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 144:sc= -2.59! (180deg=-3.81!) USER MOD Set 1.2: A 450 MET CE :methyl -166:sc= -4.62! (180deg=-5.92!) USER MOD Set 2.1: A 421 HIS : no HE2:sc= -3.55! C(o=-7.5!,f=-6.9!) USER MOD Set 2.2: A 442 CYS SG : rot -170:sc= -1.07 USER MOD Set 2.3: A 444 ASN : amide:sc= -2.86! K(o=-7.5!,f=-3.9) USER MOD Set 3.1: A 356 TYR OH : rot 21:sc= -7.09! USER MOD Set 3.2: A 358 LYS NZ :NH3+ -174:sc= 0.981 (180deg=0.0439) USER MOD Set 4.1: A 352 GLN : amide:sc= -12.1! C(o=-11!,f=-17!) USER MOD Set 4.2: A 370 SER OG : rot 140:sc= 0.973 USER MOD Single : A 343 THR OG1 : rot 12:sc= 0.748 USER MOD Single : A 344 TYR OH : rot 95:sc= 0.597 USER MOD Single : A 351 ASN : amide:sc= -1.6! X(o=-1.6!,f=-1.4) USER MOD Single : A 353 HIS : no HE2:sc= -6.63! C(o=-6.6!,f=-13!) USER MOD Single : A 354 MET CE :methyl -126:sc= -4.81! (180deg=-7.1!) 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 42:sc= -5.59! USER MOD Single : A 372 LYS NZ :NH3+ 155:sc= 0.0157 (180deg=0) USER MOD Single : A 374 THR OG1 : rot -149:sc= -2.84! USER MOD Single : A 375 THR OG1 : rot 180:sc= -0.016 USER MOD Single : A 377 THR OG1 : rot -13:sc= 0.214 USER MOD Single : A 383 TYR OH : rot -81:sc= 1.23 USER MOD Single : A 386 ASN : amide:sc= -0.249 X(o=-0.25,f=-0.69) USER MOD Single : A 387 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0541) 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= -0.143 X(o=-0.14,f=0) USER MOD Single : A 409 TYR OH : rot 180:sc= 0 USER MOD Single : A 423 SER OG : rot 180:sc= 0 USER MOD Single : A 429 TYR OH : rot -129:sc= -3.23! USER MOD Single : A 435 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 436 THR OG1 : rot 180:sc= -1.4 USER MOD Single : A 439 SER OG : rot 43:sc= 0.106 USER MOD Single : A 440 HIS : no HD1:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 445 THR OG1 : rot -137:sc= 1.24 USER MOD Single : A 448 SER OG : rot 180:sc= 0 USER MOD Single : A 451 LYS NZ :NH3+ -117:sc= 0.523 (180deg=-0.0545) USER MOD Single : A 456 MET CE :methyl -108:sc= -20.4! (180deg=-29!) USER MOD Single : A 459 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 461 THR OG1 : rot -140:sc= -1.84! USER MOD ----------------------------------------------------------------- ATOM 60 N ASP A 342 18.005 0.917 6.391 1.00 0.24 N ATOM 61 CA ASP A 342 17.224 1.841 5.601 1.00 0.20 C ATOM 62 C ASP A 342 16.828 1.195 4.292 1.00 0.17 C ATOM 63 O ASP A 342 17.472 1.386 3.261 1.00 0.19 O ATOM 64 CB ASP A 342 17.980 3.139 5.311 1.00 0.22 C ATOM 65 CG ASP A 342 18.451 3.855 6.561 1.00 0.31 C ATOM 66 OD1 ASP A 342 17.645 4.592 7.171 1.00 0.39 O ATOM 67 OD2 ASP A 342 19.627 3.674 6.948 1.00 0.43 O1- ATOM 0 HA ASP A 342 16.338 2.091 6.184 1.00 0.20 H new ATOM 0 HB2 ASP A 342 18.842 2.916 4.683 1.00 0.22 H new ATOM 0 HB3 ASP A 342 17.334 3.807 4.740 1.00 0.22 H new ATOM 72 N THR A 343 15.755 0.437 4.363 1.00 0.13 N ATOM 73 CA THR A 343 15.034 -0.041 3.209 1.00 0.10 C ATOM 74 C THR A 343 13.628 -0.396 3.626 1.00 0.08 C ATOM 75 O THR A 343 13.436 -1.060 4.648 1.00 0.10 O ATOM 76 CB THR A 343 15.648 -1.272 2.542 1.00 0.11 C ATOM 77 OG1 THR A 343 16.960 -0.972 2.045 1.00 0.14 O ATOM 78 CG2 THR A 343 14.738 -1.705 1.406 1.00 0.08 C ATOM 0 H THR A 343 15.352 0.130 5.248 1.00 0.13 H new ATOM 0 HA THR A 343 15.069 0.768 2.479 1.00 0.10 H new ATOM 0 HB THR A 343 15.743 -2.078 3.270 1.00 0.11 H new ATOM 0 HG1 THR A 343 17.258 -0.112 2.407 1.00 0.14 H new ATOM 0 HG21 THR A 343 15.159 -2.583 0.917 1.00 0.08 H new ATOM 0 HG22 THR A 343 13.752 -1.948 1.802 1.00 0.08 H new ATOM 0 HG23 THR A 343 14.648 -0.895 0.683 1.00 0.08 H new ATOM 86 N TYR A 344 12.656 0.028 2.842 1.00 0.07 N ATOM 87 CA TYR A 344 11.265 -0.164 3.199 1.00 0.06 C ATOM 88 C TYR A 344 10.359 0.519 2.217 1.00 0.06 C ATOM 89 O TYR A 344 10.769 1.415 1.510 1.00 0.06 O ATOM 90 CB TYR A 344 11.001 0.439 4.564 1.00 0.08 C ATOM 91 CG TYR A 344 11.409 1.895 4.673 1.00 0.09 C ATOM 92 CD1 TYR A 344 12.703 2.220 5.037 1.00 0.12 C ATOM 93 CD2 TYR A 344 10.519 2.933 4.418 1.00 0.09 C ATOM 94 CE1 TYR A 344 13.107 3.534 5.149 1.00 0.13 C ATOM 95 CE2 TYR A 344 10.910 4.248 4.527 1.00 0.11 C ATOM 96 CZ TYR A 344 12.207 4.546 4.893 1.00 0.13 C ATOM 97 OH TYR A 344 12.603 5.859 5.002 1.00 0.15 O ATOM 0 H TYR A 344 12.804 0.507 1.954 1.00 0.07 H new ATOM 0 HA TYR A 344 11.067 -1.236 3.199 1.00 0.06 H new ATOM 0 HB2 TYR A 344 9.939 0.350 4.792 1.00 0.08 H new ATOM 0 HB3 TYR A 344 11.538 -0.138 5.317 1.00 0.08 H new ATOM 0 HD1 TYR A 344 13.411 1.429 5.237 1.00 0.12 H new ATOM 0 HD2 TYR A 344 9.504 2.703 4.130 1.00 0.09 H new ATOM 0 HE1 TYR A 344 14.122 3.768 5.435 1.00 0.13 H new ATOM 0 HE2 TYR A 344 10.206 5.042 4.327 1.00 0.11 H new ATOM 0 HH TYR A 344 12.874 6.193 4.121 1.00 0.15 H new ATOM 107 N ILE A 345 9.127 0.075 2.158 1.00 0.06 N ATOM 108 CA ILE A 345 8.108 0.844 1.505 1.00 0.06 C ATOM 109 C ILE A 345 7.683 1.955 2.404 1.00 0.07 C ATOM 110 O ILE A 345 7.770 1.846 3.620 1.00 0.08 O ATOM 111 CB ILE A 345 6.848 0.049 1.163 1.00 0.06 C ATOM 112 CG1 ILE A 345 7.146 -1.432 1.137 1.00 0.07 C ATOM 113 CG2 ILE A 345 6.348 0.483 -0.192 1.00 0.06 C ATOM 114 CD1 ILE A 345 8.231 -1.758 0.195 1.00 0.05 C ATOM 0 H ILE A 345 8.811 -0.811 2.553 1.00 0.06 H new ATOM 0 HA ILE A 345 8.553 1.192 0.573 1.00 0.06 H new ATOM 0 HB ILE A 345 6.090 0.238 1.923 1.00 0.06 H new ATOM 0 HG12 ILE A 345 7.422 -1.764 2.138 1.00 0.07 H new ATOM 0 HG13 ILE A 345 6.246 -1.979 0.857 1.00 0.07 H new ATOM 0 HG21 ILE A 345 5.449 -0.079 -0.445 1.00 0.06 H new ATOM 0 HG22 ILE A 345 6.116 1.548 -0.170 1.00 0.06 H new ATOM 0 HG23 ILE A 345 7.117 0.294 -0.941 1.00 0.06 H new ATOM 0 HD11 ILE A 345 8.413 -2.833 0.208 1.00 0.05 H new ATOM 0 HD12 ILE A 345 7.944 -1.450 -0.811 1.00 0.05 H new ATOM 0 HD13 ILE A 345 9.139 -1.233 0.490 1.00 0.05 H new ATOM 126 N GLU A 346 7.213 2.998 1.800 1.00 0.09 N ATOM 127 CA GLU A 346 6.801 4.169 2.515 1.00 0.12 C ATOM 128 C GLU A 346 5.652 4.809 1.749 1.00 0.17 C ATOM 129 O GLU A 346 5.554 4.680 0.545 1.00 0.21 O ATOM 130 CB GLU A 346 8.017 5.077 2.580 1.00 0.15 C ATOM 131 CG GLU A 346 7.941 6.274 3.505 1.00 0.13 C ATOM 132 CD GLU A 346 6.590 6.688 3.921 1.00 1.24 C ATOM 133 OE1 GLU A 346 5.885 5.890 4.564 1.00 2.01 O1- ATOM 134 OE2 GLU A 346 6.242 7.842 3.623 1.00 1.53 O ATOM 0 H GLU A 346 7.102 3.065 0.788 1.00 0.09 H new ATOM 0 HA GLU A 346 6.450 3.958 3.525 1.00 0.12 H new ATOM 0 HB2 GLU A 346 8.873 4.473 2.880 1.00 0.15 H new ATOM 0 HB3 GLU A 346 8.220 5.441 1.573 1.00 0.15 H new ATOM 0 HG2 GLU A 346 8.523 6.053 4.400 1.00 0.13 H new ATOM 0 HG3 GLU A 346 8.422 7.119 3.013 1.00 0.13 H new ATOM 141 N VAL A 347 4.751 5.411 2.476 1.00 0.17 N ATOM 142 CA VAL A 347 3.681 6.178 1.931 1.00 0.17 C ATOM 143 C VAL A 347 3.464 7.434 2.745 1.00 0.20 C ATOM 144 O VAL A 347 3.713 7.459 3.921 1.00 0.45 O ATOM 145 CB VAL A 347 2.365 5.437 1.956 1.00 0.15 C ATOM 146 CG1 VAL A 347 1.452 6.137 0.999 1.00 0.14 C ATOM 147 CG2 VAL A 347 2.532 3.961 1.628 1.00 0.15 C ATOM 0 H VAL A 347 4.747 5.376 3.495 1.00 0.17 H new ATOM 0 HA VAL A 347 3.970 6.396 0.903 1.00 0.17 H new ATOM 0 HB VAL A 347 1.938 5.451 2.959 1.00 0.15 H new ATOM 0 HG11 VAL A 347 0.485 5.634 0.984 1.00 0.14 H new ATOM 0 HG12 VAL A 347 1.318 7.172 1.315 1.00 0.14 H new ATOM 0 HG13 VAL A 347 1.887 6.116 -0.000 1.00 0.14 H new ATOM 0 HG21 VAL A 347 1.560 3.469 1.658 1.00 0.15 H new ATOM 0 HG22 VAL A 347 2.961 3.856 0.632 1.00 0.15 H new ATOM 0 HG23 VAL A 347 3.195 3.499 2.359 1.00 0.15 H new ATOM 157 N ASP A 348 2.934 8.443 2.123 1.00 0.10 N ATOM 158 CA ASP A 348 2.589 9.658 2.798 1.00 0.09 C ATOM 159 C ASP A 348 1.232 10.079 2.283 1.00 0.08 C ATOM 160 O ASP A 348 1.079 10.506 1.152 1.00 0.10 O ATOM 161 CB ASP A 348 3.636 10.738 2.520 1.00 0.12 C ATOM 162 CG ASP A 348 3.438 11.955 3.404 1.00 0.16 C ATOM 163 OD1 ASP A 348 2.285 12.429 3.509 1.00 0.16 O1- ATOM 164 OD2 ASP A 348 4.426 12.459 3.984 1.00 0.24 O ATOM 0 H ASP A 348 2.727 8.447 1.124 1.00 0.10 H new ATOM 0 HA ASP A 348 2.559 9.510 3.878 1.00 0.09 H new ATOM 0 HB2 ASP A 348 4.633 10.328 2.683 1.00 0.12 H new ATOM 0 HB3 ASP A 348 3.581 11.036 1.473 1.00 0.12 H new ATOM 169 N LEU A 349 0.258 9.893 3.141 1.00 0.08 N ATOM 170 CA LEU A 349 -1.167 9.947 2.812 1.00 0.09 C ATOM 171 C LEU A 349 -1.624 11.364 2.718 1.00 0.12 C ATOM 172 O LEU A 349 -2.516 11.746 1.980 1.00 0.16 O ATOM 173 CB LEU A 349 -1.942 9.266 3.924 1.00 0.10 C ATOM 174 CG LEU A 349 -1.375 7.927 4.328 1.00 0.08 C ATOM 175 CD1 LEU A 349 -0.795 7.235 3.127 1.00 0.07 C ATOM 176 CD2 LEU A 349 -0.313 8.121 5.368 1.00 0.08 C ATOM 0 H LEU A 349 0.430 9.692 4.126 1.00 0.08 H new ATOM 0 HA LEU A 349 -1.334 9.451 1.856 1.00 0.09 H new ATOM 0 HB2 LEU A 349 -1.960 9.921 4.795 1.00 0.10 H new ATOM 0 HB3 LEU A 349 -2.975 9.131 3.605 1.00 0.10 H new ATOM 0 HG LEU A 349 -2.172 7.310 4.742 1.00 0.08 H new ATOM 0 HD11 LEU A 349 -0.387 6.269 3.425 1.00 0.07 H new ATOM 0 HD12 LEU A 349 -1.576 7.085 2.381 1.00 0.07 H new ATOM 0 HD13 LEU A 349 -0.001 7.848 2.702 1.00 0.07 H new ATOM 0 HD21 LEU A 349 0.094 7.152 5.657 1.00 0.08 H new ATOM 0 HD22 LEU A 349 0.485 8.743 4.962 1.00 0.08 H new ATOM 0 HD23 LEU A 349 -0.744 8.609 6.242 1.00 0.08 H new ATOM 188 N GLU A 350 -1.005 12.108 3.581 1.00 0.13 N ATOM 189 CA GLU A 350 -1.183 13.533 3.690 1.00 0.15 C ATOM 190 C GLU A 350 -0.902 14.129 2.351 1.00 0.14 C ATOM 191 O GLU A 350 -1.559 15.049 1.875 1.00 0.17 O ATOM 192 CB GLU A 350 -0.150 14.031 4.654 1.00 0.18 C ATOM 193 CG GLU A 350 0.047 13.114 5.793 1.00 0.19 C ATOM 194 CD GLU A 350 0.186 13.813 7.122 1.00 0.28 C ATOM 195 OE1 GLU A 350 -0.846 14.062 7.775 1.00 0.60 O1- ATOM 196 OE2 GLU A 350 1.327 14.130 7.513 1.00 0.57 O ATOM 0 H GLU A 350 -0.338 11.732 4.255 1.00 0.13 H new ATOM 0 HA GLU A 350 -2.189 13.792 4.021 1.00 0.15 H new ATOM 0 HB2 GLU A 350 0.797 14.164 4.131 1.00 0.18 H new ATOM 0 HB3 GLU A 350 -0.448 15.011 5.027 1.00 0.18 H new ATOM 0 HG2 GLU A 350 -0.796 12.425 5.842 1.00 0.19 H new ATOM 0 HG3 GLU A 350 0.939 12.514 5.614 1.00 0.19 H new ATOM 203 N ASN A 351 0.166 13.593 1.814 1.00 0.12 N ATOM 204 CA ASN A 351 0.732 14.045 0.550 1.00 0.11 C ATOM 205 C ASN A 351 0.354 13.118 -0.588 1.00 0.09 C ATOM 206 O ASN A 351 0.804 13.274 -1.722 1.00 0.10 O ATOM 207 CB ASN A 351 2.250 14.123 0.676 1.00 0.13 C ATOM 208 CG ASN A 351 2.659 15.201 1.637 1.00 0.17 C ATOM 209 OD1 ASN A 351 3.004 16.318 1.245 1.00 0.20 O ATOM 210 ND2 ASN A 351 2.596 14.881 2.906 1.00 0.18 N ATOM 0 H ASN A 351 0.679 12.821 2.241 1.00 0.12 H new ATOM 0 HA ASN A 351 0.327 15.031 0.324 1.00 0.11 H new ATOM 0 HB2 ASN A 351 2.639 13.163 1.015 1.00 0.13 H new ATOM 0 HB3 ASN A 351 2.689 14.318 -0.302 1.00 0.13 H new ATOM 0 HD21 ASN A 351 2.838 15.570 3.618 1.00 0.18 H new ATOM 0 HD22 ASN A 351 2.305 13.943 3.182 1.00 0.18 H new ATOM 217 N GLN A 352 -0.489 12.149 -0.211 1.00 0.08 N ATOM 218 CA GLN A 352 -0.908 11.021 -1.046 1.00 0.08 C ATOM 219 C GLN A 352 0.145 10.576 -2.024 1.00 0.07 C ATOM 220 O GLN A 352 -0.054 10.574 -3.236 1.00 0.08 O ATOM 221 CB GLN A 352 -2.229 11.278 -1.739 1.00 0.12 C ATOM 222 CG GLN A 352 -3.374 11.233 -0.769 1.00 0.21 C ATOM 223 CD GLN A 352 -3.567 9.861 -0.167 1.00 1.28 C ATOM 224 OE1 GLN A 352 -3.332 8.863 -0.803 1.00 2.15 O ATOM 225 NE2 GLN A 352 -3.965 9.806 1.081 1.00 1.89 N ATOM 0 H GLN A 352 -0.912 12.130 0.717 1.00 0.08 H new ATOM 0 HA GLN A 352 -1.054 10.192 -0.354 1.00 0.08 H new ATOM 0 HB2 GLN A 352 -2.202 12.252 -2.227 1.00 0.12 H new ATOM 0 HB3 GLN A 352 -2.383 10.534 -2.520 1.00 0.12 H new ATOM 0 HG2 GLN A 352 -3.199 11.955 0.029 1.00 0.21 H new ATOM 0 HG3 GLN A 352 -4.289 11.535 -1.278 1.00 0.21 H new ATOM 0 HE21 GLN A 352 -4.156 10.667 1.594 1.00 1.89 H new ATOM 0 HE22 GLN A 352 -4.083 8.902 1.539 1.00 1.89 H new ATOM 234 N HIS A 353 1.244 10.135 -1.472 1.00 0.05 N ATOM 235 CA HIS A 353 2.364 9.688 -2.262 1.00 0.05 C ATOM 236 C HIS A 353 2.999 8.479 -1.617 1.00 0.06 C ATOM 237 O HIS A 353 3.156 8.425 -0.417 1.00 0.07 O ATOM 238 CB HIS A 353 3.376 10.819 -2.409 1.00 0.06 C ATOM 239 CG HIS A 353 4.415 10.537 -3.433 1.00 0.06 C ATOM 240 ND1 HIS A 353 4.315 10.883 -4.766 1.00 0.09 N ATOM 241 CD2 HIS A 353 5.564 9.878 -3.305 1.00 0.06 C ATOM 242 CE1 HIS A 353 5.379 10.431 -5.408 1.00 0.09 C ATOM 243 NE2 HIS A 353 6.152 9.823 -4.534 1.00 0.07 N ATOM 0 H HIS A 353 1.390 10.075 -0.464 1.00 0.05 H new ATOM 0 HA HIS A 353 2.017 9.404 -3.255 1.00 0.05 H new ATOM 0 HB2 HIS A 353 2.851 11.737 -2.675 1.00 0.06 H new ATOM 0 HB3 HIS A 353 3.859 10.995 -1.448 1.00 0.06 H new ATOM 0 HD1 HIS A 353 3.545 11.403 -5.187 1.00 0.09 H new ATOM 0 HD2 HIS A 353 5.960 9.461 -2.391 1.00 0.06 H new ATOM 0 HE1 HIS A 353 5.578 10.541 -6.464 1.00 0.09 H new ATOM 252 N MET A 354 3.331 7.501 -2.427 1.00 0.05 N ATOM 253 CA MET A 354 3.927 6.292 -1.946 1.00 0.06 C ATOM 254 C MET A 354 5.362 6.181 -2.439 1.00 0.05 C ATOM 255 O MET A 354 5.739 6.800 -3.432 1.00 0.06 O ATOM 256 CB MET A 354 3.126 5.086 -2.393 1.00 0.07 C ATOM 257 CG MET A 354 3.418 3.836 -1.596 1.00 0.07 C ATOM 258 SD MET A 354 3.729 2.394 -2.621 1.00 0.06 S ATOM 259 CE MET A 354 4.966 3.047 -3.731 1.00 0.05 C ATOM 0 H MET A 354 3.193 7.528 -3.437 1.00 0.05 H new ATOM 0 HA MET A 354 3.929 6.320 -0.856 1.00 0.06 H new ATOM 0 HB2 MET A 354 2.064 5.317 -2.315 1.00 0.07 H new ATOM 0 HB3 MET A 354 3.333 4.892 -3.445 1.00 0.07 H new ATOM 0 HG2 MET A 354 4.285 4.014 -0.959 1.00 0.07 H new ATOM 0 HG3 MET A 354 2.575 3.629 -0.937 1.00 0.07 H new ATOM 0 HE1 MET A 354 4.649 2.890 -4.762 1.00 0.05 H new ATOM 0 HE2 MET A 354 5.091 4.114 -3.549 1.00 0.05 H new ATOM 0 HE3 MET A 354 5.914 2.536 -3.561 1.00 0.05 H new ATOM 269 N TRP A 355 6.139 5.381 -1.751 1.00 0.05 N ATOM 270 CA TRP A 355 7.544 5.194 -2.041 1.00 0.07 C ATOM 271 C TRP A 355 7.964 3.774 -1.793 1.00 0.07 C ATOM 272 O TRP A 355 7.308 3.034 -1.080 1.00 0.11 O ATOM 273 CB TRP A 355 8.434 6.036 -1.128 1.00 0.08 C ATOM 274 CG TRP A 355 8.328 7.488 -1.304 1.00 0.07 C ATOM 275 CD1 TRP A 355 9.048 8.261 -2.124 1.00 0.06 C ATOM 276 CD2 TRP A 355 7.473 8.334 -0.587 1.00 0.07 C ATOM 277 NE1 TRP A 355 8.667 9.566 -1.999 1.00 0.05 N ATOM 278 CE2 TRP A 355 7.689 9.636 -1.031 1.00 0.06 C ATOM 279 CE3 TRP A 355 6.535 8.101 0.383 1.00 0.08 C ATOM 280 CZ2 TRP A 355 6.971 10.703 -0.500 1.00 0.07 C ATOM 281 CZ3 TRP A 355 5.850 9.122 0.899 1.00 0.09 C ATOM 282 CH2 TRP A 355 6.060 10.422 0.467 1.00 0.09 C ATOM 0 H TRP A 355 5.809 4.830 -0.959 1.00 0.05 H new ATOM 0 HA TRP A 355 7.662 5.482 -3.086 1.00 0.07 H new ATOM 0 HB2 TRP A 355 8.193 5.795 -0.093 1.00 0.08 H new ATOM 0 HB3 TRP A 355 9.471 5.743 -1.291 1.00 0.08 H new ATOM 0 HD1 TRP A 355 9.820 7.904 -2.790 1.00 0.06 H new ATOM 0 HE1 TRP A 355 9.041 10.352 -2.530 1.00 0.05 H new ATOM 0 HE3 TRP A 355 6.351 7.095 0.729 1.00 0.08 H new ATOM 0 HZ2 TRP A 355 7.132 11.714 -0.843 1.00 0.07 H new ATOM 0 HZ3 TRP A 355 5.117 8.932 1.669 1.00 0.09 H new ATOM 0 HH2 TRP A 355 5.489 11.226 0.907 1.00 0.09 H new ATOM 293 N TYR A 356 9.066 3.420 -2.381 1.00 0.04 N ATOM 294 CA TYR A 356 9.917 2.411 -1.823 1.00 0.04 C ATOM 295 C TYR A 356 11.172 3.092 -1.427 1.00 0.04 C ATOM 296 O TYR A 356 11.555 4.082 -2.011 1.00 0.05 O ATOM 297 CB TYR A 356 10.272 1.358 -2.801 1.00 0.03 C ATOM 298 CG TYR A 356 11.162 0.276 -2.213 1.00 0.03 C ATOM 299 CD1 TYR A 356 10.649 -0.728 -1.419 1.00 0.05 C ATOM 300 CD2 TYR A 356 12.521 0.300 -2.411 1.00 0.05 C ATOM 301 CE1 TYR A 356 11.469 -1.666 -0.827 1.00 0.11 C ATOM 302 CE2 TYR A 356 13.338 -0.632 -1.841 1.00 0.10 C ATOM 303 CZ TYR A 356 12.744 -1.773 -1.241 1.00 0.05 C ATOM 304 OH TYR A 356 13.648 -2.504 -0.427 1.00 0.26 O ATOM 0 H TYR A 356 9.401 3.820 -3.258 1.00 0.04 H new ATOM 0 HA TYR A 356 9.395 1.932 -0.994 1.00 0.04 H new ATOM 0 HB2 TYR A 356 9.359 0.902 -3.182 1.00 0.03 H new ATOM 0 HB3 TYR A 356 10.779 1.815 -3.651 1.00 0.03 H new ATOM 0 HD1 TYR A 356 9.583 -0.781 -1.257 1.00 0.05 H new ATOM 0 HD2 TYR A 356 12.952 1.073 -3.031 1.00 0.05 H new ATOM 0 HE1 TYR A 356 11.092 -2.305 -0.042 1.00 0.11 H new ATOM 0 HE2 TYR A 356 14.410 -0.505 -1.846 1.00 0.10 H new ATOM 0 HH TYR A 356 13.146 -3.107 0.160 1.00 0.26 H new ATOM 314 N TYR A 357 11.812 2.536 -0.483 1.00 0.05 N ATOM 315 CA TYR A 357 13.027 3.095 0.040 1.00 0.06 C ATOM 316 C TYR A 357 14.108 2.063 0.052 1.00 0.06 C ATOM 317 O TYR A 357 13.998 1.048 0.719 1.00 0.07 O ATOM 318 CB TYR A 357 12.854 3.640 1.450 1.00 0.07 C ATOM 319 CG TYR A 357 12.478 5.095 1.519 1.00 0.07 C ATOM 320 CD1 TYR A 357 11.175 5.515 1.294 1.00 0.08 C ATOM 321 CD2 TYR A 357 13.439 6.049 1.818 1.00 0.10 C ATOM 322 CE1 TYR A 357 10.836 6.855 1.363 1.00 0.10 C ATOM 323 CE2 TYR A 357 13.115 7.384 1.888 1.00 0.11 C ATOM 324 CZ TYR A 357 11.811 7.789 1.661 1.00 0.11 C ATOM 325 OH TYR A 357 11.482 9.124 1.729 1.00 0.14 O ATOM 0 H TYR A 357 11.520 1.669 -0.032 1.00 0.05 H new ATOM 0 HA TYR A 357 13.298 3.923 -0.615 1.00 0.06 H new ATOM 0 HB2 TYR A 357 12.087 3.056 1.959 1.00 0.07 H new ATOM 0 HB3 TYR A 357 13.784 3.493 1.999 1.00 0.07 H new ATOM 0 HD1 TYR A 357 10.414 4.785 1.061 1.00 0.08 H new ATOM 0 HD2 TYR A 357 14.458 5.739 1.999 1.00 0.10 H new ATOM 0 HE1 TYR A 357 9.818 7.169 1.185 1.00 0.10 H new ATOM 0 HE2 TYR A 357 13.876 8.114 2.120 1.00 0.11 H new ATOM 0 HH TYR A 357 12.281 9.647 1.950 1.00 0.14 H new ATOM 335 N LYS A 358 15.123 2.323 -0.710 1.00 0.07 N ATOM 336 CA LYS A 358 16.346 1.575 -0.636 1.00 0.09 C ATOM 337 C LYS A 358 17.411 2.558 -0.229 1.00 0.13 C ATOM 338 O LYS A 358 17.420 3.666 -0.702 1.00 0.25 O ATOM 339 CB LYS A 358 16.708 0.961 -1.970 1.00 0.11 C ATOM 340 CG LYS A 358 17.698 -0.153 -1.840 1.00 0.12 C ATOM 341 CD LYS A 358 17.025 -1.317 -1.232 1.00 0.09 C ATOM 342 CE LYS A 358 16.505 -2.202 -2.312 1.00 0.09 C ATOM 343 NZ LYS A 358 15.972 -3.488 -1.788 1.00 0.10 N1+ ATOM 0 H LYS A 358 15.130 3.066 -1.408 1.00 0.07 H new ATOM 0 HA LYS A 358 16.245 0.754 0.073 1.00 0.09 H new ATOM 0 HB2 LYS A 358 15.804 0.585 -2.450 1.00 0.11 H new ATOM 0 HB3 LYS A 358 17.118 1.732 -2.622 1.00 0.11 H new ATOM 0 HG2 LYS A 358 18.100 -0.417 -2.818 1.00 0.12 H new ATOM 0 HG3 LYS A 358 18.541 0.161 -1.224 1.00 0.12 H new ATOM 0 HD2 LYS A 358 17.723 -1.866 -0.600 1.00 0.09 H new ATOM 0 HD3 LYS A 358 16.207 -0.986 -0.592 1.00 0.09 H new ATOM 0 HE2 LYS A 358 15.717 -1.681 -2.856 1.00 0.09 H new ATOM 0 HE3 LYS A 358 17.303 -2.407 -3.025 1.00 0.09 H new ATOM 0 HZ1 LYS A 358 15.717 -4.108 -2.583 1.00 0.10 H new ATOM 0 HZ2 LYS A 358 16.697 -3.953 -1.205 1.00 0.10 H new ATOM 0 HZ3 LYS A 358 15.128 -3.304 -1.208 1.00 0.10 H new ATOM 357 N ASP A 359 18.287 2.147 0.658 1.00 0.13 N ATOM 358 CA ASP A 359 19.467 2.935 1.022 1.00 0.16 C ATOM 359 C ASP A 359 19.135 4.189 1.801 1.00 0.16 C ATOM 360 O ASP A 359 19.975 5.076 1.952 1.00 0.28 O ATOM 361 CB ASP A 359 20.261 3.347 -0.198 1.00 0.19 C ATOM 362 CG ASP A 359 21.725 2.974 -0.107 1.00 0.28 C ATOM 363 OD1 ASP A 359 22.472 3.642 0.639 1.00 0.39 O1- ATOM 364 OD2 ASP A 359 22.138 2.009 -0.787 1.00 0.43 O ATOM 0 H ASP A 359 18.212 1.259 1.154 1.00 0.13 H new ATOM 0 HA ASP A 359 20.055 2.273 1.657 1.00 0.16 H new ATOM 0 HB2 ASP A 359 19.827 2.879 -1.082 1.00 0.19 H new ATOM 0 HB3 ASP A 359 20.175 4.425 -0.333 1.00 0.19 H new ATOM 369 N GLY A 360 17.924 4.226 2.340 1.00 0.15 N ATOM 370 CA GLY A 360 17.434 5.424 2.998 1.00 0.15 C ATOM 371 C GLY A 360 16.994 6.473 2.043 1.00 0.14 C ATOM 372 O GLY A 360 16.652 7.593 2.424 1.00 0.18 O ATOM 0 H GLY A 360 17.268 3.445 2.334 1.00 0.15 H new ATOM 0 HA2 GLY A 360 16.600 5.159 3.648 1.00 0.15 H new ATOM 0 HA3 GLY A 360 18.220 5.828 3.636 1.00 0.15 H new ATOM 376 N LYS A 361 16.969 6.080 0.816 1.00 0.13 N ATOM 377 CA LYS A 361 16.544 6.908 -0.261 1.00 0.13 C ATOM 378 C LYS A 361 15.511 6.086 -0.983 1.00 0.09 C ATOM 379 O LYS A 361 15.229 4.974 -0.562 1.00 0.12 O ATOM 380 CB LYS A 361 17.761 7.185 -1.110 1.00 0.16 C ATOM 381 CG LYS A 361 18.235 5.965 -1.861 1.00 0.17 C ATOM 382 CD LYS A 361 19.269 6.289 -2.890 1.00 0.23 C ATOM 383 CE LYS A 361 18.694 7.215 -3.936 1.00 0.26 C ATOM 384 NZ LYS A 361 19.494 7.214 -5.190 1.00 0.37 N1+ ATOM 0 H LYS A 361 17.253 5.144 0.525 1.00 0.13 H new ATOM 0 HA LYS A 361 16.119 7.869 0.030 1.00 0.13 H new ATOM 0 HB2 LYS A 361 17.530 7.978 -1.821 1.00 0.16 H new ATOM 0 HB3 LYS A 361 18.567 7.552 -0.474 1.00 0.16 H new ATOM 0 HG2 LYS A 361 18.645 5.244 -1.154 1.00 0.17 H new ATOM 0 HG3 LYS A 361 17.383 5.487 -2.345 1.00 0.17 H new ATOM 0 HD2 LYS A 361 20.131 6.757 -2.415 1.00 0.23 H new ATOM 0 HD3 LYS A 361 19.623 5.372 -3.361 1.00 0.23 H new ATOM 0 HE2 LYS A 361 17.670 6.916 -4.160 1.00 0.26 H new ATOM 0 HE3 LYS A 361 18.649 8.228 -3.537 1.00 0.26 H new ATOM 0 HZ1 LYS A 361 19.062 7.863 -5.878 1.00 0.37 H new ATOM 0 HZ2 LYS A 361 20.465 7.525 -4.983 1.00 0.37 H new ATOM 0 HZ3 LYS A 361 19.516 6.253 -5.587 1.00 0.37 H new ATOM 398 N VAL A 362 14.892 6.589 -2.011 1.00 0.09 N ATOM 399 CA VAL A 362 13.868 5.787 -2.621 1.00 0.07 C ATOM 400 C VAL A 362 14.219 5.141 -3.905 1.00 0.07 C ATOM 401 O VAL A 362 15.102 5.560 -4.653 1.00 0.10 O ATOM 402 CB VAL A 362 12.556 6.498 -2.806 1.00 0.07 C ATOM 403 CG1 VAL A 362 12.107 7.035 -1.500 1.00 0.07 C ATOM 404 CG2 VAL A 362 12.626 7.570 -3.824 1.00 0.09 C ATOM 0 H VAL A 362 15.063 7.503 -2.429 1.00 0.09 H new ATOM 0 HA VAL A 362 13.766 5.001 -1.873 1.00 0.07 H new ATOM 0 HB VAL A 362 11.830 5.775 -3.179 1.00 0.07 H new ATOM 0 HG11 VAL A 362 11.156 7.552 -1.627 1.00 0.07 H new ATOM 0 HG12 VAL A 362 11.983 6.215 -0.793 1.00 0.07 H new ATOM 0 HG13 VAL A 362 12.852 7.734 -1.118 1.00 0.07 H new ATOM 0 HG21 VAL A 362 11.651 8.049 -3.916 1.00 0.09 H new ATOM 0 HG22 VAL A 362 13.367 8.310 -3.522 1.00 0.09 H new ATOM 0 HG23 VAL A 362 12.911 7.141 -4.785 1.00 0.09 H new ATOM 414 N ALA A 363 13.443 4.111 -4.134 1.00 0.05 N ATOM 415 CA ALA A 363 13.538 3.302 -5.283 1.00 0.05 C ATOM 416 C ALA A 363 12.350 3.623 -6.121 1.00 0.05 C ATOM 417 O ALA A 363 12.351 3.541 -7.349 1.00 0.07 O ATOM 418 CB ALA A 363 13.518 1.845 -4.872 1.00 0.05 C ATOM 0 H ALA A 363 12.707 3.818 -3.491 1.00 0.05 H new ATOM 0 HA ALA A 363 14.461 3.483 -5.834 1.00 0.05 H new ATOM 0 HB1 ALA A 363 13.591 1.216 -5.759 1.00 0.05 H new ATOM 0 HB2 ALA A 363 14.361 1.642 -4.212 1.00 0.05 H new ATOM 0 HB3 ALA A 363 12.587 1.627 -4.349 1.00 0.05 H new ATOM 424 N LEU A 364 11.337 4.018 -5.389 1.00 0.04 N ATOM 425 CA LEU A 364 10.049 4.296 -5.921 1.00 0.04 C ATOM 426 C LEU A 364 9.509 5.570 -5.405 1.00 0.05 C ATOM 427 O LEU A 364 9.706 5.948 -4.253 1.00 0.06 O ATOM 428 CB LEU A 364 9.127 3.181 -5.529 1.00 0.04 C ATOM 429 CG LEU A 364 8.459 2.504 -6.677 1.00 0.05 C ATOM 430 CD1 LEU A 364 9.495 2.161 -7.699 1.00 0.05 C ATOM 431 CD2 LEU A 364 7.788 1.270 -6.189 1.00 0.05 C ATOM 0 H LEU A 364 11.400 4.155 -4.380 1.00 0.04 H new ATOM 0 HA LEU A 364 10.131 4.380 -7.005 1.00 0.04 H new ATOM 0 HB2 LEU A 364 9.692 2.440 -4.964 1.00 0.04 H new ATOM 0 HB3 LEU A 364 8.362 3.576 -4.860 1.00 0.04 H new ATOM 0 HG LEU A 364 7.712 3.159 -7.126 1.00 0.05 H new ATOM 0 HD11 LEU A 364 9.021 1.665 -8.546 1.00 0.05 H new ATOM 0 HD12 LEU A 364 9.985 3.073 -8.041 1.00 0.05 H new ATOM 0 HD13 LEU A 364 10.236 1.495 -7.257 1.00 0.05 H new ATOM 0 HD21 LEU A 364 7.297 0.769 -7.023 1.00 0.05 H new ATOM 0 HD22 LEU A 364 8.529 0.602 -5.750 1.00 0.05 H new ATOM 0 HD23 LEU A 364 7.045 1.533 -5.436 1.00 0.05 H new ATOM 443 N GLU A 365 8.801 6.196 -6.280 1.00 0.05 N ATOM 444 CA GLU A 365 8.098 7.376 -5.981 1.00 0.06 C ATOM 445 C GLU A 365 6.834 7.257 -6.742 1.00 0.05 C ATOM 446 O GLU A 365 6.853 7.159 -7.967 1.00 0.07 O ATOM 447 CB GLU A 365 8.904 8.554 -6.461 1.00 0.10 C ATOM 448 CG GLU A 365 9.022 9.683 -5.451 1.00 0.16 C ATOM 449 CD GLU A 365 10.048 10.727 -5.836 1.00 0.27 C ATOM 450 OE1 GLU A 365 9.716 11.632 -6.628 1.00 0.45 O1- ATOM 451 OE2 GLU A 365 11.200 10.633 -5.365 1.00 0.48 O ATOM 0 H GLU A 365 8.698 5.886 -7.246 1.00 0.05 H new ATOM 0 HA GLU A 365 7.913 7.516 -4.916 1.00 0.06 H new ATOM 0 HB2 GLU A 365 9.905 8.212 -6.725 1.00 0.10 H new ATOM 0 HB3 GLU A 365 8.450 8.943 -7.372 1.00 0.10 H new ATOM 0 HG2 GLU A 365 8.050 10.163 -5.338 1.00 0.16 H new ATOM 0 HG3 GLU A 365 9.286 9.266 -4.479 1.00 0.16 H new ATOM 458 N THR A 366 5.742 7.245 -6.054 1.00 0.05 N ATOM 459 CA THR A 366 4.525 7.137 -6.740 1.00 0.06 C ATOM 460 C THR A 366 3.435 7.841 -5.992 1.00 0.06 C ATOM 461 O THR A 366 3.574 8.154 -4.829 1.00 0.07 O ATOM 462 CB THR A 366 4.189 5.658 -6.956 1.00 0.06 C ATOM 463 OG1 THR A 366 3.580 5.465 -8.213 1.00 0.07 O ATOM 464 CG2 THR A 366 3.252 5.162 -5.894 1.00 0.07 C ATOM 0 H THR A 366 5.678 7.308 -5.038 1.00 0.05 H new ATOM 0 HA THR A 366 4.615 7.618 -7.714 1.00 0.06 H new ATOM 0 HB THR A 366 5.125 5.101 -6.908 1.00 0.06 H new ATOM 0 HG1 THR A 366 4.043 6.005 -8.887 1.00 0.07 H new ATOM 0 HG21 THR A 366 3.028 4.110 -6.069 1.00 0.07 H new ATOM 0 HG22 THR A 366 3.718 5.276 -4.915 1.00 0.07 H new ATOM 0 HG23 THR A 366 2.328 5.739 -5.925 1.00 0.07 H new ATOM 472 N ASP A 367 2.366 8.092 -6.662 1.00 0.07 N ATOM 473 CA ASP A 367 1.246 8.755 -6.055 1.00 0.09 C ATOM 474 C ASP A 367 0.200 7.717 -5.699 1.00 0.09 C ATOM 475 O ASP A 367 0.037 6.742 -6.420 1.00 0.11 O ATOM 476 CB ASP A 367 0.716 9.790 -7.032 1.00 0.13 C ATOM 477 CG ASP A 367 1.072 11.213 -6.640 1.00 0.98 C ATOM 478 OD1 ASP A 367 2.223 11.451 -6.220 1.00 1.80 O1- ATOM 479 OD2 ASP A 367 0.193 12.098 -6.712 1.00 1.65 O ATOM 0 H ASP A 367 2.234 7.848 -7.644 1.00 0.07 H new ATOM 0 HA ASP A 367 1.532 9.268 -5.137 1.00 0.09 H new ATOM 0 HB2 ASP A 367 1.115 9.582 -8.025 1.00 0.13 H new ATOM 0 HB3 ASP A 367 -0.368 9.698 -7.098 1.00 0.13 H new ATOM 484 N ILE A 368 -0.465 7.890 -4.567 1.00 0.09 N ATOM 485 CA ILE A 368 -1.388 6.877 -4.067 1.00 0.08 C ATOM 486 C ILE A 368 -2.654 7.471 -3.548 1.00 0.07 C ATOM 487 O ILE A 368 -2.908 8.669 -3.663 1.00 0.08 O ATOM 488 CB ILE A 368 -0.786 6.054 -2.929 1.00 0.09 C ATOM 489 CG1 ILE A 368 -0.012 6.930 -1.983 1.00 0.08 C ATOM 490 CG2 ILE A 368 0.088 4.977 -3.486 1.00 0.12 C ATOM 491 CD1 ILE A 368 -0.839 7.557 -0.876 1.00 0.08 C ATOM 0 H ILE A 368 -0.385 8.718 -3.977 1.00 0.09 H new ATOM 0 HA ILE A 368 -1.592 6.241 -4.928 1.00 0.08 H new ATOM 0 HB ILE A 368 -1.598 5.593 -2.367 1.00 0.09 H new ATOM 0 HG12 ILE A 368 0.785 6.339 -1.532 1.00 0.08 H new ATOM 0 HG13 ILE A 368 0.466 7.725 -2.555 1.00 0.08 H new ATOM 0 HG21 ILE A 368 0.513 4.395 -2.669 1.00 0.12 H new ATOM 0 HG22 ILE A 368 -0.504 4.324 -4.127 1.00 0.12 H new ATOM 0 HG23 ILE A 368 0.892 5.426 -4.069 1.00 0.12 H new ATOM 0 HD11 ILE A 368 -0.196 8.171 -0.245 1.00 0.08 H new ATOM 0 HD12 ILE A 368 -1.620 8.180 -1.313 1.00 0.08 H new ATOM 0 HD13 ILE A 368 -1.296 6.772 -0.274 1.00 0.08 H new ATOM 503 N VAL A 369 -3.430 6.597 -2.959 1.00 0.07 N ATOM 504 CA VAL A 369 -4.606 6.973 -2.233 1.00 0.08 C ATOM 505 C VAL A 369 -4.892 5.940 -1.170 1.00 0.09 C ATOM 506 O VAL A 369 -5.048 4.748 -1.425 1.00 0.10 O ATOM 507 CB VAL A 369 -5.836 7.284 -3.133 1.00 0.08 C ATOM 508 CG1 VAL A 369 -5.554 6.995 -4.610 1.00 0.10 C ATOM 509 CG2 VAL A 369 -7.087 6.552 -2.651 1.00 0.09 C ATOM 0 H VAL A 369 -3.256 5.592 -2.973 1.00 0.07 H new ATOM 0 HA VAL A 369 -4.403 7.927 -1.746 1.00 0.08 H new ATOM 0 HB VAL A 369 -6.028 8.353 -3.046 1.00 0.08 H new ATOM 0 HG11 VAL A 369 -6.440 7.226 -5.202 1.00 0.10 H new ATOM 0 HG12 VAL A 369 -4.721 7.611 -4.949 1.00 0.10 H new ATOM 0 HG13 VAL A 369 -5.301 5.942 -4.733 1.00 0.10 H new ATOM 0 HG21 VAL A 369 -7.925 6.794 -3.305 1.00 0.09 H new ATOM 0 HG22 VAL A 369 -6.910 5.477 -2.672 1.00 0.09 H new ATOM 0 HG23 VAL A 369 -7.320 6.862 -1.632 1.00 0.09 H new ATOM 519 N SER A 370 -4.842 6.447 0.033 1.00 0.09 N ATOM 520 CA SER A 370 -5.013 5.683 1.245 1.00 0.08 C ATOM 521 C SER A 370 -6.486 5.399 1.517 1.00 0.08 C ATOM 522 O SER A 370 -7.316 5.572 0.625 1.00 0.10 O ATOM 523 CB SER A 370 -4.319 6.388 2.402 1.00 0.13 C ATOM 524 OG SER A 370 -4.773 7.717 2.542 1.00 1.26 O ATOM 0 H SER A 370 -4.675 7.439 0.204 1.00 0.09 H new ATOM 0 HA SER A 370 -4.540 4.708 1.126 1.00 0.08 H new ATOM 0 HB2 SER A 370 -4.502 5.840 3.326 1.00 0.13 H new ATOM 0 HB3 SER A 370 -3.241 6.385 2.238 1.00 0.13 H new ATOM 0 HG SER A 370 -4.871 7.931 3.493 1.00 1.26 H new ATOM 530 N GLY A 371 -6.827 4.925 2.697 1.00 0.09 N ATOM 531 CA GLY A 371 -8.198 4.534 2.914 1.00 0.12 C ATOM 532 C GLY A 371 -9.070 5.706 3.316 1.00 0.12 C ATOM 533 O GLY A 371 -8.577 6.785 3.650 1.00 0.14 O ATOM 0 H GLY A 371 -6.199 4.805 3.492 1.00 0.09 H new ATOM 0 HA2 GLY A 371 -8.594 4.084 2.004 1.00 0.12 H new ATOM 0 HA3 GLY A 371 -8.238 3.770 3.691 1.00 0.12 H new ATOM 537 N LYS A 372 -10.371 5.490 3.241 1.00 0.16 N ATOM 538 CA LYS A 372 -11.358 6.557 3.359 1.00 0.16 C ATOM 539 C LYS A 372 -11.453 7.077 4.798 1.00 0.18 C ATOM 540 O LYS A 372 -11.108 6.391 5.746 1.00 0.21 O ATOM 541 CB LYS A 372 -12.707 6.010 2.904 1.00 0.19 C ATOM 542 CG LYS A 372 -13.361 5.126 3.932 1.00 0.27 C ATOM 543 CD LYS A 372 -14.011 3.939 3.283 1.00 0.47 C ATOM 544 CE LYS A 372 -15.145 4.391 2.414 1.00 0.81 C ATOM 545 NZ LYS A 372 -15.761 3.282 1.644 1.00 0.79 N1+ ATOM 0 H LYS A 372 -10.778 4.566 3.096 1.00 0.16 H new ATOM 0 HA LYS A 372 -11.056 7.397 2.733 1.00 0.16 H new ATOM 0 HB2 LYS A 372 -13.371 6.843 2.674 1.00 0.19 H new ATOM 0 HB3 LYS A 372 -12.571 5.446 1.981 1.00 0.19 H new ATOM 0 HG2 LYS A 372 -12.617 4.789 4.654 1.00 0.27 H new ATOM 0 HG3 LYS A 372 -14.107 5.696 4.486 1.00 0.27 H new ATOM 0 HD2 LYS A 372 -13.279 3.393 2.687 1.00 0.47 H new ATOM 0 HD3 LYS A 372 -14.377 3.252 4.046 1.00 0.47 H new ATOM 0 HE2 LYS A 372 -15.907 4.862 3.035 1.00 0.81 H new ATOM 0 HE3 LYS A 372 -14.784 5.151 1.721 1.00 0.81 H new ATOM 0 HZ1 LYS A 372 -16.745 3.526 1.410 1.00 0.79 H new ATOM 0 HZ2 LYS A 372 -15.224 3.129 0.766 1.00 0.79 H new ATOM 0 HZ3 LYS A 372 -15.746 2.413 2.215 1.00 0.79 H new ATOM 559 N PRO A 373 -11.937 8.335 4.941 1.00 0.19 N ATOM 560 CA PRO A 373 -11.991 9.087 6.212 1.00 0.21 C ATOM 561 C PRO A 373 -12.730 8.373 7.300 1.00 0.24 C ATOM 562 O PRO A 373 -12.526 8.614 8.485 1.00 0.28 O ATOM 563 CB PRO A 373 -12.829 10.288 5.842 1.00 0.23 C ATOM 564 CG PRO A 373 -12.523 10.515 4.430 1.00 0.21 C ATOM 565 CD PRO A 373 -12.485 9.145 3.842 1.00 0.19 C ATOM 0 HA PRO A 373 -10.985 9.277 6.588 1.00 0.21 H new ATOM 0 HB2 PRO A 373 -13.891 10.095 5.994 1.00 0.23 H new ATOM 0 HB3 PRO A 373 -12.573 11.156 6.450 1.00 0.23 H new ATOM 0 HG2 PRO A 373 -13.283 11.133 3.952 1.00 0.21 H new ATOM 0 HG3 PRO A 373 -11.570 11.029 4.306 1.00 0.21 H new ATOM 0 HD2 PRO A 373 -13.477 8.805 3.544 1.00 0.19 H new ATOM 0 HD3 PRO A 373 -11.854 9.103 2.954 1.00 0.19 H new ATOM 573 N THR A 374 -13.661 7.572 6.856 1.00 0.25 N ATOM 574 CA THR A 374 -14.540 6.848 7.748 1.00 0.28 C ATOM 575 C THR A 374 -13.760 5.756 8.458 1.00 0.30 C ATOM 576 O THR A 374 -14.021 5.416 9.610 1.00 0.33 O ATOM 577 CB THR A 374 -15.715 6.218 6.976 1.00 0.29 C ATOM 578 OG1 THR A 374 -15.274 5.078 6.234 1.00 0.29 O ATOM 579 CG2 THR A 374 -16.298 7.224 6.014 1.00 0.29 C ATOM 0 H THR A 374 -13.835 7.400 5.866 1.00 0.25 H new ATOM 0 HA THR A 374 -14.942 7.552 8.477 1.00 0.28 H new ATOM 0 HB THR A 374 -16.471 5.911 7.699 1.00 0.29 H new ATOM 0 HG1 THR A 374 -15.815 4.987 5.422 1.00 0.29 H new ATOM 0 HG21 THR A 374 -17.128 6.771 5.472 1.00 0.29 H new ATOM 0 HG22 THR A 374 -16.657 8.092 6.568 1.00 0.29 H new ATOM 0 HG23 THR A 374 -15.531 7.537 5.306 1.00 0.29 H new ATOM 587 N THR A 375 -12.785 5.238 7.737 1.00 0.28 N ATOM 588 CA THR A 375 -11.914 4.180 8.211 1.00 0.31 C ATOM 589 C THR A 375 -10.499 4.450 7.729 1.00 0.29 C ATOM 590 O THR A 375 -9.940 3.800 6.842 1.00 0.29 O ATOM 591 CB THR A 375 -12.436 2.816 7.784 1.00 0.34 C ATOM 592 OG1 THR A 375 -11.443 1.794 7.951 1.00 0.39 O ATOM 593 CG2 THR A 375 -12.930 2.867 6.348 1.00 0.31 C ATOM 0 H THR A 375 -12.572 5.546 6.788 1.00 0.28 H new ATOM 0 HA THR A 375 -11.900 4.167 9.301 1.00 0.31 H new ATOM 0 HB THR A 375 -13.275 2.559 8.431 1.00 0.34 H new ATOM 0 HG1 THR A 375 -11.811 0.931 7.669 1.00 0.39 H new ATOM 0 HG21 THR A 375 -13.301 1.885 6.056 1.00 0.31 H new ATOM 0 HG22 THR A 375 -13.735 3.598 6.266 1.00 0.31 H new ATOM 0 HG23 THR A 375 -12.110 3.156 5.691 1.00 0.31 H new ATOM 601 N PRO A 376 -9.956 5.474 8.343 1.00 0.28 N ATOM 602 CA PRO A 376 -8.703 6.127 7.998 1.00 0.26 C ATOM 603 C PRO A 376 -7.493 5.238 7.999 1.00 0.26 C ATOM 604 O PRO A 376 -7.449 4.194 8.657 1.00 0.38 O ATOM 605 CB PRO A 376 -8.587 7.179 9.092 1.00 0.29 C ATOM 606 CG PRO A 376 -9.972 7.460 9.433 1.00 0.32 C ATOM 607 CD PRO A 376 -10.586 6.120 9.471 1.00 0.32 C ATOM 0 HA PRO A 376 -8.725 6.501 6.975 1.00 0.26 H new ATOM 0 HB2 PRO A 376 -8.029 6.806 9.951 1.00 0.29 H new ATOM 0 HB3 PRO A 376 -8.070 8.072 8.739 1.00 0.29 H new ATOM 0 HG2 PRO A 376 -10.055 7.969 10.393 1.00 0.32 H new ATOM 0 HG3 PRO A 376 -10.448 8.101 8.690 1.00 0.32 H new ATOM 0 HD2 PRO A 376 -10.379 5.602 10.407 1.00 0.32 H new ATOM 0 HD3 PRO A 376 -11.670 6.164 9.364 1.00 0.32 H new ATOM 615 N THR A 377 -6.500 5.676 7.262 1.00 0.17 N ATOM 616 CA THR A 377 -5.242 5.048 7.264 1.00 0.21 C ATOM 617 C THR A 377 -4.442 5.563 8.472 1.00 0.17 C ATOM 618 O THR A 377 -4.400 6.767 8.728 1.00 0.21 O ATOM 619 CB THR A 377 -4.543 5.342 5.927 1.00 0.33 C ATOM 620 OG1 THR A 377 -4.994 4.432 4.916 1.00 0.82 O ATOM 621 CG2 THR A 377 -3.055 5.270 6.067 1.00 0.22 C ATOM 0 H THR A 377 -6.564 6.486 6.646 1.00 0.17 H new ATOM 0 HA THR A 377 -5.331 3.966 7.359 1.00 0.21 H new ATOM 0 HB THR A 377 -4.804 6.357 5.628 1.00 0.33 H new ATOM 0 HG1 THR A 377 -5.490 3.697 5.335 1.00 0.82 H new ATOM 0 HG21 THR A 377 -2.588 5.482 5.105 1.00 0.22 H new ATOM 0 HG22 THR A 377 -2.723 6.004 6.801 1.00 0.22 H new ATOM 0 HG23 THR A 377 -2.768 4.271 6.397 1.00 0.22 H new ATOM 629 N PRO A 378 -3.834 4.648 9.252 1.00 0.14 N ATOM 630 CA PRO A 378 -3.187 4.966 10.536 1.00 0.15 C ATOM 631 C PRO A 378 -1.889 5.726 10.354 1.00 0.13 C ATOM 632 O PRO A 378 -1.640 6.723 11.027 1.00 0.16 O ATOM 633 CB PRO A 378 -2.876 3.571 11.103 1.00 0.17 C ATOM 634 CG PRO A 378 -3.736 2.649 10.326 1.00 0.19 C ATOM 635 CD PRO A 378 -3.696 3.219 8.961 1.00 0.17 C ATOM 0 HA PRO A 378 -3.814 5.595 11.167 1.00 0.15 H new ATOM 0 HB2 PRO A 378 -1.821 3.322 10.986 1.00 0.17 H new ATOM 0 HB3 PRO A 378 -3.100 3.518 12.168 1.00 0.17 H new ATOM 0 HG2 PRO A 378 -3.354 1.628 10.347 1.00 0.19 H new ATOM 0 HG3 PRO A 378 -4.752 2.618 10.720 1.00 0.19 H new ATOM 0 HD2 PRO A 378 -2.763 2.991 8.446 1.00 0.17 H new ATOM 0 HD3 PRO A 378 -4.506 2.846 8.334 1.00 0.17 H new ATOM 643 N ALA A 379 -1.090 5.240 9.426 1.00 0.11 N ATOM 644 CA ALA A 379 0.256 5.728 9.190 1.00 0.10 C ATOM 645 C ALA A 379 1.181 5.584 10.391 1.00 0.10 C ATOM 646 O ALA A 379 0.817 5.780 11.553 1.00 0.13 O ATOM 647 CB ALA A 379 0.261 7.141 8.650 1.00 0.11 C ATOM 0 H ALA A 379 -1.362 4.480 8.802 1.00 0.11 H new ATOM 0 HA ALA A 379 0.667 5.076 8.419 1.00 0.10 H new ATOM 0 HB1 ALA A 379 1.289 7.465 8.488 1.00 0.11 H new ATOM 0 HB2 ALA A 379 -0.282 7.171 7.705 1.00 0.11 H new ATOM 0 HB3 ALA A 379 -0.221 7.806 9.367 1.00 0.11 H new ATOM 653 N GLY A 380 2.392 5.229 10.046 1.00 0.10 N ATOM 654 CA GLY A 380 3.445 4.977 10.988 1.00 0.11 C ATOM 655 C GLY A 380 4.387 3.952 10.422 1.00 0.12 C ATOM 656 O GLY A 380 5.085 4.217 9.449 1.00 0.20 O ATOM 0 H GLY A 380 2.678 5.105 9.075 1.00 0.10 H new ATOM 0 HA2 GLY A 380 3.982 5.900 11.205 1.00 0.11 H new ATOM 0 HA3 GLY A 380 3.028 4.622 11.930 1.00 0.11 H new ATOM 660 N VAL A 381 4.374 2.772 11.006 1.00 0.12 N ATOM 661 CA VAL A 381 5.136 1.662 10.487 1.00 0.13 C ATOM 662 C VAL A 381 4.242 0.427 10.364 1.00 0.15 C ATOM 663 O VAL A 381 3.570 0.015 11.315 1.00 0.25 O ATOM 664 CB VAL A 381 6.347 1.372 11.392 1.00 0.17 C ATOM 665 CG1 VAL A 381 5.945 0.651 12.669 1.00 0.79 C ATOM 666 CG2 VAL A 381 7.417 0.592 10.637 1.00 0.82 C ATOM 0 H VAL A 381 3.838 2.559 11.847 1.00 0.12 H new ATOM 0 HA VAL A 381 5.508 1.921 9.496 1.00 0.13 H new ATOM 0 HB VAL A 381 6.768 2.334 11.686 1.00 0.17 H new ATOM 0 HG11 VAL A 381 6.831 0.467 13.277 1.00 0.79 H new ATOM 0 HG12 VAL A 381 5.242 1.268 13.229 1.00 0.79 H new ATOM 0 HG13 VAL A 381 5.474 -0.299 12.417 1.00 0.79 H new ATOM 0 HG21 VAL A 381 8.262 0.400 11.298 1.00 0.82 H new ATOM 0 HG22 VAL A 381 7.002 -0.356 10.294 1.00 0.82 H new ATOM 0 HG23 VAL A 381 7.753 1.173 9.778 1.00 0.82 H new ATOM 676 N PHE A 382 4.168 -0.108 9.169 1.00 0.09 N ATOM 677 CA PHE A 382 3.533 -1.383 8.943 1.00 0.09 C ATOM 678 C PHE A 382 4.601 -2.302 8.347 1.00 0.09 C ATOM 679 O PHE A 382 5.768 -1.918 8.304 1.00 0.10 O ATOM 680 CB PHE A 382 2.279 -1.271 8.057 1.00 0.10 C ATOM 681 CG PHE A 382 1.401 -0.073 8.342 1.00 0.11 C ATOM 682 CD1 PHE A 382 1.075 0.284 9.642 1.00 0.18 C ATOM 683 CD2 PHE A 382 0.914 0.715 7.302 1.00 0.12 C ATOM 684 CE1 PHE A 382 0.289 1.391 9.898 1.00 0.22 C ATOM 685 CE2 PHE A 382 0.133 1.815 7.559 1.00 0.15 C ATOM 686 CZ PHE A 382 -0.181 2.154 8.855 1.00 0.18 C ATOM 0 H PHE A 382 4.546 0.328 8.328 1.00 0.09 H new ATOM 0 HA PHE A 382 3.158 -1.796 9.880 1.00 0.09 H new ATOM 0 HB2 PHE A 382 2.592 -1.233 7.014 1.00 0.10 H new ATOM 0 HB3 PHE A 382 1.684 -2.176 8.179 1.00 0.10 H new ATOM 0 HD1 PHE A 382 1.441 -0.312 10.465 1.00 0.18 H new ATOM 0 HD2 PHE A 382 1.154 0.458 6.281 1.00 0.12 H new ATOM 0 HE1 PHE A 382 0.044 1.657 10.916 1.00 0.22 H new ATOM 0 HE2 PHE A 382 -0.236 2.416 6.741 1.00 0.15 H new ATOM 0 HZ PHE A 382 -0.796 3.019 9.053 1.00 0.18 H new ATOM 696 N TYR A 383 4.277 -3.504 7.917 1.00 0.11 N ATOM 697 CA TYR A 383 5.347 -4.420 7.537 1.00 0.11 C ATOM 698 C TYR A 383 4.995 -5.310 6.351 1.00 0.11 C ATOM 699 O TYR A 383 3.968 -5.979 6.352 1.00 0.13 O ATOM 700 CB TYR A 383 5.642 -5.281 8.744 1.00 0.13 C ATOM 701 CG TYR A 383 7.027 -5.847 8.764 1.00 0.21 C ATOM 702 CD1 TYR A 383 8.110 -5.039 9.056 1.00 0.25 C ATOM 703 CD2 TYR A 383 7.244 -7.188 8.515 1.00 0.37 C ATOM 704 CE1 TYR A 383 9.382 -5.556 9.107 1.00 0.39 C ATOM 705 CE2 TYR A 383 8.503 -7.724 8.553 1.00 0.49 C ATOM 706 CZ TYR A 383 9.578 -6.906 8.854 1.00 0.50 C ATOM 707 OH TYR A 383 10.841 -7.438 8.936 1.00 0.65 O ATOM 0 H TYR A 383 3.327 -3.864 7.822 1.00 0.11 H new ATOM 0 HA TYR A 383 6.209 -3.831 7.223 1.00 0.11 H new ATOM 0 HB2 TYR A 383 5.490 -4.688 9.646 1.00 0.13 H new ATOM 0 HB3 TYR A 383 4.925 -6.101 8.776 1.00 0.13 H new ATOM 0 HD1 TYR A 383 7.954 -3.987 9.247 1.00 0.25 H new ATOM 0 HD2 TYR A 383 6.404 -7.826 8.286 1.00 0.37 H new ATOM 0 HE1 TYR A 383 10.221 -4.918 9.342 1.00 0.39 H new ATOM 0 HE2 TYR A 383 8.656 -8.774 8.350 1.00 0.49 H new ATOM 0 HH TYR A 383 11.330 -7.248 8.108 1.00 0.65 H new ATOM 717 N VAL A 384 5.862 -5.315 5.332 1.00 0.09 N ATOM 718 CA VAL A 384 5.721 -6.260 4.235 1.00 0.09 C ATOM 719 C VAL A 384 6.493 -7.520 4.538 1.00 0.13 C ATOM 720 O VAL A 384 7.689 -7.657 4.264 1.00 0.16 O ATOM 721 CB VAL A 384 6.113 -5.706 2.845 1.00 0.07 C ATOM 722 CG1 VAL A 384 7.398 -4.933 2.894 1.00 0.07 C ATOM 723 CG2 VAL A 384 6.224 -6.829 1.814 1.00 0.08 C ATOM 0 H VAL A 384 6.657 -4.681 5.250 1.00 0.09 H new ATOM 0 HA VAL A 384 4.654 -6.473 4.165 1.00 0.09 H new ATOM 0 HB VAL A 384 5.317 -5.026 2.543 1.00 0.07 H new ATOM 0 HG11 VAL A 384 7.637 -4.561 1.898 1.00 0.07 H new ATOM 0 HG12 VAL A 384 7.291 -4.092 3.579 1.00 0.07 H new ATOM 0 HG13 VAL A 384 8.201 -5.583 3.241 1.00 0.07 H new ATOM 0 HG21 VAL A 384 6.501 -6.409 0.847 1.00 0.08 H new ATOM 0 HG22 VAL A 384 6.986 -7.541 2.132 1.00 0.08 H new ATOM 0 HG23 VAL A 384 5.265 -7.339 1.727 1.00 0.08 H new ATOM 733 N TRP A 385 5.771 -8.440 5.114 1.00 0.18 N ATOM 734 CA TRP A 385 6.302 -9.742 5.438 1.00 0.23 C ATOM 735 C TRP A 385 6.446 -10.528 4.144 1.00 0.12 C ATOM 736 O TRP A 385 7.044 -11.600 4.119 1.00 0.21 O ATOM 737 CB TRP A 385 5.357 -10.479 6.384 1.00 0.48 C ATOM 738 CG TRP A 385 5.097 -9.789 7.688 1.00 0.45 C ATOM 739 CD1 TRP A 385 4.263 -8.729 7.922 1.00 0.57 C ATOM 740 CD2 TRP A 385 5.659 -10.142 8.954 1.00 1.08 C ATOM 741 NE1 TRP A 385 4.284 -8.403 9.251 1.00 1.17 N ATOM 742 CE2 TRP A 385 5.131 -9.254 9.904 1.00 1.54 C ATOM 743 CE3 TRP A 385 6.562 -11.121 9.376 1.00 1.37 C ATOM 744 CZ2 TRP A 385 5.471 -9.313 11.245 1.00 2.27 C ATOM 745 CZ3 TRP A 385 6.901 -11.179 10.714 1.00 2.11 C ATOM 746 CH2 TRP A 385 6.355 -10.278 11.635 1.00 2.55 C ATOM 0 H TRP A 385 4.793 -8.311 5.375 1.00 0.18 H new ATOM 0 HA TRP A 385 7.268 -9.637 5.932 1.00 0.23 H new ATOM 0 HB2 TRP A 385 4.405 -10.632 5.875 1.00 0.48 H new ATOM 0 HB3 TRP A 385 5.771 -11.466 6.589 1.00 0.48 H new ATOM 0 HD1 TRP A 385 3.675 -8.225 7.169 1.00 0.57 H new ATOM 0 HE1 TRP A 385 3.753 -7.647 9.684 1.00 1.17 H new ATOM 0 HE3 TRP A 385 6.987 -11.819 8.670 1.00 1.37 H new ATOM 0 HZ2 TRP A 385 5.051 -8.619 11.958 1.00 2.27 H new ATOM 0 HZ3 TRP A 385 7.598 -11.931 11.054 1.00 2.11 H new ATOM 0 HH2 TRP A 385 6.638 -10.347 12.675 1.00 2.55 H new ATOM 757 N ASN A 386 5.868 -9.985 3.071 1.00 0.10 N ATOM 758 CA ASN A 386 5.846 -10.666 1.787 1.00 0.14 C ATOM 759 C ASN A 386 5.356 -9.760 0.667 1.00 0.11 C ATOM 760 O ASN A 386 4.343 -9.088 0.810 1.00 0.12 O ATOM 761 CB ASN A 386 4.981 -11.931 1.850 1.00 0.27 C ATOM 762 CG ASN A 386 4.752 -12.554 0.487 1.00 0.33 C ATOM 763 OD1 ASN A 386 5.552 -13.363 0.019 1.00 0.43 O ATOM 764 ND2 ASN A 386 3.652 -12.186 -0.151 1.00 0.31 N ATOM 0 H ASN A 386 5.410 -9.074 3.072 1.00 0.10 H new ATOM 0 HA ASN A 386 6.875 -10.949 1.564 1.00 0.14 H new ATOM 0 HB2 ASN A 386 5.460 -12.661 2.502 1.00 0.27 H new ATOM 0 HB3 ASN A 386 4.018 -11.686 2.299 1.00 0.27 H new ATOM 0 HD21 ASN A 386 3.440 -12.577 -1.069 1.00 0.31 H new ATOM 0 HD22 ASN A 386 3.017 -11.512 0.275 1.00 0.31 H new ATOM 771 N LYS A 387 6.077 -9.764 -0.440 1.00 0.11 N ATOM 772 CA LYS A 387 5.629 -9.097 -1.656 1.00 0.09 C ATOM 773 C LYS A 387 4.871 -10.067 -2.546 1.00 0.08 C ATOM 774 O LYS A 387 5.084 -11.280 -2.486 1.00 0.13 O ATOM 775 CB LYS A 387 6.789 -8.481 -2.444 1.00 0.13 C ATOM 776 CG LYS A 387 7.829 -9.449 -2.973 1.00 0.38 C ATOM 777 CD LYS A 387 8.593 -10.083 -1.859 1.00 0.20 C ATOM 778 CE LYS A 387 9.992 -10.428 -2.278 1.00 0.40 C ATOM 779 NZ LYS A 387 10.023 -11.295 -3.484 1.00 1.12 N1+ ATOM 0 H LYS A 387 6.983 -10.225 -0.525 1.00 0.11 H new ATOM 0 HA LYS A 387 4.969 -8.287 -1.346 1.00 0.09 H new ATOM 0 HB2 LYS A 387 6.375 -7.929 -3.288 1.00 0.13 H new ATOM 0 HB3 LYS A 387 7.291 -7.756 -1.804 1.00 0.13 H new ATOM 0 HG2 LYS A 387 7.341 -10.221 -3.568 1.00 0.38 H new ATOM 0 HG3 LYS A 387 8.516 -8.922 -3.635 1.00 0.38 H new ATOM 0 HD2 LYS A 387 8.624 -9.405 -1.006 1.00 0.20 H new ATOM 0 HD3 LYS A 387 8.078 -10.985 -1.530 1.00 0.20 H new ATOM 0 HE2 LYS A 387 10.545 -9.511 -2.479 1.00 0.40 H new ATOM 0 HE3 LYS A 387 10.500 -10.934 -1.457 1.00 0.40 H new ATOM 0 HZ1 LYS A 387 10.991 -11.644 -3.636 1.00 1.12 H new ATOM 0 HZ2 LYS A 387 9.381 -12.102 -3.348 1.00 1.12 H new ATOM 0 HZ3 LYS A 387 9.719 -10.747 -4.314 1.00 1.12 H new ATOM 793 N GLU A 388 3.994 -9.535 -3.381 1.00 0.09 N ATOM 794 CA GLU A 388 3.094 -10.382 -4.140 1.00 0.10 C ATOM 795 C GLU A 388 3.000 -10.056 -5.616 1.00 0.10 C ATOM 796 O GLU A 388 3.298 -8.954 -6.061 1.00 0.10 O ATOM 797 CB GLU A 388 1.717 -10.280 -3.532 1.00 0.09 C ATOM 798 CG GLU A 388 1.492 -11.242 -2.439 1.00 0.15 C ATOM 799 CD GLU A 388 1.605 -12.687 -2.882 1.00 0.38 C ATOM 800 OE1 GLU A 388 0.793 -13.120 -3.729 1.00 0.69 O ATOM 801 OE2 GLU A 388 2.500 -13.401 -2.384 1.00 0.71 O1- ATOM 0 H GLU A 388 3.887 -8.534 -3.548 1.00 0.09 H new ATOM 0 HA GLU A 388 3.506 -11.390 -4.084 1.00 0.10 H new ATOM 0 HB2 GLU A 388 1.568 -9.269 -3.154 1.00 0.09 H new ATOM 0 HB3 GLU A 388 0.971 -10.442 -4.310 1.00 0.09 H new ATOM 0 HG2 GLU A 388 2.215 -11.055 -1.645 1.00 0.15 H new ATOM 0 HG3 GLU A 388 0.502 -11.075 -2.015 1.00 0.15 H new ATOM 808 N GLU A 389 2.572 -11.074 -6.339 1.00 0.10 N ATOM 809 CA GLU A 389 2.265 -11.012 -7.745 1.00 0.11 C ATOM 810 C GLU A 389 1.003 -11.793 -7.991 1.00 0.16 C ATOM 811 O GLU A 389 0.910 -12.964 -7.610 1.00 0.28 O ATOM 812 CB GLU A 389 3.362 -11.611 -8.593 1.00 0.14 C ATOM 813 CG GLU A 389 4.562 -10.730 -8.744 1.00 0.16 C ATOM 814 CD GLU A 389 5.616 -11.359 -9.631 1.00 0.27 C ATOM 815 OE1 GLU A 389 6.108 -12.452 -9.288 1.00 0.33 O1- ATOM 816 OE2 GLU A 389 5.973 -10.754 -10.664 1.00 0.38 O ATOM 0 H GLU A 389 2.425 -12.002 -5.941 1.00 0.10 H new ATOM 0 HA GLU A 389 2.155 -9.963 -8.020 1.00 0.11 H new ATOM 0 HB2 GLU A 389 3.672 -12.558 -8.152 1.00 0.14 H new ATOM 0 HB3 GLU A 389 2.962 -11.836 -9.582 1.00 0.14 H new ATOM 0 HG2 GLU A 389 4.258 -9.772 -9.165 1.00 0.16 H new ATOM 0 HG3 GLU A 389 4.989 -10.526 -7.762 1.00 0.16 H new ATOM 823 N ASP A 390 0.054 -11.146 -8.631 1.00 0.12 N ATOM 824 CA ASP A 390 -1.260 -11.717 -8.855 1.00 0.15 C ATOM 825 C ASP A 390 -1.833 -12.196 -7.523 1.00 0.16 C ATOM 826 O ASP A 390 -2.284 -13.327 -7.348 1.00 0.25 O ATOM 827 CB ASP A 390 -1.164 -12.820 -9.896 1.00 0.19 C ATOM 828 CG ASP A 390 -2.487 -13.525 -10.147 1.00 0.28 C ATOM 829 OD1 ASP A 390 -3.504 -12.834 -10.387 1.00 0.41 O ATOM 830 OD2 ASP A 390 -2.516 -14.775 -10.121 1.00 0.36 O1- ATOM 0 H ASP A 390 0.170 -10.207 -9.012 1.00 0.12 H new ATOM 0 HA ASP A 390 -1.948 -10.970 -9.251 1.00 0.15 H new ATOM 0 HB2 ASP A 390 -0.803 -12.396 -10.833 1.00 0.19 H new ATOM 0 HB3 ASP A 390 -0.425 -13.553 -9.572 1.00 0.19 H new ATOM 835 N ALA A 391 -1.747 -11.282 -6.574 1.00 0.12 N ATOM 836 CA ALA A 391 -2.303 -11.438 -5.251 1.00 0.11 C ATOM 837 C ALA A 391 -3.775 -11.151 -5.314 1.00 0.10 C ATOM 838 O ALA A 391 -4.271 -10.671 -6.320 1.00 0.11 O ATOM 839 CB ALA A 391 -1.653 -10.443 -4.333 1.00 0.10 C ATOM 0 H ALA A 391 -1.275 -10.388 -6.710 1.00 0.12 H new ATOM 0 HA ALA A 391 -2.132 -12.451 -4.886 1.00 0.11 H new ATOM 0 HB1 ALA A 391 -2.065 -10.551 -3.330 1.00 0.10 H new ATOM 0 HB2 ALA A 391 -0.578 -10.622 -4.305 1.00 0.10 H new ATOM 0 HB3 ALA A 391 -1.844 -9.433 -4.697 1.00 0.10 H new ATOM 845 N THR A 392 -4.492 -11.463 -4.276 1.00 0.11 N ATOM 846 CA THR A 392 -5.861 -11.026 -4.205 1.00 0.11 C ATOM 847 C THR A 392 -6.188 -10.425 -2.862 1.00 0.11 C ATOM 848 O THR A 392 -6.085 -11.065 -1.815 1.00 0.14 O ATOM 849 CB THR A 392 -6.858 -12.136 -4.555 1.00 0.15 C ATOM 850 OG1 THR A 392 -6.468 -12.780 -5.776 1.00 0.17 O ATOM 851 CG2 THR A 392 -8.249 -11.551 -4.716 1.00 0.15 C ATOM 0 H THR A 392 -4.164 -12.008 -3.479 1.00 0.11 H new ATOM 0 HA THR A 392 -5.965 -10.249 -4.962 1.00 0.11 H new ATOM 0 HB THR A 392 -6.864 -12.868 -3.747 1.00 0.15 H new ATOM 0 HG1 THR A 392 -7.110 -13.489 -5.991 1.00 0.17 H new ATOM 0 HG21 THR A 392 -8.952 -12.346 -4.965 1.00 0.15 H new ATOM 0 HG22 THR A 392 -8.554 -11.076 -3.784 1.00 0.15 H new ATOM 0 HG23 THR A 392 -8.242 -10.810 -5.515 1.00 0.15 H new ATOM 859 N LEU A 393 -6.573 -9.179 -2.928 1.00 0.10 N ATOM 860 CA LEU A 393 -6.936 -8.406 -1.758 1.00 0.12 C ATOM 861 C LEU A 393 -8.327 -8.715 -1.289 1.00 0.15 C ATOM 862 O LEU A 393 -9.305 -8.094 -1.687 1.00 0.16 O ATOM 863 CB LEU A 393 -6.817 -6.951 -2.101 1.00 0.11 C ATOM 864 CG LEU A 393 -5.432 -6.342 -2.006 1.00 0.25 C ATOM 865 CD1 LEU A 393 -4.403 -7.301 -2.531 1.00 0.57 C ATOM 866 CD2 LEU A 393 -5.396 -5.086 -2.825 1.00 0.51 C ATOM 0 H LEU A 393 -6.646 -8.661 -3.803 1.00 0.10 H new ATOM 0 HA LEU A 393 -6.262 -8.666 -0.942 1.00 0.12 H new ATOM 0 HB2 LEU A 393 -7.182 -6.810 -3.118 1.00 0.11 H new ATOM 0 HB3 LEU A 393 -7.481 -6.391 -1.443 1.00 0.11 H new ATOM 0 HG LEU A 393 -5.210 -6.121 -0.962 1.00 0.25 H new ATOM 0 HD11 LEU A 393 -3.414 -6.850 -2.456 1.00 0.57 H new ATOM 0 HD12 LEU A 393 -4.428 -8.219 -1.944 1.00 0.57 H new ATOM 0 HD13 LEU A 393 -4.619 -7.531 -3.574 1.00 0.57 H new ATOM 0 HD21 LEU A 393 -4.403 -4.640 -2.763 1.00 0.51 H new ATOM 0 HD22 LEU A 393 -5.624 -5.323 -3.864 1.00 0.51 H new ATOM 0 HD23 LEU A 393 -6.135 -4.381 -2.443 1.00 0.51 H new ATOM 878 N LYS A 394 -8.384 -9.690 -0.453 1.00 0.18 N ATOM 879 CA LYS A 394 -9.614 -10.135 0.136 1.00 0.23 C ATOM 880 C LYS A 394 -9.793 -9.685 1.552 1.00 0.29 C ATOM 881 O LYS A 394 -8.950 -8.985 2.123 1.00 0.29 O ATOM 882 CB LYS A 394 -9.576 -11.598 0.075 1.00 0.25 C ATOM 883 CG LYS A 394 -9.556 -12.034 -1.313 1.00 0.23 C ATOM 884 CD LYS A 394 -10.000 -13.399 -1.376 1.00 0.27 C ATOM 885 CE LYS A 394 -9.344 -13.972 -2.552 1.00 0.27 C ATOM 886 NZ LYS A 394 -9.560 -15.433 -2.703 1.00 0.33 N1+ ATOM 0 H LYS A 394 -7.565 -10.217 -0.148 1.00 0.18 H new ATOM 0 HA LYS A 394 -10.456 -9.707 -0.408 1.00 0.23 H new ATOM 0 HB2 LYS A 394 -8.693 -11.970 0.595 1.00 0.25 H new ATOM 0 HB3 LYS A 394 -10.445 -12.015 0.584 1.00 0.25 H new ATOM 0 HG2 LYS A 394 -10.203 -11.398 -1.918 1.00 0.23 H new ATOM 0 HG3 LYS A 394 -8.550 -11.945 -1.722 1.00 0.23 H new ATOM 0 HD2 LYS A 394 -9.727 -13.942 -0.471 1.00 0.27 H new ATOM 0 HD3 LYS A 394 -11.085 -13.455 -1.466 1.00 0.27 H new ATOM 0 HE2 LYS A 394 -9.711 -13.465 -3.445 1.00 0.27 H new ATOM 0 HE3 LYS A 394 -8.273 -13.776 -2.491 1.00 0.27 H new ATOM 0 HZ1 LYS A 394 -9.068 -15.770 -3.555 1.00 0.33 H new ATOM 0 HZ2 LYS A 394 -9.186 -15.927 -1.868 1.00 0.33 H new ATOM 0 HZ3 LYS A 394 -10.578 -15.626 -2.792 1.00 0.33 H new ATOM 1015 N GLU A 404 -12.990 -8.976 -2.666 1.00 0.25 N ATOM 1016 CA GLU A 404 -11.739 -9.372 -3.266 1.00 0.21 C ATOM 1017 C GLU A 404 -11.261 -8.298 -4.214 1.00 0.20 C ATOM 1018 O GLU A 404 -12.057 -7.578 -4.811 1.00 0.23 O ATOM 1019 CB GLU A 404 -11.884 -10.665 -4.051 1.00 0.22 C ATOM 1020 CG GLU A 404 -12.078 -11.892 -3.189 1.00 0.24 C ATOM 1021 CD GLU A 404 -13.397 -12.580 -3.441 1.00 0.31 C ATOM 1022 OE1 GLU A 404 -13.484 -13.361 -4.409 1.00 0.39 O1- ATOM 1023 OE2 GLU A 404 -14.354 -12.344 -2.678 1.00 0.53 O ATOM 0 HA GLU A 404 -11.023 -9.521 -2.458 1.00 0.21 H new ATOM 0 HB2 GLU A 404 -12.732 -10.573 -4.729 1.00 0.22 H new ATOM 0 HB3 GLU A 404 -10.996 -10.804 -4.668 1.00 0.22 H new ATOM 0 HG2 GLU A 404 -11.265 -12.594 -3.376 1.00 0.24 H new ATOM 0 HG3 GLU A 404 -12.017 -11.606 -2.139 1.00 0.24 H new ATOM 1030 N SER A 405 -9.960 -8.170 -4.319 1.00 0.16 N ATOM 1031 CA SER A 405 -9.369 -7.345 -5.335 1.00 0.15 C ATOM 1032 C SER A 405 -8.103 -8.005 -5.785 1.00 0.13 C ATOM 1033 O SER A 405 -7.060 -7.875 -5.145 1.00 0.11 O ATOM 1034 CB SER A 405 -9.030 -5.962 -4.806 1.00 0.15 C ATOM 1035 OG SER A 405 -9.893 -5.583 -3.745 1.00 0.19 O ATOM 0 H SER A 405 -9.289 -8.633 -3.706 1.00 0.16 H new ATOM 0 HA SER A 405 -10.081 -7.231 -6.153 1.00 0.15 H new ATOM 0 HB2 SER A 405 -7.997 -5.948 -4.458 1.00 0.15 H new ATOM 0 HB3 SER A 405 -9.104 -5.234 -5.614 1.00 0.15 H new ATOM 0 HG SER A 405 -9.647 -4.689 -3.427 1.00 0.19 H new ATOM 1041 N PRO A 406 -8.174 -8.738 -6.880 1.00 0.15 N ATOM 1042 CA PRO A 406 -7.033 -9.425 -7.407 1.00 0.14 C ATOM 1043 C PRO A 406 -6.043 -8.430 -7.923 1.00 0.13 C ATOM 1044 O PRO A 406 -6.246 -7.764 -8.940 1.00 0.17 O ATOM 1045 CB PRO A 406 -7.609 -10.327 -8.496 1.00 0.18 C ATOM 1046 CG PRO A 406 -9.062 -10.339 -8.208 1.00 0.19 C ATOM 1047 CD PRO A 406 -9.360 -8.981 -7.678 1.00 0.18 C ATOM 0 HA PRO A 406 -6.487 -10.016 -6.671 1.00 0.14 H new ATOM 0 HB2 PRO A 406 -7.401 -9.936 -9.492 1.00 0.18 H new ATOM 0 HB3 PRO A 406 -7.184 -11.330 -8.452 1.00 0.18 H new ATOM 0 HG2 PRO A 406 -9.641 -10.548 -9.108 1.00 0.19 H new ATOM 0 HG3 PRO A 406 -9.314 -11.111 -7.481 1.00 0.19 H new ATOM 0 HD2 PRO A 406 -9.482 -8.245 -8.472 1.00 0.18 H new ATOM 0 HD3 PRO A 406 -10.272 -8.961 -7.081 1.00 0.18 H new ATOM 1055 N VAL A 407 -4.975 -8.354 -7.191 1.00 0.10 N ATOM 1056 CA VAL A 407 -4.007 -7.329 -7.324 1.00 0.09 C ATOM 1057 C VAL A 407 -2.781 -7.944 -7.960 1.00 0.11 C ATOM 1058 O VAL A 407 -2.600 -9.154 -7.920 1.00 0.15 O ATOM 1059 CB VAL A 407 -3.752 -6.779 -5.907 1.00 0.08 C ATOM 1060 CG1 VAL A 407 -2.481 -7.242 -5.286 1.00 0.07 C ATOM 1061 CG2 VAL A 407 -3.924 -5.293 -5.810 1.00 0.08 C ATOM 0 H VAL A 407 -4.753 -9.031 -6.461 1.00 0.10 H new ATOM 0 HA VAL A 407 -4.321 -6.500 -7.959 1.00 0.09 H new ATOM 0 HB VAL A 407 -4.543 -7.225 -5.304 1.00 0.08 H new ATOM 0 HG11 VAL A 407 -2.382 -6.807 -4.291 1.00 0.07 H new ATOM 0 HG12 VAL A 407 -2.489 -8.329 -5.207 1.00 0.07 H new ATOM 0 HG13 VAL A 407 -1.639 -6.929 -5.904 1.00 0.07 H new ATOM 0 HG21 VAL A 407 -3.730 -4.970 -4.787 1.00 0.08 H new ATOM 0 HG22 VAL A 407 -3.223 -4.801 -6.485 1.00 0.08 H new ATOM 0 HG23 VAL A 407 -4.944 -5.026 -6.088 1.00 0.08 H new ATOM 1071 N ASN A 408 -1.972 -7.140 -8.583 1.00 0.11 N ATOM 1072 CA ASN A 408 -0.844 -7.654 -9.326 1.00 0.12 C ATOM 1073 C ASN A 408 0.334 -7.770 -8.407 1.00 0.10 C ATOM 1074 O ASN A 408 1.257 -8.532 -8.663 1.00 0.11 O ATOM 1075 CB ASN A 408 -0.542 -6.725 -10.484 1.00 0.15 C ATOM 1076 CG ASN A 408 -1.663 -6.724 -11.491 1.00 0.19 C ATOM 1077 OD1 ASN A 408 -1.626 -7.442 -12.491 1.00 0.51 O ATOM 1078 ND2 ASN A 408 -2.683 -5.940 -11.213 1.00 0.38 N ATOM 0 H ASN A 408 -2.066 -6.124 -8.596 1.00 0.11 H new ATOM 0 HA ASN A 408 -1.071 -8.641 -9.728 1.00 0.12 H new ATOM 0 HB2 ASN A 408 -0.385 -5.713 -10.110 1.00 0.15 H new ATOM 0 HB3 ASN A 408 0.385 -7.033 -10.968 1.00 0.15 H new ATOM 0 HD21 ASN A 408 -3.488 -5.910 -11.838 1.00 0.38 H new ATOM 0 HD22 ASN A 408 -2.668 -5.363 -10.372 1.00 0.38 H new ATOM 1085 N TYR A 409 0.267 -7.026 -7.315 1.00 0.08 N ATOM 1086 CA TYR A 409 1.388 -6.867 -6.404 1.00 0.06 C ATOM 1087 C TYR A 409 0.855 -6.426 -5.058 1.00 0.06 C ATOM 1088 O TYR A 409 0.140 -5.426 -4.963 1.00 0.06 O ATOM 1089 CB TYR A 409 2.419 -5.849 -6.925 1.00 0.06 C ATOM 1090 CG TYR A 409 2.938 -6.174 -8.305 1.00 0.08 C ATOM 1091 CD1 TYR A 409 3.992 -7.057 -8.497 1.00 0.11 C ATOM 1092 CD2 TYR A 409 2.329 -5.628 -9.420 1.00 0.13 C ATOM 1093 CE1 TYR A 409 4.420 -7.383 -9.772 1.00 0.17 C ATOM 1094 CE2 TYR A 409 2.749 -5.945 -10.691 1.00 0.18 C ATOM 1095 CZ TYR A 409 3.790 -6.824 -10.865 1.00 0.17 C ATOM 1096 OH TYR A 409 4.208 -7.140 -12.138 1.00 0.27 O ATOM 0 H TYR A 409 -0.569 -6.514 -7.035 1.00 0.08 H new ATOM 0 HA TYR A 409 1.903 -7.824 -6.318 1.00 0.06 H new ATOM 0 HB2 TYR A 409 1.965 -4.858 -6.940 1.00 0.06 H new ATOM 0 HB3 TYR A 409 3.258 -5.805 -6.230 1.00 0.06 H new ATOM 0 HD1 TYR A 409 4.484 -7.495 -7.641 1.00 0.11 H new ATOM 0 HD2 TYR A 409 1.507 -4.939 -9.290 1.00 0.13 H new ATOM 0 HE1 TYR A 409 5.242 -8.070 -9.911 1.00 0.17 H new ATOM 0 HE2 TYR A 409 2.262 -5.505 -11.549 1.00 0.18 H new ATOM 0 HH TYR A 409 3.657 -6.661 -12.792 1.00 0.27 H new ATOM 1106 N TRP A 410 1.225 -7.150 -4.028 1.00 0.06 N ATOM 1107 CA TRP A 410 0.601 -7.020 -2.725 1.00 0.06 C ATOM 1108 C TRP A 410 1.611 -7.206 -1.624 1.00 0.06 C ATOM 1109 O TRP A 410 2.499 -8.043 -1.707 1.00 0.09 O ATOM 1110 CB TRP A 410 -0.487 -8.072 -2.645 1.00 0.07 C ATOM 1111 CG TRP A 410 -1.120 -8.271 -1.325 1.00 0.07 C ATOM 1112 CD1 TRP A 410 -1.249 -9.444 -0.704 1.00 0.08 C ATOM 1113 CD2 TRP A 410 -1.726 -7.291 -0.500 1.00 0.06 C ATOM 1114 NE1 TRP A 410 -1.939 -9.279 0.479 1.00 0.08 N ATOM 1115 CE2 TRP A 410 -2.241 -7.938 0.627 1.00 0.07 C ATOM 1116 CE3 TRP A 410 -1.877 -5.935 -0.628 1.00 0.06 C ATOM 1117 CZ2 TRP A 410 -2.920 -7.229 1.637 1.00 0.07 C ATOM 1118 CZ3 TRP A 410 -2.530 -5.229 0.344 1.00 0.07 C ATOM 1119 CH2 TRP A 410 -3.055 -5.870 1.473 1.00 0.07 C ATOM 0 H TRP A 410 1.968 -7.848 -4.066 1.00 0.06 H new ATOM 0 HA TRP A 410 0.180 -6.023 -2.599 1.00 0.06 H new ATOM 0 HB2 TRP A 410 -1.267 -7.811 -3.361 1.00 0.07 H new ATOM 0 HB3 TRP A 410 -0.065 -9.024 -2.967 1.00 0.07 H new ATOM 0 HD1 TRP A 410 -0.869 -10.385 -1.073 1.00 0.08 H new ATOM 0 HE1 TRP A 410 -2.185 -10.021 1.134 1.00 0.08 H new ATOM 0 HE3 TRP A 410 -1.481 -5.425 -1.494 1.00 0.06 H new ATOM 0 HZ2 TRP A 410 -3.319 -7.732 2.505 1.00 0.07 H new ATOM 0 HZ3 TRP A 410 -2.643 -4.160 0.239 1.00 0.07 H new ATOM 0 HH2 TRP A 410 -3.572 -5.291 2.224 1.00 0.07 H new ATOM 1130 N MET A 411 1.499 -6.385 -0.617 1.00 0.08 N ATOM 1131 CA MET A 411 2.327 -6.514 0.548 1.00 0.09 C ATOM 1132 C MET A 411 1.423 -6.684 1.759 1.00 0.12 C ATOM 1133 O MET A 411 0.953 -5.690 2.315 1.00 0.14 O ATOM 1134 CB MET A 411 3.197 -5.273 0.716 1.00 0.10 C ATOM 1135 CG MET A 411 3.881 -4.782 -0.554 1.00 0.09 C ATOM 1136 SD MET A 411 5.070 -5.954 -1.214 1.00 0.06 S ATOM 1137 CE MET A 411 5.924 -4.943 -2.416 1.00 0.06 C ATOM 0 H MET A 411 0.835 -5.612 -0.581 1.00 0.08 H new ATOM 0 HA MET A 411 2.983 -7.378 0.445 1.00 0.09 H new ATOM 0 HB2 MET A 411 2.579 -4.467 1.111 1.00 0.10 H new ATOM 0 HB3 MET A 411 3.962 -5.484 1.463 1.00 0.10 H new ATOM 0 HG2 MET A 411 3.124 -4.577 -1.311 1.00 0.09 H new ATOM 0 HG3 MET A 411 4.387 -3.839 -0.346 1.00 0.09 H new ATOM 0 HE1 MET A 411 6.979 -5.218 -2.439 1.00 0.06 H new ATOM 0 HE2 MET A 411 5.486 -5.102 -3.402 1.00 0.06 H new ATOM 0 HE3 MET A 411 5.828 -3.892 -2.141 1.00 0.06 H new ATOM 1147 N PRO A 412 1.108 -7.938 2.144 1.00 0.13 N ATOM 1148 CA PRO A 412 0.236 -8.215 3.283 1.00 0.19 C ATOM 1149 C PRO A 412 0.816 -7.728 4.604 1.00 0.25 C ATOM 1150 O PRO A 412 1.456 -8.482 5.343 1.00 0.50 O ATOM 1151 CB PRO A 412 0.082 -9.738 3.285 1.00 0.24 C ATOM 1152 CG PRO A 412 1.239 -10.242 2.493 1.00 0.23 C ATOM 1153 CD PRO A 412 1.547 -9.175 1.481 1.00 0.16 C ATOM 0 HA PRO A 412 -0.714 -7.689 3.186 1.00 0.19 H new ATOM 0 HB2 PRO A 412 0.095 -10.135 4.300 1.00 0.24 H new ATOM 0 HB3 PRO A 412 -0.865 -10.040 2.837 1.00 0.24 H new ATOM 0 HG2 PRO A 412 2.099 -10.430 3.136 1.00 0.23 H new ATOM 0 HG3 PRO A 412 0.995 -11.185 2.003 1.00 0.23 H new ATOM 0 HD2 PRO A 412 2.609 -9.146 1.239 1.00 0.16 H new ATOM 0 HD3 PRO A 412 1.012 -9.341 0.546 1.00 0.16 H new ATOM 1237 N VAL A 418 -4.211 -2.255 7.316 1.00 0.32 N ATOM 1238 CA VAL A 418 -3.676 -1.678 6.084 1.00 0.26 C ATOM 1239 C VAL A 418 -2.997 -2.733 5.203 1.00 0.24 C ATOM 1240 O VAL A 418 -2.817 -3.882 5.606 1.00 0.27 O ATOM 1241 CB VAL A 418 -2.646 -0.575 6.432 1.00 0.25 C ATOM 1242 CG1 VAL A 418 -2.162 0.193 5.196 1.00 0.75 C ATOM 1243 CG2 VAL A 418 -3.233 0.385 7.443 1.00 0.75 C ATOM 0 HA VAL A 418 -4.514 -1.259 5.527 1.00 0.26 H new ATOM 0 HB VAL A 418 -1.776 -1.074 6.859 1.00 0.25 H new ATOM 0 HG11 VAL A 418 -1.442 0.953 5.499 1.00 0.75 H new ATOM 0 HG12 VAL A 418 -1.688 -0.499 4.500 1.00 0.75 H new ATOM 0 HG13 VAL A 418 -3.012 0.671 4.709 1.00 0.75 H new ATOM 0 HG21 VAL A 418 -2.500 1.156 7.680 1.00 0.75 H new ATOM 0 HG22 VAL A 418 -4.127 0.850 7.027 1.00 0.75 H new ATOM 0 HG23 VAL A 418 -3.495 -0.158 8.351 1.00 0.75 H new ATOM 1253 N GLY A 419 -2.633 -2.328 3.999 1.00 0.20 N ATOM 1254 CA GLY A 419 -1.820 -3.138 3.138 1.00 0.18 C ATOM 1255 C GLY A 419 -1.532 -2.408 1.862 1.00 0.14 C ATOM 1256 O GLY A 419 -2.442 -1.998 1.155 1.00 0.15 O ATOM 0 H GLY A 419 -2.897 -1.427 3.600 1.00 0.20 H new ATOM 0 HA2 GLY A 419 -0.886 -3.391 3.640 1.00 0.18 H new ATOM 0 HA3 GLY A 419 -2.330 -4.077 2.921 1.00 0.18 H new ATOM 1260 N ILE A 420 -0.272 -2.235 1.575 1.00 0.10 N ATOM 1261 CA ILE A 420 0.123 -1.543 0.376 1.00 0.08 C ATOM 1262 C ILE A 420 0.067 -2.490 -0.812 1.00 0.08 C ATOM 1263 O ILE A 420 0.405 -3.672 -0.694 1.00 0.09 O ATOM 1264 CB ILE A 420 1.558 -1.000 0.494 1.00 0.07 C ATOM 1265 CG1 ILE A 420 1.615 0.296 1.309 1.00 0.08 C ATOM 1266 CG2 ILE A 420 2.153 -0.791 -0.881 1.00 0.08 C ATOM 1267 CD1 ILE A 420 1.738 0.084 2.800 1.00 0.29 C ATOM 0 H ILE A 420 0.501 -2.563 2.154 1.00 0.10 H new ATOM 0 HA ILE A 420 -0.566 -0.710 0.234 1.00 0.08 H new ATOM 0 HB ILE A 420 2.149 -1.744 1.028 1.00 0.07 H new ATOM 0 HG12 ILE A 420 2.462 0.891 0.967 1.00 0.08 H new ATOM 0 HG13 ILE A 420 0.715 0.878 1.109 1.00 0.08 H new ATOM 0 HG21 ILE A 420 3.168 -0.407 -0.784 1.00 0.08 H new ATOM 0 HG22 ILE A 420 2.174 -1.740 -1.416 1.00 0.08 H new ATOM 0 HG23 ILE A 420 1.546 -0.075 -1.435 1.00 0.08 H new ATOM 0 HD11 ILE A 420 1.772 1.050 3.303 1.00 0.29 H new ATOM 0 HD12 ILE A 420 0.879 -0.482 3.159 1.00 0.29 H new ATOM 0 HD13 ILE A 420 2.652 -0.469 3.015 1.00 0.29 H new ATOM 1279 N HIS A 421 -0.367 -1.970 -1.951 1.00 0.07 N ATOM 1280 CA HIS A 421 -0.563 -2.801 -3.127 1.00 0.06 C ATOM 1281 C HIS A 421 -0.579 -1.973 -4.393 1.00 0.07 C ATOM 1282 O HIS A 421 -0.803 -0.769 -4.352 1.00 0.08 O ATOM 1283 CB HIS A 421 -1.889 -3.519 -2.995 1.00 0.06 C ATOM 1284 CG HIS A 421 -3.080 -2.632 -2.956 1.00 0.07 C ATOM 1285 ND1 HIS A 421 -3.648 -2.031 -4.052 1.00 0.08 N ATOM 1286 CD2 HIS A 421 -3.817 -2.267 -1.894 1.00 0.07 C ATOM 1287 CE1 HIS A 421 -4.697 -1.326 -3.626 1.00 0.09 C ATOM 1288 NE2 HIS A 421 -4.847 -1.438 -2.319 1.00 0.08 N ATOM 0 H HIS A 421 -0.588 -0.983 -2.084 1.00 0.07 H new ATOM 0 HA HIS A 421 0.263 -3.509 -3.192 1.00 0.06 H new ATOM 0 HB2 HIS A 421 -1.996 -4.210 -3.831 1.00 0.06 H new ATOM 0 HB3 HIS A 421 -1.871 -4.119 -2.085 1.00 0.06 H new ATOM 0 HD1 HIS A 421 -3.326 -2.109 -5.017 1.00 0.08 H new ATOM 0 HD2 HIS A 421 -3.637 -2.570 -0.873 1.00 0.07 H new ATOM 0 HE1 HIS A 421 -5.340 -0.740 -4.266 1.00 0.09 H new ATOM 1296 N ASP A 422 -0.363 -2.638 -5.519 1.00 0.07 N ATOM 1297 CA ASP A 422 -0.531 -2.009 -6.810 1.00 0.07 C ATOM 1298 C ASP A 422 -2.014 -2.062 -7.168 1.00 0.11 C ATOM 1299 O ASP A 422 -2.722 -2.949 -6.731 1.00 0.20 O ATOM 1300 CB ASP A 422 0.303 -2.730 -7.871 1.00 0.09 C ATOM 1301 CG ASP A 422 -0.495 -3.762 -8.657 1.00 0.65 C ATOM 1302 OD1 ASP A 422 -0.986 -4.734 -8.047 1.00 1.07 O1- ATOM 1303 OD2 ASP A 422 -0.651 -3.591 -9.886 1.00 0.80 O ATOM 0 H ASP A 422 -0.071 -3.614 -5.559 1.00 0.07 H new ATOM 0 HA ASP A 422 -0.190 -0.974 -6.771 1.00 0.07 H new ATOM 0 HB2 ASP A 422 0.715 -1.995 -8.562 1.00 0.09 H new ATOM 0 HB3 ASP A 422 1.147 -3.223 -7.388 1.00 0.09 H new ATOM 1308 N SER A 423 -2.491 -1.094 -7.909 1.00 0.09 N ATOM 1309 CA SER A 423 -3.918 -0.985 -8.172 1.00 0.11 C ATOM 1310 C SER A 423 -4.153 -0.729 -9.631 1.00 0.14 C ATOM 1311 O SER A 423 -4.127 0.402 -10.098 1.00 0.17 O ATOM 1312 CB SER A 423 -4.541 0.131 -7.321 1.00 0.14 C ATOM 1313 OG SER A 423 -5.919 0.255 -7.585 1.00 0.23 O ATOM 0 H SER A 423 -1.921 -0.368 -8.343 1.00 0.09 H new ATOM 0 HA SER A 423 -4.396 -1.926 -7.900 1.00 0.11 H new ATOM 0 HB2 SER A 423 -4.387 -0.084 -6.263 1.00 0.14 H new ATOM 0 HB3 SER A 423 -4.040 1.076 -7.530 1.00 0.14 H new ATOM 0 HG SER A 423 -6.295 0.970 -7.031 1.00 0.23 H new ATOM 1319 N ASP A 424 -4.432 -1.804 -10.334 1.00 0.16 N ATOM 1320 CA ASP A 424 -4.607 -1.753 -11.767 1.00 0.21 C ATOM 1321 C ASP A 424 -6.010 -1.280 -12.095 1.00 0.24 C ATOM 1322 O ASP A 424 -6.326 -0.911 -13.226 1.00 0.27 O ATOM 1323 CB ASP A 424 -4.330 -3.128 -12.354 1.00 0.24 C ATOM 1324 CG ASP A 424 -4.735 -3.250 -13.809 1.00 0.32 C ATOM 1325 OD1 ASP A 424 -4.075 -2.630 -14.667 1.00 0.42 O1- ATOM 1326 OD2 ASP A 424 -5.724 -3.954 -14.098 1.00 0.37 O ATOM 0 H ASP A 424 -4.543 -2.734 -9.930 1.00 0.16 H new ATOM 0 HA ASP A 424 -3.905 -1.044 -12.207 1.00 0.21 H new ATOM 0 HB2 ASP A 424 -3.267 -3.348 -12.260 1.00 0.24 H new ATOM 0 HB3 ASP A 424 -4.864 -3.879 -11.771 1.00 0.24 H new ATOM 1386 N GLU A 428 -6.801 6.776 -10.903 1.00 0.31 N ATOM 1387 CA GLU A 428 -6.274 7.964 -10.306 1.00 0.22 C ATOM 1388 C GLU A 428 -5.313 7.680 -9.181 1.00 0.21 C ATOM 1389 O GLU A 428 -5.400 6.675 -8.479 1.00 0.29 O ATOM 1390 CB GLU A 428 -7.393 8.787 -9.725 1.00 0.34 C ATOM 1391 CG GLU A 428 -8.318 7.981 -8.870 1.00 1.11 C ATOM 1392 CD GLU A 428 -9.409 7.280 -9.642 1.00 1.56 C ATOM 1393 OE1 GLU A 428 -9.850 7.808 -10.680 1.00 1.48 O ATOM 1394 OE2 GLU A 428 -9.839 6.205 -9.194 1.00 2.16 O1- ATOM 0 HA GLU A 428 -5.747 8.490 -11.102 1.00 0.22 H new ATOM 0 HB2 GLU A 428 -6.972 9.599 -9.132 1.00 0.34 H new ATOM 0 HB3 GLU A 428 -7.960 9.245 -10.535 1.00 0.34 H new ATOM 0 HG2 GLU A 428 -7.737 7.237 -8.324 1.00 1.11 H new ATOM 0 HG3 GLU A 428 -8.775 8.636 -8.128 1.00 1.11 H new ATOM 1401 N TYR A 429 -4.401 8.616 -9.045 1.00 0.17 N ATOM 1402 CA TYR A 429 -3.502 8.720 -7.922 1.00 0.14 C ATOM 1403 C TYR A 429 -3.047 10.141 -7.896 1.00 0.17 C ATOM 1404 O TYR A 429 -2.586 10.672 -8.907 1.00 0.21 O ATOM 1405 CB TYR A 429 -2.256 7.844 -7.964 1.00 0.12 C ATOM 1406 CG TYR A 429 -2.461 6.469 -8.527 1.00 0.13 C ATOM 1407 CD1 TYR A 429 -2.684 6.285 -9.875 1.00 0.18 C ATOM 1408 CD2 TYR A 429 -2.426 5.352 -7.702 1.00 0.15 C ATOM 1409 CE1 TYR A 429 -2.873 5.024 -10.395 1.00 0.25 C ATOM 1410 CE2 TYR A 429 -2.611 4.090 -8.210 1.00 0.20 C ATOM 1411 CZ TYR A 429 -2.842 3.940 -9.574 1.00 0.25 C ATOM 1412 OH TYR A 429 -3.036 2.677 -10.060 1.00 0.33 O ATOM 0 H TYR A 429 -4.261 9.351 -9.739 1.00 0.17 H new ATOM 0 HA TYR A 429 -4.056 8.381 -7.047 1.00 0.14 H new ATOM 0 HB2 TYR A 429 -1.494 8.352 -8.556 1.00 0.12 H new ATOM 0 HB3 TYR A 429 -1.863 7.750 -6.952 1.00 0.12 H new ATOM 0 HD1 TYR A 429 -2.711 7.142 -10.532 1.00 0.18 H new ATOM 0 HD2 TYR A 429 -2.250 5.478 -6.644 1.00 0.15 H new ATOM 0 HE1 TYR A 429 -3.046 4.896 -11.453 1.00 0.25 H new ATOM 0 HE2 TYR A 429 -2.578 3.227 -7.561 1.00 0.20 H new ATOM 0 HH TYR A 429 -3.727 2.225 -9.531 1.00 0.33 H new ATOM 1422 N GLY A 430 -3.181 10.749 -6.771 1.00 0.15 N ATOM 1423 CA GLY A 430 -2.849 12.142 -6.667 1.00 0.17 C ATOM 1424 C GLY A 430 -3.316 12.709 -5.377 1.00 0.17 C ATOM 1425 O GLY A 430 -3.463 11.967 -4.405 1.00 0.16 O ATOM 0 H GLY A 430 -3.515 10.316 -5.910 1.00 0.15 H new ATOM 0 HA2 GLY A 430 -1.770 12.269 -6.754 1.00 0.17 H new ATOM 0 HA3 GLY A 430 -3.302 12.689 -7.493 1.00 0.17 H new ATOM 1429 N GLY A 431 -3.472 14.029 -5.342 1.00 0.19 N ATOM 1430 CA GLY A 431 -4.150 14.657 -4.235 1.00 0.21 C ATOM 1431 C GLY A 431 -5.346 13.883 -3.814 1.00 0.19 C ATOM 1432 O GLY A 431 -5.893 13.072 -4.567 1.00 0.18 O ATOM 0 H GLY A 431 -3.139 14.670 -6.062 1.00 0.19 H new ATOM 0 HA2 GLY A 431 -3.463 14.752 -3.394 1.00 0.21 H new ATOM 0 HA3 GLY A 431 -4.450 15.666 -4.517 1.00 0.21 H new ATOM 1436 N ASP A 432 -5.813 14.236 -2.669 1.00 0.21 N ATOM 1437 CA ASP A 432 -6.586 13.349 -1.853 1.00 0.21 C ATOM 1438 C ASP A 432 -7.763 12.737 -2.589 1.00 0.18 C ATOM 1439 O ASP A 432 -8.815 13.347 -2.778 1.00 0.23 O ATOM 1440 CB ASP A 432 -7.077 14.160 -0.686 1.00 0.25 C ATOM 1441 CG ASP A 432 -5.961 14.668 0.208 1.00 1.10 C ATOM 1442 OD1 ASP A 432 -5.448 13.876 1.022 1.00 1.85 O1- ATOM 1443 OD2 ASP A 432 -5.579 15.846 0.098 1.00 1.14 O ATOM 0 H ASP A 432 -5.671 15.160 -2.261 1.00 0.21 H new ATOM 0 HA ASP A 432 -5.962 12.511 -1.544 1.00 0.21 H new ATOM 0 HB2 ASP A 432 -7.649 15.010 -1.059 1.00 0.25 H new ATOM 0 HB3 ASP A 432 -7.760 13.552 -0.092 1.00 0.25 H new ATOM 1448 N LEU A 433 -7.540 11.489 -2.972 1.00 0.14 N ATOM 1449 CA LEU A 433 -8.537 10.651 -3.603 1.00 0.13 C ATOM 1450 C LEU A 433 -9.215 9.804 -2.551 1.00 0.12 C ATOM 1451 O LEU A 433 -10.381 9.499 -2.633 1.00 0.14 O ATOM 1452 CB LEU A 433 -7.872 9.759 -4.650 1.00 0.15 C ATOM 1453 CG LEU A 433 -7.188 10.499 -5.786 1.00 0.39 C ATOM 1454 CD1 LEU A 433 -6.244 9.574 -6.490 1.00 1.21 C ATOM 1455 CD2 LEU A 433 -8.203 11.028 -6.769 1.00 1.08 C ATOM 0 H LEU A 433 -6.640 11.025 -2.848 1.00 0.14 H new ATOM 0 HA LEU A 433 -9.283 11.275 -4.096 1.00 0.13 H new ATOM 0 HB2 LEU A 433 -7.135 9.128 -4.152 1.00 0.15 H new ATOM 0 HB3 LEU A 433 -8.627 9.095 -5.072 1.00 0.15 H new ATOM 0 HG LEU A 433 -6.637 11.342 -5.369 1.00 0.39 H new ATOM 0 HD11 LEU A 433 -5.754 10.106 -7.305 1.00 1.21 H new ATOM 0 HD12 LEU A 433 -5.493 9.216 -5.786 1.00 1.21 H new ATOM 0 HD13 LEU A 433 -6.798 8.726 -6.892 1.00 1.21 H new ATOM 0 HD21 LEU A 433 -7.690 11.554 -7.574 1.00 1.08 H new ATOM 0 HD22 LEU A 433 -8.774 10.198 -7.184 1.00 1.08 H new ATOM 0 HD23 LEU A 433 -8.879 11.715 -6.260 1.00 1.08 H new ATOM 1467 N TRP A 434 -8.437 9.443 -1.546 1.00 0.10 N ATOM 1468 CA TRP A 434 -8.859 8.514 -0.501 1.00 0.10 C ATOM 1469 C TRP A 434 -10.153 8.937 0.163 1.00 0.11 C ATOM 1470 O TRP A 434 -10.891 8.112 0.683 1.00 0.15 O ATOM 1471 CB TRP A 434 -7.747 8.397 0.533 1.00 0.10 C ATOM 1472 CG TRP A 434 -7.441 9.690 1.192 1.00 0.10 C ATOM 1473 CD1 TRP A 434 -6.576 10.643 0.762 1.00 0.11 C ATOM 1474 CD2 TRP A 434 -8.027 10.185 2.390 1.00 0.12 C ATOM 1475 NE1 TRP A 434 -6.598 11.708 1.623 1.00 0.13 N ATOM 1476 CE2 TRP A 434 -7.479 11.450 2.624 1.00 0.13 C ATOM 1477 CE3 TRP A 434 -8.967 9.687 3.285 1.00 0.13 C ATOM 1478 CZ2 TRP A 434 -7.841 12.224 3.706 1.00 0.16 C ATOM 1479 CZ3 TRP A 434 -9.326 10.457 4.359 1.00 0.14 C ATOM 1480 CH2 TRP A 434 -8.768 11.718 4.561 1.00 0.16 C ATOM 0 H TRP A 434 -7.484 9.787 -1.427 1.00 0.10 H new ATOM 0 HA TRP A 434 -9.049 7.546 -0.965 1.00 0.10 H new ATOM 0 HB2 TRP A 434 -8.035 7.667 1.290 1.00 0.10 H new ATOM 0 HB3 TRP A 434 -6.846 8.017 0.051 1.00 0.10 H new ATOM 0 HD1 TRP A 434 -5.963 10.572 -0.125 1.00 0.11 H new ATOM 0 HE1 TRP A 434 -6.042 12.558 1.528 1.00 0.13 H new ATOM 0 HE3 TRP A 434 -9.406 8.711 3.136 1.00 0.13 H new ATOM 0 HZ2 TRP A 434 -7.403 13.198 3.868 1.00 0.16 H new ATOM 0 HZ3 TRP A 434 -10.054 10.080 5.062 1.00 0.14 H new ATOM 0 HH2 TRP A 434 -9.078 12.304 5.413 1.00 0.16 H new ATOM 1491 N LYS A 435 -10.406 10.233 0.161 1.00 0.12 N ATOM 1492 CA LYS A 435 -11.583 10.770 0.794 1.00 0.14 C ATOM 1493 C LYS A 435 -12.762 10.819 -0.152 1.00 0.17 C ATOM 1494 O LYS A 435 -13.908 10.651 0.250 1.00 0.20 O ATOM 1495 CB LYS A 435 -11.274 12.159 1.316 1.00 0.15 C ATOM 1496 CG LYS A 435 -9.922 12.634 0.880 1.00 0.15 C ATOM 1497 CD LYS A 435 -9.561 13.953 1.476 1.00 0.17 C ATOM 1498 CE LYS A 435 -10.143 14.142 2.852 1.00 0.18 C ATOM 1499 NZ LYS A 435 -9.727 15.427 3.475 1.00 0.22 N1+ ATOM 0 H LYS A 435 -9.805 10.932 -0.276 1.00 0.12 H new ATOM 0 HA LYS A 435 -11.859 10.112 1.618 1.00 0.14 H new ATOM 0 HB2 LYS A 435 -12.034 12.856 0.964 1.00 0.15 H new ATOM 0 HB3 LYS A 435 -11.324 12.157 2.405 1.00 0.15 H new ATOM 0 HG2 LYS A 435 -9.172 11.894 1.161 1.00 0.15 H new ATOM 0 HG3 LYS A 435 -9.901 12.712 -0.207 1.00 0.15 H new ATOM 0 HD2 LYS A 435 -8.476 14.039 1.529 1.00 0.17 H new ATOM 0 HD3 LYS A 435 -9.913 14.752 0.823 1.00 0.17 H new ATOM 0 HE2 LYS A 435 -11.231 14.107 2.791 1.00 0.18 H new ATOM 0 HE3 LYS A 435 -9.833 13.315 3.491 1.00 0.18 H new ATOM 0 HZ1 LYS A 435 -10.154 15.509 4.420 1.00 0.22 H new ATOM 0 HZ2 LYS A 435 -8.691 15.452 3.560 1.00 0.22 H new ATOM 0 HZ3 LYS A 435 -10.045 16.220 2.882 1.00 0.22 H new ATOM 1513 N THR A 436 -12.461 11.076 -1.400 1.00 0.16 N ATOM 1514 CA THR A 436 -13.486 11.237 -2.417 1.00 0.19 C ATOM 1515 C THR A 436 -13.819 9.900 -3.065 1.00 0.19 C ATOM 1516 O THR A 436 -14.980 9.566 -3.306 1.00 0.22 O ATOM 1517 CB THR A 436 -12.987 12.245 -3.468 1.00 0.23 C ATOM 1518 OG1 THR A 436 -12.150 11.608 -4.439 1.00 0.25 O ATOM 1519 CG2 THR A 436 -12.169 13.302 -2.775 1.00 0.21 C ATOM 0 H THR A 436 -11.507 11.180 -1.745 1.00 0.16 H new ATOM 0 HA THR A 436 -14.400 11.613 -1.957 1.00 0.19 H new ATOM 0 HB THR A 436 -13.854 12.674 -3.969 1.00 0.23 H new ATOM 0 HG1 THR A 436 -11.848 12.270 -5.095 1.00 0.25 H new ATOM 0 HG21 THR A 436 -11.809 14.023 -3.509 1.00 0.21 H new ATOM 0 HG22 THR A 436 -12.786 13.813 -2.036 1.00 0.21 H new ATOM 0 HG23 THR A 436 -11.319 12.836 -2.277 1.00 0.21 H new ATOM 1527 N ARG A 437 -12.775 9.139 -3.316 1.00 0.18 N ATOM 1528 CA ARG A 437 -12.872 7.840 -3.954 1.00 0.20 C ATOM 1529 C ARG A 437 -12.945 6.750 -2.901 1.00 0.20 C ATOM 1530 O ARG A 437 -13.354 5.625 -3.184 1.00 0.24 O ATOM 1531 CB ARG A 437 -11.632 7.663 -4.822 1.00 0.24 C ATOM 1532 CG ARG A 437 -11.153 8.947 -5.370 1.00 0.27 C ATOM 1533 CD ARG A 437 -10.580 8.768 -6.731 1.00 0.40 C ATOM 1534 NE ARG A 437 -11.628 8.725 -7.751 1.00 0.71 N ATOM 1535 CZ ARG A 437 -11.722 9.570 -8.785 1.00 1.26 C ATOM 1536 NH1 ARG A 437 -10.807 10.516 -8.975 1.00 1.82 N1+ ATOM 1537 NH2 ARG A 437 -12.737 9.461 -9.634 1.00 1.47 N ATOM 0 H ARG A 437 -11.820 9.408 -3.080 1.00 0.18 H new ATOM 0 HA ARG A 437 -13.773 7.774 -4.564 1.00 0.20 H new ATOM 0 HB2 ARG A 437 -10.839 7.202 -4.232 1.00 0.24 H new ATOM 0 HB3 ARG A 437 -11.857 6.981 -5.641 1.00 0.24 H new ATOM 0 HG2 ARG A 437 -11.977 9.659 -5.410 1.00 0.27 H new ATOM 0 HG3 ARG A 437 -10.398 9.370 -4.707 1.00 0.27 H new ATOM 0 HD2 ARG A 437 -9.892 9.585 -6.948 1.00 0.40 H new ATOM 0 HD3 ARG A 437 -10.000 7.846 -6.765 1.00 0.40 H new ATOM 0 HE ARG A 437 -12.339 7.998 -7.668 1.00 0.71 H new ATOM 0 HH11 ARG A 437 -10.022 10.604 -8.329 1.00 1.82 H new ATOM 0 HH12 ARG A 437 -10.890 11.154 -9.767 1.00 1.82 H new ATOM 0 HH21 ARG A 437 -13.441 8.736 -9.497 1.00 1.47 H new ATOM 0 HH22 ARG A 437 -12.813 10.103 -10.423 1.00 1.47 H new ATOM 1551 N GLY A 438 -12.536 7.113 -1.686 1.00 0.17 N ATOM 1552 CA GLY A 438 -12.853 6.339 -0.506 1.00 0.18 C ATOM 1553 C GLY A 438 -12.492 4.867 -0.587 1.00 0.21 C ATOM 1554 O GLY A 438 -13.323 4.017 -0.255 1.00 0.24 O ATOM 0 H GLY A 438 -11.980 7.948 -1.502 1.00 0.17 H new ATOM 0 HA2 GLY A 438 -12.336 6.778 0.347 1.00 0.18 H new ATOM 0 HA3 GLY A 438 -13.922 6.425 -0.310 1.00 0.18 H new ATOM 1558 N SER A 439 -11.280 4.539 -1.008 1.00 0.22 N ATOM 1559 CA SER A 439 -10.971 3.148 -1.268 1.00 0.27 C ATOM 1560 C SER A 439 -10.572 2.404 0.006 1.00 0.27 C ATOM 1561 O SER A 439 -9.500 2.636 0.564 1.00 0.27 O ATOM 1562 CB SER A 439 -9.854 3.057 -2.301 1.00 0.31 C ATOM 1563 OG SER A 439 -8.805 3.956 -1.986 1.00 1.01 O ATOM 0 H SER A 439 -10.518 5.196 -1.172 1.00 0.22 H new ATOM 0 HA SER A 439 -11.871 2.671 -1.655 1.00 0.27 H new ATOM 0 HB2 SER A 439 -9.468 2.038 -2.337 1.00 0.31 H new ATOM 0 HB3 SER A 439 -10.249 3.284 -3.291 1.00 0.31 H new ATOM 0 HG SER A 439 -8.622 3.921 -1.024 1.00 1.01 H new ATOM 1569 N HIS A 440 -11.453 1.487 0.416 1.00 0.29 N ATOM 1570 CA HIS A 440 -11.258 0.617 1.582 1.00 0.32 C ATOM 1571 C HIS A 440 -10.527 1.309 2.740 1.00 0.28 C ATOM 1572 O HIS A 440 -11.005 2.310 3.279 1.00 0.34 O ATOM 1573 CB HIS A 440 -10.518 -0.665 1.196 1.00 0.36 C ATOM 1574 CG HIS A 440 -11.309 -1.641 0.381 1.00 0.40 C ATOM 1575 ND1 HIS A 440 -12.563 -2.076 0.740 1.00 0.45 N ATOM 1576 CD2 HIS A 440 -11.000 -2.294 -0.768 1.00 0.42 C ATOM 1577 CE1 HIS A 440 -12.993 -2.950 -0.144 1.00 0.50 C ATOM 1578 NE2 HIS A 440 -12.068 -3.100 -1.073 1.00 0.48 N ATOM 0 H HIS A 440 -12.339 1.325 -0.062 1.00 0.29 H new ATOM 0 HA HIS A 440 -12.259 0.368 1.935 1.00 0.32 H new ATOM 0 HB2 HIS A 440 -9.622 -0.393 0.638 1.00 0.36 H new ATOM 0 HB3 HIS A 440 -10.187 -1.162 2.108 1.00 0.36 H new ATOM 0 HD2 HIS A 440 -10.086 -2.198 -1.335 1.00 0.42 H new ATOM 0 HE1 HIS A 440 -13.945 -3.460 -0.114 1.00 0.50 H new ATOM 0 HE2 HIS A 440 -12.136 -3.714 -1.885 1.00 0.48 H new ATOM 1587 N GLY A 441 -9.360 0.777 3.099 1.00 0.23 N ATOM 1588 CA GLY A 441 -8.630 1.282 4.247 1.00 0.22 C ATOM 1589 C GLY A 441 -7.133 1.425 4.010 1.00 0.17 C ATOM 1590 O GLY A 441 -6.450 2.105 4.779 1.00 0.26 O ATOM 0 H GLY A 441 -8.907 0.003 2.613 1.00 0.23 H new ATOM 0 HA2 GLY A 441 -9.038 2.253 4.527 1.00 0.22 H new ATOM 0 HA3 GLY A 441 -8.792 0.613 5.092 1.00 0.22 H new ATOM 1594 N CYS A 442 -6.607 0.782 2.963 1.00 0.10 N ATOM 1595 CA CYS A 442 -5.175 0.803 2.719 1.00 0.15 C ATOM 1596 C CYS A 442 -4.791 1.743 1.587 1.00 0.13 C ATOM 1597 O CYS A 442 -5.556 2.614 1.194 1.00 0.21 O ATOM 1598 CB CYS A 442 -4.656 -0.593 2.395 1.00 0.24 C ATOM 1599 SG CYS A 442 -5.341 -1.297 0.882 1.00 0.35 S ATOM 0 H CYS A 442 -7.149 0.249 2.283 1.00 0.10 H new ATOM 0 HA CYS A 442 -4.717 1.167 3.639 1.00 0.15 H new ATOM 0 HB2 CYS A 442 -3.570 -0.554 2.307 1.00 0.24 H new ATOM 0 HB3 CYS A 442 -4.885 -1.257 3.229 1.00 0.24 H new ATOM 0 HG CYS A 442 -5.010 -2.551 0.798 1.00 0.35 H new ATOM 1604 N ILE A 443 -3.545 1.604 1.142 1.00 0.09 N ATOM 1605 CA ILE A 443 -2.959 2.495 0.153 1.00 0.07 C ATOM 1606 C ILE A 443 -3.017 1.878 -1.232 1.00 0.08 C ATOM 1607 O ILE A 443 -2.590 0.742 -1.436 1.00 0.12 O ATOM 1608 CB ILE A 443 -1.487 2.821 0.498 1.00 0.07 C ATOM 1609 CG1 ILE A 443 -1.372 3.782 1.694 1.00 0.09 C ATOM 1610 CG2 ILE A 443 -0.763 3.410 -0.709 1.00 0.07 C ATOM 1611 CD1 ILE A 443 -1.790 3.209 3.033 1.00 0.11 C ATOM 0 H ILE A 443 -2.915 0.868 1.460 1.00 0.09 H new ATOM 0 HA ILE A 443 -3.541 3.417 0.164 1.00 0.07 H new ATOM 0 HB ILE A 443 -1.013 1.880 0.777 1.00 0.07 H new ATOM 0 HG12 ILE A 443 -0.338 4.119 1.769 1.00 0.09 H new ATOM 0 HG13 ILE A 443 -1.980 4.663 1.490 1.00 0.09 H new ATOM 0 HG21 ILE A 443 0.270 3.631 -0.441 1.00 0.07 H new ATOM 0 HG22 ILE A 443 -0.780 2.692 -1.529 1.00 0.07 H new ATOM 0 HG23 ILE A 443 -1.261 4.328 -1.020 1.00 0.07 H new ATOM 0 HD11 ILE A 443 -1.670 3.967 3.807 1.00 0.11 H new ATOM 0 HD12 ILE A 443 -2.834 2.900 2.986 1.00 0.11 H new ATOM 0 HD13 ILE A 443 -1.167 2.347 3.270 1.00 0.11 H new ATOM 1623 N ASN A 444 -3.533 2.646 -2.175 1.00 0.08 N ATOM 1624 CA ASN A 444 -3.696 2.180 -3.544 1.00 0.08 C ATOM 1625 C ASN A 444 -2.593 2.736 -4.428 1.00 0.07 C ATOM 1626 O ASN A 444 -2.648 3.880 -4.875 1.00 0.11 O ATOM 1627 CB ASN A 444 -5.066 2.574 -4.089 1.00 0.11 C ATOM 1628 CG ASN A 444 -6.205 1.721 -3.553 1.00 0.27 C ATOM 1629 OD1 ASN A 444 -7.204 1.505 -4.238 1.00 0.62 O ATOM 1630 ND2 ASN A 444 -6.063 1.209 -2.338 1.00 0.15 N ATOM 0 H ASN A 444 -3.849 3.603 -2.017 1.00 0.08 H new ATOM 0 HA ASN A 444 -3.627 1.092 -3.546 1.00 0.08 H new ATOM 0 HB2 ASN A 444 -5.259 3.618 -3.843 1.00 0.11 H new ATOM 0 HB3 ASN A 444 -5.049 2.501 -5.176 1.00 0.11 H new ATOM 0 HD21 ASN A 444 -6.795 0.617 -1.946 1.00 0.15 H new ATOM 0 HD22 ASN A 444 -5.222 1.408 -1.796 1.00 0.15 H new ATOM 1637 N THR A 445 -1.583 1.919 -4.640 1.00 0.08 N ATOM 1638 CA THR A 445 -0.411 2.273 -5.394 1.00 0.08 C ATOM 1639 C THR A 445 -0.516 1.866 -6.859 1.00 0.08 C ATOM 1640 O THR A 445 -1.108 0.864 -7.191 1.00 0.10 O ATOM 1641 CB THR A 445 0.771 1.571 -4.734 1.00 0.06 C ATOM 1642 OG1 THR A 445 0.698 1.716 -3.309 1.00 0.09 O ATOM 1643 CG2 THR A 445 2.054 2.142 -5.214 1.00 0.06 C ATOM 0 H THR A 445 -1.559 0.965 -4.280 1.00 0.08 H new ATOM 0 HA THR A 445 -0.290 3.356 -5.390 1.00 0.08 H new ATOM 0 HB THR A 445 0.728 0.515 -4.999 1.00 0.06 H new ATOM 0 HG1 THR A 445 1.587 1.930 -2.956 1.00 0.09 H new ATOM 0 HG21 THR A 445 2.885 1.627 -4.731 1.00 0.06 H new ATOM 0 HG22 THR A 445 2.127 2.015 -6.294 1.00 0.06 H new ATOM 0 HG23 THR A 445 2.094 3.204 -4.970 1.00 0.06 H new ATOM 1651 N PRO A 446 0.040 2.696 -7.749 1.00 0.08 N ATOM 1652 CA PRO A 446 0.116 2.424 -9.190 1.00 0.10 C ATOM 1653 C PRO A 446 0.692 1.069 -9.508 1.00 0.14 C ATOM 1654 O PRO A 446 1.612 0.583 -8.847 1.00 0.24 O ATOM 1655 CB PRO A 446 1.042 3.525 -9.694 1.00 0.10 C ATOM 1656 CG PRO A 446 0.843 4.640 -8.745 1.00 0.08 C ATOM 1657 CD PRO A 446 0.615 4.001 -7.415 1.00 0.07 C ATOM 0 HA PRO A 446 -0.871 2.416 -9.652 1.00 0.10 H new ATOM 0 HB2 PRO A 446 2.081 3.195 -9.706 1.00 0.10 H new ATOM 0 HB3 PRO A 446 0.789 3.821 -10.712 1.00 0.10 H new ATOM 0 HG2 PRO A 446 1.714 5.294 -8.721 1.00 0.08 H new ATOM 0 HG3 PRO A 446 -0.009 5.254 -9.036 1.00 0.08 H new ATOM 0 HD2 PRO A 446 1.545 3.897 -6.856 1.00 0.07 H new ATOM 0 HD3 PRO A 446 -0.063 4.591 -6.799 1.00 0.07 H new ATOM 1665 N PRO A 447 0.152 0.447 -10.553 1.00 0.12 N ATOM 1666 CA PRO A 447 0.526 -0.895 -10.947 1.00 0.12 C ATOM 1667 C PRO A 447 1.981 -0.983 -11.400 1.00 0.14 C ATOM 1668 O PRO A 447 2.644 -2.006 -11.227 1.00 0.31 O ATOM 1669 CB PRO A 447 -0.409 -1.195 -12.105 1.00 0.15 C ATOM 1670 CG PRO A 447 -1.525 -0.251 -11.934 1.00 0.14 C ATOM 1671 CD PRO A 447 -0.884 0.991 -11.444 1.00 0.13 C ATOM 0 HA PRO A 447 0.443 -1.600 -10.120 1.00 0.12 H new ATOM 0 HB2 PRO A 447 0.089 -1.051 -13.064 1.00 0.15 H new ATOM 0 HB3 PRO A 447 -0.756 -2.228 -12.077 1.00 0.15 H new ATOM 0 HG2 PRO A 447 -2.051 -0.083 -12.874 1.00 0.14 H new ATOM 0 HG3 PRO A 447 -2.259 -0.628 -11.221 1.00 0.14 H new ATOM 0 HD2 PRO A 447 -0.460 1.582 -12.255 1.00 0.13 H new ATOM 0 HD3 PRO A 447 -1.586 1.635 -10.914 1.00 0.13 H new ATOM 1679 N SER A 448 2.479 0.112 -11.952 1.00 0.12 N ATOM 1680 CA SER A 448 3.829 0.158 -12.483 1.00 0.11 C ATOM 1681 C SER A 448 4.886 0.179 -11.376 1.00 0.09 C ATOM 1682 O SER A 448 6.038 -0.157 -11.595 1.00 0.09 O ATOM 1683 CB SER A 448 3.982 1.397 -13.360 1.00 0.14 C ATOM 1684 OG SER A 448 3.015 1.405 -14.398 1.00 1.10 O ATOM 0 H SER A 448 1.962 0.987 -12.044 1.00 0.12 H new ATOM 0 HA SER A 448 3.988 -0.747 -13.069 1.00 0.11 H new ATOM 0 HB2 SER A 448 3.875 2.294 -12.751 1.00 0.14 H new ATOM 0 HB3 SER A 448 4.983 1.422 -13.790 1.00 0.14 H new ATOM 0 HG SER A 448 3.131 2.209 -14.947 1.00 1.10 H new ATOM 1690 N VAL A 449 4.498 0.628 -10.190 1.00 0.07 N ATOM 1691 CA VAL A 449 5.462 0.893 -9.139 1.00 0.06 C ATOM 1692 C VAL A 449 5.530 -0.203 -8.115 1.00 0.05 C ATOM 1693 O VAL A 449 6.598 -0.661 -7.767 1.00 0.05 O ATOM 1694 CB VAL A 449 5.151 2.225 -8.482 1.00 0.06 C ATOM 1695 CG1 VAL A 449 5.177 3.295 -9.535 1.00 0.08 C ATOM 1696 CG2 VAL A 449 3.817 2.165 -7.802 1.00 0.06 C ATOM 0 H VAL A 449 3.528 0.814 -9.936 1.00 0.07 H new ATOM 0 HA VAL A 449 6.446 0.935 -9.605 1.00 0.06 H new ATOM 0 HB VAL A 449 5.897 2.454 -7.722 1.00 0.06 H new ATOM 0 HG11 VAL A 449 4.955 4.260 -9.079 1.00 0.08 H new ATOM 0 HG12 VAL A 449 6.165 3.329 -9.994 1.00 0.08 H new ATOM 0 HG13 VAL A 449 4.430 3.074 -10.297 1.00 0.08 H new ATOM 0 HG21 VAL A 449 3.604 3.126 -7.334 1.00 0.06 H new ATOM 0 HG22 VAL A 449 3.044 1.940 -8.537 1.00 0.06 H new ATOM 0 HG23 VAL A 449 3.832 1.386 -7.040 1.00 0.06 H new ATOM 1706 N MET A 450 4.407 -0.652 -7.637 1.00 0.05 N ATOM 1707 CA MET A 450 4.421 -1.691 -6.633 1.00 0.05 C ATOM 1708 C MET A 450 4.927 -2.991 -7.231 1.00 0.05 C ATOM 1709 O MET A 450 5.100 -3.983 -6.524 1.00 0.06 O ATOM 1710 CB MET A 450 3.057 -1.843 -5.972 1.00 0.07 C ATOM 1711 CG MET A 450 2.985 -1.310 -4.544 1.00 0.06 C ATOM 1712 SD MET A 450 3.267 -2.574 -3.284 1.00 0.06 S ATOM 1713 CE MET A 450 2.977 -4.064 -4.206 1.00 0.05 C ATOM 0 H MET A 450 3.481 -0.326 -7.916 1.00 0.05 H new ATOM 0 HA MET A 450 5.113 -1.404 -5.841 1.00 0.05 H new ATOM 0 HB2 MET A 450 2.314 -1.325 -6.578 1.00 0.07 H new ATOM 0 HB3 MET A 450 2.785 -2.898 -5.967 1.00 0.07 H new ATOM 0 HG2 MET A 450 3.724 -0.518 -4.423 1.00 0.06 H new ATOM 0 HG3 MET A 450 2.006 -0.860 -4.382 1.00 0.06 H new ATOM 0 HE1 MET A 450 2.869 -4.902 -3.518 1.00 0.05 H new ATOM 0 HE2 MET A 450 2.065 -3.957 -4.793 1.00 0.05 H new ATOM 0 HE3 MET A 450 3.819 -4.249 -4.873 1.00 0.05 H new ATOM 1723 N LYS A 451 5.213 -2.978 -8.514 1.00 0.05 N ATOM 1724 CA LYS A 451 5.840 -4.118 -9.126 1.00 0.05 C ATOM 1725 C LYS A 451 7.325 -4.062 -8.822 1.00 0.05 C ATOM 1726 O LYS A 451 7.974 -5.061 -8.507 1.00 0.06 O ATOM 1727 CB LYS A 451 5.625 -4.101 -10.619 1.00 0.06 C ATOM 1728 CG LYS A 451 6.379 -3.018 -11.248 1.00 0.06 C ATOM 1729 CD LYS A 451 6.209 -3.011 -12.716 1.00 0.08 C ATOM 1730 CE LYS A 451 7.270 -2.155 -13.325 1.00 0.10 C ATOM 1731 NZ LYS A 451 8.583 -2.851 -13.432 1.00 0.92 N1+ ATOM 0 H LYS A 451 5.023 -2.199 -9.144 1.00 0.05 H new ATOM 0 HA LYS A 451 5.404 -5.035 -8.730 1.00 0.05 H new ATOM 0 HB2 LYS A 451 5.932 -5.056 -11.044 1.00 0.06 H new ATOM 0 HB3 LYS A 451 4.563 -3.982 -10.835 1.00 0.06 H new ATOM 0 HG2 LYS A 451 6.051 -2.062 -10.840 1.00 0.06 H new ATOM 0 HG3 LYS A 451 7.436 -3.123 -11.005 1.00 0.06 H new ATOM 0 HD2 LYS A 451 6.274 -4.026 -13.107 1.00 0.08 H new ATOM 0 HD3 LYS A 451 5.222 -2.631 -12.979 1.00 0.08 H new ATOM 0 HE2 LYS A 451 6.950 -1.839 -14.318 1.00 0.10 H new ATOM 0 HE3 LYS A 451 7.390 -1.252 -12.726 1.00 0.10 H new ATOM 0 HZ1 LYS A 451 9.287 -2.357 -12.847 1.00 0.92 H new ATOM 0 HZ2 LYS A 451 8.484 -3.832 -13.100 1.00 0.92 H new ATOM 0 HZ3 LYS A 451 8.896 -2.851 -14.424 1.00 0.92 H new ATOM 1745 N GLU A 452 7.811 -2.817 -8.872 1.00 0.05 N ATOM 1746 CA GLU A 452 9.178 -2.468 -8.690 1.00 0.05 C ATOM 1747 C GLU A 452 9.536 -2.881 -7.324 1.00 0.05 C ATOM 1748 O GLU A 452 10.578 -3.444 -7.046 1.00 0.06 O ATOM 1749 CB GLU A 452 9.250 -0.969 -8.756 1.00 0.05 C ATOM 1750 CG GLU A 452 8.780 -0.410 -10.056 1.00 0.07 C ATOM 1751 CD GLU A 452 9.884 -0.171 -11.055 1.00 0.12 C ATOM 1752 OE1 GLU A 452 10.360 -1.149 -11.670 1.00 0.24 O ATOM 1753 OE2 GLU A 452 10.286 0.997 -11.231 1.00 0.25 O1- ATOM 0 H GLU A 452 7.216 -2.008 -9.050 1.00 0.05 H new ATOM 0 HA GLU A 452 9.833 -2.929 -9.430 1.00 0.05 H new ATOM 0 HB2 GLU A 452 8.649 -0.548 -7.950 1.00 0.05 H new ATOM 0 HB3 GLU A 452 10.279 -0.654 -8.585 1.00 0.05 H new ATOM 0 HG2 GLU A 452 8.051 -1.094 -10.492 1.00 0.07 H new ATOM 0 HG3 GLU A 452 8.263 0.531 -9.869 1.00 0.07 H new ATOM 1760 N LEU A 453 8.616 -2.493 -6.486 1.00 0.04 N ATOM 1761 CA LEU A 453 8.542 -2.856 -5.131 1.00 0.04 C ATOM 1762 C LEU A 453 8.718 -4.312 -4.921 1.00 0.05 C ATOM 1763 O LEU A 453 9.679 -4.727 -4.302 1.00 0.05 O ATOM 1764 CB LEU A 453 7.171 -2.476 -4.657 1.00 0.04 C ATOM 1765 CG LEU A 453 7.150 -1.863 -3.321 1.00 0.04 C ATOM 1766 CD1 LEU A 453 8.326 -0.994 -3.174 1.00 0.03 C ATOM 1767 CD2 LEU A 453 5.938 -1.049 -3.123 1.00 0.05 C ATOM 0 H LEU A 453 7.856 -1.874 -6.768 1.00 0.04 H new ATOM 0 HA LEU A 453 9.340 -2.350 -4.587 1.00 0.04 H new ATOM 0 HB2 LEU A 453 6.730 -1.781 -5.372 1.00 0.04 H new ATOM 0 HB3 LEU A 453 6.541 -3.366 -4.648 1.00 0.04 H new ATOM 0 HG LEU A 453 7.159 -2.662 -2.580 1.00 0.04 H new ATOM 0 HD11 LEU A 453 8.318 -0.535 -2.185 1.00 0.03 H new ATOM 0 HD12 LEU A 453 9.233 -1.587 -3.292 1.00 0.03 H new ATOM 0 HD13 LEU A 453 8.300 -0.215 -3.936 1.00 0.03 H new ATOM 0 HD21 LEU A 453 5.954 -0.610 -2.125 1.00 0.05 H new ATOM 0 HD22 LEU A 453 5.907 -0.255 -3.869 1.00 0.05 H new ATOM 0 HD23 LEU A 453 5.055 -1.679 -3.228 1.00 0.05 H new ATOM 1779 N PHE A 454 7.782 -5.075 -5.407 1.00 0.05 N ATOM 1780 CA PHE A 454 7.891 -6.531 -5.349 1.00 0.06 C ATOM 1781 C PHE A 454 9.304 -6.963 -5.774 1.00 0.07 C ATOM 1782 O PHE A 454 9.816 -8.009 -5.365 1.00 0.09 O ATOM 1783 CB PHE A 454 6.814 -7.192 -6.234 1.00 0.07 C ATOM 1784 CG PHE A 454 6.924 -8.697 -6.337 1.00 0.08 C ATOM 1785 CD1 PHE A 454 7.839 -9.318 -7.193 1.00 0.11 C ATOM 1786 CD2 PHE A 454 6.091 -9.499 -5.575 1.00 0.09 C ATOM 1787 CE1 PHE A 454 7.897 -10.699 -7.271 1.00 0.13 C ATOM 1788 CE2 PHE A 454 6.153 -10.871 -5.655 1.00 0.12 C ATOM 1789 CZ PHE A 454 7.197 -11.460 -6.546 1.00 0.12 C ATOM 0 H PHE A 454 6.931 -4.729 -5.850 1.00 0.05 H new ATOM 0 HA PHE A 454 7.722 -6.862 -4.324 1.00 0.06 H new ATOM 0 HB2 PHE A 454 5.831 -6.938 -5.838 1.00 0.07 H new ATOM 0 HB3 PHE A 454 6.874 -6.767 -7.236 1.00 0.07 H new ATOM 0 HD1 PHE A 454 8.504 -8.717 -7.796 1.00 0.11 H new ATOM 0 HD2 PHE A 454 5.379 -9.039 -4.905 1.00 0.09 H new ATOM 0 HE1 PHE A 454 8.572 -11.146 -7.985 1.00 0.13 H new ATOM 0 HE2 PHE A 454 5.474 -11.497 -5.096 1.00 0.12 H new ATOM 0 HZ PHE A 454 7.352 -12.529 -6.570 1.00 0.12 H new ATOM 1799 N GLY A 455 9.951 -6.082 -6.534 1.00 0.06 N ATOM 1800 CA GLY A 455 11.255 -6.372 -7.070 1.00 0.08 C ATOM 1801 C GLY A 455 12.364 -5.919 -6.141 1.00 0.08 C ATOM 1802 O GLY A 455 13.465 -6.469 -6.176 1.00 0.13 O ATOM 0 H GLY A 455 9.583 -5.164 -6.786 1.00 0.06 H new ATOM 0 HA2 GLY A 455 11.345 -7.444 -7.246 1.00 0.08 H new ATOM 0 HA3 GLY A 455 11.368 -5.880 -8.036 1.00 0.08 H new ATOM 1806 N MET A 456 12.093 -4.899 -5.321 1.00 0.06 N ATOM 1807 CA MET A 456 13.079 -4.433 -4.367 1.00 0.05 C ATOM 1808 C MET A 456 12.824 -4.895 -2.966 1.00 0.05 C ATOM 1809 O MET A 456 13.750 -5.302 -2.265 1.00 0.06 O ATOM 1810 CB MET A 456 13.194 -2.936 -4.360 1.00 0.05 C ATOM 1811 CG MET A 456 11.908 -2.236 -4.512 1.00 0.04 C ATOM 1812 SD MET A 456 11.951 -1.054 -5.848 1.00 0.05 S ATOM 1813 CE MET A 456 10.499 -0.184 -5.382 1.00 0.04 C ATOM 0 H MET A 456 11.208 -4.392 -5.305 1.00 0.06 H new ATOM 0 HA MET A 456 14.015 -4.876 -4.708 1.00 0.05 H new ATOM 0 HB2 MET A 456 13.659 -2.622 -3.425 1.00 0.05 H new ATOM 0 HB3 MET A 456 13.860 -2.629 -5.166 1.00 0.05 H new ATOM 0 HG2 MET A 456 11.118 -2.964 -4.696 1.00 0.04 H new ATOM 0 HG3 MET A 456 11.660 -1.724 -3.582 1.00 0.04 H new ATOM 0 HE1 MET A 456 9.697 -0.412 -6.084 1.00 0.04 H new ATOM 0 HE2 MET A 456 10.200 -0.487 -4.379 1.00 0.04 H new ATOM 0 HE3 MET A 456 10.698 0.888 -5.394 1.00 0.04 H new ATOM 1823 N VAL A 457 11.599 -4.810 -2.533 1.00 0.05 N ATOM 1824 CA VAL A 457 11.292 -5.222 -1.194 1.00 0.05 C ATOM 1825 C VAL A 457 11.372 -6.707 -1.065 1.00 0.07 C ATOM 1826 O VAL A 457 11.106 -7.467 -2.000 1.00 0.08 O ATOM 1827 CB VAL A 457 9.947 -4.705 -0.664 1.00 0.05 C ATOM 1828 CG1 VAL A 457 9.192 -3.920 -1.706 1.00 0.04 C ATOM 1829 CG2 VAL A 457 9.104 -5.834 -0.108 1.00 0.05 C ATOM 0 H VAL A 457 10.808 -4.465 -3.077 1.00 0.05 H new ATOM 0 HA VAL A 457 12.053 -4.758 -0.566 1.00 0.05 H new ATOM 0 HB VAL A 457 10.169 -4.019 0.154 1.00 0.05 H new ATOM 0 HG11 VAL A 457 8.247 -3.574 -1.287 1.00 0.04 H new ATOM 0 HG12 VAL A 457 9.787 -3.061 -2.017 1.00 0.04 H new ATOM 0 HG13 VAL A 457 8.995 -4.556 -2.569 1.00 0.04 H new ATOM 0 HG21 VAL A 457 8.158 -5.435 0.259 1.00 0.05 H new ATOM 0 HG22 VAL A 457 8.909 -6.564 -0.894 1.00 0.05 H new ATOM 0 HG23 VAL A 457 9.637 -6.317 0.711 1.00 0.05 H new ATOM 1839 N GLU A 458 11.776 -7.093 0.103 1.00 0.08 N ATOM 1840 CA GLU A 458 11.928 -8.461 0.421 1.00 0.10 C ATOM 1841 C GLU A 458 10.913 -8.833 1.462 1.00 0.09 C ATOM 1842 O GLU A 458 10.379 -7.970 2.156 1.00 0.10 O ATOM 1843 CB GLU A 458 13.327 -8.698 0.958 1.00 0.13 C ATOM 1844 CG GLU A 458 14.072 -7.416 1.204 1.00 0.20 C ATOM 1845 CD GLU A 458 15.298 -7.592 2.072 1.00 0.27 C ATOM 1846 OE1 GLU A 458 16.350 -8.010 1.542 1.00 0.48 O1- ATOM 1847 OE2 GLU A 458 15.221 -7.318 3.287 1.00 0.46 O ATOM 0 H GLU A 458 12.010 -6.455 0.864 1.00 0.08 H new ATOM 0 HA GLU A 458 11.778 -9.072 -0.469 1.00 0.10 H new ATOM 0 HB2 GLU A 458 13.265 -9.263 1.888 1.00 0.13 H new ATOM 0 HB3 GLU A 458 13.886 -9.310 0.250 1.00 0.13 H new ATOM 0 HG2 GLU A 458 14.372 -6.989 0.247 1.00 0.20 H new ATOM 0 HG3 GLU A 458 13.401 -6.699 1.677 1.00 0.20 H new ATOM 1854 N LYS A 459 10.609 -10.109 1.533 1.00 0.11 N ATOM 1855 CA LYS A 459 9.880 -10.620 2.656 1.00 0.13 C ATOM 1856 C LYS A 459 10.691 -10.369 3.889 1.00 0.15 C ATOM 1857 O LYS A 459 11.653 -11.078 4.184 1.00 0.18 O ATOM 1858 CB LYS A 459 9.564 -12.088 2.511 1.00 0.16 C ATOM 1859 CG LYS A 459 8.621 -12.323 1.367 1.00 0.22 C ATOM 1860 CD LYS A 459 9.214 -13.227 0.330 1.00 0.70 C ATOM 1861 CE LYS A 459 9.197 -14.681 0.780 1.00 0.40 C ATOM 1862 NZ LYS A 459 9.712 -15.596 -0.270 1.00 0.99 N1+ ATOM 0 H LYS A 459 10.856 -10.803 0.828 1.00 0.11 H new ATOM 0 HA LYS A 459 8.920 -10.108 2.720 1.00 0.13 H new ATOM 0 HB2 LYS A 459 10.485 -12.648 2.349 1.00 0.16 H new ATOM 0 HB3 LYS A 459 9.122 -12.462 3.435 1.00 0.16 H new ATOM 0 HG2 LYS A 459 7.696 -12.760 1.743 1.00 0.22 H new ATOM 0 HG3 LYS A 459 8.360 -11.369 0.910 1.00 0.22 H new ATOM 0 HD2 LYS A 459 8.658 -13.127 -0.602 1.00 0.70 H new ATOM 0 HD3 LYS A 459 10.240 -12.921 0.123 1.00 0.70 H new ATOM 0 HE2 LYS A 459 9.800 -14.788 1.682 1.00 0.40 H new ATOM 0 HE3 LYS A 459 8.178 -14.967 1.042 1.00 0.40 H new ATOM 0 HZ1 LYS A 459 9.683 -16.576 0.078 1.00 0.99 H new ATOM 0 HZ2 LYS A 459 9.122 -15.514 -1.122 1.00 0.99 H new ATOM 0 HZ3 LYS A 459 10.693 -15.340 -0.503 1.00 0.99 H new ATOM 1876 N GLY A 460 10.285 -9.344 4.592 1.00 0.15 N ATOM 1877 CA GLY A 460 11.028 -8.886 5.740 1.00 0.19 C ATOM 1878 C GLY A 460 11.301 -7.397 5.671 1.00 0.15 C ATOM 1879 O GLY A 460 11.827 -6.802 6.607 1.00 0.17 O ATOM 0 H GLY A 460 9.441 -8.808 4.390 1.00 0.15 H new ATOM 0 HA2 GLY A 460 10.470 -9.112 6.649 1.00 0.19 H new ATOM 0 HA3 GLY A 460 11.972 -9.427 5.802 1.00 0.19 H new ATOM 1883 N THR A 461 10.969 -6.800 4.544 1.00 0.12 N ATOM 1884 CA THR A 461 10.977 -5.367 4.405 1.00 0.07 C ATOM 1885 C THR A 461 9.790 -4.807 5.174 1.00 0.08 C ATOM 1886 O THR A 461 8.796 -5.498 5.368 1.00 0.13 O ATOM 1887 CB THR A 461 10.905 -4.994 2.903 1.00 0.06 C ATOM 1888 OG1 THR A 461 12.164 -5.251 2.270 1.00 0.08 O ATOM 1889 CG2 THR A 461 10.508 -3.549 2.695 1.00 0.05 C ATOM 0 H THR A 461 10.687 -7.300 3.701 1.00 0.12 H new ATOM 0 HA THR A 461 11.895 -4.941 4.810 1.00 0.07 H new ATOM 0 HB THR A 461 10.134 -5.616 2.449 1.00 0.06 H new ATOM 0 HG1 THR A 461 12.365 -4.531 1.637 1.00 0.08 H new ATOM 0 HG21 THR A 461 10.470 -3.332 1.627 1.00 0.05 H new ATOM 0 HG22 THR A 461 9.527 -3.374 3.136 1.00 0.05 H new ATOM 0 HG23 THR A 461 11.241 -2.898 3.172 1.00 0.05 H new ATOM 1897 N PRO A 462 9.876 -3.590 5.696 1.00 0.09 N ATOM 1898 CA PRO A 462 8.787 -2.977 6.365 1.00 0.14 C ATOM 1899 C PRO A 462 8.025 -2.090 5.404 1.00 0.13 C ATOM 1900 O PRO A 462 8.467 -1.866 4.274 1.00 0.18 O ATOM 1901 CB PRO A 462 9.484 -2.172 7.467 1.00 0.18 C ATOM 1902 CG PRO A 462 10.941 -2.198 7.108 1.00 0.13 C ATOM 1903 CD PRO A 462 11.006 -2.681 5.709 1.00 0.09 C ATOM 0 HA PRO A 462 8.049 -3.673 6.763 1.00 0.14 H new ATOM 0 HB2 PRO A 462 9.106 -1.150 7.508 1.00 0.18 H new ATOM 0 HB3 PRO A 462 9.312 -2.615 8.448 1.00 0.18 H new ATOM 0 HG2 PRO A 462 11.384 -1.206 7.200 1.00 0.13 H new ATOM 0 HG3 PRO A 462 11.496 -2.858 7.775 1.00 0.13 H new ATOM 0 HD2 PRO A 462 10.898 -1.873 4.985 1.00 0.09 H new ATOM 0 HD3 PRO A 462 11.947 -3.184 5.487 1.00 0.09 H new ATOM 1911 N VAL A 463 6.905 -1.581 5.818 1.00 0.09 N ATOM 1912 CA VAL A 463 6.231 -0.587 5.020 1.00 0.09 C ATOM 1913 C VAL A 463 5.877 0.567 5.910 1.00 0.08 C ATOM 1914 O VAL A 463 5.768 0.428 7.123 1.00 0.10 O ATOM 1915 CB VAL A 463 4.949 -1.090 4.334 1.00 0.19 C ATOM 1916 CG1 VAL A 463 5.162 -2.459 3.720 1.00 0.57 C ATOM 1917 CG2 VAL A 463 3.808 -1.078 5.320 1.00 0.54 C ATOM 0 H VAL A 463 6.439 -1.829 6.691 1.00 0.09 H new ATOM 0 HA VAL A 463 6.917 -0.306 4.221 1.00 0.09 H new ATOM 0 HB VAL A 463 4.693 -0.419 3.514 1.00 0.19 H new ATOM 0 HG11 VAL A 463 4.240 -2.791 3.242 1.00 0.57 H new ATOM 0 HG12 VAL A 463 5.957 -2.405 2.977 1.00 0.57 H new ATOM 0 HG13 VAL A 463 5.442 -3.168 4.499 1.00 0.57 H new ATOM 0 HG21 VAL A 463 2.901 -1.435 4.832 1.00 0.54 H new ATOM 0 HG22 VAL A 463 4.047 -1.729 6.161 1.00 0.54 H new ATOM 0 HG23 VAL A 463 3.650 -0.062 5.681 1.00 0.54 H new ATOM 1927 N LEU A 464 5.762 1.706 5.335 1.00 0.07 N ATOM 1928 CA LEU A 464 5.326 2.844 6.052 1.00 0.07 C ATOM 1929 C LEU A 464 4.306 3.547 5.247 1.00 0.07 C ATOM 1930 O LEU A 464 4.244 3.394 4.038 1.00 0.09 O ATOM 1931 CB LEU A 464 6.505 3.743 6.352 1.00 0.10 C ATOM 1932 CG LEU A 464 7.435 3.191 7.381 1.00 0.10 C ATOM 1933 CD1 LEU A 464 8.506 2.403 6.709 1.00 0.09 C ATOM 1934 CD2 LEU A 464 8.009 4.318 8.193 1.00 0.13 C ATOM 0 H LEU A 464 5.968 1.876 4.351 1.00 0.07 H new ATOM 0 HA LEU A 464 4.883 2.548 7.003 1.00 0.07 H new ATOM 0 HB2 LEU A 464 7.060 3.919 5.431 1.00 0.10 H new ATOM 0 HB3 LEU A 464 6.135 4.711 6.691 1.00 0.10 H new ATOM 0 HG LEU A 464 6.897 2.526 8.057 1.00 0.10 H new ATOM 0 HD11 LEU A 464 9.186 1.999 7.459 1.00 0.09 H new ATOM 0 HD12 LEU A 464 8.057 1.584 6.148 1.00 0.09 H new ATOM 0 HD13 LEU A 464 9.060 3.049 6.028 1.00 0.09 H new ATOM 0 HD21 LEU A 464 8.688 3.916 8.945 1.00 0.13 H new ATOM 0 HD22 LEU A 464 8.554 4.998 7.538 1.00 0.13 H new ATOM 0 HD23 LEU A 464 7.202 4.859 8.686 1.00 0.13 H new ATOM 1946 N VAL A 465 3.434 4.189 5.947 1.00 0.06 N ATOM 1947 CA VAL A 465 2.605 5.208 5.396 1.00 0.05 C ATOM 1948 C VAL A 465 2.556 6.259 6.473 1.00 0.08 C ATOM 1949 O VAL A 465 2.574 5.891 7.632 1.00 0.10 O ATOM 1950 CB VAL A 465 1.196 4.685 5.002 1.00 0.07 C ATOM 1951 CG1 VAL A 465 1.233 3.208 4.678 1.00 0.09 C ATOM 1952 CG2 VAL A 465 0.196 4.969 6.061 1.00 0.08 C ATOM 0 H VAL A 465 3.274 4.017 6.940 1.00 0.06 H new ATOM 0 HA VAL A 465 3.000 5.599 4.458 1.00 0.05 H new ATOM 0 HB VAL A 465 0.889 5.220 4.103 1.00 0.07 H new ATOM 0 HG11 VAL A 465 0.233 2.870 4.406 1.00 0.09 H new ATOM 0 HG12 VAL A 465 1.914 3.035 3.844 1.00 0.09 H new ATOM 0 HG13 VAL A 465 1.579 2.653 5.550 1.00 0.09 H new ATOM 0 HG21 VAL A 465 -0.778 4.590 5.753 1.00 0.08 H new ATOM 0 HG22 VAL A 465 0.499 4.481 6.987 1.00 0.08 H new ATOM 0 HG23 VAL A 465 0.132 6.045 6.222 1.00 0.08 H new ATOM 1962 N PHE A 466 2.609 7.526 6.108 1.00 0.10 N ATOM 1963 CA PHE A 466 2.603 8.627 7.065 1.00 0.15 C ATOM 1964 C PHE A 466 2.722 9.970 6.359 1.00 0.21 C ATOM 1965 O PHE A 466 1.698 10.418 5.798 1.00 1.09 O ATOM 1966 CB PHE A 466 3.680 8.456 8.167 1.00 0.17 C ATOM 1967 CG PHE A 466 5.126 8.363 7.734 1.00 0.20 C ATOM 1968 CD1 PHE A 466 5.559 7.282 7.021 1.00 0.14 C ATOM 1969 CD2 PHE A 466 6.047 9.347 8.067 1.00 0.36 C ATOM 1970 CE1 PHE A 466 6.900 7.160 6.635 1.00 0.20 C ATOM 1971 CE2 PHE A 466 7.376 9.236 7.680 1.00 0.41 C ATOM 1972 CZ PHE A 466 7.795 8.133 6.961 1.00 0.30 C ATOM 1973 OXT PHE A 466 3.807 10.580 6.381 1.00 1.06 O ATOM 0 H PHE A 466 2.658 7.827 5.135 1.00 0.10 H new ATOM 0 HA PHE A 466 1.639 8.605 7.573 1.00 0.15 H new ATOM 0 HB2 PHE A 466 3.590 9.296 8.856 1.00 0.17 H new ATOM 0 HB3 PHE A 466 3.441 7.555 8.731 1.00 0.17 H new ATOM 0 HD1 PHE A 466 4.856 6.508 6.750 1.00 0.14 H new ATOM 0 HD2 PHE A 466 5.726 10.209 8.634 1.00 0.36 H new ATOM 0 HE1 PHE A 466 7.224 6.293 6.078 1.00 0.20 H new ATOM 0 HE2 PHE A 466 8.081 10.011 7.941 1.00 0.41 H new ATOM 0 HZ PHE A 466 8.828 8.043 6.659 1.00 0.30 H new