USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 438 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 29 SER OG : rot 110:sc= -2.15! USER MOD Set 1.2: A 58 LYS NZ :NH3+ -109:sc= -2.34! (180deg=-5.29!) USER MOD Set 2.1: A 43 ASN : amide:sc= -3.79! C(o=-5.9!,f=-6.4!) USER MOD Set 2.2: A 50 SER OG : rot -87:sc= -2.13! USER MOD Set 3.1: A 18 GLN : amide:sc= -0.459 K(o=-2.9,f=-7.1) USER MOD Set 3.2: A 37 GLN : amide:sc= -1.73 K(o=-2.9,f=-8.6!) USER MOD Set 3.3: A 41 GLN : amide:sc= -0.697 K(o=-2.9,f=-2.4) USER MOD Set 4.1: A 31 MET CE :methyl -112:sc= -11.2! (180deg=-4.88!) USER MOD Set 4.2: A 39 CYS SG : rot 55:sc= -4.53 USER MOD Set 5.1: A 28 GLN : amide:sc= -5.07! C(o=-9!,f=-5.9!) USER MOD Set 5.2: A 47 TYR OH : rot 88:sc= -3.88! USER MOD Single : A 15 SER OG : rot 180:sc= -0.928 USER MOD Single : A 19 GLN : amide:sc= -0.27 X(o=-0.27,f=0) USER MOD Single : A 21 MET CE :methyl -153:sc= -4.08! (180deg=-5.94!) USER MOD Single : A 23 GLN : amide:sc= -0.309 X(o=-0.31,f=-0.039) USER MOD Single : A 26 SER OG : rot -72:sc= 0.463 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -2.53! C(o=-2.5!,f=-5.4!) USER MOD Single : A 36 SER OG : rot 72:sc= -0.791 USER MOD Single : A 38 LYS NZ :NH3+ -155:sc= -0.0954 (180deg=-0.234) USER MOD Single : A 44 ASN : amide:sc= -0.301 X(o=-0.3,f=-0.46) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -1.17 K(o=-1.2,f=-2!) USER MOD Single : A 55 THR OG1 : rot -76:sc= 0.00922 USER MOD Single : A 56 HIS : no HD1:sc= -1.08 K(o=-1.1,f=0.047) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 167:sc= 0 (180deg=-0.211) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 160 N LEU A 14 15.870 0.900 1.730 1.00 0.00 N ATOM 161 CA LEU A 14 14.805 1.783 2.188 1.00 0.00 C ATOM 162 C LEU A 14 15.347 2.834 3.155 1.00 0.00 C ATOM 163 O LEU A 14 16.543 3.125 3.171 1.00 0.00 O ATOM 164 CB LEU A 14 13.692 0.970 2.858 1.00 0.00 C ATOM 165 CG LEU A 14 12.278 1.194 2.305 1.00 0.00 C ATOM 166 CD1 LEU A 14 11.261 0.452 3.147 1.00 0.00 C ATOM 167 CD2 LEU A 14 11.927 2.672 2.226 1.00 0.00 C ATOM 0 HA LEU A 14 14.392 2.298 1.320 1.00 0.00 H new ATOM 0 HB2 LEU A 14 13.935 -0.089 2.765 1.00 0.00 H new ATOM 0 HB3 LEU A 14 13.687 1.204 3.923 1.00 0.00 H new ATOM 0 HG LEU A 14 12.256 0.799 1.289 1.00 0.00 H new ATOM 0 HD11 LEU A 14 10.263 0.620 2.743 1.00 0.00 H new ATOM 0 HD12 LEU A 14 11.484 -0.615 3.131 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.303 0.816 4.173 1.00 0.00 H new ATOM 0 HD21 LEU A 14 10.918 2.786 1.829 1.00 0.00 H new ATOM 0 HD22 LEU A 14 11.977 3.112 3.222 1.00 0.00 H new ATOM 0 HD23 LEU A 14 12.634 3.179 1.570 1.00 0.00 H new ATOM 179 N SER A 15 14.449 3.406 3.947 1.00 0.00 N ATOM 180 CA SER A 15 14.795 4.439 4.914 1.00 0.00 C ATOM 181 C SER A 15 13.517 4.923 5.590 1.00 0.00 C ATOM 182 O SER A 15 12.464 4.327 5.398 1.00 0.00 O ATOM 183 CB SER A 15 15.509 5.593 4.199 1.00 0.00 C ATOM 184 OG SER A 15 14.597 6.616 3.836 1.00 0.00 O ATOM 0 H SER A 15 13.458 3.166 3.937 1.00 0.00 H new ATOM 0 HA SER A 15 15.469 4.041 5.672 1.00 0.00 H new ATOM 0 HB2 SER A 15 16.281 6.005 4.849 1.00 0.00 H new ATOM 0 HB3 SER A 15 16.011 5.217 3.307 1.00 0.00 H new ATOM 0 HG SER A 15 15.080 7.339 3.384 1.00 0.00 H new ATOM 190 N PRO A 16 13.570 6.001 6.385 1.00 0.00 N ATOM 191 CA PRO A 16 12.374 6.527 7.050 1.00 0.00 C ATOM 192 C PRO A 16 11.213 6.693 6.072 1.00 0.00 C ATOM 193 O PRO A 16 10.053 6.681 6.470 1.00 0.00 O ATOM 194 CB PRO A 16 12.840 7.881 7.586 1.00 0.00 C ATOM 195 CG PRO A 16 14.309 7.718 7.782 1.00 0.00 C ATOM 196 CD PRO A 16 14.773 6.789 6.698 1.00 0.00 C ATOM 0 HA PRO A 16 11.997 5.862 7.827 1.00 0.00 H new ATOM 0 HB2 PRO A 16 12.620 8.684 6.882 1.00 0.00 H new ATOM 0 HB3 PRO A 16 12.340 8.131 8.522 1.00 0.00 H new ATOM 0 HG2 PRO A 16 14.820 8.679 7.717 1.00 0.00 H new ATOM 0 HG3 PRO A 16 14.527 7.307 8.768 1.00 0.00 H new ATOM 0 HD2 PRO A 16 15.133 7.336 5.827 1.00 0.00 H new ATOM 0 HD3 PRO A 16 15.592 6.154 7.036 1.00 0.00 H new ATOM 204 N GLU A 17 11.542 6.828 4.785 1.00 0.00 N ATOM 205 CA GLU A 17 10.557 6.973 3.719 1.00 0.00 C ATOM 206 C GLU A 17 9.385 6.029 3.922 1.00 0.00 C ATOM 207 O GLU A 17 8.223 6.390 3.743 1.00 0.00 O ATOM 208 CB GLU A 17 11.282 6.687 2.376 1.00 0.00 C ATOM 209 CG GLU A 17 10.599 5.719 1.378 1.00 0.00 C ATOM 210 CD GLU A 17 10.539 6.290 -0.025 1.00 0.00 C ATOM 211 OE1 GLU A 17 9.775 7.255 -0.241 1.00 0.00 O ATOM 212 OE2 GLU A 17 11.256 5.773 -0.908 1.00 0.00 O ATOM 0 H GLU A 17 12.507 6.839 4.455 1.00 0.00 H new ATOM 0 HA GLU A 17 10.144 7.982 3.719 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.434 7.639 1.868 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.270 6.288 2.607 1.00 0.00 H new ATOM 0 HG2 GLU A 17 11.143 4.775 1.361 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.588 5.499 1.722 1.00 0.00 H new ATOM 219 N GLN A 18 9.731 4.805 4.240 1.00 0.00 N ATOM 220 CA GLN A 18 8.769 3.751 4.415 1.00 0.00 C ATOM 221 C GLN A 18 7.649 4.131 5.345 1.00 0.00 C ATOM 222 O GLN A 18 6.487 4.079 4.983 1.00 0.00 O ATOM 223 CB GLN A 18 9.457 2.509 4.951 1.00 0.00 C ATOM 224 CG GLN A 18 8.572 1.291 4.901 1.00 0.00 C ATOM 225 CD GLN A 18 8.878 0.293 6.001 1.00 0.00 C ATOM 226 OE1 GLN A 18 9.795 -0.520 5.879 1.00 0.00 O ATOM 227 NE2 GLN A 18 8.115 0.353 7.085 1.00 0.00 N ATOM 0 H GLN A 18 10.697 4.513 4.385 1.00 0.00 H new ATOM 0 HA GLN A 18 8.333 3.558 3.435 1.00 0.00 H new ATOM 0 HB2 GLN A 18 10.361 2.321 4.373 1.00 0.00 H new ATOM 0 HB3 GLN A 18 9.768 2.686 5.981 1.00 0.00 H new ATOM 0 HG2 GLN A 18 7.530 1.602 4.979 1.00 0.00 H new ATOM 0 HG3 GLN A 18 8.688 0.804 3.933 1.00 0.00 H new ATOM 0 HE21 GLN A 18 7.366 1.043 7.144 1.00 0.00 H new ATOM 0 HE22 GLN A 18 8.278 -0.291 7.859 1.00 0.00 H new ATOM 236 N GLN A 19 8.003 4.475 6.554 1.00 0.00 N ATOM 237 CA GLN A 19 7.002 4.825 7.549 1.00 0.00 C ATOM 238 C GLN A 19 6.397 6.188 7.269 1.00 0.00 C ATOM 239 O GLN A 19 5.298 6.493 7.732 1.00 0.00 O ATOM 240 CB GLN A 19 7.594 4.780 8.959 1.00 0.00 C ATOM 241 CG GLN A 19 7.143 3.577 9.769 1.00 0.00 C ATOM 242 CD GLN A 19 7.843 3.484 11.112 1.00 0.00 C ATOM 243 OE1 GLN A 19 8.308 2.415 11.510 1.00 0.00 O ATOM 244 NE2 GLN A 19 7.921 4.605 11.817 1.00 0.00 N ATOM 0 H GLN A 19 8.968 4.523 6.881 1.00 0.00 H new ATOM 0 HA GLN A 19 6.205 4.085 7.487 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.682 4.772 8.887 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.316 5.690 9.490 1.00 0.00 H new ATOM 0 HG2 GLN A 19 6.066 3.633 9.928 1.00 0.00 H new ATOM 0 HG3 GLN A 19 7.334 2.667 9.200 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.522 5.468 11.448 1.00 0.00 H new ATOM 0 HE22 GLN A 19 8.380 4.604 12.728 1.00 0.00 H new ATOM 253 N GLU A 20 7.093 6.997 6.488 1.00 0.00 N ATOM 254 CA GLU A 20 6.580 8.301 6.135 1.00 0.00 C ATOM 255 C GLU A 20 5.356 8.117 5.257 1.00 0.00 C ATOM 256 O GLU A 20 4.444 8.944 5.256 1.00 0.00 O ATOM 257 CB GLU A 20 7.643 9.125 5.404 1.00 0.00 C ATOM 258 CG GLU A 20 7.518 10.622 5.636 1.00 0.00 C ATOM 259 CD GLU A 20 6.170 11.168 5.208 1.00 0.00 C ATOM 260 OE1 GLU A 20 6.004 11.463 4.006 1.00 0.00 O ATOM 261 OE2 GLU A 20 5.281 11.303 6.076 1.00 0.00 O ATOM 0 H GLU A 20 8.006 6.773 6.092 1.00 0.00 H new ATOM 0 HA GLU A 20 6.309 8.843 7.041 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.631 8.797 5.727 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.575 8.924 4.335 1.00 0.00 H new ATOM 0 HG2 GLU A 20 7.673 10.836 6.693 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.306 11.138 5.087 1.00 0.00 H new ATOM 268 N MET A 21 5.350 7.020 4.501 1.00 0.00 N ATOM 269 CA MET A 21 4.253 6.719 3.611 1.00 0.00 C ATOM 270 C MET A 21 3.303 5.691 4.198 1.00 0.00 C ATOM 271 O MET A 21 2.172 6.024 4.511 1.00 0.00 O ATOM 272 CB MET A 21 4.824 6.223 2.294 1.00 0.00 C ATOM 273 CG MET A 21 5.382 7.348 1.457 1.00 0.00 C ATOM 274 SD MET A 21 5.417 6.979 -0.302 1.00 0.00 S ATOM 275 CE MET A 21 5.932 8.568 -0.952 1.00 0.00 C ATOM 0 H MET A 21 6.100 6.329 4.494 1.00 0.00 H new ATOM 0 HA MET A 21 3.671 7.627 3.456 1.00 0.00 H new ATOM 0 HB2 MET A 21 5.610 5.495 2.492 1.00 0.00 H new ATOM 0 HB3 MET A 21 4.045 5.707 1.733 1.00 0.00 H new ATOM 0 HG2 MET A 21 4.784 8.244 1.621 1.00 0.00 H new ATOM 0 HG3 MET A 21 6.394 7.574 1.794 1.00 0.00 H new ATOM 0 HE1 MET A 21 5.560 8.682 -1.970 1.00 0.00 H new ATOM 0 HE2 MET A 21 5.529 9.365 -0.327 1.00 0.00 H new ATOM 0 HE3 MET A 21 7.021 8.625 -0.955 1.00 0.00 H new ATOM 285 N LEU A 22 3.775 4.451 4.318 1.00 0.00 N ATOM 286 CA LEU A 22 2.990 3.318 4.840 1.00 0.00 C ATOM 287 C LEU A 22 1.817 3.746 5.722 1.00 0.00 C ATOM 288 O LEU A 22 0.704 3.244 5.565 1.00 0.00 O ATOM 289 CB LEU A 22 3.898 2.365 5.622 1.00 0.00 C ATOM 290 CG LEU A 22 4.077 0.983 4.995 1.00 0.00 C ATOM 291 CD1 LEU A 22 5.285 0.281 5.594 1.00 0.00 C ATOM 292 CD2 LEU A 22 2.822 0.145 5.188 1.00 0.00 C ATOM 0 H LEU A 22 4.726 4.195 4.053 1.00 0.00 H new ATOM 0 HA LEU A 22 2.566 2.814 3.972 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.879 2.828 5.730 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.492 2.242 6.626 1.00 0.00 H new ATOM 0 HG LEU A 22 4.246 1.107 3.925 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.398 -0.702 5.137 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.180 0.874 5.407 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.144 0.167 6.669 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.966 -0.836 4.736 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.623 0.028 6.253 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.976 0.642 4.714 1.00 0.00 H new ATOM 304 N GLN A 23 2.062 4.669 6.645 1.00 0.00 N ATOM 305 CA GLN A 23 1.004 5.138 7.530 1.00 0.00 C ATOM 306 C GLN A 23 -0.105 5.802 6.728 1.00 0.00 C ATOM 307 O GLN A 23 -1.252 5.355 6.749 1.00 0.00 O ATOM 308 CB GLN A 23 1.547 6.121 8.567 1.00 0.00 C ATOM 309 CG GLN A 23 0.461 6.730 9.442 1.00 0.00 C ATOM 310 CD GLN A 23 0.636 8.225 9.631 1.00 0.00 C ATOM 311 OE1 GLN A 23 -0.339 8.977 9.659 1.00 0.00 O ATOM 312 NE2 GLN A 23 1.882 8.662 9.764 1.00 0.00 N ATOM 0 H GLN A 23 2.972 5.103 6.799 1.00 0.00 H new ATOM 0 HA GLN A 23 0.601 4.271 8.052 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.270 5.608 9.201 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.083 6.920 8.055 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -0.513 6.536 8.994 1.00 0.00 H new ATOM 0 HG3 GLN A 23 0.467 6.241 10.416 1.00 0.00 H new ATOM 0 HE21 GLN A 23 2.660 8.003 9.734 1.00 0.00 H new ATOM 0 HE22 GLN A 23 2.062 9.657 9.896 1.00 0.00 H new ATOM 321 N ALA A 24 0.240 6.871 6.020 1.00 0.00 N ATOM 322 CA ALA A 24 -0.735 7.586 5.213 1.00 0.00 C ATOM 323 C ALA A 24 -1.200 6.740 4.029 1.00 0.00 C ATOM 324 O ALA A 24 -2.171 7.082 3.358 1.00 0.00 O ATOM 325 CB ALA A 24 -0.147 8.902 4.733 1.00 0.00 C ATOM 0 H ALA A 24 1.183 7.258 5.990 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.607 7.794 5.833 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.884 9.431 4.129 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.125 9.514 5.593 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.741 8.706 4.132 1.00 0.00 H new ATOM 331 N PHE A 25 -0.508 5.627 3.782 1.00 0.00 N ATOM 332 CA PHE A 25 -0.844 4.733 2.691 1.00 0.00 C ATOM 333 C PHE A 25 -1.809 3.651 3.162 1.00 0.00 C ATOM 334 O PHE A 25 -2.497 3.030 2.361 1.00 0.00 O ATOM 335 CB PHE A 25 0.429 4.096 2.137 1.00 0.00 C ATOM 336 CG PHE A 25 0.241 3.419 0.810 1.00 0.00 C ATOM 337 CD1 PHE A 25 -0.471 2.233 0.712 1.00 0.00 C ATOM 338 CD2 PHE A 25 0.779 3.970 -0.339 1.00 0.00 C ATOM 339 CE1 PHE A 25 -0.641 1.612 -0.511 1.00 0.00 C ATOM 340 CE2 PHE A 25 0.612 3.351 -1.562 1.00 0.00 C ATOM 341 CZ PHE A 25 -0.098 2.173 -1.644 1.00 0.00 C ATOM 0 H PHE A 25 0.296 5.327 4.334 1.00 0.00 H new ATOM 0 HA PHE A 25 -1.331 5.308 1.903 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.195 4.865 2.036 1.00 0.00 H new ATOM 0 HB3 PHE A 25 0.802 3.367 2.856 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -0.897 1.790 1.600 1.00 0.00 H new ATOM 0 HD2 PHE A 25 1.335 4.894 -0.279 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.198 0.689 -0.577 1.00 0.00 H new ATOM 0 HE2 PHE A 25 1.037 3.789 -2.453 1.00 0.00 H new ATOM 0 HZ PHE A 25 -0.229 1.689 -2.600 1.00 0.00 H new ATOM 351 N SER A 26 -1.865 3.429 4.469 1.00 0.00 N ATOM 352 CA SER A 26 -2.763 2.427 5.018 1.00 0.00 C ATOM 353 C SER A 26 -4.206 2.879 4.841 1.00 0.00 C ATOM 354 O SER A 26 -5.103 2.065 4.623 1.00 0.00 O ATOM 355 CB SER A 26 -2.463 2.190 6.499 1.00 0.00 C ATOM 356 OG SER A 26 -3.002 3.227 7.301 1.00 0.00 O ATOM 0 H SER A 26 -1.304 3.925 5.161 1.00 0.00 H new ATOM 0 HA SER A 26 -2.612 1.489 4.483 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.880 1.232 6.809 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.385 2.132 6.650 1.00 0.00 H new ATOM 0 HG SER A 26 -2.473 4.043 7.179 1.00 0.00 H new ATOM 362 N THR A 27 -4.417 4.189 4.937 1.00 0.00 N ATOM 363 CA THR A 27 -5.751 4.764 4.788 1.00 0.00 C ATOM 364 C THR A 27 -6.123 4.984 3.316 1.00 0.00 C ATOM 365 O THR A 27 -7.220 5.455 3.019 1.00 0.00 O ATOM 366 CB THR A 27 -5.839 6.090 5.546 1.00 0.00 C ATOM 367 OG1 THR A 27 -5.052 7.082 4.912 1.00 0.00 O ATOM 368 CG2 THR A 27 -5.379 5.988 6.984 1.00 0.00 C ATOM 0 H THR A 27 -3.682 4.872 5.117 1.00 0.00 H new ATOM 0 HA THR A 27 -6.461 4.051 5.207 1.00 0.00 H new ATOM 0 HB THR A 27 -6.895 6.359 5.538 1.00 0.00 H new ATOM 0 HG1 THR A 27 -5.122 7.923 5.410 1.00 0.00 H new ATOM 0 HG21 THR A 27 -5.467 6.963 7.464 1.00 0.00 H new ATOM 0 HG22 THR A 27 -5.999 5.265 7.514 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.339 5.663 7.011 1.00 0.00 H new ATOM 376 N GLN A 28 -5.217 4.645 2.395 1.00 0.00 N ATOM 377 CA GLN A 28 -5.486 4.817 0.965 1.00 0.00 C ATOM 378 C GLN A 28 -6.827 4.198 0.595 1.00 0.00 C ATOM 379 O GLN A 28 -7.840 4.894 0.517 1.00 0.00 O ATOM 380 CB GLN A 28 -4.371 4.178 0.119 1.00 0.00 C ATOM 381 CG GLN A 28 -3.495 5.151 -0.677 1.00 0.00 C ATOM 382 CD GLN A 28 -3.445 6.562 -0.114 1.00 0.00 C ATOM 383 OE1 GLN A 28 -3.448 7.540 -0.860 1.00 0.00 O ATOM 384 NE2 GLN A 28 -3.396 6.671 1.206 1.00 0.00 N ATOM 0 H GLN A 28 -4.300 4.254 2.611 1.00 0.00 H new ATOM 0 HA GLN A 28 -5.517 5.886 0.757 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -3.727 3.597 0.780 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.828 3.476 -0.579 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -2.481 4.755 -0.720 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -3.863 5.196 -1.702 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -3.395 5.833 1.787 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -3.359 7.593 1.641 1.00 0.00 H new ATOM 393 N SER A 29 -6.836 2.886 0.380 1.00 0.00 N ATOM 394 CA SER A 29 -8.067 2.196 0.035 1.00 0.00 C ATOM 395 C SER A 29 -8.704 1.579 1.277 1.00 0.00 C ATOM 396 O SER A 29 -9.902 1.298 1.296 1.00 0.00 O ATOM 397 CB SER A 29 -7.835 1.127 -1.033 1.00 0.00 C ATOM 398 OG SER A 29 -9.025 0.874 -1.757 1.00 0.00 O ATOM 0 H SER A 29 -6.012 2.287 0.438 1.00 0.00 H new ATOM 0 HA SER A 29 -8.752 2.936 -0.380 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.051 1.453 -1.716 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.487 0.207 -0.564 1.00 0.00 H new ATOM 0 HG SER A 29 -8.932 1.219 -2.669 1.00 0.00 H new ATOM 404 N GLY A 30 -7.895 1.378 2.319 1.00 0.00 N ATOM 405 CA GLY A 30 -8.403 0.808 3.553 1.00 0.00 C ATOM 406 C GLY A 30 -7.621 -0.406 4.023 1.00 0.00 C ATOM 407 O GLY A 30 -8.027 -1.075 4.974 1.00 0.00 O ATOM 0 H GLY A 30 -6.900 1.600 2.327 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.381 1.570 4.333 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -9.447 0.527 3.412 1.00 0.00 H new ATOM 411 N MET A 31 -6.505 -0.704 3.362 1.00 0.00 N ATOM 412 CA MET A 31 -5.688 -1.858 3.733 1.00 0.00 C ATOM 413 C MET A 31 -5.105 -1.698 5.135 1.00 0.00 C ATOM 414 O MET A 31 -5.550 -0.852 5.912 1.00 0.00 O ATOM 415 CB MET A 31 -4.564 -2.067 2.715 1.00 0.00 C ATOM 416 CG MET A 31 -3.431 -1.063 2.838 1.00 0.00 C ATOM 417 SD MET A 31 -2.470 -0.916 1.320 1.00 0.00 S ATOM 418 CE MET A 31 -2.092 -2.635 0.989 1.00 0.00 C ATOM 0 H MET A 31 -6.147 -0.167 2.572 1.00 0.00 H new ATOM 0 HA MET A 31 -6.334 -2.736 3.734 1.00 0.00 H new ATOM 0 HB2 MET A 31 -4.161 -3.072 2.835 1.00 0.00 H new ATOM 0 HB3 MET A 31 -4.981 -2.008 1.710 1.00 0.00 H new ATOM 0 HG2 MET A 31 -3.841 -0.088 3.100 1.00 0.00 H new ATOM 0 HG3 MET A 31 -2.772 -1.362 3.654 1.00 0.00 H new ATOM 0 HE1 MET A 31 -1.023 -2.804 1.119 1.00 0.00 H new ATOM 0 HE2 MET A 31 -2.646 -3.269 1.681 1.00 0.00 H new ATOM 0 HE3 MET A 31 -2.376 -2.880 -0.034 1.00 0.00 H new ATOM 428 N ASN A 32 -4.107 -2.521 5.454 1.00 0.00 N ATOM 429 CA ASN A 32 -3.462 -2.475 6.763 1.00 0.00 C ATOM 430 C ASN A 32 -2.279 -1.513 6.760 1.00 0.00 C ATOM 431 O ASN A 32 -2.160 -0.661 5.880 1.00 0.00 O ATOM 432 CB ASN A 32 -2.994 -3.861 7.162 1.00 0.00 C ATOM 433 CG ASN A 32 -3.506 -4.304 8.510 1.00 0.00 C ATOM 434 OD1 ASN A 32 -4.397 -3.687 9.094 1.00 0.00 O ATOM 435 ND2 ASN A 32 -2.929 -5.386 9.005 1.00 0.00 N ATOM 0 H ASN A 32 -3.728 -3.227 4.823 1.00 0.00 H new ATOM 0 HA ASN A 32 -4.194 -2.117 7.487 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -3.317 -4.577 6.406 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -1.904 -3.879 7.172 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -3.218 -5.748 9.914 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -2.195 -5.859 8.478 1.00 0.00 H new ATOM 442 N LEU A 33 -1.401 -1.664 7.746 1.00 0.00 N ATOM 443 CA LEU A 33 -0.219 -0.820 7.855 1.00 0.00 C ATOM 444 C LEU A 33 1.051 -1.608 7.532 1.00 0.00 C ATOM 445 O LEU A 33 2.160 -1.145 7.801 1.00 0.00 O ATOM 446 CB LEU A 33 -0.118 -0.235 9.268 1.00 0.00 C ATOM 447 CG LEU A 33 0.039 1.287 9.341 1.00 0.00 C ATOM 448 CD1 LEU A 33 1.024 1.779 8.291 1.00 0.00 C ATOM 449 CD2 LEU A 33 -1.309 1.969 9.173 1.00 0.00 C ATOM 0 H LEU A 33 -1.487 -2.365 8.482 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.315 -0.010 7.132 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.012 -0.518 9.824 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.731 -0.695 9.773 1.00 0.00 H new ATOM 0 HG LEU A 33 0.435 1.544 10.324 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.120 2.863 8.361 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.997 1.317 8.460 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.662 1.510 7.299 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.179 3.050 9.227 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.733 1.703 8.205 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.983 1.644 9.966 1.00 0.00 H new ATOM 461 N GLU A 34 0.891 -2.806 6.965 1.00 0.00 N ATOM 462 CA GLU A 34 2.039 -3.644 6.629 1.00 0.00 C ATOM 463 C GLU A 34 1.996 -4.135 5.186 1.00 0.00 C ATOM 464 O GLU A 34 3.042 -4.340 4.569 1.00 0.00 O ATOM 465 CB GLU A 34 2.122 -4.836 7.581 1.00 0.00 C ATOM 466 CG GLU A 34 2.078 -4.446 9.049 1.00 0.00 C ATOM 467 CD GLU A 34 3.451 -4.433 9.691 1.00 0.00 C ATOM 468 OE1 GLU A 34 4.431 -4.104 8.989 1.00 0.00 O ATOM 469 OE2 GLU A 34 3.547 -4.749 10.895 1.00 0.00 O ATOM 0 H GLU A 34 -0.015 -3.213 6.731 1.00 0.00 H new ATOM 0 HA GLU A 34 2.929 -3.025 6.738 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.298 -5.517 7.370 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.045 -5.382 7.386 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.627 -3.458 9.145 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.436 -5.143 9.587 1.00 0.00 H new ATOM 476 N TRP A 35 0.801 -4.304 4.634 1.00 0.00 N ATOM 477 CA TRP A 35 0.686 -4.748 3.251 1.00 0.00 C ATOM 478 C TRP A 35 0.897 -3.560 2.326 1.00 0.00 C ATOM 479 O TRP A 35 1.354 -3.710 1.193 1.00 0.00 O ATOM 480 CB TRP A 35 -0.666 -5.413 2.985 1.00 0.00 C ATOM 481 CG TRP A 35 -1.123 -6.297 4.096 1.00 0.00 C ATOM 482 CD1 TRP A 35 -1.564 -5.925 5.324 1.00 0.00 C ATOM 483 CD2 TRP A 35 -1.172 -7.707 4.067 1.00 0.00 C ATOM 484 NE1 TRP A 35 -1.902 -7.026 6.061 1.00 0.00 N ATOM 485 CE2 TRP A 35 -1.661 -8.141 5.307 1.00 0.00 C ATOM 486 CE3 TRP A 35 -0.849 -8.637 3.102 1.00 0.00 C ATOM 487 CZ2 TRP A 35 -1.832 -9.483 5.603 1.00 0.00 C ATOM 488 CZ3 TRP A 35 -1.018 -9.980 3.392 1.00 0.00 C ATOM 489 CH2 TRP A 35 -1.505 -10.391 4.637 1.00 0.00 C ATOM 0 H TRP A 35 -0.086 -4.144 5.111 1.00 0.00 H new ATOM 0 HA TRP A 35 1.453 -5.498 3.059 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -1.415 -4.640 2.815 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -0.600 -5.999 2.069 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -1.638 -4.905 5.670 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -2.271 -7.017 7.012 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -0.472 -8.324 2.140 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -2.210 -9.800 6.564 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.770 -10.721 2.646 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -1.625 -11.445 4.838 1.00 0.00 H new ATOM 500 N SER A 36 0.584 -2.371 2.836 1.00 0.00 N ATOM 501 CA SER A 36 0.759 -1.141 2.083 1.00 0.00 C ATOM 502 C SER A 36 2.214 -0.999 1.634 1.00 0.00 C ATOM 503 O SER A 36 2.491 -0.436 0.577 1.00 0.00 O ATOM 504 CB SER A 36 0.349 0.061 2.938 1.00 0.00 C ATOM 505 OG SER A 36 1.106 1.213 2.610 1.00 0.00 O ATOM 0 H SER A 36 0.206 -2.238 3.774 1.00 0.00 H new ATOM 0 HA SER A 36 0.123 -1.176 1.198 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.711 0.267 2.793 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.486 -0.178 3.993 1.00 0.00 H new ATOM 0 HG SER A 36 0.822 1.553 1.736 1.00 0.00 H new ATOM 511 N GLN A 37 3.138 -1.514 2.447 1.00 0.00 N ATOM 512 CA GLN A 37 4.562 -1.445 2.130 1.00 0.00 C ATOM 513 C GLN A 37 4.837 -2.027 0.747 1.00 0.00 C ATOM 514 O GLN A 37 5.527 -1.415 -0.069 1.00 0.00 O ATOM 515 CB GLN A 37 5.381 -2.197 3.186 1.00 0.00 C ATOM 516 CG GLN A 37 6.845 -2.382 2.808 1.00 0.00 C ATOM 517 CD GLN A 37 7.783 -2.207 3.986 1.00 0.00 C ATOM 518 OE1 GLN A 37 7.346 -2.007 5.119 1.00 0.00 O ATOM 519 NE2 GLN A 37 9.082 -2.282 3.721 1.00 0.00 N ATOM 0 H GLN A 37 2.924 -1.982 3.328 1.00 0.00 H new ATOM 0 HA GLN A 37 4.859 -0.396 2.131 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.324 -1.656 4.130 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.931 -3.176 3.352 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.983 -3.377 2.384 1.00 0.00 H new ATOM 0 HG3 GLN A 37 7.108 -1.665 2.030 1.00 0.00 H new ATOM 0 HE21 GLN A 37 9.399 -2.449 2.766 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.763 -2.172 4.472 1.00 0.00 H new ATOM 528 N LYS A 38 4.294 -3.210 0.490 1.00 0.00 N ATOM 529 CA LYS A 38 4.482 -3.870 -0.798 1.00 0.00 C ATOM 530 C LYS A 38 3.947 -2.993 -1.921 1.00 0.00 C ATOM 531 O LYS A 38 4.447 -3.025 -3.046 1.00 0.00 O ATOM 532 CB LYS A 38 3.780 -5.230 -0.812 1.00 0.00 C ATOM 533 CG LYS A 38 4.071 -6.051 -2.057 1.00 0.00 C ATOM 534 CD LYS A 38 2.794 -6.585 -2.683 1.00 0.00 C ATOM 535 CE LYS A 38 2.762 -6.338 -4.182 1.00 0.00 C ATOM 536 NZ LYS A 38 1.414 -5.910 -4.647 1.00 0.00 N ATOM 0 H LYS A 38 3.721 -3.732 1.153 1.00 0.00 H new ATOM 0 HA LYS A 38 5.549 -4.029 -0.952 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.087 -5.797 0.067 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.704 -5.075 -0.732 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.604 -5.437 -2.783 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.727 -6.883 -1.800 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.712 -7.654 -2.488 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.932 -6.108 -2.216 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.494 -5.573 -4.439 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.054 -7.248 -4.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.300 -6.154 -5.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.684 -6.395 -4.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.316 -4.882 -4.527 1.00 0.00 H new ATOM 550 N CYS A 39 2.930 -2.205 -1.600 1.00 0.00 N ATOM 551 CA CYS A 39 2.319 -1.301 -2.563 1.00 0.00 C ATOM 552 C CYS A 39 3.250 -0.135 -2.861 1.00 0.00 C ATOM 553 O CYS A 39 3.254 0.411 -3.963 1.00 0.00 O ATOM 554 CB CYS A 39 0.998 -0.769 -2.010 1.00 0.00 C ATOM 555 SG CYS A 39 -0.052 -2.038 -1.267 1.00 0.00 S ATOM 0 H CYS A 39 2.508 -2.174 -0.672 1.00 0.00 H new ATOM 0 HA CYS A 39 2.133 -1.851 -3.486 1.00 0.00 H new ATOM 0 HB2 CYS A 39 1.210 -0.004 -1.263 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.448 -0.283 -2.816 1.00 0.00 H new ATOM 0 HG CYS A 39 0.619 -2.678 -0.356 1.00 0.00 H new ATOM 561 N LEU A 40 4.025 0.245 -1.855 1.00 0.00 N ATOM 562 CA LEU A 40 4.955 1.356 -1.975 1.00 0.00 C ATOM 563 C LEU A 40 6.384 0.888 -2.182 1.00 0.00 C ATOM 564 O LEU A 40 7.322 1.655 -2.013 1.00 0.00 O ATOM 565 CB LEU A 40 4.890 2.204 -0.724 1.00 0.00 C ATOM 566 CG LEU A 40 3.552 2.878 -0.490 1.00 0.00 C ATOM 567 CD1 LEU A 40 3.152 2.741 0.951 1.00 0.00 C ATOM 568 CD2 LEU A 40 3.630 4.335 -0.879 1.00 0.00 C ATOM 0 H LEU A 40 4.027 -0.205 -0.940 1.00 0.00 H new ATOM 0 HA LEU A 40 4.662 1.936 -2.850 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.122 1.577 0.137 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.664 2.970 -0.779 1.00 0.00 H new ATOM 0 HG LEU A 40 2.797 2.393 -1.109 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.190 3.228 1.109 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.070 1.685 1.207 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.905 3.211 1.584 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.664 4.810 -0.707 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.391 4.832 -0.277 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.892 4.416 -1.934 1.00 0.00 H new ATOM 580 N GLN A 41 6.550 -0.365 -2.539 1.00 0.00 N ATOM 581 CA GLN A 41 7.882 -0.906 -2.767 1.00 0.00 C ATOM 582 C GLN A 41 8.056 -1.322 -4.228 1.00 0.00 C ATOM 583 O GLN A 41 9.180 -1.444 -4.715 1.00 0.00 O ATOM 584 CB GLN A 41 8.145 -2.091 -1.836 1.00 0.00 C ATOM 585 CG GLN A 41 8.391 -1.684 -0.391 1.00 0.00 C ATOM 586 CD GLN A 41 9.776 -2.065 0.093 1.00 0.00 C ATOM 587 OE1 GLN A 41 10.736 -1.316 -0.083 1.00 0.00 O ATOM 588 NE2 GLN A 41 9.885 -3.237 0.710 1.00 0.00 N ATOM 0 H GLN A 41 5.789 -1.030 -2.679 1.00 0.00 H new ATOM 0 HA GLN A 41 8.610 -0.125 -2.547 1.00 0.00 H new ATOM 0 HB2 GLN A 41 7.292 -2.769 -1.874 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.010 -2.645 -2.201 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.259 -0.606 -0.293 1.00 0.00 H new ATOM 0 HG3 GLN A 41 7.644 -2.156 0.248 1.00 0.00 H new ATOM 0 HE21 GLN A 41 9.062 -3.826 0.834 1.00 0.00 H new ATOM 0 HE22 GLN A 41 10.792 -3.547 1.059 1.00 0.00 H new ATOM 597 N ASP A 42 6.940 -1.524 -4.926 1.00 0.00 N ATOM 598 CA ASP A 42 6.975 -1.908 -6.331 1.00 0.00 C ATOM 599 C ASP A 42 7.067 -0.668 -7.214 1.00 0.00 C ATOM 600 O ASP A 42 7.674 -0.697 -8.285 1.00 0.00 O ATOM 601 CB ASP A 42 5.731 -2.719 -6.695 1.00 0.00 C ATOM 602 CG ASP A 42 6.041 -4.188 -6.907 1.00 0.00 C ATOM 603 OD1 ASP A 42 6.108 -4.932 -5.907 1.00 0.00 O ATOM 604 OD2 ASP A 42 6.214 -4.595 -8.076 1.00 0.00 O ATOM 0 H ASP A 42 6.001 -1.427 -4.539 1.00 0.00 H new ATOM 0 HA ASP A 42 7.856 -2.527 -6.498 1.00 0.00 H new ATOM 0 HB2 ASP A 42 4.990 -2.618 -5.902 1.00 0.00 H new ATOM 0 HB3 ASP A 42 5.286 -2.310 -7.602 1.00 0.00 H new ATOM 609 N ASN A 43 6.468 0.425 -6.748 1.00 0.00 N ATOM 610 CA ASN A 43 6.487 1.683 -7.485 1.00 0.00 C ATOM 611 C ASN A 43 7.552 2.635 -6.934 1.00 0.00 C ATOM 612 O ASN A 43 7.779 3.709 -7.492 1.00 0.00 O ATOM 613 CB ASN A 43 5.111 2.349 -7.449 1.00 0.00 C ATOM 614 CG ASN A 43 3.998 1.391 -7.823 1.00 0.00 C ATOM 615 OD1 ASN A 43 3.478 1.428 -8.939 1.00 0.00 O ATOM 616 ND2 ASN A 43 3.623 0.524 -6.889 1.00 0.00 N ATOM 0 H ASN A 43 5.963 0.464 -5.862 1.00 0.00 H new ATOM 0 HA ASN A 43 6.740 1.456 -8.521 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.927 2.744 -6.450 1.00 0.00 H new ATOM 0 HB3 ASN A 43 5.102 3.197 -8.133 1.00 0.00 H new ATOM 0 HD21 ASN A 43 2.878 -0.145 -7.084 1.00 0.00 H new ATOM 0 HD22 ASN A 43 4.080 0.527 -5.977 1.00 0.00 H new ATOM 623 N ASN A 44 8.222 2.228 -5.850 1.00 0.00 N ATOM 624 CA ASN A 44 9.282 3.029 -5.237 1.00 0.00 C ATOM 625 C ASN A 44 8.737 4.112 -4.309 1.00 0.00 C ATOM 626 O ASN A 44 9.321 5.191 -4.207 1.00 0.00 O ATOM 627 CB ASN A 44 10.174 3.668 -6.308 1.00 0.00 C ATOM 628 CG ASN A 44 11.505 4.133 -5.749 1.00 0.00 C ATOM 629 OD1 ASN A 44 12.207 3.378 -5.075 1.00 0.00 O ATOM 630 ND2 ASN A 44 11.858 5.382 -6.027 1.00 0.00 N ATOM 0 H ASN A 44 8.045 1.341 -5.378 1.00 0.00 H new ATOM 0 HA ASN A 44 9.875 2.343 -4.632 1.00 0.00 H new ATOM 0 HB2 ASN A 44 10.350 2.948 -7.107 1.00 0.00 H new ATOM 0 HB3 ASN A 44 9.653 4.516 -6.752 1.00 0.00 H new ATOM 0 HD21 ASN A 44 12.742 5.752 -5.678 1.00 0.00 H new ATOM 0 HD22 ASN A 44 11.245 5.972 -6.589 1.00 0.00 H new ATOM 637 N TRP A 45 7.639 3.828 -3.611 1.00 0.00 N ATOM 638 CA TRP A 45 7.077 4.793 -2.682 1.00 0.00 C ATOM 639 C TRP A 45 6.644 6.074 -3.379 1.00 0.00 C ATOM 640 O TRP A 45 6.990 7.173 -2.949 1.00 0.00 O ATOM 641 CB TRP A 45 8.093 5.087 -1.577 1.00 0.00 C ATOM 642 CG TRP A 45 8.488 3.835 -0.870 1.00 0.00 C ATOM 643 CD1 TRP A 45 9.472 2.960 -1.236 1.00 0.00 C ATOM 644 CD2 TRP A 45 7.873 3.282 0.296 1.00 0.00 C ATOM 645 NE1 TRP A 45 9.488 1.893 -0.378 1.00 0.00 N ATOM 646 CE2 TRP A 45 8.522 2.075 0.569 1.00 0.00 C ATOM 647 CE3 TRP A 45 6.834 3.686 1.141 1.00 0.00 C ATOM 648 CZ2 TRP A 45 8.161 1.277 1.633 1.00 0.00 C ATOM 649 CZ3 TRP A 45 6.481 2.889 2.194 1.00 0.00 C ATOM 650 CH2 TRP A 45 7.137 1.700 2.431 1.00 0.00 C ATOM 0 H TRP A 45 7.129 2.947 -3.673 1.00 0.00 H new ATOM 0 HA TRP A 45 6.179 4.359 -2.242 1.00 0.00 H new ATOM 0 HB2 TRP A 45 8.976 5.561 -2.006 1.00 0.00 H new ATOM 0 HB3 TRP A 45 7.667 5.793 -0.864 1.00 0.00 H new ATOM 0 HD1 TRP A 45 10.138 3.091 -2.076 1.00 0.00 H new ATOM 0 HE1 TRP A 45 10.118 1.093 -0.437 1.00 0.00 H new ATOM 0 HE3 TRP A 45 6.317 4.617 0.963 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 8.672 0.346 1.829 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 5.678 3.195 2.848 1.00 0.00 H new ATOM 0 HH2 TRP A 45 6.834 1.088 3.268 1.00 0.00 H new ATOM 661 N ASP A 46 5.848 5.929 -4.433 1.00 0.00 N ATOM 662 CA ASP A 46 5.328 7.085 -5.145 1.00 0.00 C ATOM 663 C ASP A 46 4.201 7.671 -4.322 1.00 0.00 C ATOM 664 O ASP A 46 4.049 8.887 -4.205 1.00 0.00 O ATOM 665 CB ASP A 46 4.833 6.694 -6.539 1.00 0.00 C ATOM 666 CG ASP A 46 5.970 6.340 -7.478 1.00 0.00 C ATOM 667 OD1 ASP A 46 7.091 6.849 -7.271 1.00 0.00 O ATOM 668 OD2 ASP A 46 5.739 5.553 -8.420 1.00 0.00 O ATOM 0 H ASP A 46 5.552 5.028 -4.809 1.00 0.00 H new ATOM 0 HA ASP A 46 6.118 7.823 -5.281 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.156 5.844 -6.456 1.00 0.00 H new ATOM 0 HB3 ASP A 46 4.259 7.518 -6.962 1.00 0.00 H new ATOM 673 N TYR A 47 3.438 6.766 -3.719 1.00 0.00 N ATOM 674 CA TYR A 47 2.327 7.104 -2.845 1.00 0.00 C ATOM 675 C TYR A 47 1.019 7.293 -3.599 1.00 0.00 C ATOM 676 O TYR A 47 -0.061 7.140 -3.029 1.00 0.00 O ATOM 677 CB TYR A 47 2.620 8.348 -2.016 1.00 0.00 C ATOM 678 CG TYR A 47 1.661 8.497 -0.873 1.00 0.00 C ATOM 679 CD1 TYR A 47 0.423 9.083 -1.078 1.00 0.00 C ATOM 680 CD2 TYR A 47 1.979 8.036 0.401 1.00 0.00 C ATOM 681 CE1 TYR A 47 -0.480 9.216 -0.050 1.00 0.00 C ATOM 682 CE2 TYR A 47 1.078 8.167 1.440 1.00 0.00 C ATOM 683 CZ TYR A 47 -0.152 8.758 1.208 1.00 0.00 C ATOM 684 OH TYR A 47 -1.053 8.893 2.234 1.00 0.00 O ATOM 0 H TYR A 47 3.579 5.762 -3.827 1.00 0.00 H new ATOM 0 HA TYR A 47 2.210 6.250 -2.178 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.638 8.296 -1.631 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.565 9.230 -2.654 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.162 9.442 -2.063 1.00 0.00 H new ATOM 0 HD2 TYR A 47 2.938 7.572 0.579 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -1.441 9.677 -0.227 1.00 0.00 H new ATOM 0 HE2 TYR A 47 1.332 7.810 2.427 1.00 0.00 H new ATOM 0 HH TYR A 47 -1.646 8.113 2.253 1.00 0.00 H new ATOM 694 N THR A 48 1.111 7.622 -4.874 1.00 0.00 N ATOM 695 CA THR A 48 -0.077 7.825 -5.684 1.00 0.00 C ATOM 696 C THR A 48 -0.207 6.702 -6.703 1.00 0.00 C ATOM 697 O THR A 48 -1.282 6.132 -6.889 1.00 0.00 O ATOM 698 CB THR A 48 -0.018 9.178 -6.396 1.00 0.00 C ATOM 699 OG1 THR A 48 0.020 10.236 -5.456 1.00 0.00 O ATOM 700 CG2 THR A 48 -1.195 9.422 -7.315 1.00 0.00 C ATOM 0 H THR A 48 1.992 7.754 -5.370 1.00 0.00 H new ATOM 0 HA THR A 48 -0.950 7.817 -5.031 1.00 0.00 H new ATOM 0 HB THR A 48 0.891 9.150 -6.997 1.00 0.00 H new ATOM 0 HG1 THR A 48 0.059 11.093 -5.930 1.00 0.00 H new ATOM 0 HG21 THR A 48 -1.091 10.399 -7.788 1.00 0.00 H new ATOM 0 HG22 THR A 48 -1.224 8.648 -8.082 1.00 0.00 H new ATOM 0 HG23 THR A 48 -2.119 9.395 -6.738 1.00 0.00 H new ATOM 708 N ARG A 49 0.910 6.381 -7.348 1.00 0.00 N ATOM 709 CA ARG A 49 0.944 5.315 -8.337 1.00 0.00 C ATOM 710 C ARG A 49 0.953 3.959 -7.640 1.00 0.00 C ATOM 711 O ARG A 49 0.494 2.961 -8.195 1.00 0.00 O ATOM 712 CB ARG A 49 2.177 5.473 -9.240 1.00 0.00 C ATOM 713 CG ARG A 49 2.531 4.231 -10.051 1.00 0.00 C ATOM 714 CD ARG A 49 1.298 3.588 -10.667 1.00 0.00 C ATOM 715 NE ARG A 49 1.412 3.467 -12.117 1.00 0.00 N ATOM 716 CZ ARG A 49 0.420 3.057 -12.901 1.00 0.00 C ATOM 717 NH1 ARG A 49 -0.753 2.733 -12.376 1.00 0.00 N ATOM 718 NH2 ARG A 49 0.600 2.972 -14.213 1.00 0.00 N ATOM 0 H ARG A 49 1.805 6.847 -7.201 1.00 0.00 H new ATOM 0 HA ARG A 49 0.052 5.376 -8.961 1.00 0.00 H new ATOM 0 HB2 ARG A 49 2.005 6.302 -9.926 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.033 5.743 -8.621 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.233 4.500 -10.840 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.035 3.509 -9.409 1.00 0.00 H new ATOM 0 HD2 ARG A 49 1.148 2.600 -10.231 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.418 4.182 -10.421 1.00 0.00 H new ATOM 0 HE ARG A 49 2.302 3.710 -12.553 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -0.896 2.798 -11.368 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -1.513 2.419 -12.980 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.501 3.221 -14.621 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -0.162 2.657 -14.813 1.00 0.00 H new ATOM 732 N SER A 50 1.462 3.935 -6.412 1.00 0.00 N ATOM 733 CA SER A 50 1.508 2.706 -5.637 1.00 0.00 C ATOM 734 C SER A 50 0.100 2.291 -5.262 1.00 0.00 C ATOM 735 O SER A 50 -0.407 1.287 -5.750 1.00 0.00 O ATOM 736 CB SER A 50 2.353 2.897 -4.378 1.00 0.00 C ATOM 737 OG SER A 50 3.728 2.690 -4.647 1.00 0.00 O ATOM 0 H SER A 50 1.846 4.751 -5.936 1.00 0.00 H new ATOM 0 HA SER A 50 1.966 1.924 -6.242 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.204 3.903 -3.986 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.022 2.202 -3.606 1.00 0.00 H new ATOM 0 HG SER A 50 3.939 1.737 -4.558 1.00 0.00 H new ATOM 743 N ALA A 51 -0.525 3.078 -4.398 1.00 0.00 N ATOM 744 CA ALA A 51 -1.886 2.801 -3.966 1.00 0.00 C ATOM 745 C ALA A 51 -2.820 2.612 -5.153 1.00 0.00 C ATOM 746 O ALA A 51 -3.784 1.859 -5.072 1.00 0.00 O ATOM 747 CB ALA A 51 -2.388 3.913 -3.070 1.00 0.00 C ATOM 0 H ALA A 51 -0.111 3.913 -3.983 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.875 1.869 -3.402 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.408 3.693 -2.754 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.745 3.992 -2.193 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.373 4.856 -3.617 1.00 0.00 H new ATOM 753 N GLN A 52 -2.535 3.292 -6.259 1.00 0.00 N ATOM 754 CA GLN A 52 -3.371 3.168 -7.446 1.00 0.00 C ATOM 755 C GLN A 52 -3.331 1.741 -7.973 1.00 0.00 C ATOM 756 O GLN A 52 -4.361 1.174 -8.338 1.00 0.00 O ATOM 757 CB GLN A 52 -2.919 4.148 -8.530 1.00 0.00 C ATOM 758 CG GLN A 52 -3.638 3.961 -9.857 1.00 0.00 C ATOM 759 CD GLN A 52 -3.006 4.759 -10.980 1.00 0.00 C ATOM 760 OE1 GLN A 52 -2.904 4.287 -12.112 1.00 0.00 O ATOM 761 NE2 GLN A 52 -2.575 5.977 -10.670 1.00 0.00 N ATOM 0 H GLN A 52 -1.742 3.926 -6.358 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.397 3.411 -7.171 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -3.082 5.167 -8.178 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.847 4.033 -8.688 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.635 2.904 -10.122 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.681 4.259 -9.746 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -2.680 6.328 -9.718 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -2.139 6.561 -11.384 1.00 0.00 H new ATOM 770 N ALA A 53 -2.139 1.160 -7.992 1.00 0.00 N ATOM 771 CA ALA A 53 -1.970 -0.209 -8.454 1.00 0.00 C ATOM 772 C ALA A 53 -2.422 -1.200 -7.387 1.00 0.00 C ATOM 773 O ALA A 53 -2.714 -2.356 -7.684 1.00 0.00 O ATOM 774 CB ALA A 53 -0.517 -0.459 -8.809 1.00 0.00 C ATOM 0 H ALA A 53 -1.277 1.615 -7.693 1.00 0.00 H new ATOM 0 HA ALA A 53 -2.588 -0.352 -9.341 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.398 -1.486 -9.154 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -0.212 0.227 -9.599 1.00 0.00 H new ATOM 0 HB3 ALA A 53 0.106 -0.298 -7.929 1.00 0.00 H new ATOM 780 N PHE A 54 -2.468 -0.734 -6.142 1.00 0.00 N ATOM 781 CA PHE A 54 -2.869 -1.563 -5.021 1.00 0.00 C ATOM 782 C PHE A 54 -4.384 -1.754 -5.003 1.00 0.00 C ATOM 783 O PHE A 54 -4.879 -2.788 -4.554 1.00 0.00 O ATOM 784 CB PHE A 54 -2.342 -0.929 -3.714 1.00 0.00 C ATOM 785 CG PHE A 54 -3.347 -0.759 -2.599 1.00 0.00 C ATOM 786 CD1 PHE A 54 -3.695 -1.832 -1.796 1.00 0.00 C ATOM 787 CD2 PHE A 54 -3.932 0.474 -2.353 1.00 0.00 C ATOM 788 CE1 PHE A 54 -4.602 -1.679 -0.771 1.00 0.00 C ATOM 789 CE2 PHE A 54 -4.839 0.633 -1.325 1.00 0.00 C ATOM 790 CZ PHE A 54 -5.173 -0.445 -0.533 1.00 0.00 C ATOM 0 H PHE A 54 -2.229 0.224 -5.888 1.00 0.00 H new ATOM 0 HA PHE A 54 -2.434 -2.558 -5.120 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -1.521 -1.542 -3.343 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -1.927 0.050 -3.952 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -3.250 -2.800 -1.975 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -3.675 1.320 -2.973 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -4.867 -2.525 -0.153 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.286 1.599 -1.141 1.00 0.00 H new ATOM 0 HZ PHE A 54 -5.881 -0.324 0.273 1.00 0.00 H new ATOM 800 N THR A 55 -5.120 -0.759 -5.489 1.00 0.00 N ATOM 801 CA THR A 55 -6.569 -0.858 -5.508 1.00 0.00 C ATOM 802 C THR A 55 -7.008 -1.929 -6.496 1.00 0.00 C ATOM 803 O THR A 55 -8.062 -2.545 -6.334 1.00 0.00 O ATOM 804 CB THR A 55 -7.221 0.482 -5.849 1.00 0.00 C ATOM 805 OG1 THR A 55 -7.437 0.601 -7.245 1.00 0.00 O ATOM 806 CG2 THR A 55 -6.418 1.685 -5.405 1.00 0.00 C ATOM 0 H THR A 55 -4.742 0.109 -5.868 1.00 0.00 H new ATOM 0 HA THR A 55 -6.898 -1.139 -4.507 1.00 0.00 H new ATOM 0 HB THR A 55 -8.163 0.479 -5.301 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.587 0.793 -7.692 1.00 0.00 H new ATOM 0 HG21 THR A 55 -6.946 2.597 -5.683 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.287 1.656 -4.323 1.00 0.00 H new ATOM 0 HG23 THR A 55 -5.441 1.669 -5.889 1.00 0.00 H new ATOM 814 N HIS A 56 -6.184 -2.158 -7.514 1.00 0.00 N ATOM 815 CA HIS A 56 -6.480 -3.170 -8.517 1.00 0.00 C ATOM 816 C HIS A 56 -6.444 -4.557 -7.889 1.00 0.00 C ATOM 817 O HIS A 56 -7.130 -5.475 -8.339 1.00 0.00 O ATOM 818 CB HIS A 56 -5.474 -3.091 -9.666 1.00 0.00 C ATOM 819 CG HIS A 56 -5.897 -3.850 -10.886 1.00 0.00 C ATOM 820 ND1 HIS A 56 -6.055 -3.279 -12.128 1.00 0.00 N ATOM 821 CD2 HIS A 56 -6.195 -5.166 -11.037 1.00 0.00 C ATOM 822 CE1 HIS A 56 -6.438 -4.243 -12.978 1.00 0.00 C ATOM 823 NE2 HIS A 56 -6.537 -5.406 -12.365 1.00 0.00 N ATOM 0 H HIS A 56 -5.309 -1.657 -7.664 1.00 0.00 H new ATOM 0 HA HIS A 56 -7.479 -2.985 -8.912 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -5.322 -2.045 -9.933 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -4.513 -3.476 -9.324 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -6.171 -5.908 -10.252 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -6.639 -4.087 -14.028 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -6.808 -6.298 -12.779 1.00 0.00 H new ATOM 831 N LEU A 57 -5.638 -4.698 -6.840 1.00 0.00 N ATOM 832 CA LEU A 57 -5.510 -5.969 -6.138 1.00 0.00 C ATOM 833 C LEU A 57 -6.712 -6.211 -5.236 1.00 0.00 C ATOM 834 O LEU A 57 -7.201 -7.335 -5.119 1.00 0.00 O ATOM 835 CB LEU A 57 -4.235 -5.997 -5.296 1.00 0.00 C ATOM 836 CG LEU A 57 -2.941 -6.162 -6.087 1.00 0.00 C ATOM 837 CD1 LEU A 57 -2.660 -4.906 -6.888 1.00 0.00 C ATOM 838 CD2 LEU A 57 -1.782 -6.475 -5.154 1.00 0.00 C ATOM 0 H LEU A 57 -5.064 -3.946 -6.458 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.461 -6.757 -6.889 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.177 -5.072 -4.722 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.310 -6.813 -4.578 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.055 -6.998 -6.777 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.734 -5.032 -7.450 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.482 -4.724 -7.580 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.561 -4.057 -6.211 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.867 -6.589 -5.736 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.659 -5.660 -4.441 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.988 -7.400 -4.616 1.00 0.00 H new ATOM 850 N LYS A 58 -7.171 -5.147 -4.591 1.00 0.00 N ATOM 851 CA LYS A 58 -8.307 -5.233 -3.681 1.00 0.00 C ATOM 852 C LYS A 58 -9.587 -5.633 -4.410 1.00 0.00 C ATOM 853 O LYS A 58 -10.534 -6.120 -3.792 1.00 0.00 O ATOM 854 CB LYS A 58 -8.523 -3.894 -2.978 1.00 0.00 C ATOM 855 CG LYS A 58 -7.289 -3.353 -2.273 1.00 0.00 C ATOM 856 CD LYS A 58 -7.544 -2.020 -1.549 1.00 0.00 C ATOM 857 CE LYS A 58 -9.021 -1.757 -1.242 1.00 0.00 C ATOM 858 NZ LYS A 58 -9.796 -1.421 -2.469 1.00 0.00 N ATOM 0 H LYS A 58 -6.774 -4.212 -4.681 1.00 0.00 H new ATOM 0 HA LYS A 58 -8.077 -6.004 -2.946 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -8.859 -3.161 -3.712 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.325 -4.005 -2.248 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.938 -4.090 -1.551 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.491 -3.216 -3.003 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -6.981 -2.011 -0.616 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -7.159 -1.205 -2.162 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.455 -2.638 -0.769 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -9.102 -0.939 -0.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -10.055 -0.414 -2.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -9.216 -1.615 -3.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -10.659 -2.000 -2.504 1.00 0.00 H new ATOM 872 N ALA A 59 -9.621 -5.406 -5.718 1.00 0.00 N ATOM 873 CA ALA A 59 -10.805 -5.728 -6.510 1.00 0.00 C ATOM 874 C ALA A 59 -10.504 -6.718 -7.632 1.00 0.00 C ATOM 875 O ALA A 59 -11.226 -6.770 -8.628 1.00 0.00 O ATOM 876 CB ALA A 59 -11.401 -4.456 -7.089 1.00 0.00 C ATOM 0 H ALA A 59 -8.850 -5.004 -6.250 1.00 0.00 H new ATOM 0 HA ALA A 59 -11.522 -6.204 -5.842 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -12.284 -4.703 -7.679 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -11.683 -3.784 -6.278 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -10.665 -3.966 -7.726 1.00 0.00 H new ATOM 882 N LYS A 60 -9.446 -7.500 -7.473 1.00 0.00 N ATOM 883 CA LYS A 60 -9.075 -8.483 -8.488 1.00 0.00 C ATOM 884 C LYS A 60 -7.871 -9.304 -8.047 1.00 0.00 C ATOM 885 O LYS A 60 -7.806 -10.511 -8.279 1.00 0.00 O ATOM 886 CB LYS A 60 -8.760 -7.779 -9.807 1.00 0.00 C ATOM 887 CG LYS A 60 -9.144 -8.586 -11.034 1.00 0.00 C ATOM 888 CD LYS A 60 -8.401 -9.912 -11.084 1.00 0.00 C ATOM 889 CE LYS A 60 -8.173 -10.370 -12.515 1.00 0.00 C ATOM 890 NZ LYS A 60 -6.730 -10.345 -12.883 1.00 0.00 N ATOM 0 H LYS A 60 -8.832 -7.476 -6.659 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.919 -9.158 -8.626 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.283 -6.823 -9.833 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -7.693 -7.560 -9.846 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -10.218 -8.770 -11.028 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -8.924 -8.010 -11.933 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.442 -9.812 -10.576 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.970 -10.669 -10.545 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.562 -11.381 -12.639 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.732 -9.728 -13.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -6.617 -10.664 -13.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -6.365 -9.376 -12.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -6.199 -10.978 -12.251 1.00 0.00 H new ATOM 904 N GLY A 61 -6.919 -8.633 -7.419 1.00 0.00 N ATOM 905 CA GLY A 61 -5.714 -9.299 -6.955 1.00 0.00 C ATOM 906 C GLY A 61 -6.002 -10.424 -5.985 1.00 0.00 C ATOM 907 O GLY A 61 -6.668 -11.399 -6.333 1.00 0.00 O ATOM 0 H GLY A 61 -6.957 -7.633 -7.220 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.170 -9.695 -7.813 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.063 -8.569 -6.474 1.00 0.00 H new ATOM 911 N GLU A 62 -5.494 -10.295 -4.763 1.00 0.00 N ATOM 912 CA GLU A 62 -5.700 -11.320 -3.748 1.00 0.00 C ATOM 913 C GLU A 62 -5.583 -10.747 -2.338 1.00 0.00 C ATOM 914 O GLU A 62 -5.290 -11.477 -1.390 1.00 0.00 O ATOM 915 CB GLU A 62 -4.692 -12.456 -3.932 1.00 0.00 C ATOM 916 CG GLU A 62 -5.070 -13.731 -3.196 1.00 0.00 C ATOM 917 CD GLU A 62 -4.440 -14.966 -3.809 1.00 0.00 C ATOM 918 OE1 GLU A 62 -4.124 -14.934 -5.017 1.00 0.00 O ATOM 919 OE2 GLU A 62 -4.263 -15.965 -3.081 1.00 0.00 O ATOM 0 H GLU A 62 -4.940 -9.496 -4.454 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.711 -11.708 -3.871 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.595 -12.676 -4.995 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.714 -12.122 -3.585 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.762 -13.650 -2.154 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.154 -13.841 -3.200 1.00 0.00 H new ATOM 926 N ILE A 63 -5.818 -9.447 -2.196 1.00 0.00 N ATOM 927 CA ILE A 63 -5.740 -8.808 -0.887 1.00 0.00 C ATOM 928 C ILE A 63 -6.610 -9.555 0.120 1.00 0.00 C ATOM 929 O ILE A 63 -7.835 -9.570 -0.003 1.00 0.00 O ATOM 930 CB ILE A 63 -6.193 -7.325 -0.937 1.00 0.00 C ATOM 931 CG1 ILE A 63 -5.192 -6.490 -1.750 1.00 0.00 C ATOM 932 CG2 ILE A 63 -6.366 -6.751 0.476 1.00 0.00 C ATOM 933 CD1 ILE A 63 -3.993 -6.011 -0.953 1.00 0.00 C ATOM 0 H ILE A 63 -6.062 -8.820 -2.963 1.00 0.00 H new ATOM 0 HA ILE A 63 -4.695 -8.840 -0.579 1.00 0.00 H new ATOM 0 HB ILE A 63 -7.163 -7.280 -1.432 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.840 -7.084 -2.593 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -5.709 -5.624 -2.164 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.684 -5.710 0.410 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.120 -7.327 1.013 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.418 -6.807 1.010 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.335 -5.429 -1.599 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -4.332 -5.388 -0.125 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.449 -6.871 -0.561 1.00 0.00 H new ATOM 945 N PRO A 64 -6.001 -10.164 1.146 1.00 0.00 N ATOM 946 CA PRO A 64 -6.744 -10.877 2.168 1.00 0.00 C ATOM 947 C PRO A 64 -7.256 -9.918 3.238 1.00 0.00 C ATOM 948 O PRO A 64 -6.702 -8.837 3.431 1.00 0.00 O ATOM 949 CB PRO A 64 -5.706 -11.842 2.721 1.00 0.00 C ATOM 950 CG PRO A 64 -4.412 -11.107 2.597 1.00 0.00 C ATOM 951 CD PRO A 64 -4.548 -10.190 1.406 1.00 0.00 C ATOM 0 HA PRO A 64 -7.635 -11.381 1.794 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -5.918 -12.102 3.758 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.689 -12.774 2.156 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -4.202 -10.537 3.502 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -3.584 -11.802 2.458 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.162 -9.194 1.622 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.994 -10.566 0.546 1.00 0.00 H new ATOM 959 N GLU A 65 -8.328 -10.308 3.909 1.00 0.00 N ATOM 960 CA GLU A 65 -8.938 -9.475 4.939 1.00 0.00 C ATOM 961 C GLU A 65 -7.942 -9.107 6.034 1.00 0.00 C ATOM 962 O GLU A 65 -7.970 -7.990 6.544 1.00 0.00 O ATOM 963 CB GLU A 65 -10.152 -10.185 5.525 1.00 0.00 C ATOM 964 CG GLU A 65 -10.735 -9.504 6.754 1.00 0.00 C ATOM 965 CD GLU A 65 -11.808 -10.336 7.428 1.00 0.00 C ATOM 966 OE1 GLU A 65 -11.494 -11.457 7.880 1.00 0.00 O ATOM 967 OE2 GLU A 65 -12.964 -9.868 7.501 1.00 0.00 O ATOM 0 H GLU A 65 -8.798 -11.201 3.759 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.260 -8.543 4.475 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -10.925 -10.253 4.759 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -9.872 -11.205 5.787 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -9.935 -9.303 7.467 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -11.155 -8.540 6.466 1.00 0.00 H new ATOM 974 N VAL A 66 -7.051 -10.041 6.386 1.00 0.00 N ATOM 975 CA VAL A 66 -6.030 -9.799 7.413 1.00 0.00 C ATOM 976 C VAL A 66 -5.472 -8.372 7.308 1.00 0.00 C ATOM 977 O VAL A 66 -5.079 -7.764 8.302 1.00 0.00 O ATOM 978 CB VAL A 66 -4.877 -10.818 7.292 1.00 0.00 C ATOM 979 CG1 VAL A 66 -4.366 -10.863 5.870 1.00 0.00 C ATOM 980 CG2 VAL A 66 -3.739 -10.501 8.250 1.00 0.00 C ATOM 0 H VAL A 66 -7.016 -10.973 5.974 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.507 -9.919 8.386 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.273 -11.797 7.563 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.553 -11.585 5.798 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.175 -11.159 5.202 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.001 -9.877 5.583 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.948 -11.242 8.133 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.343 -9.510 8.029 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.109 -10.524 9.275 1.00 0.00 H new ATOM 990 N ALA A 67 -5.453 -7.846 6.090 1.00 0.00 N ATOM 991 CA ALA A 67 -4.968 -6.497 5.838 1.00 0.00 C ATOM 992 C ALA A 67 -5.990 -5.452 6.278 1.00 0.00 C ATOM 993 O ALA A 67 -5.837 -4.816 7.318 1.00 0.00 O ATOM 994 CB ALA A 67 -4.662 -6.330 4.364 1.00 0.00 C ATOM 0 H ALA A 67 -5.771 -8.339 5.255 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.058 -6.347 6.419 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.299 -5.319 4.180 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.898 -7.049 4.067 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -5.568 -6.502 3.783 1.00 0.00 H new ATOM 1000 N PHE A 68 -7.033 -5.282 5.468 1.00 0.00 N ATOM 1001 CA PHE A 68 -8.091 -4.313 5.753 1.00 0.00 C ATOM 1002 C PHE A 68 -8.487 -4.328 7.227 1.00 0.00 C ATOM 1003 O PHE A 68 -8.338 -3.333 7.936 1.00 0.00 O ATOM 1004 CB PHE A 68 -9.320 -4.614 4.895 1.00 0.00 C ATOM 1005 CG PHE A 68 -9.070 -4.528 3.432 1.00 0.00 C ATOM 1006 CD1 PHE A 68 -8.826 -3.311 2.836 1.00 0.00 C ATOM 1007 CD2 PHE A 68 -9.098 -5.663 2.652 1.00 0.00 C ATOM 1008 CE1 PHE A 68 -8.606 -3.225 1.485 1.00 0.00 C ATOM 1009 CE2 PHE A 68 -8.884 -5.587 1.301 1.00 0.00 C ATOM 1010 CZ PHE A 68 -8.634 -4.366 0.709 1.00 0.00 C ATOM 0 H PHE A 68 -7.169 -5.806 4.604 1.00 0.00 H new ATOM 0 HA PHE A 68 -7.704 -3.323 5.514 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -9.681 -5.614 5.134 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -10.115 -3.917 5.159 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -8.808 -2.415 3.439 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -9.291 -6.622 3.110 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -8.411 -2.266 1.029 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -8.911 -6.483 0.699 1.00 0.00 H new ATOM 0 HZ PHE A 68 -8.461 -4.304 -0.355 1.00 0.00 H new ATOM 1020 N MET A 69 -8.999 -5.467 7.672 1.00 0.00 N ATOM 1021 CA MET A 69 -9.430 -5.632 9.053 1.00 0.00 C ATOM 1022 C MET A 69 -9.969 -7.041 9.276 1.00 0.00 C ATOM 1023 O MET A 69 -10.993 -7.422 8.710 1.00 0.00 O ATOM 1024 CB MET A 69 -10.502 -4.600 9.405 1.00 0.00 C ATOM 1025 CG MET A 69 -9.983 -3.448 10.250 1.00 0.00 C ATOM 1026 SD MET A 69 -10.699 -1.862 9.778 1.00 0.00 S ATOM 1027 CE MET A 69 -12.447 -2.224 9.917 1.00 0.00 C ATOM 0 H MET A 69 -9.127 -6.296 7.092 1.00 0.00 H new ATOM 0 HA MET A 69 -8.568 -5.478 9.703 1.00 0.00 H new ATOM 0 HB2 MET A 69 -10.927 -4.201 8.484 1.00 0.00 H new ATOM 0 HB3 MET A 69 -11.311 -5.097 9.941 1.00 0.00 H new ATOM 0 HG2 MET A 69 -10.204 -3.644 11.299 1.00 0.00 H new ATOM 0 HG3 MET A 69 -8.898 -3.394 10.157 1.00 0.00 H new ATOM 0 HE1 MET A 69 -13.015 -1.294 9.884 1.00 0.00 H new ATOM 0 HE2 MET A 69 -12.753 -2.865 9.090 1.00 0.00 H new ATOM 0 HE3 MET A 69 -12.639 -2.733 10.861 1.00 0.00 H new ATOM 1037 N LYS A 70 -9.267 -7.810 10.097 1.00 0.00 N ATOM 1038 CA LYS A 70 -9.666 -9.181 10.391 1.00 0.00 C ATOM 1039 C LYS A 70 -10.448 -9.254 11.699 1.00 0.00 C ATOM 1040 O LYS A 70 -10.537 -10.358 12.274 1.00 0.00 O ATOM 1041 CB LYS A 70 -8.429 -10.076 10.471 1.00 0.00 C ATOM 1042 CG LYS A 70 -7.302 -9.472 11.295 1.00 0.00 C ATOM 1043 CD LYS A 70 -6.358 -8.664 10.422 1.00 0.00 C ATOM 1044 CE LYS A 70 -5.933 -7.364 11.080 1.00 0.00 C ATOM 1045 NZ LYS A 70 -5.116 -7.598 12.303 1.00 0.00 N ATOM 1046 OXT LYS A 70 -10.966 -8.204 12.137 1.00 0.00 O ATOM 0 H LYS A 70 -8.417 -7.508 10.572 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.314 -9.530 9.587 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -8.711 -11.036 10.903 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -8.066 -10.274 9.462 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -7.719 -8.833 12.073 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.748 -10.266 11.797 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.474 -9.261 10.198 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -6.844 -8.445 9.471 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.359 -6.769 10.369 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.818 -6.784 11.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -4.847 -6.684 12.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.671 -8.144 12.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.258 -8.129 12.051 1.00 0.00 H new