USER MOD reduce.3.24.130724 H: found=0, std=0, add=954, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 956 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 -172:sc= -6.76! (180deg=-7.13!) USER MOD Set 1.2: A 450 MET CE :methyl 150:sc= -3.81! (180deg=-6.09!) USER MOD Set 2.1: A 421 HIS : no HD1:sc= -5.15! C(o=-15!,f=-17!) USER MOD Set 2.2: A 426 GLN : amide:sc= -6.55! C(o=-15!,f=-21!) USER MOD Set 2.3: A 439 SER OG : rot -60:sc= -0.453 USER MOD Set 2.4: A 442 CYS SG : rot -124:sc= -0.0713 USER MOD Set 2.5: A 444 ASN : amide:sc= -3.24! C(o=-15!,f=-17!) USER MOD Set 3.1: A 370 SER OG : rot 50:sc= 0.241 USER MOD Set 3.2: A 377 THR OG1 : rot -120:sc= 0.898 USER MOD Set 4.1: A 372 LYS NZ :NH3+ 159:sc= 0.463 (180deg=0.271) USER MOD Set 4.2: A 374 THR OG1 : rot 178:sc= -2.64! USER MOD Set 4.3: A 375 THR OG1 : rot 65:sc= -0.0406 USER MOD Set 4.4: A 397 ASN : amide:sc= -0.562! K(o=-5.9!,f=-8.7) USER MOD Set 4.5: A 401 THR OG1 : rot 180:sc= -2.75! USER MOD Set 4.6: A 440 HIS : no HD1:sc= -0.372 K(o=-5.9,f=-11!) USER MOD Single : A 339 HIS : no HD1:sc= -1.68 K(o=-1.7,f=-0.4) USER MOD Single : A 340 MET CE :methyl -163:sc= -0.31 (180deg=-1.18) USER MOD Single : A 343 THR OG1 : rot 180:sc= 0 USER MOD Single : A 344 TYR OH : rot 74:sc= 1.11 USER MOD Single : A 351 ASN : amide:sc= 0.185 X(o=0.18,f=0) USER MOD Single : A 352 GLN : amide:sc= -5.99! C(o=-6!,f=-6.8!) USER MOD Single : A 353 HIS : no HE2:sc= -2.97! C(o=-3!,f=-6.3!) USER MOD Single : A 354 MET CE :methyl -176:sc= -6.06! (180deg=-6.31!) USER MOD Single : A 356 TYR OH : rot 180:sc= 0 USER MOD Single : A 357 TYR OH : rot 45:sc= 0.233 USER MOD Single : A 358 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 361 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 366 THR OG1 : rot 70:sc= -2.37! USER MOD Single : A 383 TYR OH : rot 180:sc= 0 USER MOD Single : A 386 ASN : amide:sc= -1.49 K(o=-1.5,f=-0.25) USER MOD Single : A 387 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 392 THR OG1 : rot 180:sc= 0 USER MOD Single : A 394 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 396 THR OG1 : rot 180:sc= 0.0366 USER MOD Single : A 403 TYR OH : rot 30:sc= -1.15 USER MOD Single : A 405 SER OG : rot 54:sc= -4.58! USER MOD Single : A 408 ASN : amide:sc= -1.03! K(o=-1!,f=-0.26) USER MOD Single : A 409 TYR OH : rot 180:sc= 0 USER MOD Single : A 416 THR OG1 : rot -89:sc= 1.21 USER MOD Single : A 423 SER OG : rot -64:sc= -2.05 USER MOD Single : A 429 TYR OH : rot 24:sc= -0.307 USER MOD Single : A 435 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 436 THR OG1 : rot -34:sc= 0.599 USER MOD Single : A 445 THR OG1 : rot -115:sc= 1.01 USER MOD Single : A 448 SER OG : rot 180:sc= 0.0213 USER MOD Single : A 451 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 456 MET CE :methyl 178:sc= -4.4! (180deg=-4.57!) USER MOD Single : A 459 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 461 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 338 -14.701 -10.428 2.747 1.00 3.94 N ATOM 2 CA GLY A 338 -15.016 -11.212 3.969 1.00 3.08 C ATOM 3 C GLY A 338 -14.415 -10.597 5.218 1.00 2.42 C ATOM 4 O GLY A 338 -14.934 -10.778 6.321 1.00 2.77 O ATOM 0 HA2 GLY A 338 -16.098 -11.281 4.085 1.00 3.08 H new ATOM 0 HA3 GLY A 338 -14.642 -12.229 3.852 1.00 3.08 H new ATOM 10 N HIS A 339 -13.323 -9.868 5.051 1.00 1.85 N ATOM 11 CA HIS A 339 -12.674 -9.192 6.163 1.00 1.24 C ATOM 12 C HIS A 339 -13.274 -7.812 6.342 1.00 1.07 C ATOM 13 O HIS A 339 -12.808 -6.841 5.760 1.00 1.60 O ATOM 14 CB HIS A 339 -11.175 -9.103 5.917 1.00 1.08 C ATOM 15 CG HIS A 339 -10.351 -8.597 7.067 1.00 0.56 C ATOM 16 ND1 HIS A 339 -9.095 -9.089 7.352 1.00 0.65 N ATOM 17 CD2 HIS A 339 -10.575 -7.611 7.969 1.00 1.00 C ATOM 18 CE1 HIS A 339 -8.585 -8.425 8.369 1.00 1.30 C ATOM 19 NE2 HIS A 339 -9.461 -7.523 8.765 1.00 1.60 N ATOM 0 H HIS A 339 -12.865 -9.729 4.150 1.00 1.85 H new ATOM 0 HA HIS A 339 -12.836 -9.763 7.078 1.00 1.24 H new ATOM 0 HB2 HIS A 339 -10.812 -10.093 5.643 1.00 1.08 H new ATOM 0 HB3 HIS A 339 -11.005 -8.452 5.059 1.00 1.08 H new ATOM 0 HD2 HIS A 339 -11.466 -7.006 8.047 1.00 1.00 H new ATOM 0 HE1 HIS A 339 -7.611 -8.592 8.806 1.00 1.30 H new ATOM 0 HE2 HIS A 339 -9.332 -6.868 9.536 1.00 1.60 H new ATOM 28 N MET A 340 -14.285 -7.766 7.195 1.00 0.83 N ATOM 29 CA MET A 340 -15.083 -6.572 7.459 1.00 0.69 C ATOM 30 C MET A 340 -16.026 -6.256 6.305 1.00 0.64 C ATOM 31 O MET A 340 -16.157 -7.031 5.358 1.00 0.83 O ATOM 32 CB MET A 340 -14.196 -5.379 7.800 1.00 0.61 C ATOM 33 CG MET A 340 -13.750 -5.359 9.236 1.00 0.72 C ATOM 34 SD MET A 340 -12.864 -3.856 9.676 1.00 1.03 S ATOM 35 CE MET A 340 -11.685 -3.813 8.341 1.00 0.58 C ATOM 0 H MET A 340 -14.583 -8.576 7.738 1.00 0.83 H new ATOM 0 HA MET A 340 -15.704 -6.782 8.330 1.00 0.69 H new ATOM 0 HB2 MET A 340 -13.318 -5.392 7.154 1.00 0.61 H new ATOM 0 HB3 MET A 340 -14.738 -4.459 7.582 1.00 0.61 H new ATOM 0 HG2 MET A 340 -14.621 -5.463 9.883 1.00 0.72 H new ATOM 0 HG3 MET A 340 -13.109 -6.220 9.424 1.00 0.72 H new ATOM 0 HE1 MET A 340 -10.869 -3.138 8.598 1.00 0.58 H new ATOM 0 HE2 MET A 340 -11.289 -4.814 8.173 1.00 0.58 H new ATOM 0 HE3 MET A 340 -12.175 -3.460 7.434 1.00 0.58 H new ATOM 45 N GLU A 341 -16.715 -5.138 6.425 1.00 0.56 N ATOM 46 CA GLU A 341 -17.705 -4.727 5.444 1.00 0.57 C ATOM 47 C GLU A 341 -17.741 -3.208 5.264 1.00 0.46 C ATOM 48 O GLU A 341 -18.480 -2.687 4.423 1.00 0.49 O ATOM 49 CB GLU A 341 -19.071 -5.226 5.871 1.00 0.73 C ATOM 50 CG GLU A 341 -19.467 -4.696 7.228 1.00 0.76 C ATOM 51 CD GLU A 341 -20.787 -5.246 7.712 1.00 0.97 C ATOM 52 OE1 GLU A 341 -20.797 -6.339 8.316 1.00 1.08 O1- ATOM 53 OE2 GLU A 341 -21.824 -4.589 7.495 1.00 1.10 O ATOM 0 H GLU A 341 -16.606 -4.488 7.204 1.00 0.56 H new ATOM 0 HA GLU A 341 -17.427 -5.162 4.484 1.00 0.57 H new ATOM 0 HB2 GLU A 341 -19.814 -4.925 5.133 1.00 0.73 H new ATOM 0 HB3 GLU A 341 -19.068 -6.316 5.894 1.00 0.73 H new ATOM 0 HG2 GLU A 341 -18.689 -4.944 7.950 1.00 0.76 H new ATOM 0 HG3 GLU A 341 -19.526 -3.608 7.184 1.00 0.76 H new ATOM 60 N ASP A 342 -16.967 -2.518 6.076 1.00 0.38 N ATOM 61 CA ASP A 342 -16.731 -1.077 5.927 1.00 0.32 C ATOM 62 C ASP A 342 -16.214 -0.717 4.554 1.00 0.25 C ATOM 63 O ASP A 342 -15.940 -1.564 3.701 1.00 0.27 O ATOM 64 CB ASP A 342 -15.709 -0.541 6.905 1.00 0.34 C ATOM 65 CG ASP A 342 -16.271 -0.239 8.278 1.00 0.62 C ATOM 66 OD1 ASP A 342 -16.794 0.879 8.473 1.00 0.98 O1- ATOM 67 OD2 ASP A 342 -16.173 -1.102 9.173 1.00 0.79 O ATOM 0 H ASP A 342 -16.476 -2.934 6.867 1.00 0.38 H new ATOM 0 HA ASP A 342 -17.709 -0.633 6.111 1.00 0.32 H new ATOM 0 HB2 ASP A 342 -14.902 -1.267 7.005 1.00 0.34 H new ATOM 0 HB3 ASP A 342 -15.271 0.369 6.495 1.00 0.34 H new ATOM 72 N THR A 343 -16.203 0.565 4.320 1.00 0.23 N ATOM 73 CA THR A 343 -15.544 1.105 3.178 1.00 0.19 C ATOM 74 C THR A 343 -14.120 1.445 3.583 1.00 0.13 C ATOM 75 O THR A 343 -13.897 2.236 4.495 1.00 0.16 O ATOM 76 CB THR A 343 -16.267 2.373 2.710 1.00 0.24 C ATOM 77 OG1 THR A 343 -17.682 2.194 2.856 1.00 0.45 O ATOM 78 CG2 THR A 343 -15.959 2.662 1.265 1.00 0.20 C ATOM 0 H THR A 343 -16.651 1.259 4.918 1.00 0.23 H new ATOM 0 HA THR A 343 -15.547 0.384 2.360 1.00 0.19 H new ATOM 0 HB THR A 343 -15.925 3.210 3.319 1.00 0.24 H new ATOM 0 HG1 THR A 343 -18.147 3.004 2.559 1.00 0.45 H new ATOM 0 HG21 THR A 343 -16.483 3.566 0.955 1.00 0.20 H new ATOM 0 HG22 THR A 343 -14.885 2.805 1.143 1.00 0.20 H new ATOM 0 HG23 THR A 343 -16.285 1.824 0.649 1.00 0.20 H new ATOM 86 N TYR A 344 -13.176 0.843 2.889 1.00 0.10 N ATOM 87 CA TYR A 344 -11.772 0.965 3.199 1.00 0.07 C ATOM 88 C TYR A 344 -10.933 0.595 2.004 1.00 0.06 C ATOM 89 O TYR A 344 -11.434 0.429 0.901 1.00 0.08 O ATOM 90 CB TYR A 344 -11.374 0.035 4.341 1.00 0.08 C ATOM 91 CG TYR A 344 -11.941 -1.364 4.260 1.00 0.12 C ATOM 92 CD1 TYR A 344 -11.248 -2.358 3.603 1.00 0.14 C ATOM 93 CD2 TYR A 344 -13.158 -1.689 4.842 1.00 0.19 C ATOM 94 CE1 TYR A 344 -11.741 -3.642 3.526 1.00 0.20 C ATOM 95 CE2 TYR A 344 -13.660 -2.974 4.774 1.00 0.25 C ATOM 96 CZ TYR A 344 -13.019 -3.917 4.112 1.00 0.25 C ATOM 97 OH TYR A 344 -13.420 -5.235 4.059 1.00 0.32 O ATOM 0 H TYR A 344 -13.368 0.248 2.083 1.00 0.10 H new ATOM 0 HA TYR A 344 -11.601 2.003 3.486 1.00 0.07 H new ATOM 0 HB2 TYR A 344 -10.286 -0.032 4.371 1.00 0.08 H new ATOM 0 HB3 TYR A 344 -11.692 0.485 5.282 1.00 0.08 H new ATOM 0 HD1 TYR A 344 -10.300 -2.126 3.140 1.00 0.14 H new ATOM 0 HD2 TYR A 344 -13.722 -0.925 5.356 1.00 0.19 H new ATOM 0 HE1 TYR A 344 -11.178 -4.422 3.036 1.00 0.20 H new ATOM 0 HE2 TYR A 344 -14.590 -3.209 5.270 1.00 0.25 H new ATOM 0 HH TYR A 344 -12.908 -5.759 4.710 1.00 0.32 H new ATOM 107 N ILE A 345 -9.640 0.499 2.237 1.00 0.05 N ATOM 108 CA ILE A 345 -8.750 -0.096 1.276 1.00 0.05 C ATOM 109 C ILE A 345 -8.346 -1.465 1.787 1.00 0.05 C ATOM 110 O ILE A 345 -8.489 -1.718 2.971 1.00 0.08 O ATOM 111 CB ILE A 345 -7.487 0.744 1.039 1.00 0.06 C ATOM 112 CG1 ILE A 345 -7.815 2.217 0.979 1.00 0.07 C ATOM 113 CG2 ILE A 345 -6.858 0.314 -0.267 1.00 0.06 C ATOM 114 CD1 ILE A 345 -8.792 2.507 -0.099 1.00 0.07 C ATOM 0 H ILE A 345 -9.186 0.828 3.089 1.00 0.05 H new ATOM 0 HA ILE A 345 -9.277 -0.161 0.324 1.00 0.05 H new ATOM 0 HB ILE A 345 -6.797 0.585 1.868 1.00 0.06 H new ATOM 0 HG12 ILE A 345 -8.221 2.541 1.937 1.00 0.07 H new ATOM 0 HG13 ILE A 345 -6.902 2.789 0.809 1.00 0.07 H new ATOM 0 HG21 ILE A 345 -5.959 0.903 -0.449 1.00 0.06 H new ATOM 0 HG22 ILE A 345 -6.595 -0.743 -0.214 1.00 0.06 H new ATOM 0 HG23 ILE A 345 -7.566 0.472 -1.081 1.00 0.06 H new ATOM 0 HD11 ILE A 345 -9.008 3.575 -0.117 1.00 0.07 H new ATOM 0 HD12 ILE A 345 -8.374 2.205 -1.059 1.00 0.07 H new ATOM 0 HD13 ILE A 345 -9.713 1.954 0.086 1.00 0.07 H new ATOM 126 N GLU A 346 -7.851 -2.346 0.932 1.00 0.05 N ATOM 127 CA GLU A 346 -7.442 -3.670 1.395 1.00 0.05 C ATOM 128 C GLU A 346 -6.195 -4.124 0.699 1.00 0.05 C ATOM 129 O GLU A 346 -5.850 -3.640 -0.356 1.00 0.06 O ATOM 130 CB GLU A 346 -8.550 -4.686 1.163 1.00 0.06 C ATOM 131 CG GLU A 346 -8.737 -5.601 2.322 1.00 0.07 C ATOM 132 CD GLU A 346 -9.696 -6.752 2.062 1.00 0.09 C ATOM 133 OE1 GLU A 346 -9.427 -7.570 1.156 1.00 0.12 O ATOM 134 OE2 GLU A 346 -10.713 -6.856 2.779 1.00 0.17 O1- ATOM 0 H GLU A 346 -7.723 -2.178 -0.066 1.00 0.05 H new ATOM 0 HA GLU A 346 -7.240 -3.596 2.464 1.00 0.05 H new ATOM 0 HB2 GLU A 346 -9.484 -4.161 0.965 1.00 0.06 H new ATOM 0 HB3 GLU A 346 -8.320 -5.273 0.274 1.00 0.06 H new ATOM 0 HG2 GLU A 346 -7.768 -6.009 2.608 1.00 0.07 H new ATOM 0 HG3 GLU A 346 -9.103 -5.023 3.171 1.00 0.07 H new ATOM 141 N VAL A 347 -5.493 -5.004 1.363 1.00 0.05 N ATOM 142 CA VAL A 347 -4.252 -5.547 0.887 1.00 0.05 C ATOM 143 C VAL A 347 -4.063 -6.931 1.430 1.00 0.07 C ATOM 144 O VAL A 347 -4.296 -7.189 2.607 1.00 0.08 O ATOM 145 CB VAL A 347 -3.069 -4.713 1.376 1.00 0.06 C ATOM 146 CG1 VAL A 347 -1.766 -5.412 1.057 1.00 0.06 C ATOM 147 CG2 VAL A 347 -3.088 -3.332 0.782 1.00 0.06 C ATOM 0 H VAL A 347 -5.777 -5.371 2.272 1.00 0.05 H new ATOM 0 HA VAL A 347 -4.291 -5.548 -0.202 1.00 0.05 H new ATOM 0 HB VAL A 347 -3.156 -4.609 2.457 1.00 0.06 H new ATOM 0 HG11 VAL A 347 -0.932 -4.806 1.411 1.00 0.06 H new ATOM 0 HG12 VAL A 347 -1.744 -6.384 1.550 1.00 0.06 H new ATOM 0 HG13 VAL A 347 -1.682 -5.551 -0.021 1.00 0.06 H new ATOM 0 HG21 VAL A 347 -2.233 -2.766 1.151 1.00 0.06 H new ATOM 0 HG22 VAL A 347 -3.035 -3.402 -0.304 1.00 0.06 H new ATOM 0 HG23 VAL A 347 -4.010 -2.825 1.068 1.00 0.06 H new ATOM 157 N ASP A 348 -3.620 -7.795 0.573 1.00 0.08 N ATOM 158 CA ASP A 348 -3.225 -9.112 0.976 1.00 0.11 C ATOM 159 C ASP A 348 -1.752 -9.264 0.695 1.00 0.15 C ATOM 160 O ASP A 348 -1.325 -9.127 -0.448 1.00 0.24 O ATOM 161 CB ASP A 348 -4.058 -10.148 0.241 1.00 0.14 C ATOM 162 CG ASP A 348 -3.803 -11.582 0.678 1.00 0.18 C ATOM 163 OD1 ASP A 348 -2.639 -11.918 0.976 1.00 0.33 O ATOM 164 OD2 ASP A 348 -4.750 -12.382 0.729 1.00 0.37 O1- ATOM 0 H ASP A 348 -3.521 -7.610 -0.425 1.00 0.08 H new ATOM 0 HA ASP A 348 -3.397 -9.265 2.042 1.00 0.11 H new ATOM 0 HB2 ASP A 348 -5.113 -9.918 0.387 1.00 0.14 H new ATOM 0 HB3 ASP A 348 -3.859 -10.065 -0.827 1.00 0.14 H new ATOM 169 N LEU A 349 -0.979 -9.475 1.725 1.00 0.13 N ATOM 170 CA LEU A 349 0.456 -9.595 1.580 1.00 0.14 C ATOM 171 C LEU A 349 0.793 -10.913 0.932 1.00 0.20 C ATOM 172 O LEU A 349 1.577 -10.987 -0.014 1.00 0.32 O ATOM 173 CB LEU A 349 1.123 -9.515 2.954 1.00 0.16 C ATOM 174 CG LEU A 349 0.916 -8.229 3.731 1.00 0.14 C ATOM 175 CD1 LEU A 349 0.986 -7.041 2.829 1.00 0.14 C ATOM 176 CD2 LEU A 349 -0.396 -8.243 4.451 1.00 0.12 C ATOM 0 H LEU A 349 -1.317 -9.569 2.683 1.00 0.13 H new ATOM 0 HA LEU A 349 0.821 -8.781 0.954 1.00 0.14 H new ATOM 0 HB2 LEU A 349 0.756 -10.343 3.560 1.00 0.16 H new ATOM 0 HB3 LEU A 349 2.194 -9.666 2.823 1.00 0.16 H new ATOM 0 HG LEU A 349 1.718 -8.158 4.466 1.00 0.14 H new ATOM 0 HD11 LEU A 349 0.834 -6.132 3.412 1.00 0.14 H new ATOM 0 HD12 LEU A 349 1.964 -7.005 2.349 1.00 0.14 H new ATOM 0 HD13 LEU A 349 0.211 -7.117 2.067 1.00 0.14 H new ATOM 0 HD21 LEU A 349 -0.520 -7.310 5.000 1.00 0.12 H new ATOM 0 HD22 LEU A 349 -1.206 -8.349 3.729 1.00 0.12 H new ATOM 0 HD23 LEU A 349 -0.419 -9.080 5.149 1.00 0.12 H new ATOM 188 N GLU A 350 0.149 -11.926 1.445 1.00 0.20 N ATOM 189 CA GLU A 350 0.348 -13.295 1.026 1.00 0.24 C ATOM 190 C GLU A 350 0.041 -13.505 -0.444 1.00 0.22 C ATOM 191 O GLU A 350 0.762 -14.199 -1.156 1.00 0.31 O ATOM 192 CB GLU A 350 -0.565 -14.148 1.830 1.00 0.31 C ATOM 193 CG GLU A 350 -0.117 -14.300 3.258 1.00 0.41 C ATOM 194 CD GLU A 350 1.020 -15.285 3.436 1.00 0.84 C ATOM 195 OE1 GLU A 350 2.196 -14.877 3.320 1.00 0.96 O1- ATOM 196 OE2 GLU A 350 0.742 -16.480 3.677 1.00 1.51 O ATOM 0 H GLU A 350 -0.546 -11.824 2.184 1.00 0.20 H new ATOM 0 HA GLU A 350 1.396 -13.552 1.178 1.00 0.24 H new ATOM 0 HB2 GLU A 350 -1.566 -13.717 1.812 1.00 0.31 H new ATOM 0 HB3 GLU A 350 -0.634 -15.133 1.369 1.00 0.31 H new ATOM 0 HG2 GLU A 350 0.194 -13.327 3.638 1.00 0.41 H new ATOM 0 HG3 GLU A 350 -0.964 -14.623 3.863 1.00 0.41 H new ATOM 203 N ASN A 351 -1.089 -12.964 -0.857 1.00 0.18 N ATOM 204 CA ASN A 351 -1.583 -13.129 -2.209 1.00 0.19 C ATOM 205 C ASN A 351 -1.423 -11.834 -2.954 1.00 0.21 C ATOM 206 O ASN A 351 -2.080 -11.596 -3.971 1.00 0.35 O ATOM 207 CB ASN A 351 -3.054 -13.546 -2.203 1.00 0.27 C ATOM 208 CG ASN A 351 -3.280 -14.892 -1.551 1.00 0.48 C ATOM 209 OD1 ASN A 351 -3.188 -15.934 -2.199 1.00 0.91 O ATOM 210 ND2 ASN A 351 -3.602 -14.873 -0.268 1.00 0.39 N ATOM 0 H ASN A 351 -1.692 -12.396 -0.262 1.00 0.18 H new ATOM 0 HA ASN A 351 -1.009 -13.914 -2.701 1.00 0.19 H new ATOM 0 HB2 ASN A 351 -3.639 -12.791 -1.678 1.00 0.27 H new ATOM 0 HB3 ASN A 351 -3.422 -13.578 -3.229 1.00 0.27 H new ATOM 0 HD21 ASN A 351 -3.786 -15.747 0.225 1.00 0.39 H new ATOM 0 HD22 ASN A 351 -3.666 -13.984 0.229 1.00 0.39 H new ATOM 217 N GLN A 352 -0.530 -11.011 -2.389 1.00 0.12 N ATOM 218 CA GLN A 352 -0.051 -9.760 -2.997 1.00 0.11 C ATOM 219 C GLN A 352 -1.120 -9.066 -3.820 1.00 0.11 C ATOM 220 O GLN A 352 -1.000 -8.966 -5.042 1.00 0.18 O ATOM 221 CB GLN A 352 1.153 -9.995 -3.904 1.00 0.18 C ATOM 222 CG GLN A 352 2.355 -10.678 -3.261 1.00 0.30 C ATOM 223 CD GLN A 352 2.125 -12.138 -2.991 1.00 1.41 C ATOM 224 OE1 GLN A 352 1.410 -12.825 -3.721 1.00 2.22 O ATOM 225 NE2 GLN A 352 2.711 -12.609 -1.920 1.00 1.92 N ATOM 0 H GLN A 352 -0.111 -11.199 -1.478 1.00 0.12 H new ATOM 0 HA GLN A 352 0.229 -9.125 -2.157 1.00 0.11 H new ATOM 0 HB2 GLN A 352 0.830 -10.597 -4.753 1.00 0.18 H new ATOM 0 HB3 GLN A 352 1.477 -9.033 -4.300 1.00 0.18 H new ATOM 0 HG2 GLN A 352 3.221 -10.567 -3.913 1.00 0.30 H new ATOM 0 HG3 GLN A 352 2.594 -10.174 -2.325 1.00 0.30 H new ATOM 0 HE21 GLN A 352 3.294 -11.999 -1.348 1.00 1.92 H new ATOM 0 HE22 GLN A 352 2.585 -13.587 -1.658 1.00 1.92 H new ATOM 234 N HIS A 353 -2.126 -8.549 -3.159 1.00 0.07 N ATOM 235 CA HIS A 353 -3.243 -7.924 -3.855 1.00 0.07 C ATOM 236 C HIS A 353 -3.874 -6.856 -2.975 1.00 0.06 C ATOM 237 O HIS A 353 -4.255 -7.112 -1.848 1.00 0.07 O ATOM 238 CB HIS A 353 -4.287 -8.978 -4.204 1.00 0.08 C ATOM 239 CG HIS A 353 -5.130 -8.625 -5.398 1.00 0.09 C ATOM 240 ND1 HIS A 353 -4.768 -8.885 -6.703 1.00 0.11 N ATOM 241 CD2 HIS A 353 -6.341 -8.041 -5.466 1.00 0.12 C ATOM 242 CE1 HIS A 353 -5.734 -8.475 -7.509 1.00 0.13 C ATOM 243 NE2 HIS A 353 -6.700 -7.963 -6.784 1.00 0.13 N ATOM 0 H HIS A 353 -2.202 -8.544 -2.142 1.00 0.07 H new ATOM 0 HA HIS A 353 -2.874 -7.461 -4.770 1.00 0.07 H new ATOM 0 HB2 HIS A 353 -3.783 -9.926 -4.394 1.00 0.08 H new ATOM 0 HB3 HIS A 353 -4.938 -9.130 -3.343 1.00 0.08 H new ATOM 0 HD1 HIS A 353 -3.896 -9.323 -6.999 1.00 0.11 H new ATOM 0 HD2 HIS A 353 -6.927 -7.695 -4.627 1.00 0.12 H new ATOM 0 HE1 HIS A 353 -5.728 -8.550 -8.586 1.00 0.13 H new ATOM 252 N MET A 354 -3.943 -5.658 -3.496 1.00 0.05 N ATOM 253 CA MET A 354 -4.513 -4.532 -2.809 1.00 0.05 C ATOM 254 C MET A 354 -5.828 -4.126 -3.448 1.00 0.04 C ATOM 255 O MET A 354 -5.919 -3.922 -4.655 1.00 0.05 O ATOM 256 CB MET A 354 -3.514 -3.395 -2.855 1.00 0.05 C ATOM 257 CG MET A 354 -3.997 -2.173 -2.128 1.00 0.06 C ATOM 258 SD MET A 354 -3.724 -0.664 -3.030 1.00 0.06 S ATOM 259 CE MET A 354 -4.778 -1.046 -4.391 1.00 0.06 C ATOM 0 H MET A 354 -3.597 -5.435 -4.429 1.00 0.05 H new ATOM 0 HA MET A 354 -4.725 -4.794 -1.772 1.00 0.05 H new ATOM 0 HB2 MET A 354 -2.572 -3.726 -2.417 1.00 0.05 H new ATOM 0 HB3 MET A 354 -3.309 -3.138 -3.894 1.00 0.05 H new ATOM 0 HG2 MET A 354 -5.062 -2.278 -1.923 1.00 0.06 H new ATOM 0 HG3 MET A 354 -3.492 -2.109 -1.164 1.00 0.06 H new ATOM 0 HE1 MET A 354 -4.710 -0.254 -5.137 1.00 0.06 H new ATOM 0 HE2 MET A 354 -4.469 -1.992 -4.836 1.00 0.06 H new ATOM 0 HE3 MET A 354 -5.807 -1.129 -4.042 1.00 0.06 H new ATOM 269 N TRP A 355 -6.837 -4.028 -2.605 1.00 0.05 N ATOM 270 CA TRP A 355 -8.193 -3.731 -3.013 1.00 0.05 C ATOM 271 C TRP A 355 -8.641 -2.388 -2.528 1.00 0.05 C ATOM 272 O TRP A 355 -7.974 -1.762 -1.730 1.00 0.05 O ATOM 273 CB TRP A 355 -9.178 -4.737 -2.454 1.00 0.06 C ATOM 274 CG TRP A 355 -9.051 -6.100 -3.002 1.00 0.07 C ATOM 275 CD1 TRP A 355 -9.644 -6.563 -4.119 1.00 0.08 C ATOM 276 CD2 TRP A 355 -8.316 -7.180 -2.441 1.00 0.08 C ATOM 277 NE1 TRP A 355 -9.307 -7.867 -4.326 1.00 0.09 N ATOM 278 CE2 TRP A 355 -8.493 -8.283 -3.290 1.00 0.08 C ATOM 279 CE3 TRP A 355 -7.519 -7.317 -1.307 1.00 0.08 C ATOM 280 CZ2 TRP A 355 -7.892 -9.518 -3.028 1.00 0.10 C ATOM 281 CZ3 TRP A 355 -6.933 -8.528 -1.050 1.00 0.09 C ATOM 282 CH2 TRP A 355 -7.118 -9.619 -1.905 1.00 0.10 C ATOM 0 H TRP A 355 -6.734 -4.155 -1.598 1.00 0.05 H new ATOM 0 HA TRP A 355 -8.179 -3.762 -4.102 1.00 0.05 H new ATOM 0 HB2 TRP A 355 -9.054 -4.783 -1.372 1.00 0.06 H new ATOM 0 HB3 TRP A 355 -10.189 -4.378 -2.644 1.00 0.06 H new ATOM 0 HD1 TRP A 355 -10.293 -5.984 -4.759 1.00 0.08 H new ATOM 0 HE1 TRP A 355 -9.606 -8.441 -5.115 1.00 0.09 H new ATOM 0 HE3 TRP A 355 -7.365 -6.481 -0.641 1.00 0.08 H new ATOM 0 HZ2 TRP A 355 -8.034 -10.361 -3.688 1.00 0.10 H new ATOM 0 HZ3 TRP A 355 -6.317 -8.642 -0.171 1.00 0.09 H new ATOM 0 HH2 TRP A 355 -6.640 -10.560 -1.674 1.00 0.10 H new ATOM 293 N TYR A 356 -9.806 -1.988 -2.978 1.00 0.06 N ATOM 294 CA TYR A 356 -10.514 -0.884 -2.376 1.00 0.06 C ATOM 295 C TYR A 356 -11.875 -1.386 -2.043 1.00 0.06 C ATOM 296 O TYR A 356 -12.590 -1.847 -2.903 1.00 0.07 O ATOM 297 CB TYR A 356 -10.594 0.308 -3.301 1.00 0.06 C ATOM 298 CG TYR A 356 -11.416 1.465 -2.720 1.00 0.08 C ATOM 299 CD1 TYR A 356 -12.791 1.367 -2.532 1.00 0.18 C ATOM 300 CD2 TYR A 356 -10.823 2.663 -2.389 1.00 0.07 C ATOM 301 CE1 TYR A 356 -13.534 2.421 -2.036 1.00 0.22 C ATOM 302 CE2 TYR A 356 -11.560 3.719 -1.901 1.00 0.09 C ATOM 303 CZ TYR A 356 -12.911 3.595 -1.727 1.00 0.13 C ATOM 304 OH TYR A 356 -13.639 4.655 -1.241 1.00 0.20 O ATOM 0 H TYR A 356 -10.288 -2.416 -3.768 1.00 0.06 H new ATOM 0 HA TYR A 356 -9.988 -0.538 -1.486 1.00 0.06 H new ATOM 0 HB2 TYR A 356 -9.586 0.660 -3.519 1.00 0.06 H new ATOM 0 HB3 TYR A 356 -11.035 -0.003 -4.248 1.00 0.06 H new ATOM 0 HD1 TYR A 356 -13.291 0.442 -2.780 1.00 0.18 H new ATOM 0 HD2 TYR A 356 -9.756 2.777 -2.515 1.00 0.07 H new ATOM 0 HE1 TYR A 356 -14.600 2.316 -1.894 1.00 0.22 H new ATOM 0 HE2 TYR A 356 -11.069 4.649 -1.655 1.00 0.09 H new ATOM 0 HH TYR A 356 -13.041 5.413 -1.072 1.00 0.20 H new ATOM 314 N TYR A 357 -12.216 -1.367 -0.790 1.00 0.09 N ATOM 315 CA TYR A 357 -13.494 -1.865 -0.403 1.00 0.11 C ATOM 316 C TYR A 357 -14.482 -0.772 -0.157 1.00 0.12 C ATOM 317 O TYR A 357 -14.254 0.155 0.603 1.00 0.14 O ATOM 318 CB TYR A 357 -13.437 -2.780 0.806 1.00 0.12 C ATOM 319 CG TYR A 357 -13.036 -4.180 0.464 1.00 0.12 C ATOM 320 CD1 TYR A 357 -11.744 -4.450 0.080 1.00 0.12 C ATOM 321 CD2 TYR A 357 -13.952 -5.224 0.505 1.00 0.14 C ATOM 322 CE1 TYR A 357 -11.359 -5.717 -0.257 1.00 0.14 C ATOM 323 CE2 TYR A 357 -13.571 -6.506 0.168 1.00 0.16 C ATOM 324 CZ TYR A 357 -12.271 -6.745 -0.214 1.00 0.14 C ATOM 325 OH TYR A 357 -11.872 -8.015 -0.551 1.00 0.18 O ATOM 0 H TYR A 357 -11.634 -1.016 -0.029 1.00 0.09 H new ATOM 0 HA TYR A 357 -13.831 -2.455 -1.255 1.00 0.11 H new ATOM 0 HB2 TYR A 357 -12.731 -2.373 1.530 1.00 0.12 H new ATOM 0 HB3 TYR A 357 -14.414 -2.796 1.289 1.00 0.12 H new ATOM 0 HD1 TYR A 357 -11.022 -3.648 0.044 1.00 0.12 H new ATOM 0 HD2 TYR A 357 -14.972 -5.030 0.803 1.00 0.14 H new ATOM 0 HE1 TYR A 357 -10.340 -5.911 -0.557 1.00 0.14 H new ATOM 0 HE2 TYR A 357 -14.286 -7.314 0.204 1.00 0.16 H new ATOM 0 HH TYR A 357 -11.016 -8.215 -0.118 1.00 0.18 H new ATOM 335 N LYS A 358 -15.577 -0.930 -0.823 1.00 0.12 N ATOM 336 CA LYS A 358 -16.707 -0.122 -0.699 1.00 0.14 C ATOM 337 C LYS A 358 -17.896 -0.975 -0.983 1.00 0.17 C ATOM 338 O LYS A 358 -17.857 -1.848 -1.845 1.00 0.19 O ATOM 339 CB LYS A 358 -16.618 1.036 -1.618 1.00 0.18 C ATOM 340 CG LYS A 358 -17.911 1.618 -1.890 1.00 0.24 C ATOM 341 CD LYS A 358 -17.769 3.069 -1.750 1.00 0.28 C ATOM 342 CE LYS A 358 -17.132 3.632 -2.967 1.00 0.42 C ATOM 343 NZ LYS A 358 -17.414 5.077 -3.153 1.00 0.47 N1+ ATOM 0 H LYS A 358 -15.697 -1.678 -1.506 1.00 0.12 H new ATOM 0 HA LYS A 358 -16.788 0.291 0.306 1.00 0.14 H new ATOM 0 HB2 LYS A 358 -15.965 1.793 -1.183 1.00 0.18 H new ATOM 0 HB3 LYS A 358 -16.160 0.720 -2.555 1.00 0.18 H new ATOM 0 HG2 LYS A 358 -18.246 1.359 -2.894 1.00 0.24 H new ATOM 0 HG3 LYS A 358 -18.659 1.236 -1.196 1.00 0.24 H new ATOM 0 HD2 LYS A 358 -18.746 3.526 -1.596 1.00 0.28 H new ATOM 0 HD3 LYS A 358 -17.166 3.302 -0.872 1.00 0.28 H new ATOM 0 HE2 LYS A 358 -16.054 3.482 -2.908 1.00 0.42 H new ATOM 0 HE3 LYS A 358 -17.483 3.083 -3.841 1.00 0.42 H new ATOM 0 HZ1 LYS A 358 -16.944 5.414 -4.017 1.00 0.47 H new ATOM 0 HZ2 LYS A 358 -18.440 5.222 -3.238 1.00 0.47 H new ATOM 0 HZ3 LYS A 358 -17.056 5.609 -2.334 1.00 0.47 H new ATOM 357 N ASP A 359 -18.920 -0.745 -0.196 1.00 0.23 N ATOM 358 CA ASP A 359 -20.173 -1.446 -0.320 1.00 0.30 C ATOM 359 C ASP A 359 -19.999 -2.848 0.170 1.00 0.27 C ATOM 360 O ASP A 359 -20.831 -3.727 -0.037 1.00 0.33 O ATOM 361 CB ASP A 359 -20.641 -1.430 -1.760 1.00 0.34 C ATOM 362 CG ASP A 359 -22.131 -1.208 -1.890 1.00 0.44 C ATOM 363 OD1 ASP A 359 -22.586 -0.061 -1.702 1.00 0.49 O1- ATOM 364 OD2 ASP A 359 -22.858 -2.184 -2.178 1.00 0.60 O ATOM 0 H ASP A 359 -18.905 -0.057 0.557 1.00 0.23 H new ATOM 0 HA ASP A 359 -20.934 -0.951 0.284 1.00 0.30 H new ATOM 0 HB2 ASP A 359 -20.113 -0.644 -2.300 1.00 0.34 H new ATOM 0 HB3 ASP A 359 -20.377 -2.375 -2.234 1.00 0.34 H new ATOM 369 N GLY A 360 -18.895 -3.002 0.886 1.00 0.22 N ATOM 370 CA GLY A 360 -18.526 -4.265 1.437 1.00 0.21 C ATOM 371 C GLY A 360 -17.940 -5.168 0.397 1.00 0.19 C ATOM 372 O GLY A 360 -17.818 -6.380 0.570 1.00 0.23 O ATOM 0 H GLY A 360 -18.241 -2.247 1.092 1.00 0.22 H new ATOM 0 HA2 GLY A 360 -17.804 -4.116 2.239 1.00 0.21 H new ATOM 0 HA3 GLY A 360 -19.402 -4.739 1.880 1.00 0.21 H new ATOM 376 N LYS A 361 -17.557 -4.524 -0.657 1.00 0.16 N ATOM 377 CA LYS A 361 -17.192 -5.118 -1.900 1.00 0.17 C ATOM 378 C LYS A 361 -16.000 -4.336 -2.400 1.00 0.13 C ATOM 379 O LYS A 361 -15.587 -3.392 -1.741 1.00 0.15 O ATOM 380 CB LYS A 361 -18.418 -4.968 -2.780 1.00 0.22 C ATOM 381 CG LYS A 361 -18.215 -5.013 -4.254 1.00 0.32 C ATOM 382 CD LYS A 361 -17.758 -6.363 -4.757 1.00 0.55 C ATOM 383 CE LYS A 361 -18.317 -7.460 -3.918 1.00 0.52 C ATOM 384 NZ LYS A 361 -18.082 -8.812 -4.492 1.00 0.68 N1+ ATOM 0 H LYS A 361 -17.487 -3.507 -0.673 1.00 0.16 H new ATOM 0 HA LYS A 361 -16.911 -6.171 -1.860 1.00 0.17 H new ATOM 0 HB2 LYS A 361 -19.122 -5.756 -2.513 1.00 0.22 H new ATOM 0 HB3 LYS A 361 -18.894 -4.019 -2.535 1.00 0.22 H new ATOM 0 HG2 LYS A 361 -19.148 -4.746 -4.750 1.00 0.32 H new ATOM 0 HG3 LYS A 361 -17.478 -4.261 -4.535 1.00 0.32 H new ATOM 0 HD2 LYS A 361 -18.072 -6.495 -5.792 1.00 0.55 H new ATOM 0 HD3 LYS A 361 -16.669 -6.410 -4.746 1.00 0.55 H new ATOM 0 HE2 LYS A 361 -17.872 -7.412 -2.924 1.00 0.52 H new ATOM 0 HE3 LYS A 361 -19.389 -7.305 -3.795 1.00 0.52 H new ATOM 0 HZ1 LYS A 361 -18.493 -9.532 -3.864 1.00 0.68 H new ATOM 0 HZ2 LYS A 361 -18.529 -8.874 -5.429 1.00 0.68 H new ATOM 0 HZ3 LYS A 361 -17.059 -8.977 -4.585 1.00 0.68 H new ATOM 398 N VAL A 362 -15.427 -4.688 -3.519 1.00 0.10 N ATOM 399 CA VAL A 362 -14.291 -3.928 -3.958 1.00 0.09 C ATOM 400 C VAL A 362 -14.612 -3.048 -5.103 1.00 0.09 C ATOM 401 O VAL A 362 -15.334 -3.378 -6.046 1.00 0.11 O ATOM 402 CB VAL A 362 -13.010 -4.703 -4.261 1.00 0.18 C ATOM 403 CG1 VAL A 362 -12.734 -5.729 -3.210 1.00 0.53 C ATOM 404 CG2 VAL A 362 -13.006 -5.304 -5.633 1.00 0.52 C ATOM 0 H VAL A 362 -15.712 -5.461 -4.120 1.00 0.10 H new ATOM 0 HA VAL A 362 -14.065 -3.339 -3.069 1.00 0.09 H new ATOM 0 HB VAL A 362 -12.196 -3.978 -4.243 1.00 0.18 H new ATOM 0 HG11 VAL A 362 -11.816 -6.263 -3.455 1.00 0.53 H new ATOM 0 HG12 VAL A 362 -12.621 -5.238 -2.243 1.00 0.53 H new ATOM 0 HG13 VAL A 362 -13.563 -6.435 -3.164 1.00 0.53 H new ATOM 0 HG21 VAL A 362 -12.071 -5.842 -5.792 1.00 0.52 H new ATOM 0 HG22 VAL A 362 -13.844 -5.995 -5.730 1.00 0.52 H new ATOM 0 HG23 VAL A 362 -13.100 -4.513 -6.377 1.00 0.52 H new ATOM 414 N ALA A 363 -14.047 -1.915 -4.939 1.00 0.09 N ATOM 415 CA ALA A 363 -14.082 -0.858 -5.858 1.00 0.10 C ATOM 416 C ALA A 363 -12.859 -0.929 -6.712 1.00 0.10 C ATOM 417 O ALA A 363 -12.824 -0.447 -7.844 1.00 0.12 O ATOM 418 CB ALA A 363 -14.044 0.391 -5.051 1.00 0.11 C ATOM 0 H ALA A 363 -13.512 -1.691 -4.100 1.00 0.09 H new ATOM 0 HA ALA A 363 -14.966 -0.896 -6.495 1.00 0.10 H new ATOM 0 HB1 ALA A 363 -14.069 1.255 -5.716 1.00 0.11 H new ATOM 0 HB2 ALA A 363 -14.907 0.420 -4.385 1.00 0.11 H new ATOM 0 HB3 ALA A 363 -13.129 0.415 -4.460 1.00 0.11 H new ATOM 424 N LEU A 364 -11.849 -1.553 -6.140 1.00 0.08 N ATOM 425 CA LEU A 364 -10.561 -1.563 -6.736 1.00 0.07 C ATOM 426 C LEU A 364 -9.828 -2.809 -6.292 1.00 0.06 C ATOM 427 O LEU A 364 -10.140 -3.378 -5.250 1.00 0.08 O ATOM 428 CB LEU A 364 -9.791 -0.301 -6.378 1.00 0.06 C ATOM 429 CG LEU A 364 -8.838 0.119 -7.469 1.00 0.07 C ATOM 430 CD1 LEU A 364 -9.526 0.958 -8.509 1.00 0.07 C ATOM 431 CD2 LEU A 364 -7.649 0.856 -6.946 1.00 0.06 C ATOM 0 H LEU A 364 -11.913 -2.059 -5.256 1.00 0.08 H new ATOM 0 HA LEU A 364 -10.656 -1.578 -7.822 1.00 0.07 H new ATOM 0 HB2 LEU A 364 -10.495 0.508 -6.183 1.00 0.06 H new ATOM 0 HB3 LEU A 364 -9.233 -0.468 -5.456 1.00 0.06 H new ATOM 0 HG LEU A 364 -8.487 -0.806 -7.926 1.00 0.07 H new ATOM 0 HD11 LEU A 364 -8.809 1.243 -9.279 1.00 0.07 H new ATOM 0 HD12 LEU A 364 -10.336 0.386 -8.961 1.00 0.07 H new ATOM 0 HD13 LEU A 364 -9.932 1.855 -8.042 1.00 0.07 H new ATOM 0 HD21 LEU A 364 -6.999 1.133 -7.776 1.00 0.06 H new ATOM 0 HD22 LEU A 364 -7.978 1.756 -6.427 1.00 0.06 H new ATOM 0 HD23 LEU A 364 -7.101 0.218 -6.253 1.00 0.06 H new ATOM 443 N GLU A 365 -8.887 -3.236 -7.099 1.00 0.07 N ATOM 444 CA GLU A 365 -8.158 -4.484 -6.880 1.00 0.07 C ATOM 445 C GLU A 365 -6.957 -4.523 -7.771 1.00 0.07 C ATOM 446 O GLU A 365 -7.076 -4.400 -8.988 1.00 0.09 O ATOM 447 CB GLU A 365 -8.976 -5.731 -7.195 1.00 0.09 C ATOM 448 CG GLU A 365 -10.365 -5.448 -7.727 1.00 0.22 C ATOM 449 CD GLU A 365 -10.866 -6.530 -8.652 1.00 0.26 C ATOM 450 OE1 GLU A 365 -11.311 -7.583 -8.155 1.00 0.61 O ATOM 451 OE2 GLU A 365 -10.822 -6.330 -9.883 1.00 0.60 O1- ATOM 0 H GLU A 365 -8.596 -2.731 -7.936 1.00 0.07 H new ATOM 0 HA GLU A 365 -7.899 -4.495 -5.821 1.00 0.07 H new ATOM 0 HB2 GLU A 365 -8.435 -6.331 -7.927 1.00 0.09 H new ATOM 0 HB3 GLU A 365 -9.062 -6.333 -6.290 1.00 0.09 H new ATOM 0 HG2 GLU A 365 -11.056 -5.343 -6.890 1.00 0.22 H new ATOM 0 HG3 GLU A 365 -10.359 -4.496 -8.258 1.00 0.22 H new ATOM 458 N THR A 366 -5.808 -4.673 -7.184 1.00 0.06 N ATOM 459 CA THR A 366 -4.626 -4.865 -7.954 1.00 0.06 C ATOM 460 C THR A 366 -3.641 -5.747 -7.237 1.00 0.06 C ATOM 461 O THR A 366 -3.772 -6.022 -6.055 1.00 0.07 O ATOM 462 CB THR A 366 -4.005 -3.526 -8.294 1.00 0.07 C ATOM 463 OG1 THR A 366 -2.767 -3.707 -8.963 1.00 0.09 O ATOM 464 CG2 THR A 366 -3.813 -2.721 -7.041 1.00 0.07 C ATOM 0 H THR A 366 -5.668 -4.665 -6.174 1.00 0.06 H new ATOM 0 HA THR A 366 -4.900 -5.370 -8.880 1.00 0.06 H new ATOM 0 HB THR A 366 -4.676 -2.986 -8.962 1.00 0.07 H new ATOM 0 HG1 THR A 366 -2.929 -4.066 -9.860 1.00 0.09 H new ATOM 0 HG21 THR A 366 -3.366 -1.759 -7.292 1.00 0.07 H new ATOM 0 HG22 THR A 366 -4.778 -2.559 -6.561 1.00 0.07 H new ATOM 0 HG23 THR A 366 -3.155 -3.260 -6.359 1.00 0.07 H new ATOM 472 N ASP A 367 -2.670 -6.180 -7.980 1.00 0.07 N ATOM 473 CA ASP A 367 -1.569 -6.928 -7.465 1.00 0.10 C ATOM 474 C ASP A 367 -0.576 -5.942 -6.939 1.00 0.10 C ATOM 475 O ASP A 367 -0.478 -4.820 -7.438 1.00 0.11 O ATOM 476 CB ASP A 367 -0.951 -7.745 -8.577 1.00 0.15 C ATOM 477 CG ASP A 367 -1.637 -9.080 -8.785 1.00 1.14 C ATOM 478 OD1 ASP A 367 -2.479 -9.468 -7.945 1.00 1.88 O ATOM 479 OD2 ASP A 367 -1.337 -9.754 -9.796 1.00 1.54 O1- ATOM 0 H ASP A 367 -2.621 -6.018 -8.986 1.00 0.07 H new ATOM 0 HA ASP A 367 -1.888 -7.609 -6.676 1.00 0.10 H new ATOM 0 HB2 ASP A 367 -0.991 -7.174 -9.505 1.00 0.15 H new ATOM 0 HB3 ASP A 367 0.102 -7.915 -8.353 1.00 0.15 H new ATOM 484 N ILE A 368 0.111 -6.341 -5.913 1.00 0.09 N ATOM 485 CA ILE A 368 1.062 -5.480 -5.241 1.00 0.09 C ATOM 486 C ILE A 368 2.258 -6.260 -4.744 1.00 0.09 C ATOM 487 O ILE A 368 2.409 -7.445 -5.023 1.00 0.11 O ATOM 488 CB ILE A 368 0.413 -4.774 -4.056 1.00 0.08 C ATOM 489 CG1 ILE A 368 -0.281 -5.811 -3.192 1.00 0.08 C ATOM 490 CG2 ILE A 368 -0.545 -3.694 -4.531 1.00 0.08 C ATOM 491 CD1 ILE A 368 0.472 -6.128 -1.928 1.00 0.11 C ATOM 0 H ILE A 368 0.035 -7.275 -5.509 1.00 0.09 H new ATOM 0 HA ILE A 368 1.394 -4.743 -5.972 1.00 0.09 H new ATOM 0 HB ILE A 368 1.174 -4.273 -3.458 1.00 0.08 H new ATOM 0 HG12 ILE A 368 -1.277 -5.452 -2.934 1.00 0.08 H new ATOM 0 HG13 ILE A 368 -0.412 -6.727 -3.769 1.00 0.08 H new ATOM 0 HG21 ILE A 368 -0.997 -3.203 -3.669 1.00 0.08 H new ATOM 0 HG22 ILE A 368 0.000 -2.959 -5.123 1.00 0.08 H new ATOM 0 HG23 ILE A 368 -1.327 -4.144 -5.143 1.00 0.08 H new ATOM 0 HD11 ILE A 368 -0.077 -6.876 -1.355 1.00 0.11 H new ATOM 0 HD12 ILE A 368 1.459 -6.516 -2.180 1.00 0.11 H new ATOM 0 HD13 ILE A 368 0.580 -5.222 -1.332 1.00 0.11 H new ATOM 503 N VAL A 369 3.092 -5.578 -3.991 1.00 0.09 N ATOM 504 CA VAL A 369 4.239 -6.188 -3.347 1.00 0.09 C ATOM 505 C VAL A 369 4.624 -5.349 -2.139 1.00 0.09 C ATOM 506 O VAL A 369 4.910 -4.158 -2.254 1.00 0.11 O ATOM 507 CB VAL A 369 5.442 -6.415 -4.309 1.00 0.10 C ATOM 508 CG1 VAL A 369 5.379 -5.520 -5.524 1.00 0.10 C ATOM 509 CG2 VAL A 369 6.765 -6.209 -3.601 1.00 0.12 C ATOM 0 H VAL A 369 2.995 -4.580 -3.806 1.00 0.09 H new ATOM 0 HA VAL A 369 3.955 -7.189 -3.023 1.00 0.09 H new ATOM 0 HB VAL A 369 5.372 -7.451 -4.642 1.00 0.10 H new ATOM 0 HG11 VAL A 369 6.239 -5.715 -6.165 1.00 0.10 H new ATOM 0 HG12 VAL A 369 4.462 -5.721 -6.077 1.00 0.10 H new ATOM 0 HG13 VAL A 369 5.391 -4.477 -5.208 1.00 0.10 H new ATOM 0 HG21 VAL A 369 7.583 -6.376 -4.302 1.00 0.12 H new ATOM 0 HG22 VAL A 369 6.818 -5.190 -3.218 1.00 0.12 H new ATOM 0 HG23 VAL A 369 6.848 -6.913 -2.773 1.00 0.12 H new ATOM 519 N SER A 370 4.553 -5.967 -0.978 1.00 0.09 N ATOM 520 CA SER A 370 4.644 -5.247 0.273 1.00 0.10 C ATOM 521 C SER A 370 5.421 -6.018 1.327 1.00 0.10 C ATOM 522 O SER A 370 5.359 -7.239 1.381 1.00 0.10 O ATOM 523 CB SER A 370 3.245 -5.001 0.780 1.00 0.12 C ATOM 524 OG SER A 370 3.260 -4.671 2.146 1.00 0.70 O ATOM 0 H SER A 370 4.432 -6.975 -0.876 1.00 0.09 H new ATOM 0 HA SER A 370 5.175 -4.313 0.090 1.00 0.10 H new ATOM 0 HB2 SER A 370 2.784 -4.193 0.211 1.00 0.12 H new ATOM 0 HB3 SER A 370 2.635 -5.890 0.623 1.00 0.12 H new ATOM 0 HG SER A 370 3.916 -3.960 2.304 1.00 0.70 H new ATOM 530 N GLY A 371 6.109 -5.282 2.185 1.00 0.09 N ATOM 531 CA GLY A 371 6.574 -5.846 3.424 1.00 0.10 C ATOM 532 C GLY A 371 7.697 -6.867 3.332 1.00 0.11 C ATOM 533 O GLY A 371 7.591 -7.906 3.970 1.00 0.13 O ATOM 0 H GLY A 371 6.352 -4.302 2.041 1.00 0.09 H new ATOM 0 HA2 GLY A 371 6.908 -5.030 4.065 1.00 0.10 H new ATOM 0 HA3 GLY A 371 5.727 -6.317 3.923 1.00 0.10 H new ATOM 537 N LYS A 372 8.742 -6.603 2.540 1.00 0.11 N ATOM 538 CA LYS A 372 9.807 -7.560 2.313 1.00 0.14 C ATOM 539 C LYS A 372 10.255 -8.167 3.623 1.00 0.16 C ATOM 540 O LYS A 372 10.262 -7.504 4.644 1.00 0.19 O ATOM 541 CB LYS A 372 10.974 -6.847 1.660 1.00 0.17 C ATOM 542 CG LYS A 372 11.510 -5.696 2.459 1.00 0.22 C ATOM 543 CD LYS A 372 12.975 -5.840 2.570 1.00 0.30 C ATOM 544 CE LYS A 372 13.710 -4.602 2.126 1.00 0.47 C ATOM 545 NZ LYS A 372 15.185 -4.749 2.250 1.00 0.48 N1+ ATOM 0 H LYS A 372 8.864 -5.720 2.044 1.00 0.11 H new ATOM 0 HA LYS A 372 9.444 -8.358 1.665 1.00 0.14 H new ATOM 0 HB2 LYS A 372 11.777 -7.565 1.492 1.00 0.17 H new ATOM 0 HB3 LYS A 372 10.662 -6.483 0.681 1.00 0.17 H new ATOM 0 HG2 LYS A 372 11.258 -4.751 1.977 1.00 0.22 H new ATOM 0 HG3 LYS A 372 11.056 -5.679 3.450 1.00 0.22 H new ATOM 0 HD2 LYS A 372 13.238 -6.064 3.604 1.00 0.30 H new ATOM 0 HD3 LYS A 372 13.301 -6.688 1.968 1.00 0.30 H new ATOM 0 HE2 LYS A 372 13.454 -4.382 1.089 1.00 0.47 H new ATOM 0 HE3 LYS A 372 13.380 -3.752 2.723 1.00 0.47 H new ATOM 0 HZ1 LYS A 372 15.656 -4.060 1.629 1.00 0.48 H new ATOM 0 HZ2 LYS A 372 15.469 -4.578 3.236 1.00 0.48 H new ATOM 0 HZ3 LYS A 372 15.462 -5.712 1.972 1.00 0.48 H new ATOM 559 N PRO A 373 10.606 -9.446 3.574 1.00 0.18 N ATOM 560 CA PRO A 373 10.914 -10.296 4.731 1.00 0.20 C ATOM 561 C PRO A 373 11.655 -9.613 5.890 1.00 0.20 C ATOM 562 O PRO A 373 11.508 -10.006 7.050 1.00 0.22 O ATOM 563 CB PRO A 373 11.781 -11.336 4.073 1.00 0.23 C ATOM 564 CG PRO A 373 11.061 -11.580 2.815 1.00 0.22 C ATOM 565 CD PRO A 373 10.735 -10.207 2.328 1.00 0.19 C ATOM 0 HA PRO A 373 10.012 -10.650 5.231 1.00 0.20 H new ATOM 0 HB2 PRO A 373 12.794 -10.973 3.900 1.00 0.23 H new ATOM 0 HB3 PRO A 373 11.865 -12.239 4.677 1.00 0.23 H new ATOM 0 HG2 PRO A 373 11.677 -12.124 2.099 1.00 0.22 H new ATOM 0 HG3 PRO A 373 10.161 -12.173 2.976 1.00 0.22 H new ATOM 0 HD2 PRO A 373 11.522 -9.807 1.689 1.00 0.19 H new ATOM 0 HD3 PRO A 373 9.813 -10.192 1.747 1.00 0.19 H new ATOM 573 N THR A 374 12.447 -8.603 5.573 1.00 0.20 N ATOM 574 CA THR A 374 13.226 -7.885 6.559 1.00 0.23 C ATOM 575 C THR A 374 12.392 -6.795 7.229 1.00 0.20 C ATOM 576 O THR A 374 12.564 -6.490 8.411 1.00 0.23 O ATOM 577 CB THR A 374 14.442 -7.248 5.874 1.00 0.28 C ATOM 578 OG1 THR A 374 14.095 -5.970 5.328 1.00 0.28 O ATOM 579 CG2 THR A 374 14.922 -8.133 4.745 1.00 0.30 C ATOM 0 H THR A 374 12.566 -8.259 4.620 1.00 0.20 H new ATOM 0 HA THR A 374 13.550 -8.589 7.325 1.00 0.23 H new ATOM 0 HB THR A 374 15.228 -7.130 6.620 1.00 0.28 H new ATOM 0 HG1 THR A 374 14.887 -5.562 4.920 1.00 0.28 H new ATOM 0 HG21 THR A 374 15.785 -7.673 4.264 1.00 0.30 H new ATOM 0 HG22 THR A 374 15.204 -9.108 5.142 1.00 0.30 H new ATOM 0 HG23 THR A 374 14.123 -8.256 4.014 1.00 0.30 H new ATOM 587 N THR A 375 11.491 -6.205 6.460 1.00 0.18 N ATOM 588 CA THR A 375 10.630 -5.147 6.953 1.00 0.18 C ATOM 589 C THR A 375 9.223 -5.308 6.392 1.00 0.14 C ATOM 590 O THR A 375 8.779 -4.570 5.509 1.00 0.13 O ATOM 591 CB THR A 375 11.178 -3.752 6.621 1.00 0.23 C ATOM 592 OG1 THR A 375 12.583 -3.696 6.903 1.00 0.30 O ATOM 593 CG2 THR A 375 10.455 -2.697 7.439 1.00 0.27 C ATOM 0 H THR A 375 11.338 -6.446 5.481 1.00 0.18 H new ATOM 0 HA THR A 375 10.598 -5.233 8.039 1.00 0.18 H new ATOM 0 HB THR A 375 11.015 -3.557 5.561 1.00 0.23 H new ATOM 0 HG1 THR A 375 13.061 -4.308 6.306 1.00 0.30 H new ATOM 0 HG21 THR A 375 10.852 -1.712 7.195 1.00 0.27 H new ATOM 0 HG22 THR A 375 9.390 -2.726 7.210 1.00 0.27 H new ATOM 0 HG23 THR A 375 10.603 -2.895 8.501 1.00 0.27 H new ATOM 601 N PRO A 376 8.541 -6.320 6.906 1.00 0.13 N ATOM 602 CA PRO A 376 7.204 -6.734 6.493 1.00 0.11 C ATOM 603 C PRO A 376 6.106 -5.775 6.895 1.00 0.11 C ATOM 604 O PRO A 376 6.293 -4.869 7.711 1.00 0.15 O ATOM 605 CB PRO A 376 7.009 -8.056 7.224 1.00 0.14 C ATOM 606 CG PRO A 376 8.359 -8.456 7.625 1.00 0.16 C ATOM 607 CD PRO A 376 9.061 -7.192 7.932 1.00 0.15 C ATOM 0 HA PRO A 376 7.138 -6.787 5.406 1.00 0.11 H new ATOM 0 HB2 PRO A 376 6.356 -7.939 8.089 1.00 0.14 H new ATOM 0 HB3 PRO A 376 6.549 -8.803 6.577 1.00 0.14 H new ATOM 0 HG2 PRO A 376 8.333 -9.114 8.494 1.00 0.16 H new ATOM 0 HG3 PRO A 376 8.862 -9.002 6.827 1.00 0.16 H new ATOM 0 HD2 PRO A 376 8.833 -6.829 8.934 1.00 0.15 H new ATOM 0 HD3 PRO A 376 10.144 -7.298 7.870 1.00 0.15 H new ATOM 615 N THR A 377 4.961 -5.986 6.274 1.00 0.08 N ATOM 616 CA THR A 377 3.762 -5.262 6.586 1.00 0.08 C ATOM 617 C THR A 377 3.118 -5.819 7.850 1.00 0.08 C ATOM 618 O THR A 377 3.240 -7.000 8.170 1.00 0.11 O ATOM 619 CB THR A 377 2.772 -5.378 5.423 1.00 0.09 C ATOM 620 OG1 THR A 377 3.391 -6.105 4.358 1.00 0.12 O ATOM 621 CG2 THR A 377 2.337 -4.023 4.915 1.00 0.11 C ATOM 0 H THR A 377 4.845 -6.675 5.531 1.00 0.08 H new ATOM 0 HA THR A 377 4.020 -4.216 6.749 1.00 0.08 H new ATOM 0 HB THR A 377 1.885 -5.899 5.783 1.00 0.09 H new ATOM 0 HG1 THR A 377 3.431 -5.542 3.557 1.00 0.12 H new ATOM 0 HG21 THR A 377 1.635 -4.151 4.091 1.00 0.11 H new ATOM 0 HG22 THR A 377 1.853 -3.471 5.721 1.00 0.11 H new ATOM 0 HG23 THR A 377 3.208 -3.468 4.567 1.00 0.11 H new ATOM 629 N PRO A 378 2.387 -4.949 8.537 1.00 0.07 N ATOM 630 CA PRO A 378 1.810 -5.197 9.853 1.00 0.07 C ATOM 631 C PRO A 378 0.536 -6.026 9.805 1.00 0.07 C ATOM 632 O PRO A 378 0.408 -7.006 10.537 1.00 0.09 O ATOM 633 CB PRO A 378 1.479 -3.794 10.363 1.00 0.08 C ATOM 634 CG PRO A 378 1.801 -2.842 9.263 1.00 0.09 C ATOM 635 CD PRO A 378 2.042 -3.636 8.042 1.00 0.08 C ATOM 0 HA PRO A 378 2.498 -5.764 10.480 1.00 0.07 H new ATOM 0 HB2 PRO A 378 0.427 -3.722 10.639 1.00 0.08 H new ATOM 0 HB3 PRO A 378 2.059 -3.562 11.256 1.00 0.08 H new ATOM 0 HG2 PRO A 378 0.979 -2.143 9.109 1.00 0.09 H new ATOM 0 HG3 PRO A 378 2.681 -2.250 9.514 1.00 0.09 H new ATOM 0 HD2 PRO A 378 1.157 -3.669 7.407 1.00 0.08 H new ATOM 0 HD3 PRO A 378 2.848 -3.211 7.443 1.00 0.08 H new ATOM 643 N ALA A 379 -0.396 -5.616 8.944 1.00 0.06 N ATOM 644 CA ALA A 379 -1.688 -6.269 8.804 1.00 0.07 C ATOM 645 C ALA A 379 -2.603 -6.076 10.004 1.00 0.07 C ATOM 646 O ALA A 379 -2.270 -6.420 11.141 1.00 0.09 O ATOM 647 CB ALA A 379 -1.500 -7.717 8.454 1.00 0.08 C ATOM 0 H ALA A 379 -0.270 -4.817 8.323 1.00 0.06 H new ATOM 0 HA ALA A 379 -2.208 -5.779 7.981 1.00 0.07 H new ATOM 0 HB1 ALA A 379 -2.474 -8.196 8.352 1.00 0.08 H new ATOM 0 HB2 ALA A 379 -0.956 -7.796 7.513 1.00 0.08 H new ATOM 0 HB3 ALA A 379 -0.934 -8.211 9.243 1.00 0.08 H new ATOM 653 N GLY A 380 -3.772 -5.515 9.715 1.00 0.08 N ATOM 654 CA GLY A 380 -4.742 -5.208 10.734 1.00 0.10 C ATOM 655 C GLY A 380 -5.812 -4.284 10.219 1.00 0.10 C ATOM 656 O GLY A 380 -6.464 -4.574 9.218 1.00 0.11 O ATOM 0 H GLY A 380 -4.063 -5.265 8.770 1.00 0.08 H new ATOM 0 HA2 GLY A 380 -5.199 -6.131 11.092 1.00 0.10 H new ATOM 0 HA3 GLY A 380 -4.242 -4.748 11.586 1.00 0.10 H new ATOM 660 N VAL A 381 -5.974 -3.165 10.896 1.00 0.11 N ATOM 661 CA VAL A 381 -6.938 -2.165 10.520 1.00 0.12 C ATOM 662 C VAL A 381 -6.252 -0.802 10.452 1.00 0.12 C ATOM 663 O VAL A 381 -5.879 -0.200 11.463 1.00 0.21 O ATOM 664 CB VAL A 381 -8.128 -2.163 11.491 1.00 0.16 C ATOM 665 CG1 VAL A 381 -7.717 -1.815 12.917 1.00 0.89 C ATOM 666 CG2 VAL A 381 -9.238 -1.248 10.991 1.00 0.87 C ATOM 0 H VAL A 381 -5.434 -2.928 11.728 1.00 0.11 H new ATOM 0 HA VAL A 381 -7.338 -2.396 9.533 1.00 0.12 H new ATOM 0 HB VAL A 381 -8.516 -3.181 11.522 1.00 0.16 H new ATOM 0 HG11 VAL A 381 -8.595 -1.828 13.562 1.00 0.89 H new ATOM 0 HG12 VAL A 381 -6.993 -2.546 13.276 1.00 0.89 H new ATOM 0 HG13 VAL A 381 -7.268 -0.822 12.934 1.00 0.89 H new ATOM 0 HG21 VAL A 381 -10.069 -1.265 11.697 1.00 0.87 H new ATOM 0 HG22 VAL A 381 -8.858 -0.230 10.902 1.00 0.87 H new ATOM 0 HG23 VAL A 381 -9.583 -1.593 10.016 1.00 0.87 H new ATOM 676 N PHE A 382 -6.045 -0.352 9.242 1.00 0.10 N ATOM 677 CA PHE A 382 -5.222 0.798 8.976 1.00 0.10 C ATOM 678 C PHE A 382 -6.084 1.962 8.525 1.00 0.09 C ATOM 679 O PHE A 382 -7.233 1.759 8.159 1.00 0.11 O ATOM 680 CB PHE A 382 -4.279 0.406 7.861 1.00 0.16 C ATOM 681 CG PHE A 382 -3.378 -0.721 8.218 1.00 0.11 C ATOM 682 CD1 PHE A 382 -2.252 -0.480 8.979 1.00 0.14 C ATOM 683 CD2 PHE A 382 -3.642 -2.007 7.795 1.00 0.08 C ATOM 684 CE1 PHE A 382 -1.407 -1.497 9.319 1.00 0.15 C ATOM 685 CE2 PHE A 382 -2.795 -3.036 8.133 1.00 0.08 C ATOM 686 CZ PHE A 382 -1.741 -2.841 8.859 1.00 0.10 C ATOM 0 H PHE A 382 -6.447 -0.777 8.406 1.00 0.10 H new ATOM 0 HA PHE A 382 -4.679 1.104 9.870 1.00 0.10 H new ATOM 0 HB2 PHE A 382 -4.862 0.131 6.982 1.00 0.16 H new ATOM 0 HB3 PHE A 382 -3.675 1.271 7.585 1.00 0.16 H new ATOM 0 HD1 PHE A 382 -2.037 0.525 9.310 1.00 0.14 H new ATOM 0 HD2 PHE A 382 -4.518 -2.207 7.196 1.00 0.08 H new ATOM 0 HE1 PHE A 382 -0.521 -1.313 9.909 1.00 0.15 H new ATOM 0 HE2 PHE A 382 -3.015 -4.034 7.783 1.00 0.08 H new ATOM 0 HZ PHE A 382 -1.108 -3.675 9.125 1.00 0.10 H new ATOM 696 N TYR A 383 -5.540 3.170 8.555 1.00 0.08 N ATOM 697 CA TYR A 383 -6.268 4.342 8.072 1.00 0.09 C ATOM 698 C TYR A 383 -5.324 5.349 7.484 1.00 0.09 C ATOM 699 O TYR A 383 -4.279 5.626 8.071 1.00 0.11 O ATOM 700 CB TYR A 383 -7.059 5.049 9.169 1.00 0.12 C ATOM 701 CG TYR A 383 -8.030 4.172 9.930 1.00 0.25 C ATOM 702 CD1 TYR A 383 -9.239 3.781 9.374 1.00 0.39 C ATOM 703 CD2 TYR A 383 -7.729 3.732 11.214 1.00 0.53 C ATOM 704 CE1 TYR A 383 -10.120 2.980 10.072 1.00 0.51 C ATOM 705 CE2 TYR A 383 -8.606 2.931 11.918 1.00 0.64 C ATOM 706 CZ TYR A 383 -9.799 2.558 11.344 1.00 0.54 C ATOM 707 OH TYR A 383 -10.674 1.761 12.046 1.00 0.69 O ATOM 0 H TYR A 383 -4.603 3.367 8.906 1.00 0.08 H new ATOM 0 HA TYR A 383 -6.962 3.963 7.322 1.00 0.09 H new ATOM 0 HB2 TYR A 383 -6.356 5.485 9.878 1.00 0.12 H new ATOM 0 HB3 TYR A 383 -7.613 5.874 8.721 1.00 0.12 H new ATOM 0 HD1 TYR A 383 -9.496 4.109 8.378 1.00 0.39 H new ATOM 0 HD2 TYR A 383 -6.793 4.022 11.669 1.00 0.53 H new ATOM 0 HE1 TYR A 383 -11.057 2.685 9.623 1.00 0.51 H new ATOM 0 HE2 TYR A 383 -8.356 2.599 12.915 1.00 0.64 H new ATOM 0 HH TYR A 383 -10.294 1.553 12.925 1.00 0.69 H new ATOM 717 N VAL A 384 -5.697 5.936 6.365 1.00 0.09 N ATOM 718 CA VAL A 384 -4.865 6.951 5.777 1.00 0.10 C ATOM 719 C VAL A 384 -4.966 8.248 6.567 1.00 0.11 C ATOM 720 O VAL A 384 -6.058 8.771 6.810 1.00 0.13 O ATOM 721 CB VAL A 384 -5.172 7.181 4.275 1.00 0.11 C ATOM 722 CG1 VAL A 384 -6.624 6.923 3.962 1.00 0.12 C ATOM 723 CG2 VAL A 384 -4.804 8.585 3.852 1.00 0.14 C ATOM 0 H VAL A 384 -6.556 5.729 5.856 1.00 0.09 H new ATOM 0 HA VAL A 384 -3.837 6.592 5.827 1.00 0.10 H new ATOM 0 HB VAL A 384 -4.564 6.471 3.714 1.00 0.11 H new ATOM 0 HG11 VAL A 384 -6.803 7.094 2.901 1.00 0.12 H new ATOM 0 HG12 VAL A 384 -6.872 5.891 4.210 1.00 0.12 H new ATOM 0 HG13 VAL A 384 -7.248 7.597 4.549 1.00 0.12 H new ATOM 0 HG21 VAL A 384 -5.030 8.717 2.794 1.00 0.14 H new ATOM 0 HG22 VAL A 384 -5.377 9.304 4.438 1.00 0.14 H new ATOM 0 HG23 VAL A 384 -3.739 8.748 4.018 1.00 0.14 H new ATOM 733 N TRP A 385 -3.820 8.741 7.001 1.00 0.12 N ATOM 734 CA TRP A 385 -3.781 9.950 7.792 1.00 0.14 C ATOM 735 C TRP A 385 -3.193 11.109 7.030 1.00 0.16 C ATOM 736 O TRP A 385 -3.012 12.200 7.569 1.00 0.19 O ATOM 737 CB TRP A 385 -3.003 9.754 9.067 1.00 0.16 C ATOM 738 CG TRP A 385 -1.672 9.127 8.860 1.00 0.15 C ATOM 739 CD1 TRP A 385 -1.410 7.804 8.752 1.00 0.14 C ATOM 740 CD2 TRP A 385 -0.422 9.800 8.745 1.00 0.15 C ATOM 741 NE1 TRP A 385 -0.059 7.604 8.590 1.00 0.14 N ATOM 742 CE2 TRP A 385 0.568 8.819 8.584 1.00 0.15 C ATOM 743 CE3 TRP A 385 -0.051 11.138 8.766 1.00 0.17 C ATOM 744 CZ2 TRP A 385 1.916 9.141 8.449 1.00 0.15 C ATOM 745 CZ3 TRP A 385 1.276 11.460 8.631 1.00 0.18 C ATOM 746 CH2 TRP A 385 2.252 10.466 8.475 1.00 0.17 C ATOM 0 H TRP A 385 -2.908 8.322 6.818 1.00 0.12 H new ATOM 0 HA TRP A 385 -4.818 10.182 8.036 1.00 0.14 H new ATOM 0 HB2 TRP A 385 -2.869 10.720 9.553 1.00 0.16 H new ATOM 0 HB3 TRP A 385 -3.586 9.133 9.747 1.00 0.16 H new ATOM 0 HD1 TRP A 385 -2.152 7.020 8.788 1.00 0.14 H new ATOM 0 HE1 TRP A 385 0.400 6.698 8.491 1.00 0.14 H new ATOM 0 HE3 TRP A 385 -0.794 11.912 8.887 1.00 0.17 H new ATOM 0 HZ2 TRP A 385 2.667 8.374 8.328 1.00 0.15 H new ATOM 0 HZ3 TRP A 385 1.574 12.498 8.645 1.00 0.18 H new ATOM 0 HH2 TRP A 385 3.288 10.752 8.373 1.00 0.17 H new ATOM 757 N ASN A 386 -2.905 10.869 5.776 1.00 0.16 N ATOM 758 CA ASN A 386 -2.428 11.913 4.896 1.00 0.21 C ATOM 759 C ASN A 386 -2.486 11.463 3.452 1.00 0.20 C ATOM 760 O ASN A 386 -2.420 10.278 3.158 1.00 0.18 O ATOM 761 CB ASN A 386 -1.012 12.350 5.256 1.00 0.24 C ATOM 762 CG ASN A 386 -0.634 13.624 4.550 1.00 0.32 C ATOM 763 OD1 ASN A 386 -0.857 14.724 5.053 1.00 0.41 O ATOM 764 ND2 ASN A 386 -0.054 13.480 3.380 1.00 0.31 N ATOM 0 H ASN A 386 -2.993 9.953 5.336 1.00 0.16 H new ATOM 0 HA ASN A 386 -3.086 12.773 5.025 1.00 0.21 H new ATOM 0 HB2 ASN A 386 -0.937 12.494 6.334 1.00 0.24 H new ATOM 0 HB3 ASN A 386 -0.308 11.562 4.990 1.00 0.24 H new ATOM 0 HD21 ASN A 386 0.232 14.302 2.848 1.00 0.31 H new ATOM 0 HD22 ASN A 386 0.110 12.546 3.004 1.00 0.31 H new ATOM 771 N LYS A 387 -2.661 12.410 2.567 1.00 0.22 N ATOM 772 CA LYS A 387 -2.515 12.171 1.158 1.00 0.22 C ATOM 773 C LYS A 387 -1.275 12.853 0.650 1.00 0.19 C ATOM 774 O LYS A 387 -1.124 14.068 0.746 1.00 0.24 O ATOM 775 CB LYS A 387 -3.710 12.683 0.412 1.00 0.32 C ATOM 776 CG LYS A 387 -4.880 11.766 0.407 1.00 1.09 C ATOM 777 CD LYS A 387 -6.117 12.610 0.394 1.00 0.96 C ATOM 778 CE LYS A 387 -6.067 13.623 -0.717 1.00 0.57 C ATOM 779 NZ LYS A 387 -7.386 13.825 -1.368 1.00 0.67 N1+ ATOM 0 H LYS A 387 -2.909 13.370 2.806 1.00 0.22 H new ATOM 0 HA LYS A 387 -2.432 11.096 0.996 1.00 0.22 H new ATOM 0 HB2 LYS A 387 -4.013 13.634 0.849 1.00 0.32 H new ATOM 0 HB3 LYS A 387 -3.419 12.884 -0.619 1.00 0.32 H new ATOM 0 HG2 LYS A 387 -4.852 11.114 -0.466 1.00 1.09 H new ATOM 0 HG3 LYS A 387 -4.865 11.122 1.286 1.00 1.09 H new ATOM 0 HD2 LYS A 387 -6.994 11.974 0.272 1.00 0.96 H new ATOM 0 HD3 LYS A 387 -6.224 13.120 1.351 1.00 0.96 H new ATOM 0 HE2 LYS A 387 -5.713 14.574 -0.320 1.00 0.57 H new ATOM 0 HE3 LYS A 387 -5.343 13.300 -1.465 1.00 0.57 H new ATOM 0 HZ1 LYS A 387 -7.295 14.532 -2.125 1.00 0.67 H new ATOM 0 HZ2 LYS A 387 -7.715 12.925 -1.772 1.00 0.67 H new ATOM 0 HZ3 LYS A 387 -8.073 14.160 -0.663 1.00 0.67 H new ATOM 793 N GLU A 388 -0.385 12.065 0.149 1.00 0.18 N ATOM 794 CA GLU A 388 0.854 12.567 -0.375 1.00 0.18 C ATOM 795 C GLU A 388 1.038 12.256 -1.829 1.00 0.23 C ATOM 796 O GLU A 388 1.219 11.137 -2.245 1.00 0.38 O ATOM 797 CB GLU A 388 1.989 12.037 0.441 1.00 0.16 C ATOM 798 CG GLU A 388 2.643 13.123 1.228 1.00 0.16 C ATOM 799 CD GLU A 388 3.772 12.634 2.114 1.00 0.20 C ATOM 800 OE1 GLU A 388 3.487 12.158 3.231 1.00 0.32 O1- ATOM 801 OE2 GLU A 388 4.950 12.726 1.703 1.00 0.32 O ATOM 0 H GLU A 388 -0.490 11.052 0.088 1.00 0.18 H new ATOM 0 HA GLU A 388 0.831 13.654 -0.304 1.00 0.18 H new ATOM 0 HB2 GLU A 388 1.624 11.264 1.117 1.00 0.16 H new ATOM 0 HB3 GLU A 388 2.723 11.567 -0.214 1.00 0.16 H new ATOM 0 HG2 GLU A 388 3.031 13.875 0.541 1.00 0.16 H new ATOM 0 HG3 GLU A 388 1.893 13.614 1.848 1.00 0.16 H new ATOM 808 N GLU A 389 1.020 13.289 -2.584 1.00 0.17 N ATOM 809 CA GLU A 389 1.090 13.212 -3.997 1.00 0.19 C ATOM 810 C GLU A 389 2.408 13.701 -4.494 1.00 0.21 C ATOM 811 O GLU A 389 2.900 14.736 -4.033 1.00 0.26 O ATOM 812 CB GLU A 389 0.002 14.073 -4.536 1.00 0.21 C ATOM 813 CG GLU A 389 -1.342 13.718 -3.988 1.00 0.30 C ATOM 814 CD GLU A 389 -1.728 14.528 -2.760 1.00 1.06 C ATOM 815 OE1 GLU A 389 -0.912 15.353 -2.303 1.00 1.96 O1- ATOM 816 OE2 GLU A 389 -2.840 14.318 -2.228 1.00 1.18 O ATOM 0 H GLU A 389 0.954 14.242 -2.227 1.00 0.17 H new ATOM 0 HA GLU A 389 0.978 12.178 -4.322 1.00 0.19 H new ATOM 0 HB2 GLU A 389 0.221 15.115 -4.303 1.00 0.21 H new ATOM 0 HB3 GLU A 389 -0.019 13.987 -5.622 1.00 0.21 H new ATOM 0 HG2 GLU A 389 -2.093 13.868 -4.763 1.00 0.30 H new ATOM 0 HG3 GLU A 389 -1.354 12.658 -3.733 1.00 0.30 H new ATOM 823 N ASP A 390 2.958 12.982 -5.426 1.00 0.20 N ATOM 824 CA ASP A 390 4.283 13.286 -5.946 1.00 0.19 C ATOM 825 C ASP A 390 5.233 13.422 -4.759 1.00 0.21 C ATOM 826 O ASP A 390 6.132 14.268 -4.699 1.00 0.40 O ATOM 827 CB ASP A 390 4.226 14.562 -6.769 1.00 0.24 C ATOM 828 CG ASP A 390 5.519 14.860 -7.499 1.00 0.26 C ATOM 829 OD1 ASP A 390 5.974 13.995 -8.280 1.00 0.38 O1- ATOM 830 OD2 ASP A 390 6.086 15.954 -7.294 1.00 0.36 O ATOM 0 H ASP A 390 2.514 12.169 -5.854 1.00 0.20 H new ATOM 0 HA ASP A 390 4.642 12.492 -6.600 1.00 0.19 H new ATOM 0 HB2 ASP A 390 3.417 14.483 -7.495 1.00 0.24 H new ATOM 0 HB3 ASP A 390 3.985 15.399 -6.113 1.00 0.24 H new ATOM 835 N ALA A 391 4.928 12.597 -3.781 1.00 0.15 N ATOM 836 CA ALA A 391 5.594 12.570 -2.514 1.00 0.16 C ATOM 837 C ALA A 391 6.791 11.667 -2.528 1.00 0.15 C ATOM 838 O ALA A 391 7.032 10.910 -3.464 1.00 0.16 O ATOM 839 CB ALA A 391 4.606 12.118 -1.458 1.00 0.16 C ATOM 0 H ALA A 391 4.182 11.906 -3.857 1.00 0.15 H new ATOM 0 HA ALA A 391 5.957 13.573 -2.289 1.00 0.16 H new ATOM 0 HB1 ALA A 391 5.099 12.092 -0.486 1.00 0.16 H new ATOM 0 HB2 ALA A 391 3.768 12.814 -1.422 1.00 0.16 H new ATOM 0 HB3 ALA A 391 4.239 11.122 -1.705 1.00 0.16 H new ATOM 845 N THR A 392 7.527 11.759 -1.464 1.00 0.16 N ATOM 846 CA THR A 392 8.719 10.985 -1.292 1.00 0.17 C ATOM 847 C THR A 392 8.686 10.296 0.045 1.00 0.16 C ATOM 848 O THR A 392 8.847 10.902 1.106 1.00 0.18 O ATOM 849 CB THR A 392 10.000 11.813 -1.416 1.00 0.20 C ATOM 850 OG1 THR A 392 10.255 12.138 -2.790 1.00 0.27 O ATOM 851 CG2 THR A 392 11.182 11.037 -0.836 1.00 0.22 C ATOM 0 H THR A 392 7.316 12.379 -0.682 1.00 0.16 H new ATOM 0 HA THR A 392 8.740 10.253 -2.099 1.00 0.17 H new ATOM 0 HB THR A 392 9.872 12.739 -0.856 1.00 0.20 H new ATOM 0 HG1 THR A 392 11.076 12.669 -2.854 1.00 0.27 H new ATOM 0 HG21 THR A 392 12.090 11.634 -0.928 1.00 0.22 H new ATOM 0 HG22 THR A 392 10.995 10.822 0.216 1.00 0.22 H new ATOM 0 HG23 THR A 392 11.306 10.101 -1.381 1.00 0.22 H new ATOM 859 N LEU A 393 8.418 9.033 -0.046 1.00 0.15 N ATOM 860 CA LEU A 393 8.440 8.135 1.057 1.00 0.16 C ATOM 861 C LEU A 393 9.839 7.882 1.476 1.00 0.17 C ATOM 862 O LEU A 393 10.763 8.036 0.693 1.00 0.18 O ATOM 863 CB LEU A 393 7.810 6.860 0.604 1.00 0.16 C ATOM 864 CG LEU A 393 6.303 6.894 0.541 1.00 0.19 C ATOM 865 CD1 LEU A 393 5.823 7.914 -0.468 1.00 0.16 C ATOM 866 CD2 LEU A 393 5.776 5.546 0.166 1.00 0.24 C ATOM 0 H LEU A 393 8.168 8.584 -0.927 1.00 0.15 H new ATOM 0 HA LEU A 393 7.900 8.555 1.906 1.00 0.16 H new ATOM 0 HB2 LEU A 393 8.197 6.609 -0.384 1.00 0.16 H new ATOM 0 HB3 LEU A 393 8.115 6.059 1.278 1.00 0.16 H new ATOM 0 HG LEU A 393 5.933 7.175 1.527 1.00 0.19 H new ATOM 0 HD11 LEU A 393 4.733 7.917 -0.492 1.00 0.16 H new ATOM 0 HD12 LEU A 393 6.182 8.903 -0.184 1.00 0.16 H new ATOM 0 HD13 LEU A 393 6.207 7.658 -1.455 1.00 0.16 H new ATOM 0 HD21 LEU A 393 4.687 5.580 0.123 1.00 0.24 H new ATOM 0 HD22 LEU A 393 6.169 5.260 -0.810 1.00 0.24 H new ATOM 0 HD23 LEU A 393 6.087 4.814 0.911 1.00 0.24 H new ATOM 878 N LYS A 394 9.977 7.523 2.714 1.00 0.20 N ATOM 879 CA LYS A 394 11.228 7.328 3.320 1.00 0.24 C ATOM 880 C LYS A 394 11.057 6.398 4.471 1.00 0.30 C ATOM 881 O LYS A 394 9.929 6.084 4.852 1.00 0.38 O ATOM 882 CB LYS A 394 11.716 8.637 3.813 1.00 0.29 C ATOM 883 CG LYS A 394 12.541 9.259 2.785 1.00 0.29 C ATOM 884 CD LYS A 394 12.131 10.652 2.518 1.00 0.61 C ATOM 885 CE LYS A 394 12.665 11.570 3.576 1.00 0.52 C ATOM 886 NZ LYS A 394 12.277 12.986 3.345 1.00 0.67 N1+ ATOM 0 H LYS A 394 9.188 7.356 3.338 1.00 0.20 H new ATOM 0 HA LYS A 394 11.941 6.908 2.610 1.00 0.24 H new ATOM 0 HB2 LYS A 394 10.874 9.283 4.060 1.00 0.29 H new ATOM 0 HB3 LYS A 394 12.294 8.502 4.728 1.00 0.29 H new ATOM 0 HG2 LYS A 394 13.585 9.241 3.098 1.00 0.29 H new ATOM 0 HG3 LYS A 394 12.474 8.678 1.865 1.00 0.29 H new ATOM 0 HD2 LYS A 394 12.497 10.964 1.540 1.00 0.61 H new ATOM 0 HD3 LYS A 394 11.043 10.717 2.487 1.00 0.61 H new ATOM 0 HE2 LYS A 394 12.297 11.250 4.551 1.00 0.52 H new ATOM 0 HE3 LYS A 394 13.752 11.494 3.605 1.00 0.52 H new ATOM 0 HZ1 LYS A 394 12.669 13.581 4.102 1.00 0.67 H new ATOM 0 HZ2 LYS A 394 12.650 13.303 2.427 1.00 0.67 H new ATOM 0 HZ3 LYS A 394 11.240 13.066 3.344 1.00 0.67 H new ATOM 900 N GLY A 395 12.137 5.985 5.059 1.00 0.32 N ATOM 901 CA GLY A 395 11.993 5.024 6.100 1.00 0.39 C ATOM 902 C GLY A 395 13.275 4.461 6.579 1.00 0.44 C ATOM 903 O GLY A 395 14.283 4.554 5.909 1.00 0.81 O ATOM 0 H GLY A 395 13.089 6.284 4.847 1.00 0.32 H new ATOM 0 HA2 GLY A 395 11.475 5.487 6.940 1.00 0.39 H new ATOM 0 HA3 GLY A 395 11.360 4.210 5.745 1.00 0.39 H new ATOM 907 N THR A 396 13.203 3.801 7.696 1.00 0.58 N ATOM 908 CA THR A 396 14.323 3.116 8.224 1.00 0.57 C ATOM 909 C THR A 396 14.242 1.682 7.858 1.00 0.60 C ATOM 910 O THR A 396 13.299 0.961 8.191 1.00 0.71 O ATOM 911 CB THR A 396 14.467 3.293 9.716 1.00 0.67 C ATOM 912 OG1 THR A 396 13.210 3.637 10.317 1.00 0.79 O ATOM 913 CG2 THR A 396 15.494 4.369 9.942 1.00 0.68 C ATOM 0 H THR A 396 12.358 3.728 8.262 1.00 0.58 H new ATOM 0 HA THR A 396 15.219 3.553 7.784 1.00 0.57 H new ATOM 0 HB THR A 396 14.788 2.362 10.182 1.00 0.67 H new ATOM 0 HG1 THR A 396 13.328 3.745 11.284 1.00 0.79 H new ATOM 0 HG21 THR A 396 15.626 4.526 11.012 1.00 0.68 H new ATOM 0 HG22 THR A 396 16.443 4.065 9.500 1.00 0.68 H new ATOM 0 HG23 THR A 396 15.158 5.296 9.478 1.00 0.68 H new ATOM 921 N ASN A 397 15.222 1.332 7.083 1.00 0.55 N ATOM 922 CA ASN A 397 15.392 -0.007 6.571 1.00 0.62 C ATOM 923 C ASN A 397 15.331 -1.070 7.646 1.00 0.69 C ATOM 924 O ASN A 397 15.218 -0.764 8.833 1.00 0.70 O ATOM 925 CB ASN A 397 16.714 -0.169 5.895 1.00 0.63 C ATOM 926 CG ASN A 397 16.599 0.062 4.426 1.00 0.70 C ATOM 927 OD1 ASN A 397 16.427 -0.869 3.644 1.00 1.12 O ATOM 928 ND2 ASN A 397 16.632 1.303 4.053 1.00 0.50 N ATOM 0 H ASN A 397 15.948 1.980 6.777 1.00 0.55 H new ATOM 0 HA ASN A 397 14.565 -0.140 5.874 1.00 0.62 H new ATOM 0 HB2 ASN A 397 17.432 0.532 6.321 1.00 0.63 H new ATOM 0 HB3 ASN A 397 17.100 -1.172 6.079 1.00 0.63 H new ATOM 0 HD21 ASN A 397 16.512 1.543 3.069 1.00 0.50 H new ATOM 0 HD22 ASN A 397 16.778 2.039 4.744 1.00 0.50 H new ATOM 935 N ASP A 398 15.469 -2.314 7.241 1.00 0.78 N ATOM 936 CA ASP A 398 15.710 -3.384 8.190 1.00 0.85 C ATOM 937 C ASP A 398 16.896 -3.051 9.095 1.00 0.78 C ATOM 938 O ASP A 398 16.977 -3.515 10.233 1.00 0.83 O ATOM 939 CB ASP A 398 15.967 -4.698 7.467 1.00 0.97 C ATOM 940 CG ASP A 398 16.748 -4.536 6.179 1.00 1.23 C ATOM 941 OD1 ASP A 398 16.129 -4.281 5.128 1.00 1.63 O1- ATOM 942 OD2 ASP A 398 17.995 -4.650 6.222 1.00 1.65 O ATOM 0 H ASP A 398 15.419 -2.611 6.266 1.00 0.78 H new ATOM 0 HA ASP A 398 14.817 -3.490 8.806 1.00 0.85 H new ATOM 0 HB2 ASP A 398 16.512 -5.369 8.131 1.00 0.97 H new ATOM 0 HB3 ASP A 398 15.012 -5.175 7.246 1.00 0.97 H new ATOM 947 N ASP A 399 17.789 -2.198 8.597 1.00 0.73 N ATOM 948 CA ASP A 399 19.010 -1.871 9.317 1.00 0.78 C ATOM 949 C ASP A 399 18.799 -0.677 10.210 1.00 0.74 C ATOM 950 O ASP A 399 19.506 -0.485 11.198 1.00 0.86 O ATOM 951 CB ASP A 399 20.121 -1.521 8.361 1.00 0.85 C ATOM 952 CG ASP A 399 21.363 -2.366 8.562 1.00 1.18 C ATOM 953 OD1 ASP A 399 22.159 -2.059 9.477 1.00 2.00 O1- ATOM 954 OD2 ASP A 399 21.551 -3.340 7.805 1.00 1.39 O ATOM 0 H ASP A 399 17.687 -1.724 7.700 1.00 0.73 H new ATOM 0 HA ASP A 399 19.276 -2.749 9.905 1.00 0.78 H new ATOM 0 HB2 ASP A 399 19.765 -1.645 7.338 1.00 0.85 H new ATOM 0 HB3 ASP A 399 20.380 -0.469 8.483 1.00 0.85 H new ATOM 959 N GLY A 400 17.835 0.130 9.844 1.00 0.65 N ATOM 960 CA GLY A 400 17.682 1.412 10.473 1.00 0.65 C ATOM 961 C GLY A 400 18.343 2.473 9.648 1.00 0.61 C ATOM 962 O GLY A 400 18.906 3.438 10.165 1.00 0.66 O ATOM 0 H GLY A 400 17.150 -0.079 9.118 1.00 0.65 H new ATOM 0 HA2 GLY A 400 16.623 1.642 10.595 1.00 0.65 H new ATOM 0 HA3 GLY A 400 18.120 1.391 11.471 1.00 0.65 H new ATOM 966 N THR A 401 18.277 2.266 8.354 1.00 0.56 N ATOM 967 CA THR A 401 18.860 3.135 7.400 1.00 0.56 C ATOM 968 C THR A 401 17.764 3.697 6.569 1.00 0.50 C ATOM 969 O THR A 401 16.915 2.979 6.064 1.00 0.50 O ATOM 970 CB THR A 401 19.858 2.400 6.511 1.00 0.61 C ATOM 971 OG1 THR A 401 19.234 1.266 5.904 1.00 0.61 O ATOM 972 CG2 THR A 401 21.039 1.937 7.333 1.00 0.68 C ATOM 0 H THR A 401 17.801 1.464 7.941 1.00 0.56 H new ATOM 0 HA THR A 401 19.405 3.925 7.916 1.00 0.56 H new ATOM 0 HB THR A 401 20.200 3.084 5.734 1.00 0.61 H new ATOM 0 HG1 THR A 401 19.882 0.802 5.334 1.00 0.61 H new ATOM 0 HG21 THR A 401 21.747 1.413 6.690 1.00 0.68 H new ATOM 0 HG22 THR A 401 21.529 2.800 7.784 1.00 0.68 H new ATOM 0 HG23 THR A 401 20.694 1.264 8.118 1.00 0.68 H new ATOM 980 N PRO A 402 17.743 4.978 6.440 1.00 0.50 N ATOM 981 CA PRO A 402 16.711 5.657 5.736 1.00 0.46 C ATOM 982 C PRO A 402 16.802 5.410 4.254 1.00 0.45 C ATOM 983 O PRO A 402 17.879 5.237 3.675 1.00 0.56 O ATOM 984 CB PRO A 402 16.971 7.099 6.049 1.00 0.55 C ATOM 985 CG PRO A 402 17.931 7.098 7.163 1.00 0.81 C ATOM 986 CD PRO A 402 18.742 5.900 6.913 1.00 0.58 C ATOM 0 HA PRO A 402 15.715 5.324 6.027 1.00 0.46 H new ATOM 0 HB2 PRO A 402 17.377 7.621 5.182 1.00 0.55 H new ATOM 0 HB3 PRO A 402 16.050 7.612 6.326 1.00 0.55 H new ATOM 0 HG2 PRO A 402 18.540 8.002 7.169 1.00 0.81 H new ATOM 0 HG3 PRO A 402 17.427 7.047 8.128 1.00 0.81 H new ATOM 0 HD2 PRO A 402 19.521 6.078 6.172 1.00 0.58 H new ATOM 0 HD3 PRO A 402 19.237 5.543 7.816 1.00 0.58 H new ATOM 994 N TYR A 403 15.645 5.386 3.681 1.00 0.36 N ATOM 995 CA TYR A 403 15.454 5.080 2.285 1.00 0.34 C ATOM 996 C TYR A 403 14.387 5.992 1.752 1.00 0.29 C ATOM 997 O TYR A 403 13.860 6.792 2.498 1.00 0.29 O ATOM 998 CB TYR A 403 15.042 3.608 2.100 1.00 0.34 C ATOM 999 CG TYR A 403 13.629 3.268 2.568 1.00 0.31 C ATOM 1000 CD1 TYR A 403 12.525 3.576 1.777 1.00 0.29 C ATOM 1001 CD2 TYR A 403 13.392 2.656 3.800 1.00 0.37 C ATOM 1002 CE1 TYR A 403 11.243 3.288 2.187 1.00 0.28 C ATOM 1003 CE2 TYR A 403 12.106 2.367 4.214 1.00 0.38 C ATOM 1004 CZ TYR A 403 11.037 2.687 3.404 1.00 0.32 C ATOM 1005 OH TYR A 403 9.757 2.395 3.812 1.00 0.35 O ATOM 0 H TYR A 403 14.776 5.583 4.177 1.00 0.36 H new ATOM 0 HA TYR A 403 16.387 5.230 1.741 1.00 0.34 H new ATOM 0 HB2 TYR A 403 15.130 3.352 1.044 1.00 0.34 H new ATOM 0 HB3 TYR A 403 15.749 2.978 2.641 1.00 0.34 H new ATOM 0 HD1 TYR A 403 12.678 4.052 0.820 1.00 0.29 H new ATOM 0 HD2 TYR A 403 14.226 2.405 4.439 1.00 0.37 H new ATOM 0 HE1 TYR A 403 10.403 3.534 1.554 1.00 0.28 H new ATOM 0 HE2 TYR A 403 11.938 1.892 5.169 1.00 0.38 H new ATOM 0 HH TYR A 403 9.196 2.218 3.028 1.00 0.35 H new ATOM 1015 N GLU A 404 14.042 5.830 0.500 1.00 0.28 N ATOM 1016 CA GLU A 404 12.969 6.596 -0.110 1.00 0.24 C ATOM 1017 C GLU A 404 12.145 5.763 -1.057 1.00 0.24 C ATOM 1018 O GLU A 404 12.523 4.672 -1.487 1.00 0.31 O ATOM 1019 CB GLU A 404 13.475 7.791 -0.896 1.00 0.27 C ATOM 1020 CG GLU A 404 13.850 8.998 -0.085 1.00 0.29 C ATOM 1021 CD GLU A 404 14.785 9.925 -0.826 1.00 0.36 C ATOM 1022 OE1 GLU A 404 14.299 10.800 -1.577 1.00 0.45 O ATOM 1023 OE2 GLU A 404 16.011 9.784 -0.660 1.00 0.62 O1- ATOM 0 H GLU A 404 14.492 5.166 -0.130 1.00 0.28 H new ATOM 0 HA GLU A 404 12.362 6.934 0.730 1.00 0.24 H new ATOM 0 HB2 GLU A 404 14.346 7.480 -1.473 1.00 0.27 H new ATOM 0 HB3 GLU A 404 12.706 8.083 -1.612 1.00 0.27 H new ATOM 0 HG2 GLU A 404 12.946 9.542 0.190 1.00 0.29 H new ATOM 0 HG3 GLU A 404 14.323 8.676 0.843 1.00 0.29 H new ATOM 1030 N SER A 405 10.992 6.314 -1.329 1.00 0.20 N ATOM 1031 CA SER A 405 10.078 5.832 -2.304 1.00 0.20 C ATOM 1032 C SER A 405 9.485 7.041 -3.025 1.00 0.18 C ATOM 1033 O SER A 405 8.585 7.711 -2.503 1.00 0.23 O ATOM 1034 CB SER A 405 9.008 5.039 -1.569 1.00 0.26 C ATOM 1035 OG SER A 405 7.707 5.378 -1.997 1.00 1.33 O ATOM 0 H SER A 405 10.658 7.150 -0.849 1.00 0.20 H new ATOM 0 HA SER A 405 10.553 5.186 -3.043 1.00 0.20 H new ATOM 0 HB2 SER A 405 9.175 3.973 -1.727 1.00 0.26 H new ATOM 0 HB3 SER A 405 9.095 5.220 -0.498 1.00 0.26 H new ATOM 0 HG SER A 405 7.646 5.277 -2.970 1.00 1.33 H new ATOM 1041 N PRO A 406 10.018 7.382 -4.201 1.00 0.18 N ATOM 1042 CA PRO A 406 9.475 8.446 -5.017 1.00 0.19 C ATOM 1043 C PRO A 406 8.120 8.061 -5.562 1.00 0.17 C ATOM 1044 O PRO A 406 8.000 7.323 -6.535 1.00 0.17 O ATOM 1045 CB PRO A 406 10.496 8.577 -6.138 1.00 0.20 C ATOM 1046 CG PRO A 406 11.078 7.230 -6.233 1.00 0.19 C ATOM 1047 CD PRO A 406 11.180 6.772 -4.819 1.00 0.18 C ATOM 0 HA PRO A 406 9.322 9.376 -4.469 1.00 0.19 H new ATOM 0 HB2 PRO A 406 10.027 8.878 -7.075 1.00 0.20 H new ATOM 0 HB3 PRO A 406 11.253 9.326 -5.905 1.00 0.20 H new ATOM 0 HG2 PRO A 406 10.447 6.565 -6.822 1.00 0.19 H new ATOM 0 HG3 PRO A 406 12.055 7.252 -6.715 1.00 0.19 H new ATOM 0 HD2 PRO A 406 11.155 5.685 -4.743 1.00 0.18 H new ATOM 0 HD3 PRO A 406 12.108 7.103 -4.352 1.00 0.18 H new ATOM 1055 N VAL A 407 7.119 8.604 -4.952 1.00 0.17 N ATOM 1056 CA VAL A 407 5.777 8.270 -5.216 1.00 0.17 C ATOM 1057 C VAL A 407 5.041 9.461 -5.802 1.00 0.19 C ATOM 1058 O VAL A 407 5.520 10.592 -5.805 1.00 0.30 O ATOM 1059 CB VAL A 407 5.204 7.799 -3.878 1.00 0.16 C ATOM 1060 CG1 VAL A 407 3.944 8.524 -3.514 1.00 0.15 C ATOM 1061 CG2 VAL A 407 5.068 6.285 -3.849 1.00 0.23 C ATOM 0 H VAL A 407 7.228 9.318 -4.231 1.00 0.17 H new ATOM 0 HA VAL A 407 5.674 7.482 -5.962 1.00 0.17 H new ATOM 0 HB VAL A 407 5.915 8.060 -3.094 1.00 0.16 H new ATOM 0 HG11 VAL A 407 3.575 8.155 -2.557 1.00 0.15 H new ATOM 0 HG12 VAL A 407 4.148 9.592 -3.437 1.00 0.15 H new ATOM 0 HG13 VAL A 407 3.191 8.353 -4.283 1.00 0.15 H new ATOM 0 HG21 VAL A 407 4.659 5.975 -2.888 1.00 0.23 H new ATOM 0 HG22 VAL A 407 4.400 5.964 -4.648 1.00 0.23 H new ATOM 0 HG23 VAL A 407 6.048 5.829 -3.990 1.00 0.23 H new ATOM 1071 N ASN A 408 3.919 9.147 -6.371 1.00 0.19 N ATOM 1072 CA ASN A 408 3.078 10.070 -7.071 1.00 0.21 C ATOM 1073 C ASN A 408 1.785 10.159 -6.325 1.00 0.19 C ATOM 1074 O ASN A 408 1.124 11.189 -6.284 1.00 0.26 O ATOM 1075 CB ASN A 408 2.882 9.471 -8.435 1.00 0.34 C ATOM 1076 CG ASN A 408 4.208 9.220 -9.066 1.00 1.01 C ATOM 1077 OD1 ASN A 408 4.752 10.042 -9.804 1.00 1.84 O ATOM 1078 ND2 ASN A 408 4.737 8.066 -8.745 1.00 1.01 N ATOM 0 H ASN A 408 3.547 8.197 -6.360 1.00 0.19 H new ATOM 0 HA ASN A 408 3.494 11.074 -7.153 1.00 0.21 H new ATOM 0 HB2 ASN A 408 2.323 8.539 -8.357 1.00 0.34 H new ATOM 0 HB3 ASN A 408 2.293 10.144 -9.058 1.00 0.34 H new ATOM 0 HD21 ASN A 408 5.652 7.805 -9.112 1.00 1.01 H new ATOM 0 HD22 ASN A 408 4.234 7.428 -8.128 1.00 1.01 H new ATOM 1085 N TYR A 409 1.461 9.043 -5.722 1.00 0.15 N ATOM 1086 CA TYR A 409 0.294 8.937 -4.852 1.00 0.15 C ATOM 1087 C TYR A 409 0.633 8.117 -3.623 1.00 0.14 C ATOM 1088 O TYR A 409 0.941 6.929 -3.718 1.00 0.15 O ATOM 1089 CB TYR A 409 -0.888 8.310 -5.566 1.00 0.19 C ATOM 1090 CG TYR A 409 -1.278 9.054 -6.812 1.00 0.23 C ATOM 1091 CD1 TYR A 409 -1.743 10.356 -6.730 1.00 0.38 C ATOM 1092 CD2 TYR A 409 -1.154 8.476 -8.063 1.00 0.31 C ATOM 1093 CE1 TYR A 409 -2.081 11.063 -7.856 1.00 0.44 C ATOM 1094 CE2 TYR A 409 -1.486 9.176 -9.200 1.00 0.34 C ATOM 1095 CZ TYR A 409 -1.951 10.471 -9.095 1.00 0.35 C ATOM 1096 OH TYR A 409 -2.279 11.173 -10.232 1.00 0.41 O ATOM 0 H TYR A 409 1.992 8.177 -5.814 1.00 0.15 H new ATOM 0 HA TYR A 409 0.014 9.949 -4.558 1.00 0.15 H new ATOM 0 HB2 TYR A 409 -0.645 7.279 -5.825 1.00 0.19 H new ATOM 0 HB3 TYR A 409 -1.740 8.276 -4.887 1.00 0.19 H new ATOM 0 HD1 TYR A 409 -1.841 10.823 -5.761 1.00 0.38 H new ATOM 0 HD2 TYR A 409 -0.792 7.462 -8.148 1.00 0.31 H new ATOM 0 HE1 TYR A 409 -2.446 12.076 -7.773 1.00 0.44 H new ATOM 0 HE2 TYR A 409 -1.383 8.714 -10.171 1.00 0.34 H new ATOM 0 HH TYR A 409 -2.128 10.609 -11.019 1.00 0.41 H new ATOM 1106 N TRP A 410 0.578 8.769 -2.488 1.00 0.13 N ATOM 1107 CA TRP A 410 0.895 8.175 -1.207 1.00 0.11 C ATOM 1108 C TRP A 410 -0.274 8.313 -0.275 1.00 0.10 C ATOM 1109 O TRP A 410 -0.908 9.365 -0.190 1.00 0.12 O ATOM 1110 CB TRP A 410 2.114 8.878 -0.602 1.00 0.12 C ATOM 1111 CG TRP A 410 2.539 8.409 0.750 1.00 0.11 C ATOM 1112 CD1 TRP A 410 2.931 9.204 1.774 1.00 0.12 C ATOM 1113 CD2 TRP A 410 2.648 7.065 1.223 1.00 0.11 C ATOM 1114 NE1 TRP A 410 3.251 8.452 2.863 1.00 0.13 N ATOM 1115 CE2 TRP A 410 3.100 7.128 2.551 1.00 0.11 C ATOM 1116 CE3 TRP A 410 2.404 5.821 0.659 1.00 0.11 C ATOM 1117 CZ2 TRP A 410 3.315 5.987 3.316 1.00 0.12 C ATOM 1118 CZ3 TRP A 410 2.622 4.692 1.411 1.00 0.11 C ATOM 1119 CH2 TRP A 410 3.077 4.781 2.730 1.00 0.11 C ATOM 0 H TRP A 410 0.306 9.750 -2.425 1.00 0.13 H new ATOM 0 HA TRP A 410 1.117 7.118 -1.351 1.00 0.11 H new ATOM 0 HB2 TRP A 410 2.954 8.758 -1.286 1.00 0.12 H new ATOM 0 HB3 TRP A 410 1.900 9.945 -0.543 1.00 0.12 H new ATOM 0 HD1 TRP A 410 2.982 10.282 1.733 1.00 0.12 H new ATOM 0 HE1 TRP A 410 3.554 8.817 3.766 1.00 0.13 H new ATOM 0 HE3 TRP A 410 2.048 5.741 -0.357 1.00 0.11 H new ATOM 0 HZ2 TRP A 410 3.658 6.055 4.338 1.00 0.12 H new ATOM 0 HZ3 TRP A 410 2.439 3.720 0.976 1.00 0.11 H new ATOM 0 HH2 TRP A 410 3.243 3.876 3.295 1.00 0.11 H new ATOM 1130 N MET A 411 -0.561 7.246 0.406 1.00 0.09 N ATOM 1131 CA MET A 411 -1.567 7.265 1.420 1.00 0.10 C ATOM 1132 C MET A 411 -1.098 6.529 2.669 1.00 0.09 C ATOM 1133 O MET A 411 -1.365 5.339 2.835 1.00 0.10 O ATOM 1134 CB MET A 411 -2.822 6.653 0.864 1.00 0.12 C ATOM 1135 CG MET A 411 -3.853 7.686 0.477 1.00 0.14 C ATOM 1136 SD MET A 411 -4.741 7.217 -1.010 1.00 0.41 S ATOM 1137 CE MET A 411 -5.100 5.514 -0.624 1.00 0.13 C ATOM 0 H MET A 411 -0.106 6.342 0.275 1.00 0.09 H new ATOM 0 HA MET A 411 -1.769 8.294 1.716 1.00 0.10 H new ATOM 0 HB2 MET A 411 -2.571 6.051 -0.009 1.00 0.12 H new ATOM 0 HB3 MET A 411 -3.251 5.978 1.604 1.00 0.12 H new ATOM 0 HG2 MET A 411 -4.560 7.818 1.296 1.00 0.14 H new ATOM 0 HG3 MET A 411 -3.363 8.647 0.320 1.00 0.14 H new ATOM 0 HE1 MET A 411 -5.526 5.024 -1.500 1.00 0.13 H new ATOM 0 HE2 MET A 411 -4.181 5.005 -0.335 1.00 0.13 H new ATOM 0 HE3 MET A 411 -5.813 5.470 0.199 1.00 0.13 H new ATOM 1147 N PRO A 412 -0.371 7.226 3.552 1.00 0.09 N ATOM 1148 CA PRO A 412 0.173 6.637 4.780 1.00 0.09 C ATOM 1149 C PRO A 412 -0.904 6.346 5.801 1.00 0.09 C ATOM 1150 O PRO A 412 -1.865 7.096 5.961 1.00 0.09 O ATOM 1151 CB PRO A 412 1.096 7.738 5.301 1.00 0.10 C ATOM 1152 CG PRO A 412 0.469 8.987 4.814 1.00 0.16 C ATOM 1153 CD PRO A 412 -0.011 8.654 3.433 1.00 0.11 C ATOM 0 HA PRO A 412 0.665 5.682 4.596 1.00 0.09 H new ATOM 0 HB2 PRO A 412 1.163 7.722 6.389 1.00 0.10 H new ATOM 0 HB3 PRO A 412 2.110 7.624 4.918 1.00 0.10 H new ATOM 0 HG2 PRO A 412 -0.356 9.294 5.457 1.00 0.16 H new ATOM 0 HG3 PRO A 412 1.184 9.810 4.798 1.00 0.16 H new ATOM 0 HD2 PRO A 412 -0.866 9.265 3.143 1.00 0.11 H new ATOM 0 HD3 PRO A 412 0.765 8.815 2.684 1.00 0.11 H new ATOM 1161 N ILE A 413 -0.729 5.213 6.452 1.00 0.09 N ATOM 1162 CA ILE A 413 -1.702 4.675 7.379 1.00 0.10 C ATOM 1163 C ILE A 413 -1.081 4.430 8.742 1.00 0.14 C ATOM 1164 O ILE A 413 -1.781 4.209 9.729 1.00 0.17 O ATOM 1165 CB ILE A 413 -2.238 3.359 6.830 1.00 0.09 C ATOM 1166 CG1 ILE A 413 -1.128 2.297 6.821 1.00 0.10 C ATOM 1167 CG2 ILE A 413 -2.765 3.622 5.440 1.00 0.09 C ATOM 1168 CD1 ILE A 413 -1.440 1.086 5.980 1.00 0.11 C ATOM 0 H ILE A 413 0.104 4.633 6.350 1.00 0.09 H new ATOM 0 HA ILE A 413 -2.509 5.398 7.493 1.00 0.10 H new ATOM 0 HB ILE A 413 -3.042 2.975 7.458 1.00 0.09 H new ATOM 0 HG12 ILE A 413 -0.208 2.752 6.455 1.00 0.10 H new ATOM 0 HG13 ILE A 413 -0.940 1.976 7.845 1.00 0.10 H new ATOM 0 HG21 ILE A 413 -3.157 2.696 5.018 1.00 0.09 H new ATOM 0 HG22 ILE A 413 -3.561 4.365 5.487 1.00 0.09 H new ATOM 0 HG23 ILE A 413 -1.958 3.995 4.809 1.00 0.09 H new ATOM 0 HD11 ILE A 413 -0.606 0.385 6.027 1.00 0.11 H new ATOM 0 HD12 ILE A 413 -2.341 0.603 6.357 1.00 0.11 H new ATOM 0 HD13 ILE A 413 -1.598 1.392 4.946 1.00 0.11 H new ATOM 1180 N ASP A 414 0.246 4.421 8.767 1.00 0.15 N ATOM 1181 CA ASP A 414 0.998 4.273 10.005 1.00 0.22 C ATOM 1182 C ASP A 414 2.127 5.302 10.037 1.00 0.21 C ATOM 1183 O ASP A 414 2.454 5.883 9.001 1.00 0.22 O ATOM 1184 CB ASP A 414 1.550 2.850 10.135 1.00 0.31 C ATOM 1185 CG ASP A 414 2.192 2.585 11.481 1.00 0.88 C ATOM 1186 OD1 ASP A 414 1.468 2.207 12.417 1.00 1.59 O ATOM 1187 OD2 ASP A 414 3.422 2.746 11.605 1.00 1.23 O1- ATOM 0 H ASP A 414 0.828 4.516 7.934 1.00 0.15 H new ATOM 0 HA ASP A 414 0.335 4.448 10.852 1.00 0.22 H new ATOM 0 HB2 ASP A 414 0.741 2.137 9.978 1.00 0.31 H new ATOM 0 HB3 ASP A 414 2.284 2.678 9.348 1.00 0.31 H new ATOM 1192 N TRP A 415 2.738 5.511 11.196 1.00 0.24 N ATOM 1193 CA TRP A 415 3.769 6.532 11.340 1.00 0.25 C ATOM 1194 C TRP A 415 5.178 5.949 11.276 1.00 0.27 C ATOM 1195 O TRP A 415 6.148 6.622 11.620 1.00 0.31 O ATOM 1196 CB TRP A 415 3.565 7.340 12.617 1.00 0.28 C ATOM 1197 CG TRP A 415 2.495 8.377 12.477 1.00 0.28 C ATOM 1198 CD1 TRP A 415 2.678 9.719 12.324 1.00 0.30 C ATOM 1199 CD2 TRP A 415 1.080 8.158 12.448 1.00 0.27 C ATOM 1200 NE1 TRP A 415 1.464 10.352 12.224 1.00 0.30 N ATOM 1201 CE2 TRP A 415 0.469 9.415 12.294 1.00 0.28 C ATOM 1202 CE3 TRP A 415 0.267 7.025 12.545 1.00 0.27 C ATOM 1203 CZ2 TRP A 415 -0.911 9.566 12.231 1.00 0.28 C ATOM 1204 CZ3 TRP A 415 -1.104 7.185 12.479 1.00 0.27 C ATOM 1205 CH2 TRP A 415 -1.678 8.446 12.323 1.00 0.27 C ATOM 0 H TRP A 415 2.538 4.988 12.049 1.00 0.24 H new ATOM 0 HA TRP A 415 3.668 7.206 10.489 1.00 0.25 H new ATOM 0 HB2 TRP A 415 3.307 6.665 13.433 1.00 0.28 H new ATOM 0 HB3 TRP A 415 4.502 7.825 12.889 1.00 0.28 H new ATOM 0 HD1 TRP A 415 3.638 10.212 12.287 1.00 0.30 H new ATOM 0 HE1 TRP A 415 1.326 11.357 12.115 1.00 0.30 H new ATOM 0 HE3 TRP A 415 0.702 6.044 12.669 1.00 0.27 H new ATOM 0 HZ2 TRP A 415 -1.360 10.541 12.113 1.00 0.28 H new ATOM 0 HZ3 TRP A 415 -1.743 6.317 12.550 1.00 0.27 H new ATOM 0 HH2 TRP A 415 -2.753 8.536 12.274 1.00 0.27 H new ATOM 1216 N THR A 416 5.306 4.715 10.832 1.00 0.27 N ATOM 1217 CA THR A 416 6.621 4.148 10.592 1.00 0.32 C ATOM 1218 C THR A 416 6.958 4.393 9.146 1.00 0.30 C ATOM 1219 O THR A 416 8.119 4.539 8.749 1.00 0.35 O ATOM 1220 CB THR A 416 6.656 2.639 10.870 1.00 0.40 C ATOM 1221 OG1 THR A 416 5.497 2.013 10.306 1.00 0.41 O ATOM 1222 CG2 THR A 416 6.718 2.361 12.364 1.00 0.44 C ATOM 0 H THR A 416 4.526 4.090 10.631 1.00 0.27 H new ATOM 0 HA THR A 416 7.340 4.617 11.263 1.00 0.32 H new ATOM 0 HB THR A 416 7.553 2.227 10.408 1.00 0.40 H new ATOM 0 HG1 THR A 416 4.769 2.021 10.962 1.00 0.41 H new ATOM 0 HG21 THR A 416 6.742 1.284 12.533 1.00 0.44 H new ATOM 0 HG22 THR A 416 7.617 2.814 12.781 1.00 0.44 H new ATOM 0 HG23 THR A 416 5.839 2.785 12.850 1.00 0.44 H new ATOM 1230 N GLY A 417 5.895 4.491 8.379 1.00 0.24 N ATOM 1231 CA GLY A 417 6.000 4.783 6.987 1.00 0.24 C ATOM 1232 C GLY A 417 5.279 3.780 6.138 1.00 0.19 C ATOM 1233 O GLY A 417 5.688 3.494 5.017 1.00 0.20 O ATOM 0 H GLY A 417 4.939 4.369 8.713 1.00 0.24 H new ATOM 0 HA2 GLY A 417 5.594 5.776 6.795 1.00 0.24 H new ATOM 0 HA3 GLY A 417 7.052 4.808 6.702 1.00 0.24 H new ATOM 1237 N VAL A 418 4.196 3.245 6.670 1.00 0.15 N ATOM 1238 CA VAL A 418 3.402 2.305 5.921 1.00 0.11 C ATOM 1239 C VAL A 418 2.152 2.958 5.377 1.00 0.09 C ATOM 1240 O VAL A 418 1.590 3.873 5.987 1.00 0.09 O ATOM 1241 CB VAL A 418 3.025 1.061 6.754 1.00 0.14 C ATOM 1242 CG1 VAL A 418 2.067 0.160 5.997 1.00 0.14 C ATOM 1243 CG2 VAL A 418 4.274 0.294 7.096 1.00 0.17 C ATOM 0 H VAL A 418 3.853 3.446 7.609 1.00 0.15 H new ATOM 0 HA VAL A 418 4.021 1.973 5.088 1.00 0.11 H new ATOM 0 HB VAL A 418 2.528 1.395 7.665 1.00 0.14 H new ATOM 0 HG11 VAL A 418 1.821 -0.707 6.611 1.00 0.14 H new ATOM 0 HG12 VAL A 418 1.156 0.711 5.765 1.00 0.14 H new ATOM 0 HG13 VAL A 418 2.535 -0.172 5.071 1.00 0.14 H new ATOM 0 HG21 VAL A 418 4.011 -0.585 7.684 1.00 0.17 H new ATOM 0 HG22 VAL A 418 4.772 -0.019 6.178 1.00 0.17 H new ATOM 0 HG23 VAL A 418 4.945 0.930 7.674 1.00 0.17 H new ATOM 1253 N GLY A 419 1.734 2.483 4.222 1.00 0.10 N ATOM 1254 CA GLY A 419 0.556 3.013 3.579 1.00 0.08 C ATOM 1255 C GLY A 419 0.362 2.426 2.204 1.00 0.08 C ATOM 1256 O GLY A 419 1.005 1.432 1.856 1.00 0.09 O ATOM 0 H GLY A 419 2.195 1.730 3.711 1.00 0.10 H new ATOM 0 HA2 GLY A 419 -0.320 2.802 4.192 1.00 0.08 H new ATOM 0 HA3 GLY A 419 0.639 4.097 3.504 1.00 0.08 H new ATOM 1260 N ILE A 420 -0.506 3.036 1.416 1.00 0.08 N ATOM 1261 CA ILE A 420 -0.703 2.626 0.055 1.00 0.09 C ATOM 1262 C ILE A 420 0.002 3.614 -0.863 1.00 0.07 C ATOM 1263 O ILE A 420 -0.017 4.818 -0.608 1.00 0.08 O ATOM 1264 CB ILE A 420 -2.209 2.560 -0.282 1.00 0.10 C ATOM 1265 CG1 ILE A 420 -2.641 1.126 -0.540 1.00 0.11 C ATOM 1266 CG2 ILE A 420 -2.528 3.396 -1.484 1.00 0.12 C ATOM 1267 CD1 ILE A 420 -2.811 0.283 0.701 1.00 0.11 C ATOM 0 H ILE A 420 -1.086 3.823 1.708 1.00 0.08 H new ATOM 0 HA ILE A 420 -0.285 1.629 -0.087 1.00 0.09 H new ATOM 0 HB ILE A 420 -2.754 2.951 0.577 1.00 0.10 H new ATOM 0 HG12 ILE A 420 -3.584 1.138 -1.086 1.00 0.11 H new ATOM 0 HG13 ILE A 420 -1.904 0.650 -1.187 1.00 0.11 H new ATOM 0 HG21 ILE A 420 -3.595 3.332 -1.699 1.00 0.12 H new ATOM 0 HG22 ILE A 420 -2.260 4.434 -1.287 1.00 0.12 H new ATOM 0 HG23 ILE A 420 -1.962 3.031 -2.341 1.00 0.12 H new ATOM 0 HD11 ILE A 420 -3.120 -0.723 0.418 1.00 0.11 H new ATOM 0 HD12 ILE A 420 -1.865 0.234 1.240 1.00 0.11 H new ATOM 0 HD13 ILE A 420 -3.571 0.729 1.343 1.00 0.11 H new ATOM 1279 N HIS A 421 0.630 3.122 -1.910 1.00 0.07 N ATOM 1280 CA HIS A 421 1.294 4.007 -2.853 1.00 0.07 C ATOM 1281 C HIS A 421 1.320 3.421 -4.235 1.00 0.09 C ATOM 1282 O HIS A 421 1.106 2.233 -4.435 1.00 0.11 O ATOM 1283 CB HIS A 421 2.738 4.299 -2.465 1.00 0.09 C ATOM 1284 CG HIS A 421 3.618 3.101 -2.390 1.00 0.11 C ATOM 1285 ND1 HIS A 421 4.180 2.507 -3.493 1.00 0.12 N ATOM 1286 CD2 HIS A 421 4.083 2.433 -1.315 1.00 0.13 C ATOM 1287 CE1 HIS A 421 4.978 1.519 -3.058 1.00 0.15 C ATOM 1288 NE2 HIS A 421 4.949 1.432 -1.742 1.00 0.15 N ATOM 0 H HIS A 421 0.697 2.128 -2.131 1.00 0.07 H new ATOM 0 HA HIS A 421 0.713 4.929 -2.833 1.00 0.07 H new ATOM 0 HB2 HIS A 421 3.160 4.998 -3.188 1.00 0.09 H new ATOM 0 HB3 HIS A 421 2.745 4.799 -1.497 1.00 0.09 H new ATOM 0 HD2 HIS A 421 3.824 2.642 -0.287 1.00 0.13 H new ATOM 0 HE1 HIS A 421 5.566 0.880 -3.700 1.00 0.15 H new ATOM 0 HE2 HIS A 421 5.457 0.768 -1.158 1.00 0.15 H new ATOM 1296 N ASP A 422 1.627 4.284 -5.173 1.00 0.11 N ATOM 1297 CA ASP A 422 1.850 3.918 -6.528 1.00 0.14 C ATOM 1298 C ASP A 422 3.317 3.598 -6.679 1.00 0.19 C ATOM 1299 O ASP A 422 4.171 4.254 -6.083 1.00 0.29 O ATOM 1300 CB ASP A 422 1.448 5.086 -7.414 1.00 0.20 C ATOM 1301 CG ASP A 422 2.613 5.935 -7.857 1.00 0.31 C ATOM 1302 OD1 ASP A 422 3.049 6.796 -7.065 1.00 0.33 O1- ATOM 1303 OD2 ASP A 422 3.095 5.748 -8.992 1.00 0.42 O ATOM 0 H ASP A 422 1.728 5.284 -4.998 1.00 0.11 H new ATOM 0 HA ASP A 422 1.261 3.048 -6.817 1.00 0.14 H new ATOM 0 HB2 ASP A 422 0.932 4.703 -8.295 1.00 0.20 H new ATOM 0 HB3 ASP A 422 0.737 5.712 -6.875 1.00 0.20 H new ATOM 1308 N SER A 423 3.613 2.575 -7.424 1.00 0.15 N ATOM 1309 CA SER A 423 4.981 2.160 -7.573 1.00 0.19 C ATOM 1310 C SER A 423 5.318 2.028 -9.019 1.00 0.15 C ATOM 1311 O SER A 423 5.014 1.041 -9.689 1.00 0.16 O ATOM 1312 CB SER A 423 5.176 0.833 -6.849 1.00 0.26 C ATOM 1313 OG SER A 423 4.042 0.006 -7.032 1.00 1.48 O ATOM 0 H SER A 423 2.933 2.014 -7.936 1.00 0.15 H new ATOM 0 HA SER A 423 5.646 2.906 -7.138 1.00 0.19 H new ATOM 0 HB2 SER A 423 6.066 0.331 -7.228 1.00 0.26 H new ATOM 0 HB3 SER A 423 5.338 1.011 -5.786 1.00 0.26 H new ATOM 0 HG SER A 423 3.261 0.425 -6.614 1.00 1.48 H new ATOM 1319 N ASP A 424 5.963 3.063 -9.477 1.00 0.13 N ATOM 1320 CA ASP A 424 6.397 3.143 -10.840 1.00 0.13 C ATOM 1321 C ASP A 424 7.848 2.699 -10.972 1.00 0.12 C ATOM 1322 O ASP A 424 8.252 2.103 -11.968 1.00 0.15 O ATOM 1323 CB ASP A 424 6.144 4.548 -11.333 1.00 0.15 C ATOM 1324 CG ASP A 424 6.788 4.850 -12.671 1.00 0.25 C ATOM 1325 OD1 ASP A 424 6.202 4.493 -13.716 1.00 0.34 O ATOM 1326 OD2 ASP A 424 7.888 5.441 -12.684 1.00 0.35 O1- ATOM 0 H ASP A 424 6.203 3.878 -8.912 1.00 0.13 H new ATOM 0 HA ASP A 424 5.831 2.459 -11.472 1.00 0.13 H new ATOM 0 HB2 ASP A 424 5.069 4.707 -11.413 1.00 0.15 H new ATOM 0 HB3 ASP A 424 6.517 5.256 -10.593 1.00 0.15 H new ATOM 1331 N TRP A 425 8.625 3.014 -9.925 1.00 0.12 N ATOM 1332 CA TRP A 425 10.016 2.573 -9.802 1.00 0.14 C ATOM 1333 C TRP A 425 10.048 1.076 -9.623 1.00 0.15 C ATOM 1334 O TRP A 425 11.034 0.410 -9.920 1.00 0.18 O ATOM 1335 CB TRP A 425 10.671 3.229 -8.580 1.00 0.14 C ATOM 1336 CG TRP A 425 10.265 2.667 -7.258 1.00 0.12 C ATOM 1337 CD1 TRP A 425 10.740 1.560 -6.635 1.00 0.13 C ATOM 1338 CD2 TRP A 425 9.316 3.237 -6.389 1.00 0.12 C ATOM 1339 NE1 TRP A 425 10.134 1.413 -5.410 1.00 0.13 N ATOM 1340 CE2 TRP A 425 9.254 2.438 -5.238 1.00 0.12 C ATOM 1341 CE3 TRP A 425 8.518 4.354 -6.484 1.00 0.14 C ATOM 1342 CZ2 TRP A 425 8.409 2.737 -4.181 1.00 0.14 C ATOM 1343 CZ3 TRP A 425 7.687 4.656 -5.446 1.00 0.16 C ATOM 1344 CH2 TRP A 425 7.634 3.854 -4.301 1.00 0.15 C ATOM 0 H TRP A 425 8.303 3.582 -9.141 1.00 0.12 H new ATOM 0 HA TRP A 425 10.559 2.859 -10.703 1.00 0.14 H new ATOM 0 HB2 TRP A 425 11.753 3.140 -8.677 1.00 0.14 H new ATOM 0 HB3 TRP A 425 10.437 4.293 -8.591 1.00 0.14 H new ATOM 0 HD1 TRP A 425 11.485 0.892 -7.042 1.00 0.13 H new ATOM 0 HE1 TRP A 425 10.313 0.663 -4.743 1.00 0.13 H new ATOM 0 HE3 TRP A 425 8.549 4.979 -7.364 1.00 0.14 H new ATOM 0 HZ2 TRP A 425 8.366 2.113 -3.300 1.00 0.14 H new ATOM 0 HZ3 TRP A 425 7.058 5.531 -5.509 1.00 0.16 H new ATOM 0 HH2 TRP A 425 6.967 4.124 -3.496 1.00 0.15 H new ATOM 1355 N GLN A 426 8.957 0.588 -9.070 1.00 0.15 N ATOM 1356 CA GLN A 426 8.818 -0.803 -8.693 1.00 0.17 C ATOM 1357 C GLN A 426 7.688 -1.409 -9.456 1.00 0.18 C ATOM 1358 O GLN A 426 6.564 -1.550 -8.983 1.00 0.28 O ATOM 1359 CB GLN A 426 8.509 -0.865 -7.240 1.00 0.18 C ATOM 1360 CG GLN A 426 9.567 -1.536 -6.390 1.00 0.58 C ATOM 1361 CD GLN A 426 9.594 -3.044 -6.534 1.00 0.63 C ATOM 1362 OE1 GLN A 426 10.657 -3.651 -6.441 1.00 1.33 O ATOM 1363 NE2 GLN A 426 8.435 -3.674 -6.744 1.00 0.22 N ATOM 0 H GLN A 426 8.132 1.153 -8.867 1.00 0.15 H new ATOM 0 HA GLN A 426 9.738 -1.346 -8.911 1.00 0.17 H new ATOM 0 HB2 GLN A 426 8.358 0.150 -6.872 1.00 0.18 H new ATOM 0 HB3 GLN A 426 7.566 -1.396 -7.106 1.00 0.18 H new ATOM 0 HG2 GLN A 426 10.545 -1.136 -6.659 1.00 0.58 H new ATOM 0 HG3 GLN A 426 9.396 -1.282 -5.344 1.00 0.58 H new ATOM 0 HE21 GLN A 426 7.570 -3.139 -6.816 1.00 0.22 H new ATOM 0 HE22 GLN A 426 8.415 -4.690 -6.832 1.00 0.22 H new ATOM 1372 N PRO A 427 8.033 -1.773 -10.652 1.00 0.16 N ATOM 1373 CA PRO A 427 7.121 -2.018 -11.727 1.00 0.18 C ATOM 1374 C PRO A 427 6.459 -3.373 -11.668 1.00 0.16 C ATOM 1375 O PRO A 427 5.747 -3.762 -12.598 1.00 0.18 O ATOM 1376 CB PRO A 427 8.054 -1.929 -12.914 1.00 0.23 C ATOM 1377 CG PRO A 427 9.273 -2.553 -12.400 1.00 0.23 C ATOM 1378 CD PRO A 427 9.409 -1.952 -11.064 1.00 0.19 C ATOM 0 HA PRO A 427 6.278 -1.328 -11.733 1.00 0.18 H new ATOM 0 HB2 PRO A 427 7.660 -2.459 -13.781 1.00 0.23 H new ATOM 0 HB3 PRO A 427 8.224 -0.897 -13.221 1.00 0.23 H new ATOM 0 HG2 PRO A 427 9.181 -3.638 -12.348 1.00 0.23 H new ATOM 0 HG3 PRO A 427 10.135 -2.336 -13.031 1.00 0.23 H new ATOM 0 HD2 PRO A 427 9.954 -2.603 -10.381 1.00 0.19 H new ATOM 0 HD3 PRO A 427 9.947 -1.005 -11.099 1.00 0.19 H new ATOM 1386 N GLU A 428 6.709 -4.092 -10.588 1.00 0.14 N ATOM 1387 CA GLU A 428 6.159 -5.411 -10.430 1.00 0.14 C ATOM 1388 C GLU A 428 5.183 -5.461 -9.272 1.00 0.12 C ATOM 1389 O GLU A 428 5.300 -4.704 -8.316 1.00 0.15 O ATOM 1390 CB GLU A 428 7.250 -6.406 -10.169 1.00 0.17 C ATOM 1391 CG GLU A 428 6.963 -7.745 -10.768 1.00 0.22 C ATOM 1392 CD GLU A 428 7.527 -7.901 -12.164 1.00 0.64 C ATOM 1393 OE1 GLU A 428 6.964 -7.305 -13.106 1.00 1.10 O1- ATOM 1394 OE2 GLU A 428 8.539 -8.613 -12.325 1.00 0.98 O ATOM 0 H GLU A 428 7.291 -3.777 -9.811 1.00 0.14 H new ATOM 0 HA GLU A 428 5.638 -5.658 -11.355 1.00 0.14 H new ATOM 0 HB2 GLU A 428 8.188 -6.025 -10.573 1.00 0.17 H new ATOM 0 HB3 GLU A 428 7.387 -6.515 -9.093 1.00 0.17 H new ATOM 0 HG2 GLU A 428 7.379 -8.521 -10.125 1.00 0.22 H new ATOM 0 HG3 GLU A 428 5.884 -7.900 -10.798 1.00 0.22 H new ATOM 1401 N TYR A 429 4.256 -6.399 -9.380 1.00 0.11 N ATOM 1402 CA TYR A 429 3.107 -6.548 -8.483 1.00 0.10 C ATOM 1403 C TYR A 429 2.527 -7.918 -8.682 1.00 0.10 C ATOM 1404 O TYR A 429 2.171 -8.284 -9.804 1.00 0.14 O ATOM 1405 CB TYR A 429 1.992 -5.592 -8.842 1.00 0.13 C ATOM 1406 CG TYR A 429 2.424 -4.318 -9.517 1.00 0.16 C ATOM 1407 CD1 TYR A 429 2.770 -3.207 -8.768 1.00 0.19 C ATOM 1408 CD2 TYR A 429 2.502 -4.236 -10.896 1.00 0.23 C ATOM 1409 CE1 TYR A 429 3.188 -2.042 -9.378 1.00 0.25 C ATOM 1410 CE2 TYR A 429 2.915 -3.078 -11.515 1.00 0.29 C ATOM 1411 CZ TYR A 429 3.259 -1.982 -10.753 1.00 0.30 C ATOM 1412 OH TYR A 429 3.681 -0.826 -11.369 1.00 0.38 O ATOM 0 H TYR A 429 4.278 -7.104 -10.117 1.00 0.11 H new ATOM 0 HA TYR A 429 3.458 -6.363 -7.468 1.00 0.10 H new ATOM 0 HB2 TYR A 429 1.290 -6.109 -9.496 1.00 0.13 H new ATOM 0 HB3 TYR A 429 1.450 -5.335 -7.932 1.00 0.13 H new ATOM 0 HD1 TYR A 429 2.712 -3.252 -7.691 1.00 0.19 H new ATOM 0 HD2 TYR A 429 2.235 -5.094 -11.496 1.00 0.23 H new ATOM 0 HE1 TYR A 429 3.458 -1.183 -8.782 1.00 0.25 H new ATOM 0 HE2 TYR A 429 2.969 -3.028 -12.592 1.00 0.29 H new ATOM 0 HH TYR A 429 4.234 -0.308 -10.748 1.00 0.38 H new ATOM 1422 N GLY A 430 2.433 -8.671 -7.632 1.00 0.10 N ATOM 1423 CA GLY A 430 1.905 -9.995 -7.762 1.00 0.12 C ATOM 1424 C GLY A 430 2.549 -10.915 -6.777 1.00 0.13 C ATOM 1425 O GLY A 430 3.265 -10.434 -5.902 1.00 0.13 O ATOM 0 H GLY A 430 2.710 -8.399 -6.689 1.00 0.10 H new ATOM 0 HA2 GLY A 430 0.827 -9.980 -7.603 1.00 0.12 H new ATOM 0 HA3 GLY A 430 2.073 -10.362 -8.775 1.00 0.12 H new ATOM 1429 N GLY A 431 2.348 -12.224 -6.980 1.00 0.16 N ATOM 1430 CA GLY A 431 2.986 -13.266 -6.178 1.00 0.20 C ATOM 1431 C GLY A 431 4.328 -12.857 -5.621 1.00 0.17 C ATOM 1432 O GLY A 431 5.073 -12.142 -6.291 1.00 0.16 O ATOM 0 H GLY A 431 1.735 -12.587 -7.710 1.00 0.16 H new ATOM 0 HA2 GLY A 431 2.326 -13.535 -5.354 1.00 0.20 H new ATOM 0 HA3 GLY A 431 3.112 -14.159 -6.790 1.00 0.20 H new ATOM 1436 N ASP A 432 4.703 -13.430 -4.479 1.00 0.18 N ATOM 1437 CA ASP A 432 5.609 -12.771 -3.551 1.00 0.18 C ATOM 1438 C ASP A 432 6.854 -12.301 -4.227 1.00 0.18 C ATOM 1439 O ASP A 432 7.808 -13.027 -4.495 1.00 0.19 O ATOM 1440 CB ASP A 432 6.045 -13.731 -2.443 1.00 0.22 C ATOM 1441 CG ASP A 432 4.934 -14.576 -1.863 1.00 0.25 C ATOM 1442 OD1 ASP A 432 4.529 -15.554 -2.519 1.00 0.29 O ATOM 1443 OD2 ASP A 432 4.448 -14.261 -0.756 1.00 0.33 O1- ATOM 0 H ASP A 432 4.390 -14.353 -4.177 1.00 0.18 H new ATOM 0 HA ASP A 432 5.059 -11.922 -3.145 1.00 0.18 H new ATOM 0 HB2 ASP A 432 6.817 -14.392 -2.837 1.00 0.22 H new ATOM 0 HB3 ASP A 432 6.500 -13.153 -1.639 1.00 0.22 H new ATOM 1448 N LEU A 433 6.774 -11.025 -4.468 1.00 0.16 N ATOM 1449 CA LEU A 433 7.823 -10.225 -4.978 1.00 0.15 C ATOM 1450 C LEU A 433 8.484 -9.550 -3.822 1.00 0.14 C ATOM 1451 O LEU A 433 9.677 -9.296 -3.859 1.00 0.15 O ATOM 1452 CB LEU A 433 7.180 -9.249 -5.917 1.00 0.14 C ATOM 1453 CG LEU A 433 6.770 -9.866 -7.237 1.00 0.15 C ATOM 1454 CD1 LEU A 433 5.816 -8.953 -7.966 1.00 0.13 C ATOM 1455 CD2 LEU A 433 8.003 -10.163 -8.067 1.00 0.18 C ATOM 0 H LEU A 433 5.919 -10.494 -4.300 1.00 0.16 H new ATOM 0 HA LEU A 433 8.587 -10.789 -5.512 1.00 0.15 H new ATOM 0 HB2 LEU A 433 6.301 -8.819 -5.437 1.00 0.14 H new ATOM 0 HB3 LEU A 433 7.872 -8.429 -6.107 1.00 0.14 H new ATOM 0 HG LEU A 433 6.250 -10.806 -7.054 1.00 0.15 H new ATOM 0 HD11 LEU A 433 5.529 -9.409 -8.914 1.00 0.13 H new ATOM 0 HD12 LEU A 433 4.927 -8.794 -7.356 1.00 0.13 H new ATOM 0 HD13 LEU A 433 6.302 -7.996 -8.156 1.00 0.13 H new ATOM 0 HD21 LEU A 433 7.704 -10.607 -9.017 1.00 0.18 H new ATOM 0 HD22 LEU A 433 8.547 -9.237 -8.255 1.00 0.18 H new ATOM 0 HD23 LEU A 433 8.646 -10.859 -7.528 1.00 0.18 H new ATOM 1467 N TRP A 434 7.694 -9.231 -2.816 1.00 0.14 N ATOM 1468 CA TRP A 434 8.167 -8.453 -1.687 1.00 0.14 C ATOM 1469 C TRP A 434 9.507 -8.958 -1.182 1.00 0.17 C ATOM 1470 O TRP A 434 10.409 -8.170 -0.894 1.00 0.22 O ATOM 1471 CB TRP A 434 7.112 -8.407 -0.575 1.00 0.15 C ATOM 1472 CG TRP A 434 6.512 -9.735 -0.181 1.00 0.16 C ATOM 1473 CD1 TRP A 434 5.677 -10.519 -0.927 1.00 0.17 C ATOM 1474 CD2 TRP A 434 6.646 -10.397 1.084 1.00 0.16 C ATOM 1475 NE1 TRP A 434 5.342 -11.652 -0.217 1.00 0.18 N ATOM 1476 CE2 TRP A 434 5.916 -11.588 1.019 1.00 0.18 C ATOM 1477 CE3 TRP A 434 7.327 -10.105 2.258 1.00 0.17 C ATOM 1478 CZ2 TRP A 434 5.850 -12.480 2.086 1.00 0.19 C ATOM 1479 CZ3 TRP A 434 7.260 -10.981 3.318 1.00 0.19 C ATOM 1480 CH2 TRP A 434 6.527 -12.158 3.226 1.00 0.19 C ATOM 0 H TRP A 434 6.712 -9.501 -2.757 1.00 0.14 H new ATOM 0 HA TRP A 434 8.327 -7.430 -2.028 1.00 0.14 H new ATOM 0 HB2 TRP A 434 7.563 -7.957 0.309 1.00 0.15 H new ATOM 0 HB3 TRP A 434 6.306 -7.746 -0.893 1.00 0.15 H new ATOM 0 HD1 TRP A 434 5.332 -10.286 -1.923 1.00 0.17 H new ATOM 0 HE1 TRP A 434 4.759 -12.415 -0.560 1.00 0.18 H new ATOM 0 HE3 TRP A 434 7.906 -9.197 2.339 1.00 0.17 H new ATOM 0 HZ2 TRP A 434 5.282 -13.396 2.014 1.00 0.19 H new ATOM 0 HZ3 TRP A 434 7.784 -10.750 4.234 1.00 0.19 H new ATOM 0 HH2 TRP A 434 6.493 -12.829 4.071 1.00 0.19 H new ATOM 1491 N LYS A 435 9.656 -10.274 -1.211 1.00 0.17 N ATOM 1492 CA LYS A 435 10.823 -10.947 -0.699 1.00 0.19 C ATOM 1493 C LYS A 435 12.088 -10.533 -1.401 1.00 0.20 C ATOM 1494 O LYS A 435 13.180 -10.639 -0.852 1.00 0.22 O ATOM 1495 CB LYS A 435 10.632 -12.413 -0.873 1.00 0.20 C ATOM 1496 CG LYS A 435 9.539 -12.901 -0.005 1.00 0.22 C ATOM 1497 CD LYS A 435 9.432 -14.377 -0.083 1.00 0.26 C ATOM 1498 CE LYS A 435 8.197 -14.800 0.623 1.00 0.35 C ATOM 1499 NZ LYS A 435 8.407 -15.986 1.495 1.00 0.64 N1+ ATOM 0 H LYS A 435 8.955 -10.906 -1.598 1.00 0.17 H new ATOM 0 HA LYS A 435 10.932 -10.675 0.351 1.00 0.19 H new ATOM 0 HB2 LYS A 435 10.403 -12.634 -1.915 1.00 0.20 H new ATOM 0 HB3 LYS A 435 11.557 -12.937 -0.632 1.00 0.20 H new ATOM 0 HG2 LYS A 435 9.723 -12.598 1.026 1.00 0.22 H new ATOM 0 HG3 LYS A 435 8.596 -12.446 -0.308 1.00 0.22 H new ATOM 0 HD2 LYS A 435 9.402 -14.700 -1.124 1.00 0.26 H new ATOM 0 HD3 LYS A 435 10.306 -14.844 0.371 1.00 0.26 H new ATOM 0 HE2 LYS A 435 7.828 -13.971 1.228 1.00 0.35 H new ATOM 0 HE3 LYS A 435 7.424 -15.027 -0.111 1.00 0.35 H new ATOM 0 HZ1 LYS A 435 7.512 -16.236 1.962 1.00 0.64 H new ATOM 0 HZ2 LYS A 435 8.732 -16.788 0.918 1.00 0.64 H new ATOM 0 HZ3 LYS A 435 9.124 -15.765 2.216 1.00 0.64 H new ATOM 1513 N THR A 436 11.933 -10.070 -2.607 1.00 0.19 N ATOM 1514 CA THR A 436 13.064 -9.696 -3.405 1.00 0.21 C ATOM 1515 C THR A 436 13.042 -8.199 -3.671 1.00 0.19 C ATOM 1516 O THR A 436 14.075 -7.523 -3.666 1.00 0.23 O ATOM 1517 CB THR A 436 13.034 -10.465 -4.732 1.00 0.22 C ATOM 1518 OG1 THR A 436 11.889 -10.078 -5.502 1.00 0.21 O ATOM 1519 CG2 THR A 436 12.956 -11.951 -4.453 1.00 0.25 C ATOM 0 H THR A 436 11.029 -9.942 -3.062 1.00 0.19 H new ATOM 0 HA THR A 436 13.979 -9.943 -2.867 1.00 0.21 H new ATOM 0 HB THR A 436 13.941 -10.236 -5.291 1.00 0.22 H new ATOM 0 HG1 THR A 436 11.141 -9.883 -4.900 1.00 0.21 H new ATOM 0 HG21 THR A 436 12.935 -12.498 -5.396 1.00 0.25 H new ATOM 0 HG22 THR A 436 13.827 -12.259 -3.875 1.00 0.25 H new ATOM 0 HG23 THR A 436 12.050 -12.168 -3.887 1.00 0.25 H new ATOM 1527 N ARG A 437 11.834 -7.690 -3.849 1.00 0.16 N ATOM 1528 CA ARG A 437 11.627 -6.333 -4.321 1.00 0.15 C ATOM 1529 C ARG A 437 11.694 -5.306 -3.203 1.00 0.17 C ATOM 1530 O ARG A 437 11.818 -4.106 -3.448 1.00 0.20 O ATOM 1531 CB ARG A 437 10.300 -6.274 -5.026 1.00 0.14 C ATOM 1532 CG ARG A 437 10.174 -7.308 -6.099 1.00 0.15 C ATOM 1533 CD ARG A 437 9.408 -6.781 -7.289 1.00 0.17 C ATOM 1534 NE ARG A 437 10.159 -5.748 -7.997 1.00 0.23 N ATOM 1535 CZ ARG A 437 10.640 -5.878 -9.236 1.00 0.30 C ATOM 1536 NH1 ARG A 437 10.493 -7.020 -9.900 1.00 0.34 N1+ ATOM 1537 NH2 ARG A 437 11.286 -4.870 -9.801 1.00 0.36 N ATOM 0 H ARG A 437 10.972 -8.205 -3.671 1.00 0.16 H new ATOM 0 HA ARG A 437 12.434 -6.078 -5.008 1.00 0.15 H new ATOM 0 HB2 ARG A 437 9.500 -6.411 -4.299 1.00 0.14 H new ATOM 0 HB3 ARG A 437 10.168 -5.284 -5.463 1.00 0.14 H new ATOM 0 HG2 ARG A 437 11.167 -7.627 -6.416 1.00 0.15 H new ATOM 0 HG3 ARG A 437 9.669 -8.188 -5.700 1.00 0.15 H new ATOM 0 HD2 ARG A 437 9.185 -7.601 -7.971 1.00 0.17 H new ATOM 0 HD3 ARG A 437 8.453 -6.374 -6.957 1.00 0.17 H new ATOM 0 HE ARG A 437 10.328 -4.867 -7.512 1.00 0.23 H new ATOM 0 HH11 ARG A 437 10.010 -7.805 -9.464 1.00 0.34 H new ATOM 0 HH12 ARG A 437 10.863 -7.111 -10.846 1.00 0.34 H new ATOM 0 HH21 ARG A 437 11.415 -3.997 -9.290 1.00 0.36 H new ATOM 0 HH22 ARG A 437 11.654 -4.967 -10.747 1.00 0.36 H new ATOM 1551 N GLY A 438 11.615 -5.789 -1.986 1.00 0.16 N ATOM 1552 CA GLY A 438 12.097 -5.014 -0.852 1.00 0.17 C ATOM 1553 C GLY A 438 11.224 -3.839 -0.414 1.00 0.17 C ATOM 1554 O GLY A 438 11.753 -2.786 -0.059 1.00 0.21 O ATOM 0 H GLY A 438 11.228 -6.703 -1.750 1.00 0.16 H new ATOM 0 HA2 GLY A 438 12.215 -5.687 -0.003 1.00 0.17 H new ATOM 0 HA3 GLY A 438 13.088 -4.631 -1.096 1.00 0.17 H new ATOM 1558 N SER A 439 9.911 -4.010 -0.401 1.00 0.15 N ATOM 1559 CA SER A 439 9.009 -2.966 0.084 1.00 0.16 C ATOM 1560 C SER A 439 8.935 -3.020 1.620 1.00 0.14 C ATOM 1561 O SER A 439 8.800 -4.085 2.189 1.00 0.20 O ATOM 1562 CB SER A 439 7.624 -3.216 -0.496 1.00 0.22 C ATOM 1563 OG SER A 439 7.700 -3.470 -1.888 1.00 0.47 O ATOM 0 H SER A 439 9.443 -4.859 -0.719 1.00 0.15 H new ATOM 0 HA SER A 439 9.375 -1.986 -0.222 1.00 0.16 H new ATOM 0 HB2 SER A 439 7.161 -4.064 0.008 1.00 0.22 H new ATOM 0 HB3 SER A 439 6.987 -2.351 -0.314 1.00 0.22 H new ATOM 0 HG SER A 439 8.095 -2.696 -2.341 1.00 0.47 H new ATOM 1569 N HIS A 440 9.024 -1.876 2.289 1.00 0.14 N ATOM 1570 CA HIS A 440 9.109 -1.846 3.756 1.00 0.16 C ATOM 1571 C HIS A 440 7.755 -1.545 4.358 1.00 0.16 C ATOM 1572 O HIS A 440 7.534 -0.466 4.902 1.00 0.21 O ATOM 1573 CB HIS A 440 10.090 -0.782 4.259 1.00 0.22 C ATOM 1574 CG HIS A 440 11.500 -0.975 3.858 1.00 0.26 C ATOM 1575 ND1 HIS A 440 11.988 -0.554 2.655 1.00 0.33 N ATOM 1576 CD2 HIS A 440 12.551 -1.486 4.535 1.00 0.30 C ATOM 1577 CE1 HIS A 440 13.271 -0.790 2.605 1.00 0.41 C ATOM 1578 NE2 HIS A 440 13.643 -1.359 3.728 1.00 0.38 N ATOM 0 H HIS A 440 9.040 -0.957 1.847 1.00 0.14 H new ATOM 0 HA HIS A 440 9.462 -2.831 4.062 1.00 0.16 H new ATOM 0 HB2 HIS A 440 9.758 0.192 3.899 1.00 0.22 H new ATOM 0 HB3 HIS A 440 10.041 -0.753 5.348 1.00 0.22 H new ATOM 0 HD2 HIS A 440 12.531 -1.914 5.526 1.00 0.30 H new ATOM 0 HE1 HIS A 440 13.921 -0.555 1.775 1.00 0.41 H new ATOM 0 HE2 HIS A 440 14.591 -1.657 3.959 1.00 0.38 H new ATOM 1587 N GLY A 441 6.857 -2.513 4.254 1.00 0.15 N ATOM 1588 CA GLY A 441 5.523 -2.352 4.776 1.00 0.16 C ATOM 1589 C GLY A 441 4.667 -1.567 3.819 1.00 0.15 C ATOM 1590 O GLY A 441 3.466 -1.443 3.998 1.00 0.18 O ATOM 0 H GLY A 441 7.035 -3.415 3.812 1.00 0.15 H new ATOM 0 HA2 GLY A 441 5.076 -3.330 4.953 1.00 0.16 H new ATOM 0 HA3 GLY A 441 5.563 -1.841 5.738 1.00 0.16 H new ATOM 1594 N CYS A 442 5.304 -1.057 2.787 1.00 0.14 N ATOM 1595 CA CYS A 442 4.650 -0.218 1.812 1.00 0.16 C ATOM 1596 C CYS A 442 4.148 -1.048 0.647 1.00 0.18 C ATOM 1597 O CYS A 442 4.863 -1.886 0.093 1.00 0.28 O ATOM 1598 CB CYS A 442 5.630 0.843 1.349 1.00 0.20 C ATOM 1599 SG CYS A 442 7.197 0.187 0.724 1.00 0.83 S ATOM 0 H CYS A 442 6.295 -1.215 2.602 1.00 0.14 H new ATOM 0 HA CYS A 442 3.783 0.267 2.261 1.00 0.16 H new ATOM 0 HB2 CYS A 442 5.160 1.438 0.566 1.00 0.20 H new ATOM 0 HB3 CYS A 442 5.837 1.517 2.180 1.00 0.20 H new ATOM 0 HG CYS A 442 8.183 0.715 1.386 1.00 0.83 H new ATOM 1605 N ILE A 443 2.897 -0.824 0.303 1.00 0.13 N ATOM 1606 CA ILE A 443 2.214 -1.631 -0.678 1.00 0.12 C ATOM 1607 C ILE A 443 2.368 -1.033 -2.053 1.00 0.12 C ATOM 1608 O ILE A 443 1.875 0.061 -2.330 1.00 0.15 O ATOM 1609 CB ILE A 443 0.722 -1.803 -0.323 1.00 0.11 C ATOM 1610 CG1 ILE A 443 0.560 -2.824 0.811 1.00 0.10 C ATOM 1611 CG2 ILE A 443 -0.076 -2.238 -1.546 1.00 0.10 C ATOM 1612 CD1 ILE A 443 1.328 -2.514 2.067 1.00 0.10 C ATOM 0 H ILE A 443 2.327 -0.076 0.698 1.00 0.13 H new ATOM 0 HA ILE A 443 2.672 -2.620 -0.676 1.00 0.12 H new ATOM 0 HB ILE A 443 0.335 -0.841 0.014 1.00 0.11 H new ATOM 0 HG12 ILE A 443 -0.498 -2.901 1.061 1.00 0.10 H new ATOM 0 HG13 ILE A 443 0.873 -3.802 0.445 1.00 0.10 H new ATOM 0 HG21 ILE A 443 -1.125 -2.353 -1.274 1.00 0.10 H new ATOM 0 HG22 ILE A 443 0.015 -1.483 -2.327 1.00 0.10 H new ATOM 0 HG23 ILE A 443 0.310 -3.189 -1.913 1.00 0.10 H new ATOM 0 HD11 ILE A 443 1.147 -3.294 2.806 1.00 0.10 H new ATOM 0 HD12 ILE A 443 2.393 -2.469 1.840 1.00 0.10 H new ATOM 0 HD13 ILE A 443 1.001 -1.554 2.466 1.00 0.10 H new ATOM 1624 N ASN A 444 3.076 -1.758 -2.901 1.00 0.14 N ATOM 1625 CA ASN A 444 3.363 -1.288 -4.242 1.00 0.16 C ATOM 1626 C ASN A 444 2.148 -1.438 -5.143 1.00 0.11 C ATOM 1627 O ASN A 444 1.965 -2.471 -5.784 1.00 0.12 O ATOM 1628 CB ASN A 444 4.572 -2.013 -4.855 1.00 0.30 C ATOM 1629 CG ASN A 444 5.893 -1.717 -4.159 1.00 0.88 C ATOM 1630 OD1 ASN A 444 6.947 -1.773 -4.777 1.00 1.56 O ATOM 1631 ND2 ASN A 444 5.856 -1.409 -2.871 1.00 1.77 N ATOM 0 H ASN A 444 3.463 -2.676 -2.683 1.00 0.14 H new ATOM 0 HA ASN A 444 3.612 -0.230 -4.163 1.00 0.16 H new ATOM 0 HB2 ASN A 444 4.391 -3.087 -4.825 1.00 0.30 H new ATOM 0 HB3 ASN A 444 4.656 -1.733 -5.905 1.00 0.30 H new ATOM 0 HD21 ASN A 444 6.722 -1.211 -2.369 1.00 1.77 H new ATOM 0 HD22 ASN A 444 4.962 -1.370 -2.381 1.00 1.77 H new ATOM 1638 N THR A 445 1.321 -0.410 -5.179 1.00 0.11 N ATOM 1639 CA THR A 445 0.180 -0.370 -6.060 1.00 0.10 C ATOM 1640 C THR A 445 0.594 0.232 -7.383 1.00 0.11 C ATOM 1641 O THR A 445 1.353 1.195 -7.439 1.00 0.14 O ATOM 1642 CB THR A 445 -0.941 0.451 -5.411 1.00 0.11 C ATOM 1643 OG1 THR A 445 -1.199 -0.065 -4.103 1.00 0.18 O ATOM 1644 CG2 THR A 445 -2.203 0.409 -6.246 1.00 0.14 C ATOM 0 H THR A 445 1.426 0.420 -4.595 1.00 0.11 H new ATOM 0 HA THR A 445 -0.192 -1.379 -6.237 1.00 0.10 H new ATOM 0 HB THR A 445 -0.622 1.491 -5.344 1.00 0.11 H new ATOM 0 HG1 THR A 445 -2.106 -0.435 -4.070 1.00 0.18 H new ATOM 0 HG21 THR A 445 -2.980 1.000 -5.761 1.00 0.14 H new ATOM 0 HG22 THR A 445 -1.999 0.820 -7.235 1.00 0.14 H new ATOM 0 HG23 THR A 445 -2.540 -0.623 -6.344 1.00 0.14 H new ATOM 1652 N PRO A 446 0.148 -0.377 -8.470 1.00 0.09 N ATOM 1653 CA PRO A 446 0.479 0.062 -9.808 1.00 0.08 C ATOM 1654 C PRO A 446 0.086 1.487 -10.075 1.00 0.09 C ATOM 1655 O PRO A 446 -1.032 1.868 -9.770 1.00 0.12 O ATOM 1656 CB PRO A 446 -0.328 -0.841 -10.703 1.00 0.09 C ATOM 1657 CG PRO A 446 -0.573 -2.051 -9.879 1.00 0.10 C ATOM 1658 CD PRO A 446 -0.702 -1.564 -8.480 1.00 0.09 C ATOM 0 HA PRO A 446 1.556 0.014 -9.968 1.00 0.08 H new ATOM 0 HB2 PRO A 446 -1.263 -0.369 -11.005 1.00 0.09 H new ATOM 0 HB3 PRO A 446 0.215 -1.085 -11.616 1.00 0.09 H new ATOM 0 HG2 PRO A 446 -1.478 -2.566 -10.199 1.00 0.10 H new ATOM 0 HG3 PRO A 446 0.248 -2.761 -9.972 1.00 0.10 H new ATOM 0 HD2 PRO A 446 -1.735 -1.324 -8.229 1.00 0.09 H new ATOM 0 HD3 PRO A 446 -0.364 -2.309 -7.760 1.00 0.09 H new ATOM 1666 N PRO A 447 0.979 2.279 -10.628 1.00 0.09 N ATOM 1667 CA PRO A 447 0.820 3.734 -10.725 1.00 0.09 C ATOM 1668 C PRO A 447 -0.509 4.128 -11.313 1.00 0.09 C ATOM 1669 O PRO A 447 -1.183 5.045 -10.822 1.00 0.16 O ATOM 1670 CB PRO A 447 1.977 4.094 -11.644 1.00 0.10 C ATOM 1671 CG PRO A 447 2.996 3.126 -11.198 1.00 0.10 C ATOM 1672 CD PRO A 447 2.228 1.847 -11.249 1.00 0.09 C ATOM 0 HA PRO A 447 0.834 4.245 -9.763 1.00 0.09 H new ATOM 0 HB2 PRO A 447 1.722 3.970 -12.697 1.00 0.10 H new ATOM 0 HB3 PRO A 447 2.302 5.126 -11.514 1.00 0.10 H new ATOM 0 HG2 PRO A 447 3.864 3.110 -11.857 1.00 0.10 H new ATOM 0 HG3 PRO A 447 3.361 3.346 -10.195 1.00 0.10 H new ATOM 0 HD2 PRO A 447 2.085 1.487 -12.268 1.00 0.09 H new ATOM 0 HD3 PRO A 447 2.715 1.046 -10.693 1.00 0.09 H new ATOM 1680 N SER A 448 -0.915 3.367 -12.294 1.00 0.08 N ATOM 1681 CA SER A 448 -2.132 3.631 -12.992 1.00 0.09 C ATOM 1682 C SER A 448 -3.324 3.246 -12.124 1.00 0.09 C ATOM 1683 O SER A 448 -4.324 3.958 -12.072 1.00 0.11 O ATOM 1684 CB SER A 448 -2.148 2.859 -14.301 1.00 0.11 C ATOM 1685 OG SER A 448 -1.812 1.496 -14.086 1.00 1.17 O ATOM 0 H SER A 448 -0.407 2.548 -12.627 1.00 0.08 H new ATOM 0 HA SER A 448 -2.199 4.696 -13.214 1.00 0.09 H new ATOM 0 HB2 SER A 448 -3.136 2.927 -14.757 1.00 0.11 H new ATOM 0 HB3 SER A 448 -1.442 3.306 -15.001 1.00 0.11 H new ATOM 0 HG SER A 448 -1.830 1.016 -14.940 1.00 1.17 H new ATOM 1691 N VAL A 449 -3.196 2.131 -11.412 1.00 0.08 N ATOM 1692 CA VAL A 449 -4.262 1.651 -10.555 1.00 0.09 C ATOM 1693 C VAL A 449 -4.310 2.431 -9.240 1.00 0.10 C ATOM 1694 O VAL A 449 -5.369 2.605 -8.641 1.00 0.11 O ATOM 1695 CB VAL A 449 -4.092 0.160 -10.253 1.00 0.11 C ATOM 1696 CG1 VAL A 449 -5.210 -0.319 -9.345 1.00 0.17 C ATOM 1697 CG2 VAL A 449 -4.054 -0.652 -11.538 1.00 0.10 C ATOM 0 H VAL A 449 -2.361 1.545 -11.415 1.00 0.08 H new ATOM 0 HA VAL A 449 -5.199 1.804 -11.090 1.00 0.09 H new ATOM 0 HB VAL A 449 -3.141 0.016 -9.740 1.00 0.11 H new ATOM 0 HG11 VAL A 449 -5.080 -1.381 -9.136 1.00 0.17 H new ATOM 0 HG12 VAL A 449 -5.184 0.240 -8.410 1.00 0.17 H new ATOM 0 HG13 VAL A 449 -6.170 -0.161 -9.836 1.00 0.17 H new ATOM 0 HG21 VAL A 449 -3.933 -1.708 -11.298 1.00 0.10 H new ATOM 0 HG22 VAL A 449 -4.985 -0.509 -12.086 1.00 0.10 H new ATOM 0 HG23 VAL A 449 -3.217 -0.321 -12.153 1.00 0.10 H new ATOM 1707 N MET A 450 -3.164 2.915 -8.800 1.00 0.10 N ATOM 1708 CA MET A 450 -3.067 3.693 -7.592 1.00 0.11 C ATOM 1709 C MET A 450 -3.771 5.028 -7.775 1.00 0.10 C ATOM 1710 O MET A 450 -4.122 5.702 -6.834 1.00 0.14 O ATOM 1711 CB MET A 450 -1.599 3.879 -7.296 1.00 0.13 C ATOM 1712 CG MET A 450 -1.359 4.602 -6.023 1.00 0.13 C ATOM 1713 SD MET A 450 -2.418 4.032 -4.707 1.00 0.46 S ATOM 1714 CE MET A 450 -2.461 5.529 -3.751 1.00 0.10 C ATOM 0 H MET A 450 -2.273 2.776 -9.277 1.00 0.10 H new ATOM 0 HA MET A 450 -3.551 3.188 -6.756 1.00 0.11 H new ATOM 0 HB2 MET A 450 -1.115 2.903 -7.252 1.00 0.13 H new ATOM 0 HB3 MET A 450 -1.134 4.429 -8.115 1.00 0.13 H new ATOM 0 HG2 MET A 450 -0.317 4.476 -5.728 1.00 0.13 H new ATOM 0 HG3 MET A 450 -1.519 5.669 -6.178 1.00 0.13 H new ATOM 0 HE1 MET A 450 -3.413 5.597 -3.224 1.00 0.10 H new ATOM 0 HE2 MET A 450 -1.646 5.522 -3.028 1.00 0.10 H new ATOM 0 HE3 MET A 450 -2.351 6.387 -4.414 1.00 0.10 H new ATOM 1724 N LYS A 451 -3.935 5.380 -9.032 1.00 0.11 N ATOM 1725 CA LYS A 451 -4.646 6.568 -9.478 1.00 0.11 C ATOM 1726 C LYS A 451 -6.126 6.389 -9.364 1.00 0.10 C ATOM 1727 O LYS A 451 -6.889 7.334 -9.208 1.00 0.14 O ATOM 1728 CB LYS A 451 -4.292 6.724 -10.924 1.00 0.14 C ATOM 1729 CG LYS A 451 -4.628 8.042 -11.504 1.00 0.22 C ATOM 1730 CD LYS A 451 -5.721 7.902 -12.513 1.00 0.68 C ATOM 1731 CE LYS A 451 -5.446 6.699 -13.350 1.00 0.63 C ATOM 1732 NZ LYS A 451 -5.853 6.871 -14.770 1.00 0.81 N1+ ATOM 0 H LYS A 451 -3.564 4.827 -9.805 1.00 0.11 H new ATOM 0 HA LYS A 451 -4.371 7.432 -8.873 1.00 0.11 H new ATOM 0 HB2 LYS A 451 -3.222 6.552 -11.043 1.00 0.14 H new ATOM 0 HB3 LYS A 451 -4.804 5.950 -11.495 1.00 0.14 H new ATOM 0 HG2 LYS A 451 -4.939 8.726 -10.714 1.00 0.22 H new ATOM 0 HG3 LYS A 451 -3.745 8.476 -11.973 1.00 0.22 H new ATOM 0 HD2 LYS A 451 -6.685 7.803 -12.015 1.00 0.68 H new ATOM 0 HD3 LYS A 451 -5.775 8.793 -13.138 1.00 0.68 H new ATOM 0 HE2 LYS A 451 -4.381 6.471 -13.309 1.00 0.63 H new ATOM 0 HE3 LYS A 451 -5.972 5.842 -12.929 1.00 0.63 H new ATOM 0 HZ1 LYS A 451 -5.637 6.003 -15.301 1.00 0.81 H new ATOM 0 HZ2 LYS A 451 -6.874 7.061 -14.818 1.00 0.81 H new ATOM 0 HZ3 LYS A 451 -5.333 7.670 -15.186 1.00 0.81 H new ATOM 1746 N GLU A 452 -6.492 5.152 -9.505 1.00 0.09 N ATOM 1747 CA GLU A 452 -7.849 4.716 -9.421 1.00 0.08 C ATOM 1748 C GLU A 452 -8.218 4.705 -7.995 1.00 0.07 C ATOM 1749 O GLU A 452 -9.259 5.185 -7.580 1.00 0.08 O ATOM 1750 CB GLU A 452 -7.925 3.315 -9.975 1.00 0.08 C ATOM 1751 CG GLU A 452 -7.303 3.184 -11.330 1.00 0.09 C ATOM 1752 CD GLU A 452 -8.201 3.668 -12.449 1.00 0.13 C ATOM 1753 OE1 GLU A 452 -8.167 4.876 -12.766 1.00 0.31 O1- ATOM 1754 OE2 GLU A 452 -8.949 2.845 -13.013 1.00 0.38 O ATOM 0 H GLU A 452 -5.832 4.396 -9.687 1.00 0.09 H new ATOM 0 HA GLU A 452 -8.520 5.368 -9.981 1.00 0.08 H new ATOM 0 HB2 GLU A 452 -7.429 2.631 -9.286 1.00 0.08 H new ATOM 0 HB3 GLU A 452 -8.970 3.009 -10.030 1.00 0.08 H new ATOM 0 HG2 GLU A 452 -6.371 3.749 -11.351 1.00 0.09 H new ATOM 0 HG3 GLU A 452 -7.046 2.139 -11.505 1.00 0.09 H new ATOM 1761 N LEU A 453 -7.314 4.121 -7.268 1.00 0.06 N ATOM 1762 CA LEU A 453 -7.376 4.057 -5.871 1.00 0.05 C ATOM 1763 C LEU A 453 -7.281 5.406 -5.230 1.00 0.05 C ATOM 1764 O LEU A 453 -8.205 5.843 -4.601 1.00 0.05 O ATOM 1765 CB LEU A 453 -6.224 3.286 -5.356 1.00 0.05 C ATOM 1766 CG LEU A 453 -6.344 2.951 -3.913 1.00 0.05 C ATOM 1767 CD1 LEU A 453 -7.515 2.036 -3.712 1.00 0.06 C ATOM 1768 CD2 LEU A 453 -5.065 2.338 -3.414 1.00 0.06 C ATOM 0 H LEU A 453 -6.491 3.665 -7.662 1.00 0.06 H new ATOM 0 HA LEU A 453 -8.335 3.597 -5.632 1.00 0.05 H new ATOM 0 HB2 LEU A 453 -6.126 2.364 -5.930 1.00 0.05 H new ATOM 0 HB3 LEU A 453 -5.311 3.859 -5.515 1.00 0.05 H new ATOM 0 HG LEU A 453 -6.516 3.859 -3.335 1.00 0.05 H new ATOM 0 HD11 LEU A 453 -7.606 1.788 -2.654 1.00 0.06 H new ATOM 0 HD12 LEU A 453 -8.426 2.531 -4.048 1.00 0.06 H new ATOM 0 HD13 LEU A 453 -7.366 1.122 -4.287 1.00 0.06 H new ATOM 0 HD21 LEU A 453 -5.166 2.097 -2.356 1.00 0.06 H new ATOM 0 HD22 LEU A 453 -4.855 1.427 -3.975 1.00 0.06 H new ATOM 0 HD23 LEU A 453 -4.246 3.044 -3.549 1.00 0.06 H new ATOM 1780 N PHE A 454 -6.139 6.051 -5.351 1.00 0.07 N ATOM 1781 CA PHE A 454 -5.980 7.387 -4.815 1.00 0.08 C ATOM 1782 C PHE A 454 -7.142 8.239 -5.301 1.00 0.09 C ATOM 1783 O PHE A 454 -7.554 9.223 -4.689 1.00 0.10 O ATOM 1784 CB PHE A 454 -4.669 8.018 -5.276 1.00 0.13 C ATOM 1785 CG PHE A 454 -4.291 9.225 -4.480 1.00 0.17 C ATOM 1786 CD1 PHE A 454 -3.687 9.098 -3.242 1.00 0.19 C ATOM 1787 CD2 PHE A 454 -4.532 10.490 -4.980 1.00 0.25 C ATOM 1788 CE1 PHE A 454 -3.335 10.215 -2.517 1.00 0.25 C ATOM 1789 CE2 PHE A 454 -4.184 11.612 -4.264 1.00 0.31 C ATOM 1790 CZ PHE A 454 -3.595 11.447 -2.984 1.00 0.29 C ATOM 0 H PHE A 454 -5.311 5.674 -5.813 1.00 0.07 H new ATOM 0 HA PHE A 454 -5.964 7.331 -3.727 1.00 0.08 H new ATOM 0 HB2 PHE A 454 -3.871 7.278 -5.205 1.00 0.13 H new ATOM 0 HB3 PHE A 454 -4.755 8.295 -6.327 1.00 0.13 H new ATOM 0 HD1 PHE A 454 -3.490 8.115 -2.841 1.00 0.19 H new ATOM 0 HD2 PHE A 454 -5.000 10.600 -5.947 1.00 0.25 H new ATOM 0 HE1 PHE A 454 -2.844 10.099 -1.562 1.00 0.25 H new ATOM 0 HE2 PHE A 454 -4.356 12.599 -4.668 1.00 0.31 H new ATOM 0 HZ PHE A 454 -3.355 12.313 -2.385 1.00 0.29 H new ATOM 1800 N GLY A 455 -7.665 7.784 -6.430 1.00 0.09 N ATOM 1801 CA GLY A 455 -8.754 8.430 -7.086 1.00 0.11 C ATOM 1802 C GLY A 455 -10.078 8.187 -6.368 1.00 0.10 C ATOM 1803 O GLY A 455 -11.001 8.994 -6.472 1.00 0.13 O ATOM 0 H GLY A 455 -7.331 6.947 -6.908 1.00 0.09 H new ATOM 0 HA2 GLY A 455 -8.561 9.502 -7.139 1.00 0.11 H new ATOM 0 HA3 GLY A 455 -8.826 8.068 -8.112 1.00 0.11 H new ATOM 1807 N MET A 456 -10.186 7.044 -5.673 1.00 0.08 N ATOM 1808 CA MET A 456 -11.316 6.773 -4.785 1.00 0.09 C ATOM 1809 C MET A 456 -11.042 7.262 -3.370 1.00 0.10 C ATOM 1810 O MET A 456 -11.858 7.949 -2.751 1.00 0.13 O ATOM 1811 CB MET A 456 -11.617 5.269 -4.715 1.00 0.08 C ATOM 1812 CG MET A 456 -10.460 4.372 -5.015 1.00 0.06 C ATOM 1813 SD MET A 456 -10.941 2.720 -5.521 1.00 0.06 S ATOM 1814 CE MET A 456 -11.623 3.071 -7.116 1.00 0.07 C ATOM 0 H MET A 456 -9.498 6.292 -5.713 1.00 0.08 H new ATOM 0 HA MET A 456 -12.170 7.307 -5.201 1.00 0.09 H new ATOM 0 HB2 MET A 456 -11.988 5.035 -3.717 1.00 0.08 H new ATOM 0 HB3 MET A 456 -12.422 5.043 -5.415 1.00 0.08 H new ATOM 0 HG2 MET A 456 -9.857 4.823 -5.803 1.00 0.06 H new ATOM 0 HG3 MET A 456 -9.827 4.302 -4.130 1.00 0.06 H new ATOM 0 HE1 MET A 456 -11.940 2.141 -7.589 1.00 0.07 H new ATOM 0 HE2 MET A 456 -12.481 3.734 -7.007 1.00 0.07 H new ATOM 0 HE3 MET A 456 -10.868 3.554 -7.736 1.00 0.07 H new ATOM 1824 N VAL A 457 -9.875 6.901 -2.882 1.00 0.08 N ATOM 1825 CA VAL A 457 -9.540 7.029 -1.484 1.00 0.10 C ATOM 1826 C VAL A 457 -8.643 8.185 -1.169 1.00 0.17 C ATOM 1827 O VAL A 457 -7.653 8.476 -1.835 1.00 0.23 O ATOM 1828 CB VAL A 457 -8.945 5.726 -0.938 1.00 0.06 C ATOM 1829 CG1 VAL A 457 -8.060 5.070 -1.972 1.00 0.06 C ATOM 1830 CG2 VAL A 457 -8.196 5.947 0.368 1.00 0.10 C ATOM 0 H VAL A 457 -9.126 6.507 -3.452 1.00 0.08 H new ATOM 0 HA VAL A 457 -10.485 7.237 -0.981 1.00 0.10 H new ATOM 0 HB VAL A 457 -9.773 5.052 -0.719 1.00 0.06 H new ATOM 0 HG11 VAL A 457 -7.647 4.147 -1.565 1.00 0.06 H new ATOM 0 HG12 VAL A 457 -8.647 4.844 -2.862 1.00 0.06 H new ATOM 0 HG13 VAL A 457 -7.246 5.746 -2.236 1.00 0.06 H new ATOM 0 HG21 VAL A 457 -7.791 4.998 0.720 1.00 0.10 H new ATOM 0 HG22 VAL A 457 -7.381 6.652 0.205 1.00 0.10 H new ATOM 0 HG23 VAL A 457 -8.879 6.349 1.116 1.00 0.10 H new ATOM 1840 N GLU A 458 -9.042 8.793 -0.091 1.00 0.18 N ATOM 1841 CA GLU A 458 -8.447 9.931 0.476 1.00 0.26 C ATOM 1842 C GLU A 458 -8.396 9.697 1.946 1.00 0.15 C ATOM 1843 O GLU A 458 -8.788 8.616 2.396 1.00 0.08 O ATOM 1844 CB GLU A 458 -9.280 11.142 0.153 1.00 0.42 C ATOM 1845 CG GLU A 458 -10.744 10.883 0.353 1.00 0.46 C ATOM 1846 CD GLU A 458 -11.618 12.055 -0.035 1.00 0.66 C ATOM 1847 OE1 GLU A 458 -11.997 12.152 -1.220 1.00 0.82 O1- ATOM 1848 OE2 GLU A 458 -11.931 12.884 0.843 1.00 0.83 O ATOM 0 H GLU A 458 -9.851 8.471 0.440 1.00 0.18 H new ATOM 0 HA GLU A 458 -7.445 10.104 0.084 1.00 0.26 H new ATOM 0 HB2 GLU A 458 -8.969 11.975 0.783 1.00 0.42 H new ATOM 0 HB3 GLU A 458 -9.102 11.440 -0.880 1.00 0.42 H new ATOM 0 HG2 GLU A 458 -11.035 10.012 -0.234 1.00 0.46 H new ATOM 0 HG3 GLU A 458 -10.923 10.636 1.400 1.00 0.46 H new ATOM 1855 N LYS A 459 -7.900 10.647 2.701 1.00 0.19 N ATOM 1856 CA LYS A 459 -7.884 10.484 4.104 1.00 0.13 C ATOM 1857 C LYS A 459 -9.218 10.119 4.664 1.00 0.14 C ATOM 1858 O LYS A 459 -10.277 10.293 4.052 1.00 0.21 O ATOM 1859 CB LYS A 459 -7.347 11.691 4.797 1.00 0.14 C ATOM 1860 CG LYS A 459 -5.883 11.771 4.725 1.00 0.15 C ATOM 1861 CD LYS A 459 -5.452 12.931 5.517 1.00 0.15 C ATOM 1862 CE LYS A 459 -5.520 14.162 4.688 1.00 0.20 C ATOM 1863 NZ LYS A 459 -4.918 15.345 5.358 1.00 0.24 N1+ ATOM 0 H LYS A 459 -7.510 11.525 2.358 1.00 0.19 H new ATOM 0 HA LYS A 459 -7.212 9.647 4.293 1.00 0.13 H new ATOM 0 HB2 LYS A 459 -7.780 12.586 4.350 1.00 0.14 H new ATOM 0 HB3 LYS A 459 -7.657 11.675 5.842 1.00 0.14 H new ATOM 0 HG2 LYS A 459 -5.432 10.857 5.111 1.00 0.15 H new ATOM 0 HG3 LYS A 459 -5.557 11.874 3.690 1.00 0.15 H new ATOM 0 HD2 LYS A 459 -6.087 13.038 6.396 1.00 0.15 H new ATOM 0 HD3 LYS A 459 -4.434 12.779 5.876 1.00 0.15 H new ATOM 0 HE2 LYS A 459 -5.007 13.986 3.743 1.00 0.20 H new ATOM 0 HE3 LYS A 459 -6.562 14.377 4.450 1.00 0.20 H new ATOM 0 HZ1 LYS A 459 -4.994 16.173 4.734 1.00 0.24 H new ATOM 0 HZ2 LYS A 459 -5.423 15.534 6.248 1.00 0.24 H new ATOM 0 HZ3 LYS A 459 -3.916 15.156 5.562 1.00 0.24 H new ATOM 1877 N GLY A 460 -9.137 9.619 5.854 1.00 0.13 N ATOM 1878 CA GLY A 460 -10.310 9.193 6.539 1.00 0.19 C ATOM 1879 C GLY A 460 -10.622 7.740 6.300 1.00 0.19 C ATOM 1880 O GLY A 460 -11.119 7.051 7.191 1.00 0.37 O ATOM 0 H GLY A 460 -8.267 9.496 6.372 1.00 0.13 H new ATOM 0 HA2 GLY A 460 -10.184 9.363 7.608 1.00 0.19 H new ATOM 0 HA3 GLY A 460 -11.156 9.801 6.217 1.00 0.19 H new ATOM 1884 N THR A 461 -10.312 7.275 5.098 1.00 0.12 N ATOM 1885 CA THR A 461 -10.610 5.931 4.694 1.00 0.10 C ATOM 1886 C THR A 461 -9.605 4.986 5.323 1.00 0.09 C ATOM 1887 O THR A 461 -8.431 5.316 5.466 1.00 0.12 O ATOM 1888 CB THR A 461 -10.567 5.829 3.151 1.00 0.11 C ATOM 1889 OG1 THR A 461 -11.750 6.419 2.590 1.00 0.15 O ATOM 1890 CG2 THR A 461 -10.413 4.384 2.658 1.00 0.08 C ATOM 0 H THR A 461 -9.845 7.831 4.381 1.00 0.12 H new ATOM 0 HA THR A 461 -11.610 5.655 5.029 1.00 0.10 H new ATOM 0 HB THR A 461 -9.685 6.375 2.816 1.00 0.11 H new ATOM 0 HG1 THR A 461 -11.717 6.353 1.613 1.00 0.15 H new ATOM 0 HG21 THR A 461 -10.389 4.372 1.568 1.00 0.08 H new ATOM 0 HG22 THR A 461 -9.485 3.964 3.046 1.00 0.08 H new ATOM 0 HG23 THR A 461 -11.256 3.788 3.009 1.00 0.08 H new ATOM 1898 N PRO A 462 -10.054 3.823 5.755 1.00 0.08 N ATOM 1899 CA PRO A 462 -9.172 2.815 6.246 1.00 0.10 C ATOM 1900 C PRO A 462 -8.421 2.170 5.132 1.00 0.09 C ATOM 1901 O PRO A 462 -8.747 2.318 3.962 1.00 0.10 O ATOM 1902 CB PRO A 462 -10.074 1.772 6.885 1.00 0.12 C ATOM 1903 CG PRO A 462 -11.427 2.332 6.838 1.00 0.09 C ATOM 1904 CD PRO A 462 -11.433 3.383 5.793 1.00 0.07 C ATOM 0 HA PRO A 462 -8.444 3.240 6.937 1.00 0.10 H new ATOM 0 HB2 PRO A 462 -10.023 0.827 6.344 1.00 0.12 H new ATOM 0 HB3 PRO A 462 -9.770 1.569 7.912 1.00 0.12 H new ATOM 0 HG2 PRO A 462 -12.156 1.556 6.606 1.00 0.09 H new ATOM 0 HG3 PRO A 462 -11.703 2.751 7.806 1.00 0.09 H new ATOM 0 HD2 PRO A 462 -11.757 2.990 4.829 1.00 0.07 H new ATOM 0 HD3 PRO A 462 -12.109 4.199 6.047 1.00 0.07 H new ATOM 1912 N VAL A 463 -7.436 1.441 5.506 1.00 0.09 N ATOM 1913 CA VAL A 463 -6.795 0.545 4.598 1.00 0.14 C ATOM 1914 C VAL A 463 -6.588 -0.751 5.319 1.00 0.12 C ATOM 1915 O VAL A 463 -6.613 -0.808 6.546 1.00 0.22 O ATOM 1916 CB VAL A 463 -5.456 1.054 4.013 1.00 0.27 C ATOM 1917 CG1 VAL A 463 -5.467 2.550 3.811 1.00 1.07 C ATOM 1918 CG2 VAL A 463 -4.281 0.640 4.835 1.00 1.09 C ATOM 0 H VAL A 463 -7.046 1.443 6.448 1.00 0.09 H new ATOM 0 HA VAL A 463 -7.446 0.438 3.730 1.00 0.14 H new ATOM 0 HB VAL A 463 -5.351 0.581 3.036 1.00 0.27 H new ATOM 0 HG11 VAL A 463 -4.509 2.869 3.399 1.00 1.07 H new ATOM 0 HG12 VAL A 463 -6.266 2.818 3.120 1.00 1.07 H new ATOM 0 HG13 VAL A 463 -5.633 3.045 4.768 1.00 1.07 H new ATOM 0 HG21 VAL A 463 -3.367 1.022 4.381 1.00 1.09 H new ATOM 0 HG22 VAL A 463 -4.382 1.043 5.843 1.00 1.09 H new ATOM 0 HG23 VAL A 463 -4.235 -0.448 4.882 1.00 1.09 H new ATOM 1928 N LEU A 464 -6.465 -1.786 4.572 1.00 0.07 N ATOM 1929 CA LEU A 464 -6.269 -3.076 5.131 1.00 0.06 C ATOM 1930 C LEU A 464 -5.091 -3.726 4.514 1.00 0.06 C ATOM 1931 O LEU A 464 -4.776 -3.485 3.365 1.00 0.06 O ATOM 1932 CB LEU A 464 -7.480 -3.895 4.825 1.00 0.06 C ATOM 1933 CG LEU A 464 -8.114 -4.589 5.997 1.00 0.08 C ATOM 1934 CD1 LEU A 464 -8.449 -3.575 7.077 1.00 0.12 C ATOM 1935 CD2 LEU A 464 -9.343 -5.306 5.509 1.00 0.13 C ATOM 0 H LEU A 464 -6.497 -1.765 3.553 1.00 0.07 H new ATOM 0 HA LEU A 464 -6.107 -2.993 6.206 1.00 0.06 H new ATOM 0 HB2 LEU A 464 -8.226 -3.248 4.363 1.00 0.06 H new ATOM 0 HB3 LEU A 464 -7.209 -4.648 4.085 1.00 0.06 H new ATOM 0 HG LEU A 464 -7.429 -5.315 6.435 1.00 0.08 H new ATOM 0 HD11 LEU A 464 -8.908 -4.084 7.924 1.00 0.12 H new ATOM 0 HD12 LEU A 464 -7.536 -3.077 7.404 1.00 0.12 H new ATOM 0 HD13 LEU A 464 -9.143 -2.835 6.679 1.00 0.12 H new ATOM 0 HD21 LEU A 464 -9.821 -5.818 6.344 1.00 0.13 H new ATOM 0 HD22 LEU A 464 -10.038 -4.585 5.079 1.00 0.13 H new ATOM 0 HD23 LEU A 464 -9.061 -6.035 4.749 1.00 0.13 H new ATOM 1947 N VAL A 465 -4.410 -4.479 5.318 1.00 0.06 N ATOM 1948 CA VAL A 465 -3.446 -5.420 4.857 1.00 0.06 C ATOM 1949 C VAL A 465 -3.540 -6.628 5.763 1.00 0.08 C ATOM 1950 O VAL A 465 -3.890 -6.483 6.937 1.00 0.09 O ATOM 1951 CB VAL A 465 -2.007 -4.856 4.812 1.00 0.06 C ATOM 1952 CG1 VAL A 465 -1.965 -3.372 4.453 1.00 0.07 C ATOM 1953 CG2 VAL A 465 -1.267 -5.123 6.067 1.00 0.07 C ATOM 0 H VAL A 465 -4.512 -4.455 6.333 1.00 0.06 H new ATOM 0 HA VAL A 465 -3.668 -5.683 3.823 1.00 0.06 H new ATOM 0 HB VAL A 465 -1.501 -5.391 4.008 1.00 0.06 H new ATOM 0 HG11 VAL A 465 -0.930 -3.031 4.436 1.00 0.07 H new ATOM 0 HG12 VAL A 465 -2.412 -3.223 3.470 1.00 0.07 H new ATOM 0 HG13 VAL A 465 -2.523 -2.802 5.196 1.00 0.07 H new ATOM 0 HG21 VAL A 465 -0.261 -4.710 5.991 1.00 0.07 H new ATOM 0 HG22 VAL A 465 -1.789 -4.657 6.903 1.00 0.07 H new ATOM 0 HG23 VAL A 465 -1.206 -6.199 6.231 1.00 0.07 H new ATOM 1963 N PHE A 466 -3.285 -7.807 5.226 1.00 0.11 N ATOM 1964 CA PHE A 466 -3.413 -9.028 5.998 1.00 0.14 C ATOM 1965 C PHE A 466 -2.757 -10.205 5.295 1.00 0.19 C ATOM 1966 O PHE A 466 -2.226 -11.088 5.999 1.00 1.16 O ATOM 1967 CB PHE A 466 -4.882 -9.312 6.296 1.00 0.13 C ATOM 1968 CG PHE A 466 -5.777 -9.267 5.092 1.00 0.12 C ATOM 1969 CD1 PHE A 466 -5.762 -10.307 4.188 1.00 0.14 C ATOM 1970 CD2 PHE A 466 -6.618 -8.191 4.856 1.00 0.14 C ATOM 1971 CE1 PHE A 466 -6.570 -10.282 3.079 1.00 0.18 C ATOM 1972 CE2 PHE A 466 -7.434 -8.164 3.741 1.00 0.17 C ATOM 1973 CZ PHE A 466 -7.451 -9.152 2.887 1.00 0.19 C ATOM 1974 OXT PHE A 466 -2.769 -10.240 4.048 1.00 1.08 O ATOM 0 H PHE A 466 -2.989 -7.944 4.260 1.00 0.11 H new ATOM 0 HA PHE A 466 -2.889 -8.888 6.943 1.00 0.14 H new ATOM 0 HB2 PHE A 466 -4.963 -10.296 6.758 1.00 0.13 H new ATOM 0 HB3 PHE A 466 -5.239 -8.586 7.027 1.00 0.13 H new ATOM 0 HD1 PHE A 466 -5.108 -11.150 4.354 1.00 0.14 H new ATOM 0 HD2 PHE A 466 -6.636 -7.365 5.551 1.00 0.14 H new ATOM 0 HE1 PHE A 466 -6.548 -11.091 2.364 1.00 0.18 H new ATOM 0 HE2 PHE A 466 -8.071 -7.308 3.572 1.00 0.17 H new ATOM 0 HZ PHE A 466 -8.121 -9.125 2.040 1.00 0.19 H new TER 1984 PHE A 466