USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 746 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 87 LYS NZ :NH3+ -178:sc= 1.83 (180deg=1.14) USER MOD Set 1.2: A 97 SER OG : rot -125:sc= 0.597 USER MOD Set 2.1: A 55 ASN : amide:sc= 1.8 K(o=3.6,f=-3.3!) USER MOD Set 2.2: A 59 LYS NZ :NH3+ -177:sc= 1.8 (180deg=1.11) USER MOD Set 3.1: A 28 GLN : amide:sc= 0.792 K(o=1.3,f=-0.22) USER MOD Set 3.2: A 37 ASN : amide:sc= 0.484 K(o=1.3,f=-0.87) USER MOD Set 4.1: A 26 TYR OH : rot 180:sc= 0.00318 USER MOD Set 4.2: A 39 THR OG1 : rot -157:sc= 1.3 USER MOD Single : A 12 ASN : amide:sc= -0.0263 X(o=-0.026,f=-0.026) USER MOD Single : A 19 ASN : amide:sc= 0.913 K(o=0.91,f=-1.6) USER MOD Single : A 24 ASN : amide:sc= 1.17 K(o=1.2,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= -0.121 USER MOD Single : A 61 ASN : amide:sc= 0.365 K(o=0.36,f=-6.4!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot -62:sc= 0.108 USER MOD Single : A 69 LYS NZ :NH3+ 177:sc= 1.3 (180deg=1.24) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HE2:sc= 0.352 K(o=0.35,f=-5.3!) USER MOD Single : A 77 ASN : amide:sc= 0.0582 X(o=0.058,f=-0.3) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot -155:sc= 0.0736 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot -10:sc= 0.00321 USER MOD Single : A 98 LYS NZ :NH3+ 173:sc= 0.738 (180deg=0.713) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 180:sc= -0.105 USER MOD ----------------------------------------------------------------- ATOM 173 N VAL A 11 1.169 -16.840 5.062 1.00 0.00 N ATOM 174 CA VAL A 11 1.485 -15.428 4.803 1.00 0.00 C ATOM 175 C VAL A 11 0.347 -14.539 5.296 1.00 0.00 C ATOM 176 O VAL A 11 -0.828 -14.899 5.189 1.00 0.00 O ATOM 177 CB VAL A 11 1.736 -15.144 3.304 1.00 0.00 C ATOM 178 CG1 VAL A 11 2.562 -13.864 3.169 1.00 0.00 C ATOM 179 CG2 VAL A 11 2.496 -16.256 2.577 1.00 0.00 C ATOM 0 HA VAL A 11 2.404 -15.204 5.344 1.00 0.00 H new ATOM 0 HB VAL A 11 0.750 -15.061 2.846 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.743 -13.657 2.114 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.018 -13.031 3.614 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.515 -13.990 3.683 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.632 -15.980 1.531 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.471 -16.396 3.045 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.928 -17.184 2.637 1.00 0.00 H new ATOM 189 N ASN A 12 0.711 -13.371 5.828 1.00 0.00 N ATOM 190 CA ASN A 12 -0.181 -12.371 6.409 1.00 0.00 C ATOM 191 C ASN A 12 0.369 -10.955 6.185 1.00 0.00 C ATOM 192 O ASN A 12 1.545 -10.779 5.859 1.00 0.00 O ATOM 193 CB ASN A 12 -0.282 -12.624 7.924 1.00 0.00 C ATOM 194 CG ASN A 12 -1.014 -13.905 8.280 1.00 0.00 C ATOM 195 OD1 ASN A 12 -0.426 -14.957 8.488 1.00 0.00 O ATOM 196 ND2 ASN A 12 -2.323 -13.861 8.368 1.00 0.00 N ATOM 0 H ASN A 12 1.689 -13.084 5.866 1.00 0.00 H new ATOM 0 HA ASN A 12 -1.158 -12.450 5.932 1.00 0.00 H new ATOM 0 HB2 ASN A 12 0.723 -12.661 8.345 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -0.793 -11.782 8.391 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -2.846 -14.703 8.609 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -2.817 -12.985 8.195 1.00 0.00 H new ATOM 203 N LEU A 13 -0.454 -9.939 6.463 1.00 0.00 N ATOM 204 CA LEU A 13 -0.050 -8.529 6.439 1.00 0.00 C ATOM 205 C LEU A 13 1.205 -8.225 7.262 1.00 0.00 C ATOM 206 O LEU A 13 2.055 -7.460 6.819 1.00 0.00 O ATOM 207 CB LEU A 13 -1.213 -7.651 6.934 1.00 0.00 C ATOM 208 CG LEU A 13 -1.889 -6.856 5.813 1.00 0.00 C ATOM 209 CD1 LEU A 13 -2.989 -5.996 6.446 1.00 0.00 C ATOM 210 CD2 LEU A 13 -0.912 -5.920 5.106 1.00 0.00 C ATOM 0 H LEU A 13 -1.433 -10.074 6.715 1.00 0.00 H new ATOM 0 HA LEU A 13 0.200 -8.302 5.403 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.955 -8.283 7.421 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.841 -6.958 7.689 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.281 -7.561 5.079 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.490 -5.417 5.670 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.714 -6.641 6.943 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.546 -5.318 7.176 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.434 -5.376 4.319 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.502 -5.211 5.825 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.102 -6.503 4.668 1.00 0.00 H new ATOM 222 N ASP A 14 1.356 -8.844 8.431 1.00 0.00 N ATOM 223 CA ASP A 14 2.541 -8.666 9.276 1.00 0.00 C ATOM 224 C ASP A 14 3.849 -9.034 8.556 1.00 0.00 C ATOM 225 O ASP A 14 4.878 -8.399 8.787 1.00 0.00 O ATOM 226 CB ASP A 14 2.396 -9.509 10.545 1.00 0.00 C ATOM 227 CG ASP A 14 1.274 -8.991 11.457 1.00 0.00 C ATOM 228 OD1 ASP A 14 1.537 -8.092 12.292 1.00 0.00 O ATOM 229 OD2 ASP A 14 0.126 -9.483 11.340 1.00 0.00 O ATOM 0 H ASP A 14 0.663 -9.483 8.821 1.00 0.00 H new ATOM 0 HA ASP A 14 2.602 -7.607 9.526 1.00 0.00 H new ATOM 0 HB2 ASP A 14 2.191 -10.544 10.271 1.00 0.00 H new ATOM 0 HB3 ASP A 14 3.339 -9.505 11.092 1.00 0.00 H new ATOM 234 N GLU A 15 3.812 -10.016 7.649 1.00 0.00 N ATOM 235 CA GLU A 15 4.943 -10.367 6.786 1.00 0.00 C ATOM 236 C GLU A 15 5.075 -9.401 5.592 1.00 0.00 C ATOM 237 O GLU A 15 6.187 -9.127 5.168 1.00 0.00 O ATOM 238 CB GLU A 15 4.793 -11.827 6.319 1.00 0.00 C ATOM 239 CG GLU A 15 6.047 -12.409 5.641 1.00 0.00 C ATOM 240 CD GLU A 15 7.284 -12.579 6.549 1.00 0.00 C ATOM 241 OE1 GLU A 15 7.152 -12.671 7.793 1.00 0.00 O ATOM 242 OE2 GLU A 15 8.412 -12.650 5.998 1.00 0.00 O ATOM 0 H GLU A 15 2.987 -10.595 7.492 1.00 0.00 H new ATOM 0 HA GLU A 15 5.864 -10.271 7.361 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.539 -12.447 7.179 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.956 -11.889 5.623 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.791 -13.382 5.221 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.319 -11.763 4.806 1.00 0.00 H new ATOM 249 N ILE A 16 3.977 -8.831 5.076 1.00 0.00 N ATOM 250 CA ILE A 16 3.978 -7.905 3.914 1.00 0.00 C ATOM 251 C ILE A 16 4.891 -6.697 4.151 1.00 0.00 C ATOM 252 O ILE A 16 5.852 -6.496 3.410 1.00 0.00 O ATOM 253 CB ILE A 16 2.523 -7.541 3.475 1.00 0.00 C ATOM 254 CG1 ILE A 16 1.825 -8.772 2.856 1.00 0.00 C ATOM 255 CG2 ILE A 16 2.399 -6.364 2.500 1.00 0.00 C ATOM 256 CD1 ILE A 16 2.497 -9.300 1.568 1.00 0.00 C ATOM 0 H ILE A 16 3.044 -8.997 5.454 1.00 0.00 H new ATOM 0 HA ILE A 16 4.415 -8.423 3.060 1.00 0.00 H new ATOM 0 HB ILE A 16 2.037 -7.221 4.397 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.802 -9.573 3.595 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.790 -8.515 2.633 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.348 -6.198 2.262 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.814 -5.466 2.959 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.947 -6.590 1.585 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.946 -10.164 1.198 1.00 0.00 H new ATOM 0 HD12 ILE A 16 2.496 -8.517 0.810 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.524 -9.592 1.787 1.00 0.00 H new ATOM 268 N LEU A 17 4.675 -5.948 5.231 1.00 0.00 N ATOM 269 CA LEU A 17 5.505 -4.786 5.596 1.00 0.00 C ATOM 270 C LEU A 17 6.912 -5.210 6.053 1.00 0.00 C ATOM 271 O LEU A 17 7.887 -4.505 5.790 1.00 0.00 O ATOM 272 CB LEU A 17 4.841 -3.933 6.702 1.00 0.00 C ATOM 273 CG LEU A 17 3.687 -4.590 7.484 1.00 0.00 C ATOM 274 CD1 LEU A 17 3.402 -3.832 8.769 1.00 0.00 C ATOM 275 CD2 LEU A 17 2.393 -4.480 6.690 1.00 0.00 C ATOM 0 H LEU A 17 3.915 -6.126 5.887 1.00 0.00 H new ATOM 0 HA LEU A 17 5.597 -4.181 4.694 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.612 -3.641 7.415 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.465 -3.017 6.246 1.00 0.00 H new ATOM 0 HG LEU A 17 3.986 -5.621 7.673 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.584 -4.315 9.303 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.294 -3.831 9.396 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.124 -2.805 8.532 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.582 -4.947 7.249 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.159 -3.429 6.520 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.510 -4.985 5.731 1.00 0.00 H new ATOM 287 N ALA A 18 7.018 -6.352 6.743 1.00 0.00 N ATOM 288 CA ALA A 18 8.285 -6.874 7.254 1.00 0.00 C ATOM 289 C ALA A 18 9.209 -7.444 6.153 1.00 0.00 C ATOM 290 O ALA A 18 10.421 -7.549 6.354 1.00 0.00 O ATOM 291 CB ALA A 18 7.972 -7.955 8.293 1.00 0.00 C ATOM 0 H ALA A 18 6.217 -6.943 6.963 1.00 0.00 H new ATOM 0 HA ALA A 18 8.833 -6.043 7.698 1.00 0.00 H new ATOM 0 HB1 ALA A 18 8.903 -8.360 8.689 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.391 -7.521 9.106 1.00 0.00 H new ATOM 0 HB3 ALA A 18 7.399 -8.755 7.824 1.00 0.00 H new ATOM 297 N ASN A 19 8.647 -7.801 4.993 1.00 0.00 N ATOM 298 CA ASN A 19 9.306 -8.497 3.893 1.00 0.00 C ATOM 299 C ASN A 19 9.187 -7.677 2.601 1.00 0.00 C ATOM 300 O ASN A 19 8.283 -7.871 1.788 1.00 0.00 O ATOM 301 CB ASN A 19 8.734 -9.917 3.744 1.00 0.00 C ATOM 302 CG ASN A 19 9.717 -10.856 3.080 1.00 0.00 C ATOM 303 OD1 ASN A 19 10.361 -10.519 2.099 1.00 0.00 O ATOM 304 ND2 ASN A 19 9.890 -12.045 3.604 1.00 0.00 N ATOM 0 H ASN A 19 7.668 -7.599 4.790 1.00 0.00 H new ATOM 0 HA ASN A 19 10.369 -8.601 4.111 1.00 0.00 H new ATOM 0 HB2 ASN A 19 8.468 -10.306 4.727 1.00 0.00 H new ATOM 0 HB3 ASN A 19 7.816 -9.879 3.157 1.00 0.00 H new ATOM 0 HD21 ASN A 19 10.564 -12.691 3.192 1.00 0.00 H new ATOM 0 HD22 ASN A 19 9.351 -12.324 4.424 1.00 0.00 H new ATOM 311 N ASP A 20 10.109 -6.737 2.398 1.00 0.00 N ATOM 312 CA ASP A 20 10.136 -5.885 1.205 1.00 0.00 C ATOM 313 C ASP A 20 10.159 -6.668 -0.122 1.00 0.00 C ATOM 314 O ASP A 20 9.675 -6.162 -1.135 1.00 0.00 O ATOM 315 CB ASP A 20 11.324 -4.920 1.277 1.00 0.00 C ATOM 316 CG ASP A 20 12.687 -5.622 1.136 1.00 0.00 C ATOM 317 OD1 ASP A 20 13.155 -6.238 2.122 1.00 0.00 O ATOM 318 OD2 ASP A 20 13.289 -5.555 0.039 1.00 0.00 O ATOM 0 H ASP A 20 10.862 -6.542 3.058 1.00 0.00 H new ATOM 0 HA ASP A 20 9.199 -5.328 1.206 1.00 0.00 H new ATOM 0 HB2 ASP A 20 11.225 -4.173 0.490 1.00 0.00 H new ATOM 0 HB3 ASP A 20 11.294 -4.387 2.228 1.00 0.00 H new ATOM 323 N ARG A 21 10.667 -7.908 -0.121 1.00 0.00 N ATOM 324 CA ARG A 21 10.612 -8.832 -1.273 1.00 0.00 C ATOM 325 C ARG A 21 9.170 -9.125 -1.708 1.00 0.00 C ATOM 326 O ARG A 21 8.886 -9.150 -2.906 1.00 0.00 O ATOM 327 CB ARG A 21 11.325 -10.169 -0.982 1.00 0.00 C ATOM 328 CG ARG A 21 12.677 -10.057 -0.254 1.00 0.00 C ATOM 329 CD ARG A 21 13.327 -11.431 -0.038 1.00 0.00 C ATOM 330 NE ARG A 21 13.703 -12.087 -1.308 1.00 0.00 N ATOM 331 CZ ARG A 21 14.032 -13.357 -1.474 1.00 0.00 C ATOM 332 NH1 ARG A 21 14.088 -14.197 -0.477 1.00 0.00 N ATOM 333 NH2 ARG A 21 14.317 -13.815 -2.658 1.00 0.00 N ATOM 0 H ARG A 21 11.136 -8.308 0.691 1.00 0.00 H new ATOM 0 HA ARG A 21 11.133 -8.321 -2.083 1.00 0.00 H new ATOM 0 HB2 ARG A 21 10.661 -10.792 -0.383 1.00 0.00 H new ATOM 0 HB3 ARG A 21 11.483 -10.689 -1.927 1.00 0.00 H new ATOM 0 HG2 ARG A 21 13.350 -9.424 -0.833 1.00 0.00 H new ATOM 0 HG3 ARG A 21 12.531 -9.569 0.710 1.00 0.00 H new ATOM 0 HD2 ARG A 21 14.215 -11.315 0.584 1.00 0.00 H new ATOM 0 HD3 ARG A 21 12.637 -12.074 0.508 1.00 0.00 H new ATOM 0 HE ARG A 21 13.709 -11.500 -2.142 1.00 0.00 H new ATOM 0 HH11 ARG A 21 13.874 -13.881 0.469 1.00 0.00 H new ATOM 0 HH12 ARG A 21 14.346 -15.170 -0.644 1.00 0.00 H new ATOM 0 HH21 ARG A 21 14.288 -13.193 -3.466 1.00 0.00 H new ATOM 0 HH22 ARG A 21 14.570 -14.796 -2.778 1.00 0.00 H new ATOM 347 N LEU A 22 8.260 -9.301 -0.743 1.00 0.00 N ATOM 348 CA LEU A 22 6.814 -9.366 -0.987 1.00 0.00 C ATOM 349 C LEU A 22 6.288 -7.987 -1.387 1.00 0.00 C ATOM 350 O LEU A 22 5.594 -7.854 -2.393 1.00 0.00 O ATOM 351 CB LEU A 22 6.051 -9.834 0.270 1.00 0.00 C ATOM 352 CG LEU A 22 6.519 -11.152 0.899 1.00 0.00 C ATOM 353 CD1 LEU A 22 5.743 -11.435 2.181 1.00 0.00 C ATOM 354 CD2 LEU A 22 6.283 -12.344 -0.013 1.00 0.00 C ATOM 0 H LEU A 22 8.510 -9.403 0.241 1.00 0.00 H new ATOM 0 HA LEU A 22 6.650 -10.084 -1.790 1.00 0.00 H new ATOM 0 HB2 LEU A 22 6.122 -9.051 1.025 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.997 -9.933 0.013 1.00 0.00 H new ATOM 0 HG LEU A 22 7.586 -11.030 1.086 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.087 -12.374 2.615 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.907 -10.625 2.892 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.679 -11.509 1.954 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.631 -13.253 0.478 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.218 -12.433 -0.227 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.830 -12.203 -0.945 1.00 0.00 H new ATOM 366 N LEU A 23 6.643 -6.953 -0.618 1.00 0.00 N ATOM 367 CA LEU A 23 6.099 -5.605 -0.784 1.00 0.00 C ATOM 368 C LEU A 23 6.320 -5.066 -2.212 1.00 0.00 C ATOM 369 O LEU A 23 5.384 -4.575 -2.836 1.00 0.00 O ATOM 370 CB LEU A 23 6.682 -4.679 0.306 1.00 0.00 C ATOM 371 CG LEU A 23 5.740 -3.566 0.775 1.00 0.00 C ATOM 372 CD1 LEU A 23 5.058 -2.835 -0.372 1.00 0.00 C ATOM 373 CD2 LEU A 23 4.697 -4.161 1.706 1.00 0.00 C ATOM 0 H LEU A 23 7.320 -7.030 0.141 1.00 0.00 H new ATOM 0 HA LEU A 23 5.017 -5.639 -0.655 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.961 -5.286 1.167 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.597 -4.225 -0.074 1.00 0.00 H new ATOM 0 HG LEU A 23 6.345 -2.824 1.296 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.405 -2.059 0.028 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.813 -2.379 -1.013 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.467 -3.542 -0.954 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.022 -3.376 2.045 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.128 -4.924 1.175 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.192 -4.611 2.567 1.00 0.00 H new ATOM 385 N ASN A 24 7.519 -5.248 -2.779 1.00 0.00 N ATOM 386 CA ASN A 24 7.861 -4.853 -4.154 1.00 0.00 C ATOM 387 C ASN A 24 6.878 -5.401 -5.210 1.00 0.00 C ATOM 388 O ASN A 24 6.536 -4.690 -6.153 1.00 0.00 O ATOM 389 CB ASN A 24 9.312 -5.257 -4.472 1.00 0.00 C ATOM 390 CG ASN A 24 10.299 -4.178 -4.061 1.00 0.00 C ATOM 391 OD1 ASN A 24 10.713 -3.342 -4.850 1.00 0.00 O ATOM 392 ND2 ASN A 24 10.688 -4.137 -2.810 1.00 0.00 N ATOM 0 H ASN A 24 8.297 -5.684 -2.284 1.00 0.00 H new ATOM 0 HA ASN A 24 7.771 -3.768 -4.208 1.00 0.00 H new ATOM 0 HB2 ASN A 24 9.553 -6.186 -3.955 1.00 0.00 H new ATOM 0 HB3 ASN A 24 9.410 -5.452 -5.540 1.00 0.00 H new ATOM 0 HD21 ASN A 24 11.333 -3.410 -2.500 1.00 0.00 H new ATOM 0 HD22 ASN A 24 10.346 -4.832 -2.147 1.00 0.00 H new ATOM 399 N LYS A 25 6.358 -6.620 -5.023 1.00 0.00 N ATOM 400 CA LYS A 25 5.342 -7.236 -5.896 1.00 0.00 C ATOM 401 C LYS A 25 3.976 -6.553 -5.738 1.00 0.00 C ATOM 402 O LYS A 25 3.304 -6.258 -6.728 1.00 0.00 O ATOM 403 CB LYS A 25 5.279 -8.743 -5.580 1.00 0.00 C ATOM 404 CG LYS A 25 4.369 -9.528 -6.535 1.00 0.00 C ATOM 405 CD LYS A 25 4.223 -11.008 -6.139 1.00 0.00 C ATOM 406 CE LYS A 25 5.534 -11.813 -6.115 1.00 0.00 C ATOM 407 NZ LYS A 25 6.115 -11.999 -7.472 1.00 0.00 N ATOM 0 H LYS A 25 6.635 -7.221 -4.246 1.00 0.00 H new ATOM 0 HA LYS A 25 5.622 -7.102 -6.941 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.286 -9.159 -5.625 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.924 -8.878 -4.558 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.383 -9.063 -6.554 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.771 -9.465 -7.546 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.766 -11.060 -5.151 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.534 -11.487 -6.834 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.258 -11.302 -5.480 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.349 -12.789 -5.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.996 -12.547 -7.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.437 -12.510 -8.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.318 -11.070 -7.893 1.00 0.00 H new ATOM 421 N TYR A 26 3.595 -6.244 -4.498 1.00 0.00 N ATOM 422 CA TYR A 26 2.342 -5.561 -4.158 1.00 0.00 C ATOM 423 C TYR A 26 2.309 -4.110 -4.674 1.00 0.00 C ATOM 424 O TYR A 26 1.265 -3.663 -5.147 1.00 0.00 O ATOM 425 CB TYR A 26 2.103 -5.621 -2.636 1.00 0.00 C ATOM 426 CG TYR A 26 1.561 -6.947 -2.112 1.00 0.00 C ATOM 427 CD1 TYR A 26 2.264 -8.152 -2.316 1.00 0.00 C ATOM 428 CD2 TYR A 26 0.342 -6.977 -1.407 1.00 0.00 C ATOM 429 CE1 TYR A 26 1.738 -9.375 -1.862 1.00 0.00 C ATOM 430 CE2 TYR A 26 -0.178 -8.194 -0.924 1.00 0.00 C ATOM 431 CZ TYR A 26 0.507 -9.402 -1.175 1.00 0.00 C ATOM 432 OH TYR A 26 -0.017 -10.592 -0.774 1.00 0.00 O ATOM 0 H TYR A 26 4.162 -6.467 -3.680 1.00 0.00 H new ATOM 0 HA TYR A 26 1.530 -6.085 -4.662 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.043 -5.406 -2.129 1.00 0.00 H new ATOM 0 HB3 TYR A 26 1.405 -4.829 -2.363 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.216 -8.136 -2.826 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -0.199 -6.058 -1.235 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.277 -10.294 -2.040 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.100 -8.202 -0.362 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.868 -10.436 -0.314 1.00 0.00 H new ATOM 442 N VAL A 27 3.435 -3.381 -4.654 1.00 0.00 N ATOM 443 CA VAL A 27 3.542 -2.031 -5.256 1.00 0.00 C ATOM 444 C VAL A 27 3.661 -2.076 -6.775 1.00 0.00 C ATOM 445 O VAL A 27 2.990 -1.299 -7.447 1.00 0.00 O ATOM 446 CB VAL A 27 4.672 -1.176 -4.650 1.00 0.00 C ATOM 447 CG1 VAL A 27 4.394 -0.955 -3.166 1.00 0.00 C ATOM 448 CG2 VAL A 27 6.056 -1.804 -4.776 1.00 0.00 C ATOM 0 H VAL A 27 4.300 -3.705 -4.222 1.00 0.00 H new ATOM 0 HA VAL A 27 2.602 -1.540 -5.005 1.00 0.00 H new ATOM 0 HB VAL A 27 4.681 -0.243 -5.214 1.00 0.00 H new ATOM 0 HG11 VAL A 27 5.191 -0.351 -2.733 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.441 -0.439 -3.047 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.351 -1.918 -2.657 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.798 -1.143 -4.327 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.068 -2.765 -4.262 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.293 -1.953 -5.829 1.00 0.00 H new ATOM 458 N GLN A 28 4.404 -3.026 -7.352 1.00 0.00 N ATOM 459 CA GLN A 28 4.481 -3.238 -8.811 1.00 0.00 C ATOM 460 C GLN A 28 3.098 -3.315 -9.481 1.00 0.00 C ATOM 461 O GLN A 28 2.963 -2.902 -10.630 1.00 0.00 O ATOM 462 CB GLN A 28 5.237 -4.543 -9.100 1.00 0.00 C ATOM 463 CG GLN A 28 6.703 -4.344 -9.512 1.00 0.00 C ATOM 464 CD GLN A 28 7.612 -5.508 -9.106 1.00 0.00 C ATOM 465 OE1 GLN A 28 8.614 -5.345 -8.421 1.00 0.00 O ATOM 466 NE2 GLN A 28 7.330 -6.725 -9.526 1.00 0.00 N ATOM 0 H GLN A 28 4.977 -3.679 -6.818 1.00 0.00 H new ATOM 0 HA GLN A 28 5.004 -2.376 -9.226 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.204 -5.173 -8.211 1.00 0.00 H new ATOM 0 HB3 GLN A 28 4.719 -5.082 -9.893 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.754 -4.212 -10.593 1.00 0.00 H new ATOM 0 HG3 GLN A 28 7.078 -3.425 -9.061 1.00 0.00 H new ATOM 0 HE21 GLN A 28 6.501 -6.888 -10.098 1.00 0.00 H new ATOM 0 HE22 GLN A 28 7.940 -7.504 -9.279 1.00 0.00 H new ATOM 475 N CYS A 29 2.074 -3.775 -8.754 1.00 0.00 N ATOM 476 CA CYS A 29 0.674 -3.801 -9.182 1.00 0.00 C ATOM 477 C CYS A 29 0.132 -2.467 -9.735 1.00 0.00 C ATOM 478 O CYS A 29 -0.758 -2.471 -10.587 1.00 0.00 O ATOM 479 CB CYS A 29 -0.165 -4.269 -7.985 1.00 0.00 C ATOM 480 SG CYS A 29 -1.958 -4.425 -8.213 1.00 0.00 S ATOM 0 H CYS A 29 2.204 -4.153 -7.816 1.00 0.00 H new ATOM 0 HA CYS A 29 0.605 -4.485 -10.028 1.00 0.00 H new ATOM 0 HB2 CYS A 29 0.217 -5.239 -7.668 1.00 0.00 H new ATOM 0 HB3 CYS A 29 0.008 -3.574 -7.163 1.00 0.00 H new ATOM 485 N LEU A 30 0.686 -1.334 -9.286 1.00 0.00 N ATOM 486 CA LEU A 30 0.376 0.005 -9.798 1.00 0.00 C ATOM 487 C LEU A 30 1.618 0.825 -10.223 1.00 0.00 C ATOM 488 O LEU A 30 1.471 1.858 -10.878 1.00 0.00 O ATOM 489 CB LEU A 30 -0.584 0.749 -8.835 1.00 0.00 C ATOM 490 CG LEU A 30 -0.193 1.002 -7.360 1.00 0.00 C ATOM 491 CD1 LEU A 30 -0.285 -0.238 -6.464 1.00 0.00 C ATOM 492 CD2 LEU A 30 1.205 1.587 -7.212 1.00 0.00 C ATOM 0 H LEU A 30 1.379 -1.324 -8.538 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.158 -0.126 -10.739 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.794 1.721 -9.281 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.522 0.193 -8.826 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.937 1.725 -7.026 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.006 0.026 -5.447 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.309 -0.611 -6.463 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.383 -1.011 -6.843 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.424 1.743 -6.156 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.935 0.897 -7.636 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.258 2.540 -7.738 1.00 0.00 H new ATOM 504 N LEU A 31 2.832 0.364 -9.891 1.00 0.00 N ATOM 505 CA LEU A 31 4.109 0.968 -10.289 1.00 0.00 C ATOM 506 C LEU A 31 4.495 0.562 -11.725 1.00 0.00 C ATOM 507 O LEU A 31 4.833 1.429 -12.535 1.00 0.00 O ATOM 508 CB LEU A 31 5.171 0.621 -9.209 1.00 0.00 C ATOM 509 CG LEU A 31 6.577 0.163 -9.640 1.00 0.00 C ATOM 510 CD1 LEU A 31 7.393 1.274 -10.285 1.00 0.00 C ATOM 511 CD2 LEU A 31 7.357 -0.327 -8.419 1.00 0.00 C ATOM 0 H LEU A 31 2.955 -0.470 -9.317 1.00 0.00 H new ATOM 0 HA LEU A 31 4.032 2.054 -10.331 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.294 1.502 -8.579 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.751 -0.164 -8.580 1.00 0.00 H new ATOM 0 HG LEU A 31 6.428 -0.629 -10.373 1.00 0.00 H new ATOM 0 HD11 LEU A 31 8.373 0.889 -10.567 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.876 1.636 -11.174 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.515 2.094 -9.577 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.351 -0.650 -8.728 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.447 0.483 -7.696 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.829 -1.164 -7.962 1.00 0.00 H new ATOM 523 N GLU A 32 4.433 -0.729 -12.068 1.00 0.00 N ATOM 524 CA GLU A 32 4.829 -1.213 -13.398 1.00 0.00 C ATOM 525 C GLU A 32 3.720 -1.021 -14.455 1.00 0.00 C ATOM 526 O GLU A 32 2.552 -0.785 -14.138 1.00 0.00 O ATOM 527 CB GLU A 32 5.266 -2.691 -13.338 1.00 0.00 C ATOM 528 CG GLU A 32 6.732 -2.856 -12.914 1.00 0.00 C ATOM 529 CD GLU A 32 7.720 -2.247 -13.931 1.00 0.00 C ATOM 530 OE1 GLU A 32 7.784 -2.733 -15.085 1.00 0.00 O ATOM 531 OE2 GLU A 32 8.438 -1.280 -13.582 1.00 0.00 O ATOM 0 H GLU A 32 4.110 -1.464 -11.439 1.00 0.00 H new ATOM 0 HA GLU A 32 5.678 -0.605 -13.710 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.626 -3.227 -12.637 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.121 -3.149 -14.316 1.00 0.00 H new ATOM 0 HG2 GLU A 32 6.880 -2.384 -11.943 1.00 0.00 H new ATOM 0 HG3 GLU A 32 6.953 -3.916 -12.790 1.00 0.00 H new ATOM 538 N ASP A 33 4.084 -1.160 -15.735 1.00 0.00 N ATOM 539 CA ASP A 33 3.171 -1.055 -16.886 1.00 0.00 C ATOM 540 C ASP A 33 2.198 -2.250 -17.051 1.00 0.00 C ATOM 541 O ASP A 33 1.340 -2.219 -17.936 1.00 0.00 O ATOM 542 CB ASP A 33 4.001 -0.859 -18.166 1.00 0.00 C ATOM 543 CG ASP A 33 4.717 0.502 -18.187 1.00 0.00 C ATOM 544 OD1 ASP A 33 4.049 1.535 -18.435 1.00 0.00 O ATOM 545 OD2 ASP A 33 5.953 0.545 -17.973 1.00 0.00 O ATOM 0 H ASP A 33 5.047 -1.354 -16.009 1.00 0.00 H new ATOM 0 HA ASP A 33 2.530 -0.194 -16.697 1.00 0.00 H new ATOM 0 HB2 ASP A 33 4.739 -1.658 -18.245 1.00 0.00 H new ATOM 0 HB3 ASP A 33 3.349 -0.939 -19.036 1.00 0.00 H new ATOM 550 N ASP A 34 2.289 -3.291 -16.210 1.00 0.00 N ATOM 551 CA ASP A 34 1.448 -4.498 -16.270 1.00 0.00 C ATOM 552 C ASP A 34 0.949 -4.941 -14.884 1.00 0.00 C ATOM 553 O ASP A 34 1.673 -4.918 -13.884 1.00 0.00 O ATOM 554 CB ASP A 34 2.212 -5.662 -16.917 1.00 0.00 C ATOM 555 CG ASP A 34 2.571 -5.410 -18.391 1.00 0.00 C ATOM 556 OD1 ASP A 34 1.684 -5.575 -19.263 1.00 0.00 O ATOM 557 OD2 ASP A 34 3.748 -5.095 -18.690 1.00 0.00 O ATOM 0 H ASP A 34 2.967 -3.318 -15.449 1.00 0.00 H new ATOM 0 HA ASP A 34 0.581 -4.234 -16.876 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.127 -5.845 -16.354 1.00 0.00 H new ATOM 0 HB3 ASP A 34 1.609 -6.567 -16.847 1.00 0.00 H new ATOM 562 N GLU A 35 -0.298 -5.413 -14.848 1.00 0.00 N ATOM 563 CA GLU A 35 -1.038 -5.761 -13.622 1.00 0.00 C ATOM 564 C GLU A 35 -0.955 -7.246 -13.226 1.00 0.00 C ATOM 565 O GLU A 35 -1.513 -7.666 -12.213 1.00 0.00 O ATOM 566 CB GLU A 35 -2.492 -5.264 -13.728 1.00 0.00 C ATOM 567 CG GLU A 35 -3.307 -5.965 -14.825 1.00 0.00 C ATOM 568 CD GLU A 35 -4.742 -5.404 -14.886 1.00 0.00 C ATOM 569 OE1 GLU A 35 -4.972 -4.389 -15.590 1.00 0.00 O ATOM 570 OE2 GLU A 35 -5.654 -5.979 -14.244 1.00 0.00 O ATOM 0 H GLU A 35 -0.843 -5.571 -15.696 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.543 -5.243 -12.801 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.988 -5.412 -12.769 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.487 -4.191 -13.921 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.818 -5.830 -15.790 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.339 -7.037 -14.631 1.00 0.00 H new ATOM 577 N SER A 36 -0.188 -8.036 -13.976 1.00 0.00 N ATOM 578 CA SER A 36 0.147 -9.438 -13.653 1.00 0.00 C ATOM 579 C SER A 36 0.852 -9.590 -12.295 1.00 0.00 C ATOM 580 O SER A 36 0.832 -10.660 -11.685 1.00 0.00 O ATOM 581 CB SER A 36 1.051 -10.030 -14.741 1.00 0.00 C ATOM 582 OG SER A 36 0.465 -9.878 -16.027 1.00 0.00 O ATOM 0 H SER A 36 0.233 -7.718 -14.849 1.00 0.00 H new ATOM 0 HA SER A 36 -0.801 -9.974 -13.601 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.023 -9.537 -14.720 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.225 -11.087 -14.539 1.00 0.00 H new ATOM 0 HG SER A 36 1.060 -10.261 -16.705 1.00 0.00 H new ATOM 588 N ASN A 37 1.465 -8.504 -11.811 1.00 0.00 N ATOM 589 CA ASN A 37 2.099 -8.383 -10.500 1.00 0.00 C ATOM 590 C ASN A 37 1.112 -8.454 -9.315 1.00 0.00 C ATOM 591 O ASN A 37 1.511 -8.830 -8.214 1.00 0.00 O ATOM 592 CB ASN A 37 2.852 -7.042 -10.477 1.00 0.00 C ATOM 593 CG ASN A 37 4.016 -7.000 -11.453 1.00 0.00 C ATOM 594 OD1 ASN A 37 5.081 -7.539 -11.191 1.00 0.00 O ATOM 595 ND2 ASN A 37 3.885 -6.333 -12.578 1.00 0.00 N ATOM 0 H ASN A 37 1.534 -7.643 -12.354 1.00 0.00 H new ATOM 0 HA ASN A 37 2.767 -9.234 -10.369 1.00 0.00 H new ATOM 0 HB2 ASN A 37 2.157 -6.237 -10.714 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.223 -6.857 -9.469 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.670 -6.268 -13.226 1.00 0.00 H new ATOM 0 HD22 ASN A 37 2.999 -5.881 -12.803 1.00 0.00 H new ATOM 602 N CYS A 38 -0.160 -8.087 -9.507 1.00 0.00 N ATOM 603 CA CYS A 38 -1.158 -8.049 -8.432 1.00 0.00 C ATOM 604 C CYS A 38 -1.480 -9.468 -7.915 1.00 0.00 C ATOM 605 O CYS A 38 -1.964 -10.311 -8.677 1.00 0.00 O ATOM 606 CB CYS A 38 -2.432 -7.365 -8.950 1.00 0.00 C ATOM 607 SG CYS A 38 -2.223 -5.740 -9.736 1.00 0.00 S ATOM 0 H CYS A 38 -0.528 -7.807 -10.416 1.00 0.00 H new ATOM 0 HA CYS A 38 -0.751 -7.481 -7.596 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -2.908 -8.032 -9.669 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -3.122 -7.252 -8.114 1.00 0.00 H new ATOM 612 N THR A 39 -1.235 -9.744 -6.628 1.00 0.00 N ATOM 613 CA THR A 39 -1.613 -11.028 -6.000 1.00 0.00 C ATOM 614 C THR A 39 -3.121 -11.097 -5.722 1.00 0.00 C ATOM 615 O THR A 39 -3.826 -10.085 -5.802 1.00 0.00 O ATOM 616 CB THR A 39 -0.830 -11.295 -4.701 1.00 0.00 C ATOM 617 OG1 THR A 39 -1.239 -10.405 -3.694 1.00 0.00 O ATOM 618 CG2 THR A 39 0.683 -11.162 -4.871 1.00 0.00 C ATOM 0 H THR A 39 -0.773 -9.093 -5.992 1.00 0.00 H new ATOM 0 HA THR A 39 -1.352 -11.806 -6.718 1.00 0.00 H new ATOM 0 HB THR A 39 -1.050 -12.327 -4.426 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.526 -10.315 -3.028 1.00 0.00 H new ATOM 0 HG21 THR A 39 1.175 -11.363 -3.919 1.00 0.00 H new ATOM 0 HG22 THR A 39 1.030 -11.878 -5.617 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.925 -10.151 -5.199 1.00 0.00 H new ATOM 626 N ALA A 40 -3.625 -12.283 -5.361 1.00 0.00 N ATOM 627 CA ALA A 40 -5.037 -12.541 -5.050 1.00 0.00 C ATOM 628 C ALA A 40 -5.633 -11.659 -3.925 1.00 0.00 C ATOM 629 O ALA A 40 -6.849 -11.467 -3.882 1.00 0.00 O ATOM 630 CB ALA A 40 -5.189 -14.032 -4.724 1.00 0.00 C ATOM 0 H ALA A 40 -3.043 -13.116 -5.274 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.616 -12.266 -5.932 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.231 -14.249 -4.489 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.880 -14.626 -5.584 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.564 -14.283 -3.867 1.00 0.00 H new ATOM 636 N ASP A 41 -4.794 -11.105 -3.041 1.00 0.00 N ATOM 637 CA ASP A 41 -5.203 -10.239 -1.921 1.00 0.00 C ATOM 638 C ASP A 41 -4.524 -8.858 -1.953 1.00 0.00 C ATOM 639 O ASP A 41 -5.114 -7.874 -1.504 1.00 0.00 O ATOM 640 CB ASP A 41 -4.930 -10.957 -0.592 1.00 0.00 C ATOM 641 CG ASP A 41 -5.791 -12.223 -0.445 1.00 0.00 C ATOM 642 OD1 ASP A 41 -6.981 -12.102 -0.067 1.00 0.00 O ATOM 643 OD2 ASP A 41 -5.278 -13.338 -0.706 1.00 0.00 O ATOM 0 H ASP A 41 -3.785 -11.249 -3.083 1.00 0.00 H new ATOM 0 HA ASP A 41 -6.272 -10.050 -2.022 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.875 -11.225 -0.533 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -5.134 -10.279 0.237 1.00 0.00 H new ATOM 648 N GLY A 42 -3.338 -8.740 -2.563 1.00 0.00 N ATOM 649 CA GLY A 42 -2.680 -7.460 -2.848 1.00 0.00 C ATOM 650 C GLY A 42 -3.535 -6.532 -3.706 1.00 0.00 C ATOM 651 O GLY A 42 -3.581 -5.326 -3.455 1.00 0.00 O ATOM 0 H GLY A 42 -2.799 -9.547 -2.878 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.443 -6.962 -1.908 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.734 -7.648 -3.356 1.00 0.00 H new ATOM 655 N LYS A 43 -4.285 -7.102 -4.658 1.00 0.00 N ATOM 656 CA LYS A 43 -5.298 -6.381 -5.448 1.00 0.00 C ATOM 657 C LYS A 43 -6.399 -5.722 -4.613 1.00 0.00 C ATOM 658 O LYS A 43 -6.885 -4.661 -4.988 1.00 0.00 O ATOM 659 CB LYS A 43 -5.921 -7.306 -6.516 1.00 0.00 C ATOM 660 CG LYS A 43 -6.783 -8.449 -5.936 1.00 0.00 C ATOM 661 CD LYS A 43 -7.654 -9.159 -6.974 1.00 0.00 C ATOM 662 CE LYS A 43 -6.849 -9.801 -8.111 1.00 0.00 C ATOM 663 NZ LYS A 43 -7.747 -10.436 -9.113 1.00 0.00 N ATOM 0 H LYS A 43 -4.206 -8.088 -4.906 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.759 -5.566 -5.931 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.536 -6.706 -7.187 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.122 -7.738 -7.118 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.128 -9.181 -5.465 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.425 -8.045 -5.153 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.243 -9.929 -6.477 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.358 -8.443 -7.397 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.234 -9.044 -8.598 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.169 -10.549 -7.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -7.176 -10.862 -9.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -8.316 -11.174 -8.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.378 -9.716 -9.519 1.00 0.00 H new ATOM 677 N GLU A 44 -6.801 -6.325 -3.494 1.00 0.00 N ATOM 678 CA GLU A 44 -7.816 -5.748 -2.610 1.00 0.00 C ATOM 679 C GLU A 44 -7.180 -4.712 -1.679 1.00 0.00 C ATOM 680 O GLU A 44 -7.739 -3.629 -1.527 1.00 0.00 O ATOM 681 CB GLU A 44 -8.567 -6.859 -1.859 1.00 0.00 C ATOM 682 CG GLU A 44 -9.704 -6.316 -0.989 1.00 0.00 C ATOM 683 CD GLU A 44 -10.536 -7.466 -0.389 1.00 0.00 C ATOM 684 OE1 GLU A 44 -10.173 -7.982 0.695 1.00 0.00 O ATOM 685 OE2 GLU A 44 -11.565 -7.854 -0.994 1.00 0.00 O ATOM 0 H GLU A 44 -6.435 -7.222 -3.175 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.562 -5.218 -3.203 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.973 -7.569 -2.579 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.864 -7.408 -1.232 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -9.293 -5.703 -0.187 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -10.347 -5.670 -1.586 1.00 0.00 H new ATOM 692 N LEU A 45 -5.975 -4.983 -1.150 1.00 0.00 N ATOM 693 CA LEU A 45 -5.192 -4.034 -0.350 1.00 0.00 C ATOM 694 C LEU A 45 -4.979 -2.713 -1.112 1.00 0.00 C ATOM 695 O LEU A 45 -5.403 -1.661 -0.641 1.00 0.00 O ATOM 696 CB LEU A 45 -3.881 -4.730 0.100 1.00 0.00 C ATOM 697 CG LEU A 45 -2.845 -3.815 0.794 1.00 0.00 C ATOM 698 CD1 LEU A 45 -2.102 -4.522 1.942 1.00 0.00 C ATOM 699 CD2 LEU A 45 -1.786 -3.316 -0.195 1.00 0.00 C ATOM 0 H LEU A 45 -5.512 -5.884 -1.270 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.733 -3.748 0.552 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.137 -5.542 0.781 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.412 -5.183 -0.774 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.424 -2.982 1.194 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.388 -3.833 2.392 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.820 -4.844 2.696 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.571 -5.390 1.552 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.074 -2.676 0.326 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.260 -4.168 -0.626 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.269 -2.749 -0.990 1.00 0.00 H new ATOM 711 N LYS A 46 -4.443 -2.752 -2.337 1.00 0.00 N ATOM 712 CA LYS A 46 -4.253 -1.548 -3.172 1.00 0.00 C ATOM 713 C LYS A 46 -5.558 -0.883 -3.612 1.00 0.00 C ATOM 714 O LYS A 46 -5.540 0.300 -3.936 1.00 0.00 O ATOM 715 CB LYS A 46 -3.346 -1.850 -4.380 1.00 0.00 C ATOM 716 CG LYS A 46 -4.014 -2.739 -5.444 1.00 0.00 C ATOM 717 CD LYS A 46 -4.759 -2.052 -6.605 1.00 0.00 C ATOM 718 CE LYS A 46 -3.860 -1.192 -7.501 1.00 0.00 C ATOM 719 NZ LYS A 46 -4.615 -0.656 -8.665 1.00 0.00 N ATOM 0 H LYS A 46 -4.128 -3.614 -2.782 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.756 -0.820 -2.531 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.044 -0.910 -4.841 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.437 -2.339 -4.028 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.243 -3.378 -5.875 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.722 -3.393 -4.935 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.240 -2.815 -7.216 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.551 -1.426 -6.195 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.447 -0.367 -6.921 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.018 -1.787 -7.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.981 -0.078 -9.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.988 -1.445 -9.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -5.404 -0.069 -8.327 1.00 0.00 H new ATOM 733 N SER A 47 -6.661 -1.634 -3.673 1.00 0.00 N ATOM 734 CA SER A 47 -7.986 -1.122 -4.059 1.00 0.00 C ATOM 735 C SER A 47 -8.674 -0.385 -2.904 1.00 0.00 C ATOM 736 O SER A 47 -9.372 0.603 -3.135 1.00 0.00 O ATOM 737 CB SER A 47 -8.867 -2.270 -4.566 1.00 0.00 C ATOM 738 OG SER A 47 -10.124 -1.798 -5.019 1.00 0.00 O ATOM 0 H SER A 47 -6.662 -2.630 -3.453 1.00 0.00 H new ATOM 0 HA SER A 47 -7.842 -0.400 -4.862 1.00 0.00 H new ATOM 0 HB2 SER A 47 -8.358 -2.790 -5.378 1.00 0.00 H new ATOM 0 HB3 SER A 47 -9.016 -2.996 -3.767 1.00 0.00 H new ATOM 0 HG SER A 47 -10.662 -2.553 -5.337 1.00 0.00 H new ATOM 744 N VAL A 48 -8.419 -0.786 -1.650 1.00 0.00 N ATOM 745 CA VAL A 48 -8.918 -0.077 -0.459 1.00 0.00 C ATOM 746 C VAL A 48 -7.991 1.055 0.017 1.00 0.00 C ATOM 747 O VAL A 48 -8.473 1.993 0.651 1.00 0.00 O ATOM 748 CB VAL A 48 -9.252 -1.066 0.673 1.00 0.00 C ATOM 749 CG1 VAL A 48 -8.018 -1.714 1.279 1.00 0.00 C ATOM 750 CG2 VAL A 48 -9.948 -0.373 1.838 1.00 0.00 C ATOM 0 H VAL A 48 -7.861 -1.611 -1.431 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.842 0.418 -0.760 1.00 0.00 H new ATOM 0 HB VAL A 48 -9.888 -1.812 0.197 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.319 -2.400 2.071 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.480 -2.264 0.507 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.369 -0.943 1.694 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -10.168 -1.103 2.617 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -9.297 0.403 2.241 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -10.878 0.078 1.490 1.00 0.00 H new ATOM 760 N ILE A 49 -6.690 1.036 -0.320 1.00 0.00 N ATOM 761 CA ILE A 49 -5.759 2.130 0.021 1.00 0.00 C ATOM 762 C ILE A 49 -6.324 3.507 -0.393 1.00 0.00 C ATOM 763 O ILE A 49 -6.352 4.401 0.453 1.00 0.00 O ATOM 764 CB ILE A 49 -4.325 1.918 -0.548 1.00 0.00 C ATOM 765 CG1 ILE A 49 -3.535 0.918 0.327 1.00 0.00 C ATOM 766 CG2 ILE A 49 -3.507 3.231 -0.625 1.00 0.00 C ATOM 767 CD1 ILE A 49 -2.156 0.507 -0.206 1.00 0.00 C ATOM 0 H ILE A 49 -6.255 0.269 -0.833 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.664 2.112 1.107 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.461 1.532 -1.558 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.405 1.355 1.317 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -4.138 0.019 0.452 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.517 3.020 -1.029 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -4.020 3.941 -1.274 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.408 3.657 0.373 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.693 -0.196 0.487 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.269 0.034 -1.181 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.525 1.391 -0.302 1.00 0.00 H new ATOM 779 N PRO A 50 -6.803 3.710 -1.641 1.00 0.00 N ATOM 780 CA PRO A 50 -7.343 5.004 -2.065 1.00 0.00 C ATOM 781 C PRO A 50 -8.718 5.304 -1.437 1.00 0.00 C ATOM 782 O PRO A 50 -9.057 6.464 -1.215 1.00 0.00 O ATOM 783 CB PRO A 50 -7.428 4.926 -3.594 1.00 0.00 C ATOM 784 CG PRO A 50 -7.608 3.434 -3.867 1.00 0.00 C ATOM 785 CD PRO A 50 -6.797 2.778 -2.764 1.00 0.00 C ATOM 0 HA PRO A 50 -6.703 5.822 -1.733 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -8.265 5.508 -3.979 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -6.526 5.314 -4.066 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -8.657 3.141 -3.824 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -7.240 3.158 -4.855 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.233 1.821 -2.477 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -5.779 2.577 -3.097 1.00 0.00 H new ATOM 793 N ASP A 51 -9.506 4.279 -1.090 1.00 0.00 N ATOM 794 CA ASP A 51 -10.783 4.425 -0.370 1.00 0.00 C ATOM 795 C ASP A 51 -10.607 4.933 1.073 1.00 0.00 C ATOM 796 O ASP A 51 -11.486 5.617 1.609 1.00 0.00 O ATOM 797 CB ASP A 51 -11.582 3.113 -0.403 1.00 0.00 C ATOM 798 CG ASP A 51 -12.545 3.068 -1.598 1.00 0.00 C ATOM 799 OD1 ASP A 51 -13.689 3.553 -1.451 1.00 0.00 O ATOM 800 OD2 ASP A 51 -12.178 2.539 -2.677 1.00 0.00 O ATOM 0 H ASP A 51 -9.273 3.309 -1.303 1.00 0.00 H new ATOM 0 HA ASP A 51 -11.351 5.193 -0.896 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -10.895 2.269 -0.457 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -12.146 3.006 0.524 1.00 0.00 H new ATOM 805 N ALA A 52 -9.453 4.679 1.699 1.00 0.00 N ATOM 806 CA ALA A 52 -9.053 5.349 2.937 1.00 0.00 C ATOM 807 C ALA A 52 -8.774 6.861 2.778 1.00 0.00 C ATOM 808 O ALA A 52 -8.572 7.550 3.780 1.00 0.00 O ATOM 809 CB ALA A 52 -7.857 4.606 3.537 1.00 0.00 C ATOM 0 H ALA A 52 -8.770 4.002 1.359 1.00 0.00 H new ATOM 0 HA ALA A 52 -9.900 5.306 3.622 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.550 5.097 4.461 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -8.139 3.575 3.750 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -7.029 4.617 2.828 1.00 0.00 H new ATOM 815 N LEU A 53 -8.802 7.391 1.548 1.00 0.00 N ATOM 816 CA LEU A 53 -8.555 8.801 1.216 1.00 0.00 C ATOM 817 C LEU A 53 -9.813 9.494 0.656 1.00 0.00 C ATOM 818 O LEU A 53 -9.977 10.700 0.840 1.00 0.00 O ATOM 819 CB LEU A 53 -7.386 8.919 0.209 1.00 0.00 C ATOM 820 CG LEU A 53 -6.187 7.971 0.417 1.00 0.00 C ATOM 821 CD1 LEU A 53 -5.162 8.107 -0.710 1.00 0.00 C ATOM 822 CD2 LEU A 53 -5.464 8.209 1.740 1.00 0.00 C ATOM 0 H LEU A 53 -9.006 6.826 0.723 1.00 0.00 H new ATOM 0 HA LEU A 53 -8.286 9.310 2.141 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.782 8.750 -0.792 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -7.017 9.944 0.237 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.615 6.968 0.423 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.331 7.425 -0.531 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.633 7.863 -1.662 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.790 9.131 -0.742 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.630 7.513 1.829 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.087 9.231 1.770 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.157 8.053 2.567 1.00 0.00 H new ATOM 834 N SER A 54 -10.723 8.743 0.017 1.00 0.00 N ATOM 835 CA SER A 54 -11.955 9.277 -0.601 1.00 0.00 C ATOM 836 C SER A 54 -13.210 9.161 0.280 1.00 0.00 C ATOM 837 O SER A 54 -14.109 9.999 0.183 1.00 0.00 O ATOM 838 CB SER A 54 -12.207 8.588 -1.944 1.00 0.00 C ATOM 839 OG SER A 54 -12.452 7.205 -1.766 1.00 0.00 O ATOM 0 H SER A 54 -10.626 7.733 -0.089 1.00 0.00 H new ATOM 0 HA SER A 54 -11.778 10.344 -0.737 1.00 0.00 H new ATOM 0 HB2 SER A 54 -13.060 9.051 -2.440 1.00 0.00 H new ATOM 0 HB3 SER A 54 -11.345 8.727 -2.596 1.00 0.00 H new ATOM 0 HG SER A 54 -12.612 6.786 -2.637 1.00 0.00 H new ATOM 845 N ASN A 55 -13.262 8.167 1.175 1.00 0.00 N ATOM 846 CA ASN A 55 -14.331 7.967 2.170 1.00 0.00 C ATOM 847 C ASN A 55 -13.791 7.449 3.522 1.00 0.00 C ATOM 848 O ASN A 55 -14.527 6.830 4.289 1.00 0.00 O ATOM 849 CB ASN A 55 -15.495 7.113 1.596 1.00 0.00 C ATOM 850 CG ASN A 55 -15.143 6.107 0.520 1.00 0.00 C ATOM 851 OD1 ASN A 55 -15.732 6.095 -0.552 1.00 0.00 O ATOM 852 ND2 ASN A 55 -14.238 5.196 0.773 1.00 0.00 N ATOM 0 H ASN A 55 -12.536 7.452 1.231 1.00 0.00 H new ATOM 0 HA ASN A 55 -14.756 8.946 2.392 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -15.961 6.576 2.422 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -16.246 7.792 1.193 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -14.027 4.480 0.078 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -13.744 5.202 1.665 1.00 0.00 H new ATOM 859 N GLU A 56 -12.506 7.680 3.824 1.00 0.00 N ATOM 860 CA GLU A 56 -11.853 7.308 5.097 1.00 0.00 C ATOM 861 C GLU A 56 -12.073 5.832 5.500 1.00 0.00 C ATOM 862 O GLU A 56 -12.161 5.490 6.680 1.00 0.00 O ATOM 863 CB GLU A 56 -12.231 8.314 6.201 1.00 0.00 C ATOM 864 CG GLU A 56 -11.779 9.740 5.857 1.00 0.00 C ATOM 865 CD GLU A 56 -12.105 10.714 7.005 1.00 0.00 C ATOM 866 OE1 GLU A 56 -13.218 11.297 7.018 1.00 0.00 O ATOM 867 OE2 GLU A 56 -11.249 10.916 7.902 1.00 0.00 O ATOM 0 H GLU A 56 -11.870 8.143 3.175 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.775 7.373 4.946 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -13.311 8.301 6.349 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -11.777 8.007 7.143 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.707 9.748 5.662 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.272 10.071 4.943 1.00 0.00 H new ATOM 874 N CYS A 57 -12.171 4.952 4.494 1.00 0.00 N ATOM 875 CA CYS A 57 -12.439 3.518 4.629 1.00 0.00 C ATOM 876 C CYS A 57 -13.775 3.203 5.343 1.00 0.00 C ATOM 877 O CYS A 57 -13.920 2.156 5.967 1.00 0.00 O ATOM 878 CB CYS A 57 -11.223 2.839 5.293 1.00 0.00 C ATOM 879 SG CYS A 57 -10.744 1.202 4.671 1.00 0.00 S ATOM 0 H CYS A 57 -12.060 5.236 3.521 1.00 0.00 H new ATOM 0 HA CYS A 57 -12.573 3.100 3.631 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -10.366 3.504 5.188 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -11.428 2.748 6.360 1.00 0.00 H new ATOM 884 N ALA A 58 -14.778 4.085 5.301 1.00 0.00 N ATOM 885 CA ALA A 58 -16.027 3.873 6.036 1.00 0.00 C ATOM 886 C ALA A 58 -16.816 2.623 5.590 1.00 0.00 C ATOM 887 O ALA A 58 -17.470 1.987 6.421 1.00 0.00 O ATOM 888 CB ALA A 58 -16.875 5.145 5.932 1.00 0.00 C ATOM 0 H ALA A 58 -14.749 4.953 4.765 1.00 0.00 H new ATOM 0 HA ALA A 58 -15.771 3.673 7.076 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -17.810 5.004 6.474 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -16.328 5.983 6.363 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -17.091 5.353 4.884 1.00 0.00 H new ATOM 894 N LYS A 59 -16.712 2.227 4.310 1.00 0.00 N ATOM 895 CA LYS A 59 -17.306 0.975 3.791 1.00 0.00 C ATOM 896 C LYS A 59 -16.578 -0.326 4.197 1.00 0.00 C ATOM 897 O LYS A 59 -17.099 -1.419 3.976 1.00 0.00 O ATOM 898 CB LYS A 59 -17.505 1.039 2.273 1.00 0.00 C ATOM 899 CG LYS A 59 -16.184 1.050 1.499 1.00 0.00 C ATOM 900 CD LYS A 59 -16.020 2.364 0.746 1.00 0.00 C ATOM 901 CE LYS A 59 -16.877 2.393 -0.524 1.00 0.00 C ATOM 902 NZ LYS A 59 -16.464 3.478 -1.453 1.00 0.00 N ATOM 0 H LYS A 59 -16.213 2.765 3.601 1.00 0.00 H new ATOM 0 HA LYS A 59 -18.276 0.915 4.284 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -18.100 0.184 1.953 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -18.074 1.935 2.024 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -15.351 0.912 2.188 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -16.159 0.216 0.798 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -16.300 3.194 1.395 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -14.972 2.505 0.482 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -16.802 1.432 -1.033 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -17.924 2.529 -0.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -17.102 3.493 -2.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -16.511 4.393 -0.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -15.490 3.308 -1.775 1.00 0.00 H new ATOM 916 N CYS A 60 -15.358 -0.214 4.727 1.00 0.00 N ATOM 917 CA CYS A 60 -14.429 -1.308 4.995 1.00 0.00 C ATOM 918 C CYS A 60 -14.823 -2.162 6.209 1.00 0.00 C ATOM 919 O CYS A 60 -15.698 -1.790 6.997 1.00 0.00 O ATOM 920 CB CYS A 60 -13.062 -0.669 5.262 1.00 0.00 C ATOM 921 SG CYS A 60 -12.422 0.331 3.901 1.00 0.00 S ATOM 0 H CYS A 60 -14.973 0.692 4.994 1.00 0.00 H new ATOM 0 HA CYS A 60 -14.428 -1.979 4.136 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -13.135 -0.044 6.152 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -12.344 -1.458 5.485 1.00 0.00 H new ATOM 926 N ASN A 61 -14.078 -3.251 6.422 1.00 0.00 N ATOM 927 CA ASN A 61 -14.046 -3.937 7.723 1.00 0.00 C ATOM 928 C ASN A 61 -12.810 -3.525 8.541 1.00 0.00 C ATOM 929 O ASN A 61 -11.837 -3.001 7.996 1.00 0.00 O ATOM 930 CB ASN A 61 -14.160 -5.459 7.534 1.00 0.00 C ATOM 931 CG ASN A 61 -12.865 -6.124 7.129 1.00 0.00 C ATOM 932 OD1 ASN A 61 -11.999 -6.361 7.947 1.00 0.00 O ATOM 933 ND2 ASN A 61 -12.683 -6.466 5.880 1.00 0.00 N ATOM 0 H ASN A 61 -13.487 -3.679 5.710 1.00 0.00 H new ATOM 0 HA ASN A 61 -14.913 -3.624 8.305 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -14.511 -5.906 8.464 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -14.916 -5.666 6.776 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -11.818 -6.928 5.599 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -13.406 -6.270 5.187 1.00 0.00 H new ATOM 940 N GLU A 62 -12.831 -3.784 9.850 1.00 0.00 N ATOM 941 CA GLU A 62 -11.785 -3.335 10.784 1.00 0.00 C ATOM 942 C GLU A 62 -10.371 -3.841 10.448 1.00 0.00 C ATOM 943 O GLU A 62 -9.391 -3.145 10.728 1.00 0.00 O ATOM 944 CB GLU A 62 -12.169 -3.671 12.236 1.00 0.00 C ATOM 945 CG GLU A 62 -12.257 -5.172 12.550 1.00 0.00 C ATOM 946 CD GLU A 62 -12.596 -5.397 14.038 1.00 0.00 C ATOM 947 OE1 GLU A 62 -13.793 -5.335 14.409 1.00 0.00 O ATOM 948 OE2 GLU A 62 -11.667 -5.637 14.847 1.00 0.00 O ATOM 0 H GLU A 62 -13.577 -4.314 10.299 1.00 0.00 H new ATOM 0 HA GLU A 62 -11.733 -2.252 10.669 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -11.437 -3.217 12.904 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -13.132 -3.211 12.458 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -13.019 -5.636 11.924 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.310 -5.655 12.310 1.00 0.00 H new ATOM 955 N LYS A 63 -10.251 -5.005 9.790 1.00 0.00 N ATOM 956 CA LYS A 63 -8.956 -5.563 9.357 1.00 0.00 C ATOM 957 C LYS A 63 -8.304 -4.681 8.292 1.00 0.00 C ATOM 958 O LYS A 63 -7.097 -4.456 8.326 1.00 0.00 O ATOM 959 CB LYS A 63 -9.166 -6.992 8.821 1.00 0.00 C ATOM 960 CG LYS A 63 -7.911 -7.875 8.853 1.00 0.00 C ATOM 961 CD LYS A 63 -7.577 -8.364 10.274 1.00 0.00 C ATOM 962 CE LYS A 63 -6.347 -9.284 10.304 1.00 0.00 C ATOM 963 NZ LYS A 63 -5.075 -8.529 10.138 1.00 0.00 N ATOM 0 H LYS A 63 -11.050 -5.588 9.542 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.284 -5.595 10.215 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -9.949 -7.474 9.406 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -9.526 -6.932 7.794 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.058 -8.735 8.200 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.065 -7.314 8.456 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.399 -7.503 10.919 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.436 -8.897 10.683 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.325 -9.827 11.249 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.432 -10.027 9.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.273 -9.190 10.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.083 -8.031 9.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.979 -7.837 10.908 1.00 0.00 H new ATOM 977 N GLN A 64 -9.117 -4.150 7.378 1.00 0.00 N ATOM 978 CA GLN A 64 -8.691 -3.210 6.335 1.00 0.00 C ATOM 979 C GLN A 64 -8.455 -1.803 6.899 1.00 0.00 C ATOM 980 O GLN A 64 -7.404 -1.223 6.637 1.00 0.00 O ATOM 981 CB GLN A 64 -9.736 -3.152 5.211 1.00 0.00 C ATOM 982 CG GLN A 64 -9.953 -4.520 4.558 1.00 0.00 C ATOM 983 CD GLN A 64 -10.830 -4.433 3.313 1.00 0.00 C ATOM 984 OE1 GLN A 64 -12.017 -4.134 3.363 1.00 0.00 O ATOM 985 NE2 GLN A 64 -10.250 -4.703 2.165 1.00 0.00 N ATOM 0 H GLN A 64 -10.113 -4.365 7.340 1.00 0.00 H new ATOM 0 HA GLN A 64 -7.745 -3.574 5.934 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -10.681 -2.788 5.613 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -9.415 -2.436 4.454 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -8.988 -4.950 4.291 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -10.414 -5.195 5.279 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -9.261 -4.950 2.139 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -10.789 -4.665 1.300 1.00 0.00 H new ATOM 994 N LYS A 65 -9.388 -1.286 7.713 1.00 0.00 N ATOM 995 CA LYS A 65 -9.290 0.039 8.368 1.00 0.00 C ATOM 996 C LYS A 65 -7.984 0.217 9.145 1.00 0.00 C ATOM 997 O LYS A 65 -7.313 1.237 8.996 1.00 0.00 O ATOM 998 CB LYS A 65 -10.475 0.285 9.320 1.00 0.00 C ATOM 999 CG LYS A 65 -11.830 0.414 8.614 1.00 0.00 C ATOM 1000 CD LYS A 65 -12.951 0.708 9.621 1.00 0.00 C ATOM 1001 CE LYS A 65 -14.301 0.804 8.898 1.00 0.00 C ATOM 1002 NZ LYS A 65 -15.407 1.140 9.832 1.00 0.00 N ATOM 0 H LYS A 65 -10.250 -1.782 7.942 1.00 0.00 H new ATOM 0 HA LYS A 65 -9.311 0.770 7.560 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -10.528 -0.535 10.037 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -10.286 1.195 9.890 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -11.783 1.212 7.873 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -12.053 -0.507 8.076 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -12.989 -0.079 10.374 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -12.744 1.641 10.145 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -14.242 1.563 8.118 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -14.517 -0.144 8.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -16.302 1.196 9.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -15.481 0.403 10.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -15.214 2.057 10.283 1.00 0.00 H new ATOM 1016 N GLU A 66 -7.605 -0.775 9.953 1.00 0.00 N ATOM 1017 CA GLU A 66 -6.304 -0.794 10.635 1.00 0.00 C ATOM 1018 C GLU A 66 -5.163 -1.135 9.667 1.00 0.00 C ATOM 1019 O GLU A 66 -4.126 -0.471 9.691 1.00 0.00 O ATOM 1020 CB GLU A 66 -6.327 -1.811 11.790 1.00 0.00 C ATOM 1021 CG GLU A 66 -7.208 -1.380 12.972 1.00 0.00 C ATOM 1022 CD GLU A 66 -6.554 -0.248 13.789 1.00 0.00 C ATOM 1023 OE1 GLU A 66 -6.710 0.940 13.418 1.00 0.00 O ATOM 1024 OE2 GLU A 66 -5.865 -0.538 14.796 1.00 0.00 O ATOM 0 H GLU A 66 -8.188 -1.587 10.154 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.124 0.205 11.031 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.684 -2.769 11.412 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.308 -1.968 12.145 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.177 -1.047 12.601 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.392 -2.237 13.620 1.00 0.00 H new ATOM 1031 N GLY A 67 -5.359 -2.142 8.808 1.00 0.00 N ATOM 1032 CA GLY A 67 -4.364 -2.689 7.885 1.00 0.00 C ATOM 1033 C GLY A 67 -3.769 -1.668 6.920 1.00 0.00 C ATOM 1034 O GLY A 67 -2.566 -1.421 6.955 1.00 0.00 O ATOM 0 H GLY A 67 -6.258 -2.618 8.736 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -3.556 -3.136 8.464 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.824 -3.491 7.308 1.00 0.00 H new ATOM 1038 N THR A 68 -4.568 -1.017 6.075 1.00 0.00 N ATOM 1039 CA THR A 68 -4.012 -0.051 5.111 1.00 0.00 C ATOM 1040 C THR A 68 -3.418 1.177 5.793 1.00 0.00 C ATOM 1041 O THR A 68 -2.404 1.683 5.324 1.00 0.00 O ATOM 1042 CB THR A 68 -5.025 0.377 4.046 1.00 0.00 C ATOM 1043 OG1 THR A 68 -6.226 0.861 4.609 1.00 0.00 O ATOM 1044 CG2 THR A 68 -5.343 -0.818 3.158 1.00 0.00 C ATOM 0 H THR A 68 -5.581 -1.132 6.032 1.00 0.00 H new ATOM 0 HA THR A 68 -3.206 -0.584 4.607 1.00 0.00 H new ATOM 0 HB THR A 68 -4.578 1.188 3.471 1.00 0.00 H new ATOM 0 HG1 THR A 68 -6.656 0.148 5.125 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.064 -0.523 2.396 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.429 -1.167 2.677 1.00 0.00 H new ATOM 0 HG23 THR A 68 -5.764 -1.620 3.764 1.00 0.00 H new ATOM 1052 N LYS A 69 -3.980 1.613 6.930 1.00 0.00 N ATOM 1053 CA LYS A 69 -3.460 2.717 7.758 1.00 0.00 C ATOM 1054 C LYS A 69 -2.071 2.419 8.333 1.00 0.00 C ATOM 1055 O LYS A 69 -1.178 3.256 8.231 1.00 0.00 O ATOM 1056 CB LYS A 69 -4.514 3.041 8.833 1.00 0.00 C ATOM 1057 CG LYS A 69 -4.155 4.190 9.798 1.00 0.00 C ATOM 1058 CD LYS A 69 -3.384 3.786 11.072 1.00 0.00 C ATOM 1059 CE LYS A 69 -4.073 2.712 11.933 1.00 0.00 C ATOM 1060 NZ LYS A 69 -5.385 3.162 12.466 1.00 0.00 N ATOM 0 H LYS A 69 -4.831 1.199 7.311 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.302 3.601 7.140 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.451 3.290 8.334 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -4.695 2.141 9.421 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.559 4.923 9.254 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -5.077 4.688 10.098 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.398 3.422 10.782 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -3.228 4.676 11.682 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -4.217 1.811 11.337 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -3.420 2.444 12.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -5.829 2.385 12.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -5.242 3.975 13.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -6.003 3.441 11.677 1.00 0.00 H new ATOM 1074 N LYS A 70 -1.845 1.226 8.897 1.00 0.00 N ATOM 1075 CA LYS A 70 -0.506 0.798 9.355 1.00 0.00 C ATOM 1076 C LYS A 70 0.446 0.602 8.176 1.00 0.00 C ATOM 1077 O LYS A 70 1.585 1.059 8.222 1.00 0.00 O ATOM 1078 CB LYS A 70 -0.569 -0.428 10.301 1.00 0.00 C ATOM 1079 CG LYS A 70 -0.980 -1.762 9.648 1.00 0.00 C ATOM 1080 CD LYS A 70 -1.001 -2.998 10.557 1.00 0.00 C ATOM 1081 CE LYS A 70 -1.997 -2.843 11.714 1.00 0.00 C ATOM 1082 NZ LYS A 70 -2.005 -4.042 12.593 1.00 0.00 N ATOM 0 H LYS A 70 -2.575 0.531 9.050 1.00 0.00 H new ATOM 0 HA LYS A 70 -0.092 1.605 9.959 1.00 0.00 H new ATOM 0 HB2 LYS A 70 0.410 -0.558 10.762 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.272 -0.207 11.104 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.974 -1.638 9.219 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -0.298 -1.960 8.821 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.263 -3.877 9.968 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -0.002 -3.170 10.959 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -1.739 -1.962 12.302 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -2.997 -2.678 11.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.689 -3.903 13.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -2.275 -4.878 12.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -1.056 -4.185 12.994 1.00 0.00 H new ATOM 1096 N VAL A 71 0.002 -0.044 7.101 1.00 0.00 N ATOM 1097 CA VAL A 71 0.840 -0.363 5.929 1.00 0.00 C ATOM 1098 C VAL A 71 1.322 0.893 5.212 1.00 0.00 C ATOM 1099 O VAL A 71 2.511 0.987 4.918 1.00 0.00 O ATOM 1100 CB VAL A 71 0.076 -1.313 4.993 1.00 0.00 C ATOM 1101 CG1 VAL A 71 0.765 -1.533 3.641 1.00 0.00 C ATOM 1102 CG2 VAL A 71 -0.080 -2.667 5.701 1.00 0.00 C ATOM 0 H VAL A 71 -0.961 -0.368 7.010 1.00 0.00 H new ATOM 0 HA VAL A 71 1.741 -0.871 6.272 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.887 -0.849 4.779 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.168 -2.214 3.035 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.864 -0.579 3.124 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.754 -1.963 3.802 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.620 -3.357 5.053 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.905 -3.076 5.925 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.636 -2.531 6.629 1.00 0.00 H new ATOM 1112 N LEU A 72 0.457 1.899 5.055 1.00 0.00 N ATOM 1113 CA LEU A 72 0.792 3.244 4.572 1.00 0.00 C ATOM 1114 C LEU A 72 2.023 3.809 5.283 1.00 0.00 C ATOM 1115 O LEU A 72 2.948 4.264 4.614 1.00 0.00 O ATOM 1116 CB LEU A 72 -0.483 4.109 4.700 1.00 0.00 C ATOM 1117 CG LEU A 72 -0.391 5.632 4.912 1.00 0.00 C ATOM 1118 CD1 LEU A 72 -1.770 6.209 4.599 1.00 0.00 C ATOM 1119 CD2 LEU A 72 -0.085 6.009 6.368 1.00 0.00 C ATOM 0 H LEU A 72 -0.535 1.796 5.269 1.00 0.00 H new ATOM 0 HA LEU A 72 1.089 3.229 3.523 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.070 3.947 3.796 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.060 3.705 5.532 1.00 0.00 H new ATOM 0 HG LEU A 72 0.408 6.015 4.277 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.752 7.290 4.736 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.035 5.979 3.567 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.509 5.770 5.270 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.031 7.094 6.459 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.875 5.629 7.016 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.869 5.572 6.664 1.00 0.00 H new ATOM 1131 N LYS A 73 2.073 3.708 6.620 1.00 0.00 N ATOM 1132 CA LYS A 73 3.116 4.310 7.462 1.00 0.00 C ATOM 1133 C LYS A 73 4.475 3.623 7.285 1.00 0.00 C ATOM 1134 O LYS A 73 5.500 4.288 7.136 1.00 0.00 O ATOM 1135 CB LYS A 73 2.630 4.235 8.924 1.00 0.00 C ATOM 1136 CG LYS A 73 3.578 4.871 9.950 1.00 0.00 C ATOM 1137 CD LYS A 73 3.888 6.351 9.683 1.00 0.00 C ATOM 1138 CE LYS A 73 2.651 7.267 9.617 1.00 0.00 C ATOM 1139 NZ LYS A 73 1.882 7.287 10.893 1.00 0.00 N ATOM 0 H LYS A 73 1.374 3.194 7.157 1.00 0.00 H new ATOM 0 HA LYS A 73 3.274 5.347 7.165 1.00 0.00 H new ATOM 0 HB2 LYS A 73 1.659 4.725 8.995 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.479 3.188 9.189 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.138 4.776 10.943 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.513 4.311 9.961 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.552 6.716 10.467 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.432 6.430 8.742 1.00 0.00 H new ATOM 0 HE2 LYS A 73 2.967 8.281 9.372 1.00 0.00 H new ATOM 0 HE3 LYS A 73 1.999 6.933 8.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 1.061 7.918 10.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 1.555 6.325 11.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 2.493 7.632 11.661 1.00 0.00 H new ATOM 1153 N HIS A 74 4.474 2.290 7.251 1.00 0.00 N ATOM 1154 CA HIS A 74 5.654 1.465 6.952 1.00 0.00 C ATOM 1155 C HIS A 74 6.154 1.704 5.528 1.00 0.00 C ATOM 1156 O HIS A 74 7.348 1.915 5.346 1.00 0.00 O ATOM 1157 CB HIS A 74 5.344 -0.030 7.146 1.00 0.00 C ATOM 1158 CG HIS A 74 4.993 -0.421 8.558 1.00 0.00 C ATOM 1159 ND1 HIS A 74 3.726 -0.381 9.094 1.00 0.00 N ATOM 1160 CD2 HIS A 74 5.810 -1.012 9.484 1.00 0.00 C ATOM 1161 CE1 HIS A 74 3.744 -0.975 10.295 1.00 0.00 C ATOM 1162 NE2 HIS A 74 5.014 -1.342 10.572 1.00 0.00 N ATOM 0 H HIS A 74 3.636 1.738 7.434 1.00 0.00 H new ATOM 0 HA HIS A 74 6.438 1.759 7.650 1.00 0.00 H new ATOM 0 HB2 HIS A 74 4.517 -0.304 6.491 1.00 0.00 H new ATOM 0 HB3 HIS A 74 6.209 -0.611 6.827 1.00 0.00 H new ATOM 0 HD1 HIS A 74 2.907 0.033 8.649 1.00 0.00 H new ATOM 0 HD2 HIS A 74 6.871 -1.188 9.387 1.00 0.00 H new ATOM 0 HE1 HIS A 74 2.888 -1.134 10.934 1.00 0.00 H new ATOM 1171 N LEU A 75 5.268 1.715 4.529 1.00 0.00 N ATOM 1172 CA LEU A 75 5.648 1.908 3.126 1.00 0.00 C ATOM 1173 C LEU A 75 6.340 3.264 2.920 1.00 0.00 C ATOM 1174 O LEU A 75 7.399 3.312 2.303 1.00 0.00 O ATOM 1175 CB LEU A 75 4.403 1.805 2.222 1.00 0.00 C ATOM 1176 CG LEU A 75 4.221 0.446 1.525 1.00 0.00 C ATOM 1177 CD1 LEU A 75 4.385 -0.757 2.462 1.00 0.00 C ATOM 1178 CD2 LEU A 75 2.840 0.422 0.869 1.00 0.00 C ATOM 0 H LEU A 75 4.265 1.590 4.670 1.00 0.00 H new ATOM 0 HA LEU A 75 6.354 1.123 2.855 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.517 2.010 2.823 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.459 2.583 1.461 1.00 0.00 H new ATOM 0 HG LEU A 75 5.013 0.348 0.783 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.243 -1.679 1.899 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.385 -0.747 2.895 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.644 -0.701 3.259 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.691 -0.535 0.369 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.073 0.556 1.631 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.770 1.228 0.139 1.00 0.00 H new ATOM 1190 N ILE A 76 5.809 4.355 3.482 1.00 0.00 N ATOM 1191 CA ILE A 76 6.463 5.673 3.409 1.00 0.00 C ATOM 1192 C ILE A 76 7.800 5.707 4.178 1.00 0.00 C ATOM 1193 O ILE A 76 8.761 6.314 3.706 1.00 0.00 O ATOM 1194 CB ILE A 76 5.466 6.792 3.803 1.00 0.00 C ATOM 1195 CG1 ILE A 76 5.966 8.205 3.466 1.00 0.00 C ATOM 1196 CG2 ILE A 76 4.960 6.773 5.252 1.00 0.00 C ATOM 1197 CD1 ILE A 76 6.776 8.921 4.558 1.00 0.00 C ATOM 0 H ILE A 76 4.927 4.355 3.994 1.00 0.00 H new ATOM 0 HA ILE A 76 6.747 5.867 2.375 1.00 0.00 H new ATOM 0 HB ILE A 76 4.611 6.544 3.174 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.581 8.145 2.568 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.103 8.823 3.220 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.270 7.602 5.407 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.445 5.832 5.445 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.805 6.871 5.934 1.00 0.00 H new ATOM 0 HD11 ILE A 76 7.073 9.908 4.203 1.00 0.00 H new ATOM 0 HD12 ILE A 76 6.165 9.026 5.454 1.00 0.00 H new ATOM 0 HD13 ILE A 76 7.666 8.337 4.792 1.00 0.00 H new ATOM 1209 N ASN A 77 7.908 5.001 5.314 1.00 0.00 N ATOM 1210 CA ASN A 77 9.156 4.887 6.092 1.00 0.00 C ATOM 1211 C ASN A 77 10.250 4.040 5.409 1.00 0.00 C ATOM 1212 O ASN A 77 11.437 4.340 5.554 1.00 0.00 O ATOM 1213 CB ASN A 77 8.843 4.314 7.491 1.00 0.00 C ATOM 1214 CG ASN A 77 8.567 5.412 8.502 1.00 0.00 C ATOM 1215 OD1 ASN A 77 9.385 5.705 9.362 1.00 0.00 O ATOM 1216 ND2 ASN A 77 7.441 6.081 8.403 1.00 0.00 N ATOM 0 H ASN A 77 7.127 4.488 5.723 1.00 0.00 H new ATOM 0 HA ASN A 77 9.563 5.895 6.168 1.00 0.00 H new ATOM 0 HB2 ASN A 77 7.979 3.653 7.428 1.00 0.00 H new ATOM 0 HB3 ASN A 77 9.683 3.709 7.832 1.00 0.00 H new ATOM 0 HD21 ASN A 77 7.246 6.849 9.045 1.00 0.00 H new ATOM 0 HD22 ASN A 77 6.762 5.833 7.684 1.00 0.00 H new ATOM 1223 N HIS A 78 9.864 2.987 4.680 1.00 0.00 N ATOM 1224 CA HIS A 78 10.777 1.930 4.193 1.00 0.00 C ATOM 1225 C HIS A 78 10.947 1.854 2.670 1.00 0.00 C ATOM 1226 O HIS A 78 11.954 1.334 2.186 1.00 0.00 O ATOM 1227 CB HIS A 78 10.297 0.572 4.721 1.00 0.00 C ATOM 1228 CG HIS A 78 10.460 0.405 6.214 1.00 0.00 C ATOM 1229 ND1 HIS A 78 11.668 0.305 6.885 1.00 0.00 N ATOM 1230 CD2 HIS A 78 9.459 0.323 7.148 1.00 0.00 C ATOM 1231 CE1 HIS A 78 11.409 0.171 8.201 1.00 0.00 C ATOM 1232 NE2 HIS A 78 10.072 0.183 8.384 1.00 0.00 N ATOM 0 H HIS A 78 8.894 2.837 4.404 1.00 0.00 H new ATOM 0 HA HIS A 78 11.762 2.195 4.577 1.00 0.00 H new ATOM 0 HB2 HIS A 78 9.246 0.444 4.463 1.00 0.00 H new ATOM 0 HB3 HIS A 78 10.848 -0.220 4.214 1.00 0.00 H new ATOM 0 HD2 HIS A 78 8.397 0.360 6.957 1.00 0.00 H new ATOM 0 HE1 HIS A 78 12.150 0.071 8.981 1.00 0.00 H new ATOM 0 HE2 HIS A 78 9.593 0.103 9.281 1.00 0.00 H new ATOM 1241 N LYS A 79 9.996 2.399 1.913 1.00 0.00 N ATOM 1242 CA LYS A 79 9.994 2.520 0.445 1.00 0.00 C ATOM 1243 C LYS A 79 9.635 3.952 0.019 1.00 0.00 C ATOM 1244 O LYS A 79 8.709 4.135 -0.765 1.00 0.00 O ATOM 1245 CB LYS A 79 9.054 1.441 -0.152 1.00 0.00 C ATOM 1246 CG LYS A 79 9.671 0.042 -0.288 1.00 0.00 C ATOM 1247 CD LYS A 79 10.581 -0.109 -1.521 1.00 0.00 C ATOM 1248 CE LYS A 79 11.943 0.587 -1.369 1.00 0.00 C ATOM 1249 NZ LYS A 79 12.971 0.015 -2.279 1.00 0.00 N ATOM 0 H LYS A 79 9.152 2.794 2.328 1.00 0.00 H new ATOM 0 HA LYS A 79 10.992 2.337 0.047 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.165 1.369 0.474 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.725 1.773 -1.137 1.00 0.00 H new ATOM 0 HG2 LYS A 79 10.248 -0.181 0.609 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.871 -0.696 -0.344 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.744 -1.169 -1.715 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.069 0.299 -2.392 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.830 1.651 -1.575 1.00 0.00 H new ATOM 0 HE3 LYS A 79 12.282 0.496 -0.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 13.873 0.515 -2.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 13.099 -0.995 -2.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 12.661 0.125 -3.266 1.00 0.00 H new ATOM 1263 N PRO A 80 10.362 4.981 0.493 1.00 0.00 N ATOM 1264 CA PRO A 80 10.026 6.392 0.251 1.00 0.00 C ATOM 1265 C PRO A 80 10.016 6.758 -1.245 1.00 0.00 C ATOM 1266 O PRO A 80 9.120 7.461 -1.714 1.00 0.00 O ATOM 1267 CB PRO A 80 11.076 7.193 1.034 1.00 0.00 C ATOM 1268 CG PRO A 80 12.270 6.241 1.109 1.00 0.00 C ATOM 1269 CD PRO A 80 11.621 4.863 1.216 1.00 0.00 C ATOM 0 HA PRO A 80 9.012 6.616 0.583 1.00 0.00 H new ATOM 0 HB2 PRO A 80 11.334 8.121 0.524 1.00 0.00 H new ATOM 0 HB3 PRO A 80 10.716 7.464 2.027 1.00 0.00 H new ATOM 0 HG2 PRO A 80 12.902 6.319 0.224 1.00 0.00 H new ATOM 0 HG3 PRO A 80 12.901 6.456 1.972 1.00 0.00 H new ATOM 0 HD2 PRO A 80 12.256 4.093 0.779 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.454 4.585 2.257 1.00 0.00 H new ATOM 1277 N ASP A 81 10.980 6.237 -2.011 1.00 0.00 N ATOM 1278 CA ASP A 81 11.078 6.441 -3.467 1.00 0.00 C ATOM 1279 C ASP A 81 9.902 5.831 -4.259 1.00 0.00 C ATOM 1280 O ASP A 81 9.411 6.444 -5.208 1.00 0.00 O ATOM 1281 CB ASP A 81 12.412 5.857 -3.951 1.00 0.00 C ATOM 1282 CG ASP A 81 12.626 6.077 -5.459 1.00 0.00 C ATOM 1283 OD1 ASP A 81 13.005 7.203 -5.856 1.00 0.00 O ATOM 1284 OD2 ASP A 81 12.434 5.117 -6.242 1.00 0.00 O ATOM 0 H ASP A 81 11.727 5.653 -1.635 1.00 0.00 H new ATOM 0 HA ASP A 81 11.030 7.514 -3.654 1.00 0.00 H new ATOM 0 HB2 ASP A 81 13.231 6.317 -3.398 1.00 0.00 H new ATOM 0 HB3 ASP A 81 12.440 4.789 -3.733 1.00 0.00 H new ATOM 1289 N VAL A 82 9.422 4.640 -3.872 1.00 0.00 N ATOM 1290 CA VAL A 82 8.256 3.992 -4.509 1.00 0.00 C ATOM 1291 C VAL A 82 6.936 4.564 -3.986 1.00 0.00 C ATOM 1292 O VAL A 82 6.014 4.795 -4.766 1.00 0.00 O ATOM 1293 CB VAL A 82 8.288 2.462 -4.347 1.00 0.00 C ATOM 1294 CG1 VAL A 82 7.066 1.820 -5.010 1.00 0.00 C ATOM 1295 CG2 VAL A 82 9.548 1.867 -4.990 1.00 0.00 C ATOM 0 H VAL A 82 9.827 4.096 -3.110 1.00 0.00 H new ATOM 0 HA VAL A 82 8.320 4.213 -5.574 1.00 0.00 H new ATOM 0 HB VAL A 82 8.285 2.253 -3.277 1.00 0.00 H new ATOM 0 HG11 VAL A 82 7.110 0.738 -4.883 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.157 2.203 -4.546 1.00 0.00 H new ATOM 0 HG13 VAL A 82 7.060 2.061 -6.073 1.00 0.00 H new ATOM 0 HG21 VAL A 82 9.546 0.785 -4.861 1.00 0.00 H new ATOM 0 HG22 VAL A 82 9.561 2.106 -6.053 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.433 2.287 -4.513 1.00 0.00 H new ATOM 1305 N TRP A 83 6.855 4.874 -2.691 1.00 0.00 N ATOM 1306 CA TRP A 83 5.737 5.605 -2.091 1.00 0.00 C ATOM 1307 C TRP A 83 5.416 6.908 -2.837 1.00 0.00 C ATOM 1308 O TRP A 83 4.245 7.177 -3.104 1.00 0.00 O ATOM 1309 CB TRP A 83 6.052 5.894 -0.619 1.00 0.00 C ATOM 1310 CG TRP A 83 5.197 6.968 -0.036 1.00 0.00 C ATOM 1311 CD1 TRP A 83 5.591 8.241 0.190 1.00 0.00 C ATOM 1312 CD2 TRP A 83 3.767 6.936 0.236 1.00 0.00 C ATOM 1313 NE1 TRP A 83 4.514 8.988 0.621 1.00 0.00 N ATOM 1314 CE2 TRP A 83 3.361 8.238 0.656 1.00 0.00 C ATOM 1315 CE3 TRP A 83 2.768 5.947 0.125 1.00 0.00 C ATOM 1316 CZ2 TRP A 83 2.032 8.540 0.971 1.00 0.00 C ATOM 1317 CZ3 TRP A 83 1.423 6.250 0.399 1.00 0.00 C ATOM 1318 CH2 TRP A 83 1.061 7.540 0.825 1.00 0.00 C ATOM 0 H TRP A 83 7.577 4.620 -2.017 1.00 0.00 H new ATOM 0 HA TRP A 83 4.850 4.977 -2.167 1.00 0.00 H new ATOM 0 HB2 TRP A 83 5.922 4.980 -0.040 1.00 0.00 H new ATOM 0 HB3 TRP A 83 7.099 6.182 -0.528 1.00 0.00 H new ATOM 0 HD1 TRP A 83 6.595 8.616 0.054 1.00 0.00 H new ATOM 0 HE1 TRP A 83 4.566 9.973 0.881 1.00 0.00 H new ATOM 0 HE3 TRP A 83 3.039 4.945 -0.174 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 1.759 9.525 1.320 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 0.665 5.489 0.282 1.00 0.00 H new ATOM 0 HH2 TRP A 83 0.026 7.762 1.041 1.00 0.00 H new ATOM 1329 N ALA A 84 6.429 7.678 -3.250 1.00 0.00 N ATOM 1330 CA ALA A 84 6.239 8.884 -4.059 1.00 0.00 C ATOM 1331 C ALA A 84 5.440 8.624 -5.355 1.00 0.00 C ATOM 1332 O ALA A 84 4.701 9.499 -5.802 1.00 0.00 O ATOM 1333 CB ALA A 84 7.612 9.502 -4.349 1.00 0.00 C ATOM 0 H ALA A 84 7.406 7.481 -3.031 1.00 0.00 H new ATOM 0 HA ALA A 84 5.632 9.588 -3.490 1.00 0.00 H new ATOM 0 HB1 ALA A 84 7.486 10.402 -4.951 1.00 0.00 H new ATOM 0 HB2 ALA A 84 8.101 9.760 -3.409 1.00 0.00 H new ATOM 0 HB3 ALA A 84 8.226 8.784 -4.893 1.00 0.00 H new ATOM 1339 N GLN A 85 5.527 7.421 -5.934 1.00 0.00 N ATOM 1340 CA GLN A 85 4.767 7.011 -7.125 1.00 0.00 C ATOM 1341 C GLN A 85 3.303 6.683 -6.791 1.00 0.00 C ATOM 1342 O GLN A 85 2.405 7.029 -7.562 1.00 0.00 O ATOM 1343 CB GLN A 85 5.439 5.802 -7.808 1.00 0.00 C ATOM 1344 CG GLN A 85 6.958 6.003 -7.925 1.00 0.00 C ATOM 1345 CD GLN A 85 7.639 5.087 -8.940 1.00 0.00 C ATOM 1346 OE1 GLN A 85 7.133 4.806 -10.019 1.00 0.00 O ATOM 1347 NE2 GLN A 85 8.824 4.594 -8.643 1.00 0.00 N ATOM 0 H GLN A 85 6.141 6.687 -5.581 1.00 0.00 H new ATOM 0 HA GLN A 85 4.767 7.857 -7.813 1.00 0.00 H new ATOM 0 HB2 GLN A 85 5.232 4.897 -7.237 1.00 0.00 H new ATOM 0 HB3 GLN A 85 5.011 5.657 -8.800 1.00 0.00 H new ATOM 0 HG2 GLN A 85 7.155 7.039 -8.199 1.00 0.00 H new ATOM 0 HG3 GLN A 85 7.410 5.841 -6.947 1.00 0.00 H new ATOM 0 HE21 GLN A 85 9.260 4.818 -7.748 1.00 0.00 H new ATOM 0 HE22 GLN A 85 9.306 3.988 -9.308 1.00 0.00 H new ATOM 1356 N LEU A 86 3.060 6.076 -5.620 1.00 0.00 N ATOM 1357 CA LEU A 86 1.709 5.861 -5.069 1.00 0.00 C ATOM 1358 C LEU A 86 1.016 7.213 -4.874 1.00 0.00 C ATOM 1359 O LEU A 86 0.051 7.519 -5.574 1.00 0.00 O ATOM 1360 CB LEU A 86 1.794 5.077 -3.732 1.00 0.00 C ATOM 1361 CG LEU A 86 0.505 4.495 -3.110 1.00 0.00 C ATOM 1362 CD1 LEU A 86 -0.492 5.560 -2.650 1.00 0.00 C ATOM 1363 CD2 LEU A 86 -0.204 3.513 -4.038 1.00 0.00 C ATOM 0 H LEU A 86 3.802 5.716 -5.021 1.00 0.00 H new ATOM 0 HA LEU A 86 1.120 5.267 -5.768 1.00 0.00 H new ATOM 0 HB2 LEU A 86 2.487 4.249 -3.882 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.244 5.740 -2.992 1.00 0.00 H new ATOM 0 HG LEU A 86 0.856 3.961 -2.227 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.371 5.076 -2.225 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.026 6.193 -1.895 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.791 6.171 -3.502 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.103 3.135 -3.550 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.479 4.020 -4.963 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.462 2.681 -4.265 1.00 0.00 H new ATOM 1375 N LYS A 87 1.552 8.062 -3.982 1.00 0.00 N ATOM 1376 CA LYS A 87 0.915 9.332 -3.600 1.00 0.00 C ATOM 1377 C LYS A 87 0.766 10.318 -4.757 1.00 0.00 C ATOM 1378 O LYS A 87 -0.157 11.117 -4.753 1.00 0.00 O ATOM 1379 CB LYS A 87 1.607 10.003 -2.410 1.00 0.00 C ATOM 1380 CG LYS A 87 3.124 10.190 -2.541 1.00 0.00 C ATOM 1381 CD LYS A 87 3.599 11.467 -1.843 1.00 0.00 C ATOM 1382 CE LYS A 87 3.344 12.685 -2.741 1.00 0.00 C ATOM 1383 NZ LYS A 87 2.947 13.875 -1.950 1.00 0.00 N ATOM 0 H LYS A 87 2.437 7.887 -3.506 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.092 9.050 -3.293 1.00 0.00 H new ATOM 0 HB2 LYS A 87 1.151 10.981 -2.252 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.408 9.411 -1.517 1.00 0.00 H new ATOM 0 HG2 LYS A 87 3.635 9.329 -2.111 1.00 0.00 H new ATOM 0 HG3 LYS A 87 3.396 10.229 -3.596 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.075 11.589 -0.895 1.00 0.00 H new ATOM 0 HD3 LYS A 87 4.662 11.391 -1.613 1.00 0.00 H new ATOM 0 HE2 LYS A 87 4.244 12.911 -3.312 1.00 0.00 H new ATOM 0 HE3 LYS A 87 2.561 12.449 -3.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 2.750 14.669 -2.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 2.093 13.656 -1.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 3.719 14.136 -1.304 1.00 0.00 H new ATOM 1397 N ALA A 88 1.642 10.276 -5.754 1.00 0.00 N ATOM 1398 CA ALA A 88 1.562 11.155 -6.925 1.00 0.00 C ATOM 1399 C ALA A 88 0.306 10.887 -7.771 1.00 0.00 C ATOM 1400 O ALA A 88 -0.405 11.823 -8.144 1.00 0.00 O ATOM 1401 CB ALA A 88 2.822 10.987 -7.774 1.00 0.00 C ATOM 0 H ALA A 88 2.432 9.631 -5.778 1.00 0.00 H new ATOM 0 HA ALA A 88 1.490 12.182 -6.568 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.764 11.640 -8.645 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.698 11.250 -7.181 1.00 0.00 H new ATOM 0 HB3 ALA A 88 2.904 9.951 -8.102 1.00 0.00 H new ATOM 1407 N LYS A 89 0.012 9.609 -8.049 1.00 0.00 N ATOM 1408 CA LYS A 89 -1.191 9.194 -8.786 1.00 0.00 C ATOM 1409 C LYS A 89 -2.447 9.214 -7.903 1.00 0.00 C ATOM 1410 O LYS A 89 -3.531 9.554 -8.378 1.00 0.00 O ATOM 1411 CB LYS A 89 -0.935 7.809 -9.409 1.00 0.00 C ATOM 1412 CG LYS A 89 -1.896 7.521 -10.572 1.00 0.00 C ATOM 1413 CD LYS A 89 -1.558 6.190 -11.263 1.00 0.00 C ATOM 1414 CE LYS A 89 -2.296 6.017 -12.600 1.00 0.00 C ATOM 1415 NZ LYS A 89 -3.771 5.904 -12.435 1.00 0.00 N ATOM 0 H LYS A 89 0.606 8.829 -7.767 1.00 0.00 H new ATOM 0 HA LYS A 89 -1.388 9.911 -9.583 1.00 0.00 H new ATOM 0 HB2 LYS A 89 0.094 7.755 -9.765 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -1.048 7.040 -8.645 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -2.920 7.490 -10.200 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -1.845 8.333 -11.298 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.483 6.137 -11.435 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -1.816 5.364 -10.600 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -2.071 6.866 -13.246 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -1.922 5.125 -13.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -4.217 5.789 -13.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -3.992 5.079 -11.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -4.136 6.765 -11.980 1.00 0.00 H new ATOM 1429 N TYR A 90 -2.298 8.872 -6.620 1.00 0.00 N ATOM 1430 CA TYR A 90 -3.399 8.762 -5.653 1.00 0.00 C ATOM 1431 C TYR A 90 -3.787 10.105 -5.003 1.00 0.00 C ATOM 1432 O TYR A 90 -4.905 10.237 -4.503 1.00 0.00 O ATOM 1433 CB TYR A 90 -3.030 7.721 -4.575 1.00 0.00 C ATOM 1434 CG TYR A 90 -3.247 6.256 -4.953 1.00 0.00 C ATOM 1435 CD1 TYR A 90 -3.112 5.781 -6.278 1.00 0.00 C ATOM 1436 CD2 TYR A 90 -3.551 5.341 -3.928 1.00 0.00 C ATOM 1437 CE1 TYR A 90 -3.291 4.415 -6.574 1.00 0.00 C ATOM 1438 CE2 TYR A 90 -3.698 3.969 -4.217 1.00 0.00 C ATOM 1439 CZ TYR A 90 -3.589 3.501 -5.543 1.00 0.00 C ATOM 1440 OH TYR A 90 -3.773 2.182 -5.831 1.00 0.00 O ATOM 0 H TYR A 90 -1.387 8.658 -6.213 1.00 0.00 H new ATOM 0 HA TYR A 90 -4.280 8.437 -6.206 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -1.981 7.856 -4.313 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -3.613 7.934 -3.679 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -2.869 6.472 -7.071 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -3.672 5.692 -2.914 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -3.200 4.068 -7.593 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -3.896 3.271 -3.417 1.00 0.00 H new ATOM 0 HH TYR A 90 -4.337 1.772 -5.142 1.00 0.00 H new ATOM 1450 N ASP A 91 -2.901 11.104 -5.026 1.00 0.00 N ATOM 1451 CA ASP A 91 -3.087 12.431 -4.426 1.00 0.00 C ATOM 1452 C ASP A 91 -2.316 13.517 -5.219 1.00 0.00 C ATOM 1453 O ASP A 91 -1.267 14.003 -4.776 1.00 0.00 O ATOM 1454 CB ASP A 91 -2.676 12.409 -2.943 1.00 0.00 C ATOM 1455 CG ASP A 91 -3.086 13.715 -2.221 1.00 0.00 C ATOM 1456 OD1 ASP A 91 -3.678 14.629 -2.847 1.00 0.00 O ATOM 1457 OD2 ASP A 91 -2.776 13.850 -1.017 1.00 0.00 O ATOM 0 H ASP A 91 -1.994 11.007 -5.483 1.00 0.00 H new ATOM 0 HA ASP A 91 -4.145 12.689 -4.477 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.142 11.557 -2.448 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -1.597 12.272 -2.865 1.00 0.00 H new ATOM 1462 N PRO A 92 -2.798 13.903 -6.417 1.00 0.00 N ATOM 1463 CA PRO A 92 -2.087 14.797 -7.342 1.00 0.00 C ATOM 1464 C PRO A 92 -1.889 16.241 -6.835 1.00 0.00 C ATOM 1465 O PRO A 92 -1.177 17.019 -7.472 1.00 0.00 O ATOM 1466 CB PRO A 92 -2.899 14.756 -8.642 1.00 0.00 C ATOM 1467 CG PRO A 92 -4.313 14.454 -8.154 1.00 0.00 C ATOM 1468 CD PRO A 92 -4.066 13.488 -6.999 1.00 0.00 C ATOM 0 HA PRO A 92 -1.062 14.449 -7.469 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -2.851 15.704 -9.178 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -2.534 13.986 -9.322 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -4.830 15.356 -7.825 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -4.924 14.003 -8.936 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -4.871 13.538 -6.265 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -4.019 12.458 -7.351 1.00 0.00 H new ATOM 1476 N ASP A 93 -2.479 16.607 -5.691 1.00 0.00 N ATOM 1477 CA ASP A 93 -2.338 17.916 -5.036 1.00 0.00 C ATOM 1478 C ASP A 93 -1.630 17.839 -3.664 1.00 0.00 C ATOM 1479 O ASP A 93 -1.353 18.876 -3.052 1.00 0.00 O ATOM 1480 CB ASP A 93 -3.727 18.563 -4.911 1.00 0.00 C ATOM 1481 CG ASP A 93 -4.289 18.998 -6.275 1.00 0.00 C ATOM 1482 OD1 ASP A 93 -3.823 20.030 -6.818 1.00 0.00 O ATOM 1483 OD2 ASP A 93 -5.216 18.333 -6.799 1.00 0.00 O ATOM 0 H ASP A 93 -3.092 15.976 -5.175 1.00 0.00 H new ATOM 0 HA ASP A 93 -1.693 18.535 -5.660 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -4.414 17.857 -4.445 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -3.665 19.429 -4.252 1.00 0.00 H new ATOM 1488 N GLY A 94 -1.307 16.635 -3.171 1.00 0.00 N ATOM 1489 CA GLY A 94 -0.709 16.420 -1.842 1.00 0.00 C ATOM 1490 C GLY A 94 -1.604 16.860 -0.672 1.00 0.00 C ATOM 1491 O GLY A 94 -1.091 17.238 0.385 1.00 0.00 O ATOM 0 H GLY A 94 -1.455 15.770 -3.690 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -0.475 15.362 -1.728 1.00 0.00 H new ATOM 0 HA3 GLY A 94 0.234 16.963 -1.788 1.00 0.00 H new ATOM 1495 N THR A 95 -2.924 16.890 -0.867 1.00 0.00 N ATOM 1496 CA THR A 95 -3.913 17.428 0.084 1.00 0.00 C ATOM 1497 C THR A 95 -4.049 16.586 1.360 1.00 0.00 C ATOM 1498 O THR A 95 -4.347 17.137 2.422 1.00 0.00 O ATOM 1499 CB THR A 95 -5.286 17.566 -0.603 1.00 0.00 C ATOM 1500 OG1 THR A 95 -5.164 18.334 -1.784 1.00 0.00 O ATOM 1501 CG2 THR A 95 -6.346 18.264 0.252 1.00 0.00 C ATOM 0 H THR A 95 -3.354 16.529 -1.719 1.00 0.00 H new ATOM 0 HA THR A 95 -3.547 18.407 0.392 1.00 0.00 H new ATOM 0 HB THR A 95 -5.606 16.542 -0.794 1.00 0.00 H new ATOM 0 HG1 THR A 95 -6.041 18.414 -2.214 1.00 0.00 H new ATOM 0 HG21 THR A 95 -7.282 18.321 -0.304 1.00 0.00 H new ATOM 0 HG22 THR A 95 -6.503 17.698 1.170 1.00 0.00 H new ATOM 0 HG23 THR A 95 -6.009 19.271 0.499 1.00 0.00 H new ATOM 1509 N TYR A 96 -3.789 15.275 1.294 1.00 0.00 N ATOM 1510 CA TYR A 96 -3.912 14.351 2.432 1.00 0.00 C ATOM 1511 C TYR A 96 -2.725 13.390 2.588 1.00 0.00 C ATOM 1512 O TYR A 96 -2.430 13.009 3.719 1.00 0.00 O ATOM 1513 CB TYR A 96 -5.254 13.598 2.392 1.00 0.00 C ATOM 1514 CG TYR A 96 -5.733 13.251 1.002 1.00 0.00 C ATOM 1515 CD1 TYR A 96 -5.187 12.148 0.323 1.00 0.00 C ATOM 1516 CD2 TYR A 96 -6.659 14.095 0.359 1.00 0.00 C ATOM 1517 CE1 TYR A 96 -5.554 11.903 -1.010 1.00 0.00 C ATOM 1518 CE2 TYR A 96 -7.025 13.851 -0.975 1.00 0.00 C ATOM 1519 CZ TYR A 96 -6.472 12.752 -1.668 1.00 0.00 C ATOM 1520 OH TYR A 96 -6.814 12.515 -2.963 1.00 0.00 O ATOM 0 H TYR A 96 -3.482 14.817 0.436 1.00 0.00 H new ATOM 0 HA TYR A 96 -3.893 14.975 3.326 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -5.159 12.679 2.970 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -6.013 14.207 2.883 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -4.489 11.493 0.824 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -7.088 14.931 0.892 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -5.132 11.060 -1.536 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -7.729 14.503 -1.470 1.00 0.00 H new ATOM 0 HH TYR A 96 -6.222 11.830 -3.338 1.00 0.00 H new ATOM 1530 N SER A 97 -1.969 13.072 1.526 1.00 0.00 N ATOM 1531 CA SER A 97 -0.733 12.276 1.624 1.00 0.00 C ATOM 1532 C SER A 97 0.286 12.920 2.575 1.00 0.00 C ATOM 1533 O SER A 97 0.971 12.252 3.353 1.00 0.00 O ATOM 1534 CB SER A 97 -0.099 12.058 0.238 1.00 0.00 C ATOM 1535 OG SER A 97 0.577 13.209 -0.261 1.00 0.00 O ATOM 0 H SER A 97 -2.196 13.359 0.574 1.00 0.00 H new ATOM 0 HA SER A 97 -1.013 11.306 2.036 1.00 0.00 H new ATOM 0 HB2 SER A 97 0.605 11.228 0.295 1.00 0.00 H new ATOM 0 HB3 SER A 97 -0.877 11.768 -0.468 1.00 0.00 H new ATOM 0 HG SER A 97 0.222 13.439 -1.145 1.00 0.00 H new ATOM 1541 N LYS A 98 0.368 14.257 2.522 1.00 0.00 N ATOM 1542 CA LYS A 98 1.334 15.092 3.245 1.00 0.00 C ATOM 1543 C LYS A 98 1.193 15.020 4.771 1.00 0.00 C ATOM 1544 O LYS A 98 2.180 15.214 5.478 1.00 0.00 O ATOM 1545 CB LYS A 98 1.235 16.520 2.686 1.00 0.00 C ATOM 1546 CG LYS A 98 2.451 17.384 3.049 1.00 0.00 C ATOM 1547 CD LYS A 98 2.572 18.640 2.172 1.00 0.00 C ATOM 1548 CE LYS A 98 1.419 19.640 2.355 1.00 0.00 C ATOM 1549 NZ LYS A 98 0.376 19.518 1.300 1.00 0.00 N ATOM 0 H LYS A 98 -0.267 14.810 1.947 1.00 0.00 H new ATOM 0 HA LYS A 98 2.339 14.706 3.075 1.00 0.00 H new ATOM 0 HB2 LYS A 98 1.137 16.475 1.601 1.00 0.00 H new ATOM 0 HB3 LYS A 98 0.331 16.994 3.068 1.00 0.00 H new ATOM 0 HG2 LYS A 98 2.380 17.682 4.095 1.00 0.00 H new ATOM 0 HG3 LYS A 98 3.358 16.788 2.949 1.00 0.00 H new ATOM 0 HD2 LYS A 98 3.513 19.140 2.399 1.00 0.00 H new ATOM 0 HD3 LYS A 98 2.615 18.338 1.126 1.00 0.00 H new ATOM 0 HE2 LYS A 98 0.961 19.484 3.332 1.00 0.00 H new ATOM 0 HE3 LYS A 98 1.819 20.654 2.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -0.431 20.130 1.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 0.773 19.808 0.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 0.056 18.530 1.241 1.00 0.00 H new ATOM 1563 N LYS A 99 0.004 14.663 5.276 1.00 0.00 N ATOM 1564 CA LYS A 99 -0.304 14.482 6.711 1.00 0.00 C ATOM 1565 C LYS A 99 0.588 13.445 7.414 1.00 0.00 C ATOM 1566 O LYS A 99 0.785 13.541 8.626 1.00 0.00 O ATOM 1567 CB LYS A 99 -1.791 14.141 6.886 1.00 0.00 C ATOM 1568 CG LYS A 99 -2.693 15.278 6.368 1.00 0.00 C ATOM 1569 CD LYS A 99 -4.169 15.088 6.739 1.00 0.00 C ATOM 1570 CE LYS A 99 -4.365 15.268 8.250 1.00 0.00 C ATOM 1571 NZ LYS A 99 -5.799 15.188 8.633 1.00 0.00 N ATOM 0 H LYS A 99 -0.803 14.485 4.678 1.00 0.00 H new ATOM 0 HA LYS A 99 -0.083 15.431 7.200 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -2.020 13.220 6.350 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -2.002 13.958 7.940 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -2.341 16.227 6.773 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -2.602 15.341 5.284 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -4.783 15.808 6.197 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -4.502 14.095 6.438 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -3.803 14.502 8.783 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -3.960 16.232 8.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -5.891 15.314 9.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -6.331 15.935 8.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -6.179 14.258 8.363 1.00 0.00 H new ATOM 1585 N TYR A 100 1.147 12.489 6.665 1.00 0.00 N ATOM 1586 CA TYR A 100 2.045 11.438 7.165 1.00 0.00 C ATOM 1587 C TYR A 100 3.306 11.251 6.301 1.00 0.00 C ATOM 1588 O TYR A 100 4.311 10.766 6.818 1.00 0.00 O ATOM 1589 CB TYR A 100 1.265 10.127 7.350 1.00 0.00 C ATOM 1590 CG TYR A 100 0.316 9.840 6.210 1.00 0.00 C ATOM 1591 CD1 TYR A 100 -0.979 10.390 6.238 1.00 0.00 C ATOM 1592 CD2 TYR A 100 0.754 9.121 5.086 1.00 0.00 C ATOM 1593 CE1 TYR A 100 -1.820 10.265 5.122 1.00 0.00 C ATOM 1594 CE2 TYR A 100 -0.094 8.983 3.977 1.00 0.00 C ATOM 1595 CZ TYR A 100 -1.385 9.558 3.983 1.00 0.00 C ATOM 1596 OH TYR A 100 -2.233 9.381 2.931 1.00 0.00 O ATOM 0 H TYR A 100 0.983 12.422 5.661 1.00 0.00 H new ATOM 0 HA TYR A 100 2.418 11.761 8.137 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.970 9.301 7.445 1.00 0.00 H new ATOM 0 HB3 TYR A 100 0.701 10.174 8.282 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -1.326 10.909 7.119 1.00 0.00 H new ATOM 0 HD2 TYR A 100 1.738 8.677 5.075 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -2.803 10.712 5.136 1.00 0.00 H new ATOM 0 HE2 TYR A 100 0.243 8.432 3.111 1.00 0.00 H new ATOM 0 HH TYR A 100 -1.778 8.874 2.226 1.00 0.00 H new ATOM 1606 N GLU A 101 3.325 11.689 5.036 1.00 0.00 N ATOM 1607 CA GLU A 101 4.565 11.801 4.246 1.00 0.00 C ATOM 1608 C GLU A 101 5.587 12.756 4.900 1.00 0.00 C ATOM 1609 O GLU A 101 6.768 12.421 5.013 1.00 0.00 O ATOM 1610 CB GLU A 101 4.215 12.240 2.816 1.00 0.00 C ATOM 1611 CG GLU A 101 5.409 12.345 1.852 1.00 0.00 C ATOM 1612 CD GLU A 101 5.441 13.717 1.153 1.00 0.00 C ATOM 1613 OE1 GLU A 101 4.591 13.955 0.262 1.00 0.00 O ATOM 1614 OE2 GLU A 101 6.310 14.557 1.491 1.00 0.00 O ATOM 0 H GLU A 101 2.487 11.975 4.530 1.00 0.00 H new ATOM 0 HA GLU A 101 5.045 10.823 4.212 1.00 0.00 H new ATOM 0 HB2 GLU A 101 3.496 11.533 2.402 1.00 0.00 H new ATOM 0 HB3 GLU A 101 3.719 13.210 2.862 1.00 0.00 H new ATOM 0 HG2 GLU A 101 6.338 12.192 2.401 1.00 0.00 H new ATOM 0 HG3 GLU A 101 5.347 11.554 1.104 1.00 0.00 H new ATOM 1621 N ASP A 102 5.128 13.906 5.410 1.00 0.00 N ATOM 1622 CA ASP A 102 5.958 14.907 6.103 1.00 0.00 C ATOM 1623 C ASP A 102 6.687 14.359 7.349 1.00 0.00 C ATOM 1624 O ASP A 102 7.720 14.902 7.750 1.00 0.00 O ATOM 1625 CB ASP A 102 5.080 16.114 6.464 1.00 0.00 C ATOM 1626 CG ASP A 102 5.881 17.274 7.081 1.00 0.00 C ATOM 1627 OD1 ASP A 102 6.668 17.921 6.349 1.00 0.00 O ATOM 1628 OD2 ASP A 102 5.695 17.567 8.287 1.00 0.00 O ATOM 0 H ASP A 102 4.146 14.175 5.352 1.00 0.00 H new ATOM 0 HA ASP A 102 6.752 15.204 5.418 1.00 0.00 H new ATOM 0 HB2 ASP A 102 4.571 16.467 5.568 1.00 0.00 H new ATOM 0 HB3 ASP A 102 4.308 15.798 7.166 1.00 0.00 H new ATOM 1633 N ARG A 103 6.173 13.270 7.948 1.00 0.00 N ATOM 1634 CA ARG A 103 6.777 12.574 9.100 1.00 0.00 C ATOM 1635 C ARG A 103 8.214 12.112 8.838 1.00 0.00 C ATOM 1636 O ARG A 103 9.024 12.099 9.763 1.00 0.00 O ATOM 1637 CB ARG A 103 5.892 11.377 9.491 1.00 0.00 C ATOM 1638 CG ARG A 103 6.197 10.840 10.896 1.00 0.00 C ATOM 1639 CD ARG A 103 5.121 9.843 11.338 1.00 0.00 C ATOM 1640 NE ARG A 103 5.408 9.305 12.683 1.00 0.00 N ATOM 1641 CZ ARG A 103 4.723 9.483 13.800 1.00 0.00 C ATOM 1642 NH1 ARG A 103 3.641 10.208 13.853 1.00 0.00 N ATOM 1643 NH2 ARG A 103 5.114 8.919 14.905 1.00 0.00 N ATOM 0 H ARG A 103 5.303 12.838 7.637 1.00 0.00 H new ATOM 0 HA ARG A 103 6.832 13.289 9.921 1.00 0.00 H new ATOM 0 HB2 ARG A 103 4.845 11.675 9.441 1.00 0.00 H new ATOM 0 HB3 ARG A 103 6.031 10.577 8.764 1.00 0.00 H new ATOM 0 HG2 ARG A 103 7.173 10.356 10.902 1.00 0.00 H new ATOM 0 HG3 ARG A 103 6.247 11.667 11.604 1.00 0.00 H new ATOM 0 HD2 ARG A 103 4.147 10.333 11.340 1.00 0.00 H new ATOM 0 HD3 ARG A 103 5.064 9.024 10.621 1.00 0.00 H new ATOM 0 HE ARG A 103 6.241 8.722 12.760 1.00 0.00 H new ATOM 0 HH11 ARG A 103 3.292 10.665 13.011 1.00 0.00 H new ATOM 0 HH12 ARG A 103 3.144 10.318 14.737 1.00 0.00 H new ATOM 0 HH21 ARG A 103 5.952 8.337 14.912 1.00 0.00 H new ATOM 0 HH22 ARG A 103 4.583 9.059 15.765 1.00 0.00 H new ATOM 1657 N GLU A 104 8.536 11.773 7.586 1.00 0.00 N ATOM 1658 CA GLU A 104 9.859 11.272 7.189 1.00 0.00 C ATOM 1659 C GLU A 104 10.468 12.053 6.014 1.00 0.00 C ATOM 1660 O GLU A 104 11.618 12.487 6.106 1.00 0.00 O ATOM 1661 CB GLU A 104 9.787 9.785 6.814 1.00 0.00 C ATOM 1662 CG GLU A 104 9.260 8.858 7.914 1.00 0.00 C ATOM 1663 CD GLU A 104 10.054 8.929 9.238 1.00 0.00 C ATOM 1664 OE1 GLU A 104 11.305 9.026 9.208 1.00 0.00 O ATOM 1665 OE2 GLU A 104 9.424 8.872 10.322 1.00 0.00 O ATOM 0 H GLU A 104 7.879 11.839 6.809 1.00 0.00 H new ATOM 0 HA GLU A 104 10.505 11.412 8.055 1.00 0.00 H new ATOM 0 HB2 GLU A 104 9.150 9.679 5.936 1.00 0.00 H new ATOM 0 HB3 GLU A 104 10.784 9.451 6.527 1.00 0.00 H new ATOM 0 HG2 GLU A 104 8.218 9.107 8.115 1.00 0.00 H new ATOM 0 HG3 GLU A 104 9.278 7.832 7.548 1.00 0.00 H new