USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 655 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 79 TYR OH : rot 11:sc= 1.28 USER MOD Set 1.2: B 118 HIS : +bothHN:sc= -0.674! C(o=0.61!,f=-6!) USER MOD Set 2.1: A 34 SER OG : rot -108:sc= 1.23 USER MOD Set 2.2: A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.655 X(o=-0.66,f=-0.17) USER MOD Single : A 16 TYR OH : rot 80:sc= -0.0407 USER MOD Single : A 19 LYS NZ :NH3+ 165:sc= -0.0578 (180deg=-0.374) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -167:sc= 1.01 (180deg=0.853) USER MOD Single : A 23 THR OG1 : rot 116:sc= 1.15 USER MOD Single : A 24 MET CE :methyl 180:sc=-0.000409 (180deg=-0.000409) USER MOD Single : A 25 SER OG : rot 130:sc= 0.482 USER MOD Single : A 30 GLN : amide:sc= 1.23 K(o=1.2,f=-8!) USER MOD Single : A 35 GLN : amide:sc= 0.069 K(o=0.069,f=-4.7!) USER MOD Single : A 38 HIS : no HE2:sc= -0.763! C(o=-0.76!,f=-2.5!) USER MOD Single : A 40 HIS : no HD1:sc= -0.44 K(o=-0.44,f=-3.9!) USER MOD Single : A 42 TYR OH : rot -146:sc= 1.47 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -0.0615 K(o=-0.062,f=-2.7!) USER MOD Single : A 50 LYS NZ :NH3+ -140:sc= 2.46 (180deg=2.24) USER MOD Single : A 51 ASN : amide:sc= -0.259 K(o=-0.26,f=-2) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -1.11! C(o=-1.1!,f=-5.7!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.108 K(o=-0.11,f=-12!) USER MOD Single : A 70 THR OG1 : rot 83:sc= -0.357 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.00807 USER MOD Single : A 74 ASN : amide:sc= -0.0121 X(o=-0.012,f=-0.03) USER MOD Single : A 75 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00726) USER MOD Single : B 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 114 LYS NZ :NH3+ -169:sc= 0.863 (180deg=0.849) USER MOD Single : B 115 ASN : amide:sc= 1.09 K(o=1.1,f=-0.024) USER MOD ----------------------------------------------------------------- ATOM 179 N GLY A 13 -3.162 9.781 4.365 1.00 0.00 N ATOM 180 CA GLY A 13 -3.661 9.640 3.011 1.00 0.00 C ATOM 181 C GLY A 13 -4.548 8.426 2.814 1.00 0.00 C ATOM 182 O GLY A 13 -4.764 7.985 1.685 1.00 0.00 O ATOM 0 HA2 GLY A 13 -4.221 10.536 2.744 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.816 9.577 2.326 1.00 0.00 H new ATOM 186 N GLU A 14 -5.077 7.905 3.906 1.00 0.00 N ATOM 187 CA GLU A 14 -5.977 6.739 3.884 1.00 0.00 C ATOM 188 C GLU A 14 -7.234 6.991 3.039 1.00 0.00 C ATOM 189 O GLU A 14 -7.760 6.079 2.401 1.00 0.00 O ATOM 190 CB GLU A 14 -6.388 6.353 5.310 1.00 0.00 C ATOM 191 CG GLU A 14 -5.234 5.920 6.198 1.00 0.00 C ATOM 192 CD GLU A 14 -5.684 5.529 7.581 1.00 0.00 C ATOM 193 OE1 GLU A 14 -6.268 4.430 7.751 1.00 0.00 O ATOM 194 OE2 GLU A 14 -5.443 6.293 8.537 1.00 0.00 O ATOM 0 H GLU A 14 -4.901 8.271 4.842 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.423 5.920 3.425 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.889 7.203 5.774 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.116 5.543 5.259 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.720 5.077 5.735 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.511 6.733 6.271 1.00 0.00 H new ATOM 201 N ASN A 15 -7.669 8.233 2.990 1.00 0.00 N ATOM 202 CA ASN A 15 -8.911 8.604 2.300 1.00 0.00 C ATOM 203 C ASN A 15 -8.697 8.735 0.772 1.00 0.00 C ATOM 204 O ASN A 15 -9.612 9.096 0.033 1.00 0.00 O ATOM 205 CB ASN A 15 -9.440 9.934 2.884 1.00 0.00 C ATOM 206 CG ASN A 15 -10.806 10.350 2.411 1.00 0.00 C ATOM 207 OD1 ASN A 15 -11.068 11.533 2.229 1.00 0.00 O ATOM 208 ND2 ASN A 15 -11.706 9.430 2.309 1.00 0.00 N ATOM 0 H ASN A 15 -7.182 9.019 3.422 1.00 0.00 H new ATOM 0 HA ASN A 15 -9.644 7.813 2.459 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -9.460 9.851 3.971 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -8.732 10.726 2.638 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -12.666 9.680 2.071 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -11.457 8.453 2.466 1.00 0.00 H new ATOM 215 N TYR A 16 -7.499 8.424 0.298 1.00 0.00 N ATOM 216 CA TYR A 16 -7.201 8.554 -1.118 1.00 0.00 C ATOM 217 C TYR A 16 -7.860 7.442 -1.913 1.00 0.00 C ATOM 218 O TYR A 16 -7.458 6.283 -1.823 1.00 0.00 O ATOM 219 CB TYR A 16 -5.685 8.580 -1.383 1.00 0.00 C ATOM 220 CG TYR A 16 -5.341 8.720 -2.845 1.00 0.00 C ATOM 221 CD1 TYR A 16 -5.428 9.947 -3.490 1.00 0.00 C ATOM 222 CD2 TYR A 16 -4.963 7.619 -3.585 1.00 0.00 C ATOM 223 CE1 TYR A 16 -5.150 10.065 -4.834 1.00 0.00 C ATOM 224 CE2 TYR A 16 -4.676 7.724 -4.915 1.00 0.00 C ATOM 225 CZ TYR A 16 -4.774 8.949 -5.544 1.00 0.00 C ATOM 226 OH TYR A 16 -4.519 9.045 -6.893 1.00 0.00 O ATOM 0 H TYR A 16 -6.725 8.083 0.868 1.00 0.00 H new ATOM 0 HA TYR A 16 -7.611 9.509 -1.448 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -5.240 9.408 -0.831 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.239 7.663 -0.997 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -5.718 10.823 -2.929 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -4.893 6.655 -3.103 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.227 11.024 -5.325 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -4.373 6.851 -5.474 1.00 0.00 H new ATOM 0 HH TYR A 16 -3.619 9.407 -7.031 1.00 0.00 H new ATOM 236 N ASP A 17 -8.872 7.791 -2.673 1.00 0.00 N ATOM 237 CA ASP A 17 -9.610 6.833 -3.503 1.00 0.00 C ATOM 238 C ASP A 17 -9.263 7.054 -4.968 1.00 0.00 C ATOM 239 O ASP A 17 -9.915 6.511 -5.867 1.00 0.00 O ATOM 240 CB ASP A 17 -11.122 7.011 -3.311 1.00 0.00 C ATOM 241 CG ASP A 17 -11.640 8.303 -3.911 1.00 0.00 C ATOM 242 OD1 ASP A 17 -11.292 9.387 -3.406 1.00 0.00 O ATOM 243 OD2 ASP A 17 -12.373 8.256 -4.918 1.00 0.00 O ATOM 0 H ASP A 17 -9.217 8.748 -2.742 1.00 0.00 H new ATOM 0 HA ASP A 17 -9.329 5.823 -3.203 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -11.643 6.169 -3.766 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -11.354 6.991 -2.246 1.00 0.00 H new ATOM 248 N GLY A 18 -8.188 7.784 -5.191 1.00 0.00 N ATOM 249 CA GLY A 18 -7.774 8.153 -6.530 1.00 0.00 C ATOM 250 C GLY A 18 -7.296 6.978 -7.360 1.00 0.00 C ATOM 251 O GLY A 18 -7.110 5.861 -6.849 1.00 0.00 O ATOM 0 H GLY A 18 -7.579 8.137 -4.452 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -8.609 8.633 -7.041 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -6.974 8.891 -6.464 1.00 0.00 H new ATOM 255 N LYS A 19 -7.041 7.251 -8.605 1.00 0.00 N ATOM 256 CA LYS A 19 -6.808 6.240 -9.601 1.00 0.00 C ATOM 257 C LYS A 19 -5.344 6.135 -10.037 1.00 0.00 C ATOM 258 O LYS A 19 -5.063 5.590 -11.106 1.00 0.00 O ATOM 259 CB LYS A 19 -7.690 6.571 -10.800 1.00 0.00 C ATOM 260 CG LYS A 19 -9.137 6.798 -10.401 1.00 0.00 C ATOM 261 CD LYS A 19 -10.003 7.180 -11.575 1.00 0.00 C ATOM 262 CE LYS A 19 -11.431 7.457 -11.132 1.00 0.00 C ATOM 263 NZ LYS A 19 -11.511 8.565 -10.146 1.00 0.00 N ATOM 0 H LYS A 19 -6.987 8.203 -8.967 1.00 0.00 H new ATOM 0 HA LYS A 19 -7.054 5.270 -9.170 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -7.307 7.463 -11.295 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -7.638 5.757 -11.523 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -9.531 5.891 -9.942 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -9.184 7.584 -9.647 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -9.592 8.064 -12.062 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -9.997 6.377 -12.313 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -12.038 7.704 -12.003 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -11.855 6.553 -10.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -12.497 8.887 -10.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -11.179 8.230 -9.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -10.914 9.355 -10.463 1.00 0.00 H new ATOM 277 N ILE A 20 -4.418 6.633 -9.233 1.00 0.00 N ATOM 278 CA ILE A 20 -3.005 6.494 -9.563 1.00 0.00 C ATOM 279 C ILE A 20 -2.624 5.008 -9.422 1.00 0.00 C ATOM 280 O ILE A 20 -3.116 4.324 -8.514 1.00 0.00 O ATOM 281 CB ILE A 20 -2.103 7.395 -8.660 1.00 0.00 C ATOM 282 CG1 ILE A 20 -0.669 7.457 -9.195 1.00 0.00 C ATOM 283 CG2 ILE A 20 -2.121 6.919 -7.226 1.00 0.00 C ATOM 284 CD1 ILE A 20 0.250 8.392 -8.428 1.00 0.00 C ATOM 0 H ILE A 20 -4.611 7.128 -8.363 1.00 0.00 H new ATOM 0 HA ILE A 20 -2.840 6.828 -10.587 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.514 8.404 -8.686 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.244 6.454 -9.176 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.697 7.771 -10.238 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.485 7.564 -6.620 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.141 6.953 -6.844 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -1.750 5.895 -7.178 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.244 8.373 -8.875 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -0.147 9.406 -8.468 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.314 8.068 -7.389 1.00 0.00 H new ATOM 296 N SER A 21 -1.807 4.507 -10.310 1.00 0.00 N ATOM 297 CA SER A 21 -1.515 3.096 -10.311 1.00 0.00 C ATOM 298 C SER A 21 -0.029 2.822 -10.511 1.00 0.00 C ATOM 299 O SER A 21 0.378 1.732 -10.949 1.00 0.00 O ATOM 300 CB SER A 21 -2.347 2.455 -11.397 1.00 0.00 C ATOM 301 OG SER A 21 -2.145 3.106 -12.659 1.00 0.00 O ATOM 0 H SER A 21 -1.335 5.047 -11.035 1.00 0.00 H new ATOM 0 HA SER A 21 -1.768 2.668 -9.341 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.086 1.400 -11.483 1.00 0.00 H new ATOM 0 HB3 SER A 21 -3.402 2.502 -11.126 1.00 0.00 H new ATOM 0 HG SER A 21 -2.694 2.670 -13.344 1.00 0.00 H new ATOM 307 N LYS A 22 0.773 3.789 -10.163 1.00 0.00 N ATOM 308 CA LYS A 22 2.207 3.672 -10.270 1.00 0.00 C ATOM 309 C LYS A 22 2.820 4.189 -9.014 1.00 0.00 C ATOM 310 O LYS A 22 2.212 5.006 -8.336 1.00 0.00 O ATOM 311 CB LYS A 22 2.770 4.394 -11.501 1.00 0.00 C ATOM 312 CG LYS A 22 2.388 3.748 -12.827 1.00 0.00 C ATOM 313 CD LYS A 22 3.075 4.431 -13.990 1.00 0.00 C ATOM 314 CE LYS A 22 2.750 3.752 -15.313 1.00 0.00 C ATOM 315 NZ LYS A 22 3.190 2.334 -15.352 1.00 0.00 N ATOM 0 H LYS A 22 0.453 4.685 -9.795 1.00 0.00 H new ATOM 0 HA LYS A 22 2.459 2.620 -10.404 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.418 5.426 -11.497 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.857 4.427 -11.425 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.659 2.692 -12.811 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.307 3.798 -12.960 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.767 5.476 -14.032 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.153 4.422 -13.832 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.675 3.800 -15.487 1.00 0.00 H new ATOM 0 HE3 LYS A 22 3.229 4.299 -16.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 3.149 1.985 -16.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 4.166 2.264 -15.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.563 1.759 -14.753 1.00 0.00 H new ATOM 329 N THR A 23 4.013 3.747 -8.700 1.00 0.00 N ATOM 330 CA THR A 23 4.607 4.090 -7.447 1.00 0.00 C ATOM 331 C THR A 23 5.338 5.424 -7.568 1.00 0.00 C ATOM 332 O THR A 23 5.235 6.099 -8.605 1.00 0.00 O ATOM 333 CB THR A 23 5.568 2.973 -7.039 1.00 0.00 C ATOM 334 OG1 THR A 23 6.586 2.833 -8.047 1.00 0.00 O ATOM 335 CG2 THR A 23 4.812 1.656 -6.900 1.00 0.00 C ATOM 0 H THR A 23 4.585 3.151 -9.298 1.00 0.00 H new ATOM 0 HA THR A 23 3.839 4.197 -6.681 1.00 0.00 H new ATOM 0 HB THR A 23 6.024 3.225 -6.081 1.00 0.00 H new ATOM 0 HG1 THR A 23 7.460 3.053 -7.662 1.00 0.00 H new ATOM 0 HG21 THR A 23 5.506 0.867 -6.609 1.00 0.00 H new ATOM 0 HG22 THR A 23 4.039 1.759 -6.138 1.00 0.00 H new ATOM 0 HG23 THR A 23 4.350 1.399 -7.853 1.00 0.00 H new ATOM 343 N MET A 24 6.071 5.810 -6.540 1.00 0.00 N ATOM 344 CA MET A 24 6.826 7.031 -6.569 1.00 0.00 C ATOM 345 C MET A 24 7.923 6.997 -7.630 1.00 0.00 C ATOM 346 O MET A 24 8.240 8.021 -8.220 1.00 0.00 O ATOM 347 CB MET A 24 7.371 7.407 -5.182 1.00 0.00 C ATOM 348 CG MET A 24 8.211 6.371 -4.486 1.00 0.00 C ATOM 349 SD MET A 24 8.840 6.959 -2.898 1.00 0.00 S ATOM 350 CE MET A 24 9.788 5.536 -2.355 1.00 0.00 C ATOM 0 H MET A 24 6.154 5.284 -5.670 1.00 0.00 H new ATOM 0 HA MET A 24 6.135 7.824 -6.856 1.00 0.00 H new ATOM 0 HB2 MET A 24 7.965 8.315 -5.284 1.00 0.00 H new ATOM 0 HB3 MET A 24 6.526 7.649 -4.538 1.00 0.00 H new ATOM 0 HG2 MET A 24 7.618 5.470 -4.329 1.00 0.00 H new ATOM 0 HG3 MET A 24 9.048 6.094 -5.127 1.00 0.00 H new ATOM 0 HE1 MET A 24 10.239 5.748 -1.385 1.00 0.00 H new ATOM 0 HE2 MET A 24 9.130 4.672 -2.268 1.00 0.00 H new ATOM 0 HE3 MET A 24 10.573 5.323 -3.081 1.00 0.00 H new ATOM 360 N SER A 25 8.464 5.822 -7.908 1.00 0.00 N ATOM 361 CA SER A 25 9.448 5.691 -8.939 1.00 0.00 C ATOM 362 C SER A 25 8.762 5.514 -10.300 1.00 0.00 C ATOM 363 O SER A 25 9.378 5.671 -11.366 1.00 0.00 O ATOM 364 CB SER A 25 10.355 4.535 -8.627 1.00 0.00 C ATOM 365 OG SER A 25 10.904 4.666 -7.313 1.00 0.00 O ATOM 0 H SER A 25 8.230 4.953 -7.428 1.00 0.00 H new ATOM 0 HA SER A 25 10.054 6.596 -8.986 1.00 0.00 H new ATOM 0 HB2 SER A 25 9.800 3.600 -8.704 1.00 0.00 H new ATOM 0 HB3 SER A 25 11.160 4.489 -9.360 1.00 0.00 H new ATOM 0 HG SER A 25 10.778 3.828 -6.821 1.00 0.00 H new ATOM 371 N GLY A 26 7.469 5.235 -10.245 1.00 0.00 N ATOM 372 CA GLY A 26 6.676 5.069 -11.433 1.00 0.00 C ATOM 373 C GLY A 26 6.604 3.645 -11.877 1.00 0.00 C ATOM 374 O GLY A 26 6.357 3.360 -13.055 1.00 0.00 O ATOM 0 H GLY A 26 6.950 5.119 -9.375 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.668 5.440 -11.248 1.00 0.00 H new ATOM 0 HA3 GLY A 26 7.097 5.676 -12.235 1.00 0.00 H new ATOM 378 N LEU A 27 6.825 2.749 -10.954 1.00 0.00 N ATOM 379 CA LEU A 27 6.744 1.346 -11.226 1.00 0.00 C ATOM 380 C LEU A 27 5.302 0.963 -11.345 1.00 0.00 C ATOM 381 O LEU A 27 4.433 1.669 -10.847 1.00 0.00 O ATOM 382 CB LEU A 27 7.374 0.563 -10.098 1.00 0.00 C ATOM 383 CG LEU A 27 8.884 0.744 -9.901 1.00 0.00 C ATOM 384 CD1 LEU A 27 9.340 0.082 -8.618 1.00 0.00 C ATOM 385 CD2 LEU A 27 9.633 0.146 -11.072 1.00 0.00 C ATOM 0 H LEU A 27 7.067 2.976 -9.989 1.00 0.00 H new ATOM 0 HA LEU A 27 7.273 1.123 -12.152 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.873 0.838 -9.170 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.176 -0.496 -10.265 1.00 0.00 H new ATOM 0 HG LEU A 27 9.096 1.811 -9.839 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.414 0.222 -8.498 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.819 0.530 -7.772 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.116 -0.984 -8.659 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.705 0.279 -10.924 1.00 0.00 H new ATOM 0 HD22 LEU A 27 9.406 -0.918 -11.144 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.329 0.646 -11.992 1.00 0.00 H new ATOM 397 N GLU A 28 5.052 -0.138 -11.970 1.00 0.00 N ATOM 398 CA GLU A 28 3.701 -0.585 -12.160 1.00 0.00 C ATOM 399 C GLU A 28 3.226 -1.147 -10.848 1.00 0.00 C ATOM 400 O GLU A 28 3.942 -1.951 -10.215 1.00 0.00 O ATOM 401 CB GLU A 28 3.620 -1.671 -13.229 1.00 0.00 C ATOM 402 CG GLU A 28 2.251 -1.776 -13.875 1.00 0.00 C ATOM 403 CD GLU A 28 1.943 -0.559 -14.715 1.00 0.00 C ATOM 404 OE1 GLU A 28 1.604 0.510 -14.164 1.00 0.00 O ATOM 405 OE2 GLU A 28 2.064 -0.638 -15.951 1.00 0.00 O ATOM 0 H GLU A 28 5.765 -0.752 -12.362 1.00 0.00 H new ATOM 0 HA GLU A 28 3.083 0.251 -12.488 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.363 -1.468 -14.000 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.878 -2.631 -12.782 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.208 -2.670 -14.497 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.490 -1.889 -13.103 1.00 0.00 H new ATOM 412 N CYS A 29 2.094 -0.720 -10.409 1.00 0.00 N ATOM 413 CA CYS A 29 1.589 -1.192 -9.169 1.00 0.00 C ATOM 414 C CYS A 29 0.714 -2.405 -9.358 1.00 0.00 C ATOM 415 O CYS A 29 0.045 -2.564 -10.395 1.00 0.00 O ATOM 416 CB CYS A 29 0.891 -0.086 -8.408 1.00 0.00 C ATOM 417 SG CYS A 29 0.192 -0.538 -6.860 1.00 0.00 S ATOM 0 H CYS A 29 1.500 -0.045 -10.891 1.00 0.00 H new ATOM 0 HA CYS A 29 2.434 -1.511 -8.558 1.00 0.00 H new ATOM 0 HB2 CYS A 29 1.606 0.720 -8.240 1.00 0.00 H new ATOM 0 HB3 CYS A 29 0.098 0.317 -9.038 1.00 0.00 H new ATOM 422 N GLN A 30 0.750 -3.251 -8.372 1.00 0.00 N ATOM 423 CA GLN A 30 0.039 -4.497 -8.345 1.00 0.00 C ATOM 424 C GLN A 30 -1.278 -4.331 -7.611 1.00 0.00 C ATOM 425 O GLN A 30 -1.337 -3.695 -6.554 1.00 0.00 O ATOM 426 CB GLN A 30 0.881 -5.571 -7.648 1.00 0.00 C ATOM 427 CG GLN A 30 0.163 -6.901 -7.472 1.00 0.00 C ATOM 428 CD GLN A 30 0.927 -7.886 -6.624 1.00 0.00 C ATOM 429 OE1 GLN A 30 2.153 -7.901 -6.598 1.00 0.00 O ATOM 430 NE2 GLN A 30 0.213 -8.714 -5.919 1.00 0.00 N ATOM 0 H GLN A 30 1.299 -3.086 -7.528 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.158 -4.806 -9.371 1.00 0.00 H new ATOM 0 HB2 GLN A 30 1.792 -5.735 -8.224 1.00 0.00 H new ATOM 0 HB3 GLN A 30 1.185 -5.201 -6.669 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -0.812 -6.722 -7.019 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -0.018 -7.341 -8.453 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.805 -8.675 -5.963 1.00 0.00 H new ATOM 0 HE22 GLN A 30 0.671 -9.402 -5.322 1.00 0.00 H new ATOM 439 N ALA A 31 -2.314 -4.896 -8.186 1.00 0.00 N ATOM 440 CA ALA A 31 -3.634 -4.886 -7.628 1.00 0.00 C ATOM 441 C ALA A 31 -3.679 -5.567 -6.285 1.00 0.00 C ATOM 442 O ALA A 31 -3.061 -6.625 -6.083 1.00 0.00 O ATOM 443 CB ALA A 31 -4.618 -5.539 -8.577 1.00 0.00 C ATOM 0 H ALA A 31 -2.254 -5.387 -9.078 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.917 -3.844 -7.482 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.615 -5.522 -8.136 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.629 -4.994 -9.521 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.319 -6.571 -8.758 1.00 0.00 H new ATOM 449 N TRP A 32 -4.413 -4.971 -5.377 1.00 0.00 N ATOM 450 CA TRP A 32 -4.587 -5.491 -4.045 1.00 0.00 C ATOM 451 C TRP A 32 -5.301 -6.839 -4.103 1.00 0.00 C ATOM 452 O TRP A 32 -5.051 -7.725 -3.294 1.00 0.00 O ATOM 453 CB TRP A 32 -5.393 -4.509 -3.194 1.00 0.00 C ATOM 454 CG TRP A 32 -4.809 -3.128 -3.138 1.00 0.00 C ATOM 455 CD1 TRP A 32 -5.222 -2.042 -3.852 1.00 0.00 C ATOM 456 CD2 TRP A 32 -3.708 -2.681 -2.334 1.00 0.00 C ATOM 457 NE1 TRP A 32 -4.454 -0.956 -3.549 1.00 0.00 N ATOM 458 CE2 TRP A 32 -3.511 -1.321 -2.626 1.00 0.00 C ATOM 459 CE3 TRP A 32 -2.866 -3.295 -1.400 1.00 0.00 C ATOM 460 CZ2 TRP A 32 -2.510 -0.568 -2.022 1.00 0.00 C ATOM 461 CZ3 TRP A 32 -1.872 -2.532 -0.802 1.00 0.00 C ATOM 462 CH2 TRP A 32 -1.705 -1.191 -1.119 1.00 0.00 C ATOM 0 H TRP A 32 -4.913 -4.098 -5.546 1.00 0.00 H new ATOM 0 HA TRP A 32 -3.606 -5.626 -3.589 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -6.407 -4.448 -3.590 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -5.470 -4.901 -2.180 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -6.040 -2.042 -4.557 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -4.564 -0.023 -3.946 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -2.987 -4.339 -1.150 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -2.376 0.477 -2.262 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -1.216 -2.991 -0.077 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -0.918 -0.629 -0.638 1.00 0.00 H new ATOM 473 N ASP A 33 -6.148 -7.003 -5.090 1.00 0.00 N ATOM 474 CA ASP A 33 -6.879 -8.251 -5.273 1.00 0.00 C ATOM 475 C ASP A 33 -5.998 -9.328 -5.919 1.00 0.00 C ATOM 476 O ASP A 33 -6.296 -10.531 -5.851 1.00 0.00 O ATOM 477 CB ASP A 33 -8.145 -8.015 -6.105 1.00 0.00 C ATOM 478 CG ASP A 33 -8.932 -9.277 -6.356 1.00 0.00 C ATOM 479 OD1 ASP A 33 -9.544 -9.819 -5.405 1.00 0.00 O ATOM 480 OD2 ASP A 33 -8.980 -9.738 -7.520 1.00 0.00 O ATOM 0 H ASP A 33 -6.355 -6.288 -5.787 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.173 -8.613 -4.288 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.781 -7.294 -5.592 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.867 -7.571 -7.061 1.00 0.00 H new ATOM 485 N SER A 34 -4.902 -8.914 -6.488 1.00 0.00 N ATOM 486 CA SER A 34 -4.032 -9.817 -7.168 1.00 0.00 C ATOM 487 C SER A 34 -3.018 -10.386 -6.184 1.00 0.00 C ATOM 488 O SER A 34 -2.413 -9.649 -5.400 1.00 0.00 O ATOM 489 CB SER A 34 -3.329 -9.098 -8.320 1.00 0.00 C ATOM 490 OG SER A 34 -2.623 -10.013 -9.150 1.00 0.00 O ATOM 0 H SER A 34 -4.591 -7.943 -6.491 1.00 0.00 H new ATOM 0 HA SER A 34 -4.613 -10.640 -7.584 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.064 -8.557 -8.916 1.00 0.00 H new ATOM 0 HB3 SER A 34 -2.636 -8.358 -7.920 1.00 0.00 H new ATOM 0 HG SER A 34 -1.659 -9.903 -9.012 1.00 0.00 H new ATOM 496 N GLN A 35 -2.835 -11.681 -6.229 1.00 0.00 N ATOM 497 CA GLN A 35 -1.903 -12.365 -5.350 1.00 0.00 C ATOM 498 C GLN A 35 -0.569 -12.578 -6.102 1.00 0.00 C ATOM 499 O GLN A 35 0.358 -13.215 -5.609 1.00 0.00 O ATOM 500 CB GLN A 35 -2.517 -13.715 -4.927 1.00 0.00 C ATOM 501 CG GLN A 35 -1.802 -14.437 -3.783 1.00 0.00 C ATOM 502 CD GLN A 35 -1.894 -13.710 -2.446 1.00 0.00 C ATOM 503 OE1 GLN A 35 -0.994 -13.800 -1.621 1.00 0.00 O ATOM 504 NE2 GLN A 35 -2.972 -13.001 -2.208 1.00 0.00 N ATOM 0 H GLN A 35 -3.326 -12.298 -6.876 1.00 0.00 H new ATOM 0 HA GLN A 35 -1.709 -11.772 -4.456 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -3.554 -13.547 -4.635 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -2.533 -14.374 -5.795 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -2.226 -15.435 -3.674 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -0.752 -14.564 -4.046 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -3.709 -12.941 -2.911 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -3.074 -12.510 -1.320 1.00 0.00 H new ATOM 513 N SER A 36 -0.484 -12.012 -7.279 1.00 0.00 N ATOM 514 CA SER A 36 0.660 -12.139 -8.120 1.00 0.00 C ATOM 515 C SER A 36 0.960 -10.777 -8.763 1.00 0.00 C ATOM 516 O SER A 36 0.029 -10.008 -9.044 1.00 0.00 O ATOM 517 CB SER A 36 0.406 -13.234 -9.172 1.00 0.00 C ATOM 518 OG SER A 36 -0.806 -12.997 -9.895 1.00 0.00 O ATOM 0 H SER A 36 -1.228 -11.440 -7.680 1.00 0.00 H new ATOM 0 HA SER A 36 1.533 -12.438 -7.541 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.244 -13.273 -9.868 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.354 -14.206 -8.681 1.00 0.00 H new ATOM 0 HG SER A 36 -0.937 -13.709 -10.556 1.00 0.00 H new ATOM 524 N PRO A 37 2.248 -10.427 -8.932 1.00 0.00 N ATOM 525 CA PRO A 37 3.381 -11.371 -8.763 1.00 0.00 C ATOM 526 C PRO A 37 3.727 -11.562 -7.292 1.00 0.00 C ATOM 527 O PRO A 37 4.242 -12.596 -6.890 1.00 0.00 O ATOM 528 CB PRO A 37 4.533 -10.626 -9.448 1.00 0.00 C ATOM 529 CG PRO A 37 4.160 -9.208 -9.247 1.00 0.00 C ATOM 530 CD PRO A 37 2.703 -9.170 -9.542 1.00 0.00 C ATOM 0 HA PRO A 37 3.167 -12.361 -9.166 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.496 -10.861 -8.994 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.609 -10.880 -10.505 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.369 -8.882 -8.228 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.719 -8.551 -9.913 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.217 -8.300 -9.100 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.502 -9.137 -10.613 1.00 0.00 H new ATOM 538 N HIS A 38 3.424 -10.559 -6.506 1.00 0.00 N ATOM 539 CA HIS A 38 3.750 -10.562 -5.111 1.00 0.00 C ATOM 540 C HIS A 38 2.587 -10.947 -4.219 1.00 0.00 C ATOM 541 O HIS A 38 1.546 -10.280 -4.193 1.00 0.00 O ATOM 542 CB HIS A 38 4.364 -9.231 -4.709 1.00 0.00 C ATOM 543 CG HIS A 38 5.754 -9.075 -5.225 1.00 0.00 C ATOM 544 ND1 HIS A 38 6.122 -8.145 -6.167 1.00 0.00 N ATOM 545 CD2 HIS A 38 6.873 -9.777 -4.943 1.00 0.00 C ATOM 546 CE1 HIS A 38 7.397 -8.295 -6.443 1.00 0.00 C ATOM 547 NE2 HIS A 38 7.876 -9.272 -5.715 1.00 0.00 N ATOM 0 H HIS A 38 2.943 -9.717 -6.822 1.00 0.00 H new ATOM 0 HA HIS A 38 4.492 -11.346 -4.959 1.00 0.00 H new ATOM 0 HB2 HIS A 38 3.744 -8.418 -5.087 1.00 0.00 H new ATOM 0 HB3 HIS A 38 4.370 -9.149 -3.622 1.00 0.00 H new ATOM 0 HD1 HIS A 38 5.504 -7.450 -6.585 1.00 0.00 H new ATOM 0 HD2 HIS A 38 6.957 -10.589 -4.236 1.00 0.00 H new ATOM 0 HE1 HIS A 38 7.959 -7.708 -7.155 1.00 0.00 H new ATOM 556 N ALA A 39 2.783 -12.017 -3.489 1.00 0.00 N ATOM 557 CA ALA A 39 1.810 -12.541 -2.573 1.00 0.00 C ATOM 558 C ALA A 39 1.671 -11.618 -1.365 1.00 0.00 C ATOM 559 O ALA A 39 2.622 -10.920 -0.989 1.00 0.00 O ATOM 560 CB ALA A 39 2.221 -13.940 -2.138 1.00 0.00 C ATOM 0 H ALA A 39 3.647 -12.559 -3.519 1.00 0.00 H new ATOM 0 HA ALA A 39 0.841 -12.598 -3.069 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.481 -14.337 -1.442 1.00 0.00 H new ATOM 0 HB2 ALA A 39 2.283 -14.589 -3.011 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.194 -13.898 -1.648 1.00 0.00 H new ATOM 566 N HIS A 40 0.496 -11.586 -0.788 1.00 0.00 N ATOM 567 CA HIS A 40 0.212 -10.729 0.350 1.00 0.00 C ATOM 568 C HIS A 40 -1.105 -11.113 0.982 1.00 0.00 C ATOM 569 O HIS A 40 -1.879 -11.842 0.378 1.00 0.00 O ATOM 570 CB HIS A 40 0.162 -9.248 -0.086 1.00 0.00 C ATOM 571 CG HIS A 40 -0.864 -8.906 -1.158 1.00 0.00 C ATOM 572 ND1 HIS A 40 -0.567 -8.154 -2.253 1.00 0.00 N ATOM 573 CD2 HIS A 40 -2.202 -9.136 -1.232 1.00 0.00 C ATOM 574 CE1 HIS A 40 -1.667 -7.935 -2.925 1.00 0.00 C ATOM 575 NE2 HIS A 40 -2.653 -8.519 -2.327 1.00 0.00 N ATOM 0 H HIS A 40 -0.297 -12.152 -1.090 1.00 0.00 H new ATOM 0 HA HIS A 40 1.011 -10.858 1.080 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -0.042 -8.637 0.793 1.00 0.00 H new ATOM 0 HB3 HIS A 40 1.149 -8.963 -0.450 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -2.791 -9.712 -0.534 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -1.740 -7.358 -3.835 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -3.623 -8.510 -2.642 1.00 0.00 H new ATOM 584 N GLY A 41 -1.395 -10.566 2.142 1.00 0.00 N ATOM 585 CA GLY A 41 -2.646 -10.846 2.757 1.00 0.00 C ATOM 586 C GLY A 41 -3.584 -9.668 2.739 1.00 0.00 C ATOM 587 O GLY A 41 -4.437 -9.547 3.609 1.00 0.00 O ATOM 0 H GLY A 41 -0.784 -9.936 2.661 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.116 -11.686 2.246 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.477 -11.154 3.789 1.00 0.00 H new ATOM 591 N TYR A 42 -3.441 -8.782 1.762 1.00 0.00 N ATOM 592 CA TYR A 42 -4.335 -7.653 1.682 1.00 0.00 C ATOM 593 C TYR A 42 -5.401 -7.975 0.704 1.00 0.00 C ATOM 594 O TYR A 42 -5.329 -7.611 -0.457 1.00 0.00 O ATOM 595 CB TYR A 42 -3.631 -6.333 1.321 1.00 0.00 C ATOM 596 CG TYR A 42 -2.705 -5.782 2.389 1.00 0.00 C ATOM 597 CD1 TYR A 42 -2.465 -6.470 3.567 1.00 0.00 C ATOM 598 CD2 TYR A 42 -2.059 -4.574 2.206 1.00 0.00 C ATOM 599 CE1 TYR A 42 -1.620 -5.971 4.513 1.00 0.00 C ATOM 600 CE2 TYR A 42 -1.193 -4.082 3.156 1.00 0.00 C ATOM 601 CZ TYR A 42 -0.983 -4.783 4.303 1.00 0.00 C ATOM 602 OH TYR A 42 -0.081 -4.337 5.225 1.00 0.00 O ATOM 0 H TYR A 42 -2.729 -8.827 1.033 1.00 0.00 H new ATOM 0 HA TYR A 42 -4.758 -7.485 2.673 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -3.056 -6.484 0.407 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -4.391 -5.583 1.099 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -2.955 -7.417 3.739 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -2.236 -4.007 1.304 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -1.455 -6.517 5.430 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -0.683 -3.144 2.992 1.00 0.00 H new ATOM 0 HH TYR A 42 -0.116 -3.359 5.271 1.00 0.00 H new ATOM 612 N ILE A 43 -6.294 -8.786 1.148 1.00 0.00 N ATOM 613 CA ILE A 43 -7.408 -9.191 0.348 1.00 0.00 C ATOM 614 C ILE A 43 -8.561 -8.208 0.592 1.00 0.00 C ATOM 615 O ILE A 43 -8.975 -8.017 1.741 1.00 0.00 O ATOM 616 CB ILE A 43 -7.817 -10.650 0.718 1.00 0.00 C ATOM 617 CG1 ILE A 43 -6.606 -11.585 0.509 1.00 0.00 C ATOM 618 CG2 ILE A 43 -9.008 -11.113 -0.113 1.00 0.00 C ATOM 619 CD1 ILE A 43 -6.814 -13.017 0.956 1.00 0.00 C ATOM 0 H ILE A 43 -6.277 -9.194 2.083 1.00 0.00 H new ATOM 0 HA ILE A 43 -7.148 -9.178 -0.711 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.119 -10.680 1.765 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.346 -11.586 -0.549 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.752 -11.173 1.047 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -9.272 -12.133 0.166 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.858 -10.456 0.071 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -8.748 -11.082 -1.171 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -5.908 -13.592 0.767 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -7.041 -13.036 2.022 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -7.644 -13.455 0.401 1.00 0.00 H new ATOM 631 N PRO A 44 -9.111 -7.584 -0.476 1.00 0.00 N ATOM 632 CA PRO A 44 -10.181 -6.556 -0.362 1.00 0.00 C ATOM 633 C PRO A 44 -11.485 -7.083 0.237 1.00 0.00 C ATOM 634 O PRO A 44 -12.376 -6.316 0.570 1.00 0.00 O ATOM 635 CB PRO A 44 -10.419 -6.110 -1.811 1.00 0.00 C ATOM 636 CG PRO A 44 -9.202 -6.533 -2.553 1.00 0.00 C ATOM 637 CD PRO A 44 -8.718 -7.784 -1.887 1.00 0.00 C ATOM 0 HA PRO A 44 -9.871 -5.758 0.312 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -11.314 -6.575 -2.224 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -10.563 -5.031 -1.873 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -9.430 -6.715 -3.603 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -8.438 -5.756 -2.523 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.182 -8.673 -2.313 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -7.640 -7.906 -1.992 1.00 0.00 H new ATOM 645 N SER A 45 -11.584 -8.383 0.375 1.00 0.00 N ATOM 646 CA SER A 45 -12.756 -8.987 0.925 1.00 0.00 C ATOM 647 C SER A 45 -12.663 -8.981 2.452 1.00 0.00 C ATOM 648 O SER A 45 -13.667 -8.848 3.161 1.00 0.00 O ATOM 649 CB SER A 45 -12.873 -10.414 0.399 1.00 0.00 C ATOM 650 OG SER A 45 -12.743 -10.438 -1.030 1.00 0.00 O ATOM 0 H SER A 45 -10.853 -9.043 0.108 1.00 0.00 H new ATOM 0 HA SER A 45 -13.643 -8.426 0.629 1.00 0.00 H new ATOM 0 HB2 SER A 45 -12.102 -11.038 0.850 1.00 0.00 H new ATOM 0 HB3 SER A 45 -13.835 -10.837 0.689 1.00 0.00 H new ATOM 0 HG SER A 45 -12.819 -11.361 -1.350 1.00 0.00 H new ATOM 656 N LYS A 46 -11.444 -9.080 2.959 1.00 0.00 N ATOM 657 CA LYS A 46 -11.240 -9.141 4.355 1.00 0.00 C ATOM 658 C LYS A 46 -10.925 -7.760 4.921 1.00 0.00 C ATOM 659 O LYS A 46 -11.097 -7.514 6.117 1.00 0.00 O ATOM 660 CB LYS A 46 -10.177 -10.166 4.686 1.00 0.00 C ATOM 661 CG LYS A 46 -8.758 -9.811 4.290 1.00 0.00 C ATOM 662 CD LYS A 46 -7.785 -10.933 4.642 1.00 0.00 C ATOM 663 CE LYS A 46 -7.776 -11.202 6.141 1.00 0.00 C ATOM 664 NZ LYS A 46 -6.824 -12.252 6.521 1.00 0.00 N ATOM 0 H LYS A 46 -10.591 -9.118 2.401 1.00 0.00 H new ATOM 0 HA LYS A 46 -12.162 -9.468 4.836 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -10.198 -10.346 5.761 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -10.443 -11.105 4.200 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.716 -9.614 3.219 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.456 -8.894 4.795 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -8.064 -11.841 4.108 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -6.781 -10.665 4.312 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -7.527 -10.282 6.670 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -8.777 -11.492 6.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -6.858 -12.395 7.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.075 -13.139 6.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -5.863 -11.967 6.243 1.00 0.00 H new ATOM 678 N PHE A 47 -10.450 -6.870 4.059 1.00 0.00 N ATOM 679 CA PHE A 47 -10.256 -5.472 4.428 1.00 0.00 C ATOM 680 C PHE A 47 -10.916 -4.581 3.367 1.00 0.00 C ATOM 681 O PHE A 47 -10.233 -3.986 2.531 1.00 0.00 O ATOM 682 CB PHE A 47 -8.767 -5.087 4.572 1.00 0.00 C ATOM 683 CG PHE A 47 -7.966 -5.976 5.489 1.00 0.00 C ATOM 684 CD1 PHE A 47 -8.174 -5.955 6.860 1.00 0.00 C ATOM 685 CD2 PHE A 47 -6.995 -6.824 4.977 1.00 0.00 C ATOM 686 CE1 PHE A 47 -7.433 -6.764 7.703 1.00 0.00 C ATOM 687 CE2 PHE A 47 -6.252 -7.635 5.814 1.00 0.00 C ATOM 688 CZ PHE A 47 -6.471 -7.606 7.179 1.00 0.00 C ATOM 0 H PHE A 47 -10.191 -7.091 3.097 1.00 0.00 H new ATOM 0 HA PHE A 47 -10.716 -5.325 5.405 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -8.307 -5.100 3.584 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -8.706 -4.062 4.939 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -8.924 -5.298 7.275 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -6.818 -6.851 3.912 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -7.606 -6.737 8.769 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -5.500 -8.292 5.402 1.00 0.00 H new ATOM 0 HZ PHE A 47 -5.892 -8.240 7.834 1.00 0.00 H new ATOM 698 N PRO A 48 -12.259 -4.528 3.338 1.00 0.00 N ATOM 699 CA PRO A 48 -12.997 -3.745 2.330 1.00 0.00 C ATOM 700 C PRO A 48 -13.018 -2.264 2.689 1.00 0.00 C ATOM 701 O PRO A 48 -13.065 -1.383 1.819 1.00 0.00 O ATOM 702 CB PRO A 48 -14.407 -4.326 2.448 1.00 0.00 C ATOM 703 CG PRO A 48 -14.517 -4.662 3.896 1.00 0.00 C ATOM 704 CD PRO A 48 -13.185 -5.228 4.271 1.00 0.00 C ATOM 0 HA PRO A 48 -12.562 -3.806 1.333 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -15.166 -3.606 2.143 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -14.533 -5.207 1.819 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -14.750 -3.777 4.489 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -15.315 -5.383 4.073 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -12.938 -5.027 5.313 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -13.152 -6.309 4.139 1.00 0.00 H new ATOM 712 N ASN A 49 -12.904 -2.025 3.975 1.00 0.00 N ATOM 713 CA ASN A 49 -13.020 -0.725 4.595 1.00 0.00 C ATOM 714 C ASN A 49 -11.971 0.265 4.126 1.00 0.00 C ATOM 715 O ASN A 49 -12.235 1.464 4.071 1.00 0.00 O ATOM 716 CB ASN A 49 -12.948 -0.864 6.127 1.00 0.00 C ATOM 717 CG ASN A 49 -11.593 -1.370 6.661 1.00 0.00 C ATOM 718 OD1 ASN A 49 -10.883 -2.135 6.000 1.00 0.00 O ATOM 719 ND2 ASN A 49 -11.234 -0.945 7.850 1.00 0.00 N ATOM 0 H ASN A 49 -12.719 -2.767 4.650 1.00 0.00 H new ATOM 0 HA ASN A 49 -13.988 -0.326 4.292 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -13.162 0.105 6.577 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -13.731 -1.548 6.454 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -10.347 -1.246 8.253 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -11.842 -0.314 8.371 1.00 0.00 H new ATOM 726 N LYS A 50 -10.810 -0.206 3.750 1.00 0.00 N ATOM 727 CA LYS A 50 -9.783 0.696 3.350 1.00 0.00 C ATOM 728 C LYS A 50 -9.749 0.943 1.839 1.00 0.00 C ATOM 729 O LYS A 50 -8.821 1.586 1.335 1.00 0.00 O ATOM 730 CB LYS A 50 -8.432 0.286 3.911 1.00 0.00 C ATOM 731 CG LYS A 50 -8.321 0.364 5.448 1.00 0.00 C ATOM 732 CD LYS A 50 -8.719 1.752 5.991 1.00 0.00 C ATOM 733 CE LYS A 50 -8.568 1.848 7.514 1.00 0.00 C ATOM 734 NZ LYS A 50 -7.154 1.917 7.953 1.00 0.00 N ATOM 0 H LYS A 50 -10.562 -1.195 3.715 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.031 1.663 3.788 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.218 -0.735 3.596 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.663 0.922 3.472 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.961 -0.397 5.896 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.298 0.138 5.749 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.101 2.515 5.518 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.752 1.964 5.717 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.097 2.732 7.871 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.044 0.983 7.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -7.028 1.341 8.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -6.538 1.554 7.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.903 2.905 8.160 1.00 0.00 H new ATOM 748 N ASN A 51 -10.785 0.458 1.145 1.00 0.00 N ATOM 749 CA ASN A 51 -11.004 0.707 -0.303 1.00 0.00 C ATOM 750 C ASN A 51 -9.836 0.185 -1.160 1.00 0.00 C ATOM 751 O ASN A 51 -9.222 0.927 -1.948 1.00 0.00 O ATOM 752 CB ASN A 51 -11.232 2.213 -0.568 1.00 0.00 C ATOM 753 CG ASN A 51 -11.722 2.520 -1.979 1.00 0.00 C ATOM 754 OD1 ASN A 51 -12.432 1.737 -2.587 1.00 0.00 O ATOM 755 ND2 ASN A 51 -11.335 3.654 -2.504 1.00 0.00 N ATOM 0 H ASN A 51 -11.507 -0.125 1.568 1.00 0.00 H new ATOM 0 HA ASN A 51 -11.898 0.156 -0.594 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -11.959 2.593 0.150 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -10.299 2.749 -0.392 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -11.627 3.905 -3.448 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -10.741 4.287 -1.969 1.00 0.00 H new ATOM 762 N LEU A 52 -9.523 -1.078 -1.001 1.00 0.00 N ATOM 763 CA LEU A 52 -8.455 -1.717 -1.756 1.00 0.00 C ATOM 764 C LEU A 52 -8.905 -2.013 -3.174 1.00 0.00 C ATOM 765 O LEU A 52 -9.368 -3.116 -3.470 1.00 0.00 O ATOM 766 CB LEU A 52 -7.968 -3.006 -1.066 1.00 0.00 C ATOM 767 CG LEU A 52 -6.951 -2.870 0.085 1.00 0.00 C ATOM 768 CD1 LEU A 52 -7.421 -1.910 1.151 1.00 0.00 C ATOM 769 CD2 LEU A 52 -6.671 -4.230 0.697 1.00 0.00 C ATOM 0 H LEU A 52 -9.998 -1.699 -0.345 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.617 -1.021 -1.793 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.843 -3.529 -0.679 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -7.526 -3.647 -1.829 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.033 -2.463 -0.339 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.672 -1.847 1.940 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.569 -0.923 0.712 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.362 -2.265 1.571 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.952 -4.123 1.509 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.598 -4.651 1.087 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.262 -4.894 -0.064 1.00 0.00 H new ATOM 781 N LYS A 53 -8.825 -1.025 -4.037 1.00 0.00 N ATOM 782 CA LYS A 53 -9.276 -1.198 -5.395 1.00 0.00 C ATOM 783 C LYS A 53 -8.139 -1.176 -6.346 1.00 0.00 C ATOM 784 O LYS A 53 -7.219 -0.359 -6.215 1.00 0.00 O ATOM 785 CB LYS A 53 -10.279 -0.148 -5.824 1.00 0.00 C ATOM 786 CG LYS A 53 -11.480 0.075 -4.901 1.00 0.00 C ATOM 787 CD LYS A 53 -12.624 -0.945 -5.057 1.00 0.00 C ATOM 788 CE LYS A 53 -12.292 -2.357 -4.587 1.00 0.00 C ATOM 789 NZ LYS A 53 -13.441 -3.263 -4.736 1.00 0.00 N ATOM 0 H LYS A 53 -8.454 -0.099 -3.822 1.00 0.00 H new ATOM 0 HA LYS A 53 -9.766 -2.171 -5.415 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.753 0.800 -5.933 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -10.654 -0.419 -6.811 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.133 0.053 -3.868 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -11.877 1.074 -5.083 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -13.490 -0.586 -4.500 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -12.915 -0.986 -6.107 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -11.448 -2.742 -5.159 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -11.983 -2.330 -3.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -13.178 -4.214 -4.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -14.238 -2.908 -4.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -13.720 -3.308 -5.737 1.00 0.00 H new ATOM 803 N LYS A 54 -8.276 -2.028 -7.337 1.00 0.00 N ATOM 804 CA LYS A 54 -7.319 -2.277 -8.378 1.00 0.00 C ATOM 805 C LYS A 54 -5.890 -2.234 -7.864 1.00 0.00 C ATOM 806 O LYS A 54 -5.573 -2.815 -6.830 1.00 0.00 O ATOM 807 CB LYS A 54 -7.541 -1.335 -9.567 1.00 0.00 C ATOM 808 CG LYS A 54 -8.956 -1.396 -10.132 1.00 0.00 C ATOM 809 CD LYS A 54 -9.037 -0.823 -11.540 1.00 0.00 C ATOM 810 CE LYS A 54 -8.279 -1.710 -12.519 1.00 0.00 C ATOM 811 NZ LYS A 54 -8.382 -1.240 -13.915 1.00 0.00 N ATOM 0 H LYS A 54 -9.115 -2.599 -7.439 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.480 -3.294 -8.737 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.326 -0.313 -9.256 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.832 -1.584 -10.356 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.297 -2.431 -10.142 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.631 -0.845 -9.478 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -10.080 -0.741 -11.846 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.620 0.184 -11.554 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -7.229 -1.748 -12.230 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -8.664 -2.727 -12.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.848 -1.880 -14.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -9.381 -1.229 -14.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.990 -0.280 -13.988 1.00 0.00 H new ATOM 825 N ASN A 55 -5.061 -1.554 -8.573 1.00 0.00 N ATOM 826 CA ASN A 55 -3.673 -1.394 -8.245 1.00 0.00 C ATOM 827 C ASN A 55 -3.446 0.061 -7.907 1.00 0.00 C ATOM 828 O ASN A 55 -2.410 0.647 -8.191 1.00 0.00 O ATOM 829 CB ASN A 55 -2.831 -1.823 -9.450 1.00 0.00 C ATOM 830 CG ASN A 55 -3.047 -0.976 -10.694 1.00 0.00 C ATOM 831 OD1 ASN A 55 -4.146 -0.455 -10.951 1.00 0.00 O ATOM 832 ND2 ASN A 55 -2.027 -0.839 -11.470 1.00 0.00 N ATOM 0 H ASN A 55 -5.332 -1.073 -9.431 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.385 -2.009 -7.392 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -1.777 -1.783 -9.175 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.059 -2.862 -9.687 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -2.107 -0.289 -12.325 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.140 -1.280 -11.229 1.00 0.00 H new ATOM 839 N TYR A 56 -4.435 0.627 -7.277 1.00 0.00 N ATOM 840 CA TYR A 56 -4.421 2.005 -6.921 1.00 0.00 C ATOM 841 C TYR A 56 -3.733 2.211 -5.608 1.00 0.00 C ATOM 842 O TYR A 56 -3.935 1.431 -4.678 1.00 0.00 O ATOM 843 CB TYR A 56 -5.834 2.533 -6.858 1.00 0.00 C ATOM 844 CG TYR A 56 -6.565 2.612 -8.181 1.00 0.00 C ATOM 845 CD1 TYR A 56 -5.910 2.463 -9.420 1.00 0.00 C ATOM 846 CD2 TYR A 56 -7.924 2.861 -8.194 1.00 0.00 C ATOM 847 CE1 TYR A 56 -6.613 2.564 -10.597 1.00 0.00 C ATOM 848 CE2 TYR A 56 -8.619 2.967 -9.366 1.00 0.00 C ATOM 849 CZ TYR A 56 -7.965 2.820 -10.560 1.00 0.00 C ATOM 850 OH TYR A 56 -8.657 2.950 -11.720 1.00 0.00 O ATOM 0 H TYR A 56 -5.282 0.133 -6.995 1.00 0.00 H new ATOM 0 HA TYR A 56 -3.867 2.553 -7.683 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -6.409 1.899 -6.183 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -5.811 3.529 -6.417 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -4.848 2.268 -9.445 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -8.449 2.974 -7.257 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -6.108 2.443 -11.544 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -9.680 3.166 -9.350 1.00 0.00 H new ATOM 0 HH TYR A 56 -9.600 3.128 -11.520 1.00 0.00 H new ATOM 860 N CYS A 57 -2.934 3.261 -5.514 1.00 0.00 N ATOM 861 CA CYS A 57 -2.216 3.536 -4.283 1.00 0.00 C ATOM 862 C CYS A 57 -3.192 3.806 -3.150 1.00 0.00 C ATOM 863 O CYS A 57 -4.105 4.641 -3.275 1.00 0.00 O ATOM 864 CB CYS A 57 -1.270 4.710 -4.442 1.00 0.00 C ATOM 865 SG CYS A 57 -0.099 4.562 -5.825 1.00 0.00 S ATOM 0 H CYS A 57 -2.768 3.929 -6.266 1.00 0.00 H new ATOM 0 HA CYS A 57 -1.623 2.654 -4.043 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -1.859 5.617 -4.578 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -0.706 4.832 -3.518 1.00 0.00 H new ATOM 870 N ARG A 58 -3.033 3.086 -2.074 1.00 0.00 N ATOM 871 CA ARG A 58 -3.894 3.204 -0.928 1.00 0.00 C ATOM 872 C ARG A 58 -3.053 3.293 0.314 1.00 0.00 C ATOM 873 O ARG A 58 -1.844 3.130 0.260 1.00 0.00 O ATOM 874 CB ARG A 58 -4.845 1.981 -0.814 1.00 0.00 C ATOM 875 CG ARG A 58 -5.894 1.854 -1.903 1.00 0.00 C ATOM 876 CD ARG A 58 -6.730 3.118 -1.995 1.00 0.00 C ATOM 877 NE ARG A 58 -7.750 3.046 -3.035 1.00 0.00 N ATOM 878 CZ ARG A 58 -7.748 3.793 -4.144 1.00 0.00 C ATOM 879 NH1 ARG A 58 -6.703 4.569 -4.439 1.00 0.00 N ATOM 880 NH2 ARG A 58 -8.776 3.752 -4.974 1.00 0.00 N ATOM 0 H ARG A 58 -2.293 2.392 -1.966 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.500 4.103 -1.042 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.240 1.074 -0.811 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.353 2.029 0.149 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.410 1.662 -2.860 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.539 1.000 -1.695 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -7.210 3.302 -1.034 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -6.076 3.967 -2.192 1.00 0.00 H new ATOM 0 HE ARG A 58 -8.514 2.383 -2.908 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -5.896 4.596 -3.816 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.711 5.135 -5.288 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -9.573 3.150 -4.769 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -8.772 4.323 -5.819 1.00 0.00 H new ATOM 894 N ASN A 59 -3.678 3.583 1.397 1.00 0.00 N ATOM 895 CA ASN A 59 -3.033 3.543 2.682 1.00 0.00 C ATOM 896 C ASN A 59 -4.005 2.824 3.604 1.00 0.00 C ATOM 897 O ASN A 59 -4.886 3.434 4.190 1.00 0.00 O ATOM 898 CB ASN A 59 -2.669 4.959 3.221 1.00 0.00 C ATOM 899 CG ASN A 59 -1.841 4.906 4.505 1.00 0.00 C ATOM 900 OD1 ASN A 59 -1.914 3.966 5.270 1.00 0.00 O ATOM 901 ND2 ASN A 59 -1.070 5.927 4.758 1.00 0.00 N ATOM 0 H ASN A 59 -4.660 3.858 1.429 1.00 0.00 H new ATOM 0 HA ASN A 59 -2.077 3.024 2.616 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.113 5.502 2.457 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -3.585 5.519 3.407 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.513 5.946 5.612 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.024 6.706 4.101 1.00 0.00 H new ATOM 908 N PRO A 60 -3.945 1.495 3.619 1.00 0.00 N ATOM 909 CA PRO A 60 -4.873 0.687 4.390 1.00 0.00 C ATOM 910 C PRO A 60 -4.411 0.412 5.816 1.00 0.00 C ATOM 911 O PRO A 60 -5.201 0.437 6.764 1.00 0.00 O ATOM 912 CB PRO A 60 -4.904 -0.611 3.588 1.00 0.00 C ATOM 913 CG PRO A 60 -3.519 -0.745 3.020 1.00 0.00 C ATOM 914 CD PRO A 60 -2.986 0.658 2.842 1.00 0.00 C ATOM 0 HA PRO A 60 -5.836 1.182 4.516 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -5.156 -1.461 4.222 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -5.653 -0.570 2.798 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -2.880 -1.320 3.690 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -3.541 -1.275 2.068 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -1.969 0.753 3.224 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -2.960 0.947 1.791 1.00 0.00 H new ATOM 922 N ASP A 61 -3.153 0.192 5.941 1.00 0.00 N ATOM 923 CA ASP A 61 -2.508 -0.228 7.152 1.00 0.00 C ATOM 924 C ASP A 61 -1.967 0.931 7.971 1.00 0.00 C ATOM 925 O ASP A 61 -1.287 0.740 8.996 1.00 0.00 O ATOM 926 CB ASP A 61 -1.429 -1.235 6.799 1.00 0.00 C ATOM 927 CG ASP A 61 -0.538 -0.837 5.643 1.00 0.00 C ATOM 928 OD1 ASP A 61 -0.511 0.359 5.233 1.00 0.00 O ATOM 929 OD2 ASP A 61 0.129 -1.735 5.131 1.00 0.00 O ATOM 0 H ASP A 61 -2.502 0.304 5.164 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.250 -0.699 7.797 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.806 -1.401 7.678 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.905 -2.186 6.561 1.00 0.00 H new ATOM 934 N ARG A 62 -2.293 2.117 7.528 1.00 0.00 N ATOM 935 CA ARG A 62 -1.998 3.371 8.204 1.00 0.00 C ATOM 936 C ARG A 62 -0.495 3.625 8.307 1.00 0.00 C ATOM 937 O ARG A 62 0.086 3.638 9.400 1.00 0.00 O ATOM 938 CB ARG A 62 -2.674 3.485 9.590 1.00 0.00 C ATOM 939 CG ARG A 62 -4.117 2.988 9.636 1.00 0.00 C ATOM 940 CD ARG A 62 -4.827 3.463 10.882 1.00 0.00 C ATOM 941 NE ARG A 62 -5.097 4.896 10.801 1.00 0.00 N ATOM 942 CZ ARG A 62 -5.327 5.720 11.809 1.00 0.00 C ATOM 943 NH1 ARG A 62 -5.332 5.274 13.062 1.00 0.00 N ATOM 944 NH2 ARG A 62 -5.570 7.000 11.546 1.00 0.00 N ATOM 0 H ARG A 62 -2.793 2.250 6.649 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.430 4.152 7.578 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -2.086 2.921 10.314 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -2.653 4.528 9.905 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.652 3.340 8.754 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.129 1.899 9.602 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -5.762 2.917 11.005 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.216 3.251 11.759 1.00 0.00 H new ATOM 0 HE ARG A 62 -5.109 5.305 9.867 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -5.157 4.287 13.253 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -5.511 5.919 13.832 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -5.577 7.330 10.581 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -5.750 7.652 12.309 1.00 0.00 H new ATOM 958 N ASP A 63 0.145 3.700 7.175 1.00 0.00 N ATOM 959 CA ASP A 63 1.534 4.080 7.105 1.00 0.00 C ATOM 960 C ASP A 63 1.626 5.633 7.044 1.00 0.00 C ATOM 961 O ASP A 63 0.652 6.328 7.373 1.00 0.00 O ATOM 962 CB ASP A 63 2.170 3.456 5.877 1.00 0.00 C ATOM 963 CG ASP A 63 3.646 3.503 6.010 1.00 0.00 C ATOM 964 OD1 ASP A 63 4.173 2.792 6.855 1.00 0.00 O ATOM 965 OD2 ASP A 63 4.285 4.291 5.344 1.00 0.00 O ATOM 0 H ASP A 63 -0.280 3.499 6.270 1.00 0.00 H new ATOM 0 HA ASP A 63 2.068 3.725 7.986 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.836 2.424 5.765 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.857 3.991 4.980 1.00 0.00 H new ATOM 970 N LEU A 64 2.750 6.171 6.618 1.00 0.00 N ATOM 971 CA LEU A 64 2.975 7.605 6.589 1.00 0.00 C ATOM 972 C LEU A 64 2.369 8.213 5.337 1.00 0.00 C ATOM 973 O LEU A 64 1.793 9.300 5.366 1.00 0.00 O ATOM 974 CB LEU A 64 4.483 7.894 6.594 1.00 0.00 C ATOM 975 CG LEU A 64 5.293 7.314 7.758 1.00 0.00 C ATOM 976 CD1 LEU A 64 6.769 7.598 7.561 1.00 0.00 C ATOM 977 CD2 LEU A 64 4.823 7.890 9.079 1.00 0.00 C ATOM 0 H LEU A 64 3.541 5.623 6.279 1.00 0.00 H new ATOM 0 HA LEU A 64 2.505 8.043 7.469 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.905 7.514 5.664 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.622 8.975 6.589 1.00 0.00 H new ATOM 0 HG LEU A 64 5.139 6.235 7.779 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.334 7.181 8.395 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.106 7.142 6.630 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.930 8.675 7.517 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.412 7.464 9.892 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.948 8.973 9.069 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.771 7.648 9.228 1.00 0.00 H new ATOM 989 N ARG A 65 2.476 7.496 4.260 1.00 0.00 N ATOM 990 CA ARG A 65 2.063 7.975 2.970 1.00 0.00 C ATOM 991 C ARG A 65 1.472 6.780 2.244 1.00 0.00 C ATOM 992 O ARG A 65 1.903 5.660 2.515 1.00 0.00 O ATOM 993 CB ARG A 65 3.323 8.442 2.222 1.00 0.00 C ATOM 994 CG ARG A 65 3.085 9.319 1.011 1.00 0.00 C ATOM 995 CD ARG A 65 4.275 9.300 0.058 1.00 0.00 C ATOM 996 NE ARG A 65 5.578 9.454 0.716 1.00 0.00 N ATOM 997 CZ ARG A 65 6.747 9.620 0.074 1.00 0.00 C ATOM 998 NH1 ARG A 65 6.767 9.839 -1.250 1.00 0.00 N ATOM 999 NH2 ARG A 65 7.880 9.588 0.755 1.00 0.00 N ATOM 0 H ARG A 65 2.857 6.550 4.249 1.00 0.00 H new ATOM 0 HA ARG A 65 1.345 8.792 3.037 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.957 8.986 2.922 1.00 0.00 H new ATOM 0 HB3 ARG A 65 3.881 7.561 1.905 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.193 8.979 0.485 1.00 0.00 H new ATOM 0 HG3 ARG A 65 2.894 10.342 1.335 1.00 0.00 H new ATOM 0 HD2 ARG A 65 4.269 8.360 -0.494 1.00 0.00 H new ATOM 0 HD3 ARG A 65 4.153 10.100 -0.673 1.00 0.00 H new ATOM 0 HE ARG A 65 5.598 9.434 1.736 1.00 0.00 H new ATOM 0 HH11 ARG A 65 5.892 9.880 -1.773 1.00 0.00 H new ATOM 0 HH12 ARG A 65 7.657 9.964 -1.733 1.00 0.00 H new ATOM 0 HH21 ARG A 65 7.865 9.438 1.764 1.00 0.00 H new ATOM 0 HH22 ARG A 65 8.769 9.714 0.272 1.00 0.00 H new ATOM 1013 N PRO A 66 0.451 6.957 1.372 1.00 0.00 N ATOM 1014 CA PRO A 66 -0.093 5.855 0.581 1.00 0.00 C ATOM 1015 C PRO A 66 0.969 5.181 -0.268 1.00 0.00 C ATOM 1016 O PRO A 66 1.956 5.807 -0.712 1.00 0.00 O ATOM 1017 CB PRO A 66 -1.155 6.531 -0.283 1.00 0.00 C ATOM 1018 CG PRO A 66 -1.587 7.644 0.575 1.00 0.00 C ATOM 1019 CD PRO A 66 -0.305 8.198 1.118 1.00 0.00 C ATOM 0 HA PRO A 66 -0.494 5.054 1.203 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.747 6.882 -1.231 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -1.977 5.856 -0.520 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.139 8.394 0.009 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.244 7.301 1.374 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.199 8.849 0.403 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.459 8.781 2.026 1.00 0.00 H new ATOM 1027 N TRP A 67 0.749 3.943 -0.520 1.00 0.00 N ATOM 1028 CA TRP A 67 1.690 3.103 -1.170 1.00 0.00 C ATOM 1029 C TRP A 67 0.926 1.982 -1.823 1.00 0.00 C ATOM 1030 O TRP A 67 -0.316 1.958 -1.733 1.00 0.00 O ATOM 1031 CB TRP A 67 2.691 2.545 -0.123 1.00 0.00 C ATOM 1032 CG TRP A 67 2.062 1.684 0.955 1.00 0.00 C ATOM 1033 CD1 TRP A 67 1.500 2.100 2.138 1.00 0.00 C ATOM 1034 CD2 TRP A 67 1.949 0.255 0.946 1.00 0.00 C ATOM 1035 NE1 TRP A 67 1.038 1.009 2.838 1.00 0.00 N ATOM 1036 CE2 TRP A 67 1.309 -0.124 2.125 1.00 0.00 C ATOM 1037 CE3 TRP A 67 2.322 -0.740 0.044 1.00 0.00 C ATOM 1038 CZ2 TRP A 67 1.043 -1.440 2.420 1.00 0.00 C ATOM 1039 CZ3 TRP A 67 2.051 -2.052 0.347 1.00 0.00 C ATOM 1040 CH2 TRP A 67 1.417 -2.390 1.526 1.00 0.00 C ATOM 0 H TRP A 67 -0.120 3.469 -0.272 1.00 0.00 H new ATOM 0 HA TRP A 67 2.255 3.654 -1.922 1.00 0.00 H new ATOM 0 HB2 TRP A 67 3.450 1.959 -0.641 1.00 0.00 H new ATOM 0 HB3 TRP A 67 3.204 3.381 0.352 1.00 0.00 H new ATOM 0 HD1 TRP A 67 1.431 3.126 2.468 1.00 0.00 H new ATOM 0 HE1 TRP A 67 0.569 1.041 3.743 1.00 0.00 H new ATOM 0 HE3 TRP A 67 2.817 -0.483 -0.881 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 0.548 -1.711 3.341 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 2.338 -2.829 -0.346 1.00 0.00 H new ATOM 0 HH2 TRP A 67 1.215 -3.429 1.741 1.00 0.00 H new ATOM 1051 N CYS A 68 1.611 1.097 -2.508 1.00 0.00 N ATOM 1052 CA CYS A 68 1.013 -0.036 -3.031 1.00 0.00 C ATOM 1053 C CYS A 68 2.071 -1.054 -3.401 1.00 0.00 C ATOM 1054 O CYS A 68 3.262 -0.841 -3.133 1.00 0.00 O ATOM 1055 CB CYS A 68 0.176 0.327 -4.181 1.00 0.00 C ATOM 1056 SG CYS A 68 1.005 0.826 -5.638 1.00 0.00 S ATOM 0 H CYS A 68 2.609 1.175 -2.702 1.00 0.00 H new ATOM 0 HA CYS A 68 0.366 -0.490 -2.281 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -0.454 -0.528 -4.425 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -0.488 1.135 -3.875 1.00 0.00 H new ATOM 1061 N PHE A 69 1.660 -2.129 -4.014 1.00 0.00 N ATOM 1062 CA PHE A 69 2.551 -3.223 -4.308 1.00 0.00 C ATOM 1063 C PHE A 69 3.124 -3.062 -5.676 1.00 0.00 C ATOM 1064 O PHE A 69 2.512 -2.469 -6.525 1.00 0.00 O ATOM 1065 CB PHE A 69 1.828 -4.562 -4.198 1.00 0.00 C ATOM 1066 CG PHE A 69 1.642 -5.059 -2.796 1.00 0.00 C ATOM 1067 CD1 PHE A 69 0.521 -4.728 -2.062 1.00 0.00 C ATOM 1068 CD2 PHE A 69 2.599 -5.871 -2.215 1.00 0.00 C ATOM 1069 CE1 PHE A 69 0.358 -5.199 -0.772 1.00 0.00 C ATOM 1070 CE2 PHE A 69 2.444 -6.340 -0.931 1.00 0.00 C ATOM 1071 CZ PHE A 69 1.321 -6.002 -0.208 1.00 0.00 C ATOM 0 H PHE A 69 0.699 -2.274 -4.325 1.00 0.00 H new ATOM 0 HA PHE A 69 3.359 -3.211 -3.577 1.00 0.00 H new ATOM 0 HB2 PHE A 69 0.850 -4.471 -4.670 1.00 0.00 H new ATOM 0 HB3 PHE A 69 2.386 -5.309 -4.763 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -0.237 -4.095 -2.500 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.481 -6.141 -2.777 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -0.525 -4.936 -0.208 1.00 0.00 H new ATOM 0 HE2 PHE A 69 3.201 -6.972 -0.491 1.00 0.00 H new ATOM 0 HZ PHE A 69 1.197 -6.367 0.801 1.00 0.00 H new ATOM 1081 N THR A 70 4.281 -3.555 -5.887 1.00 0.00 N ATOM 1082 CA THR A 70 4.885 -3.456 -7.166 1.00 0.00 C ATOM 1083 C THR A 70 4.779 -4.743 -7.954 1.00 0.00 C ATOM 1084 O THR A 70 4.987 -5.861 -7.420 1.00 0.00 O ATOM 1085 CB THR A 70 6.340 -3.081 -7.018 1.00 0.00 C ATOM 1086 OG1 THR A 70 6.781 -3.531 -5.758 1.00 0.00 O ATOM 1087 CG2 THR A 70 6.567 -1.599 -7.141 1.00 0.00 C ATOM 0 H THR A 70 4.840 -4.039 -5.184 1.00 0.00 H new ATOM 0 HA THR A 70 4.348 -2.684 -7.717 1.00 0.00 H new ATOM 0 HB THR A 70 6.903 -3.552 -7.824 1.00 0.00 H new ATOM 0 HG1 THR A 70 7.030 -4.477 -5.817 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.629 -1.383 -7.027 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.231 -1.259 -8.121 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.006 -1.079 -6.365 1.00 0.00 H new ATOM 1095 N THR A 71 4.449 -4.588 -9.214 1.00 0.00 N ATOM 1096 CA THR A 71 4.465 -5.649 -10.161 1.00 0.00 C ATOM 1097 C THR A 71 5.939 -5.884 -10.572 1.00 0.00 C ATOM 1098 O THR A 71 6.288 -6.874 -11.223 1.00 0.00 O ATOM 1099 CB THR A 71 3.634 -5.209 -11.373 1.00 0.00 C ATOM 1100 OG1 THR A 71 2.434 -4.605 -10.877 1.00 0.00 O ATOM 1101 CG2 THR A 71 3.255 -6.389 -12.226 1.00 0.00 C ATOM 0 H THR A 71 4.156 -3.693 -9.607 1.00 0.00 H new ATOM 0 HA THR A 71 4.048 -6.570 -9.754 1.00 0.00 H new ATOM 0 HB THR A 71 4.218 -4.517 -11.980 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.880 -4.311 -11.630 1.00 0.00 H new ATOM 0 HG21 THR A 71 2.667 -6.048 -13.078 1.00 0.00 H new ATOM 0 HG22 THR A 71 4.158 -6.884 -12.583 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.666 -7.091 -11.635 1.00 0.00 H new ATOM 1109 N ASP A 72 6.787 -4.945 -10.146 1.00 0.00 N ATOM 1110 CA ASP A 72 8.215 -4.989 -10.361 1.00 0.00 C ATOM 1111 C ASP A 72 8.800 -6.142 -9.565 1.00 0.00 C ATOM 1112 O ASP A 72 8.528 -6.256 -8.386 1.00 0.00 O ATOM 1113 CB ASP A 72 8.852 -3.681 -9.908 1.00 0.00 C ATOM 1114 CG ASP A 72 10.339 -3.675 -10.115 1.00 0.00 C ATOM 1115 OD1 ASP A 72 10.777 -3.461 -11.261 1.00 0.00 O ATOM 1116 OD2 ASP A 72 11.094 -3.897 -9.155 1.00 0.00 O ATOM 0 H ASP A 72 6.482 -4.119 -9.631 1.00 0.00 H new ATOM 0 HA ASP A 72 8.417 -5.131 -11.423 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.407 -2.852 -10.458 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.633 -3.518 -8.853 1.00 0.00 H new ATOM 1121 N PRO A 73 9.570 -7.019 -10.211 1.00 0.00 N ATOM 1122 CA PRO A 73 10.129 -8.226 -9.586 1.00 0.00 C ATOM 1123 C PRO A 73 10.894 -8.027 -8.273 1.00 0.00 C ATOM 1124 O PRO A 73 10.648 -8.751 -7.296 1.00 0.00 O ATOM 1125 CB PRO A 73 11.052 -8.778 -10.658 1.00 0.00 C ATOM 1126 CG PRO A 73 10.489 -8.300 -11.921 1.00 0.00 C ATOM 1127 CD PRO A 73 9.923 -6.947 -11.641 1.00 0.00 C ATOM 0 HA PRO A 73 9.316 -8.884 -9.279 1.00 0.00 H new ATOM 0 HB2 PRO A 73 12.073 -8.423 -10.521 1.00 0.00 H new ATOM 0 HB3 PRO A 73 11.086 -9.867 -10.628 1.00 0.00 H new ATOM 0 HG2 PRO A 73 11.256 -8.249 -12.694 1.00 0.00 H new ATOM 0 HG3 PRO A 73 9.716 -8.978 -12.284 1.00 0.00 H new ATOM 0 HD2 PRO A 73 10.649 -6.158 -11.837 1.00 0.00 H new ATOM 0 HD3 PRO A 73 9.051 -6.739 -12.261 1.00 0.00 H new ATOM 1135 N ASN A 74 11.785 -7.071 -8.228 1.00 0.00 N ATOM 1136 CA ASN A 74 12.618 -6.901 -7.066 1.00 0.00 C ATOM 1137 C ASN A 74 11.985 -6.018 -6.022 1.00 0.00 C ATOM 1138 O ASN A 74 12.375 -6.060 -4.846 1.00 0.00 O ATOM 1139 CB ASN A 74 14.012 -6.408 -7.431 1.00 0.00 C ATOM 1140 CG ASN A 74 14.059 -5.052 -8.097 1.00 0.00 C ATOM 1141 OD1 ASN A 74 13.973 -4.956 -9.316 1.00 0.00 O ATOM 1142 ND2 ASN A 74 14.238 -4.005 -7.322 1.00 0.00 N ATOM 0 H ASN A 74 11.952 -6.401 -8.979 1.00 0.00 H new ATOM 0 HA ASN A 74 12.722 -7.892 -6.623 1.00 0.00 H new ATOM 0 HB2 ASN A 74 14.616 -6.371 -6.525 1.00 0.00 H new ATOM 0 HB3 ASN A 74 14.476 -7.138 -8.094 1.00 0.00 H new ATOM 0 HD21 ASN A 74 14.310 -3.074 -7.732 1.00 0.00 H new ATOM 0 HD22 ASN A 74 14.305 -4.124 -6.311 1.00 0.00 H new ATOM 1149 N LYS A 75 11.045 -5.207 -6.410 1.00 0.00 N ATOM 1150 CA LYS A 75 10.360 -4.402 -5.443 1.00 0.00 C ATOM 1151 C LYS A 75 9.172 -5.148 -4.916 1.00 0.00 C ATOM 1152 O LYS A 75 8.363 -5.637 -5.680 1.00 0.00 O ATOM 1153 CB LYS A 75 9.921 -3.068 -6.018 1.00 0.00 C ATOM 1154 CG LYS A 75 10.701 -1.873 -5.506 1.00 0.00 C ATOM 1155 CD LYS A 75 10.602 -1.751 -3.995 1.00 0.00 C ATOM 1156 CE LYS A 75 11.080 -0.397 -3.496 1.00 0.00 C ATOM 1157 NZ LYS A 75 12.498 -0.130 -3.810 1.00 0.00 N ATOM 0 H LYS A 75 10.738 -5.086 -7.375 1.00 0.00 H new ATOM 0 HA LYS A 75 11.058 -4.193 -4.632 1.00 0.00 H new ATOM 0 HB2 LYS A 75 10.013 -3.107 -7.103 1.00 0.00 H new ATOM 0 HB3 LYS A 75 8.865 -2.920 -5.792 1.00 0.00 H new ATOM 0 HG2 LYS A 75 11.747 -1.968 -5.797 1.00 0.00 H new ATOM 0 HG3 LYS A 75 10.322 -0.963 -5.971 1.00 0.00 H new ATOM 0 HD2 LYS A 75 9.568 -1.906 -3.687 1.00 0.00 H new ATOM 0 HD3 LYS A 75 11.195 -2.538 -3.529 1.00 0.00 H new ATOM 0 HE2 LYS A 75 10.463 0.385 -3.939 1.00 0.00 H new ATOM 0 HE3 LYS A 75 10.937 -0.343 -2.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 12.778 0.784 -3.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 13.090 -0.885 -3.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 12.626 -0.101 -4.842 1.00 0.00 H new ATOM 1171 N ARG A 76 9.052 -5.244 -3.630 1.00 0.00 N ATOM 1172 CA ARG A 76 7.923 -5.928 -3.062 1.00 0.00 C ATOM 1173 C ARG A 76 6.745 -4.969 -2.996 1.00 0.00 C ATOM 1174 O ARG A 76 5.594 -5.353 -3.218 1.00 0.00 O ATOM 1175 CB ARG A 76 8.279 -6.471 -1.694 1.00 0.00 C ATOM 1176 CG ARG A 76 7.443 -7.672 -1.299 1.00 0.00 C ATOM 1177 CD ARG A 76 7.989 -8.377 -0.069 1.00 0.00 C ATOM 1178 NE ARG A 76 7.217 -9.594 0.215 1.00 0.00 N ATOM 1179 CZ ARG A 76 7.650 -10.678 0.874 1.00 0.00 C ATOM 1180 NH1 ARG A 76 8.871 -10.731 1.363 1.00 0.00 N ATOM 1181 NH2 ARG A 76 6.849 -11.717 1.014 1.00 0.00 N ATOM 0 H ARG A 76 9.713 -4.862 -2.954 1.00 0.00 H new ATOM 0 HA ARG A 76 7.644 -6.776 -3.687 1.00 0.00 H new ATOM 0 HB2 ARG A 76 9.333 -6.749 -1.682 1.00 0.00 H new ATOM 0 HB3 ARG A 76 8.149 -5.684 -0.951 1.00 0.00 H new ATOM 0 HG2 ARG A 76 6.419 -7.351 -1.106 1.00 0.00 H new ATOM 0 HG3 ARG A 76 7.406 -8.375 -2.131 1.00 0.00 H new ATOM 0 HD2 ARG A 76 9.037 -8.633 -0.225 1.00 0.00 H new ATOM 0 HD3 ARG A 76 7.949 -7.706 0.789 1.00 0.00 H new ATOM 0 HE ARG A 76 6.255 -9.616 -0.123 1.00 0.00 H new ATOM 0 HH11 ARG A 76 9.503 -9.940 1.243 1.00 0.00 H new ATOM 0 HH12 ARG A 76 9.185 -11.563 1.862 1.00 0.00 H new ATOM 0 HH21 ARG A 76 5.908 -11.692 0.622 1.00 0.00 H new ATOM 0 HH22 ARG A 76 7.171 -12.546 1.514 1.00 0.00 H new ATOM 1195 N TRP A 77 7.061 -3.716 -2.739 1.00 0.00 N ATOM 1196 CA TRP A 77 6.075 -2.631 -2.693 1.00 0.00 C ATOM 1197 C TRP A 77 6.795 -1.327 -2.758 1.00 0.00 C ATOM 1198 O TRP A 77 8.012 -1.296 -2.591 1.00 0.00 O ATOM 1199 CB TRP A 77 5.224 -2.659 -1.413 1.00 0.00 C ATOM 1200 CG TRP A 77 6.001 -2.464 -0.133 1.00 0.00 C ATOM 1201 CD1 TRP A 77 6.698 -3.403 0.557 1.00 0.00 C ATOM 1202 CD2 TRP A 77 6.150 -1.236 0.605 1.00 0.00 C ATOM 1203 NE1 TRP A 77 7.273 -2.836 1.669 1.00 0.00 N ATOM 1204 CE2 TRP A 77 6.950 -1.514 1.717 1.00 0.00 C ATOM 1205 CE3 TRP A 77 5.683 0.067 0.424 1.00 0.00 C ATOM 1206 CZ2 TRP A 77 7.297 -0.542 2.647 1.00 0.00 C ATOM 1207 CZ3 TRP A 77 6.026 1.029 1.345 1.00 0.00 C ATOM 1208 CH2 TRP A 77 6.827 0.720 2.444 1.00 0.00 C ATOM 0 H TRP A 77 8.016 -3.409 -2.553 1.00 0.00 H new ATOM 0 HA TRP A 77 5.402 -2.762 -3.541 1.00 0.00 H new ATOM 0 HB2 TRP A 77 4.463 -1.881 -1.482 1.00 0.00 H new ATOM 0 HB3 TRP A 77 4.700 -3.614 -1.362 1.00 0.00 H new ATOM 0 HD1 TRP A 77 6.787 -4.441 0.274 1.00 0.00 H new ATOM 0 HE1 TRP A 77 7.851 -3.328 2.351 1.00 0.00 H new ATOM 0 HE3 TRP A 77 5.063 0.315 -0.425 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 7.917 -0.778 3.499 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 5.669 2.040 1.215 1.00 0.00 H new ATOM 0 HH2 TRP A 77 7.080 1.498 3.149 1.00 0.00 H new ATOM 1219 N GLU A 78 6.069 -0.254 -2.930 1.00 0.00 N ATOM 1220 CA GLU A 78 6.700 1.052 -2.933 1.00 0.00 C ATOM 1221 C GLU A 78 5.677 2.118 -2.585 1.00 0.00 C ATOM 1222 O GLU A 78 4.466 1.905 -2.745 1.00 0.00 O ATOM 1223 CB GLU A 78 7.374 1.374 -4.287 1.00 0.00 C ATOM 1224 CG GLU A 78 8.346 2.549 -4.210 1.00 0.00 C ATOM 1225 CD GLU A 78 9.030 2.871 -5.510 1.00 0.00 C ATOM 1226 OE1 GLU A 78 8.418 3.530 -6.360 1.00 0.00 O ATOM 1227 OE2 GLU A 78 10.208 2.504 -5.688 1.00 0.00 O ATOM 0 H GLU A 78 5.058 -0.250 -3.068 1.00 0.00 H new ATOM 0 HA GLU A 78 7.487 1.040 -2.179 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.908 0.491 -4.639 1.00 0.00 H new ATOM 0 HB3 GLU A 78 6.604 1.596 -5.026 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.805 3.432 -3.869 1.00 0.00 H new ATOM 0 HG3 GLU A 78 9.104 2.330 -3.458 1.00 0.00 H new ATOM 1234 N TYR A 79 6.165 3.255 -2.108 1.00 0.00 N ATOM 1235 CA TYR A 79 5.335 4.371 -1.766 1.00 0.00 C ATOM 1236 C TYR A 79 4.818 5.016 -3.011 1.00 0.00 C ATOM 1237 O TYR A 79 5.396 4.866 -4.087 1.00 0.00 O ATOM 1238 CB TYR A 79 6.107 5.412 -0.962 1.00 0.00 C ATOM 1239 CG TYR A 79 6.307 5.088 0.490 1.00 0.00 C ATOM 1240 CD1 TYR A 79 5.352 5.458 1.409 1.00 0.00 C ATOM 1241 CD2 TYR A 79 7.449 4.448 0.950 1.00 0.00 C ATOM 1242 CE1 TYR A 79 5.511 5.210 2.745 1.00 0.00 C ATOM 1243 CE2 TYR A 79 7.619 4.185 2.301 1.00 0.00 C ATOM 1244 CZ TYR A 79 6.642 4.575 3.193 1.00 0.00 C ATOM 1245 OH TYR A 79 6.785 4.321 4.542 1.00 0.00 O ATOM 0 H TYR A 79 7.160 3.417 -1.951 1.00 0.00 H new ATOM 0 HA TYR A 79 4.510 3.998 -1.159 1.00 0.00 H new ATOM 0 HB2 TYR A 79 7.085 5.550 -1.424 1.00 0.00 H new ATOM 0 HB3 TYR A 79 5.582 6.365 -1.035 1.00 0.00 H new ATOM 0 HD1 TYR A 79 4.456 5.956 1.068 1.00 0.00 H new ATOM 0 HD2 TYR A 79 8.214 4.151 0.248 1.00 0.00 H new ATOM 0 HE1 TYR A 79 4.748 5.514 3.446 1.00 0.00 H new ATOM 0 HE2 TYR A 79 8.507 3.680 2.651 1.00 0.00 H new ATOM 0 HH TYR A 79 5.934 4.490 4.999 1.00 0.00 H new ATOM 1255 N CYS A 80 3.759 5.718 -2.879 1.00 0.00 N ATOM 1256 CA CYS A 80 3.191 6.426 -3.972 1.00 0.00 C ATOM 1257 C CYS A 80 3.377 7.888 -3.661 1.00 0.00 C ATOM 1258 O CYS A 80 3.160 8.303 -2.530 1.00 0.00 O ATOM 1259 CB CYS A 80 1.725 6.116 -4.041 1.00 0.00 C ATOM 1260 SG CYS A 80 0.993 6.269 -5.676 1.00 0.00 S ATOM 0 H CYS A 80 3.251 5.822 -2.000 1.00 0.00 H new ATOM 0 HA CYS A 80 3.654 6.155 -4.921 1.00 0.00 H new ATOM 0 HB2 CYS A 80 1.567 5.099 -3.682 1.00 0.00 H new ATOM 0 HB3 CYS A 80 1.196 6.781 -3.359 1.00 0.00 H new ATOM 1265 N ASP A 81 3.771 8.668 -4.612 1.00 0.00 N ATOM 1266 CA ASP A 81 4.061 10.064 -4.325 1.00 0.00 C ATOM 1267 C ASP A 81 2.884 10.941 -4.655 1.00 0.00 C ATOM 1268 O ASP A 81 2.731 11.420 -5.776 1.00 0.00 O ATOM 1269 CB ASP A 81 5.341 10.559 -5.006 1.00 0.00 C ATOM 1270 CG ASP A 81 5.682 11.986 -4.613 1.00 0.00 C ATOM 1271 OD1 ASP A 81 5.921 12.241 -3.413 1.00 0.00 O ATOM 1272 OD2 ASP A 81 5.756 12.868 -5.494 1.00 0.00 O ATOM 0 H ASP A 81 3.903 8.385 -5.583 1.00 0.00 H new ATOM 0 HA ASP A 81 4.243 10.131 -3.252 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.170 9.902 -4.740 1.00 0.00 H new ATOM 0 HB3 ASP A 81 5.222 10.500 -6.088 1.00 0.00 H new ATOM 1277 N ILE A 82 2.026 11.078 -3.694 1.00 0.00 N ATOM 1278 CA ILE A 82 0.831 11.860 -3.819 1.00 0.00 C ATOM 1279 C ILE A 82 0.985 13.094 -2.939 1.00 0.00 C ATOM 1280 O ILE A 82 1.500 12.971 -1.811 1.00 0.00 O ATOM 1281 CB ILE A 82 -0.392 11.035 -3.324 1.00 0.00 C ATOM 1282 CG1 ILE A 82 -0.382 9.650 -3.985 1.00 0.00 C ATOM 1283 CG2 ILE A 82 -1.705 11.768 -3.622 1.00 0.00 C ATOM 1284 CD1 ILE A 82 -1.481 8.727 -3.516 1.00 0.00 C ATOM 0 H ILE A 82 2.137 10.641 -2.779 1.00 0.00 H new ATOM 0 HA ILE A 82 0.673 12.141 -4.860 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.319 10.914 -2.243 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -0.466 9.775 -5.065 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.581 9.176 -3.793 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -2.544 11.170 -3.266 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.706 12.733 -3.115 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -1.800 11.923 -4.697 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.399 7.771 -4.034 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.388 8.567 -2.442 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.450 9.176 -3.733 1.00 0.00 H new ATOM 1494 N ALA B 108 -4.782 -3.523 13.094 1.00 0.00 N ATOM 1495 CA ALA B 108 -3.609 -4.007 13.806 1.00 0.00 C ATOM 1496 C ALA B 108 -2.997 -5.187 13.071 1.00 0.00 C ATOM 1497 O ALA B 108 -1.779 -5.355 13.048 1.00 0.00 O ATOM 1498 CB ALA B 108 -3.961 -4.385 15.216 1.00 0.00 C ATOM 0 HA ALA B 108 -2.873 -3.204 13.846 1.00 0.00 H new ATOM 0 HB1 ALA B 108 -3.069 -4.744 15.730 1.00 0.00 H new ATOM 0 HB2 ALA B 108 -4.355 -3.513 15.739 1.00 0.00 H new ATOM 0 HB3 ALA B 108 -4.715 -5.172 15.204 1.00 0.00 H new ATOM 1504 N GLU B 109 -3.859 -6.000 12.477 1.00 0.00 N ATOM 1505 CA GLU B 109 -3.447 -7.100 11.614 1.00 0.00 C ATOM 1506 C GLU B 109 -2.700 -6.486 10.446 1.00 0.00 C ATOM 1507 O GLU B 109 -1.581 -6.889 10.105 1.00 0.00 O ATOM 1508 CB GLU B 109 -4.698 -7.840 11.113 1.00 0.00 C ATOM 1509 CG GLU B 109 -4.429 -9.032 10.213 1.00 0.00 C ATOM 1510 CD GLU B 109 -3.712 -10.142 10.923 1.00 0.00 C ATOM 1511 OE1 GLU B 109 -4.348 -10.846 11.732 1.00 0.00 O ATOM 1512 OE2 GLU B 109 -2.503 -10.367 10.661 1.00 0.00 O ATOM 0 H GLU B 109 -4.870 -5.915 12.580 1.00 0.00 H new ATOM 0 HA GLU B 109 -2.813 -7.812 12.143 1.00 0.00 H new ATOM 0 HB2 GLU B 109 -5.270 -8.179 11.977 1.00 0.00 H new ATOM 0 HB3 GLU B 109 -5.327 -7.132 10.573 1.00 0.00 H new ATOM 0 HG2 GLU B 109 -5.374 -9.407 9.821 1.00 0.00 H new ATOM 0 HG3 GLU B 109 -3.835 -8.710 9.358 1.00 0.00 H new ATOM 1519 N LEU B 110 -3.322 -5.455 9.889 1.00 0.00 N ATOM 1520 CA LEU B 110 -2.758 -4.657 8.831 1.00 0.00 C ATOM 1521 C LEU B 110 -1.414 -4.082 9.248 1.00 0.00 C ATOM 1522 O LEU B 110 -0.467 -4.158 8.509 1.00 0.00 O ATOM 1523 CB LEU B 110 -3.736 -3.540 8.442 1.00 0.00 C ATOM 1524 CG LEU B 110 -4.943 -3.949 7.591 1.00 0.00 C ATOM 1525 CD1 LEU B 110 -5.910 -2.787 7.436 1.00 0.00 C ATOM 1526 CD2 LEU B 110 -4.485 -4.421 6.221 1.00 0.00 C ATOM 0 H LEU B 110 -4.253 -5.151 10.173 1.00 0.00 H new ATOM 0 HA LEU B 110 -2.591 -5.292 7.961 1.00 0.00 H new ATOM 0 HB2 LEU B 110 -4.106 -3.077 9.357 1.00 0.00 H new ATOM 0 HB3 LEU B 110 -3.181 -2.775 7.900 1.00 0.00 H new ATOM 0 HG LEU B 110 -5.456 -4.766 8.099 1.00 0.00 H new ATOM 0 HD11 LEU B 110 -6.759 -3.099 6.828 1.00 0.00 H new ATOM 0 HD12 LEU B 110 -6.262 -2.473 8.419 1.00 0.00 H new ATOM 0 HD13 LEU B 110 -5.403 -1.954 6.950 1.00 0.00 H new ATOM 0 HD21 LEU B 110 -5.352 -4.709 5.627 1.00 0.00 H new ATOM 0 HD22 LEU B 110 -3.951 -3.615 5.718 1.00 0.00 H new ATOM 0 HD23 LEU B 110 -3.822 -5.279 6.335 1.00 0.00 H new ATOM 1538 N GLN B 111 -1.342 -3.558 10.457 1.00 0.00 N ATOM 1539 CA GLN B 111 -0.115 -2.968 10.994 1.00 0.00 C ATOM 1540 C GLN B 111 1.020 -4.004 11.077 1.00 0.00 C ATOM 1541 O GLN B 111 2.165 -3.701 10.770 1.00 0.00 O ATOM 1542 CB GLN B 111 -0.365 -2.371 12.380 1.00 0.00 C ATOM 1543 CG GLN B 111 0.821 -1.607 12.950 1.00 0.00 C ATOM 1544 CD GLN B 111 0.591 -1.153 14.372 1.00 0.00 C ATOM 1545 OE1 GLN B 111 0.925 -1.855 15.318 1.00 0.00 O ATOM 1546 NE2 GLN B 111 0.004 -0.009 14.532 1.00 0.00 N ATOM 0 H GLN B 111 -2.132 -3.526 11.102 1.00 0.00 H new ATOM 0 HA GLN B 111 0.190 -2.176 10.310 1.00 0.00 H new ATOM 0 HB2 GLN B 111 -1.223 -1.701 12.326 1.00 0.00 H new ATOM 0 HB3 GLN B 111 -0.631 -3.174 13.067 1.00 0.00 H new ATOM 0 HG2 GLN B 111 1.708 -2.240 12.914 1.00 0.00 H new ATOM 0 HG3 GLN B 111 1.024 -0.738 12.324 1.00 0.00 H new ATOM 0 HE21 GLN B 111 -0.259 0.547 13.719 1.00 0.00 H new ATOM 0 HE22 GLN B 111 -0.195 0.335 15.471 1.00 0.00 H new ATOM 1555 N ARG B 112 0.692 -5.213 11.474 1.00 0.00 N ATOM 1556 CA ARG B 112 1.670 -6.302 11.628 1.00 0.00 C ATOM 1557 C ARG B 112 2.153 -6.720 10.243 1.00 0.00 C ATOM 1558 O ARG B 112 3.347 -6.907 10.009 1.00 0.00 O ATOM 1559 CB ARG B 112 0.973 -7.458 12.371 1.00 0.00 C ATOM 1560 CG ARG B 112 1.865 -8.510 13.051 1.00 0.00 C ATOM 1561 CD ARG B 112 2.114 -9.758 12.205 1.00 0.00 C ATOM 1562 NE ARG B 112 3.119 -9.577 11.161 1.00 0.00 N ATOM 1563 CZ ARG B 112 3.173 -10.283 10.023 1.00 0.00 C ATOM 1564 NH1 ARG B 112 2.217 -11.147 9.723 1.00 0.00 N ATOM 1565 NH2 ARG B 112 4.173 -10.116 9.199 1.00 0.00 N ATOM 0 H ARG B 112 -0.264 -5.485 11.704 1.00 0.00 H new ATOM 0 HA ARG B 112 2.541 -5.992 12.206 1.00 0.00 H new ATOM 0 HB2 ARG B 112 0.325 -7.025 13.133 1.00 0.00 H new ATOM 0 HB3 ARG B 112 0.328 -7.974 11.659 1.00 0.00 H new ATOM 0 HG2 ARG B 112 2.824 -8.054 13.297 1.00 0.00 H new ATOM 0 HG3 ARG B 112 1.403 -8.808 13.992 1.00 0.00 H new ATOM 0 HD2 ARG B 112 2.427 -10.571 12.859 1.00 0.00 H new ATOM 0 HD3 ARG B 112 1.176 -10.064 11.743 1.00 0.00 H new ATOM 0 HE ARG B 112 3.831 -8.862 11.308 1.00 0.00 H new ATOM 0 HH11 ARG B 112 1.431 -11.280 10.360 1.00 0.00 H new ATOM 0 HH12 ARG B 112 2.266 -11.680 8.855 1.00 0.00 H new ATOM 0 HH21 ARG B 112 4.912 -9.449 9.422 1.00 0.00 H new ATOM 0 HH22 ARG B 112 4.215 -10.653 8.333 1.00 0.00 H new ATOM 1579 N LEU B 113 1.224 -6.822 9.332 1.00 0.00 N ATOM 1580 CA LEU B 113 1.522 -7.144 7.944 1.00 0.00 C ATOM 1581 C LEU B 113 2.314 -6.003 7.280 1.00 0.00 C ATOM 1582 O LEU B 113 3.188 -6.226 6.444 1.00 0.00 O ATOM 1583 CB LEU B 113 0.218 -7.391 7.197 1.00 0.00 C ATOM 1584 CG LEU B 113 -0.595 -8.613 7.620 1.00 0.00 C ATOM 1585 CD1 LEU B 113 -1.951 -8.591 6.940 1.00 0.00 C ATOM 1586 CD2 LEU B 113 0.139 -9.887 7.244 1.00 0.00 C ATOM 0 H LEU B 113 0.231 -6.685 9.522 1.00 0.00 H new ATOM 0 HA LEU B 113 2.136 -8.044 7.908 1.00 0.00 H new ATOM 0 HB2 LEU B 113 -0.411 -6.508 7.310 1.00 0.00 H new ATOM 0 HB3 LEU B 113 0.447 -7.486 6.135 1.00 0.00 H new ATOM 0 HG LEU B 113 -0.731 -8.585 8.701 1.00 0.00 H new ATOM 0 HD11 LEU B 113 -2.526 -9.465 7.246 1.00 0.00 H new ATOM 0 HD12 LEU B 113 -2.487 -7.686 7.226 1.00 0.00 H new ATOM 0 HD13 LEU B 113 -1.816 -8.606 5.858 1.00 0.00 H new ATOM 0 HD21 LEU B 113 -0.451 -10.751 7.551 1.00 0.00 H new ATOM 0 HD22 LEU B 113 0.290 -9.915 6.165 1.00 0.00 H new ATOM 0 HD23 LEU B 113 1.106 -9.911 7.746 1.00 0.00 H new ATOM 1598 N LYS B 114 1.987 -4.794 7.648 1.00 0.00 N ATOM 1599 CA LYS B 114 2.677 -3.607 7.188 1.00 0.00 C ATOM 1600 C LYS B 114 4.100 -3.665 7.681 1.00 0.00 C ATOM 1601 O LYS B 114 5.032 -3.419 6.930 1.00 0.00 O ATOM 1602 CB LYS B 114 1.981 -2.397 7.769 1.00 0.00 C ATOM 1603 CG LYS B 114 2.395 -1.038 7.231 1.00 0.00 C ATOM 1604 CD LYS B 114 1.636 0.049 7.950 1.00 0.00 C ATOM 1605 CE LYS B 114 2.220 0.327 9.314 1.00 0.00 C ATOM 1606 NZ LYS B 114 1.435 1.313 10.067 1.00 0.00 N ATOM 0 H LYS B 114 1.219 -4.596 8.289 1.00 0.00 H new ATOM 0 HA LYS B 114 2.669 -3.546 6.100 1.00 0.00 H new ATOM 0 HB2 LYS B 114 0.909 -2.513 7.608 1.00 0.00 H new ATOM 0 HB3 LYS B 114 2.143 -2.398 8.847 1.00 0.00 H new ATOM 0 HG2 LYS B 114 3.467 -0.895 7.365 1.00 0.00 H new ATOM 0 HG3 LYS B 114 2.197 -0.985 6.160 1.00 0.00 H new ATOM 0 HD2 LYS B 114 1.654 0.961 7.354 1.00 0.00 H new ATOM 0 HD3 LYS B 114 0.591 -0.244 8.054 1.00 0.00 H new ATOM 0 HE2 LYS B 114 2.271 -0.603 9.881 1.00 0.00 H new ATOM 0 HE3 LYS B 114 3.242 0.689 9.202 1.00 0.00 H new ATOM 0 HZ1 LYS B 114 1.967 1.610 10.910 1.00 0.00 H new ATOM 0 HZ2 LYS B 114 1.249 2.141 9.466 1.00 0.00 H new ATOM 0 HZ3 LYS B 114 0.532 0.888 10.360 1.00 0.00 H new ATOM 1620 N ASN B 115 4.239 -4.036 8.947 1.00 0.00 N ATOM 1621 CA ASN B 115 5.526 -4.210 9.628 1.00 0.00 C ATOM 1622 C ASN B 115 6.417 -5.186 8.896 1.00 0.00 C ATOM 1623 O ASN B 115 7.614 -4.994 8.831 1.00 0.00 O ATOM 1624 CB ASN B 115 5.310 -4.657 11.087 1.00 0.00 C ATOM 1625 CG ASN B 115 5.381 -3.516 12.079 1.00 0.00 C ATOM 1626 OD1 ASN B 115 6.450 -3.195 12.592 1.00 0.00 O ATOM 1627 ND2 ASN B 115 4.264 -2.902 12.359 1.00 0.00 N ATOM 0 H ASN B 115 3.440 -4.231 9.550 1.00 0.00 H new ATOM 0 HA ASN B 115 6.032 -3.244 9.631 1.00 0.00 H new ATOM 0 HB2 ASN B 115 4.338 -5.142 11.171 1.00 0.00 H new ATOM 0 HB3 ASN B 115 6.062 -5.402 11.347 1.00 0.00 H new ATOM 0 HD21 ASN B 115 4.260 -2.128 13.023 1.00 0.00 H new ATOM 0 HD22 ASN B 115 3.395 -3.196 11.913 1.00 0.00 H new ATOM 1634 N GLU B 116 5.810 -6.192 8.314 1.00 0.00 N ATOM 1635 CA GLU B 116 6.482 -7.212 7.501 1.00 0.00 C ATOM 1636 C GLU B 116 7.161 -6.545 6.322 1.00 0.00 C ATOM 1637 O GLU B 116 8.374 -6.600 6.165 1.00 0.00 O ATOM 1638 CB GLU B 116 5.398 -8.172 7.024 1.00 0.00 C ATOM 1639 CG GLU B 116 5.813 -9.286 6.111 1.00 0.00 C ATOM 1640 CD GLU B 116 4.618 -10.167 5.759 1.00 0.00 C ATOM 1641 OE1 GLU B 116 4.164 -10.948 6.624 1.00 0.00 O ATOM 1642 OE2 GLU B 116 4.095 -10.075 4.613 1.00 0.00 O ATOM 0 H GLU B 116 4.803 -6.340 8.387 1.00 0.00 H new ATOM 0 HA GLU B 116 7.244 -7.746 8.068 1.00 0.00 H new ATOM 0 HB2 GLU B 116 4.930 -8.614 7.903 1.00 0.00 H new ATOM 0 HB3 GLU B 116 4.632 -7.588 6.515 1.00 0.00 H new ATOM 0 HG2 GLU B 116 6.248 -8.874 5.201 1.00 0.00 H new ATOM 0 HG3 GLU B 116 6.586 -9.887 6.590 1.00 0.00 H new ATOM 1649 N ARG B 117 6.363 -5.916 5.516 1.00 0.00 N ATOM 1650 CA ARG B 117 6.823 -5.136 4.396 1.00 0.00 C ATOM 1651 C ARG B 117 7.748 -4.009 4.800 1.00 0.00 C ATOM 1652 O ARG B 117 8.594 -3.593 4.025 1.00 0.00 O ATOM 1653 CB ARG B 117 5.652 -4.598 3.650 1.00 0.00 C ATOM 1654 CG ARG B 117 4.982 -5.648 2.851 1.00 0.00 C ATOM 1655 CD ARG B 117 3.664 -5.184 2.289 1.00 0.00 C ATOM 1656 NE ARG B 117 2.590 -5.488 3.221 1.00 0.00 N ATOM 1657 CZ ARG B 117 2.124 -6.736 3.405 1.00 0.00 C ATOM 1658 NH1 ARG B 117 2.623 -7.750 2.713 1.00 0.00 N ATOM 1659 NH2 ARG B 117 1.197 -6.971 4.270 1.00 0.00 N ATOM 0 H ARG B 117 5.348 -5.927 5.616 1.00 0.00 H new ATOM 0 HA ARG B 117 7.405 -5.800 3.757 1.00 0.00 H new ATOM 0 HB2 ARG B 117 4.940 -4.166 4.353 1.00 0.00 H new ATOM 0 HB3 ARG B 117 5.979 -3.793 2.992 1.00 0.00 H new ATOM 0 HG2 ARG B 117 5.636 -5.953 2.034 1.00 0.00 H new ATOM 0 HG3 ARG B 117 4.820 -6.528 3.474 1.00 0.00 H new ATOM 0 HD2 ARG B 117 3.698 -4.111 2.098 1.00 0.00 H new ATOM 0 HD3 ARG B 117 3.475 -5.672 1.333 1.00 0.00 H new ATOM 0 HE ARG B 117 2.174 -4.725 3.756 1.00 0.00 H new ATOM 0 HH11 ARG B 117 3.367 -7.587 2.034 1.00 0.00 H new ATOM 0 HH12 ARG B 117 2.263 -8.693 2.859 1.00 0.00 H new ATOM 0 HH21 ARG B 117 0.810 -6.206 4.823 1.00 0.00 H new ATOM 0 HH22 ARG B 117 0.851 -7.922 4.401 1.00 0.00 H new ATOM 1673 N HIS B 118 7.579 -3.511 5.988 1.00 0.00 N ATOM 1674 CA HIS B 118 8.422 -2.464 6.483 1.00 0.00 C ATOM 1675 C HIS B 118 9.762 -2.995 6.861 1.00 0.00 C ATOM 1676 O HIS B 118 10.771 -2.337 6.622 1.00 0.00 O ATOM 1677 CB HIS B 118 7.735 -1.642 7.563 1.00 0.00 C ATOM 1678 CG HIS B 118 6.825 -0.618 6.948 1.00 0.00 C ATOM 1679 ND1 HIS B 118 5.826 -0.961 6.073 1.00 0.00 N ATOM 1680 CD2 HIS B 118 6.844 0.730 6.957 1.00 0.00 C ATOM 1681 CE1 HIS B 118 5.300 0.116 5.568 1.00 0.00 C ATOM 1682 NE2 HIS B 118 5.901 1.145 6.084 1.00 0.00 N ATOM 0 H HIS B 118 6.856 -3.817 6.639 1.00 0.00 H new ATOM 0 HA HIS B 118 8.605 -1.752 5.678 1.00 0.00 H new ATOM 0 HB2 HIS B 118 7.163 -2.298 8.218 1.00 0.00 H new ATOM 0 HB3 HIS B 118 8.483 -1.147 8.182 1.00 0.00 H new ATOM 0 HD1 HIS B 118 5.539 -1.915 5.852 1.00 0.00 H new ATOM 0 HD2 HIS B 118 7.491 1.359 7.550 1.00 0.00 H new ATOM 0 HE1 HIS B 118 4.500 0.149 4.843 1.00 0.00 H new ATOM 0 HE2 HIS B 118 5.692 2.119 5.863 1.00 0.00 H new ATOM 1691 N GLU B 119 9.778 -4.208 7.395 1.00 0.00 N ATOM 1692 CA GLU B 119 11.012 -4.924 7.595 1.00 0.00 C ATOM 1693 C GLU B 119 11.660 -5.135 6.245 1.00 0.00 C ATOM 1694 O GLU B 119 12.775 -4.761 6.053 1.00 0.00 O ATOM 1695 CB GLU B 119 10.793 -6.256 8.333 1.00 0.00 C ATOM 1696 CG GLU B 119 10.513 -6.081 9.790 1.00 0.00 C ATOM 1697 CD GLU B 119 10.270 -7.376 10.515 1.00 0.00 C ATOM 1698 OE1 GLU B 119 9.117 -7.874 10.510 1.00 0.00 O ATOM 1699 OE2 GLU B 119 11.206 -7.922 11.104 1.00 0.00 O ATOM 0 H GLU B 119 8.943 -4.711 7.696 1.00 0.00 H new ATOM 0 HA GLU B 119 11.672 -4.336 8.233 1.00 0.00 H new ATOM 0 HB2 GLU B 119 9.961 -6.788 7.871 1.00 0.00 H new ATOM 0 HB3 GLU B 119 11.678 -6.881 8.212 1.00 0.00 H new ATOM 0 HG2 GLU B 119 11.354 -5.567 10.254 1.00 0.00 H new ATOM 0 HG3 GLU B 119 9.641 -5.438 9.909 1.00 0.00 H new ATOM 1706 N GLU B 120 10.892 -5.648 5.295 1.00 0.00 N ATOM 1707 CA GLU B 120 11.350 -5.859 3.907 1.00 0.00 C ATOM 1708 C GLU B 120 12.006 -4.617 3.301 1.00 0.00 C ATOM 1709 O GLU B 120 13.052 -4.714 2.691 1.00 0.00 O ATOM 1710 CB GLU B 120 10.186 -6.298 3.035 1.00 0.00 C ATOM 1711 CG GLU B 120 9.731 -7.712 3.283 1.00 0.00 C ATOM 1712 CD GLU B 120 10.768 -8.697 2.823 1.00 0.00 C ATOM 1713 OE1 GLU B 120 10.807 -8.986 1.625 1.00 0.00 O ATOM 1714 OE2 GLU B 120 11.545 -9.218 3.637 1.00 0.00 O ATOM 0 H GLU B 120 9.926 -5.935 5.454 1.00 0.00 H new ATOM 0 HA GLU B 120 12.110 -6.640 3.942 1.00 0.00 H new ATOM 0 HB2 GLU B 120 9.346 -5.623 3.202 1.00 0.00 H new ATOM 0 HB3 GLU B 120 10.472 -6.198 1.988 1.00 0.00 H new ATOM 0 HG2 GLU B 120 9.535 -7.854 4.346 1.00 0.00 H new ATOM 0 HG3 GLU B 120 8.793 -7.894 2.759 1.00 0.00 H new ATOM 1721 N ALA B 121 11.393 -3.471 3.488 1.00 0.00 N ATOM 1722 CA ALA B 121 11.929 -2.215 2.969 1.00 0.00 C ATOM 1723 C ALA B 121 13.245 -1.849 3.654 1.00 0.00 C ATOM 1724 O ALA B 121 14.189 -1.421 3.008 1.00 0.00 O ATOM 1725 CB ALA B 121 10.915 -1.094 3.117 1.00 0.00 C ATOM 0 H ALA B 121 10.515 -3.373 3.999 1.00 0.00 H new ATOM 0 HA ALA B 121 12.133 -2.354 1.907 1.00 0.00 H new ATOM 0 HB1 ALA B 121 11.336 -0.168 2.724 1.00 0.00 H new ATOM 0 HB2 ALA B 121 10.011 -1.346 2.563 1.00 0.00 H new ATOM 0 HB3 ALA B 121 10.670 -0.962 4.171 1.00 0.00 H new