USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 817 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 411 MET CE :methyl -103:sc= -3.07! (180deg=-4.96!) USER MOD Set 1.2: A 450 MET CE :methyl -164:sc= -5.38! (180deg=-6.48!) USER MOD Set 2.1: A 421 HIS : no HE2:sc= -3.14! C(o=-5.9!,f=-4.9!) USER MOD Set 2.2: A 442 CYS SG : rot 180:sc= -0.0488 USER MOD Set 2.3: A 444 ASN : amide:sc= -2.68 K(o=-5.9,f=-2.9) USER MOD Set 3.1: A 370 SER OG : rot -50:sc= -2.74! USER MOD Set 3.2: A 377 THR OG1 : rot 107:sc= 1.11 USER MOD Set 4.1: A 356 TYR OH : rot -29:sc= -0.359 USER MOD Set 4.2: A 358 LYS NZ :NH3+ -175:sc= 1.28 (180deg=0.0613) USER MOD Single : A 343 THR OG1 : rot -7:sc= 1.05 USER MOD Single : A 344 TYR OH : rot -176:sc= 0.478 USER MOD Single : A 351 ASN : amide:sc= -2.03! K(o=-2!,f=-1.5) USER MOD Single : A 352 GLN : amide:sc= -2.5! C(o=-2.5!,f=-4.9!) USER MOD Single : A 353 HIS : no HE2:sc= -5.49! C(o=-5.5!,f=-9.3!) USER MOD Single : A 354 MET CE :methyl -126:sc= -4.92! (180deg=-6.4!) USER MOD Single : A 357 TYR OH : rot 37:sc= 0.332 USER MOD Single : A 361 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 366 THR OG1 : rot 42:sc= -6.05! USER MOD Single : A 372 LYS NZ :NH3+ 155:sc= 0.41 (180deg=0.166) USER MOD Single : A 374 THR OG1 : rot -150:sc= -2.41 USER MOD Single : A 375 THR OG1 : rot 180:sc= 0 USER MOD Single : A 383 TYR OH : rot -84:sc= 1.03 USER MOD Single : A 386 ASN : amide:sc= -1.46! X(o=-1.5!,f=-1.4) USER MOD Single : A 387 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 392 THR OG1 : rot 180:sc= 0 USER MOD Single : A 394 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 405 SER OG : rot 180:sc= 0 USER MOD Single : A 408 ASN : amide:sc= -3.27! K(o=-3.3!,f=-0.28) USER MOD Single : A 409 TYR OH : rot 180:sc= 0 USER MOD Single : A 423 SER OG : rot 180:sc= 0 USER MOD Single : A 429 TYR OH : rot -126:sc= -3.96! USER MOD Single : A 435 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 436 THR OG1 : rot 114:sc= -1.77! USER MOD Single : A 439 SER OG : rot 170:sc= 0 USER MOD Single : A 440 HIS : no HD1:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 445 THR OG1 : rot -134:sc= 1.01 USER MOD Single : A 448 SER OG : rot 180:sc= 0 USER MOD Single : A 451 LYS NZ :NH3+ -122:sc= 0.752 (180deg=-0.112) USER MOD Single : A 456 MET CE :methyl -107:sc= -20.7! (180deg=-29!) USER MOD Single : A 459 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 461 THR OG1 : rot -150:sc= -0.0825 USER MOD ----------------------------------------------------------------- ATOM 60 N ASP A 342 18.447 1.003 6.009 1.00 0.24 N ATOM 61 CA ASP A 342 17.659 1.950 5.260 1.00 0.20 C ATOM 62 C ASP A 342 17.133 1.284 4.006 1.00 0.17 C ATOM 63 O ASP A 342 17.709 1.416 2.926 1.00 0.19 O ATOM 64 CB ASP A 342 18.460 3.199 4.885 1.00 0.22 C ATOM 65 CG ASP A 342 19.092 3.892 6.076 1.00 0.31 C ATOM 66 OD1 ASP A 342 18.400 4.692 6.745 1.00 0.39 O ATOM 67 OD2 ASP A 342 20.279 3.628 6.356 1.00 0.43 O1- ATOM 0 HA ASP A 342 16.832 2.271 5.894 1.00 0.20 H new ATOM 0 HB2 ASP A 342 19.243 2.921 4.179 1.00 0.22 H new ATOM 0 HB3 ASP A 342 17.803 3.902 4.372 1.00 0.22 H new ATOM 72 N THR A 343 16.033 0.565 4.178 1.00 0.13 N ATOM 73 CA THR A 343 15.233 0.050 3.085 1.00 0.10 C ATOM 74 C THR A 343 13.836 -0.276 3.578 1.00 0.08 C ATOM 75 O THR A 343 13.684 -0.885 4.636 1.00 0.10 O ATOM 76 CB THR A 343 15.804 -1.213 2.437 1.00 0.11 C ATOM 77 OG1 THR A 343 17.104 -0.953 1.889 1.00 0.14 O ATOM 78 CG2 THR A 343 14.851 -1.667 1.346 1.00 0.08 C ATOM 0 H THR A 343 15.668 0.321 5.099 1.00 0.13 H new ATOM 0 HA THR A 343 15.228 0.837 2.331 1.00 0.10 H new ATOM 0 HB THR A 343 15.909 -1.997 3.187 1.00 0.11 H new ATOM 0 HG1 THR A 343 17.299 0.005 1.951 1.00 0.14 H new ATOM 0 HG21 THR A 343 15.242 -2.567 0.872 1.00 0.08 H new ATOM 0 HG22 THR A 343 13.875 -1.881 1.781 1.00 0.08 H new ATOM 0 HG23 THR A 343 14.750 -0.879 0.600 1.00 0.08 H new ATOM 86 N TYR A 344 12.825 0.111 2.811 1.00 0.07 N ATOM 87 CA TYR A 344 11.439 -0.116 3.205 1.00 0.06 C ATOM 88 C TYR A 344 10.491 0.565 2.248 1.00 0.06 C ATOM 89 O TYR A 344 10.882 1.459 1.524 1.00 0.06 O ATOM 90 CB TYR A 344 11.196 0.461 4.587 1.00 0.08 C ATOM 91 CG TYR A 344 11.589 1.917 4.704 1.00 0.09 C ATOM 92 CD1 TYR A 344 12.894 2.260 5.015 1.00 0.12 C ATOM 93 CD2 TYR A 344 10.674 2.939 4.495 1.00 0.09 C ATOM 94 CE1 TYR A 344 13.282 3.579 5.117 1.00 0.13 C ATOM 95 CE2 TYR A 344 11.051 4.256 4.598 1.00 0.11 C ATOM 96 CZ TYR A 344 12.353 4.575 4.911 1.00 0.13 C ATOM 97 OH TYR A 344 12.725 5.896 5.002 1.00 0.15 O ATOM 0 H TYR A 344 12.937 0.583 1.914 1.00 0.07 H new ATOM 0 HA TYR A 344 11.263 -1.192 3.198 1.00 0.06 H new ATOM 0 HB2 TYR A 344 10.140 0.355 4.837 1.00 0.08 H new ATOM 0 HB3 TYR A 344 11.757 -0.120 5.320 1.00 0.08 H new ATOM 0 HD1 TYR A 344 13.622 1.479 5.181 1.00 0.12 H new ATOM 0 HD2 TYR A 344 9.651 2.696 4.248 1.00 0.09 H new ATOM 0 HE1 TYR A 344 14.305 3.829 5.356 1.00 0.13 H new ATOM 0 HE2 TYR A 344 10.327 5.040 4.434 1.00 0.11 H new ATOM 0 HH TYR A 344 11.936 6.466 4.891 1.00 0.15 H new ATOM 107 N ILE A 345 9.249 0.123 2.226 1.00 0.06 N ATOM 108 CA ILE A 345 8.207 0.900 1.603 1.00 0.06 C ATOM 109 C ILE A 345 7.796 2.008 2.517 1.00 0.07 C ATOM 110 O ILE A 345 7.861 1.873 3.733 1.00 0.08 O ATOM 111 CB ILE A 345 6.934 0.111 1.283 1.00 0.06 C ATOM 112 CG1 ILE A 345 7.224 -1.370 1.264 1.00 0.07 C ATOM 113 CG2 ILE A 345 6.420 0.537 -0.071 1.00 0.06 C ATOM 114 CD1 ILE A 345 8.277 -1.705 0.295 1.00 0.05 C ATOM 0 H ILE A 345 8.943 -0.762 2.630 1.00 0.06 H new ATOM 0 HA ILE A 345 8.638 1.251 0.665 1.00 0.06 H new ATOM 0 HB ILE A 345 6.186 0.312 2.050 1.00 0.06 H new ATOM 0 HG12 ILE A 345 7.529 -1.694 2.259 1.00 0.07 H new ATOM 0 HG13 ILE A 345 6.314 -1.916 1.016 1.00 0.07 H new ATOM 0 HG21 ILE A 345 5.513 -0.020 -0.308 1.00 0.06 H new ATOM 0 HG22 ILE A 345 6.197 1.604 -0.056 1.00 0.06 H new ATOM 0 HG23 ILE A 345 7.178 0.335 -0.828 1.00 0.06 H new ATOM 0 HD11 ILE A 345 8.457 -2.780 0.311 1.00 0.05 H new ATOM 0 HD12 ILE A 345 7.961 -1.405 -0.704 1.00 0.05 H new ATOM 0 HD13 ILE A 345 9.195 -1.179 0.559 1.00 0.05 H new ATOM 126 N GLU A 346 7.338 3.073 1.933 1.00 0.09 N ATOM 127 CA GLU A 346 6.974 4.244 2.685 1.00 0.12 C ATOM 128 C GLU A 346 5.857 4.977 1.975 1.00 0.17 C ATOM 129 O GLU A 346 5.816 5.006 0.767 1.00 0.21 O ATOM 130 CB GLU A 346 8.194 5.141 2.795 1.00 0.15 C ATOM 131 CG GLU A 346 7.941 6.341 3.661 1.00 0.13 C ATOM 132 CD GLU A 346 9.102 7.317 3.759 1.00 1.24 C ATOM 133 OE1 GLU A 346 10.032 7.064 4.559 1.00 2.01 O1- ATOM 134 OE2 GLU A 346 9.078 8.358 3.065 1.00 1.53 O ATOM 0 H GLU A 346 7.205 3.159 0.925 1.00 0.09 H new ATOM 0 HA GLU A 346 6.630 3.961 3.680 1.00 0.12 H new ATOM 0 HB2 GLU A 346 9.027 4.569 3.204 1.00 0.15 H new ATOM 0 HB3 GLU A 346 8.492 5.470 1.799 1.00 0.15 H new ATOM 0 HG2 GLU A 346 7.071 6.872 3.275 1.00 0.13 H new ATOM 0 HG3 GLU A 346 7.687 5.999 4.664 1.00 0.13 H new ATOM 141 N VAL A 347 4.910 5.505 2.720 1.00 0.17 N ATOM 142 CA VAL A 347 3.835 6.257 2.126 1.00 0.17 C ATOM 143 C VAL A 347 3.583 7.537 2.885 1.00 0.20 C ATOM 144 O VAL A 347 4.033 7.696 4.007 1.00 0.45 O ATOM 145 CB VAL A 347 2.516 5.477 2.077 1.00 0.15 C ATOM 146 CG1 VAL A 347 1.604 6.120 1.059 1.00 0.14 C ATOM 147 CG2 VAL A 347 2.740 4.009 1.756 1.00 0.15 C ATOM 0 H VAL A 347 4.866 5.426 3.736 1.00 0.17 H new ATOM 0 HA VAL A 347 4.159 6.468 1.107 1.00 0.17 H new ATOM 0 HB VAL A 347 2.050 5.514 3.062 1.00 0.15 H new ATOM 0 HG11 VAL A 347 0.663 5.572 1.017 1.00 0.14 H new ATOM 0 HG12 VAL A 347 1.410 7.154 1.346 1.00 0.14 H new ATOM 0 HG13 VAL A 347 2.081 6.099 0.079 1.00 0.14 H new ATOM 0 HG21 VAL A 347 1.781 3.492 1.731 1.00 0.15 H new ATOM 0 HG22 VAL A 347 3.227 3.919 0.785 1.00 0.15 H new ATOM 0 HG23 VAL A 347 3.373 3.562 2.522 1.00 0.15 H new ATOM 157 N ASP A 348 2.901 8.445 2.225 1.00 0.10 N ATOM 158 CA ASP A 348 2.437 9.682 2.800 1.00 0.09 C ATOM 159 C ASP A 348 1.044 9.948 2.258 1.00 0.08 C ATOM 160 O ASP A 348 0.864 10.253 1.097 1.00 0.10 O ATOM 161 CB ASP A 348 3.381 10.819 2.402 1.00 0.12 C ATOM 162 CG ASP A 348 3.148 12.055 3.231 1.00 0.16 C ATOM 163 OD1 ASP A 348 1.970 12.413 3.471 1.00 0.16 O1- ATOM 164 OD2 ASP A 348 4.145 12.667 3.667 1.00 0.24 O ATOM 0 H ASP A 348 2.647 8.337 1.243 1.00 0.10 H new ATOM 0 HA ASP A 348 2.414 9.618 3.888 1.00 0.09 H new ATOM 0 HB2 ASP A 348 4.414 10.492 2.520 1.00 0.12 H new ATOM 0 HB3 ASP A 348 3.240 11.056 1.348 1.00 0.12 H new ATOM 169 N LEU A 349 0.071 9.768 3.122 1.00 0.08 N ATOM 170 CA LEU A 349 -1.354 9.733 2.759 1.00 0.09 C ATOM 171 C LEU A 349 -1.898 11.114 2.674 1.00 0.12 C ATOM 172 O LEU A 349 -2.838 11.412 1.950 1.00 0.16 O ATOM 173 CB LEU A 349 -2.125 9.005 3.839 1.00 0.10 C ATOM 174 CG LEU A 349 -1.478 7.729 4.290 1.00 0.08 C ATOM 175 CD1 LEU A 349 -0.823 7.058 3.117 1.00 0.07 C ATOM 176 CD2 LEU A 349 -0.475 8.029 5.367 1.00 0.08 C ATOM 0 H LEU A 349 0.236 9.638 4.120 1.00 0.08 H new ATOM 0 HA LEU A 349 -1.454 9.231 1.797 1.00 0.09 H new ATOM 0 HB2 LEU A 349 -2.241 9.666 4.698 1.00 0.10 H new ATOM 0 HB3 LEU A 349 -3.126 8.783 3.470 1.00 0.10 H new ATOM 0 HG LEU A 349 -2.230 7.054 4.698 1.00 0.08 H new ATOM 0 HD11 LEU A 349 -0.353 6.131 3.444 1.00 0.07 H new ATOM 0 HD12 LEU A 349 -1.574 6.836 2.359 1.00 0.07 H new ATOM 0 HD13 LEU A 349 -0.066 7.720 2.695 1.00 0.07 H new ATOM 0 HD21 LEU A 349 -0.005 7.102 5.695 1.00 0.08 H new ATOM 0 HD22 LEU A 349 0.287 8.704 4.977 1.00 0.08 H new ATOM 0 HD23 LEU A 349 -0.978 8.499 6.212 1.00 0.08 H new ATOM 188 N GLU A 350 -1.318 11.897 3.544 1.00 0.13 N ATOM 189 CA GLU A 350 -1.573 13.310 3.678 1.00 0.15 C ATOM 190 C GLU A 350 -1.241 13.969 2.384 1.00 0.14 C ATOM 191 O GLU A 350 -1.910 14.877 1.904 1.00 0.17 O ATOM 192 CB GLU A 350 -0.645 13.825 4.737 1.00 0.18 C ATOM 193 CG GLU A 350 -0.522 12.880 5.868 1.00 0.19 C ATOM 194 CD GLU A 350 -0.685 13.519 7.233 1.00 0.28 C ATOM 195 OE1 GLU A 350 -1.806 13.969 7.554 1.00 0.60 O1- ATOM 196 OE2 GLU A 350 0.311 13.596 7.984 1.00 0.57 O ATOM 0 H GLU A 350 -0.624 11.554 4.209 1.00 0.13 H new ATOM 0 HA GLU A 350 -2.613 13.508 3.939 1.00 0.15 H new ATOM 0 HB2 GLU A 350 0.339 14.002 4.303 1.00 0.18 H new ATOM 0 HB3 GLU A 350 -1.009 14.785 5.104 1.00 0.18 H new ATOM 0 HG2 GLU A 350 -1.271 12.096 5.755 1.00 0.19 H new ATOM 0 HG3 GLU A 350 0.454 12.398 5.819 1.00 0.19 H new ATOM 203 N ASN A 351 -0.118 13.510 1.895 1.00 0.12 N ATOM 204 CA ASN A 351 0.493 14.036 0.681 1.00 0.11 C ATOM 205 C ASN A 351 0.251 13.106 -0.487 1.00 0.09 C ATOM 206 O ASN A 351 0.814 13.272 -1.570 1.00 0.10 O ATOM 207 CB ASN A 351 1.982 14.222 0.922 1.00 0.13 C ATOM 208 CG ASN A 351 2.224 15.295 1.943 1.00 0.17 C ATOM 209 OD1 ASN A 351 2.491 16.449 1.607 1.00 0.20 O ATOM 210 ND2 ASN A 351 2.093 14.930 3.200 1.00 0.18 N ATOM 0 H ASN A 351 0.411 12.752 2.326 1.00 0.12 H new ATOM 0 HA ASN A 351 0.042 14.997 0.434 1.00 0.11 H new ATOM 0 HB2 ASN A 351 2.420 13.284 1.262 1.00 0.13 H new ATOM 0 HB3 ASN A 351 2.477 14.485 -0.013 1.00 0.13 H new ATOM 0 HD21 ASN A 351 2.213 15.616 3.945 1.00 0.18 H new ATOM 0 HD22 ASN A 351 1.871 13.961 3.429 1.00 0.18 H new ATOM 217 N GLN A 352 -0.596 12.121 -0.198 1.00 0.08 N ATOM 218 CA GLN A 352 -0.969 11.033 -1.099 1.00 0.08 C ATOM 219 C GLN A 352 0.151 10.607 -2.033 1.00 0.07 C ATOM 220 O GLN A 352 0.012 10.644 -3.254 1.00 0.08 O ATOM 221 CB GLN A 352 -2.231 11.344 -1.888 1.00 0.12 C ATOM 222 CG GLN A 352 -3.425 11.630 -1.010 1.00 0.21 C ATOM 223 CD GLN A 352 -3.579 13.105 -0.681 1.00 1.28 C ATOM 224 OE1 GLN A 352 -3.232 13.977 -1.475 1.00 2.15 O ATOM 225 NE2 GLN A 352 -4.077 13.392 0.510 1.00 1.89 N ATOM 0 H GLN A 352 -1.060 12.056 0.708 1.00 0.08 H new ATOM 0 HA GLN A 352 -1.175 10.186 -0.444 1.00 0.08 H new ATOM 0 HB2 GLN A 352 -2.047 12.204 -2.532 1.00 0.12 H new ATOM 0 HB3 GLN A 352 -2.461 10.501 -2.540 1.00 0.12 H new ATOM 0 HG2 GLN A 352 -4.328 11.278 -1.508 1.00 0.21 H new ATOM 0 HG3 GLN A 352 -3.331 11.064 -0.083 1.00 0.21 H new ATOM 0 HE21 GLN A 352 -4.354 12.640 1.142 1.00 1.89 H new ATOM 0 HE22 GLN A 352 -4.184 14.365 0.797 1.00 1.89 H new ATOM 234 N HIS A 353 1.236 10.147 -1.454 1.00 0.05 N ATOM 235 CA HIS A 353 2.365 9.690 -2.229 1.00 0.05 C ATOM 236 C HIS A 353 2.996 8.488 -1.559 1.00 0.06 C ATOM 237 O HIS A 353 3.128 8.441 -0.350 1.00 0.07 O ATOM 238 CB HIS A 353 3.368 10.824 -2.400 1.00 0.06 C ATOM 239 CG HIS A 353 4.403 10.536 -3.430 1.00 0.06 C ATOM 240 ND1 HIS A 353 4.299 10.884 -4.763 1.00 0.09 N ATOM 241 CD2 HIS A 353 5.550 9.871 -3.309 1.00 0.06 C ATOM 242 CE1 HIS A 353 5.357 10.424 -5.411 1.00 0.09 C ATOM 243 NE2 HIS A 353 6.137 9.812 -4.539 1.00 0.07 N ATOM 0 H HIS A 353 1.360 10.079 -0.444 1.00 0.05 H new ATOM 0 HA HIS A 353 2.030 9.385 -3.220 1.00 0.05 H new ATOM 0 HB2 HIS A 353 2.835 11.735 -2.673 1.00 0.06 H new ATOM 0 HB3 HIS A 353 3.857 11.016 -1.445 1.00 0.06 H new ATOM 0 HD1 HIS A 353 3.531 11.410 -5.180 1.00 0.09 H new ATOM 0 HD2 HIS A 353 5.947 9.451 -2.396 1.00 0.06 H new ATOM 0 HE1 HIS A 353 5.549 10.531 -6.468 1.00 0.09 H new ATOM 252 N MET A 354 3.342 7.500 -2.355 1.00 0.05 N ATOM 253 CA MET A 354 3.936 6.294 -1.858 1.00 0.06 C ATOM 254 C MET A 354 5.366 6.163 -2.365 1.00 0.05 C ATOM 255 O MET A 354 5.724 6.719 -3.402 1.00 0.06 O ATOM 256 CB MET A 354 3.131 5.084 -2.279 1.00 0.07 C ATOM 257 CG MET A 354 3.458 3.844 -1.479 1.00 0.07 C ATOM 258 SD MET A 354 3.742 2.400 -2.506 1.00 0.06 S ATOM 259 CE MET A 354 4.973 3.051 -3.626 1.00 0.05 C ATOM 0 H MET A 354 3.216 7.518 -3.367 1.00 0.05 H new ATOM 0 HA MET A 354 3.944 6.344 -0.769 1.00 0.06 H new ATOM 0 HB2 MET A 354 2.069 5.307 -2.173 1.00 0.07 H new ATOM 0 HB3 MET A 354 3.311 4.885 -3.335 1.00 0.07 H new ATOM 0 HG2 MET A 354 4.345 4.032 -0.874 1.00 0.07 H new ATOM 0 HG3 MET A 354 2.640 3.637 -0.789 1.00 0.07 H new ATOM 0 HE1 MET A 354 4.645 2.900 -4.655 1.00 0.05 H new ATOM 0 HE2 MET A 354 5.107 4.117 -3.440 1.00 0.05 H new ATOM 0 HE3 MET A 354 5.919 2.534 -3.467 1.00 0.05 H new ATOM 269 N TRP A 355 6.154 5.409 -1.640 1.00 0.05 N ATOM 270 CA TRP A 355 7.569 5.241 -1.904 1.00 0.07 C ATOM 271 C TRP A 355 8.006 3.830 -1.641 1.00 0.07 C ATOM 272 O TRP A 355 7.415 3.129 -0.835 1.00 0.11 O ATOM 273 CB TRP A 355 8.417 6.101 -0.968 1.00 0.08 C ATOM 274 CG TRP A 355 8.310 7.548 -1.193 1.00 0.07 C ATOM 275 CD1 TRP A 355 9.036 8.299 -2.032 1.00 0.06 C ATOM 276 CD2 TRP A 355 7.429 8.413 -0.524 1.00 0.07 C ATOM 277 NE1 TRP A 355 8.641 9.604 -1.959 1.00 0.05 N ATOM 278 CE2 TRP A 355 7.641 9.700 -1.010 1.00 0.06 C ATOM 279 CE3 TRP A 355 6.475 8.205 0.437 1.00 0.08 C ATOM 280 CZ2 TRP A 355 6.896 10.780 -0.528 1.00 0.07 C ATOM 281 CZ3 TRP A 355 5.764 9.237 0.898 1.00 0.09 C ATOM 282 CH2 TRP A 355 5.965 10.522 0.425 1.00 0.09 C ATOM 0 H TRP A 355 5.826 4.881 -0.831 1.00 0.05 H new ATOM 0 HA TRP A 355 7.709 5.523 -2.948 1.00 0.07 H new ATOM 0 HB2 TRP A 355 8.129 5.886 0.061 1.00 0.08 H new ATOM 0 HB3 TRP A 355 9.461 5.807 -1.075 1.00 0.08 H new ATOM 0 HD1 TRP A 355 9.821 7.926 -2.674 1.00 0.06 H new ATOM 0 HE1 TRP A 355 9.019 10.375 -2.510 1.00 0.05 H new ATOM 0 HE3 TRP A 355 6.299 7.211 0.820 1.00 0.08 H new ATOM 0 HZ2 TRP A 355 7.055 11.781 -0.900 1.00 0.07 H new ATOM 0 HZ3 TRP A 355 5.015 9.065 1.657 1.00 0.09 H new ATOM 0 HH2 TRP A 355 5.371 11.333 0.821 1.00 0.09 H new ATOM 293 N TYR A 356 9.053 3.438 -2.309 1.00 0.04 N ATOM 294 CA TYR A 356 9.929 2.436 -1.780 1.00 0.04 C ATOM 295 C TYR A 356 11.197 3.124 -1.437 1.00 0.04 C ATOM 296 O TYR A 356 11.564 4.100 -2.054 1.00 0.05 O ATOM 297 CB TYR A 356 10.260 1.374 -2.761 1.00 0.03 C ATOM 298 CG TYR A 356 11.163 0.296 -2.185 1.00 0.03 C ATOM 299 CD1 TYR A 356 10.644 -0.716 -1.414 1.00 0.05 C ATOM 300 CD2 TYR A 356 12.515 0.264 -2.458 1.00 0.05 C ATOM 301 CE1 TYR A 356 11.430 -1.731 -0.952 1.00 0.11 C ATOM 302 CE2 TYR A 356 13.320 -0.747 -1.979 1.00 0.10 C ATOM 303 CZ TYR A 356 12.763 -1.749 -1.234 1.00 0.05 C ATOM 304 OH TYR A 356 13.537 -2.796 -0.804 1.00 0.26 O ATOM 0 H TYR A 356 9.320 3.800 -3.225 1.00 0.04 H new ATOM 0 HA TYR A 356 9.434 1.962 -0.932 1.00 0.04 H new ATOM 0 HB2 TYR A 356 9.338 0.916 -3.117 1.00 0.03 H new ATOM 0 HB3 TYR A 356 10.747 1.825 -3.626 1.00 0.03 H new ATOM 0 HD1 TYR A 356 9.592 -0.708 -1.169 1.00 0.05 H new ATOM 0 HD2 TYR A 356 12.952 1.047 -3.060 1.00 0.05 H new ATOM 0 HE1 TYR A 356 10.994 -2.523 -0.361 1.00 0.11 H new ATOM 0 HE2 TYR A 356 14.379 -0.748 -2.190 1.00 0.10 H new ATOM 0 HH TYR A 356 13.156 -3.168 0.019 1.00 0.26 H new ATOM 314 N TYR A 357 11.868 2.576 -0.509 1.00 0.05 N ATOM 315 CA TYR A 357 13.107 3.131 -0.044 1.00 0.06 C ATOM 316 C TYR A 357 14.173 2.088 -0.069 1.00 0.06 C ATOM 317 O TYR A 357 14.075 1.074 0.603 1.00 0.07 O ATOM 318 CB TYR A 357 13.003 3.687 1.366 1.00 0.07 C ATOM 319 CG TYR A 357 12.622 5.135 1.435 1.00 0.07 C ATOM 320 CD1 TYR A 357 11.304 5.537 1.283 1.00 0.08 C ATOM 321 CD2 TYR A 357 13.592 6.101 1.660 1.00 0.10 C ATOM 322 CE1 TYR A 357 10.956 6.872 1.353 1.00 0.10 C ATOM 323 CE2 TYR A 357 13.258 7.432 1.730 1.00 0.11 C ATOM 324 CZ TYR A 357 11.936 7.816 1.577 1.00 0.11 C ATOM 325 OH TYR A 357 11.584 9.144 1.661 1.00 0.14 O ATOM 0 H TYR A 357 11.586 1.719 -0.033 1.00 0.05 H new ATOM 0 HA TYR A 357 13.355 3.953 -0.715 1.00 0.06 H new ATOM 0 HB2 TYR A 357 12.267 3.104 1.920 1.00 0.07 H new ATOM 0 HB3 TYR A 357 13.961 3.552 1.868 1.00 0.07 H new ATOM 0 HD1 TYR A 357 10.538 4.796 1.107 1.00 0.08 H new ATOM 0 HD2 TYR A 357 14.623 5.803 1.782 1.00 0.10 H new ATOM 0 HE1 TYR A 357 9.926 7.174 1.233 1.00 0.10 H new ATOM 0 HE2 TYR A 357 14.022 8.175 1.903 1.00 0.11 H new ATOM 0 HH TYR A 357 10.720 9.225 2.116 1.00 0.14 H new ATOM 335 N LYS A 358 15.160 2.335 -0.868 1.00 0.07 N ATOM 336 CA LYS A 358 16.370 1.573 -0.837 1.00 0.09 C ATOM 337 C LYS A 358 17.458 2.545 -0.480 1.00 0.13 C ATOM 338 O LYS A 358 17.443 3.661 -0.930 1.00 0.25 O ATOM 339 CB LYS A 358 16.674 0.942 -2.179 1.00 0.11 C ATOM 340 CG LYS A 358 17.676 -0.161 -2.076 1.00 0.12 C ATOM 341 CD LYS A 358 17.047 -1.304 -1.388 1.00 0.09 C ATOM 342 CE LYS A 358 16.475 -2.232 -2.401 1.00 0.09 C ATOM 343 NZ LYS A 358 15.987 -3.499 -1.798 1.00 0.10 N1+ ATOM 0 H LYS A 358 15.151 3.077 -1.567 1.00 0.07 H new ATOM 0 HA LYS A 358 16.285 0.757 -0.120 1.00 0.09 H new ATOM 0 HB2 LYS A 358 15.752 0.553 -2.611 1.00 0.11 H new ATOM 0 HB3 LYS A 358 17.048 1.706 -2.860 1.00 0.11 H new ATOM 0 HG2 LYS A 358 18.016 -0.457 -3.068 1.00 0.12 H new ATOM 0 HG3 LYS A 358 18.554 0.176 -1.525 1.00 0.12 H new ATOM 0 HD2 LYS A 358 17.783 -1.825 -0.775 1.00 0.09 H new ATOM 0 HD3 LYS A 358 16.264 -0.953 -0.716 1.00 0.09 H new ATOM 0 HE2 LYS A 358 15.652 -1.738 -2.918 1.00 0.09 H new ATOM 0 HE3 LYS A 358 17.233 -2.458 -3.151 1.00 0.09 H new ATOM 0 HZ1 LYS A 358 15.676 -4.145 -2.552 1.00 0.10 H new ATOM 0 HZ2 LYS A 358 16.755 -3.944 -1.255 1.00 0.10 H new ATOM 0 HZ3 LYS A 358 15.188 -3.297 -1.164 1.00 0.10 H new ATOM 357 N ASP A 359 18.378 2.117 0.349 1.00 0.13 N ATOM 358 CA ASP A 359 19.583 2.889 0.641 1.00 0.16 C ATOM 359 C ASP A 359 19.311 4.178 1.384 1.00 0.16 C ATOM 360 O ASP A 359 20.172 5.053 1.454 1.00 0.28 O ATOM 361 CB ASP A 359 20.332 3.231 -0.624 1.00 0.19 C ATOM 362 CG ASP A 359 21.780 2.796 -0.579 1.00 0.28 C ATOM 363 OD1 ASP A 359 22.059 1.611 -0.864 1.00 0.43 O ATOM 364 OD2 ASP A 359 22.647 3.637 -0.262 1.00 0.39 O1- ATOM 0 H ASP A 359 18.323 1.227 0.844 1.00 0.13 H new ATOM 0 HA ASP A 359 20.181 2.242 1.283 1.00 0.16 H new ATOM 0 HB2 ASP A 359 19.840 2.756 -1.473 1.00 0.19 H new ATOM 0 HB3 ASP A 359 20.285 4.307 -0.790 1.00 0.19 H new ATOM 369 N GLY A 360 18.126 4.265 1.970 1.00 0.15 N ATOM 370 CA GLY A 360 17.701 5.491 2.627 1.00 0.15 C ATOM 371 C GLY A 360 17.244 6.530 1.673 1.00 0.14 C ATOM 372 O GLY A 360 16.948 7.667 2.038 1.00 0.18 O ATOM 0 H GLY A 360 17.446 3.506 2.004 1.00 0.15 H new ATOM 0 HA2 GLY A 360 16.893 5.263 3.322 1.00 0.15 H new ATOM 0 HA3 GLY A 360 18.528 5.886 3.217 1.00 0.15 H new ATOM 376 N LYS A 361 17.151 6.105 0.463 1.00 0.13 N ATOM 377 CA LYS A 361 16.695 6.912 -0.617 1.00 0.13 C ATOM 378 C LYS A 361 15.590 6.111 -1.244 1.00 0.09 C ATOM 379 O LYS A 361 15.295 5.021 -0.772 1.00 0.12 O ATOM 380 CB LYS A 361 17.867 7.108 -1.552 1.00 0.16 C ATOM 381 CG LYS A 361 18.247 5.845 -2.284 1.00 0.17 C ATOM 382 CD LYS A 361 19.172 6.096 -3.432 1.00 0.23 C ATOM 383 CE LYS A 361 18.493 6.949 -4.479 1.00 0.26 C ATOM 384 NZ LYS A 361 19.096 6.772 -5.827 1.00 0.37 N1+ ATOM 0 H LYS A 361 17.398 5.155 0.187 1.00 0.13 H new ATOM 0 HA LYS A 361 16.329 7.899 -0.335 1.00 0.13 H new ATOM 0 HB2 LYS A 361 17.622 7.883 -2.278 1.00 0.16 H new ATOM 0 HB3 LYS A 361 18.725 7.465 -0.982 1.00 0.16 H new ATOM 0 HG2 LYS A 361 18.721 5.155 -1.586 1.00 0.17 H new ATOM 0 HG3 LYS A 361 17.344 5.358 -2.651 1.00 0.17 H new ATOM 0 HD2 LYS A 361 20.075 6.594 -3.078 1.00 0.23 H new ATOM 0 HD3 LYS A 361 19.482 5.148 -3.871 1.00 0.23 H new ATOM 0 HE2 LYS A 361 17.434 6.695 -4.521 1.00 0.26 H new ATOM 0 HE3 LYS A 361 18.558 7.998 -4.189 1.00 0.26 H new ATOM 0 HZ1 LYS A 361 18.598 7.376 -6.512 1.00 0.37 H new ATOM 0 HZ2 LYS A 361 20.101 7.039 -5.796 1.00 0.37 H new ATOM 0 HZ3 LYS A 361 19.011 5.777 -6.117 1.00 0.37 H new ATOM 398 N VAL A 362 14.924 6.609 -2.241 1.00 0.09 N ATOM 399 CA VAL A 362 13.869 5.803 -2.787 1.00 0.07 C ATOM 400 C VAL A 362 14.169 5.145 -4.075 1.00 0.07 C ATOM 401 O VAL A 362 14.997 5.573 -4.878 1.00 0.10 O ATOM 402 CB VAL A 362 12.547 6.509 -2.917 1.00 0.07 C ATOM 403 CG1 VAL A 362 12.164 7.065 -1.597 1.00 0.07 C ATOM 404 CG2 VAL A 362 12.555 7.561 -3.959 1.00 0.09 C ATOM 0 H VAL A 362 15.077 7.519 -2.676 1.00 0.09 H new ATOM 0 HA VAL A 362 13.791 5.029 -2.023 1.00 0.07 H new ATOM 0 HB VAL A 362 11.805 5.779 -3.241 1.00 0.07 H new ATOM 0 HG11 VAL A 362 11.206 7.579 -1.683 1.00 0.07 H new ATOM 0 HG12 VAL A 362 12.078 6.255 -0.872 1.00 0.07 H new ATOM 0 HG13 VAL A 362 12.926 7.770 -1.264 1.00 0.07 H new ATOM 0 HG21 VAL A 362 11.574 8.034 -4.006 1.00 0.09 H new ATOM 0 HG22 VAL A 362 13.308 8.310 -3.714 1.00 0.09 H new ATOM 0 HG23 VAL A 362 12.789 7.114 -4.925 1.00 0.09 H new ATOM 414 N ALA A 363 13.402 4.100 -4.246 1.00 0.05 N ATOM 415 CA ALA A 363 13.463 3.270 -5.381 1.00 0.05 C ATOM 416 C ALA A 363 12.251 3.580 -6.185 1.00 0.05 C ATOM 417 O ALA A 363 12.209 3.473 -7.409 1.00 0.07 O ATOM 418 CB ALA A 363 13.450 1.821 -4.944 1.00 0.05 C ATOM 0 H ALA A 363 12.700 3.809 -3.566 1.00 0.05 H new ATOM 0 HA ALA A 363 14.370 3.437 -5.961 1.00 0.05 H new ATOM 0 HB1 ALA A 363 13.497 1.176 -5.821 1.00 0.05 H new ATOM 0 HB2 ALA A 363 14.310 1.626 -4.304 1.00 0.05 H new ATOM 0 HB3 ALA A 363 12.533 1.616 -4.392 1.00 0.05 H new ATOM 424 N LEU A 364 11.268 3.995 -5.427 1.00 0.04 N ATOM 425 CA LEU A 364 9.969 4.265 -5.924 1.00 0.04 C ATOM 426 C LEU A 364 9.448 5.556 -5.431 1.00 0.05 C ATOM 427 O LEU A 364 9.652 5.952 -4.287 1.00 0.06 O ATOM 428 CB LEU A 364 9.057 3.161 -5.483 1.00 0.04 C ATOM 429 CG LEU A 364 8.372 2.461 -6.603 1.00 0.05 C ATOM 430 CD1 LEU A 364 9.384 2.120 -7.649 1.00 0.05 C ATOM 431 CD2 LEU A 364 7.735 1.223 -6.086 1.00 0.05 C ATOM 0 H LEU A 364 11.365 4.154 -4.424 1.00 0.04 H new ATOM 0 HA LEU A 364 10.019 4.324 -7.011 1.00 0.04 H new ATOM 0 HB2 LEU A 364 9.633 2.434 -4.911 1.00 0.04 H new ATOM 0 HB3 LEU A 364 8.305 3.572 -4.810 1.00 0.04 H new ATOM 0 HG LEU A 364 7.604 3.101 -7.038 1.00 0.05 H new ATOM 0 HD11 LEU A 364 8.894 1.606 -8.476 1.00 0.05 H new ATOM 0 HD12 LEU A 364 9.851 3.034 -8.016 1.00 0.05 H new ATOM 0 HD13 LEU A 364 10.147 1.471 -7.219 1.00 0.05 H new ATOM 0 HD21 LEU A 364 7.231 0.705 -6.902 1.00 0.05 H new ATOM 0 HD22 LEU A 364 8.498 0.572 -5.659 1.00 0.05 H new ATOM 0 HD23 LEU A 364 7.008 1.482 -5.317 1.00 0.05 H new ATOM 443 N GLU A 365 8.747 6.175 -6.318 1.00 0.05 N ATOM 444 CA GLU A 365 8.069 7.375 -6.045 1.00 0.06 C ATOM 445 C GLU A 365 6.781 7.236 -6.750 1.00 0.05 C ATOM 446 O GLU A 365 6.754 7.123 -7.975 1.00 0.07 O ATOM 447 CB GLU A 365 8.859 8.510 -6.632 1.00 0.10 C ATOM 448 CG GLU A 365 9.037 9.694 -5.708 1.00 0.16 C ATOM 449 CD GLU A 365 10.114 10.640 -6.185 1.00 0.27 C ATOM 450 OE1 GLU A 365 9.826 11.480 -7.061 1.00 0.45 O1- ATOM 451 OE2 GLU A 365 11.254 10.540 -5.687 1.00 0.48 O ATOM 0 H GLU A 365 8.633 5.844 -7.276 1.00 0.05 H new ATOM 0 HA GLU A 365 7.934 7.568 -4.981 1.00 0.06 H new ATOM 0 HB2 GLU A 365 9.843 8.140 -6.921 1.00 0.10 H new ATOM 0 HB3 GLU A 365 8.365 8.847 -7.543 1.00 0.10 H new ATOM 0 HG2 GLU A 365 8.093 10.233 -5.627 1.00 0.16 H new ATOM 0 HG3 GLU A 365 9.287 9.337 -4.709 1.00 0.16 H new ATOM 458 N THR A 366 5.717 7.241 -6.031 1.00 0.05 N ATOM 459 CA THR A 366 4.489 7.112 -6.684 1.00 0.06 C ATOM 460 C THR A 366 3.414 7.823 -5.931 1.00 0.06 C ATOM 461 O THR A 366 3.555 8.125 -4.767 1.00 0.07 O ATOM 462 CB THR A 366 4.165 5.630 -6.867 1.00 0.06 C ATOM 463 OG1 THR A 366 3.566 5.410 -8.123 1.00 0.07 O ATOM 464 CG2 THR A 366 3.232 5.146 -5.795 1.00 0.07 C ATOM 0 H THR A 366 5.681 7.331 -5.016 1.00 0.05 H new ATOM 0 HA THR A 366 4.550 7.576 -7.669 1.00 0.06 H new ATOM 0 HB THR A 366 5.103 5.078 -6.802 1.00 0.06 H new ATOM 0 HG1 THR A 366 4.031 5.940 -8.804 1.00 0.07 H new ATOM 0 HG21 THR A 366 3.018 4.088 -5.949 1.00 0.07 H new ATOM 0 HG22 THR A 366 3.697 5.284 -4.819 1.00 0.07 H new ATOM 0 HG23 THR A 366 2.303 5.714 -5.838 1.00 0.07 H new ATOM 472 N ASP A 367 2.357 8.095 -6.602 1.00 0.07 N ATOM 473 CA ASP A 367 1.250 8.774 -6.002 1.00 0.09 C ATOM 474 C ASP A 367 0.198 7.751 -5.646 1.00 0.09 C ATOM 475 O ASP A 367 0.021 6.775 -6.362 1.00 0.11 O ATOM 476 CB ASP A 367 0.741 9.804 -6.988 1.00 0.13 C ATOM 477 CG ASP A 367 1.287 11.190 -6.711 1.00 0.98 C ATOM 478 OD1 ASP A 367 2.522 11.376 -6.736 1.00 1.65 O ATOM 479 OD2 ASP A 367 0.478 12.107 -6.456 1.00 1.80 O1- ATOM 0 H ASP A 367 2.226 7.856 -7.585 1.00 0.07 H new ATOM 0 HA ASP A 367 1.534 9.292 -5.086 1.00 0.09 H new ATOM 0 HB2 ASP A 367 1.018 9.503 -7.998 1.00 0.13 H new ATOM 0 HB3 ASP A 367 -0.348 9.832 -6.950 1.00 0.13 H new ATOM 484 N ILE A 368 -0.447 7.938 -4.510 1.00 0.09 N ATOM 485 CA ILE A 368 -1.376 6.945 -3.994 1.00 0.08 C ATOM 486 C ILE A 368 -2.602 7.571 -3.429 1.00 0.07 C ATOM 487 O ILE A 368 -2.818 8.776 -3.496 1.00 0.08 O ATOM 488 CB ILE A 368 -0.769 6.096 -2.880 1.00 0.09 C ATOM 489 CG1 ILE A 368 0.012 6.956 -1.928 1.00 0.08 C ATOM 490 CG2 ILE A 368 0.094 5.022 -3.460 1.00 0.12 C ATOM 491 CD1 ILE A 368 -0.825 7.589 -0.833 1.00 0.08 C ATOM 0 H ILE A 368 -0.346 8.768 -3.925 1.00 0.09 H new ATOM 0 HA ILE A 368 -1.618 6.321 -4.854 1.00 0.08 H new ATOM 0 HB ILE A 368 -1.576 5.622 -2.322 1.00 0.09 H new ATOM 0 HG12 ILE A 368 0.794 6.352 -1.469 1.00 0.08 H new ATOM 0 HG13 ILE A 368 0.509 7.745 -2.493 1.00 0.08 H new ATOM 0 HG21 ILE A 368 0.521 4.424 -2.655 1.00 0.12 H new ATOM 0 HG22 ILE A 368 -0.506 4.383 -4.108 1.00 0.12 H new ATOM 0 HG23 ILE A 368 0.898 5.475 -4.041 1.00 0.12 H new ATOM 0 HD11 ILE A 368 -0.186 8.193 -0.189 1.00 0.08 H new ATOM 0 HD12 ILE A 368 -1.591 8.222 -1.281 1.00 0.08 H new ATOM 0 HD13 ILE A 368 -1.301 6.807 -0.241 1.00 0.08 H new ATOM 503 N VAL A 369 -3.374 6.713 -2.831 1.00 0.07 N ATOM 504 CA VAL A 369 -4.537 7.100 -2.100 1.00 0.08 C ATOM 505 C VAL A 369 -4.781 6.066 -1.015 1.00 0.09 C ATOM 506 O VAL A 369 -4.882 4.867 -1.274 1.00 0.10 O ATOM 507 CB VAL A 369 -5.778 7.313 -3.018 1.00 0.08 C ATOM 508 CG1 VAL A 369 -5.472 6.971 -4.484 1.00 0.10 C ATOM 509 CG2 VAL A 369 -6.989 6.539 -2.512 1.00 0.09 C ATOM 0 H VAL A 369 -3.207 5.707 -2.840 1.00 0.07 H new ATOM 0 HA VAL A 369 -4.367 8.073 -1.639 1.00 0.08 H new ATOM 0 HB VAL A 369 -6.024 8.374 -2.977 1.00 0.08 H new ATOM 0 HG11 VAL A 369 -6.364 7.133 -5.089 1.00 0.10 H new ATOM 0 HG12 VAL A 369 -4.666 7.610 -4.846 1.00 0.10 H new ATOM 0 HG13 VAL A 369 -5.168 5.927 -4.558 1.00 0.10 H new ATOM 0 HG21 VAL A 369 -7.835 6.712 -3.177 1.00 0.09 H new ATOM 0 HG22 VAL A 369 -6.757 5.474 -2.489 1.00 0.09 H new ATOM 0 HG23 VAL A 369 -7.243 6.877 -1.507 1.00 0.09 H new ATOM 519 N SER A 370 -4.759 6.555 0.202 1.00 0.09 N ATOM 520 CA SER A 370 -4.964 5.739 1.385 1.00 0.08 C ATOM 521 C SER A 370 -6.449 5.486 1.603 1.00 0.08 C ATOM 522 O SER A 370 -7.249 5.729 0.701 1.00 0.10 O ATOM 523 CB SER A 370 -4.294 6.344 2.620 1.00 0.13 C ATOM 524 OG SER A 370 -3.571 5.358 3.302 1.00 1.26 O ATOM 0 H SER A 370 -4.597 7.541 0.406 1.00 0.09 H new ATOM 0 HA SER A 370 -4.481 4.776 1.220 1.00 0.08 H new ATOM 0 HB2 SER A 370 -3.629 7.155 2.323 1.00 0.13 H new ATOM 0 HB3 SER A 370 -5.048 6.775 3.279 1.00 0.13 H new ATOM 0 HG SER A 370 -4.141 4.574 3.444 1.00 1.26 H new ATOM 530 N GLY A 371 -6.836 4.970 2.752 1.00 0.09 N ATOM 531 CA GLY A 371 -8.225 4.615 2.915 1.00 0.12 C ATOM 532 C GLY A 371 -9.076 5.800 3.332 1.00 0.12 C ATOM 533 O GLY A 371 -8.561 6.868 3.678 1.00 0.14 O ATOM 0 H GLY A 371 -6.234 4.793 3.556 1.00 0.09 H new ATOM 0 HA2 GLY A 371 -8.606 4.208 1.978 1.00 0.12 H new ATOM 0 HA3 GLY A 371 -8.311 3.827 3.663 1.00 0.12 H new ATOM 537 N LYS A 372 -10.383 5.603 3.264 1.00 0.16 N ATOM 538 CA LYS A 372 -11.354 6.692 3.324 1.00 0.16 C ATOM 539 C LYS A 372 -11.493 7.261 4.740 1.00 0.18 C ATOM 540 O LYS A 372 -11.181 6.610 5.723 1.00 0.21 O ATOM 541 CB LYS A 372 -12.696 6.160 2.831 1.00 0.19 C ATOM 542 CG LYS A 372 -13.409 5.304 3.846 1.00 0.27 C ATOM 543 CD LYS A 372 -13.980 4.079 3.195 1.00 0.47 C ATOM 544 CE LYS A 372 -15.039 4.476 2.208 1.00 0.81 C ATOM 545 NZ LYS A 372 -15.522 3.334 1.395 1.00 0.79 N1+ ATOM 0 H LYS A 372 -10.806 4.680 3.165 1.00 0.16 H new ATOM 0 HA LYS A 372 -11.009 7.510 2.691 1.00 0.16 H new ATOM 0 HB2 LYS A 372 -13.335 7.001 2.562 1.00 0.19 H new ATOM 0 HB3 LYS A 372 -12.537 5.578 1.923 1.00 0.19 H new ATOM 0 HG2 LYS A 372 -12.716 5.013 4.636 1.00 0.27 H new ATOM 0 HG3 LYS A 372 -14.207 5.878 4.317 1.00 0.27 H new ATOM 0 HD2 LYS A 372 -13.190 3.522 2.691 1.00 0.47 H new ATOM 0 HD3 LYS A 372 -14.404 3.418 3.951 1.00 0.47 H new ATOM 0 HE2 LYS A 372 -15.880 4.918 2.742 1.00 0.81 H new ATOM 0 HE3 LYS A 372 -14.642 5.246 1.546 1.00 0.81 H new ATOM 0 HZ1 LYS A 372 -16.486 3.531 1.058 1.00 0.79 H new ATOM 0 HZ2 LYS A 372 -14.891 3.197 0.579 1.00 0.79 H new ATOM 0 HZ3 LYS A 372 -15.528 2.472 1.976 1.00 0.79 H new ATOM 559 N PRO A 373 -11.987 8.521 4.818 1.00 0.19 N ATOM 560 CA PRO A 373 -12.062 9.332 6.048 1.00 0.21 C ATOM 561 C PRO A 373 -12.846 8.681 7.139 1.00 0.24 C ATOM 562 O PRO A 373 -12.641 8.938 8.323 1.00 0.28 O ATOM 563 CB PRO A 373 -12.865 10.535 5.600 1.00 0.23 C ATOM 564 CG PRO A 373 -12.555 10.670 4.178 1.00 0.21 C ATOM 565 CD PRO A 373 -12.526 9.269 3.676 1.00 0.19 C ATOM 0 HA PRO A 373 -11.064 9.522 6.444 1.00 0.21 H new ATOM 0 HB2 PRO A 373 -13.932 10.383 5.761 1.00 0.23 H new ATOM 0 HB3 PRO A 373 -12.583 11.430 6.155 1.00 0.23 H new ATOM 0 HG2 PRO A 373 -13.309 11.263 3.661 1.00 0.21 H new ATOM 0 HG3 PRO A 373 -11.598 11.168 4.025 1.00 0.21 H new ATOM 0 HD2 PRO A 373 -13.520 8.919 3.397 1.00 0.19 H new ATOM 0 HD3 PRO A 373 -11.894 9.169 2.794 1.00 0.19 H new ATOM 573 N THR A 374 -13.806 7.909 6.698 1.00 0.25 N ATOM 574 CA THR A 374 -14.725 7.244 7.588 1.00 0.28 C ATOM 575 C THR A 374 -13.985 6.176 8.366 1.00 0.30 C ATOM 576 O THR A 374 -14.278 5.895 9.529 1.00 0.33 O ATOM 577 CB THR A 374 -15.884 6.599 6.804 1.00 0.29 C ATOM 578 OG1 THR A 374 -15.435 5.444 6.090 1.00 0.29 O ATOM 579 CG2 THR A 374 -16.448 7.586 5.812 1.00 0.29 C ATOM 0 H THR A 374 -13.973 7.723 5.709 1.00 0.25 H new ATOM 0 HA THR A 374 -15.142 7.984 8.271 1.00 0.28 H new ATOM 0 HB THR A 374 -16.650 6.305 7.521 1.00 0.29 H new ATOM 0 HG1 THR A 374 -15.973 5.331 5.279 1.00 0.29 H new ATOM 0 HG21 THR A 374 -17.267 7.122 5.262 1.00 0.29 H new ATOM 0 HG22 THR A 374 -16.818 8.463 6.342 1.00 0.29 H new ATOM 0 HG23 THR A 374 -15.667 7.887 5.114 1.00 0.29 H new ATOM 587 N THR A 375 -13.017 5.594 7.686 1.00 0.28 N ATOM 588 CA THR A 375 -12.198 4.534 8.232 1.00 0.31 C ATOM 589 C THR A 375 -10.757 4.673 7.748 1.00 0.29 C ATOM 590 O THR A 375 -10.231 3.903 6.938 1.00 0.29 O ATOM 591 CB THR A 375 -12.809 3.190 7.890 1.00 0.34 C ATOM 592 OG1 THR A 375 -11.954 2.111 8.278 1.00 0.39 O ATOM 593 CG2 THR A 375 -13.143 3.136 6.404 1.00 0.31 C ATOM 0 H THR A 375 -12.776 5.848 6.728 1.00 0.28 H new ATOM 0 HA THR A 375 -12.168 4.608 9.319 1.00 0.31 H new ATOM 0 HB THR A 375 -13.734 3.075 8.456 1.00 0.34 H new ATOM 0 HG1 THR A 375 -12.377 1.258 8.045 1.00 0.39 H new ATOM 0 HG21 THR A 375 -13.582 2.167 6.165 1.00 0.31 H new ATOM 0 HG22 THR A 375 -13.854 3.926 6.162 1.00 0.31 H new ATOM 0 HG23 THR A 375 -12.233 3.276 5.821 1.00 0.31 H new ATOM 601 N PRO A 376 -10.149 5.707 8.284 1.00 0.28 N ATOM 602 CA PRO A 376 -8.836 6.231 7.918 1.00 0.26 C ATOM 603 C PRO A 376 -7.698 5.258 8.058 1.00 0.26 C ATOM 604 O PRO A 376 -7.770 4.289 8.814 1.00 0.38 O ATOM 605 CB PRO A 376 -8.675 7.376 8.910 1.00 0.29 C ATOM 606 CG PRO A 376 -10.045 7.782 9.180 1.00 0.32 C ATOM 607 CD PRO A 376 -10.753 6.496 9.330 1.00 0.32 C ATOM 0 HA PRO A 376 -8.797 6.501 6.863 1.00 0.26 H new ATOM 0 HB2 PRO A 376 -8.165 7.053 9.818 1.00 0.29 H new ATOM 0 HB3 PRO A 376 -8.089 8.193 8.489 1.00 0.29 H new ATOM 0 HG2 PRO A 376 -10.115 8.388 10.083 1.00 0.32 H new ATOM 0 HG3 PRO A 376 -10.457 8.376 8.365 1.00 0.32 H new ATOM 0 HD2 PRO A 376 -10.599 6.056 10.315 1.00 0.32 H new ATOM 0 HD3 PRO A 376 -11.829 6.603 9.193 1.00 0.32 H new ATOM 615 N THR A 377 -6.635 5.528 7.325 1.00 0.17 N ATOM 616 CA THR A 377 -5.439 4.761 7.477 1.00 0.21 C ATOM 617 C THR A 377 -4.602 5.373 8.611 1.00 0.17 C ATOM 618 O THR A 377 -4.642 6.583 8.849 1.00 0.21 O ATOM 619 CB THR A 377 -4.642 4.661 6.147 1.00 0.33 C ATOM 620 OG1 THR A 377 -4.257 3.303 5.913 1.00 0.82 O ATOM 621 CG2 THR A 377 -3.392 5.521 6.156 1.00 0.22 C ATOM 0 H THR A 377 -6.586 6.269 6.626 1.00 0.17 H new ATOM 0 HA THR A 377 -5.699 3.736 7.741 1.00 0.21 H new ATOM 0 HB THR A 377 -5.299 5.021 5.356 1.00 0.33 H new ATOM 0 HG1 THR A 377 -4.799 2.930 5.186 1.00 0.82 H new ATOM 0 HG21 THR A 377 -2.871 5.416 5.204 1.00 0.22 H new ATOM 0 HG22 THR A 377 -3.669 6.565 6.304 1.00 0.22 H new ATOM 0 HG23 THR A 377 -2.736 5.201 6.966 1.00 0.22 H new ATOM 629 N PRO A 378 -3.862 4.525 9.334 1.00 0.14 N ATOM 630 CA PRO A 378 -3.201 4.859 10.600 1.00 0.15 C ATOM 631 C PRO A 378 -1.928 5.649 10.395 1.00 0.13 C ATOM 632 O PRO A 378 -1.677 6.639 11.080 1.00 0.16 O ATOM 633 CB PRO A 378 -2.848 3.465 11.152 1.00 0.17 C ATOM 634 CG PRO A 378 -3.636 2.520 10.322 1.00 0.19 C ATOM 635 CD PRO A 378 -3.582 3.145 8.984 1.00 0.17 C ATOM 0 HA PRO A 378 -3.827 5.475 11.246 1.00 0.15 H new ATOM 0 HB2 PRO A 378 -1.779 3.266 11.072 1.00 0.17 H new ATOM 0 HB3 PRO A 378 -3.110 3.379 12.207 1.00 0.17 H new ATOM 0 HG2 PRO A 378 -3.200 1.521 10.321 1.00 0.19 H new ATOM 0 HG3 PRO A 378 -4.660 2.421 10.682 1.00 0.19 H new ATOM 0 HD2 PRO A 378 -2.609 3.026 8.508 1.00 0.17 H new ATOM 0 HD3 PRO A 378 -4.323 2.730 8.301 1.00 0.17 H new ATOM 643 N ALA A 379 -1.149 5.189 9.436 1.00 0.11 N ATOM 644 CA ALA A 379 0.183 5.692 9.165 1.00 0.10 C ATOM 645 C ALA A 379 1.136 5.559 10.342 1.00 0.10 C ATOM 646 O ALA A 379 0.812 5.800 11.507 1.00 0.13 O ATOM 647 CB ALA A 379 0.168 7.103 8.619 1.00 0.11 C ATOM 0 H ALA A 379 -1.432 4.436 8.808 1.00 0.11 H new ATOM 0 HA ALA A 379 0.577 5.043 8.383 1.00 0.10 H new ATOM 0 HB1 ALA A 379 1.190 7.432 8.433 1.00 0.11 H new ATOM 0 HB2 ALA A 379 -0.396 7.126 7.687 1.00 0.11 H new ATOM 0 HB3 ALA A 379 -0.301 7.769 9.344 1.00 0.11 H new ATOM 653 N GLY A 380 2.324 5.170 9.974 1.00 0.10 N ATOM 654 CA GLY A 380 3.397 4.919 10.890 1.00 0.11 C ATOM 655 C GLY A 380 4.320 3.888 10.304 1.00 0.12 C ATOM 656 O GLY A 380 4.916 4.112 9.255 1.00 0.20 O ATOM 0 H GLY A 380 2.579 5.015 8.999 1.00 0.10 H new ATOM 0 HA2 GLY A 380 3.943 5.841 11.090 1.00 0.11 H new ATOM 0 HA3 GLY A 380 3.002 4.570 11.844 1.00 0.11 H new ATOM 660 N VAL A 381 4.393 2.740 10.946 1.00 0.12 N ATOM 661 CA VAL A 381 5.180 1.639 10.440 1.00 0.13 C ATOM 662 C VAL A 381 4.334 0.364 10.384 1.00 0.15 C ATOM 663 O VAL A 381 3.744 -0.070 11.377 1.00 0.25 O ATOM 664 CB VAL A 381 6.433 1.434 11.311 1.00 0.17 C ATOM 665 CG1 VAL A 381 6.107 0.731 12.621 1.00 0.79 C ATOM 666 CG2 VAL A 381 7.518 0.689 10.542 1.00 0.82 C ATOM 0 H VAL A 381 3.913 2.547 11.825 1.00 0.12 H new ATOM 0 HA VAL A 381 5.507 1.874 9.427 1.00 0.13 H new ATOM 0 HB VAL A 381 6.815 2.423 11.564 1.00 0.17 H new ATOM 0 HG11 VAL A 381 7.019 0.607 13.204 1.00 0.79 H new ATOM 0 HG12 VAL A 381 5.393 1.329 13.187 1.00 0.79 H new ATOM 0 HG13 VAL A 381 5.675 -0.247 12.411 1.00 0.79 H new ATOM 0 HG21 VAL A 381 8.392 0.558 11.181 1.00 0.82 H new ATOM 0 HG22 VAL A 381 7.142 -0.287 10.236 1.00 0.82 H new ATOM 0 HG23 VAL A 381 7.797 1.263 9.659 1.00 0.82 H new ATOM 676 N PHE A 382 4.214 -0.191 9.200 1.00 0.09 N ATOM 677 CA PHE A 382 3.602 -1.485 9.020 1.00 0.09 C ATOM 678 C PHE A 382 4.676 -2.407 8.426 1.00 0.09 C ATOM 679 O PHE A 382 5.831 -1.999 8.322 1.00 0.10 O ATOM 680 CB PHE A 382 2.334 -1.411 8.153 1.00 0.10 C ATOM 681 CG PHE A 382 1.469 -0.192 8.401 1.00 0.11 C ATOM 682 CD1 PHE A 382 1.132 0.202 9.691 1.00 0.18 C ATOM 683 CD2 PHE A 382 1.009 0.581 7.337 1.00 0.12 C ATOM 684 CE1 PHE A 382 0.362 1.327 9.912 1.00 0.22 C ATOM 685 CE2 PHE A 382 0.246 1.704 7.562 1.00 0.15 C ATOM 686 CZ PHE A 382 -0.077 2.078 8.848 1.00 0.18 C ATOM 0 H PHE A 382 4.538 0.243 8.335 1.00 0.09 H new ATOM 0 HA PHE A 382 3.256 -1.883 9.974 1.00 0.09 H new ATOM 0 HB2 PHE A 382 2.627 -1.425 7.103 1.00 0.10 H new ATOM 0 HB3 PHE A 382 1.737 -2.306 8.329 1.00 0.10 H new ATOM 0 HD1 PHE A 382 1.477 -0.380 10.533 1.00 0.18 H new ATOM 0 HD2 PHE A 382 1.254 0.296 6.325 1.00 0.12 H new ATOM 0 HE1 PHE A 382 0.105 1.616 10.920 1.00 0.22 H new ATOM 0 HE2 PHE A 382 -0.101 2.295 6.727 1.00 0.15 H new ATOM 0 HZ PHE A 382 -0.675 2.961 9.020 1.00 0.18 H new ATOM 696 N TYR A 383 4.356 -3.632 8.054 1.00 0.11 N ATOM 697 CA TYR A 383 5.421 -4.560 7.674 1.00 0.11 C ATOM 698 C TYR A 383 5.058 -5.420 6.463 1.00 0.11 C ATOM 699 O TYR A 383 4.052 -6.122 6.473 1.00 0.13 O ATOM 700 CB TYR A 383 5.683 -5.450 8.882 1.00 0.13 C ATOM 701 CG TYR A 383 7.114 -5.890 9.029 1.00 0.21 C ATOM 702 CD1 TYR A 383 8.133 -4.957 9.182 1.00 0.25 C ATOM 703 CD2 TYR A 383 7.443 -7.237 9.040 1.00 0.37 C ATOM 704 CE1 TYR A 383 9.443 -5.357 9.345 1.00 0.39 C ATOM 705 CE2 TYR A 383 8.747 -7.649 9.197 1.00 0.49 C ATOM 706 CZ TYR A 383 9.748 -6.707 9.352 1.00 0.50 C ATOM 707 OH TYR A 383 11.051 -7.115 9.531 1.00 0.65 O ATOM 0 H TYR A 383 3.408 -4.004 8.005 1.00 0.11 H new ATOM 0 HA TYR A 383 6.304 -3.990 7.384 1.00 0.11 H new ATOM 0 HB2 TYR A 383 5.385 -4.915 9.784 1.00 0.13 H new ATOM 0 HB3 TYR A 383 5.049 -6.334 8.812 1.00 0.13 H new ATOM 0 HD1 TYR A 383 7.896 -3.903 9.173 1.00 0.25 H new ATOM 0 HD2 TYR A 383 6.663 -7.975 8.923 1.00 0.37 H new ATOM 0 HE1 TYR A 383 10.225 -4.622 9.466 1.00 0.39 H new ATOM 0 HE2 TYR A 383 8.987 -8.702 9.199 1.00 0.49 H new ATOM 0 HH TYR A 383 11.523 -7.090 8.672 1.00 0.65 H new ATOM 717 N VAL A 384 5.887 -5.355 5.411 1.00 0.09 N ATOM 718 CA VAL A 384 5.751 -6.276 4.288 1.00 0.09 C ATOM 719 C VAL A 384 6.592 -7.496 4.534 1.00 0.13 C ATOM 720 O VAL A 384 7.783 -7.568 4.217 1.00 0.16 O ATOM 721 CB VAL A 384 6.087 -5.687 2.899 1.00 0.07 C ATOM 722 CG1 VAL A 384 7.365 -4.898 2.931 1.00 0.07 C ATOM 723 CG2 VAL A 384 6.175 -6.792 1.838 1.00 0.08 C ATOM 0 H VAL A 384 6.647 -4.681 5.320 1.00 0.09 H new ATOM 0 HA VAL A 384 4.690 -6.520 4.245 1.00 0.09 H new ATOM 0 HB VAL A 384 5.276 -5.010 2.631 1.00 0.07 H new ATOM 0 HG11 VAL A 384 7.571 -4.498 1.938 1.00 0.07 H new ATOM 0 HG12 VAL A 384 7.267 -4.076 3.640 1.00 0.07 H new ATOM 0 HG13 VAL A 384 8.185 -5.547 3.238 1.00 0.07 H new ATOM 0 HG21 VAL A 384 6.412 -6.349 0.871 1.00 0.08 H new ATOM 0 HG22 VAL A 384 6.956 -7.501 2.114 1.00 0.08 H new ATOM 0 HG23 VAL A 384 5.219 -7.312 1.774 1.00 0.08 H new ATOM 733 N TRP A 385 5.945 -8.456 5.109 1.00 0.18 N ATOM 734 CA TRP A 385 6.561 -9.720 5.375 1.00 0.23 C ATOM 735 C TRP A 385 6.273 -10.647 4.207 1.00 0.12 C ATOM 736 O TRP A 385 6.535 -11.847 4.251 1.00 0.21 O ATOM 737 CB TRP A 385 6.104 -10.282 6.727 1.00 0.48 C ATOM 738 CG TRP A 385 4.614 -10.255 6.926 1.00 0.45 C ATOM 739 CD1 TRP A 385 3.846 -9.174 7.283 1.00 0.57 C ATOM 740 CD2 TRP A 385 3.711 -11.358 6.794 1.00 1.08 C ATOM 741 NE1 TRP A 385 2.533 -9.544 7.376 1.00 1.17 N ATOM 742 CE2 TRP A 385 2.422 -10.872 7.079 1.00 1.54 C ATOM 743 CE3 TRP A 385 3.860 -12.705 6.458 1.00 1.37 C ATOM 744 CZ2 TRP A 385 1.296 -11.680 7.043 1.00 2.27 C ATOM 745 CZ3 TRP A 385 2.736 -13.511 6.422 1.00 2.11 C ATOM 746 CH2 TRP A 385 1.468 -12.994 6.712 1.00 2.55 C ATOM 0 H TRP A 385 4.973 -8.389 5.409 1.00 0.18 H new ATOM 0 HA TRP A 385 7.642 -9.610 5.462 1.00 0.23 H new ATOM 0 HB2 TRP A 385 6.454 -11.310 6.819 1.00 0.48 H new ATOM 0 HB3 TRP A 385 6.578 -9.711 7.526 1.00 0.48 H new ATOM 0 HD1 TRP A 385 4.223 -8.178 7.464 1.00 0.57 H new ATOM 0 HE1 TRP A 385 1.761 -8.927 7.627 1.00 1.17 H new ATOM 0 HE3 TRP A 385 4.835 -13.110 6.230 1.00 1.37 H new ATOM 0 HZ2 TRP A 385 0.317 -11.284 7.269 1.00 2.27 H new ATOM 0 HZ3 TRP A 385 2.839 -14.555 6.166 1.00 2.11 H new ATOM 0 HH2 TRP A 385 0.609 -13.647 6.673 1.00 2.55 H new ATOM 757 N ASN A 386 5.741 -10.036 3.141 1.00 0.10 N ATOM 758 CA ASN A 386 5.540 -10.710 1.869 1.00 0.14 C ATOM 759 C ASN A 386 5.173 -9.703 0.787 1.00 0.11 C ATOM 760 O ASN A 386 4.267 -8.901 0.942 1.00 0.12 O ATOM 761 CB ASN A 386 4.430 -11.751 1.996 1.00 0.27 C ATOM 762 CG ASN A 386 4.248 -12.564 0.727 1.00 0.33 C ATOM 763 OD1 ASN A 386 4.880 -13.605 0.549 1.00 0.43 O ATOM 764 ND2 ASN A 386 3.385 -12.102 -0.160 1.00 0.31 N ATOM 0 H ASN A 386 5.441 -9.061 3.144 1.00 0.10 H new ATOM 0 HA ASN A 386 6.470 -11.207 1.591 1.00 0.14 H new ATOM 0 HB2 ASN A 386 4.659 -12.422 2.824 1.00 0.27 H new ATOM 0 HB3 ASN A 386 3.493 -11.251 2.241 1.00 0.27 H new ATOM 0 HD21 ASN A 386 3.224 -12.612 -1.028 1.00 0.31 H new ATOM 0 HD22 ASN A 386 2.880 -11.235 0.023 1.00 0.31 H new ATOM 771 N LYS A 387 5.923 -9.754 -0.292 1.00 0.11 N ATOM 772 CA LYS A 387 5.606 -9.050 -1.532 1.00 0.09 C ATOM 773 C LYS A 387 4.958 -10.024 -2.500 1.00 0.08 C ATOM 774 O LYS A 387 5.347 -11.191 -2.564 1.00 0.13 O ATOM 775 CB LYS A 387 6.874 -8.448 -2.161 1.00 0.13 C ATOM 776 CG LYS A 387 8.169 -8.774 -1.435 1.00 0.38 C ATOM 777 CD LYS A 387 8.541 -10.222 -1.618 1.00 0.20 C ATOM 778 CE LYS A 387 9.173 -10.480 -2.964 1.00 0.40 C ATOM 779 NZ LYS A 387 9.728 -11.855 -3.074 1.00 1.12 N1+ ATOM 0 H LYS A 387 6.787 -10.293 -0.341 1.00 0.11 H new ATOM 0 HA LYS A 387 4.920 -8.233 -1.311 1.00 0.09 H new ATOM 0 HB2 LYS A 387 6.953 -8.800 -3.190 1.00 0.13 H new ATOM 0 HB3 LYS A 387 6.761 -7.365 -2.203 1.00 0.13 H new ATOM 0 HG2 LYS A 387 8.971 -8.139 -1.811 1.00 0.38 H new ATOM 0 HG3 LYS A 387 8.060 -8.554 -0.373 1.00 0.38 H new ATOM 0 HD2 LYS A 387 9.233 -10.521 -0.830 1.00 0.20 H new ATOM 0 HD3 LYS A 387 7.650 -10.841 -1.512 1.00 0.20 H new ATOM 0 HE2 LYS A 387 8.430 -10.327 -3.747 1.00 0.40 H new ATOM 0 HE3 LYS A 387 9.969 -9.755 -3.134 1.00 0.40 H new ATOM 0 HZ1 LYS A 387 10.151 -11.984 -4.015 1.00 1.12 H new ATOM 0 HZ2 LYS A 387 10.456 -11.995 -2.345 1.00 1.12 H new ATOM 0 HZ3 LYS A 387 8.965 -12.549 -2.939 1.00 1.12 H new ATOM 793 N GLU A 388 3.980 -9.538 -3.253 1.00 0.09 N ATOM 794 CA GLU A 388 3.132 -10.403 -4.058 1.00 0.10 C ATOM 795 C GLU A 388 3.098 -10.066 -5.532 1.00 0.10 C ATOM 796 O GLU A 388 3.424 -8.964 -5.955 1.00 0.10 O ATOM 797 CB GLU A 388 1.711 -10.338 -3.541 1.00 0.09 C ATOM 798 CG GLU A 388 1.403 -11.339 -2.507 1.00 0.15 C ATOM 799 CD GLU A 388 1.573 -12.764 -2.979 1.00 0.38 C ATOM 800 OE1 GLU A 388 0.754 -13.221 -3.802 1.00 0.69 O ATOM 801 OE2 GLU A 388 2.521 -13.437 -2.529 1.00 0.71 O1- ATOM 0 H GLU A 388 3.755 -8.546 -3.322 1.00 0.09 H new ATOM 0 HA GLU A 388 3.569 -11.397 -3.966 1.00 0.10 H new ATOM 0 HB2 GLU A 388 1.528 -9.343 -3.135 1.00 0.09 H new ATOM 0 HB3 GLU A 388 1.025 -10.472 -4.377 1.00 0.09 H new ATOM 0 HG2 GLU A 388 2.049 -11.170 -1.645 1.00 0.15 H new ATOM 0 HG3 GLU A 388 0.377 -11.197 -2.169 1.00 0.15 H new ATOM 808 N GLU A 389 2.640 -11.051 -6.272 1.00 0.10 N ATOM 809 CA GLU A 389 2.311 -10.946 -7.662 1.00 0.11 C ATOM 810 C GLU A 389 0.933 -11.526 -7.805 1.00 0.16 C ATOM 811 O GLU A 389 0.625 -12.505 -7.126 1.00 0.28 O ATOM 812 CB GLU A 389 3.296 -11.713 -8.515 1.00 0.14 C ATOM 813 CG GLU A 389 4.620 -11.016 -8.653 1.00 0.16 C ATOM 814 CD GLU A 389 5.641 -11.873 -9.363 1.00 0.27 C ATOM 815 OE1 GLU A 389 5.952 -12.975 -8.862 1.00 0.33 O1- ATOM 816 OE2 GLU A 389 6.153 -11.443 -10.418 1.00 0.38 O ATOM 0 H GLU A 389 2.482 -11.986 -5.897 1.00 0.10 H new ATOM 0 HA GLU A 389 2.350 -9.909 -7.996 1.00 0.11 H new ATOM 0 HB2 GLU A 389 3.455 -12.699 -8.079 1.00 0.14 H new ATOM 0 HB3 GLU A 389 2.868 -11.867 -9.505 1.00 0.14 H new ATOM 0 HG2 GLU A 389 4.484 -10.085 -9.203 1.00 0.16 H new ATOM 0 HG3 GLU A 389 4.994 -10.751 -7.664 1.00 0.16 H new ATOM 823 N ASP A 390 0.144 -10.963 -8.700 1.00 0.12 N ATOM 824 CA ASP A 390 -1.161 -11.520 -9.069 1.00 0.15 C ATOM 825 C ASP A 390 -1.865 -12.057 -7.826 1.00 0.16 C ATOM 826 O ASP A 390 -2.321 -13.206 -7.758 1.00 0.25 O ATOM 827 CB ASP A 390 -0.950 -12.601 -10.119 1.00 0.19 C ATOM 828 CG ASP A 390 -2.249 -13.227 -10.594 1.00 0.28 C ATOM 829 OD1 ASP A 390 -3.165 -12.478 -10.991 1.00 0.41 O ATOM 830 OD2 ASP A 390 -2.353 -14.472 -10.579 1.00 0.36 O1- ATOM 0 H ASP A 390 0.382 -10.105 -9.197 1.00 0.12 H new ATOM 0 HA ASP A 390 -1.803 -10.748 -9.494 1.00 0.15 H new ATOM 0 HB2 ASP A 390 -0.426 -12.173 -10.973 1.00 0.19 H new ATOM 0 HB3 ASP A 390 -0.307 -13.379 -9.708 1.00 0.19 H new ATOM 835 N ALA A 391 -1.832 -11.188 -6.823 1.00 0.12 N ATOM 836 CA ALA A 391 -2.397 -11.407 -5.514 1.00 0.11 C ATOM 837 C ALA A 391 -3.863 -11.094 -5.557 1.00 0.10 C ATOM 838 O ALA A 391 -4.347 -10.532 -6.526 1.00 0.11 O ATOM 839 CB ALA A 391 -1.728 -10.472 -4.540 1.00 0.10 C ATOM 0 H ALA A 391 -1.389 -10.274 -6.913 1.00 0.12 H new ATOM 0 HA ALA A 391 -2.247 -12.442 -5.208 1.00 0.11 H new ATOM 0 HB1 ALA A 391 -2.144 -10.625 -3.544 1.00 0.10 H new ATOM 0 HB2 ALA A 391 -0.657 -10.673 -4.520 1.00 0.10 H new ATOM 0 HB3 ALA A 391 -1.898 -9.441 -4.850 1.00 0.10 H new ATOM 845 N THR A 392 -4.580 -11.457 -4.537 1.00 0.11 N ATOM 846 CA THR A 392 -5.940 -11.000 -4.427 1.00 0.11 C ATOM 847 C THR A 392 -6.224 -10.459 -3.051 1.00 0.11 C ATOM 848 O THR A 392 -6.106 -11.153 -2.041 1.00 0.14 O ATOM 849 CB THR A 392 -6.964 -12.081 -4.794 1.00 0.15 C ATOM 850 OG1 THR A 392 -6.586 -12.726 -6.016 1.00 0.17 O ATOM 851 CG2 THR A 392 -8.338 -11.455 -4.952 1.00 0.15 C ATOM 0 H THR A 392 -4.257 -12.058 -3.779 1.00 0.11 H new ATOM 0 HA THR A 392 -6.048 -10.195 -5.154 1.00 0.11 H new ATOM 0 HB THR A 392 -6.994 -12.823 -3.996 1.00 0.15 H new ATOM 0 HG1 THR A 392 -7.246 -13.415 -6.240 1.00 0.17 H new ATOM 0 HG21 THR A 392 -9.062 -12.227 -5.213 1.00 0.15 H new ATOM 0 HG22 THR A 392 -8.633 -10.983 -4.015 1.00 0.15 H new ATOM 0 HG23 THR A 392 -8.307 -10.705 -5.742 1.00 0.15 H new ATOM 859 N LEU A 393 -6.584 -9.203 -3.041 1.00 0.10 N ATOM 860 CA LEU A 393 -6.898 -8.489 -1.821 1.00 0.12 C ATOM 861 C LEU A 393 -8.262 -8.840 -1.306 1.00 0.15 C ATOM 862 O LEU A 393 -9.264 -8.196 -1.611 1.00 0.16 O ATOM 863 CB LEU A 393 -6.800 -7.017 -2.101 1.00 0.11 C ATOM 864 CG LEU A 393 -5.416 -6.402 -2.025 1.00 0.25 C ATOM 865 CD1 LEU A 393 -4.397 -7.346 -2.593 1.00 0.57 C ATOM 866 CD2 LEU A 393 -5.399 -5.125 -2.815 1.00 0.51 C ATOM 0 H LEU A 393 -6.670 -8.637 -3.885 1.00 0.10 H new ATOM 0 HA LEU A 393 -6.188 -8.775 -1.045 1.00 0.12 H new ATOM 0 HB2 LEU A 393 -7.201 -6.832 -3.098 1.00 0.11 H new ATOM 0 HB3 LEU A 393 -7.445 -6.492 -1.396 1.00 0.11 H new ATOM 0 HG LEU A 393 -5.173 -6.201 -0.982 1.00 0.25 H new ATOM 0 HD11 LEU A 393 -3.408 -6.893 -2.533 1.00 0.57 H new ATOM 0 HD12 LEU A 393 -4.406 -8.276 -2.024 1.00 0.57 H new ATOM 0 HD13 LEU A 393 -4.637 -7.556 -3.635 1.00 0.57 H new ATOM 0 HD21 LEU A 393 -4.406 -4.679 -2.764 1.00 0.51 H new ATOM 0 HD22 LEU A 393 -5.648 -5.337 -3.855 1.00 0.51 H new ATOM 0 HD23 LEU A 393 -6.131 -4.431 -2.401 1.00 0.51 H new ATOM 878 N LYS A 394 -8.266 -9.875 -0.543 1.00 0.18 N ATOM 879 CA LYS A 394 -9.449 -10.378 0.095 1.00 0.23 C ATOM 880 C LYS A 394 -9.540 -10.020 1.549 1.00 0.29 C ATOM 881 O LYS A 394 -8.682 -9.325 2.104 1.00 0.29 O ATOM 882 CB LYS A 394 -9.392 -11.839 -0.067 1.00 0.25 C ATOM 883 CG LYS A 394 -9.423 -12.180 -1.484 1.00 0.23 C ATOM 884 CD LYS A 394 -9.891 -13.533 -1.636 1.00 0.27 C ATOM 885 CE LYS A 394 -9.296 -14.021 -2.881 1.00 0.27 C ATOM 886 NZ LYS A 394 -9.608 -15.442 -3.181 1.00 0.33 N1+ ATOM 0 H LYS A 394 -7.427 -10.416 -0.334 1.00 0.18 H new ATOM 0 HA LYS A 394 -10.333 -9.933 -0.362 1.00 0.23 H new ATOM 0 HB2 LYS A 394 -8.483 -12.230 0.391 1.00 0.25 H new ATOM 0 HB3 LYS A 394 -10.233 -12.304 0.447 1.00 0.25 H new ATOM 0 HG2 LYS A 394 -10.078 -11.494 -2.021 1.00 0.23 H new ATOM 0 HG3 LYS A 394 -8.428 -12.076 -1.917 1.00 0.23 H new ATOM 0 HD2 LYS A 394 -9.588 -14.149 -0.790 1.00 0.27 H new ATOM 0 HD3 LYS A 394 -10.979 -13.568 -1.682 1.00 0.27 H new ATOM 0 HE2 LYS A 394 -9.645 -13.401 -3.707 1.00 0.27 H new ATOM 0 HE3 LYS A 394 -8.214 -13.900 -2.827 1.00 0.27 H new ATOM 0 HZ1 LYS A 394 -9.154 -15.716 -4.076 1.00 0.33 H new ATOM 0 HZ2 LYS A 394 -9.251 -16.045 -2.413 1.00 0.33 H new ATOM 0 HZ3 LYS A 394 -10.638 -15.561 -3.265 1.00 0.33 H new ATOM 1015 N GLU A 404 -12.897 -9.047 -2.480 1.00 0.25 N ATOM 1016 CA GLU A 404 -11.684 -9.377 -3.189 1.00 0.21 C ATOM 1017 C GLU A 404 -11.251 -8.230 -4.074 1.00 0.20 C ATOM 1018 O GLU A 404 -12.075 -7.457 -4.559 1.00 0.23 O ATOM 1019 CB GLU A 404 -11.880 -10.610 -4.057 1.00 0.22 C ATOM 1020 CG GLU A 404 -12.020 -11.893 -3.267 1.00 0.24 C ATOM 1021 CD GLU A 404 -13.347 -12.584 -3.491 1.00 0.31 C ATOM 1022 OE1 GLU A 404 -14.392 -11.988 -3.161 1.00 0.53 O ATOM 1023 OE2 GLU A 404 -13.355 -13.725 -3.993 1.00 0.39 O1- ATOM 0 HA GLU A 404 -10.916 -9.575 -2.441 1.00 0.21 H new ATOM 0 HB2 GLU A 404 -12.770 -10.473 -4.672 1.00 0.22 H new ATOM 0 HB3 GLU A 404 -11.034 -10.703 -4.737 1.00 0.22 H new ATOM 0 HG2 GLU A 404 -11.212 -12.572 -3.541 1.00 0.24 H new ATOM 0 HG3 GLU A 404 -11.906 -11.674 -2.205 1.00 0.24 H new ATOM 1030 N SER A 405 -9.951 -8.102 -4.239 1.00 0.16 N ATOM 1031 CA SER A 405 -9.394 -7.195 -5.206 1.00 0.15 C ATOM 1032 C SER A 405 -8.153 -7.823 -5.769 1.00 0.13 C ATOM 1033 O SER A 405 -7.084 -7.756 -5.167 1.00 0.11 O ATOM 1034 CB SER A 405 -9.009 -5.871 -4.570 1.00 0.15 C ATOM 1035 OG SER A 405 -9.744 -5.629 -3.380 1.00 0.19 O ATOM 0 H SER A 405 -9.257 -8.625 -3.705 1.00 0.16 H new ATOM 0 HA SER A 405 -10.140 -7.004 -5.977 1.00 0.15 H new ATOM 0 HB2 SER A 405 -7.942 -5.871 -4.346 1.00 0.15 H new ATOM 0 HB3 SER A 405 -9.186 -5.062 -5.278 1.00 0.15 H new ATOM 0 HG SER A 405 -9.471 -4.770 -2.996 1.00 0.19 H new ATOM 1041 N PRO A 406 -8.277 -8.451 -6.920 1.00 0.15 N ATOM 1042 CA PRO A 406 -7.173 -9.133 -7.541 1.00 0.14 C ATOM 1043 C PRO A 406 -6.141 -8.149 -8.013 1.00 0.13 C ATOM 1044 O PRO A 406 -6.337 -7.398 -8.970 1.00 0.17 O ATOM 1045 CB PRO A 406 -7.819 -9.911 -8.683 1.00 0.18 C ATOM 1046 CG PRO A 406 -9.259 -9.904 -8.344 1.00 0.19 C ATOM 1047 CD PRO A 406 -9.493 -8.588 -7.695 1.00 0.18 C ATOM 0 HA PRO A 406 -6.633 -9.796 -6.865 1.00 0.14 H new ATOM 0 HB2 PRO A 406 -7.632 -9.436 -9.646 1.00 0.18 H new ATOM 0 HB3 PRO A 406 -7.428 -10.926 -8.747 1.00 0.18 H new ATOM 0 HG2 PRO A 406 -9.875 -10.020 -9.236 1.00 0.19 H new ATOM 0 HG3 PRO A 406 -9.511 -10.726 -7.673 1.00 0.19 H new ATOM 0 HD2 PRO A 406 -9.614 -7.784 -8.421 1.00 0.18 H new ATOM 0 HD3 PRO A 406 -10.385 -8.588 -7.069 1.00 0.18 H new ATOM 1055 N VAL A 407 -5.041 -8.194 -7.321 1.00 0.10 N ATOM 1056 CA VAL A 407 -4.017 -7.217 -7.409 1.00 0.09 C ATOM 1057 C VAL A 407 -2.817 -7.858 -8.080 1.00 0.11 C ATOM 1058 O VAL A 407 -2.713 -9.073 -8.136 1.00 0.15 O ATOM 1059 CB VAL A 407 -3.752 -6.746 -5.965 1.00 0.08 C ATOM 1060 CG1 VAL A 407 -2.488 -7.252 -5.356 1.00 0.07 C ATOM 1061 CG2 VAL A 407 -3.919 -5.268 -5.790 1.00 0.08 C ATOM 0 H VAL A 407 -4.833 -8.942 -6.659 1.00 0.10 H new ATOM 0 HA VAL A 407 -4.277 -6.346 -8.010 1.00 0.09 H new ATOM 0 HB VAL A 407 -4.543 -7.226 -5.388 1.00 0.08 H new ATOM 0 HG11 VAL A 407 -2.393 -6.865 -4.341 1.00 0.07 H new ATOM 0 HG12 VAL A 407 -2.508 -8.341 -5.329 1.00 0.07 H new ATOM 0 HG13 VAL A 407 -1.638 -6.919 -5.952 1.00 0.07 H new ATOM 0 HG21 VAL A 407 -3.719 -5.000 -4.753 1.00 0.08 H new ATOM 0 HG22 VAL A 407 -3.221 -4.743 -6.442 1.00 0.08 H new ATOM 0 HG23 VAL A 407 -4.939 -4.984 -6.048 1.00 0.08 H new ATOM 1071 N ASN A 408 -1.950 -7.061 -8.642 1.00 0.11 N ATOM 1072 CA ASN A 408 -0.830 -7.589 -9.404 1.00 0.12 C ATOM 1073 C ASN A 408 0.350 -7.746 -8.490 1.00 0.10 C ATOM 1074 O ASN A 408 1.267 -8.508 -8.773 1.00 0.11 O ATOM 1075 CB ASN A 408 -0.497 -6.646 -10.553 1.00 0.15 C ATOM 1076 CG ASN A 408 -1.568 -6.598 -11.632 1.00 0.19 C ATOM 1077 OD1 ASN A 408 -1.269 -6.400 -12.808 1.00 0.51 O ATOM 1078 ND2 ASN A 408 -2.823 -6.769 -11.244 1.00 0.38 N ATOM 0 H ASN A 408 -1.989 -6.043 -8.592 1.00 0.11 H new ATOM 0 HA ASN A 408 -1.090 -8.561 -9.824 1.00 0.12 H new ATOM 0 HB2 ASN A 408 -0.348 -5.642 -10.156 1.00 0.15 H new ATOM 0 HB3 ASN A 408 0.447 -6.954 -11.003 1.00 0.15 H new ATOM 0 HD21 ASN A 408 -3.577 -6.738 -11.930 1.00 0.38 H new ATOM 0 HD22 ASN A 408 -3.035 -6.931 -10.260 1.00 0.38 H new ATOM 1085 N TYR A 409 0.292 -7.041 -7.374 1.00 0.08 N ATOM 1086 CA TYR A 409 1.413 -6.917 -6.458 1.00 0.06 C ATOM 1087 C TYR A 409 0.874 -6.480 -5.116 1.00 0.06 C ATOM 1088 O TYR A 409 0.163 -5.479 -5.019 1.00 0.06 O ATOM 1089 CB TYR A 409 2.472 -5.919 -6.958 1.00 0.06 C ATOM 1090 CG TYR A 409 3.143 -6.345 -8.244 1.00 0.08 C ATOM 1091 CD1 TYR A 409 4.308 -7.099 -8.223 1.00 0.11 C ATOM 1092 CD2 TYR A 409 2.641 -5.951 -9.471 1.00 0.13 C ATOM 1093 CE1 TYR A 409 4.952 -7.446 -9.389 1.00 0.17 C ATOM 1094 CE2 TYR A 409 3.270 -6.302 -10.645 1.00 0.18 C ATOM 1095 CZ TYR A 409 4.318 -7.206 -10.606 1.00 0.17 C ATOM 1096 OH TYR A 409 5.058 -7.391 -11.776 1.00 0.27 O ATOM 0 H TYR A 409 -0.541 -6.534 -7.075 1.00 0.08 H new ATOM 0 HA TYR A 409 1.912 -7.883 -6.382 1.00 0.06 H new ATOM 0 HB2 TYR A 409 2.002 -4.947 -7.108 1.00 0.06 H new ATOM 0 HB3 TYR A 409 3.231 -5.790 -6.187 1.00 0.06 H new ATOM 0 HD1 TYR A 409 4.716 -7.419 -7.276 1.00 0.11 H new ATOM 0 HD2 TYR A 409 1.740 -5.357 -9.509 1.00 0.13 H new ATOM 0 HE1 TYR A 409 5.933 -7.897 -9.361 1.00 0.17 H new ATOM 0 HE2 TYR A 409 2.950 -5.877 -11.585 1.00 0.18 H new ATOM 0 HH TYR A 409 4.496 -7.190 -12.554 1.00 0.27 H new ATOM 1106 N TRP A 410 1.235 -7.206 -4.088 1.00 0.06 N ATOM 1107 CA TRP A 410 0.577 -7.086 -2.804 1.00 0.06 C ATOM 1108 C TRP A 410 1.545 -7.277 -1.666 1.00 0.06 C ATOM 1109 O TRP A 410 2.347 -8.196 -1.653 1.00 0.09 O ATOM 1110 CB TRP A 410 -0.518 -8.134 -2.770 1.00 0.07 C ATOM 1111 CG TRP A 410 -1.185 -8.343 -1.469 1.00 0.07 C ATOM 1112 CD1 TRP A 410 -1.384 -9.530 -0.896 1.00 0.08 C ATOM 1113 CD2 TRP A 410 -1.749 -7.363 -0.613 1.00 0.06 C ATOM 1114 NE1 TRP A 410 -2.080 -9.374 0.282 1.00 0.08 N ATOM 1115 CE2 TRP A 410 -2.312 -8.026 0.481 1.00 0.07 C ATOM 1116 CE3 TRP A 410 -1.827 -5.992 -0.685 1.00 0.06 C ATOM 1117 CZ2 TRP A 410 -2.964 -7.327 1.511 1.00 0.07 C ATOM 1118 CZ3 TRP A 410 -2.456 -5.297 0.311 1.00 0.07 C ATOM 1119 CH2 TRP A 410 -3.025 -5.958 1.405 1.00 0.07 C ATOM 0 H TRP A 410 1.988 -7.894 -4.113 1.00 0.06 H new ATOM 0 HA TRP A 410 0.161 -6.086 -2.683 1.00 0.06 H new ATOM 0 HB2 TRP A 410 -1.277 -7.860 -3.503 1.00 0.07 H new ATOM 0 HB3 TRP A 410 -0.092 -9.084 -3.092 1.00 0.07 H new ATOM 0 HD1 TRP A 410 -1.049 -10.475 -1.297 1.00 0.08 H new ATOM 0 HE1 TRP A 410 -2.375 -10.127 0.904 1.00 0.08 H new ATOM 0 HE3 TRP A 410 -1.394 -5.467 -1.523 1.00 0.06 H new ATOM 0 HZ2 TRP A 410 -3.400 -7.845 2.353 1.00 0.07 H new ATOM 0 HZ3 TRP A 410 -2.514 -4.220 0.252 1.00 0.07 H new ATOM 0 HH2 TRP A 410 -3.519 -5.385 2.176 1.00 0.07 H new ATOM 1130 N MET A 411 1.491 -6.375 -0.730 1.00 0.08 N ATOM 1131 CA MET A 411 2.246 -6.523 0.476 1.00 0.09 C ATOM 1132 C MET A 411 1.266 -6.725 1.617 1.00 0.12 C ATOM 1133 O MET A 411 0.759 -5.743 2.167 1.00 0.14 O ATOM 1134 CB MET A 411 3.102 -5.288 0.730 1.00 0.10 C ATOM 1135 CG MET A 411 3.846 -4.764 -0.489 1.00 0.09 C ATOM 1136 SD MET A 411 5.028 -5.940 -1.154 1.00 0.06 S ATOM 1137 CE MET A 411 5.906 -4.913 -2.324 1.00 0.06 C ATOM 0 H MET A 411 0.929 -5.526 -0.781 1.00 0.08 H new ATOM 0 HA MET A 411 2.916 -7.378 0.393 1.00 0.09 H new ATOM 0 HB2 MET A 411 2.463 -4.494 1.117 1.00 0.10 H new ATOM 0 HB3 MET A 411 3.828 -5.521 1.509 1.00 0.10 H new ATOM 0 HG2 MET A 411 3.124 -4.506 -1.264 1.00 0.09 H new ATOM 0 HG3 MET A 411 4.368 -3.846 -0.221 1.00 0.09 H new ATOM 0 HE1 MET A 411 5.563 -5.138 -3.334 1.00 0.06 H new ATOM 0 HE2 MET A 411 5.715 -3.863 -2.101 1.00 0.06 H new ATOM 0 HE3 MET A 411 6.975 -5.111 -2.251 1.00 0.06 H new ATOM 1147 N PRO A 412 0.936 -7.985 1.954 1.00 0.13 N ATOM 1148 CA PRO A 412 0.006 -8.283 3.037 1.00 0.19 C ATOM 1149 C PRO A 412 0.582 -7.907 4.387 1.00 0.25 C ATOM 1150 O PRO A 412 1.030 -8.758 5.148 1.00 0.50 O ATOM 1151 CB PRO A 412 -0.218 -9.794 2.944 1.00 0.24 C ATOM 1152 CG PRO A 412 0.986 -10.309 2.236 1.00 0.23 C ATOM 1153 CD PRO A 412 1.430 -9.210 1.307 1.00 0.16 C ATOM 0 HA PRO A 412 -0.920 -7.715 2.944 1.00 0.19 H new ATOM 0 HB2 PRO A 412 -0.318 -10.242 3.933 1.00 0.24 H new ATOM 0 HB3 PRO A 412 -1.130 -10.026 2.395 1.00 0.24 H new ATOM 0 HG2 PRO A 412 1.775 -10.563 2.944 1.00 0.23 H new ATOM 0 HG3 PRO A 412 0.752 -11.217 1.681 1.00 0.23 H new ATOM 0 HD2 PRO A 412 2.514 -9.194 1.195 1.00 0.16 H new ATOM 0 HD3 PRO A 412 1.008 -9.334 0.310 1.00 0.16 H new ATOM 1237 N VAL A 418 -3.944 -2.158 7.436 1.00 0.32 N ATOM 1238 CA VAL A 418 -3.496 -1.637 6.141 1.00 0.26 C ATOM 1239 C VAL A 418 -2.863 -2.727 5.268 1.00 0.24 C ATOM 1240 O VAL A 418 -2.675 -3.864 5.700 1.00 0.27 O ATOM 1241 CB VAL A 418 -2.470 -0.498 6.370 1.00 0.25 C ATOM 1242 CG1 VAL A 418 -2.050 0.199 5.073 1.00 0.75 C ATOM 1243 CG2 VAL A 418 -3.039 0.506 7.339 1.00 0.75 C ATOM 0 HA VAL A 418 -4.373 -1.259 5.615 1.00 0.26 H new ATOM 0 HB VAL A 418 -1.570 -0.953 6.784 1.00 0.25 H new ATOM 0 HG11 VAL A 418 -1.331 0.986 5.299 1.00 0.75 H new ATOM 0 HG12 VAL A 418 -1.593 -0.527 4.401 1.00 0.75 H new ATOM 0 HG13 VAL A 418 -2.927 0.635 4.594 1.00 0.75 H new ATOM 0 HG21 VAL A 418 -2.317 1.307 7.499 1.00 0.75 H new ATOM 0 HG22 VAL A 418 -3.959 0.924 6.931 1.00 0.75 H new ATOM 0 HG23 VAL A 418 -3.253 0.015 8.288 1.00 0.75 H new ATOM 1253 N GLY A 419 -2.569 -2.369 4.030 1.00 0.20 N ATOM 1254 CA GLY A 419 -1.783 -3.202 3.162 1.00 0.18 C ATOM 1255 C GLY A 419 -1.509 -2.489 1.875 1.00 0.14 C ATOM 1256 O GLY A 419 -2.428 -2.090 1.170 1.00 0.15 O ATOM 0 H GLY A 419 -2.872 -1.492 3.607 1.00 0.20 H new ATOM 0 HA2 GLY A 419 -0.844 -3.464 3.649 1.00 0.18 H new ATOM 0 HA3 GLY A 419 -2.311 -4.135 2.965 1.00 0.18 H new ATOM 1260 N ILE A 420 -0.250 -2.312 1.577 1.00 0.10 N ATOM 1261 CA ILE A 420 0.134 -1.610 0.385 1.00 0.08 C ATOM 1262 C ILE A 420 0.086 -2.547 -0.812 1.00 0.08 C ATOM 1263 O ILE A 420 0.437 -3.725 -0.705 1.00 0.09 O ATOM 1264 CB ILE A 420 1.564 -1.045 0.507 1.00 0.07 C ATOM 1265 CG1 ILE A 420 1.608 0.230 1.356 1.00 0.08 C ATOM 1266 CG2 ILE A 420 2.137 -0.786 -0.867 1.00 0.08 C ATOM 1267 CD1 ILE A 420 1.712 -0.015 2.843 1.00 0.29 C ATOM 0 H ILE A 420 0.528 -2.646 2.146 1.00 0.10 H new ATOM 0 HA ILE A 420 -0.566 -0.786 0.249 1.00 0.08 H new ATOM 0 HB ILE A 420 2.173 -1.792 1.016 1.00 0.07 H new ATOM 0 HG12 ILE A 420 2.458 0.834 1.039 1.00 0.08 H new ATOM 0 HG13 ILE A 420 0.710 0.815 1.158 1.00 0.08 H new ATOM 0 HG21 ILE A 420 3.147 -0.387 -0.771 1.00 0.08 H new ATOM 0 HG22 ILE A 420 2.167 -1.719 -1.430 1.00 0.08 H new ATOM 0 HG23 ILE A 420 1.511 -0.065 -1.392 1.00 0.08 H new ATOM 0 HD11 ILE A 420 1.737 0.940 3.368 1.00 0.29 H new ATOM 0 HD12 ILE A 420 0.849 -0.591 3.178 1.00 0.29 H new ATOM 0 HD13 ILE A 420 2.625 -0.571 3.057 1.00 0.29 H new ATOM 1279 N HIS A 421 -0.349 -2.021 -1.946 1.00 0.07 N ATOM 1280 CA HIS A 421 -0.543 -2.844 -3.125 1.00 0.06 C ATOM 1281 C HIS A 421 -0.551 -2.009 -4.384 1.00 0.07 C ATOM 1282 O HIS A 421 -0.769 -0.805 -4.335 1.00 0.08 O ATOM 1283 CB HIS A 421 -1.870 -3.563 -3.007 1.00 0.06 C ATOM 1284 CG HIS A 421 -3.057 -2.670 -2.978 1.00 0.07 C ATOM 1285 ND1 HIS A 421 -3.598 -2.046 -4.078 1.00 0.08 N ATOM 1286 CD2 HIS A 421 -3.806 -2.310 -1.925 1.00 0.07 C ATOM 1287 CE1 HIS A 421 -4.643 -1.330 -3.661 1.00 0.09 C ATOM 1288 NE2 HIS A 421 -4.817 -1.456 -2.356 1.00 0.08 N ATOM 0 H HIS A 421 -0.573 -1.034 -2.073 1.00 0.07 H new ATOM 0 HA HIS A 421 0.281 -3.555 -3.188 1.00 0.06 H new ATOM 0 HB2 HIS A 421 -1.971 -4.252 -3.845 1.00 0.06 H new ATOM 0 HB3 HIS A 421 -1.862 -4.165 -2.098 1.00 0.06 H new ATOM 0 HD1 HIS A 421 -3.261 -2.118 -5.038 1.00 0.08 H new ATOM 0 HD2 HIS A 421 -3.650 -2.631 -0.906 1.00 0.07 H new ATOM 0 HE1 HIS A 421 -5.266 -0.726 -4.305 1.00 0.09 H new ATOM 1296 N ASP A 422 -0.345 -2.666 -5.510 1.00 0.07 N ATOM 1297 CA ASP A 422 -0.476 -2.024 -6.796 1.00 0.07 C ATOM 1298 C ASP A 422 -1.939 -2.107 -7.216 1.00 0.11 C ATOM 1299 O ASP A 422 -2.640 -3.029 -6.842 1.00 0.20 O ATOM 1300 CB ASP A 422 0.436 -2.712 -7.815 1.00 0.09 C ATOM 1301 CG ASP A 422 -0.275 -3.752 -8.662 1.00 0.65 C ATOM 1302 OD1 ASP A 422 -0.838 -4.708 -8.095 1.00 1.07 O1- ATOM 1303 OD2 ASP A 422 -0.276 -3.608 -9.902 1.00 0.80 O ATOM 0 H ASP A 422 -0.085 -3.651 -5.555 1.00 0.07 H new ATOM 0 HA ASP A 422 -0.175 -0.978 -6.741 1.00 0.07 H new ATOM 0 HB2 ASP A 422 0.870 -1.957 -8.470 1.00 0.09 H new ATOM 0 HB3 ASP A 422 1.262 -3.188 -7.287 1.00 0.09 H new ATOM 1308 N SER A 423 -2.413 -1.125 -7.939 1.00 0.09 N ATOM 1309 CA SER A 423 -3.833 -1.023 -8.227 1.00 0.11 C ATOM 1310 C SER A 423 -4.045 -0.746 -9.683 1.00 0.14 C ATOM 1311 O SER A 423 -4.027 0.393 -10.135 1.00 0.17 O ATOM 1312 CB SER A 423 -4.473 0.081 -7.378 1.00 0.14 C ATOM 1313 OG SER A 423 -5.825 0.271 -7.731 1.00 0.23 O ATOM 0 H SER A 423 -1.842 -0.382 -8.342 1.00 0.09 H new ATOM 0 HA SER A 423 -4.308 -1.971 -7.977 1.00 0.11 H new ATOM 0 HB2 SER A 423 -4.403 -0.180 -6.322 1.00 0.14 H new ATOM 0 HB3 SER A 423 -3.924 1.013 -7.513 1.00 0.14 H new ATOM 0 HG SER A 423 -6.212 0.979 -7.175 1.00 0.23 H new ATOM 1319 N ASP A 424 -4.297 -1.817 -10.402 1.00 0.16 N ATOM 1320 CA ASP A 424 -4.447 -1.754 -11.835 1.00 0.21 C ATOM 1321 C ASP A 424 -5.842 -1.269 -12.171 1.00 0.24 C ATOM 1322 O ASP A 424 -6.131 -0.830 -13.283 1.00 0.27 O ATOM 1323 CB ASP A 424 -4.165 -3.128 -12.423 1.00 0.24 C ATOM 1324 CG ASP A 424 -4.454 -3.219 -13.909 1.00 0.32 C ATOM 1325 OD1 ASP A 424 -3.659 -2.673 -14.705 1.00 0.42 O1- ATOM 1326 OD2 ASP A 424 -5.487 -3.816 -14.287 1.00 0.37 O ATOM 0 H ASP A 424 -4.403 -2.752 -10.010 1.00 0.16 H new ATOM 0 HA ASP A 424 -3.737 -1.049 -12.268 1.00 0.21 H new ATOM 0 HB2 ASP A 424 -3.120 -3.382 -12.248 1.00 0.24 H new ATOM 0 HB3 ASP A 424 -4.766 -3.870 -11.898 1.00 0.24 H new ATOM 1386 N GLU A 428 -6.649 6.634 -11.046 1.00 0.31 N ATOM 1387 CA GLU A 428 -6.158 7.840 -10.435 1.00 0.22 C ATOM 1388 C GLU A 428 -5.234 7.587 -9.268 1.00 0.21 C ATOM 1389 O GLU A 428 -5.317 6.578 -8.571 1.00 0.29 O ATOM 1390 CB GLU A 428 -7.297 8.675 -9.907 1.00 0.34 C ATOM 1391 CG GLU A 428 -8.250 7.902 -9.058 1.00 1.11 C ATOM 1392 CD GLU A 428 -9.292 7.154 -9.853 1.00 1.56 C ATOM 1393 OE1 GLU A 428 -9.647 7.625 -10.949 1.00 1.48 O ATOM 1394 OE2 GLU A 428 -9.753 6.093 -9.383 1.00 2.16 O1- ATOM 0 HA GLU A 428 -5.609 8.352 -11.225 1.00 0.22 H new ATOM 0 HB2 GLU A 428 -6.892 9.503 -9.325 1.00 0.34 H new ATOM 0 HB3 GLU A 428 -7.839 9.110 -10.746 1.00 0.34 H new ATOM 0 HG2 GLU A 428 -7.689 7.192 -8.450 1.00 1.11 H new ATOM 0 HG3 GLU A 428 -8.749 8.585 -8.371 1.00 1.11 H new ATOM 1401 N TYR A 429 -4.367 8.563 -9.088 1.00 0.17 N ATOM 1402 CA TYR A 429 -3.478 8.682 -7.951 1.00 0.14 C ATOM 1403 C TYR A 429 -3.011 10.099 -7.948 1.00 0.17 C ATOM 1404 O TYR A 429 -2.540 10.612 -8.966 1.00 0.21 O ATOM 1405 CB TYR A 429 -2.230 7.804 -7.950 1.00 0.12 C ATOM 1406 CG TYR A 429 -2.409 6.435 -8.527 1.00 0.13 C ATOM 1407 CD1 TYR A 429 -2.571 6.256 -9.884 1.00 0.18 C ATOM 1408 CD2 TYR A 429 -2.408 5.322 -7.703 1.00 0.15 C ATOM 1409 CE1 TYR A 429 -2.733 4.994 -10.413 1.00 0.25 C ATOM 1410 CE2 TYR A 429 -2.567 4.063 -8.218 1.00 0.20 C ATOM 1411 CZ TYR A 429 -2.745 3.920 -9.609 1.00 0.25 C ATOM 1412 OH TYR A 429 -2.908 2.645 -10.078 1.00 0.33 O ATOM 0 H TYR A 429 -4.259 9.325 -9.757 1.00 0.17 H new ATOM 0 HA TYR A 429 -4.052 8.358 -7.083 1.00 0.14 H new ATOM 0 HB2 TYR A 429 -1.446 8.316 -8.508 1.00 0.12 H new ATOM 0 HB3 TYR A 429 -1.877 7.704 -6.923 1.00 0.12 H new ATOM 0 HD1 TYR A 429 -2.571 7.114 -10.540 1.00 0.18 H new ATOM 0 HD2 TYR A 429 -2.280 5.449 -6.638 1.00 0.15 H new ATOM 0 HE1 TYR A 429 -2.851 4.869 -11.479 1.00 0.25 H new ATOM 0 HE2 TYR A 429 -2.556 3.198 -7.572 1.00 0.20 H new ATOM 0 HH TYR A 429 -3.647 2.213 -9.601 1.00 0.33 H new ATOM 1422 N GLY A 430 -3.142 10.723 -6.837 1.00 0.15 N ATOM 1423 CA GLY A 430 -2.769 12.104 -6.745 1.00 0.17 C ATOM 1424 C GLY A 430 -3.258 12.687 -5.476 1.00 0.17 C ATOM 1425 O GLY A 430 -3.456 11.951 -4.509 1.00 0.16 O ATOM 0 H GLY A 430 -3.502 10.311 -5.976 1.00 0.15 H new ATOM 0 HA2 GLY A 430 -1.685 12.199 -6.802 1.00 0.17 H new ATOM 0 HA3 GLY A 430 -3.182 12.656 -7.589 1.00 0.17 H new ATOM 1429 N GLY A 431 -3.395 14.003 -5.449 1.00 0.19 N ATOM 1430 CA GLY A 431 -4.109 14.632 -4.368 1.00 0.21 C ATOM 1431 C GLY A 431 -5.387 13.910 -4.057 1.00 0.19 C ATOM 1432 O GLY A 431 -5.847 13.054 -4.819 1.00 0.18 O ATOM 0 H GLY A 431 -3.025 14.641 -6.154 1.00 0.19 H new ATOM 0 HA2 GLY A 431 -3.478 14.656 -3.479 1.00 0.21 H new ATOM 0 HA3 GLY A 431 -4.329 15.667 -4.630 1.00 0.21 H new ATOM 1436 N ASP A 432 -6.015 14.352 -3.013 1.00 0.21 N ATOM 1437 CA ASP A 432 -6.879 13.512 -2.230 1.00 0.21 C ATOM 1438 C ASP A 432 -7.926 12.767 -3.051 1.00 0.18 C ATOM 1439 O ASP A 432 -8.930 13.301 -3.511 1.00 0.23 O ATOM 1440 CB ASP A 432 -7.536 14.389 -1.180 1.00 0.25 C ATOM 1441 CG ASP A 432 -8.382 15.515 -1.757 1.00 1.10 C ATOM 1442 OD1 ASP A 432 -7.805 16.561 -2.129 1.00 1.14 O ATOM 1443 OD2 ASP A 432 -9.621 15.370 -1.821 1.00 1.85 O1- ATOM 0 H ASP A 432 -5.945 15.312 -2.674 1.00 0.21 H new ATOM 0 HA ASP A 432 -6.275 12.727 -1.774 1.00 0.21 H new ATOM 0 HB2 ASP A 432 -8.164 13.767 -0.542 1.00 0.25 H new ATOM 0 HB3 ASP A 432 -6.762 14.819 -0.544 1.00 0.25 H new ATOM 1448 N LEU A 433 -7.608 11.492 -3.248 1.00 0.14 N ATOM 1449 CA LEU A 433 -8.529 10.510 -3.774 1.00 0.13 C ATOM 1450 C LEU A 433 -9.163 9.738 -2.633 1.00 0.12 C ATOM 1451 O LEU A 433 -10.314 9.383 -2.676 1.00 0.14 O ATOM 1452 CB LEU A 433 -7.822 9.509 -4.697 1.00 0.15 C ATOM 1453 CG LEU A 433 -7.634 9.865 -6.145 1.00 0.39 C ATOM 1454 CD1 LEU A 433 -8.153 11.220 -6.479 1.00 1.21 C ATOM 1455 CD2 LEU A 433 -6.215 9.703 -6.517 1.00 1.08 C ATOM 0 H LEU A 433 -6.684 11.112 -3.041 1.00 0.14 H new ATOM 0 HA LEU A 433 -9.286 11.046 -4.347 1.00 0.13 H new ATOM 0 HB2 LEU A 433 -6.836 9.311 -4.275 1.00 0.15 H new ATOM 0 HB3 LEU A 433 -8.379 8.573 -4.657 1.00 0.15 H new ATOM 0 HG LEU A 433 -8.231 9.175 -6.741 1.00 0.39 H new ATOM 0 HD11 LEU A 433 -7.990 11.421 -7.538 1.00 1.21 H new ATOM 0 HD12 LEU A 433 -9.220 11.265 -6.262 1.00 1.21 H new ATOM 0 HD13 LEU A 433 -7.630 11.967 -5.882 1.00 1.21 H new ATOM 0 HD21 LEU A 433 -6.082 9.962 -7.567 1.00 1.08 H new ATOM 0 HD22 LEU A 433 -5.600 10.359 -5.901 1.00 1.08 H new ATOM 0 HD23 LEU A 433 -5.913 8.668 -6.358 1.00 1.08 H new ATOM 1467 N TRP A 434 -8.363 9.471 -1.613 1.00 0.10 N ATOM 1468 CA TRP A 434 -8.744 8.571 -0.523 1.00 0.10 C ATOM 1469 C TRP A 434 -10.065 8.967 0.116 1.00 0.11 C ATOM 1470 O TRP A 434 -10.770 8.136 0.670 1.00 0.15 O ATOM 1471 CB TRP A 434 -7.625 8.537 0.521 1.00 0.10 C ATOM 1472 CG TRP A 434 -7.374 9.863 1.121 1.00 0.10 C ATOM 1473 CD1 TRP A 434 -6.529 10.826 0.667 1.00 0.11 C ATOM 1474 CD2 TRP A 434 -8.005 10.378 2.282 1.00 0.12 C ATOM 1475 NE1 TRP A 434 -6.651 11.948 1.454 1.00 0.13 N ATOM 1476 CE2 TRP A 434 -7.538 11.682 2.462 1.00 0.13 C ATOM 1477 CE3 TRP A 434 -8.935 9.862 3.180 1.00 0.13 C ATOM 1478 CZ2 TRP A 434 -7.979 12.480 3.503 1.00 0.16 C ATOM 1479 CZ3 TRP A 434 -9.366 10.654 4.209 1.00 0.14 C ATOM 1480 CH2 TRP A 434 -8.892 11.952 4.362 1.00 0.16 C ATOM 0 H TRP A 434 -7.430 9.870 -1.512 1.00 0.10 H new ATOM 0 HA TRP A 434 -8.887 7.575 -0.941 1.00 0.10 H new ATOM 0 HB2 TRP A 434 -7.887 7.829 1.307 1.00 0.10 H new ATOM 0 HB3 TRP A 434 -6.709 8.172 0.056 1.00 0.10 H new ATOM 0 HD1 TRP A 434 -5.865 10.726 -0.179 1.00 0.11 H new ATOM 0 HE1 TRP A 434 -6.162 12.831 1.310 1.00 0.13 H new ATOM 0 HE3 TRP A 434 -9.309 8.855 3.067 1.00 0.13 H new ATOM 0 HZ2 TRP A 434 -7.611 13.487 3.629 1.00 0.16 H new ATOM 0 HZ3 TRP A 434 -10.086 10.265 4.914 1.00 0.14 H new ATOM 0 HH2 TRP A 434 -9.257 12.554 5.181 1.00 0.16 H new ATOM 1491 N LYS A 435 -10.383 10.250 0.040 1.00 0.12 N ATOM 1492 CA LYS A 435 -11.590 10.765 0.642 1.00 0.14 C ATOM 1493 C LYS A 435 -12.766 10.740 -0.304 1.00 0.17 C ATOM 1494 O LYS A 435 -13.905 10.541 0.101 1.00 0.20 O ATOM 1495 CB LYS A 435 -11.344 12.183 1.111 1.00 0.15 C ATOM 1496 CG LYS A 435 -10.020 12.705 0.643 1.00 0.15 C ATOM 1497 CD LYS A 435 -9.711 14.052 1.207 1.00 0.17 C ATOM 1498 CE LYS A 435 -10.334 14.254 2.564 1.00 0.18 C ATOM 1499 NZ LYS A 435 -9.988 15.569 3.167 1.00 0.22 N1+ ATOM 0 H LYS A 435 -9.816 10.951 -0.436 1.00 0.12 H new ATOM 0 HA LYS A 435 -11.842 10.119 1.483 1.00 0.14 H new ATOM 0 HB2 LYS A 435 -12.140 12.830 0.743 1.00 0.15 H new ATOM 0 HB3 LYS A 435 -11.383 12.217 2.200 1.00 0.15 H new ATOM 0 HG2 LYS A 435 -9.235 12.005 0.928 1.00 0.15 H new ATOM 0 HG3 LYS A 435 -10.018 12.760 -0.446 1.00 0.15 H new ATOM 0 HD2 LYS A 435 -8.630 14.174 1.283 1.00 0.17 H new ATOM 0 HD3 LYS A 435 -10.071 14.822 0.525 1.00 0.17 H new ATOM 0 HE2 LYS A 435 -11.418 14.173 2.477 1.00 0.18 H new ATOM 0 HE3 LYS A 435 -10.007 13.456 3.231 1.00 0.18 H new ATOM 0 HZ1 LYS A 435 -10.443 15.654 4.098 1.00 0.22 H new ATOM 0 HZ2 LYS A 435 -8.956 15.639 3.278 1.00 0.22 H new ATOM 0 HZ3 LYS A 435 -10.323 16.334 2.547 1.00 0.22 H new ATOM 1513 N THR A 436 -12.476 10.981 -1.553 1.00 0.16 N ATOM 1514 CA THR A 436 -13.499 11.063 -2.581 1.00 0.19 C ATOM 1515 C THR A 436 -13.752 9.697 -3.208 1.00 0.19 C ATOM 1516 O THR A 436 -14.892 9.291 -3.441 1.00 0.22 O ATOM 1517 CB THR A 436 -13.055 12.078 -3.653 1.00 0.23 C ATOM 1518 OG1 THR A 436 -12.212 11.461 -4.631 1.00 0.25 O ATOM 1519 CG2 THR A 436 -12.273 13.181 -2.984 1.00 0.21 C ATOM 0 H THR A 436 -11.526 11.127 -1.896 1.00 0.16 H new ATOM 0 HA THR A 436 -14.434 11.396 -2.130 1.00 0.19 H new ATOM 0 HB THR A 436 -13.945 12.467 -4.148 1.00 0.23 H new ATOM 0 HG1 THR A 436 -12.668 11.454 -5.498 1.00 0.25 H new ATOM 0 HG21 THR A 436 -11.953 13.906 -3.733 1.00 0.21 H new ATOM 0 HG22 THR A 436 -12.902 13.676 -2.245 1.00 0.21 H new ATOM 0 HG23 THR A 436 -11.398 12.759 -2.491 1.00 0.21 H new ATOM 1527 N ARG A 437 -12.664 8.998 -3.460 1.00 0.18 N ATOM 1528 CA ARG A 437 -12.691 7.685 -4.074 1.00 0.20 C ATOM 1529 C ARG A 437 -12.715 6.617 -2.990 1.00 0.20 C ATOM 1530 O ARG A 437 -13.074 5.472 -3.252 1.00 0.24 O ATOM 1531 CB ARG A 437 -11.446 7.558 -4.948 1.00 0.24 C ATOM 1532 CG ARG A 437 -11.001 8.867 -5.468 1.00 0.27 C ATOM 1533 CD ARG A 437 -10.391 8.739 -6.821 1.00 0.40 C ATOM 1534 NE ARG A 437 -11.409 8.618 -7.857 1.00 0.71 N ATOM 1535 CZ ARG A 437 -11.548 9.457 -8.882 1.00 1.26 C ATOM 1536 NH1 ARG A 437 -10.738 10.503 -9.014 1.00 1.82 N1+ ATOM 1537 NH2 ARG A 437 -12.504 9.251 -9.775 1.00 1.47 N ATOM 0 H ARG A 437 -11.724 9.329 -3.242 1.00 0.18 H new ATOM 0 HA ARG A 437 -13.582 7.553 -4.687 1.00 0.20 H new ATOM 0 HB2 ARG A 437 -10.641 7.105 -4.369 1.00 0.24 H new ATOM 0 HB3 ARG A 437 -11.655 6.888 -5.782 1.00 0.24 H new ATOM 0 HG2 ARG A 437 -11.850 9.549 -5.514 1.00 0.27 H new ATOM 0 HG3 ARG A 437 -10.277 9.305 -4.781 1.00 0.27 H new ATOM 0 HD2 ARG A 437 -9.766 9.609 -7.023 1.00 0.40 H new ATOM 0 HD3 ARG A 437 -9.739 7.866 -6.846 1.00 0.40 H new ATOM 0 HE ARG A 437 -12.061 7.836 -7.793 1.00 0.71 H new ATOM 0 HH11 ARG A 437 -10.002 10.668 -8.327 1.00 1.82 H new ATOM 0 HH12 ARG A 437 -10.852 11.140 -9.802 1.00 1.82 H new ATOM 0 HH21 ARG A 437 -13.131 8.452 -9.676 1.00 1.47 H new ATOM 0 HH22 ARG A 437 -12.614 9.891 -10.561 1.00 1.47 H new ATOM 1551 N GLY A 438 -12.327 7.014 -1.779 1.00 0.17 N ATOM 1552 CA GLY A 438 -12.667 6.267 -0.585 1.00 0.18 C ATOM 1553 C GLY A 438 -12.342 4.782 -0.623 1.00 0.21 C ATOM 1554 O GLY A 438 -13.210 3.965 -0.302 1.00 0.24 O ATOM 0 H GLY A 438 -11.775 7.854 -1.606 1.00 0.17 H new ATOM 0 HA2 GLY A 438 -12.145 6.713 0.262 1.00 0.18 H new ATOM 0 HA3 GLY A 438 -13.735 6.382 -0.398 1.00 0.18 H new ATOM 1558 N SER A 439 -11.139 4.396 -1.009 1.00 0.22 N ATOM 1559 CA SER A 439 -10.883 2.974 -1.174 1.00 0.27 C ATOM 1560 C SER A 439 -10.523 2.309 0.155 1.00 0.27 C ATOM 1561 O SER A 439 -9.450 2.548 0.706 1.00 0.27 O ATOM 1562 CB SER A 439 -9.757 2.744 -2.181 1.00 0.31 C ATOM 1563 OG SER A 439 -10.043 3.364 -3.426 1.00 1.01 O ATOM 0 H SER A 439 -10.353 5.015 -1.207 1.00 0.22 H new ATOM 0 HA SER A 439 -11.802 2.521 -1.547 1.00 0.27 H new ATOM 0 HB2 SER A 439 -8.823 3.139 -1.782 1.00 0.31 H new ATOM 0 HB3 SER A 439 -9.613 1.674 -2.330 1.00 0.31 H new ATOM 0 HG SER A 439 -9.245 3.340 -3.994 1.00 1.01 H new ATOM 1569 N HIS A 440 -11.436 1.451 0.633 1.00 0.29 N ATOM 1570 CA HIS A 440 -11.248 0.650 1.852 1.00 0.32 C ATOM 1571 C HIS A 440 -10.474 1.383 2.955 1.00 0.28 C ATOM 1572 O HIS A 440 -10.929 2.396 3.490 1.00 0.34 O ATOM 1573 CB HIS A 440 -10.529 -0.661 1.535 1.00 0.36 C ATOM 1574 CG HIS A 440 -11.381 -1.740 0.956 1.00 0.40 C ATOM 1575 ND1 HIS A 440 -12.556 -2.161 1.535 1.00 0.45 N ATOM 1576 CD2 HIS A 440 -11.193 -2.523 -0.133 1.00 0.42 C ATOM 1577 CE1 HIS A 440 -13.054 -3.157 0.832 1.00 0.50 C ATOM 1578 NE2 HIS A 440 -12.250 -3.395 -0.188 1.00 0.48 N ATOM 0 H HIS A 440 -12.336 1.292 0.179 1.00 0.29 H new ATOM 0 HA HIS A 440 -12.252 0.455 2.228 1.00 0.32 H new ATOM 0 HB2 HIS A 440 -9.718 -0.450 0.838 1.00 0.36 H new ATOM 0 HB3 HIS A 440 -10.073 -1.035 2.452 1.00 0.36 H new ATOM 0 HD2 HIS A 440 -10.367 -2.471 -0.827 1.00 0.42 H new ATOM 0 HE1 HIS A 440 -13.967 -3.690 1.053 1.00 0.50 H new ATOM 0 HE2 HIS A 440 -12.392 -4.111 -0.901 1.00 0.48 H new ATOM 1587 N GLY A 441 -9.295 0.851 3.277 1.00 0.23 N ATOM 1588 CA GLY A 441 -8.512 1.355 4.383 1.00 0.22 C ATOM 1589 C GLY A 441 -7.029 1.472 4.076 1.00 0.17 C ATOM 1590 O GLY A 441 -6.321 2.204 4.764 1.00 0.26 O ATOM 0 H GLY A 441 -8.868 0.069 2.780 1.00 0.23 H new ATOM 0 HA2 GLY A 441 -8.893 2.335 4.670 1.00 0.22 H new ATOM 0 HA3 GLY A 441 -8.646 0.697 5.241 1.00 0.22 H new ATOM 1594 N CYS A 442 -6.540 0.754 3.061 1.00 0.10 N ATOM 1595 CA CYS A 442 -5.115 0.745 2.775 1.00 0.15 C ATOM 1596 C CYS A 442 -4.734 1.716 1.665 1.00 0.13 C ATOM 1597 O CYS A 442 -5.479 2.628 1.328 1.00 0.21 O ATOM 1598 CB CYS A 442 -4.651 -0.658 2.396 1.00 0.24 C ATOM 1599 SG CYS A 442 -5.473 -1.338 0.942 1.00 0.35 S ATOM 0 H CYS A 442 -7.106 0.181 2.435 1.00 0.10 H new ATOM 0 HA CYS A 442 -4.616 1.068 3.689 1.00 0.15 H new ATOM 0 HB2 CYS A 442 -3.576 -0.637 2.216 1.00 0.24 H new ATOM 0 HB3 CYS A 442 -4.820 -1.326 3.241 1.00 0.24 H new ATOM 0 HG CYS A 442 -5.011 -2.529 0.699 1.00 0.35 H new ATOM 1604 N ILE A 443 -3.503 1.560 1.183 1.00 0.09 N ATOM 1605 CA ILE A 443 -2.926 2.457 0.195 1.00 0.07 C ATOM 1606 C ILE A 443 -3.024 1.854 -1.192 1.00 0.08 C ATOM 1607 O ILE A 443 -2.636 0.707 -1.409 1.00 0.12 O ATOM 1608 CB ILE A 443 -1.440 2.758 0.504 1.00 0.07 C ATOM 1609 CG1 ILE A 443 -1.271 3.694 1.713 1.00 0.09 C ATOM 1610 CG2 ILE A 443 -0.748 3.367 -0.715 1.00 0.07 C ATOM 1611 CD1 ILE A 443 -1.679 3.111 3.051 1.00 0.11 C ATOM 0 H ILE A 443 -2.880 0.805 1.470 1.00 0.09 H new ATOM 0 HA ILE A 443 -3.492 3.388 0.236 1.00 0.07 H new ATOM 0 HB ILE A 443 -0.973 1.805 0.752 1.00 0.07 H new ATOM 0 HG12 ILE A 443 -0.226 3.998 1.772 1.00 0.09 H new ATOM 0 HG13 ILE A 443 -1.856 4.597 1.536 1.00 0.09 H new ATOM 0 HG21 ILE A 443 0.296 3.571 -0.477 1.00 0.07 H new ATOM 0 HG22 ILE A 443 -0.800 2.668 -1.550 1.00 0.07 H new ATOM 0 HG23 ILE A 443 -1.246 4.297 -0.989 1.00 0.07 H new ATOM 0 HD11 ILE A 443 -1.520 3.852 3.834 1.00 0.11 H new ATOM 0 HD12 ILE A 443 -2.733 2.835 3.021 1.00 0.11 H new ATOM 0 HD13 ILE A 443 -1.078 2.226 3.261 1.00 0.11 H new ATOM 1623 N ASN A 444 -3.528 2.640 -2.125 1.00 0.08 N ATOM 1624 CA ASN A 444 -3.710 2.183 -3.492 1.00 0.08 C ATOM 1625 C ASN A 444 -2.600 2.725 -4.379 1.00 0.07 C ATOM 1626 O ASN A 444 -2.663 3.854 -4.861 1.00 0.11 O ATOM 1627 CB ASN A 444 -5.079 2.601 -4.024 1.00 0.11 C ATOM 1628 CG ASN A 444 -6.231 1.769 -3.477 1.00 0.27 C ATOM 1629 OD1 ASN A 444 -7.259 1.610 -4.139 1.00 0.62 O ATOM 1630 ND2 ASN A 444 -6.071 1.212 -2.285 1.00 0.15 N ATOM 0 H ASN A 444 -3.820 3.603 -1.961 1.00 0.08 H new ATOM 0 HA ASN A 444 -3.662 1.094 -3.503 1.00 0.08 H new ATOM 0 HB2 ASN A 444 -5.250 3.649 -3.777 1.00 0.11 H new ATOM 0 HB3 ASN A 444 -5.074 2.527 -5.111 1.00 0.11 H new ATOM 0 HD21 ASN A 444 -6.811 0.632 -1.890 1.00 0.15 H new ATOM 0 HD22 ASN A 444 -5.208 1.364 -1.763 1.00 0.15 H new ATOM 1637 N THR A 445 -1.573 1.919 -4.540 1.00 0.08 N ATOM 1638 CA THR A 445 -0.400 2.256 -5.303 1.00 0.08 C ATOM 1639 C THR A 445 -0.519 1.851 -6.768 1.00 0.08 C ATOM 1640 O THR A 445 -1.139 0.864 -7.098 1.00 0.10 O ATOM 1641 CB THR A 445 0.779 1.535 -4.658 1.00 0.06 C ATOM 1642 OG1 THR A 445 0.694 1.629 -3.228 1.00 0.09 O ATOM 1643 CG2 THR A 445 2.065 2.126 -5.105 1.00 0.06 C ATOM 0 H THR A 445 -1.534 0.986 -4.130 1.00 0.08 H new ATOM 0 HA THR A 445 -0.267 3.338 -5.294 1.00 0.08 H new ATOM 0 HB THR A 445 0.741 0.489 -4.962 1.00 0.06 H new ATOM 0 HG1 THR A 445 1.569 1.878 -2.864 1.00 0.09 H new ATOM 0 HG21 THR A 445 2.892 1.597 -4.633 1.00 0.06 H new ATOM 0 HG22 THR A 445 2.149 2.038 -6.188 1.00 0.06 H new ATOM 0 HG23 THR A 445 2.099 3.178 -4.823 1.00 0.06 H new ATOM 1651 N PRO A 446 0.049 2.669 -7.659 1.00 0.08 N ATOM 1652 CA PRO A 446 0.136 2.387 -9.098 1.00 0.10 C ATOM 1653 C PRO A 446 0.730 1.035 -9.408 1.00 0.14 C ATOM 1654 O PRO A 446 1.628 0.548 -8.718 1.00 0.24 O ATOM 1655 CB PRO A 446 1.051 3.496 -9.608 1.00 0.10 C ATOM 1656 CG PRO A 446 0.852 4.613 -8.658 1.00 0.08 C ATOM 1657 CD PRO A 446 0.620 3.979 -7.328 1.00 0.07 C ATOM 0 HA PRO A 446 -0.850 2.363 -9.562 1.00 0.10 H new ATOM 0 HB2 PRO A 446 2.092 3.173 -9.627 1.00 0.10 H new ATOM 0 HB3 PRO A 446 0.789 3.789 -10.625 1.00 0.10 H new ATOM 0 HG2 PRO A 446 1.725 5.265 -8.633 1.00 0.08 H new ATOM 0 HG3 PRO A 446 0.002 5.229 -8.951 1.00 0.08 H new ATOM 0 HD2 PRO A 446 1.548 3.880 -6.765 1.00 0.07 H new ATOM 0 HD3 PRO A 446 -0.062 4.570 -6.717 1.00 0.07 H new ATOM 1665 N PRO A 447 0.230 0.419 -10.475 1.00 0.12 N ATOM 1666 CA PRO A 447 0.623 -0.918 -10.869 1.00 0.12 C ATOM 1667 C PRO A 447 2.078 -0.988 -11.312 1.00 0.14 C ATOM 1668 O PRO A 447 2.753 -2.001 -11.129 1.00 0.31 O ATOM 1669 CB PRO A 447 -0.296 -1.226 -12.040 1.00 0.15 C ATOM 1670 CG PRO A 447 -1.414 -0.281 -11.894 1.00 0.14 C ATOM 1671 CD PRO A 447 -0.775 0.962 -11.399 1.00 0.13 C ATOM 0 HA PRO A 447 0.540 -1.624 -10.043 1.00 0.12 H new ATOM 0 HB2 PRO A 447 0.216 -1.090 -12.992 1.00 0.15 H new ATOM 0 HB3 PRO A 447 -0.644 -2.259 -12.010 1.00 0.15 H new ATOM 0 HG2 PRO A 447 -1.923 -0.116 -12.844 1.00 0.14 H new ATOM 0 HG3 PRO A 447 -2.161 -0.652 -11.192 1.00 0.14 H new ATOM 0 HD2 PRO A 447 -0.323 1.541 -12.204 1.00 0.13 H new ATOM 0 HD3 PRO A 447 -1.486 1.617 -10.895 1.00 0.13 H new ATOM 1679 N SER A 448 2.562 0.109 -11.871 1.00 0.12 N ATOM 1680 CA SER A 448 3.910 0.173 -12.401 1.00 0.11 C ATOM 1681 C SER A 448 4.956 0.197 -11.286 1.00 0.09 C ATOM 1682 O SER A 448 6.113 -0.129 -11.495 1.00 0.09 O ATOM 1683 CB SER A 448 4.047 1.421 -13.265 1.00 0.14 C ATOM 1684 OG SER A 448 2.986 1.504 -14.205 1.00 1.10 O ATOM 0 H SER A 448 2.033 0.975 -11.969 1.00 0.12 H new ATOM 0 HA SER A 448 4.086 -0.722 -12.998 1.00 0.11 H new ATOM 0 HB2 SER A 448 4.048 2.308 -12.632 1.00 0.14 H new ATOM 0 HB3 SER A 448 5.002 1.402 -13.789 1.00 0.14 H new ATOM 0 HG SER A 448 3.092 2.313 -14.748 1.00 1.10 H new ATOM 1690 N VAL A 449 4.549 0.636 -10.103 1.00 0.07 N ATOM 1691 CA VAL A 449 5.492 0.890 -9.035 1.00 0.06 C ATOM 1692 C VAL A 449 5.543 -0.220 -8.026 1.00 0.05 C ATOM 1693 O VAL A 449 6.602 -0.704 -7.693 1.00 0.05 O ATOM 1694 CB VAL A 449 5.168 2.212 -8.366 1.00 0.06 C ATOM 1695 CG1 VAL A 449 5.216 3.295 -9.404 1.00 0.08 C ATOM 1696 CG2 VAL A 449 3.821 2.150 -7.712 1.00 0.06 C ATOM 0 H VAL A 449 3.575 0.822 -9.864 1.00 0.07 H new ATOM 0 HA VAL A 449 6.484 0.942 -9.483 1.00 0.06 H new ATOM 0 HB VAL A 449 5.899 2.426 -7.587 1.00 0.06 H new ATOM 0 HG11 VAL A 449 4.985 4.254 -8.940 1.00 0.08 H new ATOM 0 HG12 VAL A 449 6.213 3.335 -9.843 1.00 0.08 H new ATOM 0 HG13 VAL A 449 4.485 3.084 -10.184 1.00 0.08 H new ATOM 0 HG21 VAL A 449 3.603 3.106 -7.236 1.00 0.06 H new ATOM 0 HG22 VAL A 449 3.061 1.937 -8.464 1.00 0.06 H new ATOM 0 HG23 VAL A 449 3.818 1.361 -6.960 1.00 0.06 H new ATOM 1706 N MET A 450 4.417 -0.653 -7.544 1.00 0.05 N ATOM 1707 CA MET A 450 4.420 -1.696 -6.544 1.00 0.05 C ATOM 1708 C MET A 450 4.916 -3.001 -7.145 1.00 0.05 C ATOM 1709 O MET A 450 5.082 -3.995 -6.441 1.00 0.06 O ATOM 1710 CB MET A 450 3.058 -1.833 -5.880 1.00 0.07 C ATOM 1711 CG MET A 450 3.008 -1.343 -4.435 1.00 0.06 C ATOM 1712 SD MET A 450 3.281 -2.652 -3.221 1.00 0.06 S ATOM 1713 CE MET A 450 2.966 -4.106 -4.190 1.00 0.05 C ATOM 0 H MET A 450 3.495 -0.312 -7.816 1.00 0.05 H new ATOM 0 HA MET A 450 5.115 -1.420 -5.751 1.00 0.05 H new ATOM 0 HB2 MET A 450 2.325 -1.277 -6.465 1.00 0.07 H new ATOM 0 HB3 MET A 450 2.759 -2.881 -5.906 1.00 0.07 H new ATOM 0 HG2 MET A 450 3.761 -0.567 -4.296 1.00 0.06 H new ATOM 0 HG3 MET A 450 2.038 -0.882 -4.249 1.00 0.06 H new ATOM 0 HE1 MET A 450 2.816 -4.959 -3.528 1.00 0.05 H new ATOM 0 HE2 MET A 450 2.072 -3.954 -4.794 1.00 0.05 H new ATOM 0 HE3 MET A 450 3.817 -4.299 -4.843 1.00 0.05 H new ATOM 1723 N LYS A 451 5.207 -2.986 -8.427 1.00 0.05 N ATOM 1724 CA LYS A 451 5.816 -4.133 -9.044 1.00 0.05 C ATOM 1725 C LYS A 451 7.305 -4.093 -8.750 1.00 0.05 C ATOM 1726 O LYS A 451 7.950 -5.103 -8.453 1.00 0.06 O ATOM 1727 CB LYS A 451 5.590 -4.107 -10.534 1.00 0.06 C ATOM 1728 CG LYS A 451 6.352 -3.026 -11.161 1.00 0.06 C ATOM 1729 CD LYS A 451 6.168 -3.002 -12.627 1.00 0.08 C ATOM 1730 CE LYS A 451 7.237 -2.155 -13.235 1.00 0.10 C ATOM 1731 NZ LYS A 451 8.537 -2.865 -13.339 1.00 0.92 N1+ ATOM 0 H LYS A 451 5.033 -2.200 -9.053 1.00 0.05 H new ATOM 0 HA LYS A 451 5.374 -5.047 -8.647 1.00 0.05 H new ATOM 0 HB2 LYS A 451 5.885 -5.063 -10.967 1.00 0.06 H new ATOM 0 HB3 LYS A 451 4.528 -3.977 -10.742 1.00 0.06 H new ATOM 0 HG2 LYS A 451 6.040 -2.070 -10.740 1.00 0.06 H new ATOM 0 HG3 LYS A 451 7.410 -3.146 -10.930 1.00 0.06 H new ATOM 0 HD2 LYS A 451 6.215 -4.014 -13.029 1.00 0.08 H new ATOM 0 HD3 LYS A 451 5.184 -2.604 -12.877 1.00 0.08 H new ATOM 0 HE2 LYS A 451 6.921 -1.835 -14.228 1.00 0.10 H new ATOM 0 HE3 LYS A 451 7.366 -1.254 -12.636 1.00 0.10 H new ATOM 0 HZ1 LYS A 451 9.266 -2.333 -12.822 1.00 0.92 H new ATOM 0 HZ2 LYS A 451 8.447 -3.816 -12.929 1.00 0.92 H new ATOM 0 HZ3 LYS A 451 8.810 -2.944 -14.339 1.00 0.92 H new ATOM 1745 N GLU A 452 7.797 -2.852 -8.787 1.00 0.05 N ATOM 1746 CA GLU A 452 9.164 -2.512 -8.604 1.00 0.05 C ATOM 1747 C GLU A 452 9.517 -2.921 -7.236 1.00 0.05 C ATOM 1748 O GLU A 452 10.561 -3.480 -6.949 1.00 0.06 O ATOM 1749 CB GLU A 452 9.250 -1.013 -8.668 1.00 0.05 C ATOM 1750 CG GLU A 452 8.805 -0.442 -9.969 1.00 0.07 C ATOM 1751 CD GLU A 452 9.935 -0.178 -10.934 1.00 0.12 C ATOM 1752 OE1 GLU A 452 10.528 0.917 -10.870 1.00 0.25 O1- ATOM 1753 OE2 GLU A 452 10.230 -1.059 -11.766 1.00 0.24 O ATOM 0 H GLU A 452 7.206 -2.038 -8.955 1.00 0.05 H new ATOM 0 HA GLU A 452 9.813 -2.980 -9.344 1.00 0.05 H new ATOM 0 HB2 GLU A 452 8.642 -0.589 -7.869 1.00 0.05 H new ATOM 0 HB3 GLU A 452 10.280 -0.709 -8.481 1.00 0.05 H new ATOM 0 HG2 GLU A 452 8.096 -1.127 -10.433 1.00 0.07 H new ATOM 0 HG3 GLU A 452 8.272 0.491 -9.783 1.00 0.07 H new ATOM 1760 N LEU A 453 8.592 -2.527 -6.403 1.00 0.04 N ATOM 1761 CA LEU A 453 8.522 -2.867 -5.042 1.00 0.04 C ATOM 1762 C LEU A 453 8.705 -4.318 -4.810 1.00 0.05 C ATOM 1763 O LEU A 453 9.680 -4.713 -4.207 1.00 0.05 O ATOM 1764 CB LEU A 453 7.155 -2.474 -4.563 1.00 0.04 C ATOM 1765 CG LEU A 453 7.152 -1.873 -3.219 1.00 0.04 C ATOM 1766 CD1 LEU A 453 8.327 -1.003 -3.083 1.00 0.03 C ATOM 1767 CD2 LEU A 453 5.940 -1.064 -2.990 1.00 0.05 C ATOM 0 H LEU A 453 7.825 -1.921 -6.695 1.00 0.04 H new ATOM 0 HA LEU A 453 9.320 -2.352 -4.508 1.00 0.04 H new ATOM 0 HB2 LEU A 453 6.721 -1.766 -5.269 1.00 0.04 H new ATOM 0 HB3 LEU A 453 6.513 -3.355 -4.559 1.00 0.04 H new ATOM 0 HG LEU A 453 7.173 -2.680 -2.487 1.00 0.04 H new ATOM 0 HD11 LEU A 453 8.334 -0.553 -2.090 1.00 0.03 H new ATOM 0 HD12 LEU A 453 9.234 -1.592 -3.220 1.00 0.03 H new ATOM 0 HD13 LEU A 453 8.287 -0.217 -3.837 1.00 0.03 H new ATOM 0 HD21 LEU A 453 5.972 -0.636 -1.988 1.00 0.05 H new ATOM 0 HD22 LEU A 453 5.894 -0.261 -3.726 1.00 0.05 H new ATOM 0 HD23 LEU A 453 5.057 -1.696 -3.086 1.00 0.05 H new ATOM 1779 N PHE A 454 7.768 -5.099 -5.268 1.00 0.05 N ATOM 1780 CA PHE A 454 7.893 -6.555 -5.178 1.00 0.06 C ATOM 1781 C PHE A 454 9.296 -6.979 -5.625 1.00 0.07 C ATOM 1782 O PHE A 454 9.830 -8.004 -5.193 1.00 0.09 O ATOM 1783 CB PHE A 454 6.812 -7.255 -6.024 1.00 0.07 C ATOM 1784 CG PHE A 454 6.963 -8.760 -6.122 1.00 0.08 C ATOM 1785 CD1 PHE A 454 7.850 -9.358 -7.022 1.00 0.11 C ATOM 1786 CD2 PHE A 454 6.198 -9.586 -5.310 1.00 0.09 C ATOM 1787 CE1 PHE A 454 7.954 -10.733 -7.094 1.00 0.13 C ATOM 1788 CE2 PHE A 454 6.306 -10.960 -5.385 1.00 0.12 C ATOM 1789 CZ PHE A 454 7.295 -11.518 -6.327 1.00 0.12 C ATOM 0 H PHE A 454 6.908 -4.770 -5.708 1.00 0.05 H new ATOM 0 HA PHE A 454 7.745 -6.858 -4.141 1.00 0.06 H new ATOM 0 HB2 PHE A 454 5.834 -7.028 -5.600 1.00 0.07 H new ATOM 0 HB3 PHE A 454 6.828 -6.835 -7.030 1.00 0.07 H new ATOM 0 HD1 PHE A 454 8.458 -8.740 -7.666 1.00 0.11 H new ATOM 0 HD2 PHE A 454 5.506 -9.146 -4.607 1.00 0.09 H new ATOM 0 HE1 PHE A 454 8.619 -11.164 -7.828 1.00 0.13 H new ATOM 0 HE2 PHE A 454 5.689 -11.604 -4.776 1.00 0.12 H new ATOM 0 HZ PHE A 454 7.462 -12.584 -6.369 1.00 0.12 H new ATOM 1799 N GLY A 455 9.913 -6.114 -6.424 1.00 0.06 N ATOM 1800 CA GLY A 455 11.201 -6.410 -6.991 1.00 0.08 C ATOM 1801 C GLY A 455 12.331 -5.944 -6.098 1.00 0.08 C ATOM 1802 O GLY A 455 13.437 -6.468 -6.175 1.00 0.13 O ATOM 0 H GLY A 455 9.532 -5.205 -6.687 1.00 0.06 H new ATOM 0 HA2 GLY A 455 11.287 -7.484 -7.155 1.00 0.08 H new ATOM 0 HA3 GLY A 455 11.287 -5.931 -7.966 1.00 0.08 H new ATOM 1806 N MET A 456 12.065 -4.938 -5.260 1.00 0.06 N ATOM 1807 CA MET A 456 13.062 -4.467 -4.320 1.00 0.05 C ATOM 1808 C MET A 456 12.818 -4.924 -2.914 1.00 0.05 C ATOM 1809 O MET A 456 13.749 -5.322 -2.217 1.00 0.06 O ATOM 1810 CB MET A 456 13.177 -2.969 -4.326 1.00 0.05 C ATOM 1811 CG MET A 456 11.887 -2.268 -4.463 1.00 0.04 C ATOM 1812 SD MET A 456 11.928 -1.066 -5.782 1.00 0.05 S ATOM 1813 CE MET A 456 10.464 -0.209 -5.324 1.00 0.04 C ATOM 0 H MET A 456 11.174 -4.444 -5.220 1.00 0.06 H new ATOM 0 HA MET A 456 13.996 -4.910 -4.665 1.00 0.05 H new ATOM 0 HB2 MET A 456 13.656 -2.648 -3.401 1.00 0.05 H new ATOM 0 HB3 MET A 456 13.831 -2.669 -5.145 1.00 0.05 H new ATOM 0 HG2 MET A 456 11.097 -2.994 -4.656 1.00 0.04 H new ATOM 0 HG3 MET A 456 11.641 -1.771 -3.525 1.00 0.04 H new ATOM 0 HE1 MET A 456 9.667 -0.448 -6.028 1.00 0.04 H new ATOM 0 HE2 MET A 456 10.165 -0.511 -4.320 1.00 0.04 H new ATOM 0 HE3 MET A 456 10.651 0.865 -5.339 1.00 0.04 H new ATOM 1823 N VAL A 457 11.593 -4.845 -2.474 1.00 0.05 N ATOM 1824 CA VAL A 457 11.292 -5.263 -1.134 1.00 0.05 C ATOM 1825 C VAL A 457 11.322 -6.750 -1.015 1.00 0.07 C ATOM 1826 O VAL A 457 11.081 -7.495 -1.968 1.00 0.08 O ATOM 1827 CB VAL A 457 9.973 -4.694 -0.576 1.00 0.05 C ATOM 1828 CG1 VAL A 457 9.222 -3.896 -1.612 1.00 0.04 C ATOM 1829 CG2 VAL A 457 9.099 -5.786 0.015 1.00 0.05 C ATOM 0 H VAL A 457 10.799 -4.501 -3.013 1.00 0.05 H new ATOM 0 HA VAL A 457 12.082 -4.839 -0.514 1.00 0.05 H new ATOM 0 HB VAL A 457 10.239 -4.011 0.230 1.00 0.05 H new ATOM 0 HG11 VAL A 457 8.299 -3.513 -1.177 1.00 0.04 H new ATOM 0 HG12 VAL A 457 9.839 -3.062 -1.946 1.00 0.04 H new ATOM 0 HG13 VAL A 457 8.985 -4.535 -2.462 1.00 0.04 H new ATOM 0 HG21 VAL A 457 8.178 -5.347 0.398 1.00 0.05 H new ATOM 0 HG22 VAL A 457 8.859 -6.517 -0.757 1.00 0.05 H new ATOM 0 HG23 VAL A 457 9.632 -6.279 0.828 1.00 0.05 H new ATOM 1839 N GLU A 458 11.658 -7.154 0.172 1.00 0.08 N ATOM 1840 CA GLU A 458 11.799 -8.524 0.485 1.00 0.10 C ATOM 1841 C GLU A 458 10.866 -8.856 1.616 1.00 0.09 C ATOM 1842 O GLU A 458 10.447 -7.973 2.360 1.00 0.10 O ATOM 1843 CB GLU A 458 13.234 -8.779 0.907 1.00 0.13 C ATOM 1844 CG GLU A 458 14.074 -7.529 0.867 1.00 0.20 C ATOM 1845 CD GLU A 458 15.370 -7.651 1.634 1.00 0.27 C ATOM 1846 OE1 GLU A 458 16.187 -8.529 1.287 1.00 0.48 O1- ATOM 1847 OE2 GLU A 458 15.571 -6.883 2.597 1.00 0.46 O ATOM 0 H GLU A 458 11.842 -6.525 0.954 1.00 0.08 H new ATOM 0 HA GLU A 458 11.559 -9.144 -0.378 1.00 0.10 H new ATOM 0 HB2 GLU A 458 13.246 -9.189 1.917 1.00 0.13 H new ATOM 0 HB3 GLU A 458 13.674 -9.531 0.252 1.00 0.13 H new ATOM 0 HG2 GLU A 458 14.297 -7.283 -0.171 1.00 0.20 H new ATOM 0 HG3 GLU A 458 13.496 -6.699 1.274 1.00 0.20 H new ATOM 1854 N LYS A 459 10.499 -10.117 1.707 1.00 0.11 N ATOM 1855 CA LYS A 459 9.774 -10.602 2.847 1.00 0.13 C ATOM 1856 C LYS A 459 10.542 -10.305 4.097 1.00 0.15 C ATOM 1857 O LYS A 459 11.493 -11.004 4.454 1.00 0.18 O ATOM 1858 CB LYS A 459 9.516 -12.075 2.732 1.00 0.16 C ATOM 1859 CG LYS A 459 8.848 -12.398 1.449 1.00 0.22 C ATOM 1860 CD LYS A 459 8.309 -13.787 1.493 1.00 0.70 C ATOM 1861 CE LYS A 459 9.379 -14.815 1.161 1.00 0.40 C ATOM 1862 NZ LYS A 459 8.842 -16.200 1.122 1.00 0.99 N1+ ATOM 0 H LYS A 459 10.695 -10.823 0.997 1.00 0.11 H new ATOM 0 HA LYS A 459 8.810 -10.094 2.888 1.00 0.13 H new ATOM 0 HB2 LYS A 459 10.458 -12.619 2.803 1.00 0.16 H new ATOM 0 HB3 LYS A 459 8.893 -12.405 3.564 1.00 0.16 H new ATOM 0 HG2 LYS A 459 8.040 -11.691 1.262 1.00 0.22 H new ATOM 0 HG3 LYS A 459 9.555 -12.299 0.626 1.00 0.22 H new ATOM 0 HD2 LYS A 459 7.905 -13.989 2.485 1.00 0.70 H new ATOM 0 HD3 LYS A 459 7.483 -13.880 0.787 1.00 0.70 H new ATOM 0 HE2 LYS A 459 9.824 -14.573 0.196 1.00 0.40 H new ATOM 0 HE3 LYS A 459 10.176 -14.758 1.902 1.00 0.40 H new ATOM 0 HZ1 LYS A 459 9.609 -16.863 0.892 1.00 0.99 H new ATOM 0 HZ2 LYS A 459 8.441 -16.443 2.050 1.00 0.99 H new ATOM 0 HZ3 LYS A 459 8.100 -16.264 0.396 1.00 0.99 H new ATOM 1876 N GLY A 460 10.086 -9.281 4.763 1.00 0.15 N ATOM 1877 CA GLY A 460 10.747 -8.815 5.954 1.00 0.19 C ATOM 1878 C GLY A 460 11.033 -7.334 5.891 1.00 0.15 C ATOM 1879 O GLY A 460 11.461 -6.732 6.870 1.00 0.17 O ATOM 0 H GLY A 460 9.256 -8.750 4.501 1.00 0.15 H new ATOM 0 HA2 GLY A 460 10.125 -9.029 6.823 1.00 0.19 H new ATOM 0 HA3 GLY A 460 11.681 -9.361 6.089 1.00 0.19 H new ATOM 1883 N THR A 461 10.815 -6.751 4.725 1.00 0.12 N ATOM 1884 CA THR A 461 10.888 -5.325 4.556 1.00 0.07 C ATOM 1885 C THR A 461 9.732 -4.682 5.306 1.00 0.08 C ATOM 1886 O THR A 461 8.691 -5.302 5.495 1.00 0.13 O ATOM 1887 CB THR A 461 10.846 -4.983 3.045 1.00 0.06 C ATOM 1888 OG1 THR A 461 12.097 -5.319 2.429 1.00 0.08 O ATOM 1889 CG2 THR A 461 10.518 -3.524 2.801 1.00 0.05 C ATOM 0 H THR A 461 10.583 -7.261 3.873 1.00 0.12 H new ATOM 0 HA THR A 461 11.822 -4.937 4.962 1.00 0.07 H new ATOM 0 HB THR A 461 10.049 -5.576 2.596 1.00 0.06 H new ATOM 0 HG1 THR A 461 12.262 -4.716 1.674 1.00 0.08 H new ATOM 0 HG21 THR A 461 10.499 -3.330 1.729 1.00 0.05 H new ATOM 0 HG22 THR A 461 9.542 -3.294 3.229 1.00 0.05 H new ATOM 0 HG23 THR A 461 11.276 -2.897 3.270 1.00 0.05 H new ATOM 1897 N PRO A 462 9.899 -3.467 5.811 1.00 0.09 N ATOM 1898 CA PRO A 462 8.852 -2.770 6.479 1.00 0.14 C ATOM 1899 C PRO A 462 8.126 -1.879 5.505 1.00 0.13 C ATOM 1900 O PRO A 462 8.667 -1.499 4.467 1.00 0.18 O ATOM 1901 CB PRO A 462 9.611 -1.945 7.523 1.00 0.18 C ATOM 1902 CG PRO A 462 11.062 -2.125 7.198 1.00 0.13 C ATOM 1903 CD PRO A 462 11.099 -2.646 5.812 1.00 0.09 C ATOM 0 HA PRO A 462 8.094 -3.418 6.918 1.00 0.14 H new ATOM 0 HB2 PRO A 462 9.326 -0.894 7.476 1.00 0.18 H new ATOM 0 HB3 PRO A 462 9.389 -2.290 8.533 1.00 0.18 H new ATOM 0 HG2 PRO A 462 11.601 -1.181 7.276 1.00 0.13 H new ATOM 0 HG3 PRO A 462 11.535 -2.821 7.891 1.00 0.13 H new ATOM 0 HD2 PRO A 462 11.059 -1.851 5.068 1.00 0.09 H new ATOM 0 HD3 PRO A 462 11.999 -3.226 5.610 1.00 0.09 H new ATOM 1911 N VAL A 463 6.912 -1.555 5.817 1.00 0.09 N ATOM 1912 CA VAL A 463 6.200 -0.595 5.023 1.00 0.09 C ATOM 1913 C VAL A 463 5.796 0.523 5.924 1.00 0.08 C ATOM 1914 O VAL A 463 5.608 0.342 7.116 1.00 0.10 O ATOM 1915 CB VAL A 463 4.941 -1.142 4.337 1.00 0.19 C ATOM 1916 CG1 VAL A 463 5.207 -2.490 3.707 1.00 0.57 C ATOM 1917 CG2 VAL A 463 3.806 -1.194 5.328 1.00 0.54 C ATOM 0 H VAL A 463 6.393 -1.935 6.608 1.00 0.09 H new ATOM 0 HA VAL A 463 6.871 -0.284 4.222 1.00 0.09 H new ATOM 0 HB VAL A 463 4.654 -0.471 3.527 1.00 0.19 H new ATOM 0 HG11 VAL A 463 4.298 -2.854 3.228 1.00 0.57 H new ATOM 0 HG12 VAL A 463 5.996 -2.394 2.961 1.00 0.57 H new ATOM 0 HG13 VAL A 463 5.519 -3.196 4.477 1.00 0.57 H new ATOM 0 HG21 VAL A 463 2.913 -1.583 4.838 1.00 0.54 H new ATOM 0 HG22 VAL A 463 4.078 -1.846 6.158 1.00 0.54 H new ATOM 0 HG23 VAL A 463 3.606 -0.191 5.705 1.00 0.54 H new ATOM 1927 N LEU A 464 5.723 1.677 5.389 1.00 0.07 N ATOM 1928 CA LEU A 464 5.279 2.792 6.138 1.00 0.07 C ATOM 1929 C LEU A 464 4.301 3.543 5.327 1.00 0.07 C ATOM 1930 O LEU A 464 4.332 3.478 4.118 1.00 0.09 O ATOM 1931 CB LEU A 464 6.448 3.672 6.498 1.00 0.10 C ATOM 1932 CG LEU A 464 7.418 3.051 7.459 1.00 0.10 C ATOM 1933 CD1 LEU A 464 8.471 2.300 6.712 1.00 0.09 C ATOM 1934 CD2 LEU A 464 8.023 4.121 8.323 1.00 0.13 C ATOM 0 H LEU A 464 5.968 1.881 4.420 1.00 0.07 H new ATOM 0 HA LEU A 464 4.809 2.457 7.063 1.00 0.07 H new ATOM 0 HB2 LEU A 464 6.980 3.940 5.585 1.00 0.10 H new ATOM 0 HB3 LEU A 464 6.070 4.599 6.930 1.00 0.10 H new ATOM 0 HG LEU A 464 6.894 2.343 8.102 1.00 0.10 H new ATOM 0 HD11 LEU A 464 9.170 1.853 7.419 1.00 0.09 H new ATOM 0 HD12 LEU A 464 8.005 1.515 6.117 1.00 0.09 H new ATOM 0 HD13 LEU A 464 9.008 2.983 6.054 1.00 0.09 H new ATOM 0 HD21 LEU A 464 8.728 3.670 9.021 1.00 0.13 H new ATOM 0 HD22 LEU A 464 8.546 4.843 7.696 1.00 0.13 H new ATOM 0 HD23 LEU A 464 7.235 4.628 8.880 1.00 0.13 H new ATOM 1946 N VAL A 465 3.379 4.155 5.997 1.00 0.06 N ATOM 1947 CA VAL A 465 2.546 5.158 5.402 1.00 0.05 C ATOM 1948 C VAL A 465 2.450 6.258 6.419 1.00 0.08 C ATOM 1949 O VAL A 465 2.480 5.953 7.591 1.00 0.10 O ATOM 1950 CB VAL A 465 1.159 4.602 4.991 1.00 0.07 C ATOM 1951 CG1 VAL A 465 1.246 3.118 4.715 1.00 0.09 C ATOM 1952 CG2 VAL A 465 0.112 4.911 6.009 1.00 0.08 C ATOM 0 H VAL A 465 3.178 3.974 6.981 1.00 0.06 H new ATOM 0 HA VAL A 465 2.972 5.526 4.469 1.00 0.05 H new ATOM 0 HB VAL A 465 0.857 5.102 4.071 1.00 0.07 H new ATOM 0 HG11 VAL A 465 0.264 2.743 4.428 1.00 0.09 H new ATOM 0 HG12 VAL A 465 1.954 2.939 3.905 1.00 0.09 H new ATOM 0 HG13 VAL A 465 1.584 2.600 5.613 1.00 0.09 H new ATOM 0 HG21 VAL A 465 -0.845 4.504 5.682 1.00 0.08 H new ATOM 0 HG22 VAL A 465 0.390 4.464 6.964 1.00 0.08 H new ATOM 0 HG23 VAL A 465 0.026 5.991 6.126 1.00 0.08 H new ATOM 1962 N PHE A 466 2.465 7.508 5.980 1.00 0.10 N ATOM 1963 CA PHE A 466 2.445 8.665 6.873 1.00 0.15 C ATOM 1964 C PHE A 466 2.576 9.960 6.087 1.00 0.21 C ATOM 1965 O PHE A 466 1.524 10.543 5.760 1.00 1.09 O ATOM 1966 CB PHE A 466 3.530 8.567 7.964 1.00 0.17 C ATOM 1967 CG PHE A 466 4.943 8.343 7.473 1.00 0.20 C ATOM 1968 CD1 PHE A 466 5.333 7.121 6.945 1.00 0.14 C ATOM 1969 CD2 PHE A 466 5.872 9.364 7.531 1.00 0.36 C ATOM 1970 CE1 PHE A 466 6.627 6.925 6.491 1.00 0.20 C ATOM 1971 CE2 PHE A 466 7.166 9.174 7.080 1.00 0.41 C ATOM 1972 CZ PHE A 466 7.541 7.908 6.577 1.00 0.30 C ATOM 1973 OXT PHE A 466 3.709 10.385 5.796 1.00 1.06 O ATOM 0 H PHE A 466 2.492 7.753 4.990 1.00 0.10 H new ATOM 0 HA PHE A 466 1.479 8.669 7.378 1.00 0.15 H new ATOM 0 HB2 PHE A 466 3.511 9.485 8.551 1.00 0.17 H new ATOM 0 HB3 PHE A 466 3.267 7.752 8.638 1.00 0.17 H new ATOM 0 HD1 PHE A 466 4.619 6.313 6.887 1.00 0.14 H new ATOM 0 HD2 PHE A 466 5.584 10.324 7.934 1.00 0.36 H new ATOM 0 HE1 PHE A 466 6.905 5.973 6.064 1.00 0.20 H new ATOM 0 HE2 PHE A 466 7.881 9.983 7.112 1.00 0.41 H new ATOM 0 HZ PHE A 466 8.559 7.730 6.262 1.00 0.30 H new