6.473 1.00 0.00 N ATOM 931 CA ALA A 61 8.712 5.625 5.667 1.00 0.00 C ATOM 932 C ALA A 61 9.651 6.791 5.982 1.00 0.00 C ATOM 933 O ALA A 61 10.319 7.313 5.090 1.00 0.00 O ATOM 934 CB ALA A 61 7.244 5.973 5.925 1.00 0.00 C ATOM 0 H ALA A 61 8.329 4.081 7.032 1.00 0.00 H new ATOM 0 HA ALA A 61 8.813 5.399 4.606 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.963 6.836 5.321 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.616 5.123 5.658 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.106 6.209 6.980 1.00 0.00 H new ATOM 940 N GLY A 62 9.673 7.166 7.253 1.00 0.00 N ATOM 941 CA GLY A 62 10.519 8.260 7.696 1.00 0.00 C ATOM 942 C GLY A 62 9.688 9.365 8.350 1.00 0.00 C ATOM 943 O GLY A 62 9.924 10.549 8.111 1.00 0.00 O ATOM 0 H GLY A 62 9.118 6.731 7.990 1.00 0.00 H new ATOM 0 HA2 GLY A 62 11.259 7.888 8.405 1.00 0.00 H new ATOM 0 HA3 GLY A 62 11.068 8.667 6.847 1.00 0.00 H new ATOM 947 N ASN A 63 8.733 8.940 9.164 1.00 0.00 N ATOM 948 CA ASN A 63 7.866 9.880 9.855 1.00 0.00 C ATOM 949 C ASN A 63 7.002 9.122 10.865 1.00 0.00 C ATOM 950 O ASN A 63 6.410 8.096 10.535 1.00 0.00 O ATOM 951 CB ASN A 63 6.932 10.591 8.874 1.00 0.00 C ATOM 952 CG ASN A 63 6.529 11.970 9.401 1.00 0.00 C ATOM 953 OD1 ASN A 63 7.338 12.727 9.912 1.00 0.00 O ATOM 954 ND2 ASN A 63 5.239 12.251 9.250 1.00 0.00 N ATOM 0 H ASN A 63 8.540 7.958 9.361 1.00 0.00 H new ATOM 0 HA ASN A 63 8.496 10.617 10.352 1.00 0.00 H new ATOM 0 HB2 ASN A 63 7.426 10.697 7.908 1.00 0.00 H new ATOM 0 HB3 ASN A 63 6.041 9.985 8.711 1.00 0.00 H new ATOM 0 HD21 ASN A 63 4.871 13.147 9.571 1.00 0.00 H new ATOM 0 HD22 ASN A 63 4.617 11.571 8.813 1.00 0.00 H new ATOM 961 N PRO A 64 6.958 9.670 12.109 1.00 0.00 N ATOM 962 CA PRO A 64 6.177 9.057 13.170 1.00 0.00 C ATOM 963 C PRO A 64 4.682 9.310 12.967 1.00 0.00 C ATOM 964 O PRO A 64 3.852 8.486 13.346 1.00 0.00 O ATOM 965 CB PRO A 64 6.713 9.665 14.455 1.00 0.00 C ATOM 966 CG PRO A 64 7.448 10.930 14.043 1.00 0.00 C ATOM 967 CD PRO A 64 7.647 10.883 12.537 1.00 0.00 C ATOM 0 HA PRO A 64 6.273 7.971 13.189 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.902 9.892 15.147 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.383 8.973 14.965 1.00 0.00 H new ATOM 0 HG2 PRO A 64 6.875 11.813 14.325 1.00 0.00 H new ATOM 0 HG3 PRO A 64 8.409 10.997 14.553 1.00 0.00 H new ATOM 0 HD2 PRO A 64 7.229 11.767 12.055 1.00 0.00 H new ATOM 0 HD3 PRO A 64 8.705 10.849 12.278 1.00 0.00 H new ATOM 975 N LYS A 65 4.384 10.455 12.369 1.00 0.00 N ATOM 976 CA LYS A 65 3.004 10.827 12.111 1.00 0.00 C ATOM 977 C LYS A 65 2.618 10.390 10.697 1.00 0.00 C ATOM 978 O LYS A 65 1.818 11.050 10.036 1.00 0.00 O ATOM 979 CB LYS A 65 2.794 12.320 12.372 1.00 0.00 C ATOM 980 CG LYS A 65 3.037 12.659 13.844 1.00 0.00 C ATOM 981 CD LYS A 65 1.724 12.660 14.630 1.00 0.00 C ATOM 982 CE LYS A 65 1.767 13.680 15.769 1.00 0.00 C ATOM 983 NZ LYS A 65 0.398 14.004 16.228 1.00 0.00 N ATOM 0 H LYS A 65 5.075 11.137 12.056 1.00 0.00 H new ATOM 0 HA LYS A 65 2.335 10.309 12.799 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.470 12.901 11.745 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.779 12.602 12.093 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.725 11.934 14.279 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.513 13.637 13.922 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.896 12.892 13.961 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.538 11.665 15.035 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.350 13.282 16.599 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.268 14.588 15.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.446 14.698 17.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -0.148 14.404 15.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.068 13.139 16.568 1.00 0.00 H new ATOM 997 N ALA A 66 3.205 9.280 10.274 1.00 0.00 N ATOM 998 CA ALA A 66 2.932 8.747 8.950 1.00 0.00 C ATOM 999 C ALA A 66 1.649 7.915 8.994 1.00 0.00 C ATOM 1000 O ALA A 66 1.262 7.420 10.052 1.00 0.00 O ATOM 1001 CB ALA A 66 4.136 7.935 8.469 1.00 0.00 C ATOM 0 H ALA A 66 3.869 8.735 10.825 1.00 0.00 H new ATOM 0 HA ALA A 66 2.776 9.555 8.236 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.932 7.535 7.476 1.00 0.00 H new ATOM 0 HB2 ALA A 66 5.015 8.578 8.427 1.00 0.00 H new ATOM 0 HB3 ALA A 66 4.320 7.113 9.161 1.00 0.00 H new ATOM 1007 N THR A 67 1.024 7.786 7.833 1.00 0.00 N ATOM 1008 CA THR A 67 -0.207 7.023 7.726 1.00 0.00 C ATOM 1009 C THR A 67 -0.238 6.242 6.410 1.00 0.00 C ATOM 1010 O THR A 67 0.461 6.591 5.460 1.00 0.00 O ATOM 1011 CB THR A 67 -1.380 7.993 7.884 1.00 0.00 C ATOM 1012 OG1 THR A 67 -1.077 9.054 6.983 1.00 0.00 O ATOM 1013 CG2 THR A 67 -1.402 8.666 9.258 1.00 0.00 C ATOM 0 H THR A 67 1.348 8.198 6.958 1.00 0.00 H new ATOM 0 HA THR A 67 -0.277 6.274 8.514 1.00 0.00 H new ATOM 0 HB THR A 67 -2.317 7.458 7.726 1.00 0.00 H new ATOM 0 HG1 THR A 67 -1.788 9.728 7.020 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.254 9.344 9.318 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.488 7.906 10.034 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.480 9.229 9.402 1.00 0.00 H new ATOM 1021 N PRO A 68 -1.077 5.172 6.397 1.00 0.00 N ATOM 1022 CA PRO A 68 -1.208 4.338 5.214 1.00 0.00 C ATOM 1023 C PRO A 68 -2.033 5.043 4.136 1.00 0.00 C ATOM 1024 O PRO A 68 -2.681 6.053 4.406 1.00 0.00 O ATOM 1025 CB PRO A 68 -1.850 3.052 5.708 1.00 0.00 C ATOM 1026 CG PRO A 68 -2.477 3.388 7.051 1.00 0.00 C ATOM 1027 CD PRO A 68 -1.920 4.728 7.504 1.00 0.00 C ATOM 0 HA PRO A 68 -0.250 4.131 4.737 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -2.602 2.696 5.004 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.109 2.260 5.810 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -3.562 3.436 6.964 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -2.250 2.613 7.783 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -2.719 5.442 7.704 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.345 4.627 8.424 1.00 0.00 H new ATOM 1035 N PRO A 69 -1.983 4.466 2.905 1.00 0.00 N ATOM 1036 CA PRO A 69 -1.192 3.270 2.671 1.00 0.00 C ATOM 1037 C PRO A 69 0.301 3.602 2.615 1.00 0.00 C ATOM 1038 O PRO A 69 0.696 4.742 2.857 1.00 0.00 O ATOM 1039 CB PRO A 69 -1.722 2.697 1.367 1.00 0.00 C ATOM 1040 CG PRO A 69 -2.465 3.834 0.683 1.00 0.00 C ATOM 1041 CD PRO A 69 -2.675 4.936 1.708 1.00 0.00 C ATOM 0 HA PRO A 69 -1.282 2.542 3.477 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -0.908 2.331 0.742 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -2.386 1.853 1.553 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -1.893 4.207 -0.167 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -3.422 3.486 0.295 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -2.265 5.884 1.360 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -3.735 5.100 1.902 1.00 0.00 H new ATOM 1049 N GLN A 70 1.089 2.587 2.293 1.00 0.00 N ATOM 1050 CA GLN A 70 2.529 2.757 2.202 1.00 0.00 C ATOM 1051 C GLN A 70 3.138 1.664 1.321 1.00 0.00 C ATOM 1052 O GLN A 70 3.113 0.487 1.680 1.00 0.00 O ATOM 1053 CB GLN A 70 3.169 2.761 3.591 1.00 0.00 C ATOM 1054 CG GLN A 70 4.066 3.987 3.778 1.00 0.00 C ATOM 1055 CD GLN A 70 3.275 5.162 4.355 1.00 0.00 C ATOM 1056 OE1 GLN A 70 2.530 5.032 5.312 1.00 0.00 O ATOM 1057 NE2 GLN A 70 3.479 6.314 3.722 1.00 0.00 N ATOM 0 H GLN A 70 0.757 1.644 2.092 1.00 0.00 H new ATOM 0 HA GLN A 70 2.733 3.724 1.741 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.391 2.756 4.354 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.756 1.853 3.728 1.00 0.00 H new ATOM 0 HG2 GLN A 70 4.893 3.739 4.443 1.00 0.00 H new ATOM 0 HG3 GLN A 70 4.502 4.273 2.821 1.00 0.00 H new ATOM 0 HE21 GLN A 70 4.117 6.353 2.927 1.00 0.00 H new ATOM 0 HE22 GLN A 70 2.998 7.158 4.032 1.00 0.00 H new ATOM 1066 N ILE A 71 3.670 2.091 0.186 1.00 0.00 N ATOM 1067 CA ILE A 71 4.284 1.164 -0.749 1.00 0.00 C ATOM 1068 C ILE A 71 5.752 0.960 -0.369 1.00 0.00 C ATOM 1069 O ILE A 71 6.475 1.927 -0.132 1.00 0.00 O ATOM 1070 CB ILE A 71 4.082 1.641 -2.188 1.00 0.00 C ATOM 1071 CG1 ILE A 71 2.594 1.756 -2.524 1.00 0.00 C ATOM 1072 CG2 ILE A 71 4.824 0.737 -3.175 1.00 0.00 C ATOM 1073 CD1 ILE A 71 2.190 3.216 -2.734 1.00 0.00 C ATOM 0 H ILE A 71 3.689 3.068 -0.108 1.00 0.00 H new ATOM 0 HA ILE A 71 3.801 0.189 -0.691 1.00 0.00 H new ATOM 0 HB ILE A 71 4.511 2.639 -2.280 1.00 0.00 H new ATOM 0 HG12 ILE A 71 2.376 1.182 -3.424 1.00 0.00 H new ATOM 0 HG13 ILE A 71 2.001 1.323 -1.718 1.00 0.00 H new ATOM 0 HG21 ILE A 71 4.664 1.098 -4.191 1.00 0.00 H new ATOM 0 HG22 ILE A 71 5.890 0.750 -2.949 1.00 0.00 H new ATOM 0 HG23 ILE A 71 4.447 -0.282 -3.089 1.00 0.00 H new ATOM 0 HD11 ILE A 71 1.128 3.269 -2.972 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.387 3.783 -1.824 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.767 3.639 -3.557 1.00 0.00 H new ATOM 1085 N VAL A 72 6.149 -0.303 -0.322 1.00 0.00 N ATOM 1086 CA VAL A 72 7.518 -0.645 0.025 1.00 0.00 C ATOM 1087 C VAL A 72 8.037 -1.704 -0.950 1.00 0.00 C ATOM 1088 O VAL A 72 7.278 -2.558 -1.406 1.00 0.00 O ATOM 1089 CB VAL A 72 7.591 -1.090 1.487 1.00 0.00 C ATOM 1090 CG1 VAL A 72 9.041 -1.139 1.973 1.00 0.00 C ATOM 1091 CG2 VAL A 72 6.743 -0.183 2.379 1.00 0.00 C ATOM 0 H VAL A 72 5.546 -1.102 -0.518 1.00 0.00 H new ATOM 0 HA VAL A 72 8.166 0.227 -0.068 1.00 0.00 H new ATOM 0 HB VAL A 72 7.182 -2.098 1.552 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.065 -1.458 3.015 1.00 0.00 H new ATOM 0 HG12 VAL A 72 9.605 -1.845 1.364 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.487 -0.148 1.887 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.813 -0.521 3.413 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.108 0.842 2.307 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.703 -0.222 2.054 1.00 0.00 H new ATOM 1101 N ASN A 73 9.327 -1.615 -1.239 1.00 0.00 N ATOM 1102 CA ASN A 73 9.956 -2.555 -2.151 1.00 0.00 C ATOM 1103 C ASN A 73 11.097 -3.273 -1.429 1.00 0.00 C ATOM 1104 O ASN A 73 12.158 -2.692 -1.205 1.00 0.00 O ATOM 1105 CB ASN A 73 10.545 -1.834 -3.366 1.00 0.00 C ATOM 1106 CG ASN A 73 10.761 -2.805 -4.528 1.00 0.00 C ATOM 1107 OD1 ASN A 73 11.533 -3.747 -4.448 1.00 0.00 O ATOM 1108 ND2 ASN A 73 10.040 -2.524 -5.609 1.00 0.00 N ATOM 0 H ASN A 73 9.954 -0.906 -0.858 1.00 0.00 H new ATOM 0 HA ASN A 73 9.196 -3.261 -2.484 1.00 0.00 H new ATOM 0 HB2 ASN A 73 9.876 -1.032 -3.677 1.00 0.00 H new ATOM 0 HB3 ASN A 73 11.493 -1.370 -3.094 1.00 0.00 H new ATOM 0 HD21 ASN A 73 10.114 -3.113 -6.439 1.00 0.00 H new ATOM 0 HD22 ASN A 73 9.413 -1.720 -5.609 1.00 0.00 H new ATOM 1115 N GLY A 74 10.840 -4.526 -1.083 1.00 0.00 N ATOM 1116 CA GLY A 74 11.833 -5.330 -0.390 1.00 0.00 C ATOM 1117 C GLY A 74 12.295 -4.642 0.896 1.00 0.00 C ATOM 1118 O GLY A 74 11.742 -4.886 1.967 1.00 0.00 O ATOM 0 H GLY A 74 9.959 -5.004 -1.270 1.00 0.00 H new ATOM 0 HA2 GLY A 74 11.414 -6.308 -0.153 1.00 0.00 H new ATOM 0 HA3 GLY A 74 12.689 -5.500 -1.043 1.00 0.00 H new ATOM 1122 N ASN A 75 13.304 -3.796 0.747 1.00 0.00 N ATOM 1123 CA ASN A 75 13.846 -3.072 1.884 1.00 0.00 C ATOM 1124 C ASN A 75 13.942 -1.585 1.536 1.00 0.00 C ATOM 1125 O ASN A 75 14.659 -0.834 2.196 1.00 0.00 O ATOM 1126 CB ASN A 75 15.251 -3.567 2.233 1.00 0.00 C ATOM 1127 CG ASN A 75 15.353 -3.926 3.717 1.00 0.00 C ATOM 1128 OD1 ASN A 75 14.653 -3.391 4.561 1.00 0.00 O ATOM 1129 ND2 ASN A 75 16.262 -4.859 3.986 1.00 0.00 N ATOM 0 H ASN A 75 13.760 -3.596 -0.143 1.00 0.00 H new ATOM 0 HA ASN A 75 13.184 -3.235 2.735 1.00 0.00 H new ATOM 0 HB2 ASN A 75 15.494 -4.439 1.627 1.00 0.00 H new ATOM 0 HB3 ASN A 75 15.983 -2.796 1.990 1.00 0.00 H new ATOM 0 HD21 ASN A 75 16.407 -5.168 4.947 1.00 0.00 H new ATOM 0 HD22 ASN A 75 16.814 -5.266 3.231 1.00 0.00 H new ATOM 1136 N HIS A 76 13.208 -1.203 0.501 1.00 0.00 N ATOM 1137 CA HIS A 76 13.200 0.181 0.059 1.00 0.00 C ATOM 1138 C HIS A 76 11.832 0.803 0.341 1.00 0.00 C ATOM 1139 O HIS A 76 10.835 0.092 0.459 1.00 0.00 O ATOM 1140 CB HIS A 76 13.605 0.282 -1.413 1.00 0.00 C ATOM 1141 CG HIS A 76 14.951 -0.329 -1.724 1.00 0.00 C ATOM 1142 ND1 HIS A 76 16.146 0.253 -1.339 1.00 0.00 N ATOM 1143 CD2 HIS A 76 15.277 -1.477 -2.385 1.00 0.00 C ATOM 1144 CE1 HIS A 76 17.140 -0.518 -1.756 1.00 0.00 C ATOM 1145 NE2 HIS A 76 16.599 -1.589 -2.404 1.00 0.00 N ATOM 0 H HIS A 76 12.615 -1.828 -0.044 1.00 0.00 H new ATOM 0 HA HIS A 76 13.941 0.750 0.621 1.00 0.00 H new ATOM 0 HB2 HIS A 76 12.846 -0.208 -2.022 1.00 0.00 H new ATOM 0 HB3 HIS A 76 13.618 1.332 -1.704 1.00 0.00 H new ATOM 0 HD2 HIS A 76 14.578 -2.176 -2.819 1.00 0.00 H new ATOM 0 HE1 HIS A 76 18.193 -0.331 -1.609 1.00 0.00 H new ATOM 0 HE2 HIS A 76 17.124 -2.351 -2.833 1.00 0.00 H new ATOM 1153 N TYR A 77 11.827 2.124 0.442 1.00 0.00 N ATOM 1154 CA TYR A 77 10.597 2.850 0.709 1.00 0.00 C ATOM 1155 C TYR A 77 10.168 3.668 -0.511 1.00 0.00 C ATOM 1156 O TYR A 77 10.868 4.593 -0.921 1.00 0.00 O ATOM 1157 CB TYR A 77 10.912 3.804 1.862 1.00 0.00 C ATOM 1158 CG TYR A 77 9.795 4.805 2.165 1.00 0.00 C ATOM 1159 CD1 TYR A 77 8.514 4.354 2.414 1.00 0.00 C ATOM 1160 CD2 TYR A 77 10.067 6.157 2.190 1.00 0.00 C ATOM 1161 CE1 TYR A 77 7.463 5.295 2.700 1.00 0.00 C ATOM 1162 CE2 TYR A 77 9.016 7.099 2.475 1.00 0.00 C ATOM 1163 CZ TYR A 77 7.765 6.621 2.716 1.00 0.00 C ATOM 1164 OH TYR A 77 6.772 7.510 2.986 1.00 0.00 O ATOM 0 H TYR A 77 12.656 2.711 0.344 1.00 0.00 H new ATOM 0 HA TYR A 77 9.788 2.160 0.947 1.00 0.00 H new ATOM 0 HB2 TYR A 77 11.115 3.219 2.759 1.00 0.00 H new ATOM 0 HB3 TYR A 77 11.824 4.353 1.627 1.00 0.00 H new ATOM 0 HD1 TYR A 77 8.301 3.295 2.394 1.00 0.00 H new ATOM 0 HD2 TYR A 77 11.069 6.509 1.996 1.00 0.00 H new ATOM 0 HE1 TYR A 77 6.457 4.956 2.898 1.00 0.00 H new ATOM 0 HE2 TYR A 77 9.216 8.160 2.497 1.00 0.00 H new ATOM 0 HH TYR A 77 7.134 8.421 2.965 1.00 0.00 H new ATOM 1174 N CYS A 78 9.019 3.297 -1.058 1.00 0.00 N ATOM 1175 CA CYS A 78 8.488 3.985 -2.222 1.00 0.00 C ATOM 1176 C CYS A 78 7.966 5.352 -1.777 1.00 0.00 C ATOM 1177 O CYS A 78 8.532 6.383 -2.134 1.00 0.00 O ATOM 1178 CB CYS A 78 7.405 3.160 -2.921 1.00 0.00 C ATOM 1179 SG CYS A 78 7.999 1.451 -3.195 1.00 0.00 S ATOM 0 H CYS A 78 8.441 2.529 -0.716 1.00 0.00 H new ATOM 0 HA CYS A 78 9.280 4.123 -2.958 1.00 0.00 H new ATOM 0 HB2 CYS A 78 6.499 3.146 -2.315 1.00 0.00 H new ATOM 0 HB3 CYS A 78 7.144 3.620 -3.874 1.00 0.00 H new ATOM 0 HG CYS A 78 7.797 1.115 -4.434 1.00 0.00 H new ATOM 1185 N GLY A 79 6.891 5.316 -1.002 1.00 0.00 N ATOM 1186 CA GLY A 79 6.287 6.539 -0.503 1.00 0.00 C ATOM 1187 C GLY A 79 4.836 6.300 -0.078 1.00 0.00 C ATOM 1188 O GLY A 79 4.421 5.157 0.111 1.00 0.00 O ATOM 0 H GLY A 79 6.423 4.459 -0.708 1.00 0.00 H new ATOM 0 HA2 GLY A 79 6.861 6.913 0.345 1.00 0.00 H new ATOM 0 HA3 GLY A 79 6.322 7.307 -1.275 1.00 0.00 H new ATOM 1192 N ASP A 80 4.105 7.396 0.060 1.00 0.00 N ATOM 1193 CA ASP A 80 2.710 7.320 0.460 1.00 0.00 C ATOM 1194 C ASP A 80 1.826 7.330 -0.789 1.00 0.00 C ATOM 1195 O ASP A 80 2.316 7.526 -1.900 1.00 0.00 O ATOM 1196 CB ASP A 80 2.319 8.519 1.326 1.00 0.00 C ATOM 1197 CG ASP A 80 2.872 9.865 0.854 1.00 0.00 C ATOM 1198 OD1 ASP A 80 3.167 9.965 -0.356 1.00 0.00 O ATOM 1199 OD2 ASP A 80 2.988 10.764 1.715 1.00 0.00 O ATOM 0 H ASP A 80 4.452 8.342 -0.098 1.00 0.00 H new ATOM 0 HA ASP A 80 2.572 6.403 1.032 1.00 0.00 H new ATOM 0 HB2 ASP A 80 1.231 8.583 1.362 1.00 0.00 H new ATOM 0 HB3 ASP A 80 2.662 8.339 2.345 1.00 0.00 H new ATOM 1204 N TYR A 81 0.538 7.117 -0.564 1.00 0.00 N ATOM 1205 CA TYR A 81 -0.420 7.099 -1.656 1.00 0.00 C ATOM 1206 C TYR A 81 -0.258 8.332 -2.548 1.00 0.00 C ATOM 1207 O TYR A 81 -0.287 8.225 -3.773 1.00 0.00 O ATOM 1208 CB TYR A 81 -1.804 7.134 -1.005 1.00 0.00 C ATOM 1209 CG TYR A 81 -2.929 7.550 -1.955 1.00 0.00 C ATOM 1210 CD1 TYR A 81 -3.072 8.874 -2.316 1.00 0.00 C ATOM 1211 CD2 TYR A 81 -3.799 6.601 -2.451 1.00 0.00 C ATOM 1212 CE1 TYR A 81 -4.131 9.266 -3.211 1.00 0.00 C ATOM 1213 CE2 TYR A 81 -4.858 6.993 -3.345 1.00 0.00 C ATOM 1214 CZ TYR A 81 -4.971 8.306 -3.681 1.00 0.00 C ATOM 1215 OH TYR A 81 -5.971 8.676 -4.526 1.00 0.00 O ATOM 0 H TYR A 81 0.135 6.955 0.359 1.00 0.00 H new ATOM 0 HA TYR A 81 -0.274 6.217 -2.279 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -2.029 6.147 -0.602 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -1.780 7.825 -0.162 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.390 9.616 -1.928 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -3.686 5.565 -2.169 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -4.255 10.299 -3.502 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -5.547 6.261 -3.740 1.00 0.00 H new ATOM 0 HH TYR A 81 -6.754 8.107 -4.375 1.00 0.00 H new ATOM 1225 N GLU A 82 -0.091 9.475 -1.898 1.00 0.00 N ATOM 1226 CA GLU A 82 0.076 10.727 -2.617 1.00 0.00 C ATOM 1227 C GLU A 82 1.219 10.611 -3.626 1.00 0.00 C ATOM 1228 O GLU A 82 1.045 10.917 -4.805 1.00 0.00 O ATOM 1229 CB GLU A 82 0.315 11.887 -1.648 1.00 0.00 C ATOM 1230 CG GLU A 82 -1.009 12.429 -1.105 1.00 0.00 C ATOM 1231 CD GLU A 82 -1.269 13.849 -1.614 1.00 0.00 C ATOM 1232 OE1 GLU A 82 -1.162 14.040 -2.844 1.00 0.00 O ATOM 1233 OE2 GLU A 82 -1.570 14.711 -0.760 1.00 0.00 O ATOM 0 H GLU A 82 -0.068 9.560 -0.882 1.00 0.00 H new ATOM 0 HA GLU A 82 -0.844 10.936 -3.163 1.00 0.00 H new ATOM 0 HB2 GLU A 82 0.941 11.552 -0.821 1.00 0.00 H new ATOM 0 HB3 GLU A 82 0.857 12.684 -2.156 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.826 11.775 -1.409 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -0.987 12.427 -0.015 1.00 0.00 H new ATOM 1240 N LEU A 83 2.364 10.168 -3.128 1.00 0.00 N ATOM 1241 CA LEU A 83 3.536 10.008 -3.972 1.00 0.00 C ATOM 1242 C LEU A 83 3.163 9.180 -5.203 1.00 0.00 C ATOM 1243 O LEU A 83 3.451 9.575 -6.332 1.00 0.00 O ATOM 1244 CB LEU A 83 4.700 9.426 -3.167 1.00 0.00 C ATOM 1245 CG LEU A 83 5.748 10.428 -2.682 1.00 0.00 C ATOM 1246 CD1 LEU A 83 5.094 11.745 -2.259 1.00 0.00 C ATOM 1247 CD2 LEU A 83 6.604 9.829 -1.564 1.00 0.00 C ATOM 0 H LEU A 83 2.505 9.915 -2.150 1.00 0.00 H new ATOM 0 HA LEU A 83 3.882 10.977 -4.333 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.292 8.908 -2.299 1.00 0.00 H new ATOM 0 HB3 LEU A 83 5.200 8.676 -3.780 1.00 0.00 H new ATOM 0 HG LEU A 83 6.415 10.652 -3.514 1.00 0.00 H new ATOM 0 HD11 LEU A 83 5.862 12.440 -1.918 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.564 12.177 -3.108 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.389 11.558 -1.449 1.00 0.00 H new ATOM 0 HD21 LEU A 83 7.341 10.562 -1.237 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.966 9.557 -0.723 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.116 8.940 -1.934 1.00 0.00 H new ATOM 1259 N PHE A 84 2.529 8.046 -4.944 1.00 0.00 N ATOM 1260 CA PHE A 84 2.114 7.159 -6.017 1.00 0.00 C ATOM 1261 C PHE A 84 1.377 7.931 -7.113 1.00 0.00 C ATOM 1262 O PHE A 84 1.804 7.939 -8.266 1.00 0.00 O ATOM 1263 CB PHE A 84 1.160 6.132 -5.404 1.00 0.00 C ATOM 1264 CG PHE A 84 0.918 4.904 -6.285 1.00 0.00 C ATOM 1265 CD1 PHE A 84 1.830 3.896 -6.311 1.00 0.00 C ATOM 1266 CD2 PHE A 84 -0.209 4.821 -7.041 1.00 0.00 C ATOM 1267 CE1 PHE A 84 1.606 2.756 -7.128 1.00 0.00 C ATOM 1268 CE2 PHE A 84 -0.433 3.682 -7.859 1.00 0.00 C ATOM 1269 CZ PHE A 84 0.479 2.673 -7.885 1.00 0.00 C ATOM 0 H PHE A 84 2.293 7.721 -4.006 1.00 0.00 H new ATOM 0 HA PHE A 84 2.987 6.686 -6.467 1.00 0.00 H new ATOM 0 HB2 PHE A 84 1.562 5.805 -4.445 1.00 0.00 H new ATOM 0 HB3 PHE A 84 0.204 6.615 -5.201 1.00 0.00 H new ATOM 0 HD1 PHE A 84 2.725 3.962 -5.710 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.934 5.621 -7.019 1.00 0.00 H new ATOM 0 HE1 PHE A 84 2.330 1.955 -7.148 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.328 3.617 -8.461 1.00 0.00 H new ATOM 0 HZ PHE A 84 0.308 1.806 -8.506 1.00 0.00 H new ATOM 1279 N VAL A 85 0.283 8.563 -6.714 1.00 0.00 N ATOM 1280 CA VAL A 85 -0.518 9.336 -7.648 1.00 0.00 C ATOM 1281 C VAL A 85 0.396 10.270 -8.444 1.00 0.00 C ATOM 1282 O VAL A 85 0.310 10.332 -9.670 1.00 0.00 O ATOM 1283 CB VAL A 85 -1.625 10.080 -6.898 1.00 0.00 C ATOM 1284 CG1 VAL A 85 -1.317 11.576 -6.808 1.00 0.00 C ATOM 1285 CG2 VAL A 85 -2.987 9.838 -7.551 1.00 0.00 C ATOM 0 H VAL A 85 -0.068 8.556 -5.756 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.013 8.678 -8.362 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.666 9.686 -5.883 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.120 12.081 -6.270 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.376 11.723 -6.277 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.235 11.992 -7.812 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -3.756 10.378 -6.999 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.964 10.192 -8.582 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.212 8.772 -7.538 1.00 0.00 H new ATOM 1295 N GLU A 86 1.250 10.973 -7.715 1.00 0.00 N ATOM 1296 CA GLU A 86 2.179 11.901 -8.338 1.00 0.00 C ATOM 1297 C GLU A 86 2.919 11.218 -9.491 1.00 0.00 C ATOM 1298 O GLU A 86 2.902 11.706 -10.619 1.00 0.00 O ATOM 1299 CB GLU A 86 3.164 12.463 -7.311 1.00 0.00 C ATOM 1300 CG GLU A 86 2.739 13.859 -6.851 1.00 0.00 C ATOM 1301 CD GLU A 86 3.944 14.798 -6.765 1.00 0.00 C ATOM 1302 OE1 GLU A 86 4.895 14.436 -6.039 1.00 0.00 O ATOM 1303 OE2 GLU A 86 3.887 15.857 -7.428 1.00 0.00 O ATOM 0 H GLU A 86 1.318 10.919 -6.699 1.00 0.00 H new ATOM 0 HA GLU A 86 1.610 12.738 -8.743 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.220 11.794 -6.452 1.00 0.00 H new ATOM 0 HB3 GLU A 86 4.162 12.508 -7.746 1.00 0.00 H new ATOM 0 HG2 GLU A 86 2.004 14.267 -7.545 1.00 0.00 H new ATOM 0 HG3 GLU A 86 2.254 13.793 -5.877 1.00 0.00 H new ATOM 1310 N ALA A 87 3.549 10.099 -9.166 1.00 0.00 N ATOM 1311 CA ALA A 87 4.293 9.344 -10.160 1.00 0.00 C ATOM 1312 C ALA A 87 3.339 8.883 -11.264 1.00 0.00 C ATOM 1313 O ALA A 87 3.595 9.110 -12.445 1.00 0.00 O ATOM 1314 CB ALA A 87 5.009 8.174 -9.482 1.00 0.00 C ATOM 0 H ALA A 87 3.560 9.697 -8.229 1.00 0.00 H new ATOM 0 HA ALA A 87 5.056 9.969 -10.624 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.567 7.608 -10.228 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.696 8.556 -8.727 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.274 7.524 -9.007 1.00 0.00 H new ATOM 1320 N VAL A 88 2.258 8.246 -10.839 1.00 0.00 N ATOM 1321 CA VAL A 88 1.264 7.751 -11.777 1.00 0.00 C ATOM 1322 C VAL A 88 0.870 8.876 -12.736 1.00 0.00 C ATOM 1323 O VAL A 88 0.747 8.655 -13.940 1.00 0.00 O ATOM 1324 CB VAL A 88 0.071 7.169 -11.016 1.00 0.00 C ATOM 1325 CG1 VAL A 88 -1.115 6.934 -11.953 1.00 0.00 C ATOM 1326 CG2 VAL A 88 0.461 5.879 -10.290 1.00 0.00 C ATOM 0 H VAL A 88 2.048 8.061 -9.858 1.00 0.00 H new ATOM 0 HA VAL A 88 1.676 6.940 -12.378 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.235 7.897 -10.265 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -1.949 6.520 -11.387 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.416 7.880 -12.403 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.826 6.234 -12.737 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -0.405 5.486 -9.757 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.805 5.143 -11.016 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.260 6.089 -9.579 1.00 0.00 H new ATOM 1336 N GLU A 89 0.684 10.058 -12.166 1.00 0.00 N ATOM 1337 CA GLU A 89 0.306 11.217 -12.956 1.00 0.00 C ATOM 1338 C GLU A 89 1.465 11.645 -13.859 1.00 0.00 C ATOM 1339 O GLU A 89 1.259 11.976 -15.025 1.00 0.00 O ATOM 1340 CB GLU A 89 -0.143 12.371 -12.056 1.00 0.00 C ATOM 1341 CG GLU A 89 -1.405 11.997 -11.276 1.00 0.00 C ATOM 1342 CD GLU A 89 -2.536 12.989 -11.555 1.00 0.00 C ATOM 1343 OE1 GLU A 89 -2.941 13.070 -12.735 1.00 0.00 O ATOM 1344 OE2 GLU A 89 -2.970 13.643 -10.583 1.00 0.00 O ATOM 0 H GLU A 89 0.788 10.237 -11.167 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.539 10.942 -13.588 1.00 0.00 H new ATOM 0 HB2 GLU A 89 0.656 12.627 -11.361 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -0.334 13.257 -12.662 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -1.722 10.991 -11.551 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -1.186 11.981 -10.208 1.00 0.00 H new ATOM 1351 N GLN A 90 2.659 11.625 -13.284 1.00 0.00 N ATOM 1352 CA GLN A 90 3.851 12.007 -14.022 1.00 0.00 C ATOM 1353 C GLN A 90 4.287 10.872 -14.950 1.00 0.00 C ATOM 1354 O GLN A 90 5.293 10.988 -15.648 1.00 0.00 O ATOM 1355 CB GLN A 90 4.982 12.403 -13.070 1.00 0.00 C ATOM 1356 CG GLN A 90 4.702 13.760 -12.421 1.00 0.00 C ATOM 1357 CD GLN A 90 4.694 14.877 -13.467 1.00 0.00 C ATOM 1358 OE1 GLN A 90 5.510 14.921 -14.372 1.00 0.00 O ATOM 1359 NE2 GLN A 90 3.728 15.774 -13.292 1.00 0.00 N ATOM 0 H GLN A 90 2.826 11.350 -12.316 1.00 0.00 H new ATOM 0 HA GLN A 90 3.613 12.878 -14.633 1.00 0.00 H new ATOM 0 HB2 GLN A 90 5.095 11.643 -12.297 1.00 0.00 H new ATOM 0 HB3 GLN A 90 5.924 12.445 -13.616 1.00 0.00 H new ATOM 0 HG2 GLN A 90 3.741 13.730 -11.908 1.00 0.00 H new ATOM 0 HG3 GLN A 90 5.460 13.969 -11.666 1.00 0.00 H new ATOM 0 HE21 GLN A 90 3.077 15.677 -12.512 1.00 0.00 H new ATOM 0 HE22 GLN A 90 3.638 16.559 -13.937 1.00 0.00 H new ATOM 1368 N ASP A 91 3.508 9.800 -14.928 1.00 0.00 N ATOM 1369 CA ASP A 91 3.801 8.645 -15.759 1.00 0.00 C ATOM 1370 C ASP A 91 5.180 8.094 -15.391 1.00 0.00 C ATOM 1371 O ASP A 91 5.920 7.632 -16.258 1.00 0.00 O ATOM 1372 CB ASP A 91 3.824 9.024 -17.241 1.00 0.00 C ATOM 1373 CG ASP A 91 2.448 9.166 -17.894 1.00 0.00 C ATOM 1374 OD1 ASP A 91 1.456 8.858 -17.198 1.00 0.00 O ATOM 1375 OD2 ASP A 91 2.419 9.579 -19.073 1.00 0.00 O ATOM 0 H ASP A 91 2.674 9.707 -14.348 1.00 0.00 H new ATOM 0 HA ASP A 91 3.022 7.901 -15.589 1.00 0.00 H new ATOM 0 HB2 ASP A 91 4.361 9.966 -17.351 1.00 0.00 H new ATOM 0 HB3 ASP A 91 4.391 8.269 -17.785 1.00 0.00 H new ATOM 1380 N THR A 92 5.485 8.162 -14.103 1.00 0.00 N ATOM 1381 CA THR A 92 6.762 7.675 -13.609 1.00 0.00 C ATOM 1382 C THR A 92 6.550 6.716 -12.437 1.00 0.00 C ATOM 1383 O THR A 92 7.379 6.644 -11.531 1.00 0.00 O ATOM 1384 CB THR A 92 7.624 8.888 -13.253 1.00 0.00 C ATOM 1385 OG1 THR A 92 6.733 9.755 -12.556 1.00 0.00 O ATOM 1386 CG2 THR A 92 8.038 9.694 -14.486 1.00 0.00 C ATOM 0 H THR A 92 4.870 8.547 -13.387 1.00 0.00 H new ATOM 0 HA THR A 92 7.286 7.097 -14.370 1.00 0.00 H new ATOM 0 HB THR A 92 8.515 8.556 -12.720 1.00 0.00 H new ATOM 0 HG1 THR A 92 7.211 10.567 -12.287 1.00 0.00 H new ATOM 0 HG21 THR A 92 8.648 10.543 -14.178 1.00 0.00 H new ATOM 0 HG22 THR A 92 8.614 9.059 -15.159 1.00 0.00 H new ATOM 0 HG23 THR A 92 7.147 10.055 -15.001 1.00 0.00 H new ATOM 1394 N LEU A 93 5.435 6.002 -12.492 1.00 0.00 N ATOM 1395 CA LEU A 93 5.103 5.050 -11.446 1.00 0.00 C ATOM 1396 C LEU A 93 6.185 3.969 -11.385 1.00 0.00 C ATOM 1397 O LEU A 93 6.450 3.411 -10.321 1.00 0.00 O ATOM 1398 CB LEU A 93 3.692 4.496 -11.653 1.00 0.00 C ATOM 1399 CG LEU A 93 3.121 3.667 -10.501 1.00 0.00 C ATOM 1400 CD1 LEU A 93 2.809 4.551 -9.291 1.00 0.00 C ATOM 1401 CD2 LEU A 93 1.900 2.865 -10.955 1.00 0.00 C ATOM 0 H LEU A 93 4.750 6.064 -13.245 1.00 0.00 H new ATOM 0 HA LEU A 93 5.087 5.542 -10.474 1.00 0.00 H new ATOM 0 HB2 LEU A 93 3.019 5.332 -11.841 1.00 0.00 H new ATOM 0 HB3 LEU A 93 3.693 3.880 -12.552 1.00 0.00 H new ATOM 0 HG LEU A 93 3.879 2.949 -10.188 1.00 0.00 H new ATOM 0 HD11 LEU A 93 2.404 3.937 -8.486 1.00 0.00 H new ATOM 0 HD12 LEU A 93 3.723 5.038 -8.951 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.077 5.308 -9.573 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.514 2.285 -10.117 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.128 3.548 -11.310 1.00 0.00 H new ATOM 0 HD23 LEU A 93 2.187 2.191 -11.762 1.00 0.00 H new ATOM 1413 N GLN A 94 6.779 3.706 -12.539 1.00 0.00 N ATOM 1414 CA GLN A 94 7.826 2.702 -12.630 1.00 0.00 C ATOM 1415 C GLN A 94 9.090 3.186 -11.916 1.00 0.00 C ATOM 1416 O GLN A 94 9.774 2.404 -11.258 1.00 0.00 O ATOM 1417 CB GLN A 94 8.122 2.349 -14.089 1.00 0.00 C ATOM 1418 CG GLN A 94 7.077 1.377 -14.640 1.00 0.00 C ATOM 1419 CD GLN A 94 6.071 2.103 -15.535 1.00 0.00 C ATOM 1420 OE1 GLN A 94 6.303 2.341 -16.709 1.00 0.00 O ATOM 1421 NE2 GLN A 94 4.943 2.441 -14.917 1.00 0.00 N ATOM 0 H GLN A 94 6.556 4.170 -13.419 1.00 0.00 H new ATOM 0 HA GLN A 94 7.477 1.796 -12.135 1.00 0.00 H new ATOM 0 HB2 GLN A 94 8.133 3.257 -14.692 1.00 0.00 H new ATOM 0 HB3 GLN A 94 9.114 1.904 -14.165 1.00 0.00 H new ATOM 0 HG2 GLN A 94 7.572 0.589 -15.208 1.00 0.00 H new ATOM 0 HG3 GLN A 94 6.553 0.895 -13.815 1.00 0.00 H new ATOM 0 HE21 GLN A 94 4.813 2.212 -13.932 1.00 0.00 H new ATOM 0 HE22 GLN A 94 4.208 2.930 -15.428 1.00 0.00 H new ATOM 1430 N GLU A 95 9.360 4.474 -12.069 1.00 0.00 N ATOM 1431 CA GLU A 95 10.530 5.072 -11.447 1.00 0.00 C ATOM 1432 C GLU A 95 10.356 5.120 -9.927 1.00 0.00 C ATOM 1433 O GLU A 95 11.213 4.640 -9.186 1.00 0.00 O ATOM 1434 CB GLU A 95 10.798 6.468 -12.012 1.00 0.00 C ATOM 1435 CG GLU A 95 11.981 6.449 -12.982 1.00 0.00 C ATOM 1436 CD GLU A 95 12.828 7.716 -12.839 1.00 0.00 C ATOM 1437 OE1 GLU A 95 12.377 8.761 -13.356 1.00 0.00 O ATOM 1438 OE2 GLU A 95 13.906 7.610 -12.217 1.00 0.00 O ATOM 0 H GLU A 95 8.789 5.120 -12.614 1.00 0.00 H new ATOM 0 HA GLU A 95 11.396 4.451 -11.675 1.00 0.00 H new ATOM 0 HB2 GLU A 95 9.908 6.834 -12.525 1.00 0.00 H new ATOM 0 HB3 GLU A 95 11.003 7.161 -11.196 1.00 0.00 H new ATOM 0 HG2 GLU A 95 12.598 5.571 -12.791 1.00 0.00 H new ATOM 0 HG3 GLU A 95 11.615 6.365 -14.005 1.00 0.00 H new ATOM 1445 N PHE A 96 9.243 5.703 -9.509 1.00 0.00 N ATOM 1446 CA PHE A 96 8.946 5.819 -8.091 1.00 0.00 C ATOM 1447 C PHE A 96 9.230 4.505 -7.362 1.00 0.00 C ATOM 1448 O PHE A 96 9.879 4.497 -6.317 1.00 0.00 O ATOM 1449 CB PHE A 96 7.456 6.145 -7.971 1.00 0.00 C ATOM 1450 CG PHE A 96 6.916 6.068 -6.541 1.00 0.00 C ATOM 1451 CD1 PHE A 96 7.384 6.921 -5.591 1.00 0.00 C ATOM 1452 CD2 PHE A 96 5.968 5.146 -6.221 1.00 0.00 C ATOM 1453 CE1 PHE A 96 6.882 6.850 -4.264 1.00 0.00 C ATOM 1454 CE2 PHE A 96 5.467 5.075 -4.895 1.00 0.00 C ATOM 1455 CZ PHE A 96 5.934 5.928 -3.944 1.00 0.00 C ATOM 0 H PHE A 96 8.535 6.100 -10.127 1.00 0.00 H new ATOM 0 HA PHE A 96 9.569 6.593 -7.643 1.00 0.00 H new ATOM 0 HB2 PHE A 96 7.281 7.148 -8.361 1.00 0.00 H new ATOM 0 HB3 PHE A 96 6.892 5.456 -8.599 1.00 0.00 H new ATOM 0 HD1 PHE A 96 8.137 7.652 -5.845 1.00 0.00 H new ATOM 0 HD2 PHE A 96 5.597 4.468 -6.976 1.00 0.00 H new ATOM 0 HE1 PHE A 96 7.253 7.528 -3.509 1.00 0.00 H new ATOM 0 HE2 PHE A 96 4.714 4.343 -4.641 1.00 0.00 H new ATOM 0 HZ PHE A 96 5.552 5.873 -2.935 1.00 0.00 H new ATOM 1465 N LEU A 97 8.729 3.424 -7.941 1.00 0.00 N ATOM 1466 CA LEU A 97 8.920 2.106 -7.359 1.00 0.00 C ATOM 1467 C LEU A 97 10.328 1.607 -7.689 1.00 0.00 C ATOM 1468 O LEU A 97 11.115 2.322 -8.308 1.00 0.00 O ATOM 1469 CB LEU A 97 7.809 1.155 -7.811 1.00 0.00 C ATOM 1470 CG LEU A 97 6.383 1.704 -7.732 1.00 0.00 C ATOM 1471 CD1 LEU A 97 5.429 0.876 -8.596 1.00 0.00 C ATOM 1472 CD2 LEU A 97 5.910 1.794 -6.280 1.00 0.00 C ATOM 0 H LEU A 97 8.191 3.434 -8.807 1.00 0.00 H new ATOM 0 HA LEU A 97 8.845 2.154 -6.273 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.007 0.860 -8.842 1.00 0.00 H new ATOM 0 HB3 LEU A 97 7.863 0.251 -7.205 1.00 0.00 H new ATOM 0 HG LEU A 97 6.384 2.717 -8.133 1.00 0.00 H new ATOM 0 HD11 LEU A 97 4.422 1.287 -8.522 1.00 0.00 H new ATOM 0 HD12 LEU A 97 5.759 0.907 -9.634 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.426 -0.157 -8.247 1.00 0.00 H new ATOM 0 HD21 LEU A 97 4.894 2.187 -6.252 1.00 0.00 H new ATOM 0 HD22 LEU A 97 5.928 0.802 -5.829 1.00 0.00 H new ATOM 0 HD23 LEU A 97 6.571 2.457 -5.722 1.00 0.00 H new ATOM 1484 N LYS A 98 10.604 0.384 -7.260 1.00 0.00 N ATOM 1485 CA LYS A 98 11.903 -0.218 -7.501 1.00 0.00 C ATOM 1486 C LYS A 98 11.819 -1.129 -8.728 1.00 0.00 C ATOM 1487 O LYS A 98 12.305 -2.259 -8.701 1.00 0.00 O ATOM 1488 CB LYS A 98 12.408 -0.927 -6.243 1.00 0.00 C ATOM 1489 CG LYS A 98 13.919 -0.752 -6.083 1.00 0.00 C ATOM 1490 CD LYS A 98 14.254 0.630 -5.517 1.00 0.00 C ATOM 1491 CE LYS A 98 15.741 0.737 -5.175 1.00 0.00 C ATOM 1492 NZ LYS A 98 16.531 1.046 -6.388 1.00 0.00 N ATOM 0 H LYS A 98 9.949 -0.206 -6.747 1.00 0.00 H new ATOM 0 HA LYS A 98 12.643 0.551 -7.724 1.00 0.00 H new ATOM 0 HB2 LYS A 98 11.897 -0.528 -5.367 1.00 0.00 H new ATOM 0 HB3 LYS A 98 12.165 -1.988 -6.297 1.00 0.00 H new ATOM 0 HG2 LYS A 98 14.310 -1.525 -5.421 1.00 0.00 H new ATOM 0 HG3 LYS A 98 14.408 -0.882 -7.048 1.00 0.00 H new ATOM 0 HD2 LYS A 98 13.988 1.398 -6.243 1.00 0.00 H new ATOM 0 HD3 LYS A 98 13.658 0.815 -4.624 1.00 0.00 H new ATOM 0 HE2 LYS A 98 15.893 1.515 -4.427 1.00 0.00 H new ATOM 0 HE3 LYS A 98 16.088 -0.199 -4.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 17.538 1.115 -6.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 16.400 0.290 -7.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 16.211 1.950 -6.790 1.00 0.00 H new ATOM 1506 N LEU A 99 11.198 -0.604 -9.774 1.00 0.00 N ATOM 1507 CA LEU A 99 11.043 -1.356 -11.007 1.00 0.00 C ATOM 1508 C LEU A 99 12.112 -0.912 -12.008 1.00 0.00 C ATOM 1509 O LEU A 99 12.787 -1.745 -12.611 1.00 0.00 O ATOM 1510 CB LEU A 99 9.613 -1.227 -11.538 1.00 0.00 C ATOM 1511 CG LEU A 99 8.499 -1.613 -10.563 1.00 0.00 C ATOM 1512 CD1 LEU A 99 7.121 -1.403 -11.194 1.00 0.00 C ATOM 1513 CD2 LEU A 99 8.686 -3.044 -10.056 1.00 0.00 C ATOM 0 H LEU A 99 10.796 0.333 -9.793 1.00 0.00 H new ATOM 0 HA LEU A 99 11.197 -2.420 -10.826 1.00 0.00 H new ATOM 0 HB2 LEU A 99 9.454 -0.195 -11.850 1.00 0.00 H new ATOM 0 HB3 LEU A 99 9.520 -1.848 -12.429 1.00 0.00 H new ATOM 0 HG LEU A 99 8.560 -0.954 -9.697 1.00 0.00 H new ATOM 0 HD11 LEU A 99 6.347 -1.685 -10.480 1.00 0.00 H new ATOM 0 HD12 LEU A 99 7.001 -0.354 -11.464 1.00 0.00 H new ATOM 0 HD13 LEU A 99 7.032 -2.020 -12.088 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.881 -3.293 -9.365 1.00 0.00 H new ATOM 0 HD22 LEU A 99 8.667 -3.734 -10.899 1.00 0.00 H new ATOM 0 HD23 LEU A 99 9.644 -3.126 -9.542 1.00 0.00 H new ATOM 1525 N ALA A 100 12.233 0.400 -12.152 1.00 0.00 N ATOM 1526 CA ALA A 100 13.209 0.964 -13.069 1.00 0.00 C ATOM 1527 C ALA A 100 14.073 1.984 -12.323 1.00 0.00 C ATOM 1528 O ALA A 100 13.630 2.578 -11.342 1.00 0.00 O ATOM 1529 CB ALA A 100 12.486 1.580 -14.269 1.00 0.00 C ATOM 0 H ALA A 100 11.672 1.088 -11.650 1.00 0.00 H new ATOM 0 HA ALA A 100 13.871 0.187 -13.451 1.00 0.00 H new ATOM 0 HB1 ALA A 100 13.218 2.003 -14.957 1.00 0.00 H new ATOM 0 HB2 ALA A 100 11.910 0.810 -14.781 1.00 0.00 H new ATOM 0 HB3 ALA A 100 11.815 2.367 -13.925 1.00 0.00 H new