USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 658 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 28 SER OG : rot -33:sc= 1.13 USER MOD Set 1.2: A 32 LYS NZ :NH3+ 164:sc= 1.19 (180deg=-0.0711) USER MOD Single : A 11 THR OG1 : rot 20:sc= 0.819 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -21:sc= 0.296 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0.562 K(o=0.56,f=-0.04) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.35 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 100:sc= -0.255 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0192) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -0.452 X(o=-0.45,f=-0.77) USER MOD Single : A 46 LYS NZ :NH3+ 171:sc= -0.0108 (180deg=-0.13) USER MOD Single : A 47 ASN : amide:sc= 0.603 K(o=0.6,f=-0.0037) USER MOD Single : A 50 ASN : amide:sc= 0.0282 K(o=0.028,f=-7.3!) USER MOD Single : A 56 LYS NZ :NH3+ -126:sc= 0.00811 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -179:sc= 1.28 (180deg=1.26) USER MOD Single : A 61 ASN : amide:sc= -0.0994 X(o=-0.099,f=-0.24) USER MOD Single : A 62 ASN : amide:sc= -11.4! C(o=-11!,f=-12!) USER MOD Single : A 64 HIS : no HD1:sc= -2.01 K(o=-2,f=-7.9!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 155:sc= 1.19 (180deg=0.533) USER MOD Single : A 74 ASN : amide:sc= -0.149 K(o=-0.15,f=-0.65) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0.00751 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0.326 K(o=0.33,f=-0.88) USER MOD Single : A 94 ASN : amide:sc= -2.47! C(o=-2.5!,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 241 N THR A 11 -4.887 3.912 -7.336 1.00 0.43 N ATOM 242 CA THR A 11 -5.407 2.647 -6.878 1.00 0.36 C ATOM 243 C THR A 11 -5.210 1.532 -7.897 1.00 0.37 C ATOM 244 O THR A 11 -6.099 1.236 -8.694 1.00 0.44 O ATOM 245 CB THR A 11 -6.887 2.771 -6.520 1.00 0.44 C ATOM 246 OG1 THR A 11 -7.329 4.121 -6.734 1.00 0.60 O ATOM 247 CG2 THR A 11 -7.095 2.405 -5.070 1.00 0.54 C ATOM 0 HA THR A 11 -4.840 2.379 -5.987 1.00 0.36 H new ATOM 0 HB THR A 11 -7.461 2.095 -7.153 1.00 0.44 H new ATOM 0 HG1 THR A 11 -6.712 4.574 -7.346 1.00 0.60 H new ATOM 0 HG21 THR A 11 -8.152 2.495 -4.820 1.00 0.54 H new ATOM 0 HG22 THR A 11 -6.769 1.378 -4.904 1.00 0.54 H new ATOM 0 HG23 THR A 11 -6.514 3.077 -4.438 1.00 0.54 H new ATOM 255 N SER A 12 -4.025 0.945 -7.875 1.00 0.36 N ATOM 256 CA SER A 12 -3.719 -0.214 -8.689 1.00 0.40 C ATOM 257 C SER A 12 -2.903 -1.215 -7.884 1.00 0.34 C ATOM 258 O SER A 12 -1.670 -1.175 -7.886 1.00 0.41 O ATOM 259 CB SER A 12 -2.966 0.195 -9.948 1.00 0.53 C ATOM 260 OG SER A 12 -3.741 1.074 -10.746 1.00 1.26 O ATOM 0 H SER A 12 -3.250 1.260 -7.292 1.00 0.36 H new ATOM 0 HA SER A 12 -4.655 -0.683 -8.991 1.00 0.40 H new ATOM 0 HB2 SER A 12 -2.029 0.680 -9.673 1.00 0.53 H new ATOM 0 HB3 SER A 12 -2.708 -0.693 -10.525 1.00 0.53 H new ATOM 0 HG SER A 12 -3.233 1.322 -11.547 1.00 1.26 H new ATOM 266 N GLY A 13 -3.596 -2.092 -7.165 1.00 0.28 N ATOM 267 CA GLY A 13 -2.921 -3.111 -6.383 1.00 0.29 C ATOM 268 C GLY A 13 -2.243 -4.147 -7.250 1.00 0.27 C ATOM 269 O GLY A 13 -1.453 -4.956 -6.764 1.00 0.27 O ATOM 0 H GLY A 13 -4.614 -2.115 -7.110 1.00 0.28 H new ATOM 0 HA2 GLY A 13 -2.180 -2.639 -5.738 1.00 0.29 H new ATOM 0 HA3 GLY A 13 -3.643 -3.603 -5.731 1.00 0.29 H new ATOM 273 N GLU A 14 -2.546 -4.109 -8.538 1.00 0.28 N ATOM 274 CA GLU A 14 -1.973 -5.039 -9.503 1.00 0.26 C ATOM 275 C GLU A 14 -0.445 -4.938 -9.565 1.00 0.20 C ATOM 276 O GLU A 14 0.229 -5.864 -10.012 1.00 0.23 O ATOM 277 CB GLU A 14 -2.564 -4.773 -10.890 1.00 0.32 C ATOM 278 CG GLU A 14 -2.495 -3.309 -11.302 1.00 0.35 C ATOM 279 CD GLU A 14 -2.992 -3.063 -12.711 1.00 0.95 C ATOM 280 OE1 GLU A 14 -4.222 -3.088 -12.923 1.00 1.60 O ATOM 281 OE2 GLU A 14 -2.155 -2.867 -13.618 1.00 0.99 O ATOM 0 H GLU A 14 -3.194 -3.435 -8.945 1.00 0.28 H new ATOM 0 HA GLU A 14 -2.223 -6.048 -9.176 1.00 0.26 H new ATOM 0 HB2 GLU A 14 -2.032 -5.376 -11.626 1.00 0.32 H new ATOM 0 HB3 GLU A 14 -3.604 -5.098 -10.903 1.00 0.32 H new ATOM 0 HG2 GLU A 14 -3.086 -2.714 -10.606 1.00 0.35 H new ATOM 0 HG3 GLU A 14 -1.464 -2.964 -11.221 1.00 0.35 H new ATOM 288 N SER A 15 0.096 -3.816 -9.117 1.00 0.21 N ATOM 289 CA SER A 15 1.531 -3.582 -9.178 1.00 0.22 C ATOM 290 C SER A 15 2.233 -4.074 -7.912 1.00 0.19 C ATOM 291 O SER A 15 3.452 -4.130 -7.870 1.00 0.22 O ATOM 292 CB SER A 15 1.813 -2.091 -9.403 1.00 0.31 C ATOM 293 OG SER A 15 3.203 -1.828 -9.518 1.00 0.74 O ATOM 0 H SER A 15 -0.439 -3.051 -8.706 1.00 0.21 H new ATOM 0 HA SER A 15 1.930 -4.151 -10.018 1.00 0.22 H new ATOM 0 HB2 SER A 15 1.304 -1.757 -10.307 1.00 0.31 H new ATOM 0 HB3 SER A 15 1.401 -1.514 -8.575 1.00 0.31 H new ATOM 0 HG SER A 15 3.709 -2.560 -9.108 1.00 0.74 H new ATOM 299 N LEU A 16 1.453 -4.448 -6.897 1.00 0.16 N ATOM 300 CA LEU A 16 1.975 -4.779 -5.561 1.00 0.14 C ATOM 301 C LEU A 16 3.251 -5.619 -5.584 1.00 0.14 C ATOM 302 O LEU A 16 4.271 -5.206 -5.036 1.00 0.16 O ATOM 303 CB LEU A 16 0.903 -5.493 -4.748 1.00 0.16 C ATOM 304 CG LEU A 16 0.285 -4.663 -3.631 1.00 0.16 C ATOM 305 CD1 LEU A 16 0.170 -3.202 -4.044 1.00 0.16 C ATOM 306 CD2 LEU A 16 -1.077 -5.224 -3.272 1.00 0.18 C ATOM 0 H LEU A 16 0.439 -4.532 -6.973 1.00 0.16 H new ATOM 0 HA LEU A 16 2.242 -3.830 -5.096 1.00 0.14 H new ATOM 0 HB2 LEU A 16 0.110 -5.815 -5.423 1.00 0.16 H new ATOM 0 HB3 LEU A 16 1.337 -6.394 -4.314 1.00 0.16 H new ATOM 0 HG LEU A 16 0.932 -4.714 -2.756 1.00 0.16 H new ATOM 0 HD11 LEU A 16 -0.274 -2.628 -3.231 1.00 0.16 H new ATOM 0 HD12 LEU A 16 1.161 -2.808 -4.267 1.00 0.16 H new ATOM 0 HD13 LEU A 16 -0.460 -3.123 -4.930 1.00 0.16 H new ATOM 0 HD21 LEU A 16 -1.517 -4.628 -2.472 1.00 0.18 H new ATOM 0 HD22 LEU A 16 -1.726 -5.192 -4.147 1.00 0.18 H new ATOM 0 HD23 LEU A 16 -0.969 -6.256 -2.938 1.00 0.18 H new ATOM 318 N TYR A 17 3.198 -6.789 -6.210 1.00 0.17 N ATOM 319 CA TYR A 17 4.365 -7.670 -6.264 1.00 0.20 C ATOM 320 C TYR A 17 5.545 -6.981 -6.952 1.00 0.24 C ATOM 321 O TYR A 17 6.697 -7.176 -6.574 1.00 0.34 O ATOM 322 CB TYR A 17 4.028 -8.991 -6.972 1.00 0.25 C ATOM 323 CG TYR A 17 3.362 -8.842 -8.325 1.00 0.63 C ATOM 324 CD1 TYR A 17 4.120 -8.633 -9.471 1.00 1.22 C ATOM 325 CD2 TYR A 17 1.980 -8.900 -8.456 1.00 0.69 C ATOM 326 CE1 TYR A 17 3.519 -8.488 -10.707 1.00 1.66 C ATOM 327 CE2 TYR A 17 1.373 -8.758 -9.687 1.00 1.08 C ATOM 328 CZ TYR A 17 2.134 -8.586 -10.807 1.00 1.53 C ATOM 329 OH TYR A 17 1.541 -8.412 -12.038 1.00 1.99 O ATOM 0 H TYR A 17 2.370 -7.150 -6.684 1.00 0.17 H new ATOM 0 HA TYR A 17 4.654 -7.896 -5.238 1.00 0.20 H new ATOM 0 HB2 TYR A 17 4.947 -9.563 -7.098 1.00 0.25 H new ATOM 0 HB3 TYR A 17 3.374 -9.576 -6.325 1.00 0.25 H new ATOM 0 HD1 TYR A 17 5.196 -8.583 -9.394 1.00 1.22 H new ATOM 0 HD2 TYR A 17 1.370 -9.059 -7.579 1.00 0.69 H new ATOM 0 HE1 TYR A 17 4.118 -8.301 -11.586 1.00 1.66 H new ATOM 0 HE2 TYR A 17 0.296 -8.783 -9.764 1.00 1.08 H new ATOM 0 HH TYR A 17 0.570 -8.511 -11.950 1.00 1.99 H new ATOM 339 N HIS A 18 5.237 -6.143 -7.935 1.00 0.22 N ATOM 340 CA HIS A 18 6.253 -5.430 -8.704 1.00 0.26 C ATOM 341 C HIS A 18 6.833 -4.288 -7.896 1.00 0.23 C ATOM 342 O HIS A 18 7.984 -3.896 -8.085 1.00 0.29 O ATOM 343 CB HIS A 18 5.634 -4.878 -9.998 1.00 0.31 C ATOM 344 CG HIS A 18 6.586 -4.087 -10.847 1.00 0.82 C ATOM 345 ND1 HIS A 18 6.743 -2.718 -10.736 1.00 1.62 N ATOM 346 CD2 HIS A 18 7.424 -4.479 -11.831 1.00 1.37 C ATOM 347 CE1 HIS A 18 7.634 -2.309 -11.616 1.00 1.96 C ATOM 348 NE2 HIS A 18 8.062 -3.357 -12.291 1.00 1.74 N ATOM 0 H HIS A 18 4.280 -5.938 -8.222 1.00 0.22 H new ATOM 0 HA HIS A 18 7.053 -6.129 -8.948 1.00 0.26 H new ATOM 0 HB2 HIS A 18 5.246 -5.710 -10.586 1.00 0.31 H new ATOM 0 HB3 HIS A 18 4.784 -4.246 -9.740 1.00 0.31 H new ATOM 0 HD2 HIS A 18 7.565 -5.488 -12.189 1.00 1.37 H new ATOM 0 HE1 HIS A 18 7.958 -1.289 -11.760 1.00 1.96 H new ATOM 0 HE2 HIS A 18 8.757 -3.336 -13.037 1.00 1.74 H new ATOM 357 N VAL A 19 6.022 -3.773 -7.000 1.00 0.17 N ATOM 358 CA VAL A 19 6.370 -2.617 -6.204 1.00 0.16 C ATOM 359 C VAL A 19 7.668 -2.841 -5.429 1.00 0.17 C ATOM 360 O VAL A 19 8.547 -1.977 -5.397 1.00 0.20 O ATOM 361 CB VAL A 19 5.213 -2.277 -5.238 1.00 0.15 C ATOM 362 CG1 VAL A 19 5.652 -1.287 -4.194 1.00 0.18 C ATOM 363 CG2 VAL A 19 4.022 -1.725 -6.002 1.00 0.19 C ATOM 0 H VAL A 19 5.094 -4.148 -6.801 1.00 0.17 H new ATOM 0 HA VAL A 19 6.532 -1.776 -6.878 1.00 0.16 H new ATOM 0 HB VAL A 19 4.918 -3.200 -4.738 1.00 0.15 H new ATOM 0 HG11 VAL A 19 4.818 -1.066 -3.528 1.00 0.18 H new ATOM 0 HG12 VAL A 19 6.475 -1.708 -3.617 1.00 0.18 H new ATOM 0 HG13 VAL A 19 5.982 -0.368 -4.679 1.00 0.18 H new ATOM 0 HG21 VAL A 19 3.218 -1.492 -5.304 1.00 0.19 H new ATOM 0 HG22 VAL A 19 4.317 -0.819 -6.531 1.00 0.19 H new ATOM 0 HG23 VAL A 19 3.675 -2.468 -6.720 1.00 0.19 H new ATOM 373 N LEU A 20 7.794 -4.014 -4.835 1.00 0.18 N ATOM 374 CA LEU A 20 8.937 -4.313 -3.978 1.00 0.24 C ATOM 375 C LEU A 20 9.701 -5.549 -4.451 1.00 0.27 C ATOM 376 O LEU A 20 10.895 -5.681 -4.192 1.00 0.33 O ATOM 377 CB LEU A 20 8.497 -4.477 -2.518 1.00 0.28 C ATOM 378 CG LEU A 20 7.000 -4.709 -2.296 1.00 0.23 C ATOM 379 CD1 LEU A 20 6.554 -6.025 -2.907 1.00 0.25 C ATOM 380 CD2 LEU A 20 6.678 -4.672 -0.809 1.00 0.28 C ATOM 0 H LEU A 20 7.123 -4.776 -4.927 1.00 0.18 H new ATOM 0 HA LEU A 20 9.618 -3.464 -4.044 1.00 0.24 H new ATOM 0 HB2 LEU A 20 9.044 -5.315 -2.085 1.00 0.28 H new ATOM 0 HB3 LEU A 20 8.793 -3.585 -1.966 1.00 0.28 H new ATOM 0 HG LEU A 20 6.453 -3.908 -2.794 1.00 0.23 H new ATOM 0 HD11 LEU A 20 5.487 -6.163 -2.734 1.00 0.25 H new ATOM 0 HD12 LEU A 20 6.749 -6.013 -3.979 1.00 0.25 H new ATOM 0 HD13 LEU A 20 7.105 -6.845 -2.447 1.00 0.25 H new ATOM 0 HD21 LEU A 20 5.611 -4.838 -0.664 1.00 0.28 H new ATOM 0 HD22 LEU A 20 7.240 -5.452 -0.296 1.00 0.28 H new ATOM 0 HD23 LEU A 20 6.953 -3.699 -0.401 1.00 0.28 H new ATOM 392 N GLY A 21 9.013 -6.453 -5.138 1.00 0.27 N ATOM 393 CA GLY A 21 9.654 -7.673 -5.595 1.00 0.32 C ATOM 394 C GLY A 21 9.343 -8.866 -4.708 1.00 0.34 C ATOM 395 O GLY A 21 10.239 -9.629 -4.345 1.00 0.65 O ATOM 0 H GLY A 21 8.028 -6.365 -5.386 1.00 0.27 H new ATOM 0 HA2 GLY A 21 9.331 -7.889 -6.613 1.00 0.32 H new ATOM 0 HA3 GLY A 21 10.733 -7.521 -5.628 1.00 0.32 H new ATOM 399 N LEU A 22 8.070 -9.033 -4.370 1.00 0.19 N ATOM 400 CA LEU A 22 7.621 -10.138 -3.526 1.00 0.16 C ATOM 401 C LEU A 22 6.099 -10.217 -3.594 1.00 0.17 C ATOM 402 O LEU A 22 5.447 -9.217 -3.883 1.00 0.19 O ATOM 403 CB LEU A 22 8.070 -9.922 -2.067 1.00 0.14 C ATOM 404 CG LEU A 22 8.352 -11.187 -1.226 1.00 0.15 C ATOM 405 CD1 LEU A 22 8.522 -12.414 -2.106 1.00 0.19 C ATOM 406 CD2 LEU A 22 9.604 -10.991 -0.390 1.00 0.18 C ATOM 0 H LEU A 22 7.321 -8.410 -4.671 1.00 0.19 H new ATOM 0 HA LEU A 22 8.061 -11.069 -3.883 1.00 0.16 H new ATOM 0 HB2 LEU A 22 8.974 -9.313 -2.077 1.00 0.14 H new ATOM 0 HB3 LEU A 22 7.301 -9.341 -1.558 1.00 0.14 H new ATOM 0 HG LEU A 22 7.493 -11.347 -0.574 1.00 0.15 H new ATOM 0 HD11 LEU A 22 8.719 -13.285 -1.481 1.00 0.19 H new ATOM 0 HD12 LEU A 22 7.611 -12.578 -2.681 1.00 0.19 H new ATOM 0 HD13 LEU A 22 9.358 -12.260 -2.788 1.00 0.19 H new ATOM 0 HD21 LEU A 22 9.793 -11.889 0.198 1.00 0.18 H new ATOM 0 HD22 LEU A 22 10.454 -10.802 -1.046 1.00 0.18 H new ATOM 0 HD23 LEU A 22 9.466 -10.141 0.279 1.00 0.18 H new ATOM 418 N ASP A 23 5.554 -11.401 -3.351 1.00 0.18 N ATOM 419 CA ASP A 23 4.108 -11.603 -3.239 1.00 0.21 C ATOM 420 C ASP A 23 3.804 -13.052 -2.952 1.00 0.23 C ATOM 421 O ASP A 23 4.161 -13.927 -3.734 1.00 0.26 O ATOM 422 CB ASP A 23 3.331 -11.121 -4.481 1.00 0.29 C ATOM 423 CG ASP A 23 2.699 -12.210 -5.329 1.00 1.05 C ATOM 424 OD1 ASP A 23 3.379 -12.748 -6.230 1.00 1.77 O ATOM 425 OD2 ASP A 23 1.503 -12.504 -5.122 1.00 1.13 O ATOM 0 H ASP A 23 6.100 -12.253 -3.225 1.00 0.18 H new ATOM 0 HA ASP A 23 3.768 -10.988 -2.406 1.00 0.21 H new ATOM 0 HB2 ASP A 23 2.545 -10.440 -4.153 1.00 0.29 H new ATOM 0 HB3 ASP A 23 4.010 -10.545 -5.110 1.00 0.29 H new ATOM 430 N LYS A 24 3.219 -13.283 -1.772 1.00 0.23 N ATOM 431 CA LYS A 24 2.686 -14.590 -1.342 1.00 0.28 C ATOM 432 C LYS A 24 3.664 -15.759 -1.538 1.00 0.28 C ATOM 433 O LYS A 24 3.290 -16.919 -1.376 1.00 0.34 O ATOM 434 CB LYS A 24 1.347 -14.874 -2.042 1.00 0.35 C ATOM 435 CG LYS A 24 1.445 -15.027 -3.548 1.00 0.37 C ATOM 436 CD LYS A 24 1.391 -16.484 -3.977 1.00 0.43 C ATOM 437 CE LYS A 24 2.664 -16.900 -4.686 1.00 0.50 C ATOM 438 NZ LYS A 24 2.597 -18.298 -5.183 1.00 1.42 N ATOM 0 H LYS A 24 3.098 -12.553 -1.070 1.00 0.23 H new ATOM 0 HA LYS A 24 2.530 -14.517 -0.266 1.00 0.28 H new ATOM 0 HB2 LYS A 24 0.919 -15.785 -1.624 1.00 0.35 H new ATOM 0 HB3 LYS A 24 0.654 -14.063 -1.816 1.00 0.35 H new ATOM 0 HG2 LYS A 24 0.630 -14.479 -4.022 1.00 0.37 H new ATOM 0 HG3 LYS A 24 2.376 -14.580 -3.898 1.00 0.37 H new ATOM 0 HD2 LYS A 24 1.236 -17.117 -3.103 1.00 0.43 H new ATOM 0 HD3 LYS A 24 0.538 -16.639 -4.637 1.00 0.43 H new ATOM 0 HE2 LYS A 24 2.848 -16.227 -5.523 1.00 0.50 H new ATOM 0 HE3 LYS A 24 3.508 -16.799 -4.004 1.00 0.50 H new ATOM 0 HZ1 LYS A 24 3.489 -18.540 -5.661 1.00 1.42 H new ATOM 0 HZ2 LYS A 24 2.447 -18.944 -4.382 1.00 1.42 H new ATOM 0 HZ3 LYS A 24 1.808 -18.390 -5.855 1.00 1.42 H new ATOM 452 N ASN A 25 4.907 -15.457 -1.870 1.00 0.25 N ATOM 453 CA ASN A 25 5.926 -16.478 -1.997 1.00 0.28 C ATOM 454 C ASN A 25 6.750 -16.520 -0.732 1.00 0.25 C ATOM 455 O ASN A 25 7.406 -17.511 -0.417 1.00 0.31 O ATOM 456 CB ASN A 25 6.858 -16.203 -3.178 1.00 0.31 C ATOM 457 CG ASN A 25 6.289 -16.649 -4.508 1.00 0.35 C ATOM 458 OD1 ASN A 25 6.473 -17.795 -4.918 1.00 0.40 O ATOM 459 ND2 ASN A 25 5.610 -15.750 -5.200 1.00 0.37 N ATOM 0 H ASN A 25 5.233 -14.509 -2.057 1.00 0.25 H new ATOM 0 HA ASN A 25 5.424 -17.431 -2.167 1.00 0.28 H new ATOM 0 HB2 ASN A 25 7.071 -15.135 -3.222 1.00 0.31 H new ATOM 0 HB3 ASN A 25 7.807 -16.711 -3.008 1.00 0.31 H new ATOM 0 HD21 ASN A 25 5.217 -15.996 -6.108 1.00 0.37 H new ATOM 0 HD22 ASN A 25 5.479 -14.810 -4.825 1.00 0.37 H new ATOM 466 N ALA A 26 6.711 -15.413 -0.022 1.00 0.20 N ATOM 467 CA ALA A 26 7.479 -15.241 1.185 1.00 0.19 C ATOM 468 C ALA A 26 6.585 -15.296 2.397 1.00 0.19 C ATOM 469 O ALA A 26 5.360 -15.342 2.287 1.00 0.24 O ATOM 470 CB ALA A 26 8.204 -13.920 1.138 1.00 0.18 C ATOM 0 H ALA A 26 6.141 -14.604 -0.270 1.00 0.20 H new ATOM 0 HA ALA A 26 8.205 -16.051 1.258 1.00 0.19 H new ATOM 0 HB1 ALA A 26 8.785 -13.791 2.051 1.00 0.18 H new ATOM 0 HB2 ALA A 26 8.873 -13.902 0.277 1.00 0.18 H new ATOM 0 HB3 ALA A 26 7.480 -13.110 1.051 1.00 0.18 H new ATOM 476 N THR A 27 7.211 -15.308 3.544 1.00 0.21 N ATOM 477 CA THR A 27 6.512 -15.265 4.802 1.00 0.24 C ATOM 478 C THR A 27 6.559 -13.843 5.329 1.00 0.21 C ATOM 479 O THR A 27 7.104 -12.959 4.663 1.00 0.21 O ATOM 480 CB THR A 27 7.176 -16.222 5.804 1.00 0.30 C ATOM 481 OG1 THR A 27 8.403 -15.656 6.276 1.00 0.33 O ATOM 482 CG2 THR A 27 7.480 -17.542 5.128 1.00 0.35 C ATOM 0 H THR A 27 8.226 -15.348 3.633 1.00 0.21 H new ATOM 0 HA THR A 27 5.476 -15.576 4.665 1.00 0.24 H new ATOM 0 HB THR A 27 6.495 -16.381 6.640 1.00 0.30 H new ATOM 0 HG1 THR A 27 8.821 -16.269 6.916 1.00 0.33 H new ATOM 0 HG21 THR A 27 7.951 -18.217 5.843 1.00 0.35 H new ATOM 0 HG22 THR A 27 6.553 -17.987 4.765 1.00 0.35 H new ATOM 0 HG23 THR A 27 8.155 -17.374 4.289 1.00 0.35 H new ATOM 490 N SER A 28 6.002 -13.609 6.507 1.00 0.26 N ATOM 491 CA SER A 28 6.117 -12.310 7.150 1.00 0.32 C ATOM 492 C SER A 28 7.590 -11.971 7.390 1.00 0.31 C ATOM 493 O SER A 28 7.940 -10.835 7.696 1.00 0.41 O ATOM 494 CB SER A 28 5.333 -12.292 8.466 1.00 0.40 C ATOM 495 OG SER A 28 5.260 -10.982 9.007 1.00 1.54 O ATOM 0 H SER A 28 5.468 -14.299 7.035 1.00 0.26 H new ATOM 0 HA SER A 28 5.691 -11.553 6.492 1.00 0.32 H new ATOM 0 HB2 SER A 28 4.326 -12.674 8.297 1.00 0.40 H new ATOM 0 HB3 SER A 28 5.810 -12.958 9.185 1.00 0.40 H new ATOM 0 HG SER A 28 6.083 -10.494 8.795 1.00 1.54 H new ATOM 501 N ASP A 29 8.453 -12.968 7.262 1.00 0.27 N ATOM 502 CA ASP A 29 9.881 -12.751 7.389 1.00 0.34 C ATOM 503 C ASP A 29 10.436 -12.062 6.144 1.00 0.32 C ATOM 504 O ASP A 29 11.122 -11.051 6.256 1.00 0.44 O ATOM 505 CB ASP A 29 10.615 -14.072 7.632 1.00 0.38 C ATOM 506 CG ASP A 29 12.080 -13.869 7.963 1.00 0.97 C ATOM 507 OD1 ASP A 29 12.402 -13.634 9.146 1.00 0.96 O ATOM 508 OD2 ASP A 29 12.917 -13.937 7.034 1.00 1.68 O ATOM 0 H ASP A 29 8.187 -13.934 7.070 1.00 0.27 H new ATOM 0 HA ASP A 29 10.045 -12.102 8.249 1.00 0.34 H new ATOM 0 HB2 ASP A 29 10.132 -14.607 8.449 1.00 0.38 H new ATOM 0 HB3 ASP A 29 10.530 -14.700 6.745 1.00 0.38 H new ATOM 513 N ASP A 30 10.125 -12.581 4.951 1.00 0.22 N ATOM 514 CA ASP A 30 10.708 -12.025 3.730 1.00 0.21 C ATOM 515 C ASP A 30 9.888 -10.865 3.173 1.00 0.16 C ATOM 516 O ASP A 30 10.450 -9.819 2.849 1.00 0.17 O ATOM 517 CB ASP A 30 10.883 -13.106 2.672 1.00 0.23 C ATOM 518 CG ASP A 30 12.278 -13.117 2.092 1.00 0.89 C ATOM 519 OD1 ASP A 30 13.184 -13.697 2.727 1.00 1.22 O ATOM 520 OD2 ASP A 30 12.481 -12.541 1.006 1.00 1.81 O ATOM 0 H ASP A 30 9.489 -13.365 4.808 1.00 0.22 H new ATOM 0 HA ASP A 30 11.688 -11.631 3.999 1.00 0.21 H new ATOM 0 HB2 ASP A 30 10.666 -14.080 3.111 1.00 0.23 H new ATOM 0 HB3 ASP A 30 10.160 -12.949 1.872 1.00 0.23 H new ATOM 525 N ILE A 31 8.570 -11.055 3.048 1.00 0.14 N ATOM 526 CA ILE A 31 7.664 -10.006 2.569 1.00 0.14 C ATOM 527 C ILE A 31 7.976 -8.643 3.198 1.00 0.14 C ATOM 528 O ILE A 31 8.086 -7.636 2.498 1.00 0.16 O ATOM 529 CB ILE A 31 6.185 -10.346 2.880 1.00 0.21 C ATOM 530 CG1 ILE A 31 5.771 -11.683 2.258 1.00 0.38 C ATOM 531 CG2 ILE A 31 5.270 -9.233 2.390 1.00 0.16 C ATOM 532 CD1 ILE A 31 5.590 -11.641 0.759 1.00 0.42 C ATOM 0 H ILE A 31 8.104 -11.934 3.274 1.00 0.14 H new ATOM 0 HA ILE A 31 7.817 -9.953 1.491 1.00 0.14 H new ATOM 0 HB ILE A 31 6.088 -10.437 3.962 1.00 0.21 H new ATOM 0 HG12 ILE A 31 6.525 -12.432 2.500 1.00 0.38 H new ATOM 0 HG13 ILE A 31 4.838 -12.010 2.716 1.00 0.38 H new ATOM 0 HG21 ILE A 31 4.234 -9.487 2.616 1.00 0.16 H new ATOM 0 HG22 ILE A 31 5.532 -8.300 2.889 1.00 0.16 H new ATOM 0 HG23 ILE A 31 5.387 -9.113 1.313 1.00 0.16 H new ATOM 0 HD11 ILE A 31 5.297 -12.628 0.400 1.00 0.42 H new ATOM 0 HD12 ILE A 31 4.814 -10.918 0.506 1.00 0.42 H new ATOM 0 HD13 ILE A 31 6.528 -11.347 0.287 1.00 0.42 H new ATOM 544 N LYS A 32 8.131 -8.622 4.517 1.00 0.17 N ATOM 545 CA LYS A 32 8.299 -7.368 5.242 1.00 0.21 C ATOM 546 C LYS A 32 9.651 -6.724 4.950 1.00 0.20 C ATOM 547 O LYS A 32 9.750 -5.503 4.834 1.00 0.21 O ATOM 548 CB LYS A 32 8.132 -7.593 6.744 1.00 0.29 C ATOM 549 CG LYS A 32 6.803 -8.233 7.099 1.00 0.33 C ATOM 550 CD LYS A 32 5.637 -7.425 6.571 1.00 0.35 C ATOM 551 CE LYS A 32 4.359 -8.242 6.557 1.00 0.43 C ATOM 552 NZ LYS A 32 4.028 -8.788 7.899 1.00 0.88 N ATOM 0 H LYS A 32 8.144 -9.456 5.104 1.00 0.17 H new ATOM 0 HA LYS A 32 7.524 -6.683 4.897 1.00 0.21 H new ATOM 0 HB2 LYS A 32 8.943 -8.226 7.104 1.00 0.29 H new ATOM 0 HB3 LYS A 32 8.220 -6.638 7.262 1.00 0.29 H new ATOM 0 HG2 LYS A 32 6.763 -9.242 6.688 1.00 0.33 H new ATOM 0 HG3 LYS A 32 6.721 -8.326 8.182 1.00 0.33 H new ATOM 0 HD2 LYS A 32 5.497 -6.538 7.189 1.00 0.35 H new ATOM 0 HD3 LYS A 32 5.860 -7.078 5.562 1.00 0.35 H new ATOM 0 HE2 LYS A 32 3.536 -7.620 6.206 1.00 0.43 H new ATOM 0 HE3 LYS A 32 4.462 -9.063 5.848 1.00 0.43 H new ATOM 0 HZ1 LYS A 32 3.036 -9.100 7.912 1.00 0.88 H new ATOM 0 HZ2 LYS A 32 4.648 -9.597 8.107 1.00 0.88 H new ATOM 0 HZ3 LYS A 32 4.168 -8.050 8.618 1.00 0.88 H new ATOM 566 N LYS A 33 10.686 -7.540 4.814 1.00 0.21 N ATOM 567 CA LYS A 33 12.023 -7.025 4.537 1.00 0.22 C ATOM 568 C LYS A 33 12.105 -6.535 3.105 1.00 0.19 C ATOM 569 O LYS A 33 12.789 -5.555 2.816 1.00 0.19 O ATOM 570 CB LYS A 33 13.082 -8.096 4.770 1.00 0.28 C ATOM 571 CG LYS A 33 13.023 -8.719 6.150 1.00 0.35 C ATOM 572 CD LYS A 33 13.128 -7.675 7.251 1.00 0.49 C ATOM 573 CE LYS A 33 13.086 -8.322 8.625 1.00 0.62 C ATOM 574 NZ LYS A 33 13.070 -7.317 9.720 1.00 1.41 N ATOM 0 H LYS A 33 10.629 -8.556 4.890 1.00 0.21 H new ATOM 0 HA LYS A 33 12.212 -6.196 5.219 1.00 0.22 H new ATOM 0 HB2 LYS A 33 12.965 -8.880 4.022 1.00 0.28 H new ATOM 0 HB3 LYS A 33 14.069 -7.658 4.620 1.00 0.28 H new ATOM 0 HG2 LYS A 33 12.088 -9.269 6.260 1.00 0.35 H new ATOM 0 HG3 LYS A 33 13.832 -9.441 6.257 1.00 0.35 H new ATOM 0 HD2 LYS A 33 14.056 -7.115 7.138 1.00 0.49 H new ATOM 0 HD3 LYS A 33 12.311 -6.960 7.157 1.00 0.49 H new ATOM 0 HE2 LYS A 33 12.200 -8.953 8.700 1.00 0.62 H new ATOM 0 HE3 LYS A 33 13.952 -8.973 8.745 1.00 0.62 H new ATOM 0 HZ1 LYS A 33 13.041 -7.804 10.638 1.00 1.41 H new ATOM 0 HZ2 LYS A 33 13.927 -6.731 9.666 1.00 1.41 H new ATOM 0 HZ3 LYS A 33 12.230 -6.711 9.623 1.00 1.41 H new ATOM 588 N SER A 34 11.397 -7.229 2.217 1.00 0.18 N ATOM 589 CA SER A 34 11.282 -6.815 0.823 1.00 0.18 C ATOM 590 C SER A 34 10.782 -5.379 0.753 1.00 0.19 C ATOM 591 O SER A 34 11.121 -4.629 -0.163 1.00 0.30 O ATOM 592 CB SER A 34 10.317 -7.739 0.076 1.00 0.21 C ATOM 593 OG SER A 34 10.298 -7.454 -1.316 1.00 0.26 O ATOM 0 H SER A 34 10.892 -8.086 2.441 1.00 0.18 H new ATOM 0 HA SER A 34 12.263 -6.877 0.353 1.00 0.18 H new ATOM 0 HB2 SER A 34 10.611 -8.777 0.232 1.00 0.21 H new ATOM 0 HB3 SER A 34 9.313 -7.627 0.486 1.00 0.21 H new ATOM 0 HG SER A 34 10.861 -8.101 -1.790 1.00 0.26 H new ATOM 599 N TYR A 35 9.969 -5.014 1.732 1.00 0.17 N ATOM 600 CA TYR A 35 9.502 -3.651 1.875 1.00 0.18 C ATOM 601 C TYR A 35 10.566 -2.787 2.534 1.00 0.18 C ATOM 602 O TYR A 35 11.027 -1.833 1.950 1.00 0.26 O ATOM 603 CB TYR A 35 8.211 -3.604 2.704 1.00 0.22 C ATOM 604 CG TYR A 35 7.931 -2.246 3.321 1.00 0.24 C ATOM 605 CD1 TYR A 35 7.468 -1.191 2.552 1.00 0.33 C ATOM 606 CD2 TYR A 35 8.141 -2.022 4.677 1.00 0.29 C ATOM 607 CE1 TYR A 35 7.222 0.049 3.112 1.00 0.40 C ATOM 608 CE2 TYR A 35 7.897 -0.787 5.244 1.00 0.38 C ATOM 609 CZ TYR A 35 7.438 0.245 4.458 1.00 0.42 C ATOM 610 OH TYR A 35 7.205 1.479 5.018 1.00 0.51 O ATOM 0 H TYR A 35 9.618 -5.654 2.445 1.00 0.17 H new ATOM 0 HA TYR A 35 9.296 -3.261 0.878 1.00 0.18 H new ATOM 0 HB2 TYR A 35 7.371 -3.884 2.068 1.00 0.22 H new ATOM 0 HB3 TYR A 35 8.272 -4.348 3.498 1.00 0.22 H new ATOM 0 HD1 TYR A 35 7.296 -1.340 1.496 1.00 0.33 H new ATOM 0 HD2 TYR A 35 8.502 -2.829 5.298 1.00 0.29 H new ATOM 0 HE1 TYR A 35 6.862 0.860 2.497 1.00 0.40 H new ATOM 0 HE2 TYR A 35 8.066 -0.632 6.299 1.00 0.38 H new ATOM 0 HH TYR A 35 7.406 1.446 5.977 1.00 0.51 H new ATOM 620 N ARG A 36 10.968 -3.169 3.736 1.00 0.16 N ATOM 621 CA ARG A 36 11.772 -2.310 4.613 1.00 0.19 C ATOM 622 C ARG A 36 13.025 -1.760 3.948 1.00 0.21 C ATOM 623 O ARG A 36 13.114 -0.566 3.692 1.00 0.23 O ATOM 624 CB ARG A 36 12.171 -3.045 5.878 1.00 0.25 C ATOM 625 CG ARG A 36 11.007 -3.334 6.799 1.00 0.29 C ATOM 626 CD ARG A 36 11.489 -3.747 8.176 1.00 0.42 C ATOM 627 NE ARG A 36 10.391 -3.925 9.122 1.00 0.83 N ATOM 628 CZ ARG A 36 10.331 -3.323 10.312 1.00 1.30 C ATOM 629 NH1 ARG A 36 11.287 -2.478 10.685 1.00 1.53 N ATOM 630 NH2 ARG A 36 9.309 -3.564 11.124 1.00 1.74 N ATOM 0 H ARG A 36 10.750 -4.081 4.137 1.00 0.16 H new ATOM 0 HA ARG A 36 11.128 -1.464 4.853 1.00 0.19 H new ATOM 0 HB2 ARG A 36 12.652 -3.985 5.607 1.00 0.25 H new ATOM 0 HB3 ARG A 36 12.911 -2.452 6.415 1.00 0.25 H new ATOM 0 HG2 ARG A 36 10.376 -2.449 6.882 1.00 0.29 H new ATOM 0 HG3 ARG A 36 10.391 -4.126 6.374 1.00 0.29 H new ATOM 0 HD2 ARG A 36 12.051 -4.678 8.097 1.00 0.42 H new ATOM 0 HD3 ARG A 36 12.176 -2.992 8.559 1.00 0.42 H new ATOM 0 HE ARG A 36 9.625 -4.545 8.858 1.00 0.83 H new ATOM 0 HH11 ARG A 36 12.071 -2.287 10.061 1.00 1.53 H new ATOM 0 HH12 ARG A 36 11.237 -2.021 11.595 1.00 1.53 H new ATOM 0 HH21 ARG A 36 8.572 -4.208 10.838 1.00 1.74 H new ATOM 0 HH22 ARG A 36 9.261 -3.105 12.034 1.00 1.74 H new ATOM 644 N LYS A 37 13.985 -2.632 3.671 1.00 0.35 N ATOM 645 CA LYS A 37 15.277 -2.214 3.110 1.00 0.45 C ATOM 646 C LYS A 37 15.093 -1.430 1.809 1.00 0.40 C ATOM 647 O LYS A 37 15.943 -0.635 1.415 1.00 0.43 O ATOM 648 CB LYS A 37 16.156 -3.443 2.863 1.00 0.67 C ATOM 649 CG LYS A 37 15.500 -4.478 1.966 1.00 0.78 C ATOM 650 CD LYS A 37 16.318 -5.752 1.869 1.00 1.04 C ATOM 651 CE LYS A 37 15.562 -6.820 1.098 1.00 0.85 C ATOM 652 NZ LYS A 37 16.342 -8.075 0.956 1.00 1.37 N ATOM 0 H LYS A 37 13.900 -3.637 3.824 1.00 0.35 H new ATOM 0 HA LYS A 37 15.764 -1.557 3.830 1.00 0.45 H new ATOM 0 HB2 LYS A 37 17.096 -3.125 2.412 1.00 0.67 H new ATOM 0 HB3 LYS A 37 16.401 -3.904 3.820 1.00 0.67 H new ATOM 0 HG2 LYS A 37 14.508 -4.714 2.351 1.00 0.78 H new ATOM 0 HG3 LYS A 37 15.364 -4.059 0.969 1.00 0.78 H new ATOM 0 HD2 LYS A 37 17.267 -5.544 1.375 1.00 1.04 H new ATOM 0 HD3 LYS A 37 16.552 -6.116 2.869 1.00 1.04 H new ATOM 0 HE2 LYS A 37 14.622 -7.035 1.607 1.00 0.85 H new ATOM 0 HE3 LYS A 37 15.309 -6.439 0.109 1.00 0.85 H new ATOM 0 HZ1 LYS A 37 15.784 -8.772 0.423 1.00 1.37 H new ATOM 0 HZ2 LYS A 37 17.227 -7.878 0.447 1.00 1.37 H new ATOM 0 HZ3 LYS A 37 16.562 -8.455 1.899 1.00 1.37 H new ATOM 666 N LEU A 38 13.967 -1.665 1.166 1.00 0.45 N ATOM 667 CA LEU A 38 13.629 -1.042 -0.096 1.00 0.61 C ATOM 668 C LEU A 38 12.826 0.253 0.159 1.00 0.60 C ATOM 669 O LEU A 38 12.813 1.171 -0.658 1.00 0.76 O ATOM 670 CB LEU A 38 12.906 -2.138 -0.925 1.00 1.00 C ATOM 671 CG LEU A 38 11.760 -1.776 -1.877 1.00 0.27 C ATOM 672 CD1 LEU A 38 10.521 -1.375 -1.102 1.00 0.57 C ATOM 673 CD2 LEU A 38 12.172 -0.704 -2.870 1.00 0.44 C ATOM 0 H LEU A 38 13.251 -2.304 1.512 1.00 0.45 H new ATOM 0 HA LEU A 38 14.489 -0.701 -0.672 1.00 0.61 H new ATOM 0 HB2 LEU A 38 13.667 -2.644 -1.519 1.00 1.00 H new ATOM 0 HB3 LEU A 38 12.515 -2.869 -0.217 1.00 1.00 H new ATOM 0 HG LEU A 38 11.516 -2.666 -2.457 1.00 0.27 H new ATOM 0 HD11 LEU A 38 9.722 -1.123 -1.799 1.00 0.57 H new ATOM 0 HD12 LEU A 38 10.203 -2.204 -0.470 1.00 0.57 H new ATOM 0 HD13 LEU A 38 10.746 -0.509 -0.479 1.00 0.57 H new ATOM 0 HD21 LEU A 38 11.333 -0.475 -3.527 1.00 0.44 H new ATOM 0 HD22 LEU A 38 12.468 0.196 -2.332 1.00 0.44 H new ATOM 0 HD23 LEU A 38 13.012 -1.063 -3.465 1.00 0.44 H new ATOM 685 N ALA A 39 12.229 0.334 1.342 1.00 0.49 N ATOM 686 CA ALA A 39 11.369 1.445 1.731 1.00 0.59 C ATOM 687 C ALA A 39 12.176 2.672 2.109 1.00 0.57 C ATOM 688 O ALA A 39 12.016 3.728 1.495 1.00 0.72 O ATOM 689 CB ALA A 39 10.458 1.044 2.878 1.00 0.59 C ATOM 0 H ALA A 39 12.329 -0.377 2.066 1.00 0.49 H new ATOM 0 HA ALA A 39 10.757 1.699 0.866 1.00 0.59 H new ATOM 0 HB1 ALA A 39 9.825 1.888 3.152 1.00 0.59 H new ATOM 0 HB2 ALA A 39 9.832 0.206 2.570 1.00 0.59 H new ATOM 0 HB3 ALA A 39 11.062 0.750 3.736 1.00 0.59 H new ATOM 695 N LEU A 40 13.059 2.554 3.108 1.00 0.44 N ATOM 696 CA LEU A 40 13.898 3.699 3.470 1.00 0.51 C ATOM 697 C LEU A 40 14.847 4.052 2.325 1.00 0.46 C ATOM 698 O LEU A 40 15.450 5.120 2.305 1.00 0.58 O ATOM 699 CB LEU A 40 14.669 3.525 4.806 1.00 0.56 C ATOM 700 CG LEU A 40 15.341 2.172 5.121 1.00 0.51 C ATOM 701 CD1 LEU A 40 14.328 1.182 5.658 1.00 0.48 C ATOM 702 CD2 LEU A 40 16.066 1.593 3.916 1.00 0.44 C ATOM 0 H LEU A 40 13.208 1.710 3.661 1.00 0.44 H new ATOM 0 HA LEU A 40 13.214 4.531 3.640 1.00 0.51 H new ATOM 0 HB2 LEU A 40 15.444 4.291 4.839 1.00 0.56 H new ATOM 0 HB3 LEU A 40 13.973 3.741 5.616 1.00 0.56 H new ATOM 0 HG LEU A 40 16.091 2.360 5.889 1.00 0.51 H new ATOM 0 HD11 LEU A 40 14.823 0.235 5.873 1.00 0.48 H new ATOM 0 HD12 LEU A 40 13.884 1.575 6.572 1.00 0.48 H new ATOM 0 HD13 LEU A 40 13.547 1.022 4.915 1.00 0.48 H new ATOM 0 HD21 LEU A 40 16.522 0.641 4.189 1.00 0.44 H new ATOM 0 HD22 LEU A 40 15.355 1.436 3.105 1.00 0.44 H new ATOM 0 HD23 LEU A 40 16.841 2.287 3.590 1.00 0.44 H new ATOM 714 N LYS A 41 14.923 3.163 1.346 1.00 0.37 N ATOM 715 CA LYS A 41 15.754 3.362 0.176 1.00 0.40 C ATOM 716 C LYS A 41 15.055 4.314 -0.800 1.00 0.39 C ATOM 717 O LYS A 41 15.686 4.912 -1.672 1.00 0.48 O ATOM 718 CB LYS A 41 16.059 1.981 -0.432 1.00 0.51 C ATOM 719 CG LYS A 41 16.638 1.978 -1.837 1.00 0.62 C ATOM 720 CD LYS A 41 15.535 1.818 -2.863 1.00 0.65 C ATOM 721 CE LYS A 41 16.070 1.486 -4.244 1.00 0.72 C ATOM 722 NZ LYS A 41 16.990 2.533 -4.757 1.00 1.41 N ATOM 0 H LYS A 41 14.408 2.283 1.344 1.00 0.37 H new ATOM 0 HA LYS A 41 16.703 3.833 0.432 1.00 0.40 H new ATOM 0 HB2 LYS A 41 16.756 1.463 0.227 1.00 0.51 H new ATOM 0 HB3 LYS A 41 15.137 1.399 -0.440 1.00 0.51 H new ATOM 0 HG2 LYS A 41 17.178 2.908 -2.016 1.00 0.62 H new ATOM 0 HG3 LYS A 41 17.358 1.166 -1.939 1.00 0.62 H new ATOM 0 HD2 LYS A 41 14.855 1.029 -2.541 1.00 0.65 H new ATOM 0 HD3 LYS A 41 14.954 2.739 -2.914 1.00 0.65 H new ATOM 0 HE2 LYS A 41 16.594 0.531 -4.209 1.00 0.72 H new ATOM 0 HE3 LYS A 41 15.236 1.367 -4.936 1.00 0.72 H new ATOM 0 HZ1 LYS A 41 17.303 2.280 -5.716 1.00 1.41 H new ATOM 0 HZ2 LYS A 41 16.495 3.447 -4.784 1.00 1.41 H new ATOM 0 HZ3 LYS A 41 17.817 2.606 -4.130 1.00 1.41 H new ATOM 736 N TYR A 42 13.748 4.478 -0.616 1.00 0.36 N ATOM 737 CA TYR A 42 12.964 5.431 -1.397 1.00 0.36 C ATOM 738 C TYR A 42 12.441 6.555 -0.519 1.00 0.40 C ATOM 739 O TYR A 42 11.629 7.366 -0.954 1.00 0.40 O ATOM 740 CB TYR A 42 11.788 4.741 -2.084 1.00 0.33 C ATOM 741 CG TYR A 42 12.163 4.055 -3.368 1.00 0.36 C ATOM 742 CD1 TYR A 42 12.253 4.761 -4.552 1.00 0.38 C ATOM 743 CD2 TYR A 42 12.427 2.695 -3.391 1.00 0.38 C ATOM 744 CE1 TYR A 42 12.593 4.132 -5.732 1.00 0.44 C ATOM 745 CE2 TYR A 42 12.768 2.056 -4.564 1.00 0.43 C ATOM 746 CZ TYR A 42 12.866 2.801 -5.740 1.00 0.45 C ATOM 747 OH TYR A 42 13.181 2.141 -6.906 1.00 0.52 O ATOM 0 H TYR A 42 13.205 3.958 0.074 1.00 0.36 H new ATOM 0 HA TYR A 42 13.626 5.849 -2.156 1.00 0.36 H new ATOM 0 HB2 TYR A 42 11.358 4.008 -1.402 1.00 0.33 H new ATOM 0 HB3 TYR A 42 11.013 5.479 -2.289 1.00 0.33 H new ATOM 0 HD1 TYR A 42 12.054 5.823 -4.554 1.00 0.38 H new ATOM 0 HD2 TYR A 42 12.365 2.126 -2.475 1.00 0.38 H new ATOM 0 HE1 TYR A 42 12.642 4.698 -6.650 1.00 0.44 H new ATOM 0 HE2 TYR A 42 12.957 0.993 -4.573 1.00 0.43 H new ATOM 0 HH TYR A 42 13.345 1.195 -6.712 1.00 0.52 H new ATOM 757 N HIS A 43 12.902 6.605 0.718 1.00 0.46 N ATOM 758 CA HIS A 43 12.454 7.638 1.635 1.00 0.53 C ATOM 759 C HIS A 43 13.092 8.968 1.256 1.00 0.56 C ATOM 760 O HIS A 43 14.313 9.082 1.250 1.00 0.62 O ATOM 761 CB HIS A 43 12.820 7.277 3.078 1.00 0.62 C ATOM 762 CG HIS A 43 11.762 7.644 4.076 1.00 0.71 C ATOM 763 ND1 HIS A 43 12.032 7.924 5.398 1.00 1.17 N ATOM 764 CD2 HIS A 43 10.419 7.756 3.940 1.00 0.87 C ATOM 765 CE1 HIS A 43 10.904 8.192 6.028 1.00 1.12 C ATOM 766 NE2 HIS A 43 9.913 8.096 5.167 1.00 0.87 N ATOM 0 H HIS A 43 13.579 5.950 1.108 1.00 0.46 H new ATOM 0 HA HIS A 43 11.369 7.721 1.566 1.00 0.53 H new ATOM 0 HB2 HIS A 43 13.009 6.205 3.139 1.00 0.62 H new ATOM 0 HB3 HIS A 43 13.749 7.780 3.345 1.00 0.62 H new ATOM 0 HD2 HIS A 43 9.852 7.605 3.033 1.00 0.87 H new ATOM 0 HE1 HIS A 43 10.810 8.447 7.073 1.00 1.12 H new ATOM 0 HE2 HIS A 43 8.927 8.250 5.379 1.00 0.87 H new ATOM 775 N PRO A 44 12.278 9.985 0.918 1.00 0.54 N ATOM 776 CA PRO A 44 12.773 11.332 0.588 1.00 0.58 C ATOM 777 C PRO A 44 13.597 11.930 1.722 1.00 0.68 C ATOM 778 O PRO A 44 14.422 12.815 1.510 1.00 0.72 O ATOM 779 CB PRO A 44 11.500 12.154 0.370 1.00 0.58 C ATOM 780 CG PRO A 44 10.406 11.341 0.972 1.00 0.57 C ATOM 781 CD PRO A 44 10.817 9.909 0.808 1.00 0.51 C ATOM 0 HA PRO A 44 13.432 11.317 -0.280 1.00 0.58 H new ATOM 0 HB2 PRO A 44 11.574 13.131 0.848 1.00 0.58 H new ATOM 0 HB3 PRO A 44 11.322 12.331 -0.691 1.00 0.58 H new ATOM 0 HG2 PRO A 44 10.269 11.590 2.024 1.00 0.57 H new ATOM 0 HG3 PRO A 44 9.456 11.534 0.473 1.00 0.57 H new ATOM 0 HD2 PRO A 44 10.384 9.272 1.579 1.00 0.51 H new ATOM 0 HD3 PRO A 44 10.503 9.504 -0.154 1.00 0.51 H new ATOM 789 N ASP A 45 13.353 11.444 2.931 1.00 0.74 N ATOM 790 CA ASP A 45 14.161 11.811 4.082 1.00 0.85 C ATOM 791 C ASP A 45 15.613 11.400 3.867 1.00 0.89 C ATOM 792 O ASP A 45 16.534 12.113 4.254 1.00 0.96 O ATOM 793 CB ASP A 45 13.615 11.149 5.345 1.00 0.92 C ATOM 794 CG ASP A 45 14.518 11.358 6.546 1.00 1.06 C ATOM 795 OD1 ASP A 45 14.521 12.471 7.108 1.00 1.11 O ATOM 796 OD2 ASP A 45 15.234 10.410 6.933 1.00 1.16 O ATOM 0 H ASP A 45 12.597 10.791 3.139 1.00 0.74 H new ATOM 0 HA ASP A 45 14.117 12.893 4.202 1.00 0.85 H new ATOM 0 HB2 ASP A 45 12.626 11.551 5.564 1.00 0.92 H new ATOM 0 HB3 ASP A 45 13.493 10.080 5.168 1.00 0.92 H new ATOM 801 N LYS A 46 15.810 10.255 3.225 1.00 0.87 N ATOM 802 CA LYS A 46 17.150 9.752 2.950 1.00 0.94 C ATOM 803 C LYS A 46 17.583 10.149 1.551 1.00 0.90 C ATOM 804 O LYS A 46 18.760 10.057 1.197 1.00 0.99 O ATOM 805 CB LYS A 46 17.203 8.228 3.063 1.00 1.00 C ATOM 806 CG LYS A 46 16.487 7.664 4.274 1.00 1.04 C ATOM 807 CD LYS A 46 16.998 6.273 4.612 1.00 1.13 C ATOM 808 CE LYS A 46 18.482 6.288 4.948 1.00 1.57 C ATOM 809 NZ LYS A 46 18.768 7.082 6.173 1.00 2.08 N ATOM 0 H LYS A 46 15.057 9.656 2.885 1.00 0.87 H new ATOM 0 HA LYS A 46 17.822 10.189 3.689 1.00 0.94 H new ATOM 0 HB2 LYS A 46 16.767 7.794 2.163 1.00 1.00 H new ATOM 0 HB3 LYS A 46 18.246 7.914 3.094 1.00 1.00 H new ATOM 0 HG2 LYS A 46 16.633 8.326 5.128 1.00 1.04 H new ATOM 0 HG3 LYS A 46 15.415 7.624 4.081 1.00 1.04 H new ATOM 0 HD2 LYS A 46 16.437 5.874 5.457 1.00 1.13 H new ATOM 0 HD3 LYS A 46 16.822 5.605 3.769 1.00 1.13 H new ATOM 0 HE2 LYS A 46 18.832 5.265 5.089 1.00 1.57 H new ATOM 0 HE3 LYS A 46 19.040 6.703 4.108 1.00 1.57 H new ATOM 0 HZ1 LYS A 46 19.760 6.943 6.453 1.00 2.08 H new ATOM 0 HZ2 LYS A 46 18.601 8.090 5.980 1.00 2.08 H new ATOM 0 HZ3 LYS A 46 18.144 6.769 6.943 1.00 2.08 H new ATOM 823 N ASN A 47 16.621 10.576 0.752 1.00 0.79 N ATOM 824 CA ASN A 47 16.879 10.941 -0.629 1.00 0.77 C ATOM 825 C ASN A 47 16.233 12.277 -0.946 1.00 0.74 C ATOM 826 O ASN A 47 15.192 12.338 -1.598 1.00 0.66 O ATOM 827 CB ASN A 47 16.353 9.875 -1.590 1.00 0.69 C ATOM 828 CG ASN A 47 16.934 8.500 -1.328 1.00 0.74 C ATOM 829 OD1 ASN A 47 17.953 8.126 -1.909 1.00 0.83 O ATOM 830 ND2 ASN A 47 16.293 7.742 -0.450 1.00 0.71 N ATOM 0 H ASN A 47 15.648 10.679 1.039 1.00 0.79 H new ATOM 0 HA ASN A 47 17.958 11.019 -0.759 1.00 0.77 H new ATOM 0 HB2 ASN A 47 15.267 9.825 -1.509 1.00 0.69 H new ATOM 0 HB3 ASN A 47 16.583 10.171 -2.613 1.00 0.69 H new ATOM 0 HD21 ASN A 47 16.641 6.808 -0.232 1.00 0.71 H new ATOM 0 HD22 ASN A 47 15.452 8.092 0.008 1.00 0.71 H new ATOM 837 N PRO A 48 16.830 13.362 -0.446 1.00 0.82 N ATOM 838 CA PRO A 48 16.350 14.722 -0.690 1.00 0.84 C ATOM 839 C PRO A 48 16.442 15.105 -2.162 1.00 0.84 C ATOM 840 O PRO A 48 17.218 14.510 -2.916 1.00 0.86 O ATOM 841 CB PRO A 48 17.299 15.589 0.141 1.00 0.93 C ATOM 842 CG PRO A 48 18.519 14.755 0.313 1.00 0.99 C ATOM 843 CD PRO A 48 18.022 13.346 0.409 1.00 0.92 C ATOM 0 HA PRO A 48 15.300 14.839 -0.423 1.00 0.84 H new ATOM 0 HB2 PRO A 48 17.528 16.525 -0.368 1.00 0.93 H new ATOM 0 HB3 PRO A 48 16.858 15.849 1.103 1.00 0.93 H new ATOM 0 HG2 PRO A 48 19.200 14.876 -0.529 1.00 0.99 H new ATOM 0 HG3 PRO A 48 19.068 15.041 1.210 1.00 0.99 H new ATOM 0 HD2 PRO A 48 18.764 12.630 0.055 1.00 0.92 H new ATOM 0 HD3 PRO A 48 17.780 13.072 1.436 1.00 0.92 H new ATOM 851 N ASP A 49 15.639 16.093 -2.556 1.00 0.85 N ATOM 852 CA ASP A 49 15.591 16.578 -3.939 1.00 0.89 C ATOM 853 C ASP A 49 14.953 15.524 -4.841 1.00 0.82 C ATOM 854 O ASP A 49 14.996 15.613 -6.066 1.00 0.88 O ATOM 855 CB ASP A 49 17.000 16.948 -4.438 1.00 0.98 C ATOM 856 CG ASP A 49 16.999 17.672 -5.774 1.00 1.08 C ATOM 857 OD1 ASP A 49 16.614 18.860 -5.812 1.00 1.20 O ATOM 858 OD2 ASP A 49 17.411 17.067 -6.790 1.00 1.09 O ATOM 0 H ASP A 49 15.002 16.581 -1.926 1.00 0.85 H new ATOM 0 HA ASP A 49 14.979 17.479 -3.972 1.00 0.89 H new ATOM 0 HB2 ASP A 49 17.487 17.577 -3.693 1.00 0.98 H new ATOM 0 HB3 ASP A 49 17.596 16.039 -4.526 1.00 0.98 H new ATOM 863 N ASN A 50 14.338 14.527 -4.222 1.00 0.74 N ATOM 864 CA ASN A 50 13.704 13.449 -4.963 1.00 0.68 C ATOM 865 C ASN A 50 12.253 13.299 -4.526 1.00 0.64 C ATOM 866 O ASN A 50 11.948 12.613 -3.549 1.00 0.61 O ATOM 867 CB ASN A 50 14.452 12.125 -4.770 1.00 0.65 C ATOM 868 CG ASN A 50 14.050 11.079 -5.789 1.00 0.64 C ATOM 869 OD1 ASN A 50 12.958 11.124 -6.356 1.00 0.83 O ATOM 870 ND2 ASN A 50 14.919 10.112 -6.007 1.00 0.74 N ATOM 0 H ASN A 50 14.265 14.443 -3.208 1.00 0.74 H new ATOM 0 HA ASN A 50 13.737 13.702 -6.023 1.00 0.68 H new ATOM 0 HB2 ASN A 50 15.525 12.304 -4.841 1.00 0.65 H new ATOM 0 HB3 ASN A 50 14.258 11.744 -3.767 1.00 0.65 H new ATOM 0 HD21 ASN A 50 14.697 9.365 -6.666 1.00 0.74 H new ATOM 0 HD22 ASN A 50 15.814 10.110 -5.517 1.00 0.74 H new ATOM 877 N PRO A 51 11.344 13.983 -5.228 1.00 0.67 N ATOM 878 CA PRO A 51 9.908 13.913 -4.964 1.00 0.68 C ATOM 879 C PRO A 51 9.309 12.621 -5.502 1.00 0.66 C ATOM 880 O PRO A 51 8.306 12.115 -4.996 1.00 0.67 O ATOM 881 CB PRO A 51 9.336 15.118 -5.724 1.00 0.78 C ATOM 882 CG PRO A 51 10.515 15.868 -6.253 1.00 0.79 C ATOM 883 CD PRO A 51 11.641 14.889 -6.333 1.00 0.73 C ATOM 0 HA PRO A 51 9.684 13.929 -3.897 1.00 0.68 H new ATOM 0 HB2 PRO A 51 8.684 14.794 -6.535 1.00 0.78 H new ATOM 0 HB3 PRO A 51 8.737 15.747 -5.065 1.00 0.78 H new ATOM 0 HG2 PRO A 51 10.298 16.290 -7.234 1.00 0.79 H new ATOM 0 HG3 PRO A 51 10.771 16.701 -5.598 1.00 0.79 H new ATOM 0 HD2 PRO A 51 11.661 14.369 -7.291 1.00 0.73 H new ATOM 0 HD3 PRO A 51 12.610 15.373 -6.213 1.00 0.73 H new ATOM 891 N GLU A 52 9.948 12.098 -6.540 1.00 0.66 N ATOM 892 CA GLU A 52 9.524 10.853 -7.163 1.00 0.67 C ATOM 893 C GLU A 52 9.650 9.695 -6.183 1.00 0.57 C ATOM 894 O GLU A 52 8.812 8.794 -6.158 1.00 0.56 O ATOM 895 CB GLU A 52 10.369 10.571 -8.404 1.00 0.72 C ATOM 896 CG GLU A 52 10.457 11.751 -9.352 1.00 0.95 C ATOM 897 CD GLU A 52 11.064 11.382 -10.685 1.00 1.28 C ATOM 898 OE1 GLU A 52 10.318 10.976 -11.601 1.00 1.53 O ATOM 899 OE2 GLU A 52 12.298 11.485 -10.821 1.00 1.66 O ATOM 0 H GLU A 52 10.769 12.522 -6.971 1.00 0.66 H new ATOM 0 HA GLU A 52 8.479 10.954 -7.455 1.00 0.67 H new ATOM 0 HB2 GLU A 52 11.375 10.288 -8.093 1.00 0.72 H new ATOM 0 HB3 GLU A 52 9.948 9.718 -8.936 1.00 0.72 H new ATOM 0 HG2 GLU A 52 9.459 12.159 -9.512 1.00 0.95 H new ATOM 0 HG3 GLU A 52 11.053 12.539 -8.891 1.00 0.95 H new ATOM 906 N ALA A 53 10.696 9.740 -5.369 1.00 0.53 N ATOM 907 CA ALA A 53 10.952 8.699 -4.381 1.00 0.46 C ATOM 908 C ALA A 53 9.788 8.558 -3.405 1.00 0.42 C ATOM 909 O ALA A 53 9.469 7.454 -2.978 1.00 0.37 O ATOM 910 CB ALA A 53 12.242 8.982 -3.633 1.00 0.47 C ATOM 0 H ALA A 53 11.386 10.491 -5.374 1.00 0.53 H new ATOM 0 HA ALA A 53 11.056 7.753 -4.913 1.00 0.46 H new ATOM 0 HB1 ALA A 53 12.417 8.195 -2.900 1.00 0.47 H new ATOM 0 HB2 ALA A 53 13.072 9.012 -4.338 1.00 0.47 H new ATOM 0 HB3 ALA A 53 12.164 9.942 -3.123 1.00 0.47 H new ATOM 916 N ALA A 54 9.145 9.675 -3.067 1.00 0.45 N ATOM 917 CA ALA A 54 7.977 9.653 -2.191 1.00 0.44 C ATOM 918 C ALA A 54 6.870 8.798 -2.787 1.00 0.43 C ATOM 919 O ALA A 54 6.214 8.030 -2.088 1.00 0.41 O ATOM 920 CB ALA A 54 7.455 11.058 -1.964 1.00 0.51 C ATOM 0 H ALA A 54 9.414 10.605 -3.387 1.00 0.45 H new ATOM 0 HA ALA A 54 8.285 9.223 -1.238 1.00 0.44 H new ATOM 0 HB1 ALA A 54 6.585 11.021 -1.309 1.00 0.51 H new ATOM 0 HB2 ALA A 54 8.233 11.665 -1.500 1.00 0.51 H new ATOM 0 HB3 ALA A 54 7.172 11.500 -2.919 1.00 0.51 H new ATOM 926 N ASP A 55 6.679 8.942 -4.088 1.00 0.46 N ATOM 927 CA ASP A 55 5.648 8.212 -4.810 1.00 0.47 C ATOM 928 C ASP A 55 5.965 6.726 -4.807 1.00 0.39 C ATOM 929 O ASP A 55 5.077 5.884 -4.672 1.00 0.36 O ATOM 930 CB ASP A 55 5.568 8.741 -6.241 1.00 0.57 C ATOM 931 CG ASP A 55 4.347 8.246 -6.988 1.00 0.63 C ATOM 932 OD1 ASP A 55 4.399 7.120 -7.527 1.00 0.66 O ATOM 933 OD2 ASP A 55 3.331 8.970 -7.037 1.00 0.72 O ATOM 0 H ASP A 55 7.233 9.567 -4.673 1.00 0.46 H new ATOM 0 HA ASP A 55 4.684 8.357 -4.321 1.00 0.47 H new ATOM 0 HB2 ASP A 55 5.557 9.831 -6.219 1.00 0.57 H new ATOM 0 HB3 ASP A 55 6.465 8.442 -6.784 1.00 0.57 H new ATOM 938 N LYS A 56 7.245 6.419 -4.936 1.00 0.39 N ATOM 939 CA LYS A 56 7.716 5.046 -4.869 1.00 0.34 C ATOM 940 C LYS A 56 7.557 4.514 -3.454 1.00 0.28 C ATOM 941 O LYS A 56 7.089 3.399 -3.245 1.00 0.26 O ATOM 942 CB LYS A 56 9.181 4.981 -5.267 1.00 0.38 C ATOM 943 CG LYS A 56 9.535 5.770 -6.517 1.00 0.48 C ATOM 944 CD LYS A 56 9.029 5.100 -7.783 1.00 0.64 C ATOM 945 CE LYS A 56 7.582 5.466 -8.089 1.00 0.83 C ATOM 946 NZ LYS A 56 7.079 4.785 -9.311 1.00 0.98 N ATOM 0 H LYS A 56 7.981 7.108 -5.089 1.00 0.39 H new ATOM 0 HA LYS A 56 7.126 4.438 -5.555 1.00 0.34 H new ATOM 0 HB2 LYS A 56 9.785 5.349 -4.438 1.00 0.38 H new ATOM 0 HB3 LYS A 56 9.455 3.938 -5.423 1.00 0.38 H new ATOM 0 HG2 LYS A 56 9.111 6.772 -6.444 1.00 0.48 H new ATOM 0 HG3 LYS A 56 10.617 5.885 -6.577 1.00 0.48 H new ATOM 0 HD2 LYS A 56 9.661 5.390 -8.623 1.00 0.64 H new ATOM 0 HD3 LYS A 56 9.114 4.018 -7.679 1.00 0.64 H new ATOM 0 HE2 LYS A 56 6.953 5.197 -7.240 1.00 0.83 H new ATOM 0 HE3 LYS A 56 7.501 6.545 -8.217 1.00 0.83 H new ATOM 0 HZ1 LYS A 56 6.698 5.493 -9.971 1.00 0.98 H new ATOM 0 HZ2 LYS A 56 7.859 4.270 -9.768 1.00 0.98 H new ATOM 0 HZ3 LYS A 56 6.328 4.115 -9.051 1.00 0.98 H new ATOM 960 N PHE A 57 7.937 5.336 -2.482 1.00 0.27 N ATOM 961 CA PHE A 57 7.826 4.969 -1.078 1.00 0.24 C ATOM 962 C PHE A 57 6.370 4.746 -0.712 1.00 0.24 C ATOM 963 O PHE A 57 6.050 3.961 0.168 1.00 0.26 O ATOM 964 CB PHE A 57 8.436 6.049 -0.177 1.00 0.27 C ATOM 965 CG PHE A 57 8.267 5.763 1.291 1.00 0.27 C ATOM 966 CD1 PHE A 57 9.018 4.775 1.908 1.00 0.31 C ATOM 967 CD2 PHE A 57 7.349 6.472 2.050 1.00 0.30 C ATOM 968 CE1 PHE A 57 8.856 4.500 3.252 1.00 0.36 C ATOM 969 CE2 PHE A 57 7.185 6.202 3.395 1.00 0.34 C ATOM 970 CZ PHE A 57 7.940 5.215 3.997 1.00 0.37 C ATOM 0 H PHE A 57 8.326 6.265 -2.644 1.00 0.27 H new ATOM 0 HA PHE A 57 8.381 4.044 -0.923 1.00 0.24 H new ATOM 0 HB2 PHE A 57 9.498 6.143 -0.402 1.00 0.27 H new ATOM 0 HB3 PHE A 57 7.975 7.009 -0.409 1.00 0.27 H new ATOM 0 HD1 PHE A 57 9.738 4.214 1.331 1.00 0.31 H new ATOM 0 HD2 PHE A 57 6.755 7.245 1.584 1.00 0.30 H new ATOM 0 HE1 PHE A 57 9.446 3.726 3.720 1.00 0.36 H new ATOM 0 HE2 PHE A 57 6.467 6.762 3.975 1.00 0.34 H new ATOM 0 HZ PHE A 57 7.814 5.003 5.048 1.00 0.37 H new ATOM 980 N LYS A 58 5.501 5.426 -1.421 1.00 0.26 N ATOM 981 CA LYS A 58 4.076 5.354 -1.183 1.00 0.28 C ATOM 982 C LYS A 58 3.487 4.026 -1.674 1.00 0.26 C ATOM 983 O LYS A 58 2.637 3.438 -1.002 1.00 0.29 O ATOM 984 CB LYS A 58 3.412 6.560 -1.851 1.00 0.32 C ATOM 985 CG LYS A 58 2.050 6.275 -2.453 1.00 0.36 C ATOM 986 CD LYS A 58 1.423 7.517 -3.063 1.00 0.52 C ATOM 987 CE LYS A 58 2.300 8.094 -4.158 1.00 0.79 C ATOM 988 NZ LYS A 58 1.517 8.899 -5.131 1.00 1.41 N ATOM 0 H LYS A 58 5.763 6.049 -2.185 1.00 0.26 H new ATOM 0 HA LYS A 58 3.882 5.387 -0.111 1.00 0.28 H new ATOM 0 HB2 LYS A 58 3.310 7.357 -1.114 1.00 0.32 H new ATOM 0 HB3 LYS A 58 4.071 6.933 -2.635 1.00 0.32 H new ATOM 0 HG2 LYS A 58 2.147 5.505 -3.218 1.00 0.36 H new ATOM 0 HG3 LYS A 58 1.390 5.877 -1.682 1.00 0.36 H new ATOM 0 HD2 LYS A 58 0.443 7.270 -3.471 1.00 0.52 H new ATOM 0 HD3 LYS A 58 1.265 8.266 -2.287 1.00 0.52 H new ATOM 0 HE2 LYS A 58 3.075 8.718 -3.712 1.00 0.79 H new ATOM 0 HE3 LYS A 58 2.806 7.283 -4.682 1.00 0.79 H new ATOM 0 HZ1 LYS A 58 2.151 9.261 -5.872 1.00 1.41 H new ATOM 0 HZ2 LYS A 58 0.783 8.303 -5.564 1.00 1.41 H new ATOM 0 HZ3 LYS A 58 1.068 9.698 -4.639 1.00 1.41 H new ATOM 1002 N GLU A 59 3.943 3.543 -2.828 1.00 0.25 N ATOM 1003 CA GLU A 59 3.464 2.259 -3.342 1.00 0.24 C ATOM 1004 C GLU A 59 4.078 1.107 -2.561 1.00 0.23 C ATOM 1005 O GLU A 59 3.414 0.103 -2.296 1.00 0.25 O ATOM 1006 CB GLU A 59 3.742 2.101 -4.847 1.00 0.28 C ATOM 1007 CG GLU A 59 5.180 2.360 -5.264 1.00 0.32 C ATOM 1008 CD GLU A 59 5.411 2.119 -6.745 1.00 0.40 C ATOM 1009 OE1 GLU A 59 4.939 2.935 -7.563 1.00 0.54 O ATOM 1010 OE2 GLU A 59 6.071 1.119 -7.101 1.00 0.51 O ATOM 0 H GLU A 59 4.632 4.011 -3.417 1.00 0.25 H new ATOM 0 HA GLU A 59 2.383 2.239 -3.207 1.00 0.24 H new ATOM 0 HB2 GLU A 59 3.469 1.090 -5.148 1.00 0.28 H new ATOM 0 HB3 GLU A 59 3.092 2.783 -5.395 1.00 0.28 H new ATOM 0 HG2 GLU A 59 5.445 3.389 -5.022 1.00 0.32 H new ATOM 0 HG3 GLU A 59 5.843 1.716 -4.687 1.00 0.32 H new ATOM 1017 N ILE A 60 5.338 1.251 -2.173 1.00 0.23 N ATOM 1018 CA ILE A 60 5.995 0.224 -1.379 1.00 0.24 C ATOM 1019 C ILE A 60 5.431 0.229 0.034 1.00 0.24 C ATOM 1020 O ILE A 60 5.298 -0.819 0.662 1.00 0.27 O ATOM 1021 CB ILE A 60 7.530 0.393 -1.369 1.00 0.26 C ATOM 1022 CG1 ILE A 60 7.942 1.681 -0.661 1.00 0.24 C ATOM 1023 CG2 ILE A 60 8.058 0.384 -2.793 1.00 0.29 C ATOM 1024 CD1 ILE A 60 9.400 2.040 -0.844 1.00 0.28 C ATOM 0 H ILE A 60 5.919 2.060 -2.392 1.00 0.23 H new ATOM 0 HA ILE A 60 5.792 -0.743 -1.839 1.00 0.24 H new ATOM 0 HB ILE A 60 7.962 -0.443 -0.818 1.00 0.26 H new ATOM 0 HG12 ILE A 60 7.327 2.501 -1.031 1.00 0.24 H new ATOM 0 HG13 ILE A 60 7.733 1.582 0.404 1.00 0.24 H new ATOM 0 HG21 ILE A 60 9.141 0.504 -2.780 1.00 0.29 H new ATOM 0 HG22 ILE A 60 7.803 -0.563 -3.270 1.00 0.29 H new ATOM 0 HG23 ILE A 60 7.609 1.205 -3.353 1.00 0.29 H new ATOM 0 HD11 ILE A 60 9.616 2.966 -0.312 1.00 0.28 H new ATOM 0 HD12 ILE A 60 10.024 1.240 -0.447 1.00 0.28 H new ATOM 0 HD13 ILE A 60 9.612 2.173 -1.905 1.00 0.28 H new ATOM 1036 N ASN A 61 5.055 1.422 0.498 1.00 0.24 N ATOM 1037 CA ASN A 61 4.344 1.591 1.764 1.00 0.28 C ATOM 1038 C ASN A 61 3.088 0.727 1.782 1.00 0.29 C ATOM 1039 O ASN A 61 2.645 0.262 2.830 1.00 0.36 O ATOM 1040 CB ASN A 61 3.962 3.071 1.945 1.00 0.36 C ATOM 1041 CG ASN A 61 2.928 3.318 3.031 1.00 0.51 C ATOM 1042 OD1 ASN A 61 3.266 3.530 4.194 1.00 0.62 O ATOM 1043 ND2 ASN A 61 1.657 3.326 2.651 1.00 0.60 N ATOM 0 H ASN A 61 5.235 2.297 0.006 1.00 0.24 H new ATOM 0 HA ASN A 61 4.994 1.281 2.582 1.00 0.28 H new ATOM 0 HB2 ASN A 61 4.861 3.641 2.178 1.00 0.36 H new ATOM 0 HB3 ASN A 61 3.578 3.454 0.999 1.00 0.36 H new ATOM 0 HD21 ASN A 61 0.922 3.513 3.333 1.00 0.60 H new ATOM 0 HD22 ASN A 61 1.415 3.146 1.677 1.00 0.60 H new ATOM 1050 N ASN A 62 2.535 0.518 0.593 1.00 0.25 N ATOM 1051 CA ASN A 62 1.295 -0.222 0.419 1.00 0.27 C ATOM 1052 C ASN A 62 1.538 -1.726 0.401 1.00 0.22 C ATOM 1053 O ASN A 62 1.030 -2.451 1.241 1.00 0.20 O ATOM 1054 CB ASN A 62 0.646 0.178 -0.898 1.00 0.32 C ATOM 1055 CG ASN A 62 -0.771 -0.312 -1.020 1.00 0.36 C ATOM 1056 OD1 ASN A 62 -1.704 0.405 -0.699 1.00 0.77 O ATOM 1057 ND2 ASN A 62 -0.937 -1.541 -1.483 1.00 0.21 N ATOM 0 H ASN A 62 2.937 0.859 -0.280 1.00 0.25 H new ATOM 0 HA ASN A 62 0.645 0.017 1.260 1.00 0.27 H new ATOM 0 HB2 ASN A 62 0.660 1.264 -0.990 1.00 0.32 H new ATOM 0 HB3 ASN A 62 1.236 -0.219 -1.724 1.00 0.32 H new ATOM 0 HD21 ASN A 62 -1.876 -1.925 -1.584 1.00 0.21 H new ATOM 0 HD22 ASN A 62 -0.126 -2.104 -1.739 1.00 0.21 H new ATOM 1064 N ALA A 63 2.333 -2.181 -0.569 1.00 0.20 N ATOM 1065 CA ALA A 63 2.487 -3.611 -0.853 1.00 0.18 C ATOM 1066 C ALA A 63 3.069 -4.393 0.328 1.00 0.14 C ATOM 1067 O ALA A 63 2.989 -5.618 0.362 1.00 0.14 O ATOM 1068 CB ALA A 63 3.361 -3.798 -2.081 1.00 0.19 C ATOM 0 H ALA A 63 2.885 -1.575 -1.176 1.00 0.20 H new ATOM 0 HA ALA A 63 1.490 -4.012 -1.036 1.00 0.18 H new ATOM 0 HB1 ALA A 63 3.473 -4.862 -2.289 1.00 0.19 H new ATOM 0 HB2 ALA A 63 2.896 -3.308 -2.937 1.00 0.19 H new ATOM 0 HB3 ALA A 63 4.342 -3.358 -1.900 1.00 0.19 H new ATOM 1074 N HIS A 64 3.633 -3.666 1.283 1.00 0.13 N ATOM 1075 CA HIS A 64 4.309 -4.240 2.448 1.00 0.11 C ATOM 1076 C HIS A 64 3.532 -5.402 3.095 1.00 0.13 C ATOM 1077 O HIS A 64 4.087 -6.481 3.293 1.00 0.20 O ATOM 1078 CB HIS A 64 4.573 -3.108 3.457 1.00 0.15 C ATOM 1079 CG HIS A 64 4.676 -3.524 4.892 1.00 0.37 C ATOM 1080 ND1 HIS A 64 3.656 -3.334 5.795 1.00 1.02 N ATOM 1081 CD2 HIS A 64 5.687 -4.092 5.587 1.00 1.02 C ATOM 1082 CE1 HIS A 64 4.033 -3.765 6.979 1.00 1.00 C ATOM 1083 NE2 HIS A 64 5.265 -4.231 6.885 1.00 0.96 N ATOM 0 H HIS A 64 3.636 -2.646 1.274 1.00 0.13 H new ATOM 0 HA HIS A 64 5.249 -4.681 2.117 1.00 0.11 H new ATOM 0 HB2 HIS A 64 5.499 -2.606 3.177 1.00 0.15 H new ATOM 0 HB3 HIS A 64 3.772 -2.374 3.368 1.00 0.15 H new ATOM 0 HD2 HIS A 64 6.650 -4.383 5.193 1.00 1.02 H new ATOM 0 HE1 HIS A 64 3.435 -3.742 7.878 1.00 1.00 H new ATOM 0 HE2 HIS A 64 5.811 -4.628 7.649 1.00 0.96 H new ATOM 1092 N ALA A 65 2.276 -5.180 3.449 1.00 0.14 N ATOM 1093 CA ALA A 65 1.494 -6.204 4.136 1.00 0.17 C ATOM 1094 C ALA A 65 0.717 -7.091 3.170 1.00 0.13 C ATOM 1095 O ALA A 65 0.628 -8.299 3.371 1.00 0.14 O ATOM 1096 CB ALA A 65 0.541 -5.563 5.131 1.00 0.25 C ATOM 0 H ALA A 65 1.776 -4.308 3.275 1.00 0.14 H new ATOM 0 HA ALA A 65 2.202 -6.841 4.665 1.00 0.17 H new ATOM 0 HB1 ALA A 65 -0.035 -6.339 5.635 1.00 0.25 H new ATOM 0 HB2 ALA A 65 1.111 -4.997 5.868 1.00 0.25 H new ATOM 0 HB3 ALA A 65 -0.138 -4.892 4.604 1.00 0.25 H new ATOM 1102 N ILE A 66 0.185 -6.484 2.115 1.00 0.13 N ATOM 1103 CA ILE A 66 -0.810 -7.124 1.239 1.00 0.12 C ATOM 1104 C ILE A 66 -0.368 -8.494 0.738 1.00 0.13 C ATOM 1105 O ILE A 66 -1.181 -9.405 0.582 1.00 0.21 O ATOM 1106 CB ILE A 66 -1.109 -6.279 -0.012 1.00 0.13 C ATOM 1107 CG1 ILE A 66 -0.666 -4.826 0.165 1.00 0.14 C ATOM 1108 CG2 ILE A 66 -2.588 -6.354 -0.337 1.00 0.13 C ATOM 1109 CD1 ILE A 66 -1.454 -4.051 1.191 1.00 0.14 C ATOM 0 H ILE A 66 0.427 -5.533 1.836 1.00 0.13 H new ATOM 0 HA ILE A 66 -1.696 -7.222 1.866 1.00 0.12 H new ATOM 0 HB ILE A 66 -0.536 -6.689 -0.844 1.00 0.13 H new ATOM 0 HG12 ILE A 66 0.387 -4.813 0.448 1.00 0.14 H new ATOM 0 HG13 ILE A 66 -0.744 -4.316 -0.795 1.00 0.14 H new ATOM 0 HG21 ILE A 66 -2.797 -5.755 -1.223 1.00 0.13 H new ATOM 0 HG22 ILE A 66 -2.867 -7.391 -0.526 1.00 0.13 H new ATOM 0 HG23 ILE A 66 -3.165 -5.971 0.504 1.00 0.13 H new ATOM 0 HD11 ILE A 66 -1.072 -3.032 1.250 1.00 0.14 H new ATOM 0 HD12 ILE A 66 -2.505 -4.028 0.902 1.00 0.14 H new ATOM 0 HD13 ILE A 66 -1.356 -4.532 2.164 1.00 0.14 H new ATOM 1121 N LEU A 67 0.916 -8.612 0.460 1.00 0.12 N ATOM 1122 CA LEU A 67 1.477 -9.812 -0.145 1.00 0.14 C ATOM 1123 C LEU A 67 1.238 -11.044 0.711 1.00 0.16 C ATOM 1124 O LEU A 67 0.967 -12.126 0.198 1.00 0.21 O ATOM 1125 CB LEU A 67 2.972 -9.627 -0.338 1.00 0.15 C ATOM 1126 CG LEU A 67 3.381 -8.264 -0.877 1.00 0.14 C ATOM 1127 CD1 LEU A 67 4.871 -8.217 -1.122 1.00 0.16 C ATOM 1128 CD2 LEU A 67 2.610 -7.947 -2.145 1.00 0.16 C ATOM 0 H LEU A 67 1.602 -7.881 0.646 1.00 0.12 H new ATOM 0 HA LEU A 67 0.980 -9.964 -1.103 1.00 0.14 H new ATOM 0 HB2 LEU A 67 3.470 -9.789 0.618 1.00 0.15 H new ATOM 0 HB3 LEU A 67 3.334 -10.396 -1.021 1.00 0.15 H new ATOM 0 HG LEU A 67 3.139 -7.506 -0.133 1.00 0.14 H new ATOM 0 HD11 LEU A 67 5.146 -7.235 -1.507 1.00 0.16 H new ATOM 0 HD12 LEU A 67 5.400 -8.401 -0.187 1.00 0.16 H new ATOM 0 HD13 LEU A 67 5.144 -8.981 -1.849 1.00 0.16 H new ATOM 0 HD21 LEU A 67 2.912 -6.969 -2.520 1.00 0.16 H new ATOM 0 HD22 LEU A 67 2.821 -8.706 -2.899 1.00 0.16 H new ATOM 0 HD23 LEU A 67 1.542 -7.938 -1.929 1.00 0.16 H new ATOM 1140 N THR A 68 1.354 -10.865 2.009 1.00 0.15 N ATOM 1141 CA THR A 68 1.258 -11.968 2.943 1.00 0.18 C ATOM 1142 C THR A 68 -0.005 -11.868 3.802 1.00 0.18 C ATOM 1143 O THR A 68 -0.507 -12.875 4.308 1.00 0.23 O ATOM 1144 CB THR A 68 2.517 -12.007 3.836 1.00 0.21 C ATOM 1145 OG1 THR A 68 2.387 -12.993 4.866 1.00 0.27 O ATOM 1146 CG2 THR A 68 2.777 -10.641 4.449 1.00 0.20 C ATOM 0 H THR A 68 1.516 -9.958 2.445 1.00 0.15 H new ATOM 0 HA THR A 68 1.193 -12.894 2.372 1.00 0.18 H new ATOM 0 HB THR A 68 3.365 -12.279 3.208 1.00 0.21 H new ATOM 0 HG1 THR A 68 3.197 -12.999 5.417 1.00 0.27 H new ATOM 0 HG21 THR A 68 3.668 -10.687 5.075 1.00 0.20 H new ATOM 0 HG22 THR A 68 2.928 -9.909 3.656 1.00 0.20 H new ATOM 0 HG23 THR A 68 1.921 -10.346 5.056 1.00 0.20 H new ATOM 1154 N ASP A 69 -0.528 -10.659 3.950 1.00 0.17 N ATOM 1155 CA ASP A 69 -1.713 -10.434 4.768 1.00 0.19 C ATOM 1156 C ASP A 69 -2.978 -10.673 3.953 1.00 0.17 C ATOM 1157 O ASP A 69 -3.288 -9.912 3.031 1.00 0.19 O ATOM 1158 CB ASP A 69 -1.725 -9.009 5.316 1.00 0.21 C ATOM 1159 CG ASP A 69 -2.685 -8.837 6.476 1.00 0.27 C ATOM 1160 OD1 ASP A 69 -3.904 -9.002 6.279 1.00 0.28 O ATOM 1161 OD2 ASP A 69 -2.224 -8.495 7.587 1.00 0.58 O ATOM 0 H ASP A 69 -0.150 -9.818 3.514 1.00 0.17 H new ATOM 0 HA ASP A 69 -1.685 -11.137 5.601 1.00 0.19 H new ATOM 0 HB2 ASP A 69 -0.719 -8.740 5.639 1.00 0.21 H new ATOM 0 HB3 ASP A 69 -1.999 -8.319 4.518 1.00 0.21 H new ATOM 1166 N ALA A 70 -3.706 -11.723 4.305 1.00 0.19 N ATOM 1167 CA ALA A 70 -4.924 -12.100 3.596 1.00 0.21 C ATOM 1168 C ALA A 70 -5.990 -11.023 3.702 1.00 0.18 C ATOM 1169 O ALA A 70 -6.825 -10.879 2.809 1.00 0.19 O ATOM 1170 CB ALA A 70 -5.459 -13.416 4.132 1.00 0.27 C ATOM 0 H ALA A 70 -3.472 -12.336 5.086 1.00 0.19 H new ATOM 0 HA ALA A 70 -4.670 -12.217 2.542 1.00 0.21 H new ATOM 0 HB1 ALA A 70 -6.368 -13.685 3.594 1.00 0.27 H new ATOM 0 HB2 ALA A 70 -4.711 -14.196 3.994 1.00 0.27 H new ATOM 0 HB3 ALA A 70 -5.683 -13.312 5.194 1.00 0.27 H new ATOM 1176 N THR A 71 -5.958 -10.265 4.786 1.00 0.17 N ATOM 1177 CA THR A 71 -6.917 -9.200 4.983 1.00 0.17 C ATOM 1178 C THR A 71 -6.652 -8.059 4.009 1.00 0.14 C ATOM 1179 O THR A 71 -7.551 -7.627 3.298 1.00 0.15 O ATOM 1180 CB THR A 71 -6.887 -8.670 6.423 1.00 0.20 C ATOM 1181 OG1 THR A 71 -7.213 -9.726 7.340 1.00 0.25 O ATOM 1182 CG2 THR A 71 -7.858 -7.516 6.598 1.00 0.21 C ATOM 0 H THR A 71 -5.278 -10.370 5.539 1.00 0.17 H new ATOM 0 HA THR A 71 -7.908 -9.614 4.795 1.00 0.17 H new ATOM 0 HB THR A 71 -5.881 -8.306 6.632 1.00 0.20 H new ATOM 0 HG1 THR A 71 -7.190 -9.381 8.257 1.00 0.25 H new ATOM 0 HG21 THR A 71 -7.817 -7.159 7.627 1.00 0.21 H new ATOM 0 HG22 THR A 71 -7.586 -6.706 5.922 1.00 0.21 H new ATOM 0 HG23 THR A 71 -8.869 -7.854 6.371 1.00 0.21 H new ATOM 1190 N LYS A 72 -5.413 -7.587 3.953 1.00 0.13 N ATOM 1191 CA LYS A 72 -5.068 -6.527 3.031 1.00 0.13 C ATOM 1192 C LYS A 72 -5.248 -7.003 1.600 1.00 0.12 C ATOM 1193 O LYS A 72 -5.683 -6.251 0.748 1.00 0.13 O ATOM 1194 CB LYS A 72 -3.637 -6.029 3.253 1.00 0.15 C ATOM 1195 CG LYS A 72 -3.465 -5.146 4.483 1.00 0.17 C ATOM 1196 CD LYS A 72 -3.617 -5.929 5.774 1.00 0.17 C ATOM 1197 CE LYS A 72 -3.324 -5.078 6.996 1.00 0.24 C ATOM 1198 NZ LYS A 72 -3.164 -5.906 8.222 1.00 0.71 N ATOM 0 H LYS A 72 -4.642 -7.921 4.531 1.00 0.13 H new ATOM 0 HA LYS A 72 -5.739 -5.689 3.217 1.00 0.13 H new ATOM 0 HB2 LYS A 72 -2.975 -6.890 3.343 1.00 0.15 H new ATOM 0 HB3 LYS A 72 -3.318 -5.472 2.372 1.00 0.15 H new ATOM 0 HG2 LYS A 72 -2.481 -4.677 4.458 1.00 0.17 H new ATOM 0 HG3 LYS A 72 -4.201 -4.343 4.458 1.00 0.17 H new ATOM 0 HD2 LYS A 72 -4.631 -6.322 5.842 1.00 0.17 H new ATOM 0 HD3 LYS A 72 -2.943 -6.786 5.759 1.00 0.17 H new ATOM 0 HE2 LYS A 72 -2.415 -4.500 6.827 1.00 0.24 H new ATOM 0 HE3 LYS A 72 -4.134 -4.363 7.143 1.00 0.24 H new ATOM 0 HZ1 LYS A 72 -2.574 -5.397 8.910 1.00 0.71 H new ATOM 0 HZ2 LYS A 72 -4.098 -6.094 8.639 1.00 0.71 H new ATOM 0 HZ3 LYS A 72 -2.708 -6.807 7.975 1.00 0.71 H new ATOM 1212 N ARG A 73 -4.937 -8.264 1.339 1.00 0.13 N ATOM 1213 CA ARG A 73 -5.128 -8.823 0.004 1.00 0.15 C ATOM 1214 C ARG A 73 -6.616 -8.874 -0.327 1.00 0.16 C ATOM 1215 O ARG A 73 -7.016 -8.827 -1.490 1.00 0.19 O ATOM 1216 CB ARG A 73 -4.524 -10.221 -0.073 1.00 0.18 C ATOM 1217 CG ARG A 73 -4.135 -10.656 -1.476 1.00 0.38 C ATOM 1218 CD ARG A 73 -3.126 -9.705 -2.108 1.00 0.47 C ATOM 1219 NE ARG A 73 -2.518 -10.286 -3.308 1.00 0.49 N ATOM 1220 CZ ARG A 73 -1.355 -10.944 -3.319 1.00 0.88 C ATOM 1221 NH1 ARG A 73 -0.687 -11.151 -2.188 1.00 1.45 N ATOM 1222 NH2 ARG A 73 -0.881 -11.416 -4.468 1.00 0.97 N ATOM 0 H ARG A 73 -4.555 -8.916 2.024 1.00 0.13 H new ATOM 0 HA ARG A 73 -4.624 -8.186 -0.723 1.00 0.15 H new ATOM 0 HB2 ARG A 73 -3.641 -10.258 0.565 1.00 0.18 H new ATOM 0 HB3 ARG A 73 -5.240 -10.937 0.332 1.00 0.18 H new ATOM 0 HG2 ARG A 73 -3.714 -11.661 -1.441 1.00 0.38 H new ATOM 0 HG3 ARG A 73 -5.027 -10.706 -2.101 1.00 0.38 H new ATOM 0 HD2 ARG A 73 -3.620 -8.768 -2.366 1.00 0.47 H new ATOM 0 HD3 ARG A 73 -2.347 -9.466 -1.384 1.00 0.47 H new ATOM 0 HE ARG A 73 -3.015 -10.181 -4.193 1.00 0.49 H new ATOM 0 HH11 ARG A 73 -1.062 -10.807 -1.304 1.00 1.45 H new ATOM 0 HH12 ARG A 73 0.200 -11.654 -2.204 1.00 1.45 H new ATOM 0 HH21 ARG A 73 -1.404 -11.275 -5.332 1.00 0.97 H new ATOM 0 HH22 ARG A 73 0.006 -11.919 -4.485 1.00 0.97 H new ATOM 1236 N ASN A 74 -7.426 -8.956 0.716 1.00 0.16 N ATOM 1237 CA ASN A 74 -8.872 -8.945 0.578 1.00 0.18 C ATOM 1238 C ASN A 74 -9.364 -7.540 0.278 1.00 0.17 C ATOM 1239 O ASN A 74 -10.322 -7.354 -0.470 1.00 0.23 O ATOM 1240 CB ASN A 74 -9.516 -9.485 1.855 1.00 0.21 C ATOM 1241 CG ASN A 74 -10.214 -10.811 1.644 1.00 0.31 C ATOM 1242 OD1 ASN A 74 -10.814 -11.056 0.598 1.00 0.57 O ATOM 1243 ND2 ASN A 74 -10.129 -11.682 2.636 1.00 0.43 N ATOM 0 H ASN A 74 -7.100 -9.032 1.680 1.00 0.16 H new ATOM 0 HA ASN A 74 -9.157 -9.587 -0.256 1.00 0.18 H new ATOM 0 HB2 ASN A 74 -8.750 -9.601 2.622 1.00 0.21 H new ATOM 0 HB3 ASN A 74 -10.235 -8.757 2.230 1.00 0.21 H new ATOM 0 HD21 ASN A 74 -10.571 -12.597 2.550 1.00 0.43 H new ATOM 0 HD22 ASN A 74 -9.622 -11.438 3.487 1.00 0.43 H new ATOM 1250 N ILE A 75 -8.695 -6.553 0.851 1.00 0.13 N ATOM 1251 CA ILE A 75 -8.988 -5.166 0.534 1.00 0.13 C ATOM 1252 C ILE A 75 -8.418 -4.827 -0.833 1.00 0.14 C ATOM 1253 O ILE A 75 -9.053 -4.134 -1.601 1.00 0.15 O ATOM 1254 CB ILE A 75 -8.453 -4.179 1.615 1.00 0.14 C ATOM 1255 CG1 ILE A 75 -9.401 -4.133 2.820 1.00 0.18 C ATOM 1256 CG2 ILE A 75 -8.268 -2.768 1.051 1.00 0.17 C ATOM 1257 CD1 ILE A 75 -9.560 -5.453 3.539 1.00 0.20 C ATOM 0 H ILE A 75 -7.949 -6.686 1.534 1.00 0.13 H new ATOM 0 HA ILE A 75 -10.072 -5.050 0.520 1.00 0.13 H new ATOM 0 HB ILE A 75 -7.479 -4.548 1.935 1.00 0.14 H new ATOM 0 HG12 ILE A 75 -9.034 -3.389 3.528 1.00 0.18 H new ATOM 0 HG13 ILE A 75 -10.381 -3.796 2.483 1.00 0.18 H new ATOM 0 HG21 ILE A 75 -7.894 -2.109 1.835 1.00 0.17 H new ATOM 0 HG22 ILE A 75 -7.553 -2.796 0.228 1.00 0.17 H new ATOM 0 HG23 ILE A 75 -9.225 -2.393 0.688 1.00 0.17 H new ATOM 0 HD11 ILE A 75 -10.246 -5.331 4.377 1.00 0.20 H new ATOM 0 HD12 ILE A 75 -9.958 -6.197 2.849 1.00 0.20 H new ATOM 0 HD13 ILE A 75 -8.590 -5.784 3.910 1.00 0.20 H new ATOM 1269 N TYR A 76 -7.240 -5.366 -1.134 1.00 0.15 N ATOM 1270 CA TYR A 76 -6.578 -5.173 -2.427 1.00 0.18 C ATOM 1271 C TYR A 76 -7.536 -5.396 -3.595 1.00 0.19 C ATOM 1272 O TYR A 76 -7.503 -4.666 -4.587 1.00 0.26 O ATOM 1273 CB TYR A 76 -5.373 -6.126 -2.536 1.00 0.21 C ATOM 1274 CG TYR A 76 -5.144 -6.693 -3.924 1.00 0.22 C ATOM 1275 CD1 TYR A 76 -4.453 -5.962 -4.882 1.00 0.36 C ATOM 1276 CD2 TYR A 76 -5.603 -7.957 -4.271 1.00 0.28 C ATOM 1277 CE1 TYR A 76 -4.230 -6.470 -6.144 1.00 0.44 C ATOM 1278 CE2 TYR A 76 -5.380 -8.472 -5.534 1.00 0.36 C ATOM 1279 CZ TYR A 76 -4.754 -7.740 -6.469 1.00 0.41 C ATOM 1280 OH TYR A 76 -4.465 -8.237 -7.723 1.00 0.52 O ATOM 0 H TYR A 76 -6.713 -5.952 -0.487 1.00 0.15 H new ATOM 0 HA TYR A 76 -6.236 -4.139 -2.481 1.00 0.18 H new ATOM 0 HB2 TYR A 76 -4.475 -5.594 -2.222 1.00 0.21 H new ATOM 0 HB3 TYR A 76 -5.514 -6.952 -1.839 1.00 0.21 H new ATOM 0 HD1 TYR A 76 -4.084 -4.978 -4.634 1.00 0.36 H new ATOM 0 HD2 TYR A 76 -6.142 -8.546 -3.544 1.00 0.28 H new ATOM 0 HE1 TYR A 76 -3.664 -5.906 -6.871 1.00 0.44 H new ATOM 0 HE2 TYR A 76 -5.712 -9.472 -5.771 1.00 0.36 H new ATOM 0 HH TYR A 76 -4.880 -9.119 -7.829 1.00 0.52 H new ATOM 1290 N ASP A 77 -8.380 -6.411 -3.478 1.00 0.18 N ATOM 1291 CA ASP A 77 -9.322 -6.738 -4.545 1.00 0.22 C ATOM 1292 C ASP A 77 -10.408 -5.669 -4.682 1.00 0.22 C ATOM 1293 O ASP A 77 -11.007 -5.513 -5.746 1.00 0.30 O ATOM 1294 CB ASP A 77 -9.962 -8.102 -4.289 1.00 0.31 C ATOM 1295 CG ASP A 77 -10.826 -8.560 -5.447 1.00 1.00 C ATOM 1296 OD1 ASP A 77 -10.268 -9.108 -6.423 1.00 1.21 O ATOM 1297 OD2 ASP A 77 -12.059 -8.373 -5.392 1.00 1.74 O ATOM 0 H ASP A 77 -8.434 -7.020 -2.662 1.00 0.18 H new ATOM 0 HA ASP A 77 -8.763 -6.773 -5.480 1.00 0.22 H new ATOM 0 HB2 ASP A 77 -9.180 -8.839 -4.109 1.00 0.31 H new ATOM 0 HB3 ASP A 77 -10.568 -8.052 -3.384 1.00 0.31 H new ATOM 1302 N LYS A 78 -10.632 -4.912 -3.616 1.00 0.20 N ATOM 1303 CA LYS A 78 -11.704 -3.934 -3.579 1.00 0.21 C ATOM 1304 C LYS A 78 -11.118 -2.530 -3.662 1.00 0.20 C ATOM 1305 O LYS A 78 -11.391 -1.770 -4.589 1.00 0.24 O ATOM 1306 CB LYS A 78 -12.492 -4.093 -2.276 1.00 0.22 C ATOM 1307 CG LYS A 78 -13.106 -5.472 -2.092 1.00 0.29 C ATOM 1308 CD LYS A 78 -13.605 -5.671 -0.669 1.00 0.33 C ATOM 1309 CE LYS A 78 -14.322 -7.002 -0.506 1.00 1.31 C ATOM 1310 NZ LYS A 78 -14.826 -7.198 0.881 1.00 1.92 N ATOM 0 H LYS A 78 -10.079 -4.960 -2.760 1.00 0.20 H new ATOM 0 HA LYS A 78 -12.372 -4.092 -4.426 1.00 0.21 H new ATOM 0 HB2 LYS A 78 -11.830 -3.885 -1.435 1.00 0.22 H new ATOM 0 HB3 LYS A 78 -13.285 -3.346 -2.249 1.00 0.22 H new ATOM 0 HG2 LYS A 78 -13.933 -5.600 -2.791 1.00 0.29 H new ATOM 0 HG3 LYS A 78 -12.366 -6.236 -2.330 1.00 0.29 H new ATOM 0 HD2 LYS A 78 -12.763 -5.624 0.022 1.00 0.33 H new ATOM 0 HD3 LYS A 78 -14.281 -4.858 -0.403 1.00 0.33 H new ATOM 0 HE2 LYS A 78 -15.157 -7.052 -1.205 1.00 1.31 H new ATOM 0 HE3 LYS A 78 -13.642 -7.814 -0.763 1.00 1.31 H new ATOM 0 HZ1 LYS A 78 -15.308 -8.117 0.949 1.00 1.92 H new ATOM 0 HZ2 LYS A 78 -14.027 -7.176 1.547 1.00 1.92 H new ATOM 0 HZ3 LYS A 78 -15.495 -6.438 1.118 1.00 1.92 H new ATOM 1324 N TYR A 79 -10.296 -2.216 -2.680 1.00 0.18 N ATOM 1325 CA TYR A 79 -9.604 -0.950 -2.612 1.00 0.19 C ATOM 1326 C TYR A 79 -8.119 -1.187 -2.842 1.00 0.21 C ATOM 1327 O TYR A 79 -7.477 -1.895 -2.070 1.00 0.30 O ATOM 1328 CB TYR A 79 -9.832 -0.304 -1.243 1.00 0.23 C ATOM 1329 CG TYR A 79 -11.281 -0.317 -0.808 1.00 0.34 C ATOM 1330 CD1 TYR A 79 -12.165 0.667 -1.231 1.00 0.60 C ATOM 1331 CD2 TYR A 79 -11.767 -1.327 0.012 1.00 0.50 C ATOM 1332 CE1 TYR A 79 -13.491 0.647 -0.846 1.00 0.75 C ATOM 1333 CE2 TYR A 79 -13.092 -1.356 0.396 1.00 0.65 C ATOM 1334 CZ TYR A 79 -13.949 -0.369 -0.035 1.00 0.72 C ATOM 1335 OH TYR A 79 -15.272 -0.401 0.343 1.00 0.88 O ATOM 0 H TYR A 79 -10.090 -2.841 -1.901 1.00 0.18 H new ATOM 0 HA TYR A 79 -9.988 -0.277 -3.379 1.00 0.19 H new ATOM 0 HB2 TYR A 79 -9.232 -0.826 -0.498 1.00 0.23 H new ATOM 0 HB3 TYR A 79 -9.478 0.726 -1.272 1.00 0.23 H new ATOM 0 HD1 TYR A 79 -11.810 1.461 -1.871 1.00 0.60 H new ATOM 0 HD2 TYR A 79 -11.097 -2.102 0.355 1.00 0.50 H new ATOM 0 HE1 TYR A 79 -14.165 1.423 -1.178 1.00 0.75 H new ATOM 0 HE2 TYR A 79 -13.455 -2.150 1.032 1.00 0.65 H new ATOM 0 HH TYR A 79 -15.431 -1.182 0.913 1.00 0.88 H new ATOM 1345 N GLY A 80 -7.580 -0.611 -3.904 1.00 0.20 N ATOM 1346 CA GLY A 80 -6.170 -0.765 -4.187 1.00 0.25 C ATOM 1347 C GLY A 80 -5.300 0.021 -3.230 1.00 0.20 C ATOM 1348 O GLY A 80 -5.492 -0.025 -2.016 1.00 0.22 O ATOM 0 H GLY A 80 -8.094 -0.040 -4.575 1.00 0.20 H new ATOM 0 HA2 GLY A 80 -5.904 -1.821 -4.132 1.00 0.25 H new ATOM 0 HA3 GLY A 80 -5.969 -0.439 -5.208 1.00 0.25 H new ATOM 1352 N SER A 81 -4.369 0.775 -3.785 1.00 0.23 N ATOM 1353 CA SER A 81 -3.381 1.498 -3.000 1.00 0.25 C ATOM 1354 C SER A 81 -4.009 2.362 -1.899 1.00 0.23 C ATOM 1355 O SER A 81 -3.454 2.463 -0.826 1.00 0.25 O ATOM 1356 CB SER A 81 -2.531 2.359 -3.930 1.00 0.34 C ATOM 1357 OG SER A 81 -2.065 1.599 -5.033 1.00 0.41 O ATOM 0 H SER A 81 -4.275 0.905 -4.792 1.00 0.23 H new ATOM 0 HA SER A 81 -2.758 0.760 -2.495 1.00 0.25 H new ATOM 0 HB2 SER A 81 -3.118 3.205 -4.287 1.00 0.34 H new ATOM 0 HB3 SER A 81 -1.683 2.768 -3.381 1.00 0.34 H new ATOM 0 HG SER A 81 -1.524 2.169 -5.618 1.00 0.41 H new ATOM 1363 N LEU A 82 -5.152 2.995 -2.151 1.00 0.23 N ATOM 1364 CA LEU A 82 -5.772 3.829 -1.116 1.00 0.25 C ATOM 1365 C LEU A 82 -6.233 3.010 0.074 1.00 0.22 C ATOM 1366 O LEU A 82 -5.734 3.205 1.180 1.00 0.23 O ATOM 1367 CB LEU A 82 -6.945 4.654 -1.639 1.00 0.29 C ATOM 1368 CG LEU A 82 -7.654 5.458 -0.543 1.00 0.42 C ATOM 1369 CD1 LEU A 82 -6.664 6.323 0.203 1.00 0.62 C ATOM 1370 CD2 LEU A 82 -8.752 6.324 -1.118 1.00 0.69 C ATOM 0 H LEU A 82 -5.659 2.952 -3.035 1.00 0.23 H new ATOM 0 HA LEU A 82 -4.987 4.515 -0.798 1.00 0.25 H new ATOM 0 HB2 LEU A 82 -6.586 5.338 -2.408 1.00 0.29 H new ATOM 0 HB3 LEU A 82 -7.665 3.989 -2.116 1.00 0.29 H new ATOM 0 HG LEU A 82 -8.103 4.745 0.148 1.00 0.42 H new ATOM 0 HD11 LEU A 82 -7.184 6.887 0.977 1.00 0.62 H new ATOM 0 HD12 LEU A 82 -5.904 5.692 0.663 1.00 0.62 H new ATOM 0 HD13 LEU A 82 -6.189 7.015 -0.492 1.00 0.62 H new ATOM 0 HD21 LEU A 82 -9.235 6.881 -0.315 1.00 0.69 H new ATOM 0 HD22 LEU A 82 -8.325 7.022 -1.838 1.00 0.69 H new ATOM 0 HD23 LEU A 82 -9.489 5.694 -1.616 1.00 0.69 H new ATOM 1382 N GLY A 83 -7.188 2.110 -0.145 1.00 0.23 N ATOM 1383 CA GLY A 83 -7.700 1.315 0.939 1.00 0.23 C ATOM 1384 C GLY A 83 -6.594 0.599 1.662 1.00 0.21 C ATOM 1385 O GLY A 83 -6.625 0.475 2.872 1.00 0.23 O ATOM 0 H GLY A 83 -7.611 1.923 -1.054 1.00 0.23 H new ATOM 0 HA2 GLY A 83 -8.240 1.954 1.638 1.00 0.23 H new ATOM 0 HA3 GLY A 83 -8.415 0.588 0.554 1.00 0.23 H new ATOM 1389 N LEU A 84 -5.589 0.178 0.917 1.00 0.20 N ATOM 1390 CA LEU A 84 -4.456 -0.522 1.498 1.00 0.20 C ATOM 1391 C LEU A 84 -3.504 0.432 2.218 1.00 0.21 C ATOM 1392 O LEU A 84 -3.017 0.113 3.291 1.00 0.23 O ATOM 1393 CB LEU A 84 -3.717 -1.297 0.423 1.00 0.20 C ATOM 1394 CG LEU A 84 -4.523 -2.410 -0.228 1.00 0.25 C ATOM 1395 CD1 LEU A 84 -3.718 -3.065 -1.338 1.00 0.24 C ATOM 1396 CD2 LEU A 84 -4.930 -3.426 0.821 1.00 0.30 C ATOM 0 H LEU A 84 -5.533 0.308 -0.093 1.00 0.20 H new ATOM 0 HA LEU A 84 -4.842 -1.218 2.243 1.00 0.20 H new ATOM 0 HB2 LEU A 84 -3.395 -0.600 -0.351 1.00 0.20 H new ATOM 0 HB3 LEU A 84 -2.816 -1.728 0.860 1.00 0.20 H new ATOM 0 HG LEU A 84 -5.425 -1.989 -0.672 1.00 0.25 H new ATOM 0 HD11 LEU A 84 -4.308 -3.860 -1.795 1.00 0.24 H new ATOM 0 HD12 LEU A 84 -3.466 -2.320 -2.093 1.00 0.24 H new ATOM 0 HD13 LEU A 84 -2.802 -3.486 -0.923 1.00 0.24 H new ATOM 0 HD21 LEU A 84 -5.507 -4.222 0.351 1.00 0.30 H new ATOM 0 HD22 LEU A 84 -4.038 -3.849 1.283 1.00 0.30 H new ATOM 0 HD23 LEU A 84 -5.538 -2.938 1.583 1.00 0.30 H new ATOM 1408 N TYR A 85 -3.254 1.602 1.641 1.00 0.21 N ATOM 1409 CA TYR A 85 -2.378 2.597 2.258 1.00 0.23 C ATOM 1410 C TYR A 85 -2.813 2.883 3.690 1.00 0.24 C ATOM 1411 O TYR A 85 -1.985 3.065 4.583 1.00 0.26 O ATOM 1412 CB TYR A 85 -2.367 3.882 1.403 1.00 0.25 C ATOM 1413 CG TYR A 85 -2.639 5.167 2.152 1.00 0.29 C ATOM 1414 CD1 TYR A 85 -3.939 5.626 2.331 1.00 0.28 C ATOM 1415 CD2 TYR A 85 -1.598 5.929 2.665 1.00 0.38 C ATOM 1416 CE1 TYR A 85 -4.192 6.804 3.003 1.00 0.37 C ATOM 1417 CE2 TYR A 85 -1.844 7.108 3.339 1.00 0.45 C ATOM 1418 CZ TYR A 85 -3.142 7.541 3.505 1.00 0.44 C ATOM 1419 OH TYR A 85 -3.391 8.714 4.180 1.00 0.52 O ATOM 0 H TYR A 85 -3.646 1.887 0.744 1.00 0.21 H new ATOM 0 HA TYR A 85 -1.362 2.204 2.300 1.00 0.23 H new ATOM 0 HB2 TYR A 85 -1.395 3.965 0.916 1.00 0.25 H new ATOM 0 HB3 TYR A 85 -3.111 3.778 0.613 1.00 0.25 H new ATOM 0 HD1 TYR A 85 -4.764 5.051 1.938 1.00 0.28 H new ATOM 0 HD2 TYR A 85 -0.580 5.594 2.535 1.00 0.38 H new ATOM 0 HE1 TYR A 85 -5.208 7.147 3.135 1.00 0.37 H new ATOM 0 HE2 TYR A 85 -1.024 7.688 3.734 1.00 0.45 H new ATOM 0 HH TYR A 85 -2.543 9.111 4.470 1.00 0.52 H new ATOM 1429 N VAL A 86 -4.113 2.912 3.901 1.00 0.23 N ATOM 1430 CA VAL A 86 -4.661 3.132 5.227 1.00 0.25 C ATOM 1431 C VAL A 86 -4.885 1.810 5.987 1.00 0.24 C ATOM 1432 O VAL A 86 -4.655 1.734 7.197 1.00 0.27 O ATOM 1433 CB VAL A 86 -5.971 3.958 5.141 1.00 0.28 C ATOM 1434 CG1 VAL A 86 -6.862 3.455 4.019 1.00 0.26 C ATOM 1435 CG2 VAL A 86 -6.726 3.944 6.457 1.00 0.32 C ATOM 0 H VAL A 86 -4.813 2.786 3.170 1.00 0.23 H new ATOM 0 HA VAL A 86 -3.928 3.703 5.797 1.00 0.25 H new ATOM 0 HB VAL A 86 -5.688 4.988 4.924 1.00 0.28 H new ATOM 0 HG11 VAL A 86 -7.773 4.052 3.982 1.00 0.26 H new ATOM 0 HG12 VAL A 86 -6.334 3.540 3.069 1.00 0.26 H new ATOM 0 HG13 VAL A 86 -7.120 2.411 4.199 1.00 0.26 H new ATOM 0 HG21 VAL A 86 -7.638 4.533 6.359 1.00 0.32 H new ATOM 0 HG22 VAL A 86 -6.983 2.917 6.718 1.00 0.32 H new ATOM 0 HG23 VAL A 86 -6.100 4.372 7.240 1.00 0.32 H new ATOM 1445 N ALA A 87 -5.290 0.761 5.281 1.00 0.23 N ATOM 1446 CA ALA A 87 -5.639 -0.506 5.929 1.00 0.24 C ATOM 1447 C ALA A 87 -4.422 -1.351 6.267 1.00 0.22 C ATOM 1448 O ALA A 87 -4.406 -2.044 7.279 1.00 0.24 O ATOM 1449 CB ALA A 87 -6.577 -1.315 5.060 1.00 0.25 C ATOM 0 H ALA A 87 -5.386 0.758 4.266 1.00 0.23 H new ATOM 0 HA ALA A 87 -6.132 -0.240 6.864 1.00 0.24 H new ATOM 0 HB1 ALA A 87 -6.822 -2.251 5.562 1.00 0.25 H new ATOM 0 HB2 ALA A 87 -7.491 -0.747 4.885 1.00 0.25 H new ATOM 0 HB3 ALA A 87 -6.095 -1.530 4.106 1.00 0.25 H new ATOM 1455 N GLU A 88 -3.414 -1.315 5.419 1.00 0.20 N ATOM 1456 CA GLU A 88 -2.233 -2.129 5.632 1.00 0.21 C ATOM 1457 C GLU A 88 -1.398 -1.519 6.749 1.00 0.20 C ATOM 1458 O GLU A 88 -0.780 -2.228 7.542 1.00 0.25 O ATOM 1459 CB GLU A 88 -1.438 -2.267 4.317 1.00 0.21 C ATOM 1460 CG GLU A 88 -0.265 -1.309 4.158 1.00 0.25 C ATOM 1461 CD GLU A 88 1.021 -1.881 4.718 1.00 0.86 C ATOM 1462 OE1 GLU A 88 1.610 -2.753 4.066 1.00 1.28 O ATOM 1463 OE2 GLU A 88 1.437 -1.485 5.826 1.00 1.24 O ATOM 0 H GLU A 88 -3.388 -0.735 4.581 1.00 0.20 H new ATOM 0 HA GLU A 88 -2.520 -3.135 5.938 1.00 0.21 H new ATOM 0 HB2 GLU A 88 -1.063 -3.288 4.244 1.00 0.21 H new ATOM 0 HB3 GLU A 88 -2.122 -2.118 3.482 1.00 0.21 H new ATOM 0 HG2 GLU A 88 -0.128 -1.077 3.102 1.00 0.25 H new ATOM 0 HG3 GLU A 88 -0.494 -0.371 4.663 1.00 0.25 H new ATOM 1470 N GLN A 89 -1.433 -0.197 6.824 1.00 0.22 N ATOM 1471 CA GLN A 89 -0.656 0.542 7.802 1.00 0.24 C ATOM 1472 C GLN A 89 -1.372 0.614 9.147 1.00 0.29 C ATOM 1473 O GLN A 89 -0.752 0.427 10.195 1.00 0.36 O ATOM 1474 CB GLN A 89 -0.372 1.949 7.274 1.00 0.25 C ATOM 1475 CG GLN A 89 0.624 1.975 6.128 1.00 0.27 C ATOM 1476 CD GLN A 89 2.046 1.694 6.581 1.00 0.32 C ATOM 1477 OE1 GLN A 89 2.437 2.042 7.698 1.00 0.35 O ATOM 1478 NE2 GLN A 89 2.826 1.048 5.728 1.00 0.38 N ATOM 0 H GLN A 89 -1.999 0.390 6.211 1.00 0.22 H new ATOM 0 HA GLN A 89 0.285 0.016 7.960 1.00 0.24 H new ATOM 0 HB2 GLN A 89 -1.307 2.400 6.943 1.00 0.25 H new ATOM 0 HB3 GLN A 89 0.008 2.565 8.089 1.00 0.25 H new ATOM 0 HG2 GLN A 89 0.332 1.236 5.382 1.00 0.27 H new ATOM 0 HG3 GLN A 89 0.588 2.950 5.643 1.00 0.27 H new ATOM 0 HE21 GLN A 89 2.466 0.777 4.813 1.00 0.38 H new ATOM 0 HE22 GLN A 89 3.786 0.822 5.986 1.00 0.38 H new ATOM 1487 N PHE A 90 -2.676 0.869 9.120 1.00 0.29 N ATOM 1488 CA PHE A 90 -3.429 1.068 10.355 1.00 0.34 C ATOM 1489 C PHE A 90 -4.523 0.019 10.542 1.00 0.37 C ATOM 1490 O PHE A 90 -4.752 -0.444 11.658 1.00 0.43 O ATOM 1491 CB PHE A 90 -4.037 2.470 10.389 1.00 0.37 C ATOM 1492 CG PHE A 90 -3.014 3.568 10.436 1.00 0.42 C ATOM 1493 CD1 PHE A 90 -2.398 3.907 11.629 1.00 0.55 C ATOM 1494 CD2 PHE A 90 -2.669 4.263 9.287 1.00 0.43 C ATOM 1495 CE1 PHE A 90 -1.457 4.916 11.677 1.00 0.64 C ATOM 1496 CE2 PHE A 90 -1.728 5.274 9.330 1.00 0.53 C ATOM 1497 CZ PHE A 90 -1.122 5.601 10.526 1.00 0.62 C ATOM 0 H PHE A 90 -3.230 0.942 8.266 1.00 0.29 H new ATOM 0 HA PHE A 90 -2.725 0.957 11.180 1.00 0.34 H new ATOM 0 HB2 PHE A 90 -4.664 2.606 9.508 1.00 0.37 H new ATOM 0 HB3 PHE A 90 -4.688 2.554 11.259 1.00 0.37 H new ATOM 0 HD1 PHE A 90 -2.657 3.376 12.533 1.00 0.55 H new ATOM 0 HD2 PHE A 90 -3.141 4.012 8.349 1.00 0.43 H new ATOM 0 HE1 PHE A 90 -0.983 5.169 12.614 1.00 0.64 H new ATOM 0 HE2 PHE A 90 -1.467 5.808 8.428 1.00 0.53 H new ATOM 0 HZ PHE A 90 -0.387 6.391 10.562 1.00 0.62 H new ATOM 1507 N GLY A 91 -5.216 -0.340 9.472 1.00 0.36 N ATOM 1508 CA GLY A 91 -6.228 -1.370 9.573 1.00 0.41 C ATOM 1509 C GLY A 91 -7.560 -0.909 9.077 1.00 0.43 C ATOM 1510 O GLY A 91 -8.068 0.142 9.470 1.00 0.51 O ATOM 0 H GLY A 91 -5.097 0.060 8.541 1.00 0.36 H new ATOM 0 HA2 GLY A 91 -5.913 -2.243 9.002 1.00 0.41 H new ATOM 0 HA3 GLY A 91 -6.319 -1.685 10.612 1.00 0.41 H new ATOM 1514 N GLU A 92 -8.141 -1.720 8.229 1.00 0.43 N ATOM 1515 CA GLU A 92 -9.347 -1.349 7.533 1.00 0.47 C ATOM 1516 C GLU A 92 -10.566 -1.463 8.425 1.00 0.54 C ATOM 1517 O GLU A 92 -11.606 -0.860 8.164 1.00 0.63 O ATOM 1518 CB GLU A 92 -9.494 -2.165 6.263 1.00 0.50 C ATOM 1519 CG GLU A 92 -8.875 -3.537 6.339 1.00 0.92 C ATOM 1520 CD GLU A 92 -9.491 -4.427 7.399 1.00 1.83 C ATOM 1521 OE1 GLU A 92 -10.537 -5.051 7.127 1.00 2.23 O ATOM 1522 OE2 GLU A 92 -8.928 -4.501 8.514 1.00 2.69 O ATOM 0 H GLU A 92 -7.793 -2.652 8.002 1.00 0.43 H new ATOM 0 HA GLU A 92 -9.269 -0.299 7.250 1.00 0.47 H new ATOM 0 HB2 GLU A 92 -10.554 -2.269 6.031 1.00 0.50 H new ATOM 0 HB3 GLU A 92 -9.039 -1.618 5.437 1.00 0.50 H new ATOM 0 HG2 GLU A 92 -8.972 -4.023 5.368 1.00 0.92 H new ATOM 0 HG3 GLU A 92 -7.809 -3.434 6.539 1.00 0.92 H new ATOM 1529 N GLU A 93 -10.412 -2.217 9.489 1.00 0.57 N ATOM 1530 CA GLU A 93 -11.469 -2.404 10.456 1.00 0.66 C ATOM 1531 C GLU A 93 -11.733 -1.121 11.241 1.00 0.68 C ATOM 1532 O GLU A 93 -12.874 -0.822 11.588 1.00 0.79 O ATOM 1533 CB GLU A 93 -11.090 -3.541 11.404 1.00 0.70 C ATOM 1534 CG GLU A 93 -9.759 -3.320 12.110 1.00 0.68 C ATOM 1535 CD GLU A 93 -9.371 -4.475 13.005 1.00 1.00 C ATOM 1536 OE1 GLU A 93 -9.954 -4.604 14.100 1.00 1.33 O ATOM 1537 OE2 GLU A 93 -8.472 -5.252 12.619 1.00 1.19 O ATOM 0 H GLU A 93 -9.551 -2.718 9.708 1.00 0.57 H new ATOM 0 HA GLU A 93 -12.387 -2.661 9.927 1.00 0.66 H new ATOM 0 HB2 GLU A 93 -11.875 -3.658 12.152 1.00 0.70 H new ATOM 0 HB3 GLU A 93 -11.044 -4.473 10.841 1.00 0.70 H new ATOM 0 HG2 GLU A 93 -8.979 -3.166 11.365 1.00 0.68 H new ATOM 0 HG3 GLU A 93 -9.816 -2.408 12.705 1.00 0.68 H new ATOM 1544 N ASN A 94 -10.678 -0.363 11.517 1.00 0.61 N ATOM 1545 CA ASN A 94 -10.809 0.826 12.349 1.00 0.64 C ATOM 1546 C ASN A 94 -10.831 2.119 11.547 1.00 0.65 C ATOM 1547 O ASN A 94 -11.807 2.860 11.582 1.00 0.81 O ATOM 1548 CB ASN A 94 -9.717 0.883 13.432 1.00 0.63 C ATOM 1549 CG ASN A 94 -8.481 0.070 13.091 1.00 0.78 C ATOM 1550 OD1 ASN A 94 -8.380 -1.099 13.449 1.00 1.65 O ATOM 1551 ND2 ASN A 94 -7.524 0.675 12.415 1.00 0.70 N ATOM 0 H ASN A 94 -9.733 -0.548 11.181 1.00 0.61 H new ATOM 0 HA ASN A 94 -11.780 0.739 12.837 1.00 0.64 H new ATOM 0 HB2 ASN A 94 -9.427 1.922 13.589 1.00 0.63 H new ATOM 0 HB3 ASN A 94 -10.131 0.522 14.373 1.00 0.63 H new ATOM 0 HD21 ASN A 94 -6.671 0.170 12.176 1.00 0.70 H new ATOM 0 HD22 ASN A 94 -7.637 1.648 12.131 1.00 0.70 H new ATOM 1558 N VAL A 95 -9.768 2.396 10.824 1.00 0.54 N ATOM 1559 CA VAL A 95 -9.628 3.697 10.180 1.00 0.58 C ATOM 1560 C VAL A 95 -10.213 3.712 8.771 1.00 0.62 C ATOM 1561 O VAL A 95 -10.750 4.724 8.331 1.00 0.76 O ATOM 1562 CB VAL A 95 -8.159 4.140 10.145 1.00 0.57 C ATOM 1563 CG1 VAL A 95 -7.698 4.571 11.529 1.00 0.69 C ATOM 1564 CG2 VAL A 95 -7.296 3.010 9.635 1.00 0.49 C ATOM 0 H VAL A 95 -8.994 1.752 10.664 1.00 0.54 H new ATOM 0 HA VAL A 95 -10.198 4.405 10.782 1.00 0.58 H new ATOM 0 HB VAL A 95 -8.065 4.992 9.472 1.00 0.57 H new ATOM 0 HG11 VAL A 95 -6.654 4.882 11.484 1.00 0.69 H new ATOM 0 HG12 VAL A 95 -8.310 5.404 11.873 1.00 0.69 H new ATOM 0 HG13 VAL A 95 -7.799 3.736 12.222 1.00 0.69 H new ATOM 0 HG21 VAL A 95 -6.254 3.330 9.612 1.00 0.49 H new ATOM 0 HG22 VAL A 95 -7.397 2.149 10.295 1.00 0.49 H new ATOM 0 HG23 VAL A 95 -7.613 2.735 8.629 1.00 0.49 H new