USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=31 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 142:sc= -2.56! (180deg=-4.2!) USER MOD Set 1.2: A 450 MET CE :methyl -167:sc= -4.91! (180deg=-6.16!) USER MOD Set 2.1: A 421 HIS : no HE2:sc= -2.8! C(o=-5.5!,f=-5.4!) USER MOD Set 2.2: A 442 CYS SG : rot 180:sc= -0.154 USER MOD Set 2.3: A 444 ASN : amide:sc= -2.55 K(o=-5.5,f=-2.3) USER MOD Set 3.1: A 356 TYR OH : rot -29:sc= -0.626 USER MOD Set 3.2: A 358 LYS NZ :NH3+ -174:sc= 1.22 (180deg=0.126) USER MOD Single : A 343 THR OG1 : rot -4:sc= 0.82 USER MOD Single : A 344 TYR OH : rot 94:sc= 0.657 USER MOD Single : A 351 ASN : amide:sc= -2.86! K(o=-2.9!,f=-1.6) USER MOD Single : A 352 GLN : amide:sc= -2.61! X(o=-2.6!,f=-2.4) USER MOD Single : A 353 HIS : no HE2:sc= -7.74! C(o=-7.7!,f=-8.5!) USER MOD Single : A 354 MET CE :methyl -129:sc= -5.65! (180deg=-6.83!) USER MOD Single : A 357 TYR OH : rot 180:sc= 0 USER MOD Single : A 361 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 366 THR OG1 : rot 40:sc= -5.34! USER MOD Single : A 370 SER OG : rot -60:sc= -3.06! USER MOD Single : A 372 LYS NZ :NH3+ 157:sc= 0.0354 (180deg=0) USER MOD Single : A 374 THR OG1 : rot 180:sc= -2.59 USER MOD Single : A 375 THR OG1 : rot -50:sc= 0.221 USER MOD Single : A 377 THR OG1 : rot 103:sc= 0.165 USER MOD Single : A 383 TYR OH : rot -32:sc= -2.17! USER MOD Single : A 386 ASN : amide:sc= -1.93! C(o=-1.9!,f=-4!) USER MOD Single : A 387 LYS NZ :NH3+ -121:sc= 1.75 (180deg=-0.3) 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= -0.174 X(o=-0.17,f=0) USER MOD Single : A 409 TYR OH : rot 180:sc=-0.000704 USER MOD Single : A 423 SER OG : rot 180:sc= 0 USER MOD Single : A 429 TYR OH : rot -137:sc= -3.1! USER MOD Single : A 435 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 436 THR OG1 : rot 110:sc= -1.56 USER MOD Single : A 439 SER OG : rot 46:sc= 0.0955 USER MOD Single : A 440 HIS : no HD1:sc= 0 X(o=0,f=-0.075) USER MOD Single : A 445 THR OG1 : rot -138:sc= 0.92 USER MOD Single : A 448 SER OG : rot 180:sc= -0.0894 USER MOD Single : A 451 LYS NZ :NH3+ -114:sc= 0.349 (180deg=-0.00787) USER MOD Single : A 456 MET CE :methyl -108:sc= -20.8! (180deg=-29.7!) USER MOD Single : A 459 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 461 THR OG1 : rot -140:sc= -0.111 USER MOD ----------------------------------------------------------------- ATOM 60 N ASP A 342 17.986 0.841 6.444 1.00 0.24 N ATOM 61 CA ASP A 342 17.194 1.792 5.695 1.00 0.20 C ATOM 62 C ASP A 342 16.766 1.193 4.375 1.00 0.17 C ATOM 63 O ASP A 342 17.381 1.432 3.336 1.00 0.19 O ATOM 64 CB ASP A 342 17.961 3.087 5.419 1.00 0.22 C ATOM 65 CG ASP A 342 18.321 3.856 6.672 1.00 0.31 C ATOM 66 OD1 ASP A 342 17.506 4.686 7.124 1.00 0.39 O ATOM 67 OD2 ASP A 342 19.416 3.620 7.221 1.00 0.43 O1- ATOM 0 HA ASP A 342 16.322 2.028 6.305 1.00 0.20 H new ATOM 0 HB2 ASP A 342 18.874 2.849 4.873 1.00 0.22 H new ATOM 0 HB3 ASP A 342 17.360 3.725 4.771 1.00 0.22 H new ATOM 72 N THR A 343 15.689 0.439 4.433 1.00 0.13 N ATOM 73 CA THR A 343 14.968 -0.008 3.265 1.00 0.10 C ATOM 74 C THR A 343 13.554 -0.361 3.665 1.00 0.08 C ATOM 75 O THR A 343 13.349 -1.021 4.686 1.00 0.10 O ATOM 76 CB THR A 343 15.591 -1.227 2.576 1.00 0.11 C ATOM 77 OG1 THR A 343 16.899 -0.910 2.083 1.00 0.14 O ATOM 78 CG2 THR A 343 14.687 -1.649 1.433 1.00 0.08 C ATOM 0 H THR A 343 15.284 0.115 5.311 1.00 0.13 H new ATOM 0 HA THR A 343 15.002 0.815 2.551 1.00 0.10 H new ATOM 0 HB THR A 343 15.690 -2.043 3.292 1.00 0.11 H new ATOM 0 HG1 THR A 343 17.087 0.039 2.241 1.00 0.14 H new ATOM 0 HG21 THR A 343 15.116 -2.516 0.931 1.00 0.08 H new ATOM 0 HG22 THR A 343 13.702 -1.906 1.824 1.00 0.08 H new ATOM 0 HG23 THR A 343 14.592 -0.828 0.722 1.00 0.08 H new ATOM 86 N TYR A 344 12.588 0.063 2.867 1.00 0.07 N ATOM 87 CA TYR A 344 11.188 -0.131 3.210 1.00 0.06 C ATOM 88 C TYR A 344 10.286 0.559 2.223 1.00 0.06 C ATOM 89 O TYR A 344 10.704 1.453 1.520 1.00 0.06 O ATOM 90 CB TYR A 344 10.911 0.467 4.572 1.00 0.08 C ATOM 91 CG TYR A 344 11.301 1.927 4.682 1.00 0.09 C ATOM 92 CD1 TYR A 344 12.576 2.268 5.081 1.00 0.12 C ATOM 93 CD2 TYR A 344 10.407 2.951 4.391 1.00 0.09 C ATOM 94 CE1 TYR A 344 12.961 3.589 5.197 1.00 0.13 C ATOM 95 CE2 TYR A 344 10.774 4.273 4.502 1.00 0.11 C ATOM 96 CZ TYR A 344 12.054 4.591 4.908 1.00 0.13 C ATOM 97 OH TYR A 344 12.430 5.912 5.018 1.00 0.15 O ATOM 0 H TYR A 344 12.746 0.542 1.980 1.00 0.07 H new ATOM 0 HA TYR A 344 10.992 -1.203 3.201 1.00 0.06 H new ATOM 0 HB2 TYR A 344 9.849 0.365 4.796 1.00 0.08 H new ATOM 0 HB3 TYR A 344 11.452 -0.103 5.327 1.00 0.08 H new ATOM 0 HD1 TYR A 344 13.287 1.487 5.307 1.00 0.12 H new ATOM 0 HD2 TYR A 344 9.405 2.705 4.072 1.00 0.09 H new ATOM 0 HE1 TYR A 344 13.964 3.837 5.511 1.00 0.13 H new ATOM 0 HE2 TYR A 344 10.066 5.055 4.273 1.00 0.11 H new ATOM 0 HH TYR A 344 12.731 6.240 4.145 1.00 0.15 H new ATOM 107 N ILE A 345 9.047 0.125 2.161 1.00 0.06 N ATOM 108 CA ILE A 345 8.031 0.902 1.502 1.00 0.06 C ATOM 109 C ILE A 345 7.587 2.012 2.396 1.00 0.07 C ATOM 110 O ILE A 345 7.678 1.913 3.611 1.00 0.08 O ATOM 111 CB ILE A 345 6.772 0.111 1.140 1.00 0.06 C ATOM 112 CG1 ILE A 345 7.059 -1.374 1.132 1.00 0.07 C ATOM 113 CG2 ILE A 345 6.301 0.542 -0.225 1.00 0.06 C ATOM 114 CD1 ILE A 345 8.160 -1.720 0.217 1.00 0.05 C ATOM 0 H ILE A 345 8.723 -0.757 2.558 1.00 0.06 H new ATOM 0 HA ILE A 345 8.496 1.254 0.581 1.00 0.06 H new ATOM 0 HB ILE A 345 6.000 0.308 1.884 1.00 0.06 H new ATOM 0 HG12 ILE A 345 7.311 -1.700 2.141 1.00 0.07 H new ATOM 0 HG13 ILE A 345 6.160 -1.915 0.838 1.00 0.07 H new ATOM 0 HG21 ILE A 345 5.404 -0.016 -0.493 1.00 0.06 H new ATOM 0 HG22 ILE A 345 6.075 1.608 -0.212 1.00 0.06 H new ATOM 0 HG23 ILE A 345 7.083 0.346 -0.959 1.00 0.06 H new ATOM 0 HD11 ILE A 345 8.331 -2.796 0.244 1.00 0.05 H new ATOM 0 HD12 ILE A 345 7.898 -1.419 -0.797 1.00 0.05 H new ATOM 0 HD13 ILE A 345 9.067 -1.201 0.526 1.00 0.05 H new ATOM 126 N GLU A 346 7.090 3.040 1.783 1.00 0.09 N ATOM 127 CA GLU A 346 6.615 4.195 2.490 1.00 0.12 C ATOM 128 C GLU A 346 5.437 4.780 1.712 1.00 0.17 C ATOM 129 O GLU A 346 5.365 4.641 0.504 1.00 0.21 O ATOM 130 CB GLU A 346 7.774 5.164 2.573 1.00 0.15 C ATOM 131 CG GLU A 346 7.640 6.324 3.537 1.00 0.13 C ATOM 132 CD GLU A 346 6.242 6.753 3.857 1.00 1.24 C ATOM 133 OE1 GLU A 346 5.533 5.983 4.525 1.00 2.01 O1- ATOM 134 OE2 GLU A 346 5.837 7.845 3.425 1.00 1.53 O ATOM 0 H GLU A 346 7.000 3.105 0.769 1.00 0.09 H new ATOM 0 HA GLU A 346 6.268 3.963 3.497 1.00 0.12 H new ATOM 0 HB2 GLU A 346 8.666 4.600 2.845 1.00 0.15 H new ATOM 0 HB3 GLU A 346 7.946 5.571 1.577 1.00 0.15 H new ATOM 0 HG2 GLU A 346 8.139 6.056 4.468 1.00 0.13 H new ATOM 0 HG3 GLU A 346 8.175 7.178 3.123 1.00 0.13 H new ATOM 141 N VAL A 347 4.505 5.375 2.418 1.00 0.17 N ATOM 142 CA VAL A 347 3.377 6.043 1.816 1.00 0.17 C ATOM 143 C VAL A 347 2.923 7.280 2.568 1.00 0.20 C ATOM 144 O VAL A 347 2.266 7.178 3.571 1.00 0.45 O ATOM 145 CB VAL A 347 2.140 5.198 1.782 1.00 0.15 C ATOM 146 CG1 VAL A 347 1.207 5.886 0.834 1.00 0.14 C ATOM 147 CG2 VAL A 347 2.433 3.752 1.420 1.00 0.15 C ATOM 0 H VAL A 347 4.509 5.409 3.437 1.00 0.17 H new ATOM 0 HA VAL A 347 3.759 6.279 0.823 1.00 0.17 H new ATOM 0 HB VAL A 347 1.681 5.115 2.767 1.00 0.15 H new ATOM 0 HG11 VAL A 347 0.279 5.319 0.762 1.00 0.14 H new ATOM 0 HG12 VAL A 347 0.992 6.890 1.200 1.00 0.14 H new ATOM 0 HG13 VAL A 347 1.671 5.950 -0.150 1.00 0.14 H new ATOM 0 HG21 VAL A 347 1.503 3.184 1.410 1.00 0.15 H new ATOM 0 HG22 VAL A 347 2.895 3.710 0.434 1.00 0.15 H new ATOM 0 HG23 VAL A 347 3.112 3.323 2.157 1.00 0.15 H new ATOM 157 N ASP A 348 3.124 8.425 2.013 1.00 0.10 N ATOM 158 CA ASP A 348 2.657 9.640 2.636 1.00 0.09 C ATOM 159 C ASP A 348 1.272 9.972 2.101 1.00 0.08 C ATOM 160 O ASP A 348 1.100 10.374 0.967 1.00 0.10 O ATOM 161 CB ASP A 348 3.632 10.767 2.310 1.00 0.12 C ATOM 162 CG ASP A 348 3.378 12.009 3.125 1.00 0.16 C ATOM 163 OD1 ASP A 348 2.195 12.355 3.337 1.00 0.16 O1- ATOM 164 OD2 ASP A 348 4.355 12.618 3.603 1.00 0.24 O ATOM 0 H ASP A 348 3.609 8.558 1.126 1.00 0.10 H new ATOM 0 HA ASP A 348 2.600 9.515 3.717 1.00 0.09 H new ATOM 0 HB2 ASP A 348 4.651 10.423 2.487 1.00 0.12 H new ATOM 0 HB3 ASP A 348 3.558 11.011 1.250 1.00 0.12 H new ATOM 169 N LEU A 349 0.294 9.752 2.965 1.00 0.08 N ATOM 170 CA LEU A 349 -1.140 9.780 2.640 1.00 0.09 C ATOM 171 C LEU A 349 -1.613 11.177 2.531 1.00 0.12 C ATOM 172 O LEU A 349 -2.503 11.512 1.774 1.00 0.16 O ATOM 173 CB LEU A 349 -1.944 9.145 3.762 1.00 0.10 C ATOM 174 CG LEU A 349 -1.385 7.848 4.254 1.00 0.08 C ATOM 175 CD1 LEU A 349 -0.781 7.116 3.097 1.00 0.07 C ATOM 176 CD2 LEU A 349 -0.370 8.126 5.331 1.00 0.08 C ATOM 0 H LEU A 349 0.473 9.541 3.947 1.00 0.08 H new ATOM 0 HA LEU A 349 -1.274 9.242 1.701 1.00 0.09 H new ATOM 0 HB2 LEU A 349 -1.999 9.844 4.596 1.00 0.10 H new ATOM 0 HB3 LEU A 349 -2.964 8.981 3.416 1.00 0.10 H new ATOM 0 HG LEU A 349 -2.167 7.223 4.684 1.00 0.08 H new ATOM 0 HD11 LEU A 349 -0.369 6.167 3.442 1.00 0.07 H new ATOM 0 HD12 LEU A 349 -1.548 6.927 2.346 1.00 0.07 H new ATOM 0 HD13 LEU A 349 0.014 7.720 2.660 1.00 0.07 H new ATOM 0 HD21 LEU A 349 0.042 7.185 5.695 1.00 0.08 H new ATOM 0 HD22 LEU A 349 0.433 8.740 4.924 1.00 0.08 H new ATOM 0 HD23 LEU A 349 -0.849 8.655 6.155 1.00 0.08 H new ATOM 188 N GLU A 350 -1.029 11.935 3.422 1.00 0.13 N ATOM 189 CA GLU A 350 -1.236 13.353 3.560 1.00 0.15 C ATOM 190 C GLU A 350 -0.955 13.990 2.246 1.00 0.14 C ATOM 191 O GLU A 350 -1.641 14.892 1.771 1.00 0.17 O ATOM 192 CB GLU A 350 -0.224 13.841 4.559 1.00 0.18 C ATOM 193 CG GLU A 350 -0.064 12.922 5.709 1.00 0.19 C ATOM 194 CD GLU A 350 0.070 13.645 7.027 1.00 0.28 C ATOM 195 OE1 GLU A 350 0.776 14.675 7.075 1.00 0.57 O ATOM 196 OE2 GLU A 350 -0.524 13.189 8.022 1.00 0.60 O1- ATOM 0 H GLU A 350 -0.366 11.564 4.102 1.00 0.13 H new ATOM 0 HA GLU A 350 -2.252 13.587 3.878 1.00 0.15 H new ATOM 0 HB2 GLU A 350 0.738 13.966 4.063 1.00 0.18 H new ATOM 0 HB3 GLU A 350 -0.525 14.823 4.924 1.00 0.18 H new ATOM 0 HG2 GLU A 350 -0.923 12.252 5.754 1.00 0.19 H new ATOM 0 HG3 GLU A 350 0.817 12.300 5.551 1.00 0.19 H new ATOM 203 N ASN A 351 0.137 13.504 1.722 1.00 0.12 N ATOM 204 CA ASN A 351 0.716 14.009 0.488 1.00 0.11 C ATOM 205 C ASN A 351 0.406 13.092 -0.672 1.00 0.09 C ATOM 206 O ASN A 351 0.915 13.262 -1.783 1.00 0.10 O ATOM 207 CB ASN A 351 2.220 14.152 0.672 1.00 0.13 C ATOM 208 CG ASN A 351 2.532 15.227 1.676 1.00 0.17 C ATOM 209 OD1 ASN A 351 2.810 16.373 1.323 1.00 0.20 O ATOM 210 ND2 ASN A 351 2.450 14.875 2.938 1.00 0.18 N ATOM 0 H ASN A 351 0.663 12.736 2.139 1.00 0.12 H new ATOM 0 HA ASN A 351 0.281 14.982 0.260 1.00 0.11 H new ATOM 0 HB2 ASN A 351 2.643 13.204 1.004 1.00 0.13 H new ATOM 0 HB3 ASN A 351 2.687 14.393 -0.283 1.00 0.13 H new ATOM 0 HD21 ASN A 351 2.620 15.563 3.671 1.00 0.18 H new ATOM 0 HD22 ASN A 351 2.217 13.913 3.185 1.00 0.18 H new ATOM 217 N GLN A 352 -0.449 12.115 -0.348 1.00 0.08 N ATOM 218 CA GLN A 352 -0.857 11.023 -1.230 1.00 0.08 C ATOM 219 C GLN A 352 0.250 10.573 -2.158 1.00 0.07 C ATOM 220 O GLN A 352 0.115 10.610 -3.380 1.00 0.08 O ATOM 221 CB GLN A 352 -2.109 11.338 -2.036 1.00 0.12 C ATOM 222 CG GLN A 352 -3.346 11.546 -1.192 1.00 0.21 C ATOM 223 CD GLN A 352 -3.482 12.961 -0.657 1.00 1.28 C ATOM 224 OE1 GLN A 352 -4.054 13.175 0.405 1.00 2.15 O ATOM 225 NE2 GLN A 352 -2.962 13.939 -1.382 1.00 1.89 N ATOM 0 H GLN A 352 -0.890 12.064 0.570 1.00 0.08 H new ATOM 0 HA GLN A 352 -1.093 10.201 -0.554 1.00 0.08 H new ATOM 0 HB2 GLN A 352 -1.931 12.235 -2.629 1.00 0.12 H new ATOM 0 HB3 GLN A 352 -2.292 10.524 -2.737 1.00 0.12 H new ATOM 0 HG2 GLN A 352 -4.227 11.304 -1.787 1.00 0.21 H new ATOM 0 HG3 GLN A 352 -3.326 10.849 -0.354 1.00 0.21 H new ATOM 0 HE21 GLN A 352 -2.492 13.727 -2.262 1.00 1.89 H new ATOM 0 HE22 GLN A 352 -3.031 14.905 -1.061 1.00 1.89 H new ATOM 234 N HIS A 353 1.320 10.096 -1.572 1.00 0.05 N ATOM 235 CA HIS A 353 2.460 9.668 -2.339 1.00 0.05 C ATOM 236 C HIS A 353 3.082 8.454 -1.699 1.00 0.06 C ATOM 237 O HIS A 353 3.301 8.414 -0.510 1.00 0.07 O ATOM 238 CB HIS A 353 3.472 10.798 -2.442 1.00 0.06 C ATOM 239 CG HIS A 353 4.535 10.523 -3.443 1.00 0.06 C ATOM 240 ND1 HIS A 353 4.498 10.945 -4.757 1.00 0.09 N ATOM 241 CD2 HIS A 353 5.638 9.790 -3.317 1.00 0.06 C ATOM 242 CE1 HIS A 353 5.549 10.454 -5.393 1.00 0.09 C ATOM 243 NE2 HIS A 353 6.258 9.755 -4.529 1.00 0.07 N ATOM 0 H HIS A 353 1.424 9.995 -0.562 1.00 0.05 H new ATOM 0 HA HIS A 353 2.136 9.402 -3.345 1.00 0.05 H new ATOM 0 HB2 HIS A 353 2.956 11.720 -2.710 1.00 0.06 H new ATOM 0 HB3 HIS A 353 3.930 10.961 -1.466 1.00 0.06 H new ATOM 0 HD1 HIS A 353 3.778 11.538 -5.170 1.00 0.09 H new ATOM 0 HD2 HIS A 353 5.981 9.308 -2.413 1.00 0.06 H new ATOM 0 HE1 HIS A 353 5.785 10.600 -6.437 1.00 0.09 H new ATOM 252 N MET A 354 3.348 7.462 -2.506 1.00 0.05 N ATOM 253 CA MET A 354 3.925 6.245 -2.027 1.00 0.06 C ATOM 254 C MET A 354 5.360 6.134 -2.505 1.00 0.05 C ATOM 255 O MET A 354 5.720 6.661 -3.553 1.00 0.06 O ATOM 256 CB MET A 354 3.139 5.041 -2.505 1.00 0.07 C ATOM 257 CG MET A 354 3.409 3.799 -1.688 1.00 0.07 C ATOM 258 SD MET A 354 3.843 2.358 -2.671 1.00 0.06 S ATOM 259 CE MET A 354 5.027 3.073 -3.798 1.00 0.05 C ATOM 0 H MET A 354 3.170 7.479 -3.510 1.00 0.05 H new ATOM 0 HA MET A 354 3.898 6.264 -0.937 1.00 0.06 H new ATOM 0 HB2 MET A 354 2.074 5.270 -2.467 1.00 0.07 H new ATOM 0 HB3 MET A 354 3.385 4.844 -3.548 1.00 0.07 H new ATOM 0 HG2 MET A 354 4.218 4.006 -0.988 1.00 0.07 H new ATOM 0 HG3 MET A 354 2.525 3.568 -1.094 1.00 0.07 H new ATOM 0 HE1 MET A 354 4.757 2.814 -4.822 1.00 0.05 H new ATOM 0 HE2 MET A 354 5.027 4.157 -3.686 1.00 0.05 H new ATOM 0 HE3 MET A 354 6.021 2.685 -3.576 1.00 0.05 H new ATOM 269 N TRP A 355 6.153 5.429 -1.742 1.00 0.05 N ATOM 270 CA TRP A 355 7.557 5.238 -2.029 1.00 0.07 C ATOM 271 C TRP A 355 7.967 3.830 -1.748 1.00 0.07 C ATOM 272 O TRP A 355 7.345 3.131 -0.965 1.00 0.11 O ATOM 273 CB TRP A 355 8.467 6.090 -1.144 1.00 0.08 C ATOM 274 CG TRP A 355 8.381 7.541 -1.351 1.00 0.07 C ATOM 275 CD1 TRP A 355 9.102 8.295 -2.191 1.00 0.06 C ATOM 276 CD2 TRP A 355 7.544 8.404 -0.644 1.00 0.07 C ATOM 277 NE1 TRP A 355 8.731 9.608 -2.083 1.00 0.05 N ATOM 278 CE2 TRP A 355 7.765 9.696 -1.108 1.00 0.06 C ATOM 279 CE3 TRP A 355 6.617 8.190 0.336 1.00 0.08 C ATOM 280 CZ2 TRP A 355 7.059 10.776 -0.592 1.00 0.07 C ATOM 281 CZ3 TRP A 355 5.938 9.224 0.838 1.00 0.09 C ATOM 282 CH2 TRP A 355 6.152 10.514 0.384 1.00 0.09 C ATOM 0 H TRP A 355 5.841 4.963 -0.890 1.00 0.05 H new ATOM 0 HA TRP A 355 7.667 5.513 -3.078 1.00 0.07 H new ATOM 0 HB2 TRP A 355 8.233 5.876 -0.101 1.00 0.08 H new ATOM 0 HB3 TRP A 355 9.498 5.779 -1.309 1.00 0.08 H new ATOM 0 HD1 TRP A 355 9.866 7.921 -2.857 1.00 0.06 H new ATOM 0 HE1 TRP A 355 9.105 10.384 -2.629 1.00 0.05 H new ATOM 0 HE3 TRP A 355 6.434 7.191 0.702 1.00 0.08 H new ATOM 0 HZ2 TRP A 355 7.225 11.781 -0.952 1.00 0.07 H new ATOM 0 HZ3 TRP A 355 5.207 9.051 1.614 1.00 0.09 H new ATOM 0 HH2 TRP A 355 5.587 11.328 0.814 1.00 0.09 H new ATOM 293 N TYR A 356 9.030 3.439 -2.372 1.00 0.04 N ATOM 294 CA TYR A 356 9.879 2.434 -1.812 1.00 0.04 C ATOM 295 C TYR A 356 11.130 3.118 -1.407 1.00 0.04 C ATOM 296 O TYR A 356 11.509 4.113 -1.985 1.00 0.05 O ATOM 297 CB TYR A 356 10.237 1.380 -2.784 1.00 0.03 C ATOM 298 CG TYR A 356 11.122 0.303 -2.186 1.00 0.03 C ATOM 299 CD1 TYR A 356 10.586 -0.699 -1.420 1.00 0.05 C ATOM 300 CD2 TYR A 356 12.475 0.266 -2.437 1.00 0.05 C ATOM 301 CE1 TYR A 356 11.361 -1.714 -0.944 1.00 0.11 C ATOM 302 CE2 TYR A 356 13.267 -0.746 -1.945 1.00 0.10 C ATOM 303 CZ TYR A 356 12.698 -1.740 -1.208 1.00 0.05 C ATOM 304 OH TYR A 356 13.464 -2.788 -0.765 1.00 0.26 O ATOM 0 H TYR A 356 9.334 3.802 -3.276 1.00 0.04 H new ATOM 0 HA TYR A 356 9.355 1.954 -0.986 1.00 0.04 H new ATOM 0 HB2 TYR A 356 9.326 0.922 -3.169 1.00 0.03 H new ATOM 0 HB3 TYR A 356 10.748 1.834 -3.633 1.00 0.03 H new ATOM 0 HD1 TYR A 356 9.531 -0.684 -1.190 1.00 0.05 H new ATOM 0 HD2 TYR A 356 12.924 1.047 -3.032 1.00 0.05 H new ATOM 0 HE1 TYR A 356 10.914 -2.501 -0.355 1.00 0.11 H new ATOM 0 HE2 TYR A 356 14.329 -0.752 -2.141 1.00 0.10 H new ATOM 0 HH TYR A 356 13.072 -3.156 0.055 1.00 0.26 H new ATOM 314 N TYR A 357 11.768 2.558 -0.463 1.00 0.05 N ATOM 315 CA TYR A 357 12.988 3.111 0.058 1.00 0.06 C ATOM 316 C TYR A 357 14.063 2.072 0.052 1.00 0.06 C ATOM 317 O TYR A 357 13.935 1.040 0.690 1.00 0.07 O ATOM 318 CB TYR A 357 12.826 3.654 1.470 1.00 0.07 C ATOM 319 CG TYR A 357 12.436 5.105 1.545 1.00 0.07 C ATOM 320 CD1 TYR A 357 11.136 5.516 1.294 1.00 0.08 C ATOM 321 CD2 TYR A 357 13.382 6.064 1.875 1.00 0.10 C ATOM 322 CE1 TYR A 357 10.784 6.851 1.372 1.00 0.10 C ATOM 323 CE2 TYR A 357 13.044 7.394 1.954 1.00 0.11 C ATOM 324 CZ TYR A 357 11.744 7.789 1.703 1.00 0.11 C ATOM 325 OH TYR A 357 11.403 9.121 1.782 1.00 0.14 O ATOM 0 H TYR A 357 11.472 1.693 -0.011 1.00 0.05 H new ATOM 0 HA TYR A 357 13.260 3.944 -0.589 1.00 0.06 H new ATOM 0 HB2 TYR A 357 12.072 3.062 1.988 1.00 0.07 H new ATOM 0 HB3 TYR A 357 13.764 3.516 2.008 1.00 0.07 H new ATOM 0 HD1 TYR A 357 10.387 4.783 1.034 1.00 0.08 H new ATOM 0 HD2 TYR A 357 14.400 5.761 2.073 1.00 0.10 H new ATOM 0 HE1 TYR A 357 9.767 7.158 1.176 1.00 0.10 H new ATOM 0 HE2 TYR A 357 13.793 8.128 2.212 1.00 0.11 H new ATOM 0 HH TYR A 357 12.193 9.647 2.026 1.00 0.14 H new ATOM 335 N LYS A 358 15.094 2.348 -0.686 1.00 0.07 N ATOM 336 CA LYS A 358 16.286 1.545 -0.674 1.00 0.09 C ATOM 337 C LYS A 358 17.439 2.435 -0.288 1.00 0.13 C ATOM 338 O LYS A 358 17.614 3.455 -0.923 1.00 0.25 O ATOM 339 CB LYS A 358 16.550 0.964 -2.040 1.00 0.11 C ATOM 340 CG LYS A 358 17.557 -0.144 -1.991 1.00 0.12 C ATOM 341 CD LYS A 358 16.945 -1.312 -1.325 1.00 0.09 C ATOM 342 CE LYS A 358 16.403 -2.235 -2.360 1.00 0.09 C ATOM 343 NZ LYS A 358 15.940 -3.524 -1.790 1.00 0.10 N1+ ATOM 0 H LYS A 358 15.136 3.145 -1.322 1.00 0.07 H new ATOM 0 HA LYS A 358 16.167 0.724 0.033 1.00 0.09 H new ATOM 0 HB2 LYS A 358 15.617 0.589 -2.461 1.00 0.11 H new ATOM 0 HB3 LYS A 358 16.907 1.750 -2.706 1.00 0.11 H new ATOM 0 HG2 LYS A 358 17.877 -0.409 -2.999 1.00 0.12 H new ATOM 0 HG3 LYS A 358 18.446 0.177 -1.448 1.00 0.12 H new ATOM 0 HD2 LYS A 358 17.686 -1.827 -0.713 1.00 0.09 H new ATOM 0 HD3 LYS A 358 16.148 -0.988 -0.656 1.00 0.09 H new ATOM 0 HE2 LYS A 358 15.573 -1.751 -2.874 1.00 0.09 H new ATOM 0 HE3 LYS A 358 17.172 -2.428 -3.108 1.00 0.09 H new ATOM 0 HZ1 LYS A 358 15.668 -4.167 -2.561 1.00 0.10 H new ATOM 0 HZ2 LYS A 358 16.708 -3.954 -1.236 1.00 0.10 H new ATOM 0 HZ3 LYS A 358 15.120 -3.356 -1.173 1.00 0.10 H new ATOM 357 N ASP A 359 18.190 2.097 0.723 1.00 0.13 N ATOM 358 CA ASP A 359 19.337 2.927 1.129 1.00 0.16 C ATOM 359 C ASP A 359 18.904 4.245 1.739 1.00 0.16 C ATOM 360 O ASP A 359 19.540 5.284 1.514 1.00 0.28 O ATOM 361 CB ASP A 359 20.230 3.265 -0.041 1.00 0.19 C ATOM 362 CG ASP A 359 21.649 2.762 0.113 1.00 0.28 C ATOM 363 OD1 ASP A 359 22.407 3.327 0.929 1.00 0.39 O1- ATOM 364 OD2 ASP A 359 22.023 1.797 -0.592 1.00 0.43 O ATOM 0 H ASP A 359 18.047 1.262 1.291 1.00 0.13 H new ATOM 0 HA ASP A 359 19.873 2.326 1.863 1.00 0.16 H new ATOM 0 HB2 ASP A 359 19.800 2.842 -0.949 1.00 0.19 H new ATOM 0 HB3 ASP A 359 20.249 4.347 -0.172 1.00 0.19 H new ATOM 369 N GLY A 360 17.812 4.220 2.473 1.00 0.15 N ATOM 370 CA GLY A 360 17.324 5.435 3.104 1.00 0.15 C ATOM 371 C GLY A 360 16.931 6.497 2.128 1.00 0.14 C ATOM 372 O GLY A 360 16.714 7.657 2.478 1.00 0.18 O ATOM 0 H GLY A 360 17.250 3.387 2.648 1.00 0.15 H new ATOM 0 HA2 GLY A 360 16.465 5.191 3.729 1.00 0.15 H new ATOM 0 HA3 GLY A 360 18.097 5.828 3.765 1.00 0.15 H new ATOM 376 N LYS A 361 16.831 6.075 0.913 1.00 0.13 N ATOM 377 CA LYS A 361 16.443 6.905 -0.177 1.00 0.13 C ATOM 378 C LYS A 361 15.488 6.059 -0.970 1.00 0.09 C ATOM 379 O LYS A 361 15.311 4.897 -0.645 1.00 0.12 O ATOM 380 CB LYS A 361 17.687 7.233 -0.962 1.00 0.16 C ATOM 381 CG LYS A 361 18.235 6.031 -1.687 1.00 0.17 C ATOM 382 CD LYS A 361 19.277 6.402 -2.690 1.00 0.23 C ATOM 383 CE LYS A 361 18.687 7.322 -3.732 1.00 0.26 C ATOM 384 NZ LYS A 361 19.540 7.427 -4.945 1.00 0.37 N1+ ATOM 0 H LYS A 361 17.024 5.111 0.642 1.00 0.13 H new ATOM 0 HA LYS A 361 15.974 7.846 0.110 1.00 0.13 H new ATOM 0 HB2 LYS A 361 17.463 8.019 -1.683 1.00 0.16 H new ATOM 0 HB3 LYS A 361 18.447 7.626 -0.287 1.00 0.16 H new ATOM 0 HG2 LYS A 361 18.661 5.336 -0.964 1.00 0.17 H new ATOM 0 HG3 LYS A 361 17.420 5.509 -2.189 1.00 0.17 H new ATOM 0 HD2 LYS A 361 20.114 6.892 -2.193 1.00 0.23 H new ATOM 0 HD3 LYS A 361 19.671 5.504 -3.167 1.00 0.23 H new ATOM 0 HE2 LYS A 361 17.700 6.958 -4.016 1.00 0.26 H new ATOM 0 HE3 LYS A 361 18.550 8.314 -3.301 1.00 0.26 H new ATOM 0 HZ1 LYS A 361 19.092 8.069 -5.630 1.00 0.37 H new ATOM 0 HZ2 LYS A 361 20.475 7.799 -4.681 1.00 0.37 H new ATOM 0 HZ3 LYS A 361 19.651 6.486 -5.374 1.00 0.37 H new ATOM 398 N VAL A 362 14.838 6.593 -1.961 1.00 0.09 N ATOM 399 CA VAL A 362 13.818 5.800 -2.596 1.00 0.07 C ATOM 400 C VAL A 362 14.184 5.158 -3.878 1.00 0.07 C ATOM 401 O VAL A 362 15.081 5.572 -4.612 1.00 0.10 O ATOM 402 CB VAL A 362 12.519 6.525 -2.796 1.00 0.07 C ATOM 403 CG1 VAL A 362 12.051 7.052 -1.489 1.00 0.07 C ATOM 404 CG2 VAL A 362 12.630 7.606 -3.801 1.00 0.09 C ATOM 0 H VAL A 362 14.982 7.530 -2.337 1.00 0.09 H new ATOM 0 HA VAL A 362 13.698 5.007 -1.858 1.00 0.07 H new ATOM 0 HB VAL A 362 11.786 5.819 -3.188 1.00 0.07 H new ATOM 0 HG11 VAL A 362 11.107 7.580 -1.626 1.00 0.07 H new ATOM 0 HG12 VAL A 362 11.906 6.225 -0.794 1.00 0.07 H new ATOM 0 HG13 VAL A 362 12.796 7.738 -1.086 1.00 0.07 H new ATOM 0 HG21 VAL A 362 11.665 8.101 -3.911 1.00 0.09 H new ATOM 0 HG22 VAL A 362 13.375 8.331 -3.474 1.00 0.09 H new ATOM 0 HG23 VAL A 362 12.932 7.183 -4.759 1.00 0.09 H new ATOM 414 N ALA A 363 13.400 4.134 -4.120 1.00 0.05 N ATOM 415 CA ALA A 363 13.502 3.321 -5.269 1.00 0.05 C ATOM 416 C ALA A 363 12.313 3.619 -6.119 1.00 0.05 C ATOM 417 O ALA A 363 12.305 3.469 -7.339 1.00 0.07 O ATOM 418 CB ALA A 363 13.489 1.869 -4.847 1.00 0.05 C ATOM 0 H ALA A 363 12.652 3.849 -3.488 1.00 0.05 H new ATOM 0 HA ALA A 363 14.423 3.514 -5.818 1.00 0.05 H new ATOM 0 HB1 ALA A 363 13.567 1.233 -5.729 1.00 0.05 H new ATOM 0 HB2 ALA A 363 14.332 1.675 -4.184 1.00 0.05 H new ATOM 0 HB3 ALA A 363 12.558 1.650 -4.324 1.00 0.05 H new ATOM 424 N LEU A 364 11.301 4.045 -5.406 1.00 0.04 N ATOM 425 CA LEU A 364 10.018 4.306 -5.958 1.00 0.04 C ATOM 426 C LEU A 364 9.472 5.601 -5.494 1.00 0.05 C ATOM 427 O LEU A 364 9.664 6.021 -4.357 1.00 0.06 O ATOM 428 CB LEU A 364 9.095 3.200 -5.536 1.00 0.04 C ATOM 429 CG LEU A 364 8.427 2.503 -6.671 1.00 0.05 C ATOM 430 CD1 LEU A 364 9.465 2.144 -7.688 1.00 0.05 C ATOM 431 CD2 LEU A 364 7.760 1.276 -6.170 1.00 0.05 C ATOM 0 H LEU A 364 11.359 4.221 -4.403 1.00 0.04 H new ATOM 0 HA LEU A 364 10.107 4.356 -7.043 1.00 0.04 H new ATOM 0 HB2 LEU A 364 9.660 2.470 -4.957 1.00 0.04 H new ATOM 0 HB3 LEU A 364 8.332 3.610 -4.875 1.00 0.04 H new ATOM 0 HG LEU A 364 7.678 3.151 -7.126 1.00 0.05 H new ATOM 0 HD11 LEU A 364 8.992 1.633 -8.526 1.00 0.05 H new ATOM 0 HD12 LEU A 364 9.953 3.051 -8.045 1.00 0.05 H new ATOM 0 HD13 LEU A 364 10.207 1.487 -7.234 1.00 0.05 H new ATOM 0 HD21 LEU A 364 7.270 0.764 -6.998 1.00 0.05 H new ATOM 0 HD22 LEU A 364 8.502 0.615 -5.723 1.00 0.05 H new ATOM 0 HD23 LEU A 364 7.016 1.546 -5.420 1.00 0.05 H new ATOM 443 N GLU A 365 8.764 6.200 -6.396 1.00 0.05 N ATOM 444 CA GLU A 365 8.086 7.409 -6.145 1.00 0.06 C ATOM 445 C GLU A 365 6.792 7.262 -6.845 1.00 0.05 C ATOM 446 O GLU A 365 6.766 7.103 -8.065 1.00 0.07 O ATOM 447 CB GLU A 365 8.868 8.539 -6.761 1.00 0.10 C ATOM 448 CG GLU A 365 8.932 9.798 -5.922 1.00 0.16 C ATOM 449 CD GLU A 365 9.825 10.857 -6.532 1.00 0.27 C ATOM 450 OE1 GLU A 365 11.060 10.765 -6.360 1.00 0.48 O ATOM 451 OE2 GLU A 365 9.303 11.792 -7.170 1.00 0.45 O1- ATOM 0 H GLU A 365 8.645 5.846 -7.345 1.00 0.05 H new ATOM 0 HA GLU A 365 7.960 7.617 -5.082 1.00 0.06 H new ATOM 0 HB2 GLU A 365 9.884 8.196 -6.954 1.00 0.10 H new ATOM 0 HB3 GLU A 365 8.426 8.785 -7.726 1.00 0.10 H new ATOM 0 HG2 GLU A 365 7.927 10.201 -5.801 1.00 0.16 H new ATOM 0 HG3 GLU A 365 9.298 9.549 -4.926 1.00 0.16 H new ATOM 458 N THR A 366 5.724 7.300 -6.125 1.00 0.05 N ATOM 459 CA THR A 366 4.489 7.210 -6.783 1.00 0.06 C ATOM 460 C THR A 366 3.407 7.945 -6.052 1.00 0.06 C ATOM 461 O THR A 366 3.523 8.268 -4.890 1.00 0.07 O ATOM 462 CB THR A 366 4.121 5.737 -6.984 1.00 0.06 C ATOM 463 OG1 THR A 366 3.529 5.537 -8.252 1.00 0.07 O ATOM 464 CG2 THR A 366 3.158 5.282 -5.927 1.00 0.07 C ATOM 0 H THR A 366 5.689 7.390 -5.110 1.00 0.05 H new ATOM 0 HA THR A 366 4.585 7.690 -7.757 1.00 0.06 H new ATOM 0 HB THR A 366 5.041 5.157 -6.915 1.00 0.06 H new ATOM 0 HG1 THR A 366 3.996 6.080 -8.921 1.00 0.07 H new ATOM 0 HG21 THR A 366 2.910 4.233 -6.088 1.00 0.07 H new ATOM 0 HG22 THR A 366 3.614 5.400 -4.944 1.00 0.07 H new ATOM 0 HG23 THR A 366 2.250 5.882 -5.980 1.00 0.07 H new ATOM 472 N ASP A 367 2.373 8.205 -6.764 1.00 0.07 N ATOM 473 CA ASP A 367 1.249 8.901 -6.262 1.00 0.09 C ATOM 474 C ASP A 367 0.150 7.908 -5.936 1.00 0.09 C ATOM 475 O ASP A 367 -0.066 6.958 -6.676 1.00 0.11 O ATOM 476 CB ASP A 367 0.869 9.907 -7.333 1.00 0.13 C ATOM 477 CG ASP A 367 0.637 9.317 -8.721 1.00 0.98 C ATOM 478 OD1 ASP A 367 1.418 8.435 -9.130 1.00 1.65 O ATOM 479 OD2 ASP A 367 -0.357 9.686 -9.388 1.00 1.80 O1- ATOM 0 H ASP A 367 2.284 7.930 -7.742 1.00 0.07 H new ATOM 0 HA ASP A 367 1.447 9.433 -5.332 1.00 0.09 H new ATOM 0 HB2 ASP A 367 -0.038 10.424 -7.019 1.00 0.13 H new ATOM 0 HB3 ASP A 367 1.657 10.657 -7.401 1.00 0.13 H new ATOM 484 N ILE A 368 -0.485 8.085 -4.779 1.00 0.09 N ATOM 485 CA ILE A 368 -1.406 7.084 -4.250 1.00 0.08 C ATOM 486 C ILE A 368 -2.601 7.687 -3.593 1.00 0.07 C ATOM 487 O ILE A 368 -2.830 8.891 -3.622 1.00 0.08 O ATOM 488 CB ILE A 368 -0.747 6.178 -3.211 1.00 0.09 C ATOM 489 CG1 ILE A 368 0.030 6.995 -2.204 1.00 0.08 C ATOM 490 CG2 ILE A 368 0.148 5.200 -3.907 1.00 0.12 C ATOM 491 CD1 ILE A 368 -0.809 7.559 -1.068 1.00 0.08 C ATOM 0 H ILE A 368 -0.378 8.912 -4.191 1.00 0.09 H new ATOM 0 HA ILE A 368 -1.707 6.509 -5.126 1.00 0.08 H new ATOM 0 HB ILE A 368 -1.519 5.633 -2.668 1.00 0.09 H new ATOM 0 HG12 ILE A 368 0.819 6.373 -1.782 1.00 0.08 H new ATOM 0 HG13 ILE A 368 0.518 7.820 -2.723 1.00 0.08 H new ATOM 0 HG21 ILE A 368 0.621 4.551 -3.170 1.00 0.12 H new ATOM 0 HG22 ILE A 368 -0.440 4.596 -4.598 1.00 0.12 H new ATOM 0 HG23 ILE A 368 0.916 5.740 -4.461 1.00 0.12 H new ATOM 0 HD11 ILE A 368 -0.171 8.131 -0.394 1.00 0.08 H new ATOM 0 HD12 ILE A 368 -1.582 8.210 -1.475 1.00 0.08 H new ATOM 0 HD13 ILE A 368 -1.276 6.741 -0.520 1.00 0.08 H new ATOM 503 N VAL A 369 -3.341 6.805 -2.971 1.00 0.07 N ATOM 504 CA VAL A 369 -4.473 7.169 -2.172 1.00 0.08 C ATOM 505 C VAL A 369 -4.681 6.112 -1.098 1.00 0.09 C ATOM 506 O VAL A 369 -4.798 4.919 -1.371 1.00 0.10 O ATOM 507 CB VAL A 369 -5.753 7.412 -3.026 1.00 0.08 C ATOM 508 CG1 VAL A 369 -5.506 7.123 -4.511 1.00 0.10 C ATOM 509 CG2 VAL A 369 -6.941 6.610 -2.500 1.00 0.09 C ATOM 0 H VAL A 369 -3.168 5.801 -3.009 1.00 0.07 H new ATOM 0 HA VAL A 369 -4.270 8.125 -1.690 1.00 0.08 H new ATOM 0 HB VAL A 369 -6.002 8.469 -2.934 1.00 0.08 H new ATOM 0 HG11 VAL A 369 -6.422 7.304 -5.074 1.00 0.10 H new ATOM 0 HG12 VAL A 369 -4.717 7.776 -4.882 1.00 0.10 H new ATOM 0 HG13 VAL A 369 -5.204 6.083 -4.634 1.00 0.10 H new ATOM 0 HG21 VAL A 369 -7.815 6.805 -3.121 1.00 0.09 H new ATOM 0 HG22 VAL A 369 -6.704 5.546 -2.531 1.00 0.09 H new ATOM 0 HG23 VAL A 369 -7.153 6.905 -1.472 1.00 0.09 H new ATOM 519 N SER A 370 -4.607 6.583 0.126 1.00 0.09 N ATOM 520 CA SER A 370 -4.824 5.774 1.319 1.00 0.08 C ATOM 521 C SER A 370 -6.310 5.507 1.534 1.00 0.08 C ATOM 522 O SER A 370 -7.110 5.717 0.624 1.00 0.10 O ATOM 523 CB SER A 370 -4.173 6.396 2.557 1.00 0.13 C ATOM 524 OG SER A 370 -3.443 5.424 3.253 1.00 1.26 O ATOM 0 H SER A 370 -4.390 7.558 0.332 1.00 0.09 H new ATOM 0 HA SER A 370 -4.335 4.813 1.159 1.00 0.08 H new ATOM 0 HB2 SER A 370 -3.516 7.213 2.261 1.00 0.13 H new ATOM 0 HB3 SER A 370 -4.939 6.822 3.206 1.00 0.13 H new ATOM 0 HG SER A 370 -4.044 4.703 3.534 1.00 1.26 H new ATOM 530 N GLY A 371 -6.690 5.006 2.692 1.00 0.09 N ATOM 531 CA GLY A 371 -8.073 4.641 2.879 1.00 0.12 C ATOM 532 C GLY A 371 -8.924 5.815 3.326 1.00 0.12 C ATOM 533 O GLY A 371 -8.417 6.916 3.552 1.00 0.14 O ATOM 0 H GLY A 371 -6.080 4.847 3.494 1.00 0.09 H new ATOM 0 HA2 GLY A 371 -8.470 4.242 1.946 1.00 0.12 H new ATOM 0 HA3 GLY A 371 -8.139 3.844 3.620 1.00 0.12 H new ATOM 537 N LYS A 372 -10.219 5.573 3.436 1.00 0.16 N ATOM 538 CA LYS A 372 -11.209 6.641 3.547 1.00 0.16 C ATOM 539 C LYS A 372 -11.276 7.219 4.968 1.00 0.18 C ATOM 540 O LYS A 372 -10.908 6.575 5.936 1.00 0.21 O ATOM 541 CB LYS A 372 -12.566 6.080 3.130 1.00 0.19 C ATOM 542 CG LYS A 372 -13.220 5.231 4.189 1.00 0.27 C ATOM 543 CD LYS A 372 -13.842 4.007 3.580 1.00 0.47 C ATOM 544 CE LYS A 372 -14.950 4.406 2.649 1.00 0.81 C ATOM 545 NZ LYS A 372 -15.520 3.255 1.901 1.00 0.79 N1+ ATOM 0 H LYS A 372 -10.617 4.634 3.451 1.00 0.16 H new ATOM 0 HA LYS A 372 -10.919 7.462 2.892 1.00 0.16 H new ATOM 0 HB2 LYS A 372 -13.230 6.907 2.878 1.00 0.19 H new ATOM 0 HB3 LYS A 372 -12.441 5.485 2.225 1.00 0.19 H new ATOM 0 HG2 LYS A 372 -12.481 4.937 4.934 1.00 0.27 H new ATOM 0 HG3 LYS A 372 -13.982 5.812 4.708 1.00 0.27 H new ATOM 0 HD2 LYS A 372 -13.088 3.436 3.038 1.00 0.47 H new ATOM 0 HD3 LYS A 372 -14.231 3.357 4.364 1.00 0.47 H new ATOM 0 HE2 LYS A 372 -15.742 4.889 3.221 1.00 0.81 H new ATOM 0 HE3 LYS A 372 -14.574 5.143 1.940 1.00 0.81 H new ATOM 0 HZ1 LYS A 372 -16.485 3.486 1.591 1.00 0.79 H new ATOM 0 HZ2 LYS A 372 -14.928 3.054 1.070 1.00 0.79 H new ATOM 0 HZ3 LYS A 372 -15.546 2.418 2.518 1.00 0.79 H new ATOM 559 N PRO A 373 -11.764 8.479 5.067 1.00 0.19 N ATOM 560 CA PRO A 373 -11.786 9.289 6.303 1.00 0.21 C ATOM 561 C PRO A 373 -12.528 8.642 7.431 1.00 0.24 C ATOM 562 O PRO A 373 -12.289 8.920 8.602 1.00 0.28 O ATOM 563 CB PRO A 373 -12.606 10.492 5.893 1.00 0.23 C ATOM 564 CG PRO A 373 -12.355 10.634 4.460 1.00 0.21 C ATOM 565 CD PRO A 373 -12.347 9.233 3.950 1.00 0.19 C ATOM 0 HA PRO A 373 -10.771 9.472 6.654 1.00 0.21 H new ATOM 0 HB2 PRO A 373 -13.666 10.338 6.097 1.00 0.23 H new ATOM 0 HB3 PRO A 373 -12.302 11.385 6.440 1.00 0.23 H new ATOM 0 HG2 PRO A 373 -13.130 11.229 3.977 1.00 0.21 H new ATOM 0 HG3 PRO A 373 -11.405 11.133 4.270 1.00 0.21 H new ATOM 0 HD2 PRO A 373 -13.352 8.885 3.709 1.00 0.19 H new ATOM 0 HD3 PRO A 373 -11.750 9.137 3.043 1.00 0.19 H new ATOM 573 N THR A 374 -13.498 7.863 7.039 1.00 0.25 N ATOM 574 CA THR A 374 -14.390 7.217 7.977 1.00 0.28 C ATOM 575 C THR A 374 -13.644 6.125 8.722 1.00 0.30 C ATOM 576 O THR A 374 -13.889 5.851 9.897 1.00 0.33 O ATOM 577 CB THR A 374 -15.599 6.611 7.247 1.00 0.29 C ATOM 578 OG1 THR A 374 -15.200 5.466 6.489 1.00 0.29 O ATOM 579 CG2 THR A 374 -16.185 7.629 6.301 1.00 0.29 C ATOM 0 H THR A 374 -13.697 7.654 6.061 1.00 0.25 H new ATOM 0 HA THR A 374 -14.750 7.964 8.685 1.00 0.28 H new ATOM 0 HB THR A 374 -16.339 6.318 7.992 1.00 0.29 H new ATOM 0 HG1 THR A 374 -15.980 5.089 6.031 1.00 0.29 H new ATOM 0 HG21 THR A 374 -17.042 7.196 5.785 1.00 0.29 H new ATOM 0 HG22 THR A 374 -16.505 8.506 6.863 1.00 0.29 H new ATOM 0 HG23 THR A 374 -15.432 7.922 5.570 1.00 0.29 H new ATOM 587 N THR A 375 -12.714 5.528 8.002 1.00 0.28 N ATOM 588 CA THR A 375 -11.872 4.466 8.514 1.00 0.31 C ATOM 589 C THR A 375 -10.461 4.642 7.985 1.00 0.29 C ATOM 590 O THR A 375 -9.956 3.910 7.132 1.00 0.29 O ATOM 591 CB THR A 375 -12.454 3.099 8.183 1.00 0.34 C ATOM 592 OG1 THR A 375 -11.490 2.056 8.380 1.00 0.39 O ATOM 593 CG2 THR A 375 -12.984 3.082 6.759 1.00 0.31 C ATOM 0 H THR A 375 -12.520 5.771 7.031 1.00 0.28 H new ATOM 0 HA THR A 375 -11.832 4.524 9.602 1.00 0.31 H new ATOM 0 HB THR A 375 -13.282 2.912 8.866 1.00 0.34 H new ATOM 0 HG1 THR A 375 -10.658 2.288 7.918 1.00 0.39 H new ATOM 0 HG21 THR A 375 -13.397 2.098 6.536 1.00 0.31 H new ATOM 0 HG22 THR A 375 -13.764 3.836 6.652 1.00 0.31 H new ATOM 0 HG23 THR A 375 -12.172 3.300 6.066 1.00 0.31 H new ATOM 601 N PRO A 376 -9.854 5.673 8.527 1.00 0.28 N ATOM 602 CA PRO A 376 -8.565 6.218 8.137 1.00 0.26 C ATOM 603 C PRO A 376 -7.425 5.251 8.243 1.00 0.26 C ATOM 604 O PRO A 376 -7.454 4.307 9.041 1.00 0.38 O ATOM 605 CB PRO A 376 -8.388 7.353 9.137 1.00 0.29 C ATOM 606 CG PRO A 376 -9.754 7.729 9.462 1.00 0.32 C ATOM 607 CD PRO A 376 -10.432 6.429 9.612 1.00 0.32 C ATOM 0 HA PRO A 376 -8.554 6.508 7.086 1.00 0.26 H new ATOM 0 HB2 PRO A 376 -7.839 7.028 10.021 1.00 0.29 H new ATOM 0 HB3 PRO A 376 -7.833 8.186 8.706 1.00 0.29 H new ATOM 0 HG2 PRO A 376 -9.803 8.317 10.378 1.00 0.32 H new ATOM 0 HG3 PRO A 376 -10.205 8.330 8.673 1.00 0.32 H new ATOM 0 HD2 PRO A 376 -10.233 5.972 10.581 1.00 0.32 H new ATOM 0 HD3 PRO A 376 -11.514 6.518 9.518 1.00 0.32 H new ATOM 615 N THR A 377 -6.410 5.495 7.448 1.00 0.17 N ATOM 616 CA THR A 377 -5.220 4.729 7.557 1.00 0.21 C ATOM 617 C THR A 377 -4.362 5.342 8.671 1.00 0.17 C ATOM 618 O THR A 377 -4.413 6.545 8.925 1.00 0.21 O ATOM 619 CB THR A 377 -4.469 4.637 6.204 1.00 0.33 C ATOM 620 OG1 THR A 377 -3.981 3.306 6.007 1.00 0.82 O ATOM 621 CG2 THR A 377 -3.299 5.593 6.136 1.00 0.22 C ATOM 0 H THR A 377 -6.397 6.216 6.727 1.00 0.17 H new ATOM 0 HA THR A 377 -5.461 3.699 7.819 1.00 0.21 H new ATOM 0 HB THR A 377 -5.181 4.907 5.424 1.00 0.33 H new ATOM 0 HG1 THR A 377 -4.554 2.839 5.364 1.00 0.82 H new ATOM 0 HG21 THR A 377 -2.803 5.493 5.170 1.00 0.22 H new ATOM 0 HG22 THR A 377 -3.657 6.615 6.256 1.00 0.22 H new ATOM 0 HG23 THR A 377 -2.592 5.360 6.932 1.00 0.22 H new ATOM 629 N PRO A 378 -3.600 4.501 9.368 1.00 0.14 N ATOM 630 CA PRO A 378 -2.950 4.827 10.643 1.00 0.15 C ATOM 631 C PRO A 378 -1.679 5.634 10.463 1.00 0.13 C ATOM 632 O PRO A 378 -1.415 6.575 11.210 1.00 0.16 O ATOM 633 CB PRO A 378 -2.599 3.427 11.176 1.00 0.17 C ATOM 634 CG PRO A 378 -3.365 2.491 10.314 1.00 0.19 C ATOM 635 CD PRO A 378 -3.292 3.136 8.988 1.00 0.17 C ATOM 0 HA PRO A 378 -3.581 5.434 11.292 1.00 0.15 H new ATOM 0 HB2 PRO A 378 -1.528 3.237 11.113 1.00 0.17 H new ATOM 0 HB3 PRO A 378 -2.880 3.320 12.224 1.00 0.17 H new ATOM 0 HG2 PRO A 378 -2.922 1.495 10.305 1.00 0.19 H new ATOM 0 HG3 PRO A 378 -4.395 2.379 10.653 1.00 0.19 H new ATOM 0 HD2 PRO A 378 -2.308 3.041 8.530 1.00 0.17 H new ATOM 0 HD3 PRO A 378 -4.014 2.725 8.282 1.00 0.17 H new ATOM 643 N ALA A 379 -0.916 5.246 9.467 1.00 0.11 N ATOM 644 CA ALA A 379 0.410 5.781 9.210 1.00 0.10 C ATOM 645 C ALA A 379 1.384 5.583 10.361 1.00 0.10 C ATOM 646 O ALA A 379 1.104 5.820 11.541 1.00 0.13 O ATOM 647 CB ALA A 379 0.385 7.221 8.741 1.00 0.11 C ATOM 0 H ALA A 379 -1.203 4.534 8.795 1.00 0.11 H new ATOM 0 HA ALA A 379 0.792 5.182 8.383 1.00 0.10 H new ATOM 0 HB1 ALA A 379 1.405 7.564 8.566 1.00 0.11 H new ATOM 0 HB2 ALA A 379 -0.186 7.292 7.815 1.00 0.11 H new ATOM 0 HB3 ALA A 379 -0.081 7.844 9.504 1.00 0.11 H new ATOM 653 N GLY A 380 2.542 5.146 9.950 1.00 0.10 N ATOM 654 CA GLY A 380 3.628 4.818 10.827 1.00 0.11 C ATOM 655 C GLY A 380 4.434 3.700 10.238 1.00 0.12 C ATOM 656 O GLY A 380 4.841 3.771 9.085 1.00 0.20 O ATOM 0 H GLY A 380 2.761 5.004 8.964 1.00 0.10 H new ATOM 0 HA2 GLY A 380 4.260 5.693 10.981 1.00 0.11 H new ATOM 0 HA3 GLY A 380 3.243 4.526 11.804 1.00 0.11 H new ATOM 660 N VAL A 381 4.617 2.644 11.001 1.00 0.12 N ATOM 661 CA VAL A 381 5.359 1.503 10.525 1.00 0.13 C ATOM 662 C VAL A 381 4.478 0.257 10.442 1.00 0.15 C ATOM 663 O VAL A 381 3.988 -0.267 11.444 1.00 0.25 O ATOM 664 CB VAL A 381 6.580 1.248 11.418 1.00 0.17 C ATOM 665 CG1 VAL A 381 6.176 0.838 12.825 1.00 0.79 C ATOM 666 CG2 VAL A 381 7.514 0.214 10.779 1.00 0.82 C ATOM 0 H VAL A 381 4.261 2.554 11.953 1.00 0.12 H new ATOM 0 HA VAL A 381 5.706 1.727 9.516 1.00 0.13 H new ATOM 0 HB VAL A 381 7.126 2.187 11.507 1.00 0.17 H new ATOM 0 HG11 VAL A 381 7.070 0.667 13.425 1.00 0.79 H new ATOM 0 HG12 VAL A 381 5.581 1.631 13.278 1.00 0.79 H new ATOM 0 HG13 VAL A 381 5.587 -0.078 12.782 1.00 0.79 H new ATOM 0 HG21 VAL A 381 8.373 0.049 11.429 1.00 0.82 H new ATOM 0 HG22 VAL A 381 6.977 -0.725 10.641 1.00 0.82 H new ATOM 0 HG23 VAL A 381 7.857 0.582 9.812 1.00 0.82 H new ATOM 676 N PHE A 382 4.241 -0.179 9.228 1.00 0.09 N ATOM 677 CA PHE A 382 3.571 -1.431 8.985 1.00 0.09 C ATOM 678 C PHE A 382 4.601 -2.357 8.355 1.00 0.09 C ATOM 679 O PHE A 382 5.777 -2.000 8.296 1.00 0.10 O ATOM 680 CB PHE A 382 2.320 -1.261 8.123 1.00 0.10 C ATOM 681 CG PHE A 382 1.569 0.005 8.410 1.00 0.11 C ATOM 682 CD1 PHE A 382 1.287 0.373 9.714 1.00 0.18 C ATOM 683 CD2 PHE A 382 1.165 0.844 7.379 1.00 0.12 C ATOM 684 CE1 PHE A 382 0.618 1.544 9.988 1.00 0.22 C ATOM 685 CE2 PHE A 382 0.500 2.012 7.653 1.00 0.15 C ATOM 686 CZ PHE A 382 0.226 2.364 8.958 1.00 0.18 C ATOM 0 H PHE A 382 4.508 0.325 8.382 1.00 0.09 H new ATOM 0 HA PHE A 382 3.199 -1.859 9.916 1.00 0.09 H new ATOM 0 HB2 PHE A 382 2.607 -1.274 7.072 1.00 0.10 H new ATOM 0 HB3 PHE A 382 1.658 -2.112 8.284 1.00 0.10 H new ATOM 0 HD1 PHE A 382 1.596 -0.267 10.527 1.00 0.18 H new ATOM 0 HD2 PHE A 382 1.376 0.575 6.355 1.00 0.12 H new ATOM 0 HE1 PHE A 382 0.402 1.818 11.010 1.00 0.22 H new ATOM 0 HE2 PHE A 382 0.190 2.658 6.845 1.00 0.15 H new ATOM 0 HZ PHE A 382 -0.297 3.285 9.170 1.00 0.18 H new ATOM 696 N TYR A 383 4.232 -3.532 7.906 1.00 0.11 N ATOM 697 CA TYR A 383 5.263 -4.477 7.525 1.00 0.11 C ATOM 698 C TYR A 383 4.885 -5.347 6.326 1.00 0.11 C ATOM 699 O TYR A 383 3.839 -5.989 6.319 1.00 0.13 O ATOM 700 CB TYR A 383 5.522 -5.337 8.745 1.00 0.13 C ATOM 701 CG TYR A 383 6.779 -6.138 8.657 1.00 0.21 C ATOM 702 CD1 TYR A 383 8.012 -5.562 8.927 1.00 0.25 C ATOM 703 CD2 TYR A 383 6.724 -7.473 8.319 1.00 0.37 C ATOM 704 CE1 TYR A 383 9.163 -6.321 8.868 1.00 0.39 C ATOM 705 CE2 TYR A 383 7.853 -8.240 8.246 1.00 0.49 C ATOM 706 CZ TYR A 383 9.078 -7.667 8.525 1.00 0.50 C ATOM 707 OH TYR A 383 10.212 -8.444 8.489 1.00 0.65 O ATOM 0 H TYR A 383 3.270 -3.852 7.797 1.00 0.11 H new ATOM 0 HA TYR A 383 6.150 -3.931 7.205 1.00 0.11 H new ATOM 0 HB2 TYR A 383 5.570 -4.697 9.626 1.00 0.13 H new ATOM 0 HB3 TYR A 383 4.679 -6.014 8.888 1.00 0.13 H new ATOM 0 HD1 TYR A 383 8.071 -4.515 9.185 1.00 0.25 H new ATOM 0 HD2 TYR A 383 5.766 -7.924 8.107 1.00 0.37 H new ATOM 0 HE1 TYR A 383 10.122 -5.874 9.086 1.00 0.39 H new ATOM 0 HE2 TYR A 383 7.788 -9.283 7.973 1.00 0.49 H new ATOM 0 HH TYR A 383 10.977 -7.894 8.220 1.00 0.65 H new ATOM 717 N VAL A 384 5.748 -5.350 5.298 1.00 0.09 N ATOM 718 CA VAL A 384 5.610 -6.300 4.198 1.00 0.09 C ATOM 719 C VAL A 384 6.315 -7.586 4.550 1.00 0.13 C ATOM 720 O VAL A 384 7.523 -7.757 4.362 1.00 0.16 O ATOM 721 CB VAL A 384 6.089 -5.779 2.815 1.00 0.07 C ATOM 722 CG1 VAL A 384 7.375 -5.020 2.918 1.00 0.07 C ATOM 723 CG2 VAL A 384 6.242 -6.924 1.805 1.00 0.08 C ATOM 0 H VAL A 384 6.538 -4.711 5.211 1.00 0.09 H new ATOM 0 HA VAL A 384 4.539 -6.464 4.079 1.00 0.09 H new ATOM 0 HB VAL A 384 5.317 -5.097 2.458 1.00 0.07 H new ATOM 0 HG11 VAL A 384 7.674 -4.674 1.928 1.00 0.07 H new ATOM 0 HG12 VAL A 384 7.239 -4.162 3.577 1.00 0.07 H new ATOM 0 HG13 VAL A 384 8.150 -5.670 3.324 1.00 0.07 H new ATOM 0 HG21 VAL A 384 6.578 -6.523 0.849 1.00 0.08 H new ATOM 0 HG22 VAL A 384 6.975 -7.641 2.176 1.00 0.08 H new ATOM 0 HG23 VAL A 384 5.282 -7.422 1.672 1.00 0.08 H new ATOM 733 N TRP A 385 5.526 -8.482 5.082 1.00 0.18 N ATOM 734 CA TRP A 385 5.990 -9.805 5.436 1.00 0.23 C ATOM 735 C TRP A 385 6.286 -10.562 4.154 1.00 0.12 C ATOM 736 O TRP A 385 6.992 -11.568 4.161 1.00 0.21 O ATOM 737 CB TRP A 385 4.916 -10.536 6.240 1.00 0.48 C ATOM 738 CG TRP A 385 4.600 -9.926 7.571 1.00 0.45 C ATOM 739 CD1 TRP A 385 3.792 -8.851 7.820 1.00 0.57 C ATOM 740 CD2 TRP A 385 5.072 -10.374 8.845 1.00 1.08 C ATOM 741 NE1 TRP A 385 3.746 -8.601 9.163 1.00 1.17 N ATOM 742 CE2 TRP A 385 4.519 -9.520 9.814 1.00 1.54 C ATOM 743 CE3 TRP A 385 5.911 -11.410 9.260 1.00 1.37 C ATOM 744 CZ2 TRP A 385 4.773 -9.669 11.168 1.00 2.27 C ATOM 745 CZ3 TRP A 385 6.165 -11.557 10.609 1.00 2.11 C ATOM 746 CH2 TRP A 385 5.598 -10.690 11.550 1.00 2.55 C ATOM 0 H TRP A 385 4.540 -8.318 5.284 1.00 0.18 H new ATOM 0 HA TRP A 385 6.890 -9.737 6.047 1.00 0.23 H new ATOM 0 HB2 TRP A 385 4.002 -10.573 5.648 1.00 0.48 H new ATOM 0 HB3 TRP A 385 5.237 -11.566 6.396 1.00 0.48 H new ATOM 0 HD1 TRP A 385 3.267 -8.283 7.066 1.00 0.57 H new ATOM 0 HE1 TRP A 385 3.219 -7.849 9.608 1.00 1.17 H new ATOM 0 HE3 TRP A 385 6.353 -12.083 8.540 1.00 1.37 H new ATOM 0 HZ2 TRP A 385 4.335 -9.002 11.896 1.00 2.27 H new ATOM 0 HZ3 TRP A 385 6.812 -12.354 10.944 1.00 2.11 H new ATOM 0 HH2 TRP A 385 5.816 -10.830 12.598 1.00 2.55 H new ATOM 757 N ASN A 386 5.749 -10.048 3.052 1.00 0.10 N ATOM 758 CA ASN A 386 5.873 -10.700 1.760 1.00 0.14 C ATOM 759 C ASN A 386 5.402 -9.791 0.641 1.00 0.11 C ATOM 760 O ASN A 386 4.369 -9.146 0.745 1.00 0.12 O ATOM 761 CB ASN A 386 5.097 -12.025 1.710 1.00 0.27 C ATOM 762 CG ASN A 386 5.234 -12.734 0.366 1.00 0.33 C ATOM 763 OD1 ASN A 386 6.171 -13.503 0.149 1.00 0.43 O ATOM 764 ND2 ASN A 386 4.297 -12.494 -0.537 1.00 0.31 N ATOM 0 H ASN A 386 5.221 -9.176 3.032 1.00 0.10 H new ATOM 0 HA ASN A 386 6.932 -10.918 1.620 1.00 0.14 H new ATOM 0 HB2 ASN A 386 5.456 -12.682 2.502 1.00 0.27 H new ATOM 0 HB3 ASN A 386 4.043 -11.832 1.909 1.00 0.27 H new ATOM 0 HD21 ASN A 386 4.337 -12.952 -1.447 1.00 0.31 H new ATOM 0 HD22 ASN A 386 3.535 -11.851 -0.323 1.00 0.31 H new ATOM 771 N LYS A 387 6.181 -9.748 -0.414 1.00 0.11 N ATOM 772 CA LYS A 387 5.796 -9.079 -1.646 1.00 0.09 C ATOM 773 C LYS A 387 5.127 -10.100 -2.551 1.00 0.08 C ATOM 774 O LYS A 387 5.636 -11.204 -2.757 1.00 0.13 O ATOM 775 CB LYS A 387 7.025 -8.494 -2.353 1.00 0.13 C ATOM 776 CG LYS A 387 8.354 -8.809 -1.687 1.00 0.38 C ATOM 777 CD LYS A 387 8.692 -10.267 -1.844 1.00 0.20 C ATOM 778 CE LYS A 387 9.292 -10.569 -3.192 1.00 0.40 C ATOM 779 NZ LYS A 387 10.577 -9.848 -3.413 1.00 1.12 N1+ ATOM 0 H LYS A 387 7.106 -10.177 -0.448 1.00 0.11 H new ATOM 0 HA LYS A 387 5.113 -8.260 -1.418 1.00 0.09 H new ATOM 0 HB2 LYS A 387 7.050 -8.868 -3.377 1.00 0.13 H new ATOM 0 HB3 LYS A 387 6.912 -7.411 -2.412 1.00 0.13 H new ATOM 0 HG2 LYS A 387 9.142 -8.198 -2.128 1.00 0.38 H new ATOM 0 HG3 LYS A 387 8.306 -8.553 -0.629 1.00 0.38 H new ATOM 0 HD2 LYS A 387 9.392 -10.562 -1.062 1.00 0.20 H new ATOM 0 HD3 LYS A 387 7.790 -10.864 -1.707 1.00 0.20 H new ATOM 0 HE2 LYS A 387 9.460 -11.642 -3.280 1.00 0.40 H new ATOM 0 HE3 LYS A 387 8.584 -10.292 -3.973 1.00 0.40 H new ATOM 0 HZ1 LYS A 387 10.495 -9.242 -4.254 1.00 1.12 H new ATOM 0 HZ2 LYS A 387 10.792 -9.260 -2.583 1.00 1.12 H new ATOM 0 HZ3 LYS A 387 11.342 -10.538 -3.557 1.00 1.12 H new ATOM 793 N GLU A 388 3.966 -9.734 -3.044 1.00 0.09 N ATOM 794 CA GLU A 388 3.107 -10.629 -3.782 1.00 0.10 C ATOM 795 C GLU A 388 3.029 -10.257 -5.251 1.00 0.10 C ATOM 796 O GLU A 388 3.248 -9.111 -5.633 1.00 0.10 O ATOM 797 CB GLU A 388 1.700 -10.515 -3.236 1.00 0.09 C ATOM 798 CG GLU A 388 1.100 -11.747 -2.660 1.00 0.15 C ATOM 799 CD GLU A 388 1.610 -12.124 -1.296 1.00 0.38 C ATOM 800 OE1 GLU A 388 1.920 -11.208 -0.506 1.00 0.71 O1- ATOM 801 OE2 GLU A 388 1.739 -13.322 -1.009 1.00 0.69 O ATOM 0 H GLU A 388 3.587 -8.793 -2.942 1.00 0.09 H new ATOM 0 HA GLU A 388 3.519 -11.633 -3.679 1.00 0.10 H new ATOM 0 HB2 GLU A 388 1.697 -9.744 -2.466 1.00 0.09 H new ATOM 0 HB3 GLU A 388 1.052 -10.166 -4.040 1.00 0.09 H new ATOM 0 HG2 GLU A 388 0.019 -11.615 -2.604 1.00 0.15 H new ATOM 0 HG3 GLU A 388 1.285 -12.577 -3.343 1.00 0.15 H new ATOM 808 N GLU A 389 2.651 -11.240 -6.035 1.00 0.10 N ATOM 809 CA GLU A 389 2.378 -11.094 -7.445 1.00 0.11 C ATOM 810 C GLU A 389 1.097 -11.811 -7.768 1.00 0.16 C ATOM 811 O GLU A 389 0.912 -12.954 -7.343 1.00 0.28 O ATOM 812 CB GLU A 389 3.481 -11.684 -8.295 1.00 0.14 C ATOM 813 CG GLU A 389 4.676 -10.795 -8.434 1.00 0.16 C ATOM 814 CD GLU A 389 5.728 -11.398 -9.339 1.00 0.27 C ATOM 815 OE1 GLU A 389 6.174 -12.531 -9.065 1.00 0.33 O1- ATOM 816 OE2 GLU A 389 6.089 -10.761 -10.350 1.00 0.38 O ATOM 0 H GLU A 389 2.521 -12.194 -5.697 1.00 0.10 H new ATOM 0 HA GLU A 389 2.305 -10.029 -7.665 1.00 0.11 H new ATOM 0 HB2 GLU A 389 3.794 -12.633 -7.860 1.00 0.14 H new ATOM 0 HB3 GLU A 389 3.085 -11.903 -9.287 1.00 0.14 H new ATOM 0 HG2 GLU A 389 4.365 -9.829 -8.832 1.00 0.16 H new ATOM 0 HG3 GLU A 389 5.107 -10.610 -7.450 1.00 0.16 H new ATOM 823 N ASP A 390 0.231 -11.152 -8.511 1.00 0.12 N ATOM 824 CA ASP A 390 -1.049 -11.731 -8.894 1.00 0.15 C ATOM 825 C ASP A 390 -1.774 -12.192 -7.634 1.00 0.16 C ATOM 826 O ASP A 390 -2.286 -13.306 -7.507 1.00 0.25 O ATOM 827 CB ASP A 390 -0.794 -12.853 -9.892 1.00 0.19 C ATOM 828 CG ASP A 390 -2.036 -13.653 -10.235 1.00 0.28 C ATOM 829 OD1 ASP A 390 -3.020 -13.055 -10.722 1.00 0.41 O ATOM 830 OD2 ASP A 390 -2.032 -14.885 -10.026 1.00 0.36 O1- ATOM 0 H ASP A 390 0.388 -10.209 -8.866 1.00 0.12 H new ATOM 0 HA ASP A 390 -1.696 -11.004 -9.386 1.00 0.15 H new ATOM 0 HB2 ASP A 390 -0.382 -12.428 -10.807 1.00 0.19 H new ATOM 0 HB3 ASP A 390 -0.039 -13.526 -9.485 1.00 0.19 H new ATOM 835 N ALA A 391 -1.749 -11.279 -6.683 1.00 0.12 N ATOM 836 CA ALA A 391 -2.355 -11.446 -5.389 1.00 0.11 C ATOM 837 C ALA A 391 -3.809 -11.091 -5.487 1.00 0.10 C ATOM 838 O ALA A 391 -4.236 -10.512 -6.466 1.00 0.11 O ATOM 839 CB ALA A 391 -1.681 -10.510 -4.420 1.00 0.10 C ATOM 0 H ALA A 391 -1.291 -10.375 -6.799 1.00 0.12 H new ATOM 0 HA ALA A 391 -2.248 -12.476 -5.049 1.00 0.11 H new ATOM 0 HB1 ALA A 391 -2.129 -10.624 -3.433 1.00 0.10 H new ATOM 0 HB2 ALA A 391 -0.618 -10.746 -4.366 1.00 0.10 H new ATOM 0 HB3 ALA A 391 -1.807 -9.482 -4.759 1.00 0.10 H new ATOM 845 N THR A 392 -4.581 -11.453 -4.509 1.00 0.11 N ATOM 846 CA THR A 392 -5.934 -10.968 -4.460 1.00 0.11 C ATOM 847 C THR A 392 -6.274 -10.456 -3.090 1.00 0.11 C ATOM 848 O THR A 392 -6.207 -11.169 -2.089 1.00 0.14 O ATOM 849 CB THR A 392 -6.967 -12.009 -4.917 1.00 0.15 C ATOM 850 OG1 THR A 392 -6.583 -12.555 -6.185 1.00 0.17 O ATOM 851 CG2 THR A 392 -8.337 -11.366 -5.044 1.00 0.15 C ATOM 0 H THR A 392 -4.309 -12.071 -3.745 1.00 0.11 H new ATOM 0 HA THR A 392 -5.985 -10.143 -5.171 1.00 0.11 H new ATOM 0 HB THR A 392 -7.009 -12.806 -4.174 1.00 0.15 H new ATOM 0 HG1 THR A 392 -7.245 -13.219 -6.469 1.00 0.17 H new ATOM 0 HG21 THR A 392 -9.061 -12.113 -5.369 1.00 0.15 H new ATOM 0 HG22 THR A 392 -8.640 -10.962 -4.078 1.00 0.15 H new ATOM 0 HG23 THR A 392 -8.294 -10.560 -5.777 1.00 0.15 H new ATOM 859 N LEU A 393 -6.616 -9.199 -3.075 1.00 0.10 N ATOM 860 CA LEU A 393 -6.979 -8.504 -1.861 1.00 0.12 C ATOM 861 C LEU A 393 -8.383 -8.835 -1.438 1.00 0.15 C ATOM 862 O LEU A 393 -9.349 -8.184 -1.818 1.00 0.16 O ATOM 863 CB LEU A 393 -6.837 -7.025 -2.100 1.00 0.11 C ATOM 864 CG LEU A 393 -5.442 -6.433 -1.979 1.00 0.25 C ATOM 865 CD1 LEU A 393 -4.422 -7.376 -2.540 1.00 0.57 C ATOM 866 CD2 LEU A 393 -5.384 -5.145 -2.747 1.00 0.51 C ATOM 0 H LEU A 393 -6.653 -8.617 -3.912 1.00 0.10 H new ATOM 0 HA LEU A 393 -6.318 -8.821 -1.055 1.00 0.12 H new ATOM 0 HB2 LEU A 393 -7.211 -6.807 -3.100 1.00 0.11 H new ATOM 0 HB3 LEU A 393 -7.487 -6.505 -1.396 1.00 0.11 H new ATOM 0 HG LEU A 393 -5.226 -6.258 -0.925 1.00 0.25 H new ATOM 0 HD11 LEU A 393 -3.429 -6.936 -2.445 1.00 0.57 H new ATOM 0 HD12 LEU A 393 -4.456 -8.317 -1.991 1.00 0.57 H new ATOM 0 HD13 LEU A 393 -4.638 -7.561 -3.592 1.00 0.57 H new ATOM 0 HD21 LEU A 393 -4.385 -4.716 -2.663 1.00 0.51 H new ATOM 0 HD22 LEU A 393 -5.610 -5.336 -3.796 1.00 0.51 H new ATOM 0 HD23 LEU A 393 -6.114 -4.446 -2.340 1.00 0.51 H new ATOM 878 N LYS A 394 -8.466 -9.872 -0.678 1.00 0.18 N ATOM 879 CA LYS A 394 -9.712 -10.346 -0.143 1.00 0.23 C ATOM 880 C LYS A 394 -9.907 -10.022 1.303 1.00 0.29 C ATOM 881 O LYS A 394 -9.065 -9.391 1.948 1.00 0.29 O ATOM 882 CB LYS A 394 -9.698 -11.802 -0.330 1.00 0.25 C ATOM 883 CG LYS A 394 -9.683 -12.114 -1.751 1.00 0.23 C ATOM 884 CD LYS A 394 -10.164 -13.457 -1.941 1.00 0.27 C ATOM 885 CE LYS A 394 -9.528 -13.928 -3.171 1.00 0.27 C ATOM 886 NZ LYS A 394 -9.810 -15.351 -3.493 1.00 0.33 N1+ ATOM 0 H LYS A 394 -7.659 -10.431 -0.401 1.00 0.18 H new ATOM 0 HA LYS A 394 -10.536 -9.854 -0.659 1.00 0.23 H new ATOM 0 HB2 LYS A 394 -8.822 -12.232 0.156 1.00 0.25 H new ATOM 0 HB3 LYS A 394 -10.575 -12.247 0.141 1.00 0.25 H new ATOM 0 HG2 LYS A 394 -10.309 -11.409 -2.298 1.00 0.23 H new ATOM 0 HG3 LYS A 394 -8.672 -12.017 -2.147 1.00 0.23 H new ATOM 0 HD2 LYS A 394 -9.901 -14.092 -1.095 1.00 0.27 H new ATOM 0 HD3 LYS A 394 -11.250 -13.476 -2.028 1.00 0.27 H new ATOM 0 HE2 LYS A 394 -9.862 -13.306 -4.001 1.00 0.27 H new ATOM 0 HE3 LYS A 394 -8.450 -13.793 -3.085 1.00 0.27 H new ATOM 0 HZ1 LYS A 394 -9.326 -15.610 -4.376 1.00 0.33 H new ATOM 0 HZ2 LYS A 394 -9.467 -15.956 -2.720 1.00 0.33 H new ATOM 0 HZ3 LYS A 394 -10.835 -15.484 -3.608 1.00 0.33 H new ATOM 1015 N GLU A 404 -13.058 -8.860 -2.882 1.00 0.25 N ATOM 1016 CA GLU A 404 -11.822 -9.257 -3.510 1.00 0.21 C ATOM 1017 C GLU A 404 -11.305 -8.143 -4.391 1.00 0.20 C ATOM 1018 O GLU A 404 -12.077 -7.375 -4.962 1.00 0.23 O ATOM 1019 CB GLU A 404 -12.007 -10.503 -4.363 1.00 0.22 C ATOM 1020 CG GLU A 404 -12.241 -11.762 -3.555 1.00 0.24 C ATOM 1021 CD GLU A 404 -13.616 -12.363 -3.767 1.00 0.31 C ATOM 1022 OE1 GLU A 404 -14.619 -11.656 -3.556 1.00 0.53 O ATOM 1023 OE2 GLU A 404 -13.702 -13.550 -4.140 1.00 0.39 O1- ATOM 0 HA GLU A 404 -11.108 -9.474 -2.716 1.00 0.21 H new ATOM 0 HB2 GLU A 404 -12.851 -10.351 -5.035 1.00 0.22 H new ATOM 0 HB3 GLU A 404 -11.124 -10.641 -4.987 1.00 0.22 H new ATOM 0 HG2 GLU A 404 -11.484 -12.501 -3.819 1.00 0.24 H new ATOM 0 HG3 GLU A 404 -12.110 -11.536 -2.497 1.00 0.24 H new ATOM 1030 N SER A 405 -9.999 -8.035 -4.464 1.00 0.16 N ATOM 1031 CA SER A 405 -9.370 -7.163 -5.417 1.00 0.15 C ATOM 1032 C SER A 405 -8.106 -7.821 -5.884 1.00 0.13 C ATOM 1033 O SER A 405 -7.073 -7.753 -5.221 1.00 0.11 O ATOM 1034 CB SER A 405 -9.014 -5.819 -4.797 1.00 0.15 C ATOM 1035 OG SER A 405 -9.914 -5.465 -3.754 1.00 0.19 O ATOM 0 H SER A 405 -9.350 -8.547 -3.867 1.00 0.16 H new ATOM 0 HA SER A 405 -10.063 -6.986 -6.240 1.00 0.15 H new ATOM 0 HB2 SER A 405 -7.998 -5.858 -4.403 1.00 0.15 H new ATOM 0 HB3 SER A 405 -9.028 -5.048 -5.567 1.00 0.15 H new ATOM 0 HG SER A 405 -9.654 -4.598 -3.378 1.00 0.19 H new ATOM 1041 N PRO A 406 -8.170 -8.480 -7.025 1.00 0.15 N ATOM 1042 CA PRO A 406 -7.037 -9.177 -7.566 1.00 0.14 C ATOM 1043 C PRO A 406 -5.995 -8.202 -8.020 1.00 0.13 C ATOM 1044 O PRO A 406 -6.147 -7.489 -9.011 1.00 0.17 O ATOM 1045 CB PRO A 406 -7.619 -10.002 -8.711 1.00 0.18 C ATOM 1046 CG PRO A 406 -9.079 -9.973 -8.459 1.00 0.19 C ATOM 1047 CD PRO A 406 -9.340 -8.636 -7.865 1.00 0.18 C ATOM 0 HA PRO A 406 -6.529 -9.815 -6.842 1.00 0.14 H new ATOM 0 HB2 PRO A 406 -7.372 -9.571 -9.681 1.00 0.18 H new ATOM 0 HB3 PRO A 406 -7.232 -11.021 -8.707 1.00 0.18 H new ATOM 0 HG2 PRO A 406 -9.642 -10.111 -9.382 1.00 0.19 H new ATOM 0 HG3 PRO A 406 -9.378 -10.772 -7.780 1.00 0.19 H new ATOM 0 HD2 PRO A 406 -9.413 -7.855 -8.621 1.00 0.18 H new ATOM 0 HD3 PRO A 406 -10.267 -8.612 -7.292 1.00 0.18 H new ATOM 1055 N VAL A 407 -4.933 -8.210 -7.273 1.00 0.10 N ATOM 1056 CA VAL A 407 -3.911 -7.236 -7.351 1.00 0.09 C ATOM 1057 C VAL A 407 -2.699 -7.899 -7.983 1.00 0.11 C ATOM 1058 O VAL A 407 -2.570 -9.115 -7.964 1.00 0.15 O ATOM 1059 CB VAL A 407 -3.677 -6.747 -5.904 1.00 0.08 C ATOM 1060 CG1 VAL A 407 -2.422 -7.235 -5.270 1.00 0.07 C ATOM 1061 CG2 VAL A 407 -3.857 -5.268 -5.739 1.00 0.08 C ATOM 0 H VAL A 407 -4.757 -8.927 -6.569 1.00 0.10 H new ATOM 0 HA VAL A 407 -4.153 -6.370 -7.967 1.00 0.09 H new ATOM 0 HB VAL A 407 -4.479 -7.227 -5.343 1.00 0.08 H new ATOM 0 HG11 VAL A 407 -2.348 -6.838 -4.257 1.00 0.07 H new ATOM 0 HG12 VAL A 407 -2.433 -8.324 -5.233 1.00 0.07 H new ATOM 0 HG13 VAL A 407 -1.565 -6.900 -5.855 1.00 0.07 H new ATOM 0 HG21 VAL A 407 -3.678 -4.993 -4.699 1.00 0.08 H new ATOM 0 HG22 VAL A 407 -3.150 -4.742 -6.380 1.00 0.08 H new ATOM 0 HG23 VAL A 407 -4.874 -4.992 -6.017 1.00 0.08 H new ATOM 1071 N ASN A 408 -1.851 -7.125 -8.589 1.00 0.11 N ATOM 1072 CA ASN A 408 -0.721 -7.672 -9.307 1.00 0.12 C ATOM 1073 C ASN A 408 0.426 -7.821 -8.354 1.00 0.10 C ATOM 1074 O ASN A 408 1.332 -8.619 -8.569 1.00 0.11 O ATOM 1075 CB ASN A 408 -0.358 -6.742 -10.447 1.00 0.15 C ATOM 1076 CG ASN A 408 -1.460 -6.672 -11.469 1.00 0.19 C ATOM 1077 OD1 ASN A 408 -1.436 -7.361 -12.486 1.00 0.51 O ATOM 1078 ND2 ASN A 408 -2.452 -5.857 -11.186 1.00 0.38 N ATOM 0 H ASN A 408 -1.913 -6.107 -8.605 1.00 0.11 H new ATOM 0 HA ASN A 408 -0.966 -8.649 -9.723 1.00 0.12 H new ATOM 0 HB2 ASN A 408 -0.159 -5.744 -10.056 1.00 0.15 H new ATOM 0 HB3 ASN A 408 0.560 -7.087 -10.922 1.00 0.15 H new ATOM 0 HD21 ASN A 408 -3.245 -5.778 -11.823 1.00 0.38 H new ATOM 0 HD22 ASN A 408 -2.429 -5.304 -10.329 1.00 0.38 H new ATOM 1085 N TYR A 409 0.350 -7.059 -7.278 1.00 0.08 N ATOM 1086 CA TYR A 409 1.455 -6.903 -6.352 1.00 0.06 C ATOM 1087 C TYR A 409 0.906 -6.468 -5.012 1.00 0.06 C ATOM 1088 O TYR A 409 0.201 -5.462 -4.914 1.00 0.06 O ATOM 1089 CB TYR A 409 2.484 -5.887 -6.867 1.00 0.06 C ATOM 1090 CG TYR A 409 3.100 -6.276 -8.189 1.00 0.08 C ATOM 1091 CD1 TYR A 409 4.243 -7.059 -8.231 1.00 0.11 C ATOM 1092 CD2 TYR A 409 2.573 -5.822 -9.388 1.00 0.13 C ATOM 1093 CE1 TYR A 409 4.846 -7.379 -9.426 1.00 0.17 C ATOM 1094 CE2 TYR A 409 3.164 -6.147 -10.592 1.00 0.18 C ATOM 1095 CZ TYR A 409 4.162 -7.058 -10.632 1.00 0.17 C ATOM 1096 OH TYR A 409 4.897 -7.247 -11.806 1.00 0.27 O ATOM 0 H TYR A 409 -0.483 -6.529 -7.022 1.00 0.08 H new ATOM 0 HA TYR A 409 1.971 -7.858 -6.252 1.00 0.06 H new ATOM 0 HB2 TYR A 409 2.003 -4.914 -6.971 1.00 0.06 H new ATOM 0 HB3 TYR A 409 3.275 -5.774 -6.125 1.00 0.06 H new ATOM 0 HD1 TYR A 409 4.669 -7.425 -7.308 1.00 0.11 H new ATOM 0 HD2 TYR A 409 1.687 -5.205 -9.380 1.00 0.13 H new ATOM 0 HE1 TYR A 409 5.812 -7.861 -9.448 1.00 0.17 H new ATOM 0 HE2 TYR A 409 2.829 -5.673 -11.503 1.00 0.18 H new ATOM 0 HH TYR A 409 4.347 -7.002 -12.579 1.00 0.27 H new ATOM 1106 N TRP A 410 1.256 -7.206 -3.991 1.00 0.06 N ATOM 1107 CA TRP A 410 0.615 -7.097 -2.696 1.00 0.06 C ATOM 1108 C TRP A 410 1.628 -7.260 -1.598 1.00 0.06 C ATOM 1109 O TRP A 410 2.574 -8.022 -1.716 1.00 0.09 O ATOM 1110 CB TRP A 410 -0.439 -8.183 -2.640 1.00 0.07 C ATOM 1111 CG TRP A 410 -1.132 -8.386 -1.345 1.00 0.07 C ATOM 1112 CD1 TRP A 410 -1.338 -9.577 -0.766 1.00 0.08 C ATOM 1113 CD2 TRP A 410 -1.727 -7.405 -0.503 1.00 0.06 C ATOM 1114 NE1 TRP A 410 -2.045 -9.422 0.393 1.00 0.08 N ATOM 1115 CE2 TRP A 410 -2.298 -8.077 0.586 1.00 0.07 C ATOM 1116 CE3 TRP A 410 -1.828 -6.030 -0.575 1.00 0.06 C ATOM 1117 CZ2 TRP A 410 -2.977 -7.386 1.607 1.00 0.07 C ATOM 1118 CZ3 TRP A 410 -2.485 -5.346 0.414 1.00 0.07 C ATOM 1119 CH2 TRP A 410 -3.060 -6.018 1.498 1.00 0.07 C ATOM 0 H TRP A 410 1.998 -7.905 -4.029 1.00 0.06 H new ATOM 0 HA TRP A 410 0.158 -6.117 -2.559 1.00 0.06 H new ATOM 0 HB2 TRP A 410 -1.193 -7.962 -3.396 1.00 0.07 H new ATOM 0 HB3 TRP A 410 0.030 -9.125 -2.924 1.00 0.07 H new ATOM 0 HD1 TRP A 410 -0.995 -10.523 -1.159 1.00 0.08 H new ATOM 0 HE1 TRP A 410 -2.338 -10.176 1.014 1.00 0.08 H new ATOM 0 HE3 TRP A 410 -1.392 -5.496 -1.406 1.00 0.06 H new ATOM 0 HZ2 TRP A 410 -3.416 -7.910 2.443 1.00 0.07 H new ATOM 0 HZ3 TRP A 410 -2.560 -4.270 0.356 1.00 0.07 H new ATOM 0 HH2 TRP A 410 -3.577 -5.454 2.260 1.00 0.07 H new ATOM 1130 N MET A 411 1.462 -6.487 -0.564 1.00 0.08 N ATOM 1131 CA MET A 411 2.284 -6.618 0.603 1.00 0.09 C ATOM 1132 C MET A 411 1.357 -6.771 1.797 1.00 0.12 C ATOM 1133 O MET A 411 0.829 -5.772 2.293 1.00 0.14 O ATOM 1134 CB MET A 411 3.163 -5.383 0.783 1.00 0.10 C ATOM 1135 CG MET A 411 3.833 -4.850 -0.482 1.00 0.09 C ATOM 1136 SD MET A 411 5.050 -5.977 -1.181 1.00 0.06 S ATOM 1137 CE MET A 411 5.895 -4.908 -2.344 1.00 0.06 C ATOM 0 H MET A 411 0.757 -5.752 -0.506 1.00 0.08 H new ATOM 0 HA MET A 411 2.941 -7.482 0.506 1.00 0.09 H new ATOM 0 HB2 MET A 411 2.554 -4.587 1.211 1.00 0.10 H new ATOM 0 HB3 MET A 411 3.940 -5.617 1.511 1.00 0.10 H new ATOM 0 HG2 MET A 411 3.067 -4.646 -1.230 1.00 0.09 H new ATOM 0 HG3 MET A 411 4.318 -3.901 -0.254 1.00 0.09 H new ATOM 0 HE1 MET A 411 6.960 -5.140 -2.344 1.00 0.06 H new ATOM 0 HE2 MET A 411 5.489 -5.065 -3.343 1.00 0.06 H new ATOM 0 HE3 MET A 411 5.751 -3.868 -2.053 1.00 0.06 H new ATOM 1147 N PRO A 412 1.093 -8.014 2.240 1.00 0.13 N ATOM 1148 CA PRO A 412 0.145 -8.278 3.318 1.00 0.19 C ATOM 1149 C PRO A 412 0.624 -7.762 4.663 1.00 0.25 C ATOM 1150 O PRO A 412 1.115 -8.523 5.503 1.00 0.50 O ATOM 1151 CB PRO A 412 0.010 -9.801 3.337 1.00 0.24 C ATOM 1152 CG PRO A 412 1.284 -10.289 2.743 1.00 0.23 C ATOM 1153 CD PRO A 412 1.684 -9.258 1.723 1.00 0.16 C ATOM 0 HA PRO A 412 -0.801 -7.765 3.146 1.00 0.19 H new ATOM 0 HB2 PRO A 412 -0.126 -10.176 4.351 1.00 0.24 H new ATOM 0 HB3 PRO A 412 -0.852 -10.131 2.757 1.00 0.24 H new ATOM 0 HG2 PRO A 412 2.053 -10.402 3.507 1.00 0.23 H new ATOM 0 HG3 PRO A 412 1.150 -11.266 2.279 1.00 0.23 H new ATOM 0 HD2 PRO A 412 2.768 -9.181 1.634 1.00 0.16 H new ATOM 0 HD3 PRO A 412 1.300 -9.503 0.733 1.00 0.16 H new ATOM 1237 N VAL A 418 -4.422 -1.116 7.320 1.00 0.32 N ATOM 1238 CA VAL A 418 -3.811 -0.680 6.091 1.00 0.26 C ATOM 1239 C VAL A 418 -3.214 -1.861 5.318 1.00 0.24 C ATOM 1240 O VAL A 418 -3.051 -2.949 5.869 1.00 0.27 O ATOM 1241 CB VAL A 418 -2.738 0.347 6.435 1.00 0.25 C ATOM 1242 CG1 VAL A 418 -1.915 -0.177 7.563 1.00 0.75 C ATOM 1243 CG2 VAL A 418 -1.877 0.740 5.237 1.00 0.75 C ATOM 0 HA VAL A 418 -4.564 -0.230 5.444 1.00 0.26 H new ATOM 0 HB VAL A 418 -3.233 1.269 6.740 1.00 0.25 H new ATOM 0 HG11 VAL A 418 -1.143 0.549 7.818 1.00 0.75 H new ATOM 0 HG12 VAL A 418 -2.553 -0.349 8.430 1.00 0.75 H new ATOM 0 HG13 VAL A 418 -1.446 -1.115 7.266 1.00 0.75 H new ATOM 0 HG21 VAL A 418 -1.133 1.473 5.548 1.00 0.75 H new ATOM 0 HG22 VAL A 418 -1.373 -0.144 4.845 1.00 0.75 H new ATOM 0 HG23 VAL A 418 -2.509 1.171 4.461 1.00 0.75 H new ATOM 1253 N GLY A 419 -2.914 -1.649 4.045 1.00 0.20 N ATOM 1254 CA GLY A 419 -2.080 -2.569 3.301 1.00 0.18 C ATOM 1255 C GLY A 419 -1.655 -1.967 1.990 1.00 0.14 C ATOM 1256 O GLY A 419 -2.471 -1.460 1.240 1.00 0.15 O ATOM 0 H GLY A 419 -3.239 -0.845 3.508 1.00 0.20 H new ATOM 0 HA2 GLY A 419 -1.200 -2.826 3.890 1.00 0.18 H new ATOM 0 HA3 GLY A 419 -2.625 -3.496 3.121 1.00 0.18 H new ATOM 1260 N ILE A 420 -0.378 -1.988 1.716 1.00 0.10 N ATOM 1261 CA ILE A 420 0.107 -1.429 0.478 1.00 0.08 C ATOM 1262 C ILE A 420 0.012 -2.439 -0.657 1.00 0.08 C ATOM 1263 O ILE A 420 0.291 -3.626 -0.472 1.00 0.09 O ATOM 1264 CB ILE A 420 1.568 -0.965 0.592 1.00 0.07 C ATOM 1265 CG1 ILE A 420 1.685 0.355 1.361 1.00 0.08 C ATOM 1266 CG2 ILE A 420 2.183 -0.837 -0.783 1.00 0.08 C ATOM 1267 CD1 ILE A 420 1.715 0.200 2.864 1.00 0.29 C ATOM 0 H ILE A 420 0.340 -2.381 2.324 1.00 0.10 H new ATOM 0 HA ILE A 420 -0.527 -0.569 0.263 1.00 0.08 H new ATOM 0 HB ILE A 420 2.115 -1.720 1.156 1.00 0.07 H new ATOM 0 HG12 ILE A 420 2.592 0.868 1.042 1.00 0.08 H new ATOM 0 HG13 ILE A 420 0.845 0.995 1.090 1.00 0.08 H new ATOM 0 HG21 ILE A 420 3.218 -0.508 -0.689 1.00 0.08 H new ATOM 0 HG22 ILE A 420 2.154 -1.804 -1.286 1.00 0.08 H new ATOM 0 HG23 ILE A 420 1.621 -0.107 -1.366 1.00 0.08 H new ATOM 0 HD11 ILE A 420 1.799 1.182 3.329 1.00 0.29 H new ATOM 0 HD12 ILE A 420 0.797 -0.283 3.198 1.00 0.29 H new ATOM 0 HD13 ILE A 420 2.571 -0.411 3.150 1.00 0.29 H new ATOM 1279 N HIS A 421 -0.379 -1.953 -1.828 1.00 0.07 N ATOM 1280 CA HIS A 421 -0.548 -2.806 -2.994 1.00 0.06 C ATOM 1281 C HIS A 421 -0.557 -1.973 -4.257 1.00 0.07 C ATOM 1282 O HIS A 421 -0.754 -0.762 -4.206 1.00 0.08 O ATOM 1283 CB HIS A 421 -1.865 -3.542 -2.877 1.00 0.06 C ATOM 1284 CG HIS A 421 -3.059 -2.665 -2.813 1.00 0.07 C ATOM 1285 ND1 HIS A 421 -3.637 -2.052 -3.895 1.00 0.08 N ATOM 1286 CD2 HIS A 421 -3.779 -2.309 -1.738 1.00 0.07 C ATOM 1287 CE1 HIS A 421 -4.677 -1.347 -3.451 1.00 0.09 C ATOM 1288 NE2 HIS A 421 -4.812 -1.470 -2.141 1.00 0.08 N ATOM 0 H HIS A 421 -0.585 -0.968 -1.994 1.00 0.07 H new ATOM 0 HA HIS A 421 0.279 -3.514 -3.042 1.00 0.06 H new ATOM 0 HB2 HIS A 421 -1.968 -4.213 -3.730 1.00 0.06 H new ATOM 0 HB3 HIS A 421 -1.840 -4.165 -1.983 1.00 0.06 H new ATOM 0 HD1 HIS A 421 -3.327 -2.123 -4.864 1.00 0.08 H new ATOM 0 HD2 HIS A 421 -3.587 -2.624 -0.723 1.00 0.07 H new ATOM 0 HE1 HIS A 421 -5.325 -0.753 -4.079 1.00 0.09 H new ATOM 1296 N ASP A 422 -0.351 -2.630 -5.386 1.00 0.07 N ATOM 1297 CA ASP A 422 -0.530 -1.991 -6.670 1.00 0.07 C ATOM 1298 C ASP A 422 -2.018 -2.024 -7.000 1.00 0.11 C ATOM 1299 O ASP A 422 -2.731 -2.891 -6.538 1.00 0.20 O ATOM 1300 CB ASP A 422 0.267 -2.724 -7.748 1.00 0.09 C ATOM 1301 CG ASP A 422 -0.561 -3.774 -8.475 1.00 0.65 C ATOM 1302 OD1 ASP A 422 -0.916 -4.796 -7.852 1.00 1.07 O1- ATOM 1303 OD2 ASP A 422 -0.845 -3.586 -9.674 1.00 0.80 O ATOM 0 H ASP A 422 -0.060 -3.606 -5.435 1.00 0.07 H new ATOM 0 HA ASP A 422 -0.170 -0.963 -6.633 1.00 0.07 H new ATOM 0 HB2 ASP A 422 0.645 -2.001 -8.470 1.00 0.09 H new ATOM 0 HB3 ASP A 422 1.134 -3.202 -7.292 1.00 0.09 H new ATOM 1308 N SER A 423 -2.494 -1.062 -7.749 1.00 0.09 N ATOM 1309 CA SER A 423 -3.921 -0.931 -7.984 1.00 0.11 C ATOM 1310 C SER A 423 -4.172 -0.691 -9.444 1.00 0.14 C ATOM 1311 O SER A 423 -4.138 0.434 -9.933 1.00 0.17 O ATOM 1312 CB SER A 423 -4.506 0.208 -7.134 1.00 0.14 C ATOM 1313 OG SER A 423 -5.890 0.349 -7.357 1.00 0.23 O ATOM 0 H SER A 423 -1.920 -0.355 -8.209 1.00 0.09 H new ATOM 0 HA SER A 423 -4.417 -1.856 -7.690 1.00 0.11 H new ATOM 0 HB2 SER A 423 -4.323 0.009 -6.078 1.00 0.14 H new ATOM 0 HB3 SER A 423 -3.999 1.142 -7.374 1.00 0.14 H new ATOM 0 HG SER A 423 -6.238 1.079 -6.803 1.00 0.23 H new ATOM 1319 N ASP A 424 -4.465 -1.783 -10.119 1.00 0.16 N ATOM 1320 CA ASP A 424 -4.666 -1.784 -11.548 1.00 0.21 C ATOM 1321 C ASP A 424 -6.057 -1.279 -11.870 1.00 0.24 C ATOM 1322 O ASP A 424 -6.343 -0.832 -12.980 1.00 0.27 O ATOM 1323 CB ASP A 424 -4.449 -3.198 -12.078 1.00 0.24 C ATOM 1324 CG ASP A 424 -5.059 -3.435 -13.442 1.00 0.32 C ATOM 1325 OD1 ASP A 424 -6.244 -3.824 -13.507 1.00 0.37 O ATOM 1326 OD2 ASP A 424 -4.350 -3.262 -14.454 1.00 0.42 O1- ATOM 0 H ASP A 424 -4.571 -2.700 -9.686 1.00 0.16 H new ATOM 0 HA ASP A 424 -3.951 -1.118 -12.031 1.00 0.21 H new ATOM 0 HB2 ASP A 424 -3.379 -3.398 -12.129 1.00 0.24 H new ATOM 0 HB3 ASP A 424 -4.873 -3.911 -11.371 1.00 0.24 H new ATOM 1386 N GLU A 428 -6.997 6.731 -10.918 1.00 0.31 N ATOM 1387 CA GLU A 428 -6.479 7.938 -10.353 1.00 0.22 C ATOM 1388 C GLU A 428 -5.490 7.684 -9.245 1.00 0.21 C ATOM 1389 O GLU A 428 -5.541 6.680 -8.536 1.00 0.29 O ATOM 1390 CB GLU A 428 -7.601 8.750 -9.764 1.00 0.34 C ATOM 1391 CG GLU A 428 -8.496 7.936 -8.891 1.00 1.11 C ATOM 1392 CD GLU A 428 -9.628 7.270 -9.636 1.00 1.56 C ATOM 1393 OE1 GLU A 428 -10.096 7.854 -10.630 1.00 1.48 O ATOM 1394 OE2 GLU A 428 -10.047 6.161 -9.240 1.00 2.16 O1- ATOM 0 HA GLU A 428 -5.978 8.464 -11.166 1.00 0.22 H new ATOM 0 HB2 GLU A 428 -7.184 9.574 -9.185 1.00 0.34 H new ATOM 0 HB3 GLU A 428 -8.188 9.192 -10.569 1.00 0.34 H new ATOM 0 HG2 GLU A 428 -7.903 7.171 -8.390 1.00 1.11 H new ATOM 0 HG3 GLU A 428 -8.912 8.577 -8.114 1.00 1.11 H new ATOM 1401 N TYR A 429 -4.596 8.637 -9.137 1.00 0.17 N ATOM 1402 CA TYR A 429 -3.679 8.776 -8.032 1.00 0.14 C ATOM 1403 C TYR A 429 -3.266 10.215 -8.033 1.00 0.17 C ATOM 1404 O TYR A 429 -2.899 10.766 -9.071 1.00 0.21 O ATOM 1405 CB TYR A 429 -2.412 7.922 -8.090 1.00 0.12 C ATOM 1406 CG TYR A 429 -2.591 6.542 -8.654 1.00 0.13 C ATOM 1407 CD1 TYR A 429 -2.840 6.360 -10.006 1.00 0.18 C ATOM 1408 CD2 TYR A 429 -2.496 5.427 -7.845 1.00 0.15 C ATOM 1409 CE1 TYR A 429 -2.992 5.104 -10.538 1.00 0.25 C ATOM 1410 CE2 TYR A 429 -2.651 4.158 -8.367 1.00 0.20 C ATOM 1411 CZ TYR A 429 -2.898 4.006 -9.717 1.00 0.25 C ATOM 1412 OH TYR A 429 -3.039 2.753 -10.257 1.00 0.33 O ATOM 0 H TYR A 429 -4.483 9.364 -9.843 1.00 0.17 H new ATOM 0 HA TYR A 429 -4.200 8.435 -7.137 1.00 0.14 H new ATOM 0 HB2 TYR A 429 -1.667 8.447 -8.688 1.00 0.12 H new ATOM 0 HB3 TYR A 429 -2.007 7.834 -7.082 1.00 0.12 H new ATOM 0 HD1 TYR A 429 -2.916 7.222 -10.652 1.00 0.18 H new ATOM 0 HD2 TYR A 429 -2.298 5.549 -6.790 1.00 0.15 H new ATOM 0 HE1 TYR A 429 -3.184 4.980 -11.593 1.00 0.25 H new ATOM 0 HE2 TYR A 429 -2.580 3.292 -7.725 1.00 0.20 H new ATOM 0 HH TYR A 429 -3.601 2.205 -9.670 1.00 0.33 H new ATOM 1422 N GLY A 430 -3.364 10.828 -6.904 1.00 0.15 N ATOM 1423 CA GLY A 430 -3.050 12.229 -6.824 1.00 0.17 C ATOM 1424 C GLY A 430 -3.489 12.814 -5.529 1.00 0.17 C ATOM 1425 O GLY A 430 -3.577 12.094 -4.531 1.00 0.16 O ATOM 0 H GLY A 430 -3.655 10.395 -6.027 1.00 0.15 H new ATOM 0 HA2 GLY A 430 -1.976 12.369 -6.942 1.00 0.17 H new ATOM 0 HA3 GLY A 430 -3.533 12.758 -7.646 1.00 0.17 H new ATOM 1429 N GLY A 431 -3.679 14.130 -5.522 1.00 0.19 N ATOM 1430 CA GLY A 431 -4.364 14.773 -4.423 1.00 0.21 C ATOM 1431 C GLY A 431 -5.547 13.992 -3.973 1.00 0.19 C ATOM 1432 O GLY A 431 -6.032 13.097 -4.668 1.00 0.18 O ATOM 0 H GLY A 431 -3.369 14.761 -6.261 1.00 0.19 H new ATOM 0 HA2 GLY A 431 -3.674 14.899 -3.589 1.00 0.21 H new ATOM 0 HA3 GLY A 431 -4.682 15.770 -4.727 1.00 0.21 H new ATOM 1436 N ASP A 432 -6.077 14.421 -2.875 1.00 0.21 N ATOM 1437 CA ASP A 432 -6.847 13.564 -2.021 1.00 0.21 C ATOM 1438 C ASP A 432 -7.961 12.844 -2.755 1.00 0.18 C ATOM 1439 O ASP A 432 -9.030 13.387 -3.030 1.00 0.23 O ATOM 1440 CB ASP A 432 -7.447 14.434 -0.946 1.00 0.25 C ATOM 1441 CG ASP A 432 -6.441 14.996 0.039 1.00 1.10 C ATOM 1442 OD1 ASP A 432 -5.653 15.886 -0.339 1.00 1.14 O ATOM 1443 OD2 ASP A 432 -6.413 14.528 1.195 1.00 1.85 O1- ATOM 0 H ASP A 432 -5.990 15.380 -2.539 1.00 0.21 H new ATOM 0 HA ASP A 432 -6.191 12.793 -1.617 1.00 0.21 H new ATOM 0 HB2 ASP A 432 -7.976 15.262 -1.419 1.00 0.25 H new ATOM 0 HB3 ASP A 432 -8.189 13.853 -0.398 1.00 0.25 H new ATOM 1448 N LEU A 433 -7.661 11.592 -3.048 1.00 0.14 N ATOM 1449 CA LEU A 433 -8.604 10.653 -3.603 1.00 0.13 C ATOM 1450 C LEU A 433 -9.186 9.801 -2.497 1.00 0.12 C ATOM 1451 O LEU A 433 -10.337 9.436 -2.519 1.00 0.14 O ATOM 1452 CB LEU A 433 -7.909 9.770 -4.631 1.00 0.15 C ATOM 1453 CG LEU A 433 -7.304 10.506 -5.813 1.00 0.39 C ATOM 1454 CD1 LEU A 433 -6.337 9.604 -6.517 1.00 1.21 C ATOM 1455 CD2 LEU A 433 -8.376 10.953 -6.779 1.00 1.08 C ATOM 0 H LEU A 433 -6.733 11.196 -2.901 1.00 0.14 H new ATOM 0 HA LEU A 433 -9.410 11.199 -4.093 1.00 0.13 H new ATOM 0 HB2 LEU A 433 -7.120 9.209 -4.130 1.00 0.15 H new ATOM 0 HB3 LEU A 433 -8.628 9.042 -5.006 1.00 0.15 H new ATOM 0 HG LEU A 433 -6.786 11.391 -5.443 1.00 0.39 H new ATOM 0 HD11 LEU A 433 -5.901 10.130 -7.366 1.00 1.21 H new ATOM 0 HD12 LEU A 433 -5.546 9.310 -5.827 1.00 1.21 H new ATOM 0 HD13 LEU A 433 -6.860 8.715 -6.870 1.00 1.21 H new ATOM 0 HD21 LEU A 433 -7.916 11.478 -7.616 1.00 1.08 H new ATOM 0 HD22 LEU A 433 -8.918 10.083 -7.150 1.00 1.08 H new ATOM 0 HD23 LEU A 433 -9.069 11.622 -6.269 1.00 1.08 H new ATOM 1467 N TRP A 434 -8.343 9.495 -1.519 1.00 0.10 N ATOM 1468 CA TRP A 434 -8.675 8.562 -0.441 1.00 0.10 C ATOM 1469 C TRP A 434 -9.975 8.926 0.248 1.00 0.11 C ATOM 1470 O TRP A 434 -10.641 8.079 0.823 1.00 0.15 O ATOM 1471 CB TRP A 434 -7.526 8.523 0.571 1.00 0.10 C ATOM 1472 CG TRP A 434 -7.263 9.843 1.184 1.00 0.10 C ATOM 1473 CD1 TRP A 434 -6.427 10.810 0.720 1.00 0.11 C ATOM 1474 CD2 TRP A 434 -7.859 10.351 2.372 1.00 0.12 C ATOM 1475 NE1 TRP A 434 -6.527 11.921 1.523 1.00 0.13 N ATOM 1476 CE2 TRP A 434 -7.382 11.650 2.549 1.00 0.13 C ATOM 1477 CE3 TRP A 434 -8.768 9.837 3.296 1.00 0.13 C ATOM 1478 CZ2 TRP A 434 -7.782 12.448 3.605 1.00 0.16 C ATOM 1479 CZ3 TRP A 434 -9.160 10.627 4.343 1.00 0.14 C ATOM 1480 CH2 TRP A 434 -8.673 11.924 4.490 1.00 0.16 C ATOM 0 H TRP A 434 -7.404 9.887 -1.448 1.00 0.10 H new ATOM 0 HA TRP A 434 -8.813 7.574 -0.880 1.00 0.10 H new ATOM 0 HB2 TRP A 434 -7.761 7.803 1.355 1.00 0.10 H new ATOM 0 HB3 TRP A 434 -6.622 8.170 0.075 1.00 0.10 H new ATOM 0 HD1 TRP A 434 -5.785 10.719 -0.144 1.00 0.11 H new ATOM 0 HE1 TRP A 434 -6.040 12.805 1.375 1.00 0.13 H new ATOM 0 HE3 TRP A 434 -9.155 8.835 3.188 1.00 0.13 H new ATOM 0 HZ2 TRP A 434 -7.401 13.452 3.723 1.00 0.16 H new ATOM 0 HZ3 TRP A 434 -9.859 10.238 5.068 1.00 0.14 H new ATOM 0 HH2 TRP A 434 -9.009 12.525 5.322 1.00 0.16 H new ATOM 1491 N LYS A 435 -10.312 10.202 0.200 1.00 0.12 N ATOM 1492 CA LYS A 435 -11.509 10.688 0.834 1.00 0.14 C ATOM 1493 C LYS A 435 -12.707 10.667 -0.088 1.00 0.17 C ATOM 1494 O LYS A 435 -13.837 10.465 0.346 1.00 0.20 O ATOM 1495 CB LYS A 435 -11.261 12.095 1.325 1.00 0.15 C ATOM 1496 CG LYS A 435 -9.958 12.638 0.825 1.00 0.15 C ATOM 1497 CD LYS A 435 -9.664 13.991 1.376 1.00 0.17 C ATOM 1498 CE LYS A 435 -10.247 14.180 2.750 1.00 0.18 C ATOM 1499 NZ LYS A 435 -9.955 15.523 3.311 1.00 0.22 N1+ ATOM 0 H LYS A 435 -9.765 10.919 -0.276 1.00 0.12 H new ATOM 0 HA LYS A 435 -11.742 10.023 1.666 1.00 0.14 H new ATOM 0 HB2 LYS A 435 -12.074 12.743 0.997 1.00 0.15 H new ATOM 0 HB3 LYS A 435 -11.265 12.105 2.415 1.00 0.15 H new ATOM 0 HG2 LYS A 435 -9.153 11.954 1.096 1.00 0.15 H new ATOM 0 HG3 LYS A 435 -9.981 12.688 -0.264 1.00 0.15 H new ATOM 0 HD2 LYS A 435 -8.585 14.139 1.417 1.00 0.17 H new ATOM 0 HD3 LYS A 435 -10.065 14.751 0.705 1.00 0.17 H new ATOM 0 HE2 LYS A 435 -11.326 14.035 2.706 1.00 0.18 H new ATOM 0 HE3 LYS A 435 -9.849 13.416 3.418 1.00 0.18 H new ATOM 0 HZ1 LYS A 435 -10.378 15.603 4.258 1.00 0.22 H new ATOM 0 HZ2 LYS A 435 -8.926 15.654 3.379 1.00 0.22 H new ATOM 0 HZ3 LYS A 435 -10.357 16.254 2.690 1.00 0.22 H new ATOM 1513 N THR A 436 -12.451 10.908 -1.349 1.00 0.16 N ATOM 1514 CA THR A 436 -13.507 10.988 -2.344 1.00 0.19 C ATOM 1515 C THR A 436 -13.777 9.618 -2.957 1.00 0.19 C ATOM 1516 O THR A 436 -14.916 9.246 -3.241 1.00 0.22 O ATOM 1517 CB THR A 436 -13.098 11.993 -3.436 1.00 0.23 C ATOM 1518 OG1 THR A 436 -12.303 11.359 -4.442 1.00 0.25 O ATOM 1519 CG2 THR A 436 -12.276 13.090 -2.803 1.00 0.21 C ATOM 0 H THR A 436 -11.512 11.055 -1.720 1.00 0.16 H new ATOM 0 HA THR A 436 -14.425 11.326 -1.864 1.00 0.19 H new ATOM 0 HB THR A 436 -14.001 12.393 -3.896 1.00 0.23 H new ATOM 0 HG1 THR A 436 -12.818 11.294 -5.273 1.00 0.25 H new ATOM 0 HG21 THR A 436 -11.980 13.809 -3.567 1.00 0.21 H new ATOM 0 HG22 THR A 436 -12.869 13.594 -2.040 1.00 0.21 H new ATOM 0 HG23 THR A 436 -11.386 12.659 -2.345 1.00 0.21 H new ATOM 1527 N ARG A 437 -12.704 8.881 -3.151 1.00 0.18 N ATOM 1528 CA ARG A 437 -12.747 7.558 -3.740 1.00 0.20 C ATOM 1529 C ARG A 437 -12.731 6.503 -2.649 1.00 0.20 C ATOM 1530 O ARG A 437 -13.094 5.352 -2.881 1.00 0.24 O ATOM 1531 CB ARG A 437 -11.525 7.427 -4.638 1.00 0.24 C ATOM 1532 CG ARG A 437 -11.138 8.725 -5.222 1.00 0.27 C ATOM 1533 CD ARG A 437 -10.601 8.563 -6.594 1.00 0.40 C ATOM 1534 NE ARG A 437 -11.669 8.415 -7.569 1.00 0.71 N ATOM 1535 CZ ARG A 437 -12.153 9.408 -8.319 1.00 1.26 C ATOM 1536 NH1 ARG A 437 -11.695 10.646 -8.175 1.00 1.82 N1+ ATOM 1537 NH2 ARG A 437 -13.107 9.160 -9.207 1.00 1.47 N ATOM 0 H ARG A 437 -11.764 9.188 -2.901 1.00 0.18 H new ATOM 0 HA ARG A 437 -13.659 7.415 -4.319 1.00 0.20 H new ATOM 0 HB2 ARG A 437 -10.692 7.023 -4.063 1.00 0.24 H new ATOM 0 HB3 ARG A 437 -11.735 6.716 -5.437 1.00 0.24 H new ATOM 0 HG2 ARG A 437 -12.003 9.388 -5.244 1.00 0.27 H new ATOM 0 HG3 ARG A 437 -10.388 9.201 -4.590 1.00 0.27 H new ATOM 0 HD2 ARG A 437 -9.989 9.428 -6.851 1.00 0.40 H new ATOM 0 HD3 ARG A 437 -9.950 7.690 -6.630 1.00 0.40 H new ATOM 0 HE ARG A 437 -12.077 7.488 -7.689 1.00 0.71 H new ATOM 0 HH11 ARG A 437 -10.968 10.844 -7.487 1.00 1.82 H new ATOM 0 HH12 ARG A 437 -12.070 11.399 -8.752 1.00 1.82 H new ATOM 0 HH21 ARG A 437 -13.469 8.213 -9.315 1.00 1.47 H new ATOM 0 HH22 ARG A 437 -13.479 9.917 -9.781 1.00 1.47 H new ATOM 1551 N GLY A 438 -12.304 6.925 -1.459 1.00 0.17 N ATOM 1552 CA GLY A 438 -12.574 6.188 -0.246 1.00 0.18 C ATOM 1553 C GLY A 438 -12.199 4.719 -0.285 1.00 0.21 C ATOM 1554 O GLY A 438 -13.025 3.874 0.075 1.00 0.24 O ATOM 0 H GLY A 438 -11.767 7.781 -1.319 1.00 0.17 H new ATOM 0 HA2 GLY A 438 -12.036 6.662 0.575 1.00 0.18 H new ATOM 0 HA3 GLY A 438 -13.637 6.269 -0.020 1.00 0.18 H new ATOM 1558 N SER A 439 -10.997 4.376 -0.723 1.00 0.22 N ATOM 1559 CA SER A 439 -10.688 2.970 -0.900 1.00 0.27 C ATOM 1560 C SER A 439 -10.217 2.314 0.399 1.00 0.27 C ATOM 1561 O SER A 439 -9.108 2.560 0.868 1.00 0.27 O ATOM 1562 CB SER A 439 -9.627 2.806 -1.986 1.00 0.31 C ATOM 1563 OG SER A 439 -8.574 3.737 -1.800 1.00 1.01 O ATOM 0 H SER A 439 -10.246 5.026 -0.954 1.00 0.22 H new ATOM 0 HA SER A 439 -11.606 2.466 -1.202 1.00 0.27 H new ATOM 0 HB2 SER A 439 -9.230 1.791 -1.964 1.00 0.31 H new ATOM 0 HB3 SER A 439 -10.078 2.951 -2.968 1.00 0.31 H new ATOM 0 HG SER A 439 -8.308 3.746 -0.857 1.00 1.01 H new ATOM 1569 N HIS A 440 -11.085 1.435 0.925 1.00 0.29 N ATOM 1570 CA HIS A 440 -10.833 0.638 2.138 1.00 0.32 C ATOM 1571 C HIS A 440 -10.023 1.396 3.197 1.00 0.28 C ATOM 1572 O HIS A 440 -10.344 2.540 3.531 1.00 0.34 O ATOM 1573 CB HIS A 440 -10.144 -0.685 1.779 1.00 0.36 C ATOM 1574 CG HIS A 440 -11.023 -1.662 1.061 1.00 0.40 C ATOM 1575 ND1 HIS A 440 -12.274 -2.023 1.514 1.00 0.45 N ATOM 1576 CD2 HIS A 440 -10.829 -2.355 -0.088 1.00 0.42 C ATOM 1577 CE1 HIS A 440 -12.810 -2.887 0.677 1.00 0.50 C ATOM 1578 NE2 HIS A 440 -11.956 -3.106 -0.306 1.00 0.48 N ATOM 0 H HIS A 440 -12.000 1.254 0.511 1.00 0.29 H new ATOM 0 HA HIS A 440 -11.807 0.429 2.581 1.00 0.32 H new ATOM 0 HB2 HIS A 440 -9.274 -0.471 1.157 1.00 0.36 H new ATOM 0 HB3 HIS A 440 -9.776 -1.149 2.694 1.00 0.36 H new ATOM 0 HD2 HIS A 440 -9.950 -2.322 -0.715 1.00 0.42 H new ATOM 0 HE1 HIS A 440 -13.785 -3.341 0.778 1.00 0.50 H new ATOM 0 HE2 HIS A 440 -12.109 -3.731 -1.097 1.00 0.48 H new ATOM 1587 N GLY A 441 -9.004 0.737 3.747 1.00 0.23 N ATOM 1588 CA GLY A 441 -8.070 1.391 4.636 1.00 0.22 C ATOM 1589 C GLY A 441 -6.658 1.341 4.082 1.00 0.17 C ATOM 1590 O GLY A 441 -5.739 1.949 4.633 1.00 0.26 O ATOM 0 H GLY A 441 -8.812 -0.252 3.586 1.00 0.23 H new ATOM 0 HA2 GLY A 441 -8.369 2.429 4.783 1.00 0.22 H new ATOM 0 HA3 GLY A 441 -8.097 0.910 5.614 1.00 0.22 H new ATOM 1594 N CYS A 442 -6.491 0.616 2.978 1.00 0.10 N ATOM 1595 CA CYS A 442 -5.185 0.414 2.367 1.00 0.15 C ATOM 1596 C CYS A 442 -4.852 1.439 1.292 1.00 0.13 C ATOM 1597 O CYS A 442 -5.728 2.054 0.686 1.00 0.21 O ATOM 1598 CB CYS A 442 -5.130 -0.963 1.734 1.00 0.24 C ATOM 1599 SG CYS A 442 -6.707 -1.536 1.081 1.00 0.35 S ATOM 0 H CYS A 442 -7.256 0.155 2.486 1.00 0.10 H new ATOM 0 HA CYS A 442 -4.454 0.523 3.168 1.00 0.15 H new ATOM 0 HB2 CYS A 442 -4.398 -0.951 0.927 1.00 0.24 H new ATOM 0 HB3 CYS A 442 -4.775 -1.678 2.476 1.00 0.24 H new ATOM 0 HG CYS A 442 -6.557 -2.718 0.560 1.00 0.35 H new ATOM 1604 N ILE A 443 -3.557 1.500 0.992 1.00 0.09 N ATOM 1605 CA ILE A 443 -3.002 2.449 0.039 1.00 0.07 C ATOM 1606 C ILE A 443 -3.060 1.877 -1.359 1.00 0.08 C ATOM 1607 O ILE A 443 -2.607 0.761 -1.605 1.00 0.12 O ATOM 1608 CB ILE A 443 -1.529 2.806 0.374 1.00 0.07 C ATOM 1609 CG1 ILE A 443 -1.434 3.663 1.642 1.00 0.09 C ATOM 1610 CG2 ILE A 443 -0.843 3.507 -0.797 1.00 0.07 C ATOM 1611 CD1 ILE A 443 -1.880 2.957 2.904 1.00 0.11 C ATOM 0 H ILE A 443 -2.859 0.884 1.410 1.00 0.09 H new ATOM 0 HA ILE A 443 -3.602 3.357 0.100 1.00 0.07 H new ATOM 0 HB ILE A 443 -1.007 1.867 0.559 1.00 0.07 H new ATOM 0 HG12 ILE A 443 -0.402 3.991 1.768 1.00 0.09 H new ATOM 0 HG13 ILE A 443 -2.040 4.559 1.507 1.00 0.09 H new ATOM 0 HG21 ILE A 443 0.187 3.742 -0.528 1.00 0.07 H new ATOM 0 HG22 ILE A 443 -0.849 2.851 -1.668 1.00 0.07 H new ATOM 0 HG23 ILE A 443 -1.376 4.428 -1.032 1.00 0.07 H new ATOM 0 HD11 ILE A 443 -1.781 3.633 3.753 1.00 0.11 H new ATOM 0 HD12 ILE A 443 -2.922 2.653 2.802 1.00 0.11 H new ATOM 0 HD13 ILE A 443 -1.259 2.076 3.067 1.00 0.11 H new ATOM 1623 N ASN A 444 -3.604 2.654 -2.270 1.00 0.08 N ATOM 1624 CA ASN A 444 -3.765 2.206 -3.637 1.00 0.08 C ATOM 1625 C ASN A 444 -2.638 2.745 -4.498 1.00 0.07 C ATOM 1626 O ASN A 444 -2.726 3.836 -5.059 1.00 0.11 O ATOM 1627 CB ASN A 444 -5.121 2.623 -4.193 1.00 0.11 C ATOM 1628 CG ASN A 444 -6.272 1.732 -3.742 1.00 0.27 C ATOM 1629 OD1 ASN A 444 -7.265 1.577 -4.458 1.00 0.62 O ATOM 1630 ND2 ASN A 444 -6.147 1.118 -2.573 1.00 0.15 N ATOM 0 H ASN A 444 -3.942 3.599 -2.089 1.00 0.08 H new ATOM 0 HA ASN A 444 -3.723 1.117 -3.651 1.00 0.08 H new ATOM 0 HB2 ASN A 444 -5.328 3.649 -3.889 1.00 0.11 H new ATOM 0 HB3 ASN A 444 -5.074 2.616 -5.282 1.00 0.11 H new ATOM 0 HD21 ASN A 444 -6.885 0.496 -2.242 1.00 0.15 H new ATOM 0 HD22 ASN A 444 -5.313 1.268 -2.005 1.00 0.15 H new ATOM 1637 N THR A 445 -1.565 1.989 -4.546 1.00 0.08 N ATOM 1638 CA THR A 445 -0.402 2.318 -5.313 1.00 0.08 C ATOM 1639 C THR A 445 -0.528 1.892 -6.772 1.00 0.08 C ATOM 1640 O THR A 445 -1.116 0.881 -7.076 1.00 0.10 O ATOM 1641 CB THR A 445 0.786 1.623 -4.665 1.00 0.06 C ATOM 1642 OG1 THR A 445 0.715 1.755 -3.239 1.00 0.09 O ATOM 1643 CG2 THR A 445 2.055 2.223 -5.147 1.00 0.06 C ATOM 0 H THR A 445 -1.482 1.109 -4.038 1.00 0.08 H new ATOM 0 HA THR A 445 -0.274 3.400 -5.319 1.00 0.08 H new ATOM 0 HB THR A 445 0.759 0.567 -4.935 1.00 0.06 H new ATOM 0 HG1 THR A 445 1.608 1.945 -2.883 1.00 0.09 H new ATOM 0 HG21 THR A 445 2.898 1.718 -4.676 1.00 0.06 H new ATOM 0 HG22 THR A 445 2.123 2.111 -6.229 1.00 0.06 H new ATOM 0 HG23 THR A 445 2.077 3.282 -4.890 1.00 0.06 H new ATOM 1651 N PRO A 446 -0.003 2.709 -7.690 1.00 0.08 N ATOM 1652 CA PRO A 446 0.051 2.399 -9.124 1.00 0.10 C ATOM 1653 C PRO A 446 0.631 1.038 -9.423 1.00 0.14 C ATOM 1654 O PRO A 446 1.551 0.568 -8.750 1.00 0.24 O ATOM 1655 CB PRO A 446 0.957 3.493 -9.674 1.00 0.10 C ATOM 1656 CG PRO A 446 0.772 4.632 -8.751 1.00 0.08 C ATOM 1657 CD PRO A 446 0.548 4.034 -7.400 1.00 0.07 C ATOM 0 HA PRO A 446 -0.945 2.370 -9.565 1.00 0.10 H new ATOM 0 HB2 PRO A 446 1.998 3.169 -9.700 1.00 0.10 H new ATOM 0 HB3 PRO A 446 0.681 3.761 -10.694 1.00 0.10 H new ATOM 0 HG2 PRO A 446 1.648 5.280 -8.750 1.00 0.08 H new ATOM 0 HG3 PRO A 446 -0.078 5.245 -9.052 1.00 0.08 H new ATOM 0 HD2 PRO A 446 1.477 3.965 -6.834 1.00 0.07 H new ATOM 0 HD3 PRO A 446 -0.143 4.633 -6.807 1.00 0.07 H new ATOM 1665 N PRO A 447 0.103 0.400 -10.462 1.00 0.12 N ATOM 1666 CA PRO A 447 0.493 -0.944 -10.841 1.00 0.12 C ATOM 1667 C PRO A 447 1.944 -1.017 -11.306 1.00 0.14 C ATOM 1668 O PRO A 447 2.600 -2.053 -11.210 1.00 0.31 O ATOM 1669 CB PRO A 447 -0.442 -1.268 -11.992 1.00 0.15 C ATOM 1670 CG PRO A 447 -1.566 -0.331 -11.832 1.00 0.14 C ATOM 1671 CD PRO A 447 -0.928 0.923 -11.365 1.00 0.13 C ATOM 0 HA PRO A 447 0.424 -1.639 -10.004 1.00 0.12 H new ATOM 0 HB2 PRO A 447 0.052 -1.134 -12.954 1.00 0.15 H new ATOM 0 HB3 PRO A 447 -0.780 -2.303 -11.949 1.00 0.15 H new ATOM 0 HG2 PRO A 447 -2.097 -0.182 -12.772 1.00 0.14 H new ATOM 0 HG3 PRO A 447 -2.294 -0.701 -11.110 1.00 0.14 H new ATOM 0 HD2 PRO A 447 -0.502 1.498 -12.187 1.00 0.13 H new ATOM 0 HD3 PRO A 447 -1.633 1.576 -10.850 1.00 0.13 H new ATOM 1679 N SER A 448 2.441 0.110 -11.775 1.00 0.12 N ATOM 1680 CA SER A 448 3.771 0.198 -12.343 1.00 0.11 C ATOM 1681 C SER A 448 4.848 0.229 -11.273 1.00 0.09 C ATOM 1682 O SER A 448 6.002 -0.090 -11.511 1.00 0.09 O ATOM 1683 CB SER A 448 3.852 1.469 -13.160 1.00 0.14 C ATOM 1684 OG SER A 448 3.455 2.588 -12.385 1.00 1.10 O ATOM 0 H SER A 448 1.932 0.994 -11.773 1.00 0.12 H new ATOM 0 HA SER A 448 3.942 -0.685 -12.958 1.00 0.11 H new ATOM 0 HB2 SER A 448 4.871 1.612 -13.519 1.00 0.14 H new ATOM 0 HB3 SER A 448 3.213 1.384 -14.039 1.00 0.14 H new ATOM 0 HG SER A 448 3.515 3.401 -12.929 1.00 1.10 H new ATOM 1690 N VAL A 449 4.472 0.677 -10.101 1.00 0.07 N ATOM 1691 CA VAL A 449 5.437 0.935 -9.056 1.00 0.06 C ATOM 1692 C VAL A 449 5.504 -0.175 -8.047 1.00 0.05 C ATOM 1693 O VAL A 449 6.571 -0.661 -7.732 1.00 0.05 O ATOM 1694 CB VAL A 449 5.121 2.259 -8.389 1.00 0.06 C ATOM 1695 CG1 VAL A 449 5.182 3.345 -9.424 1.00 0.08 C ATOM 1696 CG2 VAL A 449 3.769 2.202 -7.754 1.00 0.06 C ATOM 0 H VAL A 449 3.504 0.871 -9.844 1.00 0.07 H new ATOM 0 HA VAL A 449 6.423 0.987 -9.518 1.00 0.06 H new ATOM 0 HB VAL A 449 5.850 2.468 -7.606 1.00 0.06 H new ATOM 0 HG11 VAL A 449 4.957 4.304 -8.958 1.00 0.08 H new ATOM 0 HG12 VAL A 449 6.181 3.378 -9.858 1.00 0.08 H new ATOM 0 HG13 VAL A 449 4.452 3.142 -10.208 1.00 0.08 H new ATOM 0 HG21 VAL A 449 3.550 3.157 -7.277 1.00 0.06 H new ATOM 0 HG22 VAL A 449 3.017 1.996 -8.516 1.00 0.06 H new ATOM 0 HG23 VAL A 449 3.752 1.410 -7.005 1.00 0.06 H new ATOM 1706 N MET A 450 4.382 -0.612 -7.559 1.00 0.05 N ATOM 1707 CA MET A 450 4.395 -1.665 -6.572 1.00 0.05 C ATOM 1708 C MET A 450 4.896 -2.960 -7.187 1.00 0.05 C ATOM 1709 O MET A 450 5.072 -3.959 -6.491 1.00 0.06 O ATOM 1710 CB MET A 450 3.032 -1.824 -5.913 1.00 0.07 C ATOM 1711 CG MET A 450 2.961 -1.291 -4.488 1.00 0.06 C ATOM 1712 SD MET A 450 3.221 -2.560 -3.227 1.00 0.06 S ATOM 1713 CE MET A 450 2.967 -4.054 -4.156 1.00 0.05 C ATOM 0 H MET A 450 3.458 -0.267 -7.818 1.00 0.05 H new ATOM 0 HA MET A 450 5.090 -1.390 -5.779 1.00 0.05 H new ATOM 0 HB2 MET A 450 2.286 -1.310 -6.519 1.00 0.07 H new ATOM 0 HB3 MET A 450 2.765 -2.881 -5.907 1.00 0.07 H new ATOM 0 HG2 MET A 450 3.710 -0.509 -4.364 1.00 0.06 H new ATOM 0 HG3 MET A 450 1.987 -0.828 -4.330 1.00 0.06 H new ATOM 0 HE1 MET A 450 2.867 -4.896 -3.471 1.00 0.05 H new ATOM 0 HE2 MET A 450 2.059 -3.962 -4.753 1.00 0.05 H new ATOM 0 HE3 MET A 450 3.819 -4.222 -4.815 1.00 0.05 H new ATOM 1723 N LYS A 451 5.175 -2.935 -8.470 1.00 0.05 N ATOM 1724 CA LYS A 451 5.788 -4.074 -9.100 1.00 0.05 C ATOM 1725 C LYS A 451 7.277 -4.033 -8.816 1.00 0.05 C ATOM 1726 O LYS A 451 7.923 -5.043 -8.520 1.00 0.06 O ATOM 1727 CB LYS A 451 5.546 -4.042 -10.589 1.00 0.06 C ATOM 1728 CG LYS A 451 6.287 -2.952 -11.224 1.00 0.06 C ATOM 1729 CD LYS A 451 6.056 -2.912 -12.687 1.00 0.08 C ATOM 1730 CE LYS A 451 7.092 -2.048 -13.327 1.00 0.10 C ATOM 1731 NZ LYS A 451 8.377 -2.758 -13.550 1.00 0.92 N1+ ATOM 0 H LYS A 451 4.989 -2.146 -9.089 1.00 0.05 H new ATOM 0 HA LYS A 451 5.355 -4.993 -8.704 1.00 0.05 H new ATOM 0 HB2 LYS A 451 5.846 -4.993 -11.029 1.00 0.06 H new ATOM 0 HB3 LYS A 451 4.480 -3.922 -10.784 1.00 0.06 H new ATOM 0 HG2 LYS A 451 5.987 -2.002 -10.782 1.00 0.06 H new ATOM 0 HG3 LYS A 451 7.352 -3.073 -11.027 1.00 0.06 H new ATOM 0 HD2 LYS A 451 6.100 -3.919 -13.101 1.00 0.08 H new ATOM 0 HD3 LYS A 451 5.060 -2.523 -12.899 1.00 0.08 H new ATOM 0 HE2 LYS A 451 6.714 -1.682 -14.282 1.00 0.10 H new ATOM 0 HE3 LYS A 451 7.269 -1.175 -12.699 1.00 0.10 H new ATOM 0 HZ1 LYS A 451 9.116 -2.334 -12.953 1.00 0.92 H new ATOM 0 HZ2 LYS A 451 8.266 -3.762 -13.303 1.00 0.92 H new ATOM 0 HZ3 LYS A 451 8.650 -2.676 -14.550 1.00 0.92 H new ATOM 1745 N GLU A 452 7.771 -2.794 -8.860 1.00 0.05 N ATOM 1746 CA GLU A 452 9.141 -2.458 -8.686 1.00 0.05 C ATOM 1747 C GLU A 452 9.511 -2.865 -7.320 1.00 0.05 C ATOM 1748 O GLU A 452 10.554 -3.429 -7.046 1.00 0.06 O ATOM 1749 CB GLU A 452 9.221 -0.963 -8.758 1.00 0.05 C ATOM 1750 CG GLU A 452 8.753 -0.410 -10.059 1.00 0.07 C ATOM 1751 CD GLU A 452 9.857 -0.227 -11.073 1.00 0.12 C ATOM 1752 OE1 GLU A 452 10.300 -1.236 -11.656 1.00 0.24 O ATOM 1753 OE2 GLU A 452 10.287 0.924 -11.297 1.00 0.25 O1- ATOM 0 H GLU A 452 7.181 -1.979 -9.027 1.00 0.05 H new ATOM 0 HA GLU A 452 9.786 -2.932 -9.426 1.00 0.05 H new ATOM 0 HB2 GLU A 452 8.623 -0.535 -7.953 1.00 0.05 H new ATOM 0 HB3 GLU A 452 10.252 -0.653 -8.589 1.00 0.05 H new ATOM 0 HG2 GLU A 452 7.996 -1.075 -10.475 1.00 0.07 H new ATOM 0 HG3 GLU A 452 8.271 0.551 -9.883 1.00 0.07 H new ATOM 1760 N LEU A 453 8.602 -2.463 -6.477 1.00 0.04 N ATOM 1761 CA LEU A 453 8.539 -2.809 -5.119 1.00 0.04 C ATOM 1762 C LEU A 453 8.741 -4.256 -4.893 1.00 0.05 C ATOM 1763 O LEU A 453 9.716 -4.646 -4.286 1.00 0.05 O ATOM 1764 CB LEU A 453 7.164 -2.445 -4.642 1.00 0.04 C ATOM 1765 CG LEU A 453 7.145 -1.865 -3.294 1.00 0.04 C ATOM 1766 CD1 LEU A 453 8.310 -0.982 -3.145 1.00 0.03 C ATOM 1767 CD2 LEU A 453 5.924 -1.077 -3.065 1.00 0.05 C ATOM 0 H LEU A 453 7.842 -1.843 -6.758 1.00 0.04 H new ATOM 0 HA LEU A 453 9.330 -2.283 -4.584 1.00 0.04 H new ATOM 0 HB2 LEU A 453 6.722 -1.734 -5.341 1.00 0.04 H new ATOM 0 HB3 LEU A 453 6.536 -3.336 -4.654 1.00 0.04 H new ATOM 0 HG LEU A 453 7.172 -2.678 -2.569 1.00 0.04 H new ATOM 0 HD11 LEU A 453 8.309 -0.543 -2.147 1.00 0.03 H new ATOM 0 HD12 LEU A 453 9.224 -1.559 -3.287 1.00 0.03 H new ATOM 0 HD13 LEU A 453 8.262 -0.188 -3.890 1.00 0.03 H new ATOM 0 HD21 LEU A 453 5.942 -0.662 -2.057 1.00 0.05 H new ATOM 0 HD22 LEU A 453 5.873 -0.265 -3.791 1.00 0.05 H new ATOM 0 HD23 LEU A 453 5.050 -1.719 -3.177 1.00 0.05 H new ATOM 1779 N PHE A 454 7.809 -5.036 -5.360 1.00 0.05 N ATOM 1780 CA PHE A 454 7.935 -6.487 -5.281 1.00 0.06 C ATOM 1781 C PHE A 454 9.348 -6.903 -5.695 1.00 0.07 C ATOM 1782 O PHE A 454 9.888 -7.910 -5.235 1.00 0.09 O ATOM 1783 CB PHE A 454 6.881 -7.180 -6.159 1.00 0.07 C ATOM 1784 CG PHE A 454 7.037 -8.682 -6.233 1.00 0.08 C ATOM 1785 CD1 PHE A 454 7.981 -9.245 -7.080 1.00 0.11 C ATOM 1786 CD2 PHE A 454 6.258 -9.532 -5.454 1.00 0.09 C ATOM 1787 CE1 PHE A 454 8.153 -10.612 -7.146 1.00 0.13 C ATOM 1788 CE2 PHE A 454 6.427 -10.899 -5.524 1.00 0.12 C ATOM 1789 CZ PHE A 454 7.374 -11.439 -6.366 1.00 0.12 C ATOM 0 H PHE A 454 6.951 -4.706 -5.801 1.00 0.05 H new ATOM 0 HA PHE A 454 7.761 -6.800 -4.251 1.00 0.06 H new ATOM 0 HB2 PHE A 454 5.889 -6.946 -5.772 1.00 0.07 H new ATOM 0 HB3 PHE A 454 6.935 -6.769 -7.167 1.00 0.07 H new ATOM 0 HD1 PHE A 454 8.591 -8.602 -7.698 1.00 0.11 H new ATOM 0 HD2 PHE A 454 5.515 -9.118 -4.789 1.00 0.09 H new ATOM 0 HE1 PHE A 454 8.896 -11.033 -7.807 1.00 0.13 H new ATOM 0 HE2 PHE A 454 5.814 -11.549 -4.916 1.00 0.12 H new ATOM 0 HZ PHE A 454 7.506 -12.510 -6.415 1.00 0.12 H new ATOM 1799 N GLY A 455 9.960 -6.049 -6.509 1.00 0.06 N ATOM 1800 CA GLY A 455 11.259 -6.336 -7.054 1.00 0.08 C ATOM 1801 C GLY A 455 12.364 -5.891 -6.121 1.00 0.08 C ATOM 1802 O GLY A 455 13.440 -6.484 -6.114 1.00 0.13 O ATOM 0 H GLY A 455 9.567 -5.154 -6.799 1.00 0.06 H new ATOM 0 HA2 GLY A 455 11.348 -7.406 -7.240 1.00 0.08 H new ATOM 0 HA3 GLY A 455 11.370 -5.835 -8.016 1.00 0.08 H new ATOM 1806 N MET A 456 12.109 -4.844 -5.330 1.00 0.06 N ATOM 1807 CA MET A 456 13.095 -4.384 -4.378 1.00 0.05 C ATOM 1808 C MET A 456 12.847 -4.864 -2.981 1.00 0.05 C ATOM 1809 O MET A 456 13.774 -5.292 -2.295 1.00 0.06 O ATOM 1810 CB MET A 456 13.202 -2.886 -4.360 1.00 0.05 C ATOM 1811 CG MET A 456 11.909 -2.193 -4.506 1.00 0.04 C ATOM 1812 SD MET A 456 11.939 -1.003 -5.835 1.00 0.05 S ATOM 1813 CE MET A 456 10.476 -0.154 -5.365 1.00 0.04 C ATOM 0 H MET A 456 11.238 -4.313 -5.337 1.00 0.06 H new ATOM 0 HA MET A 456 14.033 -4.818 -4.724 1.00 0.05 H new ATOM 0 HB2 MET A 456 13.666 -2.576 -3.424 1.00 0.05 H new ATOM 0 HB3 MET A 456 13.866 -2.569 -5.164 1.00 0.05 H new ATOM 0 HG2 MET A 456 11.123 -2.925 -4.692 1.00 0.04 H new ATOM 0 HG3 MET A 456 11.660 -1.689 -3.572 1.00 0.04 H new ATOM 0 HE1 MET A 456 9.678 -0.388 -6.069 1.00 0.04 H new ATOM 0 HE2 MET A 456 10.180 -0.466 -4.364 1.00 0.04 H new ATOM 0 HE3 MET A 456 10.661 0.920 -5.370 1.00 0.04 H new ATOM 1823 N VAL A 457 11.622 -4.788 -2.538 1.00 0.05 N ATOM 1824 CA VAL A 457 11.322 -5.233 -1.208 1.00 0.05 C ATOM 1825 C VAL A 457 11.365 -6.722 -1.117 1.00 0.07 C ATOM 1826 O VAL A 457 11.096 -7.453 -2.075 1.00 0.08 O ATOM 1827 CB VAL A 457 9.996 -4.686 -0.646 1.00 0.05 C ATOM 1828 CG1 VAL A 457 9.222 -3.899 -1.678 1.00 0.04 C ATOM 1829 CG2 VAL A 457 9.148 -5.796 -0.060 1.00 0.05 C ATOM 0 H VAL A 457 10.829 -4.428 -3.069 1.00 0.05 H new ATOM 0 HA VAL A 457 12.106 -4.815 -0.577 1.00 0.05 H new ATOM 0 HB VAL A 457 10.253 -3.996 0.158 1.00 0.05 H new ATOM 0 HG11 VAL A 457 8.295 -3.533 -1.237 1.00 0.04 H new ATOM 0 HG12 VAL A 457 9.821 -3.054 -2.016 1.00 0.04 H new ATOM 0 HG13 VAL A 457 8.991 -4.542 -2.527 1.00 0.04 H new ATOM 0 HG21 VAL A 457 8.219 -5.378 0.328 1.00 0.05 H new ATOM 0 HG22 VAL A 457 8.920 -6.528 -0.835 1.00 0.05 H new ATOM 0 HG23 VAL A 457 9.693 -6.282 0.749 1.00 0.05 H new ATOM 1839 N GLU A 458 11.745 -7.145 0.048 1.00 0.08 N ATOM 1840 CA GLU A 458 11.885 -8.519 0.336 1.00 0.10 C ATOM 1841 C GLU A 458 10.958 -8.870 1.463 1.00 0.09 C ATOM 1842 O GLU A 458 10.509 -7.995 2.199 1.00 0.10 O ATOM 1843 CB GLU A 458 13.318 -8.794 0.746 1.00 0.13 C ATOM 1844 CG GLU A 458 14.134 -7.537 0.861 1.00 0.20 C ATOM 1845 CD GLU A 458 15.411 -7.734 1.641 1.00 0.27 C ATOM 1846 OE1 GLU A 458 16.413 -8.186 1.050 1.00 0.48 O1- ATOM 1847 OE2 GLU A 458 15.420 -7.440 2.853 1.00 0.46 O ATOM 0 H GLU A 458 11.967 -6.529 0.830 1.00 0.08 H new ATOM 0 HA GLU A 458 11.640 -9.118 -0.541 1.00 0.10 H new ATOM 0 HB2 GLU A 458 13.325 -9.317 1.702 1.00 0.13 H new ATOM 0 HB3 GLU A 458 13.780 -9.458 0.016 1.00 0.13 H new ATOM 0 HG2 GLU A 458 14.377 -7.175 -0.138 1.00 0.20 H new ATOM 0 HG3 GLU A 458 13.535 -6.764 1.343 1.00 0.20 H new ATOM 1854 N LYS A 459 10.630 -10.141 1.560 1.00 0.11 N ATOM 1855 CA LYS A 459 9.949 -10.638 2.725 1.00 0.13 C ATOM 1856 C LYS A 459 10.788 -10.342 3.931 1.00 0.15 C ATOM 1857 O LYS A 459 11.768 -11.032 4.221 1.00 0.18 O ATOM 1858 CB LYS A 459 9.680 -12.123 2.625 1.00 0.16 C ATOM 1859 CG LYS A 459 8.794 -12.436 1.456 1.00 0.22 C ATOM 1860 CD LYS A 459 9.525 -13.195 0.383 1.00 0.70 C ATOM 1861 CE LYS A 459 9.716 -14.653 0.767 1.00 0.40 C ATOM 1862 NZ LYS A 459 10.388 -15.434 -0.307 1.00 0.99 N1+ ATOM 0 H LYS A 459 10.825 -10.843 0.846 1.00 0.11 H new ATOM 0 HA LYS A 459 8.982 -10.142 2.806 1.00 0.13 H new ATOM 0 HB2 LYS A 459 10.623 -12.660 2.524 1.00 0.16 H new ATOM 0 HB3 LYS A 459 9.211 -12.473 3.544 1.00 0.16 H new ATOM 0 HG2 LYS A 459 7.939 -13.021 1.795 1.00 0.22 H new ATOM 0 HG3 LYS A 459 8.401 -11.508 1.040 1.00 0.22 H new ATOM 0 HD2 LYS A 459 8.968 -13.133 -0.552 1.00 0.70 H new ATOM 0 HD3 LYS A 459 10.497 -12.733 0.206 1.00 0.70 H new ATOM 0 HE2 LYS A 459 10.307 -14.712 1.681 1.00 0.40 H new ATOM 0 HE3 LYS A 459 8.746 -15.099 0.986 1.00 0.40 H new ATOM 0 HZ1 LYS A 459 10.497 -16.422 -0.001 1.00 0.99 H new ATOM 0 HZ2 LYS A 459 9.812 -15.401 -1.172 1.00 0.99 H new ATOM 0 HZ3 LYS A 459 11.325 -15.025 -0.499 1.00 0.99 H new ATOM 1876 N GLY A 460 10.386 -9.313 4.623 1.00 0.15 N ATOM 1877 CA GLY A 460 11.157 -8.830 5.744 1.00 0.19 C ATOM 1878 C GLY A 460 11.296 -7.327 5.726 1.00 0.15 C ATOM 1879 O GLY A 460 11.626 -6.708 6.738 1.00 0.17 O ATOM 0 H GLY A 460 9.531 -8.790 4.434 1.00 0.15 H new ATOM 0 HA2 GLY A 460 10.679 -9.139 6.673 1.00 0.19 H new ATOM 0 HA3 GLY A 460 12.147 -9.286 5.727 1.00 0.19 H new ATOM 1883 N THR A 461 11.054 -6.747 4.566 1.00 0.12 N ATOM 1884 CA THR A 461 10.973 -5.318 4.423 1.00 0.07 C ATOM 1885 C THR A 461 9.754 -4.820 5.179 1.00 0.08 C ATOM 1886 O THR A 461 8.786 -5.555 5.354 1.00 0.13 O ATOM 1887 CB THR A 461 10.875 -4.957 2.920 1.00 0.06 C ATOM 1888 OG1 THR A 461 12.112 -5.243 2.253 1.00 0.08 O ATOM 1889 CG2 THR A 461 10.497 -3.507 2.715 1.00 0.05 C ATOM 0 H THR A 461 10.909 -7.261 3.697 1.00 0.12 H new ATOM 0 HA THR A 461 11.864 -4.842 4.833 1.00 0.07 H new ATOM 0 HB THR A 461 10.085 -5.572 2.488 1.00 0.06 H new ATOM 0 HG1 THR A 461 12.309 -4.531 1.609 1.00 0.08 H new ATOM 0 HG21 THR A 461 10.439 -3.294 1.648 1.00 0.05 H new ATOM 0 HG22 THR A 461 9.529 -3.315 3.177 1.00 0.05 H new ATOM 0 HG23 THR A 461 11.251 -2.866 3.172 1.00 0.05 H new ATOM 1897 N PRO A 462 9.789 -3.605 5.710 1.00 0.09 N ATOM 1898 CA PRO A 462 8.667 -3.029 6.354 1.00 0.14 C ATOM 1899 C PRO A 462 7.908 -2.149 5.381 1.00 0.13 C ATOM 1900 O PRO A 462 8.339 -1.954 4.242 1.00 0.18 O ATOM 1901 CB PRO A 462 9.309 -2.217 7.481 1.00 0.18 C ATOM 1902 CG PRO A 462 10.770 -2.171 7.146 1.00 0.13 C ATOM 1903 CD PRO A 462 10.893 -2.664 5.753 1.00 0.09 C ATOM 0 HA PRO A 462 7.938 -3.751 6.723 1.00 0.14 H new ATOM 0 HB2 PRO A 462 8.885 -1.214 7.535 1.00 0.18 H new ATOM 0 HB3 PRO A 462 9.141 -2.687 8.450 1.00 0.18 H new ATOM 0 HG2 PRO A 462 11.158 -1.156 7.235 1.00 0.13 H new ATOM 0 HG3 PRO A 462 11.346 -2.793 7.831 1.00 0.13 H new ATOM 0 HD2 PRO A 462 10.786 -1.865 5.019 1.00 0.09 H new ATOM 0 HD3 PRO A 462 11.854 -3.143 5.566 1.00 0.09 H new ATOM 1911 N VAL A 463 6.807 -1.606 5.803 1.00 0.09 N ATOM 1912 CA VAL A 463 6.138 -0.613 5.000 1.00 0.09 C ATOM 1913 C VAL A 463 5.784 0.545 5.888 1.00 0.08 C ATOM 1914 O VAL A 463 5.685 0.407 7.101 1.00 0.10 O ATOM 1915 CB VAL A 463 4.859 -1.125 4.323 1.00 0.19 C ATOM 1916 CG1 VAL A 463 5.082 -2.492 3.703 1.00 0.57 C ATOM 1917 CG2 VAL A 463 3.730 -1.136 5.320 1.00 0.54 C ATOM 0 H VAL A 463 6.352 -1.827 6.689 1.00 0.09 H new ATOM 0 HA VAL A 463 6.822 -0.329 4.200 1.00 0.09 H new ATOM 0 HB VAL A 463 4.589 -0.452 3.509 1.00 0.19 H new ATOM 0 HG11 VAL A 463 4.161 -2.832 3.230 1.00 0.57 H new ATOM 0 HG12 VAL A 463 5.872 -2.428 2.954 1.00 0.57 H new ATOM 0 HG13 VAL A 463 5.374 -3.200 4.479 1.00 0.57 H new ATOM 0 HG21 VAL A 463 2.823 -1.500 4.838 1.00 0.54 H new ATOM 0 HG22 VAL A 463 3.986 -1.791 6.153 1.00 0.54 H new ATOM 0 HG23 VAL A 463 3.563 -0.125 5.692 1.00 0.54 H new ATOM 1927 N LEU A 464 5.655 1.687 5.311 1.00 0.07 N ATOM 1928 CA LEU A 464 5.236 2.826 6.036 1.00 0.07 C ATOM 1929 C LEU A 464 4.199 3.533 5.254 1.00 0.07 C ATOM 1930 O LEU A 464 4.105 3.365 4.045 1.00 0.09 O ATOM 1931 CB LEU A 464 6.422 3.727 6.305 1.00 0.10 C ATOM 1932 CG LEU A 464 7.368 3.176 7.323 1.00 0.10 C ATOM 1933 CD1 LEU A 464 8.438 2.396 6.643 1.00 0.09 C ATOM 1934 CD2 LEU A 464 7.940 4.305 8.131 1.00 0.13 C ATOM 0 H LEU A 464 5.838 1.855 4.322 1.00 0.07 H new ATOM 0 HA LEU A 464 4.815 2.528 6.996 1.00 0.07 H new ATOM 0 HB2 LEU A 464 6.961 3.894 5.372 1.00 0.10 H new ATOM 0 HB3 LEU A 464 6.061 4.698 6.643 1.00 0.10 H new ATOM 0 HG LEU A 464 6.841 2.503 8.000 1.00 0.10 H new ATOM 0 HD11 LEU A 464 9.126 1.996 7.388 1.00 0.09 H new ATOM 0 HD12 LEU A 464 7.990 1.574 6.084 1.00 0.09 H new ATOM 0 HD13 LEU A 464 8.983 3.046 5.958 1.00 0.09 H new ATOM 0 HD21 LEU A 464 8.630 3.907 8.875 1.00 0.13 H new ATOM 0 HD22 LEU A 464 8.472 4.991 7.472 1.00 0.13 H new ATOM 0 HD23 LEU A 464 7.133 4.838 8.634 1.00 0.13 H new ATOM 1946 N VAL A 465 3.357 4.204 5.965 1.00 0.06 N ATOM 1947 CA VAL A 465 2.572 5.258 5.407 1.00 0.05 C ATOM 1948 C VAL A 465 2.585 6.377 6.430 1.00 0.08 C ATOM 1949 O VAL A 465 2.677 6.081 7.606 1.00 0.10 O ATOM 1950 CB VAL A 465 1.136 4.807 5.017 1.00 0.07 C ATOM 1951 CG1 VAL A 465 1.102 3.346 4.626 1.00 0.09 C ATOM 1952 CG2 VAL A 465 0.140 5.098 6.085 1.00 0.08 C ATOM 0 H VAL A 465 3.191 4.037 6.957 1.00 0.06 H new ATOM 0 HA VAL A 465 2.996 5.595 4.461 1.00 0.05 H new ATOM 0 HB VAL A 465 0.851 5.397 4.146 1.00 0.07 H new ATOM 0 HG11 VAL A 465 0.083 3.064 4.359 1.00 0.09 H new ATOM 0 HG12 VAL A 465 1.759 3.183 3.772 1.00 0.09 H new ATOM 0 HG13 VAL A 465 1.439 2.737 5.465 1.00 0.09 H new ATOM 0 HG21 VAL A 465 -0.846 4.764 5.763 1.00 0.08 H new ATOM 0 HG22 VAL A 465 0.421 4.573 6.998 1.00 0.08 H new ATOM 0 HG23 VAL A 465 0.115 6.171 6.277 1.00 0.08 H new ATOM 1962 N PHE A 466 2.600 7.629 5.975 1.00 0.10 N ATOM 1963 CA PHE A 466 2.637 8.816 6.843 1.00 0.15 C ATOM 1964 C PHE A 466 2.876 10.072 6.029 1.00 0.21 C ATOM 1965 O PHE A 466 4.024 10.555 5.960 1.00 1.09 O ATOM 1966 CB PHE A 466 3.662 8.678 7.998 1.00 0.17 C ATOM 1967 CG PHE A 466 5.120 8.487 7.616 1.00 0.20 C ATOM 1968 CD1 PHE A 466 5.545 7.352 6.938 1.00 0.14 C ATOM 1969 CD2 PHE A 466 6.054 9.451 7.921 1.00 0.36 C ATOM 1970 CE1 PHE A 466 6.879 7.191 6.586 1.00 0.20 C ATOM 1971 CE2 PHE A 466 7.397 9.291 7.572 1.00 0.41 C ATOM 1972 CZ PHE A 466 7.795 8.103 6.917 1.00 0.30 C ATOM 1973 OXT PHE A 466 1.883 10.584 5.479 1.00 1.06 O ATOM 0 H PHE A 466 2.587 7.856 4.981 1.00 0.10 H new ATOM 0 HA PHE A 466 1.658 8.899 7.315 1.00 0.15 H new ATOM 0 HB2 PHE A 466 3.590 9.570 8.621 1.00 0.17 H new ATOM 0 HB3 PHE A 466 3.362 7.832 8.616 1.00 0.17 H new ATOM 0 HD1 PHE A 466 4.829 6.585 6.681 1.00 0.14 H new ATOM 0 HD2 PHE A 466 5.743 10.346 8.439 1.00 0.36 H new ATOM 0 HE1 PHE A 466 7.180 6.312 6.035 1.00 0.20 H new ATOM 0 HE2 PHE A 466 8.119 10.062 7.799 1.00 0.41 H new ATOM 0 HZ PHE A 466 8.836 7.934 6.685 1.00 0.30 H new