USER MOD reduce.3.24.130724 H: found=0, std=0, add=954, rem=0, adj=37 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 403 TYR OH : rot 30:sc= -1.92! USER MOD Set 1.2: A 421 HIS :FLIP no HE2:sc= -7.01! C(o=-19!,f=-18!) USER MOD Set 1.3: A 423 SER OG : rot 75:sc= -2! USER MOD Set 1.4: A 426 GLN : amide:sc= -4.15! C(o=-18!,f=-25!) USER MOD Set 1.5: A 439 SER OG : rot 173:sc= 0.415 USER MOD Set 1.6: A 442 CYS SG : rot 180:sc= -1.27 USER MOD Set 1.7: A 444 ASN : amide:sc= -1.94! C(o=-18!,f=-27!) USER MOD Set 2.1: A 411 MET CE :methyl -167:sc= -6.88! (180deg=-7.41!) USER MOD Set 2.2: A 450 MET CE :methyl 152:sc= -4.39! (180deg=-6.31!) USER MOD Set 3.1: A 370 SER OG : rot 44:sc= 0.23 USER MOD Set 3.2: A 377 THR OG1 : rot -126:sc= 0.773 USER MOD Set 4.1: A 372 LYS NZ :NH3+ 154:sc= 1.09 (180deg=1.06) USER MOD Set 4.2: A 374 THR OG1 : rot -172:sc= -1.26! USER MOD Set 4.3: A 375 THR OG1 : rot 64:sc= 0.222 USER MOD Set 4.4: A 440 HIS : no HD1:sc= -1.55 K(o=-1.5,f=-3.6!) USER MOD Set 5.1: A 339 HIS : no HD1:sc= -1.87! C(o=-0.5!,f=-3.6!) USER MOD Set 5.2: A 344 TYR OH : rot 169:sc= 1.36 USER MOD Single : A 340 MET CE :methyl -168:sc= -0.686 (180deg=-1.14) USER MOD Single : A 343 THR OG1 : rot 180:sc= 0 USER MOD Single : A 351 ASN :FLIP amide:sc= 0 F(o=-0.92!,f=0) USER MOD Single : A 352 GLN : amide:sc= -6.76! C(o=-6.8!,f=-11!) USER MOD Single : A 353 HIS : no HE2:sc= -3.46! C(o=-3.5!,f=-3.1!) USER MOD Single : A 354 MET CE :methyl -177:sc= -6.67! (180deg=-6.82!) USER MOD Single : A 356 TYR OH : rot 180:sc= 0 USER MOD Single : A 357 TYR OH : rot 42:sc= 0.00589 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= -2.73! USER MOD Single : A 383 TYR OH : rot 180:sc= 0 USER MOD Single : A 386 ASN :FLIP amide:sc= -0.259 F(o=-1.5,f=-0.26) 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 USER MOD Single : A 397 ASN :FLIP amide:sc= -0.423 F(o=-3.1,f=-0.42) USER MOD Single : A 401 THR OG1 : rot -102:sc= -1.83! USER MOD Single : A 405 SER OG : rot 46:sc= -4.34! USER MOD Single : A 408 ASN :FLIP amide:sc= -0.278 F(o=-1.4!,f=-0.28) USER MOD Single : A 409 TYR OH : rot 150:sc= 0 USER MOD Single : A 416 THR OG1 : rot -94:sc= 1.23 USER MOD Single : A 429 TYR OH : rot 26:sc= -0.611 USER MOD Single : A 435 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 436 THR OG1 : rot -39:sc= 0.481 USER MOD Single : A 445 THR OG1 : rot -159:sc= 1.13 USER MOD Single : A 448 SER OG : rot 180:sc= 0 USER MOD Single : A 451 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 456 MET CE :methyl 178:sc= -4.52! (180deg=-4.81!) 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 -15.574 -12.770 8.161 1.00 3.94 N ATOM 2 CA GLY A 338 -14.603 -11.920 7.435 1.00 3.08 C ATOM 3 C GLY A 338 -14.126 -10.776 8.297 1.00 2.42 C ATOM 4 O GLY A 338 -13.808 -10.974 9.468 1.00 2.77 O ATOM 0 HA2 GLY A 338 -13.751 -12.523 7.122 1.00 3.08 H new ATOM 0 HA3 GLY A 338 -15.065 -11.528 6.529 1.00 3.08 H new ATOM 10 N HIS A 339 -14.083 -9.581 7.733 1.00 1.85 N ATOM 11 CA HIS A 339 -13.701 -8.403 8.496 1.00 1.24 C ATOM 12 C HIS A 339 -14.367 -7.149 7.954 1.00 1.07 C ATOM 13 O HIS A 339 -14.293 -6.871 6.767 1.00 1.60 O ATOM 14 CB HIS A 339 -12.166 -8.223 8.555 1.00 1.08 C ATOM 15 CG HIS A 339 -11.459 -8.317 7.237 1.00 0.56 C ATOM 16 ND1 HIS A 339 -10.216 -8.891 7.088 1.00 0.65 N ATOM 17 CD2 HIS A 339 -11.820 -7.887 6.016 1.00 1.00 C ATOM 18 CE1 HIS A 339 -9.847 -8.802 5.825 1.00 1.30 C ATOM 19 NE2 HIS A 339 -10.807 -8.201 5.150 1.00 1.60 N ATOM 0 H HIS A 339 -14.307 -9.400 6.754 1.00 1.85 H new ATOM 0 HA HIS A 339 -14.054 -8.562 9.515 1.00 1.24 H new ATOM 0 HB2 HIS A 339 -11.947 -7.251 8.997 1.00 1.08 H new ATOM 0 HB3 HIS A 339 -11.754 -8.978 9.224 1.00 1.08 H new ATOM 0 HD2 HIS A 339 -12.742 -7.385 5.764 1.00 1.00 H new ATOM 0 HE1 HIS A 339 -8.915 -9.161 5.413 1.00 1.30 H new ATOM 0 HE2 HIS A 339 -10.797 -8.003 4.149 1.00 1.60 H new ATOM 28 N MET A 340 -15.060 -6.443 8.838 1.00 0.83 N ATOM 29 CA MET A 340 -15.487 -5.064 8.606 1.00 0.69 C ATOM 30 C MET A 340 -16.249 -4.845 7.310 1.00 0.64 C ATOM 31 O MET A 340 -15.700 -4.803 6.209 1.00 0.83 O ATOM 32 CB MET A 340 -14.276 -4.172 8.627 1.00 0.61 C ATOM 33 CG MET A 340 -13.613 -4.181 9.958 1.00 0.72 C ATOM 34 SD MET A 340 -12.315 -2.948 10.111 1.00 1.03 S ATOM 35 CE MET A 340 -11.459 -3.242 8.578 1.00 0.58 C ATOM 0 H MET A 340 -15.345 -6.812 9.745 1.00 0.83 H new ATOM 0 HA MET A 340 -16.187 -4.822 9.406 1.00 0.69 H new ATOM 0 HB2 MET A 340 -13.569 -4.500 7.865 1.00 0.61 H new ATOM 0 HB3 MET A 340 -14.569 -3.153 8.373 1.00 0.61 H new ATOM 0 HG2 MET A 340 -14.362 -4.008 10.731 1.00 0.72 H new ATOM 0 HG3 MET A 340 -13.190 -5.169 10.139 1.00 0.72 H new ATOM 0 HE1 MET A 340 -10.502 -2.720 8.590 1.00 0.58 H new ATOM 0 HE2 MET A 340 -11.287 -4.312 8.456 1.00 0.58 H new ATOM 0 HE3 MET A 340 -12.063 -2.875 7.748 1.00 0.58 H new ATOM 45 N GLU A 341 -17.535 -4.664 7.495 1.00 0.56 N ATOM 46 CA GLU A 341 -18.464 -4.351 6.440 1.00 0.57 C ATOM 47 C GLU A 341 -18.255 -2.922 5.953 1.00 0.46 C ATOM 48 O GLU A 341 -18.952 -2.450 5.053 1.00 0.49 O ATOM 49 CB GLU A 341 -19.868 -4.503 6.982 1.00 0.73 C ATOM 50 CG GLU A 341 -20.121 -3.580 8.154 1.00 0.76 C ATOM 51 CD GLU A 341 -21.500 -3.738 8.753 1.00 0.97 C ATOM 52 OE1 GLU A 341 -22.468 -3.173 8.200 1.00 1.10 O ATOM 53 OE2 GLU A 341 -21.623 -4.426 9.786 1.00 1.08 O1- ATOM 0 H GLU A 341 -17.975 -4.733 8.413 1.00 0.56 H new ATOM 0 HA GLU A 341 -18.305 -5.026 5.599 1.00 0.57 H new ATOM 0 HB2 GLU A 341 -20.588 -4.292 6.191 1.00 0.73 H new ATOM 0 HB3 GLU A 341 -20.028 -5.536 7.291 1.00 0.73 H new ATOM 0 HG2 GLU A 341 -19.374 -3.770 8.925 1.00 0.76 H new ATOM 0 HG3 GLU A 341 -19.989 -2.548 7.830 1.00 0.76 H new ATOM 60 N ASP A 342 -17.335 -2.251 6.609 1.00 0.38 N ATOM 61 CA ASP A 342 -16.902 -0.903 6.271 1.00 0.32 C ATOM 62 C ASP A 342 -16.382 -0.753 4.859 1.00 0.25 C ATOM 63 O ASP A 342 -16.173 -1.713 4.110 1.00 0.27 O ATOM 64 CB ASP A 342 -15.798 -0.418 7.181 1.00 0.34 C ATOM 65 CG ASP A 342 -16.255 -0.185 8.605 1.00 0.62 C ATOM 66 OD1 ASP A 342 -16.802 0.902 8.891 1.00 0.98 O1- ATOM 67 OD2 ASP A 342 -16.080 -1.091 9.446 1.00 0.79 O ATOM 0 H ASP A 342 -16.849 -2.636 7.419 1.00 0.38 H new ATOM 0 HA ASP A 342 -17.810 -0.312 6.387 1.00 0.32 H new ATOM 0 HB2 ASP A 342 -14.989 -1.149 7.181 1.00 0.34 H new ATOM 0 HB3 ASP A 342 -15.389 0.510 6.782 1.00 0.34 H new ATOM 72 N THR A 343 -16.270 0.503 4.500 1.00 0.23 N ATOM 73 CA THR A 343 -15.592 0.923 3.316 1.00 0.19 C ATOM 74 C THR A 343 -14.157 1.288 3.680 1.00 0.13 C ATOM 75 O THR A 343 -13.923 2.126 4.549 1.00 0.16 O ATOM 76 CB THR A 343 -16.289 2.155 2.735 1.00 0.24 C ATOM 77 OG1 THR A 343 -17.699 1.918 2.620 1.00 0.45 O ATOM 78 CG2 THR A 343 -15.724 2.487 1.387 1.00 0.20 C ATOM 0 H THR A 343 -16.660 1.274 5.042 1.00 0.23 H new ATOM 0 HA THR A 343 -15.603 0.120 2.579 1.00 0.19 H new ATOM 0 HB THR A 343 -16.120 2.995 3.408 1.00 0.24 H new ATOM 0 HG1 THR A 343 -18.135 2.713 2.249 1.00 0.45 H new ATOM 0 HG21 THR A 343 -16.230 3.366 0.987 1.00 0.20 H new ATOM 0 HG22 THR A 343 -14.658 2.693 1.480 1.00 0.20 H new ATOM 0 HG23 THR A 343 -15.873 1.644 0.712 1.00 0.20 H new ATOM 86 N TYR A 344 -13.219 0.660 3.005 1.00 0.10 N ATOM 87 CA TYR A 344 -11.809 0.856 3.257 1.00 0.07 C ATOM 88 C TYR A 344 -10.978 0.494 2.050 1.00 0.06 C ATOM 89 O TYR A 344 -11.491 0.272 0.966 1.00 0.08 O ATOM 90 CB TYR A 344 -11.328 -0.008 4.412 1.00 0.08 C ATOM 91 CG TYR A 344 -11.908 -1.399 4.455 1.00 0.12 C ATOM 92 CD1 TYR A 344 -11.299 -2.455 3.794 1.00 0.14 C ATOM 93 CD2 TYR A 344 -13.063 -1.650 5.166 1.00 0.19 C ATOM 94 CE1 TYR A 344 -11.831 -3.727 3.844 1.00 0.20 C ATOM 95 CE2 TYR A 344 -13.602 -2.911 5.225 1.00 0.25 C ATOM 96 CZ TYR A 344 -12.984 -3.951 4.563 1.00 0.25 C ATOM 97 OH TYR A 344 -13.521 -5.213 4.619 1.00 0.32 O ATOM 0 H TYR A 344 -13.416 -0.007 2.259 1.00 0.10 H new ATOM 0 HA TYR A 344 -11.688 1.912 3.497 1.00 0.07 H new ATOM 0 HB2 TYR A 344 -10.242 -0.085 4.360 1.00 0.08 H new ATOM 0 HB3 TYR A 344 -11.567 0.498 5.348 1.00 0.08 H new ATOM 0 HD1 TYR A 344 -10.394 -2.279 3.231 1.00 0.14 H new ATOM 0 HD2 TYR A 344 -13.552 -0.840 5.686 1.00 0.19 H new ATOM 0 HE1 TYR A 344 -11.347 -4.540 3.324 1.00 0.20 H new ATOM 0 HE2 TYR A 344 -14.507 -3.088 5.788 1.00 0.25 H new ATOM 0 HH TYR A 344 -14.225 -5.239 5.300 1.00 0.32 H new ATOM 107 N ILE A 345 -9.676 0.467 2.255 1.00 0.05 N ATOM 108 CA ILE A 345 -8.775 -0.117 1.294 1.00 0.05 C ATOM 109 C ILE A 345 -8.367 -1.491 1.799 1.00 0.05 C ATOM 110 O ILE A 345 -8.544 -1.767 2.974 1.00 0.08 O ATOM 111 CB ILE A 345 -7.516 0.735 1.074 1.00 0.06 C ATOM 112 CG1 ILE A 345 -7.863 2.203 1.025 1.00 0.07 C ATOM 113 CG2 ILE A 345 -6.871 0.326 -0.230 1.00 0.06 C ATOM 114 CD1 ILE A 345 -8.816 2.494 -0.078 1.00 0.07 C ATOM 0 H ILE A 345 -9.221 0.846 3.085 1.00 0.05 H new ATOM 0 HA ILE A 345 -9.293 -0.179 0.337 1.00 0.05 H new ATOM 0 HB ILE A 345 -6.829 0.572 1.904 1.00 0.06 H new ATOM 0 HG12 ILE A 345 -8.299 2.508 1.976 1.00 0.07 H new ATOM 0 HG13 ILE A 345 -6.955 2.790 0.888 1.00 0.07 H new ATOM 0 HG21 ILE A 345 -5.976 0.925 -0.397 1.00 0.06 H new ATOM 0 HG22 ILE A 345 -6.599 -0.729 -0.186 1.00 0.06 H new ATOM 0 HG23 ILE A 345 -7.572 0.486 -1.049 1.00 0.06 H new ATOM 0 HD11 ILE A 345 -9.047 3.559 -0.088 1.00 0.07 H new ATOM 0 HD12 ILE A 345 -8.368 2.211 -1.030 1.00 0.07 H new ATOM 0 HD13 ILE A 345 -9.733 1.925 0.074 1.00 0.07 H new ATOM 126 N GLU A 346 -7.843 -2.355 0.945 1.00 0.05 N ATOM 127 CA GLU A 346 -7.422 -3.677 1.402 1.00 0.05 C ATOM 128 C GLU A 346 -6.163 -4.120 0.720 1.00 0.05 C ATOM 129 O GLU A 346 -5.801 -3.617 -0.322 1.00 0.06 O ATOM 130 CB GLU A 346 -8.514 -4.703 1.155 1.00 0.06 C ATOM 131 CG GLU A 346 -8.725 -5.583 2.330 1.00 0.07 C ATOM 132 CD GLU A 346 -9.588 -6.799 2.043 1.00 0.09 C ATOM 133 OE1 GLU A 346 -9.286 -7.537 1.080 1.00 0.12 O ATOM 134 OE2 GLU A 346 -10.580 -7.019 2.767 1.00 0.17 O1- ATOM 0 H GLU A 346 -7.699 -2.175 -0.049 1.00 0.05 H new ATOM 0 HA GLU A 346 -7.230 -3.601 2.472 1.00 0.05 H new ATOM 0 HB2 GLU A 346 -9.445 -4.190 0.914 1.00 0.06 H new ATOM 0 HB3 GLU A 346 -8.251 -5.311 0.289 1.00 0.06 H new ATOM 0 HG2 GLU A 346 -7.756 -5.917 2.700 1.00 0.07 H new ATOM 0 HG3 GLU A 346 -9.187 -5.002 3.128 1.00 0.07 H new ATOM 141 N VAL A 347 -5.474 -5.015 1.381 1.00 0.05 N ATOM 142 CA VAL A 347 -4.224 -5.555 0.918 1.00 0.05 C ATOM 143 C VAL A 347 -4.039 -6.951 1.443 1.00 0.07 C ATOM 144 O VAL A 347 -4.282 -7.230 2.614 1.00 0.08 O ATOM 145 CB VAL A 347 -3.048 -4.726 1.434 1.00 0.06 C ATOM 146 CG1 VAL A 347 -1.740 -5.422 1.123 1.00 0.06 C ATOM 147 CG2 VAL A 347 -3.057 -3.336 0.857 1.00 0.06 C ATOM 0 H VAL A 347 -5.775 -5.397 2.278 1.00 0.05 H new ATOM 0 HA VAL A 347 -4.249 -5.543 -0.172 1.00 0.05 H new ATOM 0 HB VAL A 347 -3.151 -4.634 2.515 1.00 0.06 H new ATOM 0 HG11 VAL A 347 -0.910 -4.821 1.496 1.00 0.06 H new ATOM 0 HG12 VAL A 347 -1.725 -6.400 1.604 1.00 0.06 H new ATOM 0 HG13 VAL A 347 -1.642 -5.547 0.045 1.00 0.06 H new ATOM 0 HG21 VAL A 347 -2.207 -2.775 1.246 1.00 0.06 H new ATOM 0 HG22 VAL A 347 -2.988 -3.393 -0.229 1.00 0.06 H new ATOM 0 HG23 VAL A 347 -3.982 -2.832 1.136 1.00 0.06 H new ATOM 157 N ASP A 348 -3.583 -7.801 0.574 1.00 0.08 N ATOM 158 CA ASP A 348 -3.205 -9.135 0.943 1.00 0.11 C ATOM 159 C ASP A 348 -1.736 -9.299 0.663 1.00 0.15 C ATOM 160 O ASP A 348 -1.301 -9.183 -0.480 1.00 0.24 O ATOM 161 CB ASP A 348 -4.046 -10.132 0.170 1.00 0.14 C ATOM 162 CG ASP A 348 -3.810 -11.579 0.556 1.00 0.18 C ATOM 163 OD1 ASP A 348 -2.648 -11.992 0.693 1.00 0.33 O ATOM 164 OD2 ASP A 348 -4.802 -12.320 0.713 1.00 0.37 O1- ATOM 0 H ASP A 348 -3.461 -7.590 -0.416 1.00 0.08 H new ATOM 0 HA ASP A 348 -3.381 -9.317 2.003 1.00 0.11 H new ATOM 0 HB2 ASP A 348 -5.099 -9.895 0.321 1.00 0.14 H new ATOM 0 HB3 ASP A 348 -3.842 -10.014 -0.894 1.00 0.14 H new ATOM 169 N LEU A 349 -0.974 -9.500 1.706 1.00 0.13 N ATOM 170 CA LEU A 349 0.461 -9.608 1.587 1.00 0.14 C ATOM 171 C LEU A 349 0.838 -10.868 0.849 1.00 0.20 C ATOM 172 O LEU A 349 1.596 -10.862 -0.116 1.00 0.32 O ATOM 173 CB LEU A 349 1.087 -9.588 2.983 1.00 0.16 C ATOM 174 CG LEU A 349 0.903 -8.305 3.780 1.00 0.14 C ATOM 175 CD1 LEU A 349 0.992 -7.101 2.894 1.00 0.14 C ATOM 176 CD2 LEU A 349 -0.409 -8.303 4.506 1.00 0.12 C ATOM 0 H LEU A 349 -1.326 -9.593 2.659 1.00 0.13 H new ATOM 0 HA LEU A 349 0.840 -8.761 1.015 1.00 0.14 H new ATOM 0 HB2 LEU A 349 0.668 -10.413 3.559 1.00 0.16 H new ATOM 0 HB3 LEU A 349 2.155 -9.780 2.883 1.00 0.16 H new ATOM 0 HG LEU A 349 1.709 -8.261 4.513 1.00 0.14 H new ATOM 0 HD11 LEU A 349 0.857 -6.199 3.491 1.00 0.14 H new ATOM 0 HD12 LEU A 349 1.970 -7.075 2.413 1.00 0.14 H new ATOM 0 HD13 LEU A 349 0.214 -7.152 2.132 1.00 0.14 H new ATOM 0 HD21 LEU A 349 -0.513 -7.374 5.067 1.00 0.12 H new ATOM 0 HD22 LEU A 349 -1.223 -8.385 3.786 1.00 0.12 H new ATOM 0 HD23 LEU A 349 -0.446 -9.148 5.193 1.00 0.12 H new ATOM 188 N GLU A 350 0.235 -11.936 1.324 1.00 0.20 N ATOM 189 CA GLU A 350 0.431 -13.277 0.809 1.00 0.24 C ATOM 190 C GLU A 350 0.214 -13.352 -0.684 1.00 0.22 C ATOM 191 O GLU A 350 1.047 -13.851 -1.427 1.00 0.31 O ATOM 192 CB GLU A 350 -0.557 -14.186 1.478 1.00 0.31 C ATOM 193 CG GLU A 350 -0.098 -14.727 2.804 1.00 0.41 C ATOM 194 CD GLU A 350 0.652 -16.035 2.670 1.00 0.84 C ATOM 195 OE1 GLU A 350 1.884 -16.005 2.461 1.00 0.96 O1- ATOM 196 OE2 GLU A 350 0.011 -17.104 2.762 1.00 1.51 O ATOM 0 H GLU A 350 -0.424 -11.896 2.101 1.00 0.20 H new ATOM 0 HA GLU A 350 1.460 -13.573 1.014 1.00 0.24 H new ATOM 0 HB2 GLU A 350 -1.492 -13.644 1.623 1.00 0.31 H new ATOM 0 HB3 GLU A 350 -0.773 -15.022 0.813 1.00 0.31 H new ATOM 0 HG2 GLU A 350 0.544 -13.992 3.290 1.00 0.41 H new ATOM 0 HG3 GLU A 350 -0.962 -14.873 3.452 1.00 0.41 H new ATOM 203 N ASN A 351 -0.959 -12.906 -1.095 1.00 0.18 N ATOM 204 CA ASN A 351 -1.403 -13.067 -2.462 1.00 0.19 C ATOM 205 C ASN A 351 -1.096 -11.821 -3.253 1.00 0.21 C ATOM 206 O ASN A 351 -1.474 -11.680 -4.417 1.00 0.35 O ATOM 207 CB ASN A 351 -2.905 -13.374 -2.517 1.00 0.27 C ATOM 208 CG ASN A 351 -3.264 -14.686 -1.849 1.00 0.48 C ATOM 209 OD1 ASN A 351 -3.614 -14.625 -0.576 1.00 0.91 O flip ATOM 210 ND2 ASN A 351 -3.246 -15.746 -2.476 1.00 0.39 N flip ATOM 0 H ASN A 351 -1.626 -12.425 -0.492 1.00 0.18 H new ATOM 0 HA ASN A 351 -0.868 -13.909 -2.901 1.00 0.19 H new ATOM 0 HB2 ASN A 351 -3.454 -12.565 -2.035 1.00 0.27 H new ATOM 0 HB3 ASN A 351 -3.227 -13.402 -3.558 1.00 0.27 H new ATOM 0 HD21 ASN A 351 -2.970 -15.753 -3.458 1.00 0.39 H new ATOM 0 HD22 ASN A 351 -3.507 -16.617 -2.013 1.00 0.39 H new ATOM 217 N GLN A 352 -0.418 -10.911 -2.534 1.00 0.12 N ATOM 218 CA GLN A 352 0.074 -9.645 -3.063 1.00 0.11 C ATOM 219 C GLN A 352 -0.982 -8.913 -3.866 1.00 0.11 C ATOM 220 O GLN A 352 -0.820 -8.681 -5.057 1.00 0.18 O ATOM 221 CB GLN A 352 1.297 -9.874 -3.922 1.00 0.18 C ATOM 222 CG GLN A 352 2.499 -10.452 -3.182 1.00 0.30 C ATOM 223 CD GLN A 352 3.363 -9.402 -2.527 1.00 1.41 C ATOM 224 OE1 GLN A 352 4.354 -8.955 -3.100 1.00 2.22 O ATOM 225 NE2 GLN A 352 3.008 -9.011 -1.317 1.00 1.92 N ATOM 0 H GLN A 352 -0.196 -11.046 -1.548 1.00 0.12 H new ATOM 0 HA GLN A 352 0.336 -9.021 -2.209 1.00 0.11 H new ATOM 0 HB2 GLN A 352 1.031 -10.548 -4.736 1.00 0.18 H new ATOM 0 HB3 GLN A 352 1.588 -8.926 -4.375 1.00 0.18 H new ATOM 0 HG2 GLN A 352 2.147 -11.148 -2.421 1.00 0.30 H new ATOM 0 HG3 GLN A 352 3.106 -11.026 -3.883 1.00 0.30 H new ATOM 0 HE21 GLN A 352 2.178 -9.407 -0.876 1.00 1.92 H new ATOM 0 HE22 GLN A 352 3.564 -8.313 -0.823 1.00 1.92 H new ATOM 234 N HIS A 353 -2.022 -8.486 -3.196 1.00 0.07 N ATOM 235 CA HIS A 353 -3.147 -7.860 -3.878 1.00 0.07 C ATOM 236 C HIS A 353 -3.788 -6.818 -2.972 1.00 0.06 C ATOM 237 O HIS A 353 -4.140 -7.095 -1.841 1.00 0.07 O ATOM 238 CB HIS A 353 -4.177 -8.920 -4.253 1.00 0.08 C ATOM 239 CG HIS A 353 -5.028 -8.544 -5.430 1.00 0.09 C ATOM 240 ND1 HIS A 353 -4.723 -8.872 -6.733 1.00 0.11 N ATOM 241 CD2 HIS A 353 -6.185 -7.859 -5.488 1.00 0.12 C ATOM 242 CE1 HIS A 353 -5.666 -8.397 -7.532 1.00 0.13 C ATOM 243 NE2 HIS A 353 -6.566 -7.781 -6.801 1.00 0.13 N ATOM 0 H HIS A 353 -2.122 -8.556 -2.183 1.00 0.07 H new ATOM 0 HA HIS A 353 -2.787 -7.372 -4.784 1.00 0.07 H new ATOM 0 HB2 HIS A 353 -3.660 -9.854 -4.473 1.00 0.08 H new ATOM 0 HB3 HIS A 353 -4.822 -9.107 -3.394 1.00 0.08 H new ATOM 0 HD1 HIS A 353 -3.902 -9.397 -7.034 1.00 0.11 H new ATOM 0 HD2 HIS A 353 -6.719 -7.444 -4.646 1.00 0.12 H new ATOM 0 HE1 HIS A 353 -5.691 -8.499 -8.607 1.00 0.13 H new ATOM 252 N MET A 354 -3.892 -5.620 -3.478 1.00 0.05 N ATOM 253 CA MET A 354 -4.457 -4.502 -2.769 1.00 0.05 C ATOM 254 C MET A 354 -5.766 -4.077 -3.410 1.00 0.04 C ATOM 255 O MET A 354 -5.844 -3.851 -4.613 1.00 0.05 O ATOM 256 CB MET A 354 -3.443 -3.378 -2.802 1.00 0.05 C ATOM 257 CG MET A 354 -3.910 -2.148 -2.083 1.00 0.06 C ATOM 258 SD MET A 354 -3.578 -0.649 -2.986 1.00 0.06 S ATOM 259 CE MET A 354 -4.659 -0.991 -4.335 1.00 0.06 C ATOM 0 H MET A 354 -3.578 -5.387 -4.420 1.00 0.05 H new ATOM 0 HA MET A 354 -4.678 -4.773 -1.736 1.00 0.05 H new ATOM 0 HB2 MET A 354 -2.511 -3.723 -2.353 1.00 0.05 H new ATOM 0 HB3 MET A 354 -3.223 -3.125 -3.839 1.00 0.05 H new ATOM 0 HG2 MET A 354 -4.982 -2.226 -1.899 1.00 0.06 H new ATOM 0 HG3 MET A 354 -3.423 -2.095 -1.109 1.00 0.06 H new ATOM 0 HE1 MET A 354 -4.580 -0.195 -5.076 1.00 0.06 H new ATOM 0 HE2 MET A 354 -4.382 -1.941 -4.792 1.00 0.06 H new ATOM 0 HE3 MET A 354 -5.686 -1.049 -3.973 1.00 0.06 H new ATOM 269 N TRP A 355 -6.785 -3.995 -2.576 1.00 0.05 N ATOM 270 CA TRP A 355 -8.140 -3.702 -3.002 1.00 0.05 C ATOM 271 C TRP A 355 -8.617 -2.376 -2.490 1.00 0.05 C ATOM 272 O TRP A 355 -7.970 -1.757 -1.675 1.00 0.05 O ATOM 273 CB TRP A 355 -9.125 -4.726 -2.485 1.00 0.06 C ATOM 274 CG TRP A 355 -8.980 -6.076 -3.057 1.00 0.07 C ATOM 275 CD1 TRP A 355 -9.572 -6.536 -4.179 1.00 0.08 C ATOM 276 CD2 TRP A 355 -8.222 -7.147 -2.518 1.00 0.08 C ATOM 277 NE1 TRP A 355 -9.216 -7.834 -4.399 1.00 0.09 N ATOM 278 CE2 TRP A 355 -8.384 -8.243 -3.377 1.00 0.08 C ATOM 279 CE3 TRP A 355 -7.413 -7.281 -1.393 1.00 0.08 C ATOM 280 CZ2 TRP A 355 -7.760 -9.466 -3.136 1.00 0.10 C ATOM 281 CZ3 TRP A 355 -6.801 -8.482 -1.155 1.00 0.09 C ATOM 282 CH2 TRP A 355 -6.974 -9.566 -2.022 1.00 0.10 C ATOM 0 H TRP A 355 -6.693 -4.132 -1.569 1.00 0.05 H new ATOM 0 HA TRP A 355 -8.101 -3.708 -4.091 1.00 0.05 H new ATOM 0 HB2 TRP A 355 -9.020 -4.794 -1.402 1.00 0.06 H new ATOM 0 HB3 TRP A 355 -10.135 -4.370 -2.686 1.00 0.06 H new ATOM 0 HD1 TRP A 355 -10.232 -5.960 -4.811 1.00 0.08 H new ATOM 0 HE1 TRP A 355 -9.515 -8.407 -5.188 1.00 0.09 H new ATOM 0 HE3 TRP A 355 -7.270 -6.450 -0.718 1.00 0.08 H new ATOM 0 HZ2 TRP A 355 -7.893 -10.304 -3.805 1.00 0.10 H new ATOM 0 HZ3 TRP A 355 -6.174 -8.595 -0.283 1.00 0.09 H new ATOM 0 HH2 TRP A 355 -6.477 -10.500 -1.807 1.00 0.10 H new ATOM 293 N TYR A 356 -9.785 -1.988 -2.942 1.00 0.06 N ATOM 294 CA TYR A 356 -10.519 -0.903 -2.335 1.00 0.06 C ATOM 295 C TYR A 356 -11.879 -1.433 -2.022 1.00 0.06 C ATOM 296 O TYR A 356 -12.595 -1.844 -2.900 1.00 0.07 O ATOM 297 CB TYR A 356 -10.595 0.299 -3.248 1.00 0.06 C ATOM 298 CG TYR A 356 -11.420 1.456 -2.666 1.00 0.08 C ATOM 299 CD1 TYR A 356 -12.784 1.334 -2.436 1.00 0.18 C ATOM 300 CD2 TYR A 356 -10.843 2.676 -2.384 1.00 0.07 C ATOM 301 CE1 TYR A 356 -13.535 2.384 -1.946 1.00 0.22 C ATOM 302 CE2 TYR A 356 -11.590 3.729 -1.902 1.00 0.09 C ATOM 303 CZ TYR A 356 -12.932 3.579 -1.686 1.00 0.13 C ATOM 304 OH TYR A 356 -13.677 4.633 -1.205 1.00 0.20 O ATOM 0 H TYR A 356 -10.254 -2.415 -3.741 1.00 0.06 H new ATOM 0 HA TYR A 356 -10.017 -0.558 -1.431 1.00 0.06 H new ATOM 0 HB2 TYR A 356 -9.585 0.652 -3.457 1.00 0.06 H new ATOM 0 HB3 TYR A 356 -11.030 -0.004 -4.200 1.00 0.06 H new ATOM 0 HD1 TYR A 356 -13.270 0.393 -2.646 1.00 0.18 H new ATOM 0 HD2 TYR A 356 -9.783 2.809 -2.544 1.00 0.07 H new ATOM 0 HE1 TYR A 356 -14.593 2.260 -1.770 1.00 0.22 H new ATOM 0 HE2 TYR A 356 -11.114 4.676 -1.694 1.00 0.09 H new ATOM 0 HH TYR A 356 -13.096 5.411 -1.072 1.00 0.20 H new ATOM 314 N TYR A 357 -12.208 -1.492 -0.770 1.00 0.09 N ATOM 315 CA TYR A 357 -13.485 -2.014 -0.391 1.00 0.11 C ATOM 316 C TYR A 357 -14.467 -0.930 -0.082 1.00 0.12 C ATOM 317 O TYR A 357 -14.224 -0.050 0.723 1.00 0.14 O ATOM 318 CB TYR A 357 -13.403 -2.965 0.793 1.00 0.12 C ATOM 319 CG TYR A 357 -12.992 -4.351 0.414 1.00 0.12 C ATOM 320 CD1 TYR A 357 -11.694 -4.632 0.010 1.00 0.12 C ATOM 321 CD2 TYR A 357 -13.902 -5.380 0.473 1.00 0.14 C ATOM 322 CE1 TYR A 357 -11.325 -5.916 -0.332 1.00 0.14 C ATOM 323 CE2 TYR A 357 -13.546 -6.658 0.140 1.00 0.16 C ATOM 324 CZ TYR A 357 -12.206 -6.901 -0.308 1.00 0.14 C ATOM 325 OH TYR A 357 -11.908 -8.214 -0.601 1.00 0.18 O ATOM 0 H TYR A 357 -11.616 -1.188 0.003 1.00 0.09 H new ATOM 0 HA TYR A 357 -13.834 -2.574 -1.259 1.00 0.11 H new ATOM 0 HB2 TYR A 357 -12.693 -2.569 1.519 1.00 0.12 H new ATOM 0 HB3 TYR A 357 -14.374 -3.004 1.286 1.00 0.12 H new ATOM 0 HD1 TYR A 357 -10.965 -3.836 -0.037 1.00 0.12 H new ATOM 0 HD2 TYR A 357 -14.915 -5.176 0.788 1.00 0.14 H new ATOM 0 HE1 TYR A 357 -10.305 -6.119 -0.623 1.00 0.14 H new ATOM 0 HE2 TYR A 357 -14.259 -7.466 0.213 1.00 0.16 H new ATOM 0 HH TYR A 357 -11.050 -8.453 -0.193 1.00 0.18 H new ATOM 335 N LYS A 358 -15.584 -1.044 -0.722 1.00 0.12 N ATOM 336 CA LYS A 358 -16.695 -0.220 -0.517 1.00 0.14 C ATOM 337 C LYS A 358 -17.930 -1.021 -0.755 1.00 0.17 C ATOM 338 O LYS A 358 -18.006 -1.830 -1.681 1.00 0.19 O ATOM 339 CB LYS A 358 -16.652 0.954 -1.413 1.00 0.18 C ATOM 340 CG LYS A 358 -17.940 1.599 -1.489 1.00 0.24 C ATOM 341 CD LYS A 358 -17.723 3.045 -1.456 1.00 0.28 C ATOM 342 CE LYS A 358 -17.379 3.528 -2.817 1.00 0.42 C ATOM 343 NZ LYS A 358 -17.738 4.952 -3.034 1.00 0.47 N1+ ATOM 0 H LYS A 358 -15.739 -1.756 -1.436 1.00 0.12 H new ATOM 0 HA LYS A 358 -16.690 0.152 0.507 1.00 0.14 H new ATOM 0 HB2 LYS A 358 -15.908 1.664 -1.052 1.00 0.18 H new ATOM 0 HB3 LYS A 358 -16.339 0.643 -2.410 1.00 0.18 H new ATOM 0 HG2 LYS A 358 -18.457 1.312 -2.405 1.00 0.24 H new ATOM 0 HG3 LYS A 358 -18.571 1.289 -0.656 1.00 0.24 H new ATOM 0 HD2 LYS A 358 -18.620 3.549 -1.096 1.00 0.28 H new ATOM 0 HD3 LYS A 358 -16.920 3.287 -0.760 1.00 0.28 H new ATOM 0 HE2 LYS A 358 -16.309 3.399 -2.983 1.00 0.42 H new ATOM 0 HE3 LYS A 358 -17.893 2.913 -3.556 1.00 0.42 H new ATOM 0 HZ1 LYS A 358 -17.475 5.233 -4.000 1.00 0.47 H new ATOM 0 HZ2 LYS A 358 -18.763 5.075 -2.904 1.00 0.47 H new ATOM 0 HZ3 LYS A 358 -17.229 5.547 -2.350 1.00 0.47 H new ATOM 357 N ASP A 359 -18.875 -0.799 0.131 1.00 0.23 N ATOM 358 CA ASP A 359 -20.162 -1.435 0.080 1.00 0.30 C ATOM 359 C ASP A 359 -19.993 -2.882 0.420 1.00 0.27 C ATOM 360 O ASP A 359 -20.890 -3.708 0.246 1.00 0.33 O ATOM 361 CB ASP A 359 -20.778 -1.241 -1.289 1.00 0.34 C ATOM 362 CG ASP A 359 -22.197 -0.715 -1.222 1.00 0.44 C ATOM 363 OD1 ASP A 359 -22.376 0.507 -1.040 1.00 0.49 O1- ATOM 364 OD2 ASP A 359 -23.142 -1.519 -1.348 1.00 0.60 O ATOM 0 H ASP A 359 -18.764 -0.160 0.918 1.00 0.23 H new ATOM 0 HA ASP A 359 -20.842 -0.987 0.805 1.00 0.30 H new ATOM 0 HB2 ASP A 359 -20.164 -0.547 -1.864 1.00 0.34 H new ATOM 0 HB3 ASP A 359 -20.772 -2.191 -1.824 1.00 0.34 H new ATOM 369 N GLY A 360 -18.811 -3.146 0.962 1.00 0.22 N ATOM 370 CA GLY A 360 -18.450 -4.461 1.387 1.00 0.21 C ATOM 371 C GLY A 360 -17.930 -5.301 0.254 1.00 0.19 C ATOM 372 O GLY A 360 -17.801 -6.521 0.349 1.00 0.23 O ATOM 0 H GLY A 360 -18.087 -2.444 1.112 1.00 0.22 H new ATOM 0 HA2 GLY A 360 -17.690 -4.394 2.166 1.00 0.21 H new ATOM 0 HA3 GLY A 360 -19.318 -4.949 1.830 1.00 0.21 H new ATOM 376 N LYS A 361 -17.610 -4.601 -0.791 1.00 0.16 N ATOM 377 CA LYS A 361 -17.271 -5.135 -2.071 1.00 0.17 C ATOM 378 C LYS A 361 -16.072 -4.350 -2.550 1.00 0.13 C ATOM 379 O LYS A 361 -15.727 -3.356 -1.924 1.00 0.15 O ATOM 380 CB LYS A 361 -18.512 -4.920 -2.929 1.00 0.22 C ATOM 381 CG LYS A 361 -18.288 -4.603 -4.375 1.00 0.32 C ATOM 382 CD LYS A 361 -18.520 -5.788 -5.271 1.00 0.55 C ATOM 383 CE LYS A 361 -17.817 -6.996 -4.751 1.00 0.52 C ATOM 384 NZ LYS A 361 -17.868 -8.138 -5.701 1.00 0.68 N1+ ATOM 0 H LYS A 361 -17.577 -3.582 -0.770 1.00 0.16 H new ATOM 0 HA LYS A 361 -17.007 -6.192 -2.088 1.00 0.17 H new ATOM 0 HB2 LYS A 361 -19.126 -5.819 -2.870 1.00 0.22 H new ATOM 0 HB3 LYS A 361 -19.092 -4.109 -2.490 1.00 0.22 H new ATOM 0 HG2 LYS A 361 -18.953 -3.792 -4.672 1.00 0.32 H new ATOM 0 HG3 LYS A 361 -17.268 -4.244 -4.510 1.00 0.32 H new ATOM 0 HD2 LYS A 361 -19.589 -5.989 -5.345 1.00 0.55 H new ATOM 0 HD3 LYS A 361 -18.167 -5.562 -6.277 1.00 0.55 H new ATOM 0 HE2 LYS A 361 -16.776 -6.746 -4.544 1.00 0.52 H new ATOM 0 HE3 LYS A 361 -18.267 -7.295 -3.804 1.00 0.52 H new ATOM 0 HZ1 LYS A 361 -17.366 -8.952 -5.293 1.00 0.68 H new ATOM 0 HZ2 LYS A 361 -18.859 -8.397 -5.880 1.00 0.68 H new ATOM 0 HZ3 LYS A 361 -17.415 -7.865 -6.596 1.00 0.68 H new ATOM 398 N VAL A 362 -15.409 -4.742 -3.611 1.00 0.10 N ATOM 399 CA VAL A 362 -14.270 -3.957 -3.997 1.00 0.09 C ATOM 400 C VAL A 362 -14.576 -3.058 -5.130 1.00 0.09 C ATOM 401 O VAL A 362 -15.278 -3.371 -6.092 1.00 0.11 O ATOM 402 CB VAL A 362 -12.965 -4.702 -4.284 1.00 0.18 C ATOM 403 CG1 VAL A 362 -12.679 -5.737 -3.243 1.00 0.53 C ATOM 404 CG2 VAL A 362 -12.919 -5.276 -5.664 1.00 0.52 C ATOM 0 H VAL A 362 -15.623 -5.553 -4.192 1.00 0.10 H new ATOM 0 HA VAL A 362 -14.075 -3.391 -3.086 1.00 0.09 H new ATOM 0 HB VAL A 362 -12.169 -3.959 -4.235 1.00 0.18 H new ATOM 0 HG11 VAL A 362 -11.744 -6.244 -3.482 1.00 0.53 H new ATOM 0 HG12 VAL A 362 -12.593 -5.258 -2.268 1.00 0.53 H new ATOM 0 HG13 VAL A 362 -13.491 -6.464 -3.220 1.00 0.53 H new ATOM 0 HG21 VAL A 362 -11.971 -5.793 -5.812 1.00 0.52 H new ATOM 0 HG22 VAL A 362 -13.740 -5.981 -5.792 1.00 0.52 H new ATOM 0 HG23 VAL A 362 -13.012 -4.473 -6.395 1.00 0.52 H new ATOM 414 N ALA A 363 -14.042 -1.919 -4.922 1.00 0.09 N ATOM 415 CA ALA A 363 -14.064 -0.846 -5.819 1.00 0.10 C ATOM 416 C ALA A 363 -12.835 -0.902 -6.661 1.00 0.10 C ATOM 417 O ALA A 363 -12.786 -0.396 -7.781 1.00 0.12 O ATOM 418 CB ALA A 363 -14.037 0.389 -4.991 1.00 0.11 C ATOM 0 H ALA A 363 -13.544 -1.702 -4.059 1.00 0.09 H new ATOM 0 HA ALA A 363 -14.941 -0.872 -6.466 1.00 0.10 H new ATOM 0 HB1 ALA A 363 -14.053 1.264 -5.641 1.00 0.11 H new ATOM 0 HB2 ALA A 363 -14.909 0.408 -4.337 1.00 0.11 H new ATOM 0 HB3 ALA A 363 -13.130 0.402 -4.387 1.00 0.11 H new ATOM 424 N LEU A 364 -11.828 -1.532 -6.089 1.00 0.08 N ATOM 425 CA LEU A 364 -10.544 -1.549 -6.690 1.00 0.07 C ATOM 426 C LEU A 364 -9.809 -2.793 -6.260 1.00 0.06 C ATOM 427 O LEU A 364 -10.108 -3.369 -5.216 1.00 0.08 O ATOM 428 CB LEU A 364 -9.755 -0.305 -6.326 1.00 0.06 C ATOM 429 CG LEU A 364 -8.775 0.073 -7.407 1.00 0.07 C ATOM 430 CD1 LEU A 364 -9.433 0.883 -8.489 1.00 0.07 C ATOM 431 CD2 LEU A 364 -7.589 0.817 -6.888 1.00 0.06 C ATOM 0 H LEU A 364 -11.893 -2.036 -5.205 1.00 0.08 H new ATOM 0 HA LEU A 364 -10.660 -1.557 -7.774 1.00 0.07 H new ATOM 0 HB2 LEU A 364 -10.442 0.523 -6.153 1.00 0.06 H new ATOM 0 HB3 LEU A 364 -9.219 -0.475 -5.392 1.00 0.06 H new ATOM 0 HG LEU A 364 -8.422 -0.871 -7.821 1.00 0.07 H new ATOM 0 HD11 LEU A 364 -8.697 1.138 -9.251 1.00 0.07 H new ATOM 0 HD12 LEU A 364 -10.237 0.302 -8.941 1.00 0.07 H new ATOM 0 HD13 LEU A 364 -9.843 1.798 -8.061 1.00 0.07 H new ATOM 0 HD21 LEU A 364 -6.922 1.060 -7.715 1.00 0.06 H new ATOM 0 HD22 LEU A 364 -7.919 1.737 -6.406 1.00 0.06 H new ATOM 0 HD23 LEU A 364 -7.059 0.198 -6.164 1.00 0.06 H new ATOM 443 N GLU A 365 -8.873 -3.206 -7.079 1.00 0.07 N ATOM 444 CA GLU A 365 -8.130 -4.442 -6.872 1.00 0.07 C ATOM 445 C GLU A 365 -6.922 -4.445 -7.748 1.00 0.07 C ATOM 446 O GLU A 365 -7.030 -4.296 -8.962 1.00 0.09 O ATOM 447 CB GLU A 365 -8.929 -5.689 -7.222 1.00 0.09 C ATOM 448 CG GLU A 365 -10.310 -5.405 -7.771 1.00 0.22 C ATOM 449 CD GLU A 365 -10.759 -6.424 -8.790 1.00 0.26 C ATOM 450 OE1 GLU A 365 -11.294 -7.478 -8.386 1.00 0.61 O ATOM 451 OE2 GLU A 365 -10.580 -6.177 -10.002 1.00 0.60 O1- ATOM 0 H GLU A 365 -8.597 -2.695 -7.918 1.00 0.07 H new ATOM 0 HA GLU A 365 -7.881 -4.472 -5.811 1.00 0.07 H new ATOM 0 HB2 GLU A 365 -8.371 -6.271 -7.956 1.00 0.09 H new ATOM 0 HB3 GLU A 365 -9.025 -6.308 -6.330 1.00 0.09 H new ATOM 0 HG2 GLU A 365 -11.025 -5.382 -6.948 1.00 0.22 H new ATOM 0 HG3 GLU A 365 -10.317 -4.415 -8.227 1.00 0.22 H new ATOM 458 N THR A 366 -5.777 -4.587 -7.151 1.00 0.06 N ATOM 459 CA THR A 366 -4.593 -4.748 -7.916 1.00 0.06 C ATOM 460 C THR A 366 -3.583 -5.608 -7.215 1.00 0.06 C ATOM 461 O THR A 366 -3.675 -5.893 -6.032 1.00 0.07 O ATOM 462 CB THR A 366 -4.012 -3.388 -8.266 1.00 0.07 C ATOM 463 OG1 THR A 366 -2.794 -3.527 -8.978 1.00 0.09 O ATOM 464 CG2 THR A 366 -3.802 -2.594 -7.011 1.00 0.07 C ATOM 0 H THR A 366 -5.645 -4.594 -6.140 1.00 0.06 H new ATOM 0 HA THR A 366 -4.856 -5.265 -8.839 1.00 0.06 H new ATOM 0 HB THR A 366 -4.715 -2.860 -8.910 1.00 0.07 H new ATOM 0 HG1 THR A 366 -2.977 -3.880 -9.874 1.00 0.09 H new ATOM 0 HG21 THR A 366 -3.385 -1.619 -7.263 1.00 0.07 H new ATOM 0 HG22 THR A 366 -4.756 -2.460 -6.501 1.00 0.07 H new ATOM 0 HG23 THR A 366 -3.112 -3.125 -6.356 1.00 0.07 H new ATOM 472 N ASP A 367 -2.640 -6.007 -7.993 1.00 0.07 N ATOM 473 CA ASP A 367 -1.519 -6.766 -7.581 1.00 0.10 C ATOM 474 C ASP A 367 -0.495 -5.815 -7.040 1.00 0.10 C ATOM 475 O ASP A 367 -0.363 -4.693 -7.526 1.00 0.11 O ATOM 476 CB ASP A 367 -0.999 -7.522 -8.793 1.00 0.15 C ATOM 477 CG ASP A 367 -0.978 -6.701 -10.081 1.00 1.14 C ATOM 478 OD1 ASP A 367 -2.034 -6.188 -10.493 1.00 1.88 O ATOM 479 OD2 ASP A 367 0.111 -6.538 -10.672 1.00 1.54 O1- ATOM 0 H ASP A 367 -2.633 -5.799 -8.991 1.00 0.07 H new ATOM 0 HA ASP A 367 -1.769 -7.487 -6.803 1.00 0.10 H new ATOM 0 HB2 ASP A 367 0.011 -7.873 -8.582 1.00 0.15 H new ATOM 0 HB3 ASP A 367 -1.617 -8.406 -8.949 1.00 0.15 H new ATOM 484 N ILE A 368 0.153 -6.234 -5.980 1.00 0.09 N ATOM 485 CA ILE A 368 1.114 -5.400 -5.292 1.00 0.09 C ATOM 486 C ILE A 368 2.303 -6.193 -4.797 1.00 0.09 C ATOM 487 O ILE A 368 2.453 -7.370 -5.102 1.00 0.11 O ATOM 488 CB ILE A 368 0.483 -4.703 -4.092 1.00 0.08 C ATOM 489 CG1 ILE A 368 -0.201 -5.742 -3.222 1.00 0.08 C ATOM 490 CG2 ILE A 368 -0.476 -3.614 -4.539 1.00 0.08 C ATOM 491 CD1 ILE A 368 0.580 -6.085 -1.980 1.00 0.11 C ATOM 0 H ILE A 368 0.031 -7.160 -5.569 1.00 0.09 H new ATOM 0 HA ILE A 368 1.448 -4.664 -6.023 1.00 0.09 H new ATOM 0 HB ILE A 368 1.257 -4.211 -3.503 1.00 0.08 H new ATOM 0 HG12 ILE A 368 -1.186 -5.374 -2.934 1.00 0.08 H new ATOM 0 HG13 ILE A 368 -0.358 -6.649 -3.806 1.00 0.08 H new ATOM 0 HG21 ILE A 368 -0.913 -3.132 -3.664 1.00 0.08 H new ATOM 0 HG22 ILE A 368 0.064 -2.874 -5.129 1.00 0.08 H new ATOM 0 HG23 ILE A 368 -1.269 -4.053 -5.145 1.00 0.08 H new ATOM 0 HD11 ILE A 368 0.036 -6.833 -1.403 1.00 0.11 H new ATOM 0 HD12 ILE A 368 1.555 -6.483 -2.262 1.00 0.11 H new ATOM 0 HD13 ILE A 368 0.715 -5.188 -1.376 1.00 0.11 H new ATOM 503 N VAL A 369 3.126 -5.528 -4.009 1.00 0.09 N ATOM 504 CA VAL A 369 4.278 -6.144 -3.381 1.00 0.09 C ATOM 505 C VAL A 369 4.684 -5.328 -2.160 1.00 0.09 C ATOM 506 O VAL A 369 5.021 -4.150 -2.256 1.00 0.11 O ATOM 507 CB VAL A 369 5.460 -6.362 -4.365 1.00 0.10 C ATOM 508 CG1 VAL A 369 5.390 -5.440 -5.556 1.00 0.10 C ATOM 509 CG2 VAL A 369 6.794 -6.210 -3.671 1.00 0.12 C ATOM 0 H VAL A 369 3.013 -4.539 -3.786 1.00 0.09 H new ATOM 0 HA VAL A 369 3.994 -7.145 -3.057 1.00 0.09 H new ATOM 0 HB VAL A 369 5.370 -7.386 -4.729 1.00 0.10 H new ATOM 0 HG11 VAL A 369 6.238 -5.631 -6.214 1.00 0.10 H new ATOM 0 HG12 VAL A 369 4.462 -5.617 -6.099 1.00 0.10 H new ATOM 0 HG13 VAL A 369 5.420 -4.405 -5.217 1.00 0.10 H new ATOM 0 HG21 VAL A 369 7.598 -6.369 -4.389 1.00 0.12 H new ATOM 0 HG22 VAL A 369 6.874 -5.207 -3.253 1.00 0.12 H new ATOM 0 HG23 VAL A 369 6.873 -6.944 -2.870 1.00 0.12 H new ATOM 519 N SER A 370 4.593 -5.959 -1.005 1.00 0.09 N ATOM 520 CA SER A 370 4.644 -5.250 0.257 1.00 0.10 C ATOM 521 C SER A 370 5.430 -5.996 1.323 1.00 0.10 C ATOM 522 O SER A 370 5.367 -7.219 1.393 1.00 0.10 O ATOM 523 CB SER A 370 3.229 -5.056 0.743 1.00 0.12 C ATOM 524 OG SER A 370 3.206 -4.681 2.097 1.00 0.70 O ATOM 0 H SER A 370 4.483 -6.969 -0.916 1.00 0.09 H new ATOM 0 HA SER A 370 5.152 -4.301 0.087 1.00 0.10 H new ATOM 0 HB2 SER A 370 2.737 -4.291 0.142 1.00 0.12 H new ATOM 0 HB3 SER A 370 2.665 -5.979 0.608 1.00 0.12 H new ATOM 0 HG SER A 370 3.892 -4.000 2.259 1.00 0.70 H new ATOM 530 N GLY A 371 6.117 -5.259 2.171 1.00 0.09 N ATOM 531 CA GLY A 371 6.581 -5.834 3.412 1.00 0.10 C ATOM 532 C GLY A 371 7.669 -6.892 3.297 1.00 0.11 C ATOM 533 O GLY A 371 7.519 -7.953 3.896 1.00 0.13 O ATOM 0 H GLY A 371 6.362 -4.279 2.027 1.00 0.09 H new ATOM 0 HA2 GLY A 371 6.952 -5.028 4.045 1.00 0.10 H new ATOM 0 HA3 GLY A 371 5.727 -6.275 3.926 1.00 0.10 H new ATOM 537 N LYS A 372 8.717 -6.640 2.503 1.00 0.11 N ATOM 538 CA LYS A 372 9.757 -7.611 2.241 1.00 0.14 C ATOM 539 C LYS A 372 10.203 -8.257 3.530 1.00 0.16 C ATOM 540 O LYS A 372 10.219 -7.604 4.565 1.00 0.19 O ATOM 541 CB LYS A 372 10.917 -6.933 1.541 1.00 0.17 C ATOM 542 CG LYS A 372 11.575 -5.840 2.328 1.00 0.22 C ATOM 543 CD LYS A 372 12.982 -6.210 2.578 1.00 0.30 C ATOM 544 CE LYS A 372 13.940 -5.313 1.832 1.00 0.47 C ATOM 545 NZ LYS A 372 15.359 -5.713 2.017 1.00 0.48 N1+ ATOM 0 H LYS A 372 8.857 -5.749 2.027 1.00 0.11 H new ATOM 0 HA LYS A 372 9.369 -8.395 1.591 1.00 0.14 H new ATOM 0 HB2 LYS A 372 11.666 -7.686 1.296 1.00 0.17 H new ATOM 0 HB3 LYS A 372 10.562 -6.519 0.598 1.00 0.17 H new ATOM 0 HG2 LYS A 372 11.525 -4.899 1.781 1.00 0.22 H new ATOM 0 HG3 LYS A 372 11.052 -5.688 3.272 1.00 0.22 H new ATOM 0 HD2 LYS A 372 13.188 -6.153 3.647 1.00 0.30 H new ATOM 0 HD3 LYS A 372 13.144 -7.245 2.277 1.00 0.30 H new ATOM 0 HE2 LYS A 372 13.697 -5.331 0.770 1.00 0.47 H new ATOM 0 HE3 LYS A 372 13.809 -4.285 2.171 1.00 0.47 H new ATOM 0 HZ1 LYS A 372 15.918 -5.397 1.199 1.00 0.48 H new ATOM 0 HZ2 LYS A 372 15.733 -5.275 2.883 1.00 0.48 H new ATOM 0 HZ3 LYS A 372 15.420 -6.748 2.099 1.00 0.48 H new ATOM 559 N PRO A 373 10.552 -9.524 3.471 1.00 0.18 N ATOM 560 CA PRO A 373 10.884 -10.366 4.627 1.00 0.20 C ATOM 561 C PRO A 373 11.601 -9.657 5.793 1.00 0.20 C ATOM 562 O PRO A 373 11.370 -9.970 6.961 1.00 0.22 O ATOM 563 CB PRO A 373 11.771 -11.382 3.955 1.00 0.23 C ATOM 564 CG PRO A 373 11.019 -11.649 2.715 1.00 0.22 C ATOM 565 CD PRO A 373 10.671 -10.282 2.224 1.00 0.19 C ATOM 0 HA PRO A 373 10.000 -10.750 5.136 1.00 0.20 H new ATOM 0 HB2 PRO A 373 12.768 -10.989 3.754 1.00 0.23 H new ATOM 0 HB3 PRO A 373 11.898 -12.280 4.560 1.00 0.23 H new ATOM 0 HG2 PRO A 373 11.621 -12.196 1.989 1.00 0.22 H new ATOM 0 HG3 PRO A 373 10.128 -12.247 2.906 1.00 0.22 H new ATOM 0 HD2 PRO A 373 11.444 -9.875 1.573 1.00 0.19 H new ATOM 0 HD3 PRO A 373 9.741 -10.279 1.656 1.00 0.19 H new ATOM 573 N THR A 374 12.439 -8.680 5.487 1.00 0.20 N ATOM 574 CA THR A 374 13.219 -8.004 6.505 1.00 0.23 C ATOM 575 C THR A 374 12.380 -6.953 7.218 1.00 0.20 C ATOM 576 O THR A 374 12.540 -6.712 8.414 1.00 0.23 O ATOM 577 CB THR A 374 14.437 -7.325 5.875 1.00 0.28 C ATOM 578 OG1 THR A 374 14.094 -6.010 5.415 1.00 0.28 O ATOM 579 CG2 THR A 374 14.930 -8.141 4.702 1.00 0.30 C ATOM 0 H THR A 374 12.595 -8.338 4.539 1.00 0.20 H new ATOM 0 HA THR A 374 13.547 -8.751 7.227 1.00 0.23 H new ATOM 0 HB THR A 374 15.219 -7.251 6.631 1.00 0.28 H new ATOM 0 HG1 THR A 374 14.840 -5.639 4.898 1.00 0.28 H new ATOM 0 HG21 THR A 374 15.797 -7.652 4.258 1.00 0.30 H new ATOM 0 HG22 THR A 374 15.210 -9.137 5.044 1.00 0.30 H new ATOM 0 HG23 THR A 374 14.138 -8.223 3.957 1.00 0.30 H new ATOM 587 N THR A 375 11.484 -6.330 6.468 1.00 0.18 N ATOM 588 CA THR A 375 10.626 -5.298 7.007 1.00 0.18 C ATOM 589 C THR A 375 9.223 -5.440 6.440 1.00 0.14 C ATOM 590 O THR A 375 8.787 -4.685 5.571 1.00 0.13 O ATOM 591 CB THR A 375 11.170 -3.889 6.741 1.00 0.23 C ATOM 592 OG1 THR A 375 12.583 -3.848 6.989 1.00 0.30 O ATOM 593 CG2 THR A 375 10.468 -2.889 7.638 1.00 0.27 C ATOM 0 H THR A 375 11.335 -6.526 5.478 1.00 0.18 H new ATOM 0 HA THR A 375 10.597 -5.430 8.089 1.00 0.18 H new ATOM 0 HB THR A 375 10.985 -3.633 5.698 1.00 0.23 H new ATOM 0 HG1 THR A 375 13.043 -4.439 6.357 1.00 0.30 H new ATOM 0 HG21 THR A 375 10.859 -1.890 7.445 1.00 0.27 H new ATOM 0 HG22 THR A 375 9.397 -2.906 7.434 1.00 0.27 H new ATOM 0 HG23 THR A 375 10.643 -3.151 8.682 1.00 0.27 H new ATOM 601 N PRO A 376 8.542 -6.462 6.926 1.00 0.13 N ATOM 602 CA PRO A 376 7.195 -6.851 6.515 1.00 0.11 C ATOM 603 C PRO A 376 6.119 -5.883 6.945 1.00 0.11 C ATOM 604 O PRO A 376 6.299 -5.060 7.844 1.00 0.15 O ATOM 605 CB PRO A 376 6.987 -8.176 7.233 1.00 0.14 C ATOM 606 CG PRO A 376 8.339 -8.616 7.583 1.00 0.16 C ATOM 607 CD PRO A 376 9.067 -7.375 7.916 1.00 0.15 C ATOM 0 HA PRO A 376 7.119 -6.889 5.428 1.00 0.11 H new ATOM 0 HB2 PRO A 376 6.366 -8.054 8.121 1.00 0.14 H new ATOM 0 HB3 PRO A 376 6.486 -8.901 6.592 1.00 0.14 H new ATOM 0 HG2 PRO A 376 8.324 -9.304 8.428 1.00 0.16 H new ATOM 0 HG3 PRO A 376 8.811 -9.141 6.753 1.00 0.16 H new ATOM 0 HD2 PRO A 376 8.863 -7.040 8.933 1.00 0.15 H new ATOM 0 HD3 PRO A 376 10.147 -7.497 7.831 1.00 0.15 H new ATOM 615 N THR A 377 4.993 -6.013 6.271 1.00 0.08 N ATOM 616 CA THR A 377 3.802 -5.265 6.569 1.00 0.08 C ATOM 617 C THR A 377 3.159 -5.780 7.855 1.00 0.08 C ATOM 618 O THR A 377 3.304 -6.946 8.225 1.00 0.11 O ATOM 619 CB THR A 377 2.805 -5.402 5.409 1.00 0.09 C ATOM 620 OG1 THR A 377 3.415 -6.155 4.350 1.00 0.12 O ATOM 621 CG2 THR A 377 2.365 -4.057 4.874 1.00 0.11 C ATOM 0 H THR A 377 4.885 -6.656 5.487 1.00 0.08 H new ATOM 0 HA THR A 377 4.070 -4.217 6.703 1.00 0.08 H new ATOM 0 HB THR A 377 1.921 -5.914 5.788 1.00 0.09 H new ATOM 0 HG1 THR A 377 3.356 -5.649 3.513 1.00 0.12 H new ATOM 0 HG21 THR A 377 1.661 -4.204 4.055 1.00 0.11 H new ATOM 0 HG22 THR A 377 1.883 -3.489 5.670 1.00 0.11 H new ATOM 0 HG23 THR A 377 3.234 -3.508 4.511 1.00 0.11 H new ATOM 629 N PRO A 378 2.420 -4.894 8.513 1.00 0.07 N ATOM 630 CA PRO A 378 1.845 -5.102 9.837 1.00 0.07 C ATOM 631 C PRO A 378 0.567 -5.924 9.822 1.00 0.07 C ATOM 632 O PRO A 378 0.436 -6.880 10.587 1.00 0.09 O ATOM 633 CB PRO A 378 1.519 -3.685 10.306 1.00 0.08 C ATOM 634 CG PRO A 378 1.838 -2.767 9.178 1.00 0.09 C ATOM 635 CD PRO A 378 2.070 -3.599 7.979 1.00 0.08 C ATOM 0 HA PRO A 378 2.535 -5.655 10.475 1.00 0.07 H new ATOM 0 HB2 PRO A 378 0.468 -3.603 10.584 1.00 0.08 H new ATOM 0 HB3 PRO A 378 2.103 -3.428 11.189 1.00 0.08 H new ATOM 0 HG2 PRO A 378 1.018 -2.070 9.008 1.00 0.09 H new ATOM 0 HG3 PRO A 378 2.721 -2.171 9.407 1.00 0.09 H new ATOM 0 HD2 PRO A 378 1.180 -3.653 7.353 1.00 0.08 H new ATOM 0 HD3 PRO A 378 2.870 -3.193 7.361 1.00 0.08 H new ATOM 643 N ALA A 379 -0.373 -5.529 8.960 1.00 0.06 N ATOM 644 CA ALA A 379 -1.682 -6.153 8.870 1.00 0.07 C ATOM 645 C ALA A 379 -2.548 -5.915 10.097 1.00 0.07 C ATOM 646 O ALA A 379 -2.173 -6.222 11.231 1.00 0.09 O ATOM 647 CB ALA A 379 -1.538 -7.611 8.537 1.00 0.08 C ATOM 0 H ALA A 379 -0.240 -4.761 8.303 1.00 0.06 H new ATOM 0 HA ALA A 379 -2.220 -5.669 8.055 1.00 0.07 H new ATOM 0 HB1 ALA A 379 -2.525 -8.069 8.472 1.00 0.08 H new ATOM 0 HB2 ALA A 379 -1.025 -7.717 7.581 1.00 0.08 H new ATOM 0 HB3 ALA A 379 -0.959 -8.107 9.316 1.00 0.08 H new ATOM 653 N GLY A 380 -3.717 -5.345 9.837 1.00 0.08 N ATOM 654 CA GLY A 380 -4.642 -5.000 10.885 1.00 0.10 C ATOM 655 C GLY A 380 -5.710 -4.064 10.391 1.00 0.10 C ATOM 656 O GLY A 380 -6.395 -4.358 9.411 1.00 0.11 O ATOM 0 H GLY A 380 -4.041 -5.114 8.898 1.00 0.08 H new ATOM 0 HA2 GLY A 380 -5.104 -5.906 11.277 1.00 0.10 H new ATOM 0 HA3 GLY A 380 -4.102 -4.535 11.710 1.00 0.10 H new ATOM 660 N VAL A 381 -5.828 -2.931 11.051 1.00 0.11 N ATOM 661 CA VAL A 381 -6.799 -1.935 10.696 1.00 0.12 C ATOM 662 C VAL A 381 -6.120 -0.581 10.550 1.00 0.12 C ATOM 663 O VAL A 381 -5.734 0.073 11.520 1.00 0.21 O ATOM 664 CB VAL A 381 -7.942 -1.898 11.720 1.00 0.16 C ATOM 665 CG1 VAL A 381 -7.454 -1.561 13.123 1.00 0.89 C ATOM 666 CG2 VAL A 381 -9.050 -0.951 11.276 1.00 0.87 C ATOM 0 H VAL A 381 -5.247 -2.680 11.851 1.00 0.11 H new ATOM 0 HA VAL A 381 -7.243 -2.194 9.735 1.00 0.12 H new ATOM 0 HB VAL A 381 -8.357 -2.905 11.766 1.00 0.16 H new ATOM 0 HG11 VAL A 381 -8.301 -1.547 13.809 1.00 0.89 H new ATOM 0 HG12 VAL A 381 -6.735 -2.313 13.449 1.00 0.89 H new ATOM 0 HG13 VAL A 381 -6.976 -0.581 13.117 1.00 0.89 H new ATOM 0 HG21 VAL A 381 -9.845 -0.946 12.022 1.00 0.87 H new ATOM 0 HG22 VAL A 381 -8.647 0.056 11.169 1.00 0.87 H new ATOM 0 HG23 VAL A 381 -9.452 -1.284 10.319 1.00 0.87 H new ATOM 676 N PHE A 382 -5.953 -0.189 9.316 1.00 0.10 N ATOM 677 CA PHE A 382 -5.156 0.953 8.970 1.00 0.10 C ATOM 678 C PHE A 382 -6.050 2.095 8.525 1.00 0.09 C ATOM 679 O PHE A 382 -7.204 1.868 8.185 1.00 0.11 O ATOM 680 CB PHE A 382 -4.270 0.522 7.821 1.00 0.16 C ATOM 681 CG PHE A 382 -3.363 -0.609 8.166 1.00 0.11 C ATOM 682 CD1 PHE A 382 -2.201 -0.370 8.876 1.00 0.14 C ATOM 683 CD2 PHE A 382 -3.658 -1.901 7.778 1.00 0.08 C ATOM 684 CE1 PHE A 382 -1.355 -1.394 9.197 1.00 0.15 C ATOM 685 CE2 PHE A 382 -2.810 -2.934 8.099 1.00 0.08 C ATOM 686 CZ PHE A 382 -1.714 -2.728 8.798 1.00 0.10 C ATOM 0 H PHE A 382 -6.372 -0.660 8.514 1.00 0.10 H new ATOM 0 HA PHE A 382 -4.569 1.297 9.822 1.00 0.10 H new ATOM 0 HB2 PHE A 382 -4.897 0.231 6.978 1.00 0.16 H new ATOM 0 HB3 PHE A 382 -3.671 1.372 7.495 1.00 0.16 H new ATOM 0 HD1 PHE A 382 -1.959 0.638 9.180 1.00 0.14 H new ATOM 0 HD2 PHE A 382 -4.560 -2.101 7.219 1.00 0.08 H new ATOM 0 HE1 PHE A 382 -0.439 -1.206 9.737 1.00 0.15 H new ATOM 0 HE2 PHE A 382 -3.048 -3.935 7.771 1.00 0.08 H new ATOM 0 HZ PHE A 382 -1.084 -3.561 9.072 1.00 0.10 H new ATOM 696 N TYR A 383 -5.528 3.312 8.536 1.00 0.08 N ATOM 697 CA TYR A 383 -6.272 4.463 8.030 1.00 0.09 C ATOM 698 C TYR A 383 -5.342 5.467 7.416 1.00 0.09 C ATOM 699 O TYR A 383 -4.310 5.785 8.001 1.00 0.11 O ATOM 700 CB TYR A 383 -7.068 5.195 9.109 1.00 0.12 C ATOM 701 CG TYR A 383 -8.067 4.353 9.874 1.00 0.25 C ATOM 702 CD1 TYR A 383 -9.264 3.953 9.298 1.00 0.39 C ATOM 703 CD2 TYR A 383 -7.813 3.968 11.185 1.00 0.53 C ATOM 704 CE1 TYR A 383 -10.175 3.196 10.003 1.00 0.51 C ATOM 705 CE2 TYR A 383 -8.722 3.206 11.895 1.00 0.64 C ATOM 706 CZ TYR A 383 -9.902 2.823 11.298 1.00 0.54 C ATOM 707 OH TYR A 383 -10.815 2.068 11.998 1.00 0.69 O ATOM 0 H TYR A 383 -4.596 3.531 8.888 1.00 0.08 H new ATOM 0 HA TYR A 383 -6.965 4.052 7.296 1.00 0.09 H new ATOM 0 HB2 TYR A 383 -6.366 5.629 9.821 1.00 0.12 H new ATOM 0 HB3 TYR A 383 -7.601 6.023 8.642 1.00 0.12 H new ATOM 0 HD1 TYR A 383 -9.486 4.239 8.281 1.00 0.39 H new ATOM 0 HD2 TYR A 383 -6.890 4.269 11.657 1.00 0.53 H new ATOM 0 HE1 TYR A 383 -11.103 2.896 9.538 1.00 0.51 H new ATOM 0 HE2 TYR A 383 -8.508 2.913 12.912 1.00 0.64 H new ATOM 0 HH TYR A 383 -10.470 1.889 12.898 1.00 0.69 H new ATOM 717 N VAL A 384 -5.722 6.008 6.276 1.00 0.09 N ATOM 718 CA VAL A 384 -4.922 7.038 5.668 1.00 0.10 C ATOM 719 C VAL A 384 -5.064 8.336 6.442 1.00 0.11 C ATOM 720 O VAL A 384 -6.164 8.866 6.612 1.00 0.13 O ATOM 721 CB VAL A 384 -5.245 7.245 4.166 1.00 0.11 C ATOM 722 CG1 VAL A 384 -6.688 6.928 3.869 1.00 0.12 C ATOM 723 CG2 VAL A 384 -4.932 8.661 3.733 1.00 0.14 C ATOM 0 H VAL A 384 -6.566 5.754 5.763 1.00 0.09 H new ATOM 0 HA VAL A 384 -3.884 6.708 5.712 1.00 0.10 H new ATOM 0 HB VAL A 384 -4.615 6.558 3.602 1.00 0.11 H new ATOM 0 HG11 VAL A 384 -6.884 7.083 2.808 1.00 0.12 H new ATOM 0 HG12 VAL A 384 -6.893 5.889 4.128 1.00 0.12 H new ATOM 0 HG13 VAL A 384 -7.333 7.582 4.456 1.00 0.12 H new ATOM 0 HG21 VAL A 384 -5.168 8.779 2.675 1.00 0.14 H new ATOM 0 HG22 VAL A 384 -5.529 9.361 4.318 1.00 0.14 H new ATOM 0 HG23 VAL A 384 -3.873 8.865 3.893 1.00 0.14 H new ATOM 733 N TRP A 385 -3.946 8.822 6.940 1.00 0.12 N ATOM 734 CA TRP A 385 -3.949 10.026 7.736 1.00 0.14 C ATOM 735 C TRP A 385 -3.385 11.200 6.977 1.00 0.16 C ATOM 736 O TRP A 385 -3.260 12.305 7.505 1.00 0.19 O ATOM 737 CB TRP A 385 -3.178 9.839 9.018 1.00 0.16 C ATOM 738 CG TRP A 385 -1.836 9.229 8.814 1.00 0.15 C ATOM 739 CD1 TRP A 385 -1.558 7.907 8.710 1.00 0.14 C ATOM 740 CD2 TRP A 385 -0.595 9.918 8.694 1.00 0.15 C ATOM 741 NE1 TRP A 385 -0.205 7.725 8.543 1.00 0.14 N ATOM 742 CE2 TRP A 385 0.407 8.949 8.533 1.00 0.15 C ATOM 743 CE3 TRP A 385 -0.239 11.260 8.710 1.00 0.17 C ATOM 744 CZ2 TRP A 385 1.750 9.286 8.391 1.00 0.15 C ATOM 745 CZ3 TRP A 385 1.083 11.597 8.569 1.00 0.18 C ATOM 746 CH2 TRP A 385 2.070 10.615 8.413 1.00 0.17 C ATOM 0 H TRP A 385 -3.027 8.401 6.807 1.00 0.12 H new ATOM 0 HA TRP A 385 -4.991 10.237 7.976 1.00 0.14 H new ATOM 0 HB2 TRP A 385 -3.059 10.806 9.507 1.00 0.16 H new ATOM 0 HB3 TRP A 385 -3.757 9.209 9.693 1.00 0.16 H new ATOM 0 HD1 TRP A 385 -2.290 7.114 8.752 1.00 0.14 H new ATOM 0 HE1 TRP A 385 0.265 6.825 8.443 1.00 0.14 H new ATOM 0 HE3 TRP A 385 -0.991 12.026 8.831 1.00 0.17 H new ATOM 0 HZ2 TRP A 385 2.509 8.528 8.268 1.00 0.15 H new ATOM 0 HZ3 TRP A 385 1.368 12.639 8.578 1.00 0.18 H new ATOM 0 HH2 TRP A 385 3.103 10.913 8.308 1.00 0.17 H new ATOM 757 N ASN A 386 -3.065 10.957 5.730 1.00 0.16 N ATOM 758 CA ASN A 386 -2.606 12.007 4.850 1.00 0.21 C ATOM 759 C ASN A 386 -2.666 11.562 3.405 1.00 0.20 C ATOM 760 O ASN A 386 -2.541 10.386 3.096 1.00 0.18 O ATOM 761 CB ASN A 386 -1.194 12.456 5.198 1.00 0.24 C ATOM 762 CG ASN A 386 -0.836 13.723 4.473 1.00 0.32 C ATOM 763 OD1 ASN A 386 -0.259 13.569 3.302 1.00 0.41 O flip ATOM 764 ND2 ASN A 386 -1.079 14.826 4.957 1.00 0.31 N flip ATOM 0 H ASN A 386 -3.114 10.034 5.298 1.00 0.16 H new ATOM 0 HA ASN A 386 -3.274 12.857 4.987 1.00 0.21 H new ATOM 0 HB2 ASN A 386 -1.114 12.613 6.274 1.00 0.24 H new ATOM 0 HB3 ASN A 386 -0.484 11.671 4.937 1.00 0.24 H new ATOM 0 HD21 ASN A 386 -1.529 14.894 5.870 1.00 0.31 H new ATOM 0 HD22 ASN A 386 -0.831 15.673 4.446 1.00 0.31 H new ATOM 771 N LYS A 387 -2.900 12.509 2.534 1.00 0.22 N ATOM 772 CA LYS A 387 -2.774 12.290 1.118 1.00 0.22 C ATOM 773 C LYS A 387 -1.547 12.986 0.601 1.00 0.19 C ATOM 774 O LYS A 387 -1.464 14.212 0.577 1.00 0.24 O ATOM 775 CB LYS A 387 -3.976 12.813 0.392 1.00 0.32 C ATOM 776 CG LYS A 387 -5.151 11.905 0.400 1.00 1.09 C ATOM 777 CD LYS A 387 -6.385 12.759 0.356 1.00 0.96 C ATOM 778 CE LYS A 387 -6.324 13.739 -0.787 1.00 0.57 C ATOM 779 NZ LYS A 387 -7.616 13.863 -1.509 1.00 0.67 N1+ ATOM 0 H LYS A 387 -3.184 13.455 2.788 1.00 0.22 H new ATOM 0 HA LYS A 387 -2.693 11.217 0.945 1.00 0.22 H new ATOM 0 HB2 LYS A 387 -4.267 13.765 0.837 1.00 0.32 H new ATOM 0 HB3 LYS A 387 -3.699 13.016 -0.642 1.00 0.32 H new ATOM 0 HG2 LYS A 387 -5.121 11.232 -0.457 1.00 1.09 H new ATOM 0 HG3 LYS A 387 -5.148 11.283 1.295 1.00 1.09 H new ATOM 0 HD2 LYS A 387 -7.266 12.126 0.250 1.00 0.96 H new ATOM 0 HD3 LYS A 387 -6.492 13.299 1.297 1.00 0.96 H new ATOM 0 HE2 LYS A 387 -6.031 14.717 -0.406 1.00 0.57 H new ATOM 0 HE3 LYS A 387 -5.550 13.425 -1.488 1.00 0.57 H new ATOM 0 HZ1 LYS A 387 -7.516 14.549 -2.284 1.00 0.67 H new ATOM 0 HZ2 LYS A 387 -7.886 12.937 -1.899 1.00 0.67 H new ATOM 0 HZ3 LYS A 387 -8.352 14.189 -0.850 1.00 0.67 H new ATOM 793 N GLU A 388 -0.597 12.202 0.215 1.00 0.18 N ATOM 794 CA GLU A 388 0.627 12.703 -0.319 1.00 0.18 C ATOM 795 C GLU A 388 0.749 12.375 -1.771 1.00 0.23 C ATOM 796 O GLU A 388 0.646 11.251 -2.195 1.00 0.38 O ATOM 797 CB GLU A 388 1.781 12.151 0.473 1.00 0.16 C ATOM 798 CG GLU A 388 2.474 13.236 1.243 1.00 0.16 C ATOM 799 CD GLU A 388 3.583 12.735 2.143 1.00 0.20 C ATOM 800 OE1 GLU A 388 3.279 12.187 3.222 1.00 0.32 O1- ATOM 801 OE2 GLU A 388 4.765 12.864 1.764 1.00 0.32 O ATOM 0 H GLU A 388 -0.648 11.184 0.261 1.00 0.18 H new ATOM 0 HA GLU A 388 0.638 13.790 -0.236 1.00 0.18 H new ATOM 0 HB2 GLU A 388 1.421 11.385 1.160 1.00 0.16 H new ATOM 0 HB3 GLU A 388 2.490 11.668 -0.199 1.00 0.16 H new ATOM 0 HG2 GLU A 388 2.888 13.959 0.540 1.00 0.16 H new ATOM 0 HG3 GLU A 388 1.738 13.765 1.849 1.00 0.16 H new ATOM 808 N GLU A 389 0.911 13.400 -2.528 1.00 0.17 N ATOM 809 CA GLU A 389 1.079 13.286 -3.928 1.00 0.19 C ATOM 810 C GLU A 389 2.415 13.825 -4.308 1.00 0.21 C ATOM 811 O GLU A 389 2.922 14.787 -3.730 1.00 0.26 O ATOM 812 CB GLU A 389 0.002 14.055 -4.627 1.00 0.21 C ATOM 813 CG GLU A 389 -1.358 13.457 -4.482 1.00 0.30 C ATOM 814 CD GLU A 389 -2.380 14.137 -5.367 1.00 1.06 C ATOM 815 OE1 GLU A 389 -2.408 13.847 -6.579 1.00 1.96 O1- ATOM 816 OE2 GLU A 389 -3.142 14.987 -4.860 1.00 1.18 O ATOM 0 H GLU A 389 0.931 14.360 -2.183 1.00 0.17 H new ATOM 0 HA GLU A 389 1.015 12.238 -4.221 1.00 0.19 H new ATOM 0 HB2 GLU A 389 -0.016 15.073 -4.237 1.00 0.21 H new ATOM 0 HB3 GLU A 389 0.247 14.124 -5.687 1.00 0.21 H new ATOM 0 HG2 GLU A 389 -1.315 12.396 -4.729 1.00 0.30 H new ATOM 0 HG3 GLU A 389 -1.676 13.529 -3.442 1.00 0.30 H new ATOM 823 N ASP A 390 2.953 13.154 -5.311 1.00 0.20 N ATOM 824 CA ASP A 390 4.282 13.416 -5.839 1.00 0.19 C ATOM 825 C ASP A 390 5.275 13.349 -4.700 1.00 0.21 C ATOM 826 O ASP A 390 6.372 13.897 -4.751 1.00 0.40 O ATOM 827 CB ASP A 390 4.319 14.764 -6.537 1.00 0.24 C ATOM 828 CG ASP A 390 5.638 15.036 -7.231 1.00 0.26 C ATOM 829 OD1 ASP A 390 5.935 14.356 -8.240 1.00 0.38 O1- ATOM 830 OD2 ASP A 390 6.387 15.924 -6.772 1.00 0.36 O ATOM 0 H ASP A 390 2.469 12.396 -5.792 1.00 0.20 H new ATOM 0 HA ASP A 390 4.546 12.664 -6.583 1.00 0.19 H new ATOM 0 HB2 ASP A 390 3.513 14.810 -7.270 1.00 0.24 H new ATOM 0 HB3 ASP A 390 4.130 15.550 -5.806 1.00 0.24 H new ATOM 835 N ALA A 391 4.871 12.587 -3.708 1.00 0.15 N ATOM 836 CA ALA A 391 5.505 12.549 -2.427 1.00 0.16 C ATOM 837 C ALA A 391 6.694 11.636 -2.414 1.00 0.15 C ATOM 838 O ALA A 391 6.948 10.876 -3.345 1.00 0.16 O ATOM 839 CB ALA A 391 4.489 12.103 -1.394 1.00 0.16 C ATOM 0 H ALA A 391 4.068 11.962 -3.782 1.00 0.15 H new ATOM 0 HA ALA A 391 5.870 13.549 -2.192 1.00 0.16 H new ATOM 0 HB1 ALA A 391 4.960 12.070 -0.411 1.00 0.16 H new ATOM 0 HB2 ALA A 391 3.657 12.807 -1.374 1.00 0.16 H new ATOM 0 HB3 ALA A 391 4.119 11.111 -1.653 1.00 0.16 H new ATOM 845 N THR A 392 7.407 11.731 -1.337 1.00 0.16 N ATOM 846 CA THR A 392 8.621 10.999 -1.165 1.00 0.17 C ATOM 847 C THR A 392 8.586 10.238 0.130 1.00 0.16 C ATOM 848 O THR A 392 8.748 10.784 1.223 1.00 0.18 O ATOM 849 CB THR A 392 9.850 11.903 -1.191 1.00 0.20 C ATOM 850 OG1 THR A 392 10.033 12.456 -2.505 1.00 0.27 O ATOM 851 CG2 THR A 392 11.083 11.110 -0.766 1.00 0.22 C ATOM 0 H THR A 392 7.160 12.324 -0.545 1.00 0.16 H new ATOM 0 HA THR A 392 8.700 10.307 -2.003 1.00 0.17 H new ATOM 0 HB THR A 392 9.703 12.726 -0.491 1.00 0.20 H new ATOM 0 HG1 THR A 392 10.823 13.035 -2.509 1.00 0.27 H new ATOM 0 HG21 THR A 392 11.958 11.760 -0.786 1.00 0.22 H new ATOM 0 HG22 THR A 392 10.939 10.727 0.244 1.00 0.22 H new ATOM 0 HG23 THR A 392 11.234 10.277 -1.452 1.00 0.22 H new ATOM 859 N LEU A 393 8.334 8.982 -0.029 1.00 0.15 N ATOM 860 CA LEU A 393 8.332 8.039 1.031 1.00 0.16 C ATOM 861 C LEU A 393 9.714 7.758 1.477 1.00 0.17 C ATOM 862 O LEU A 393 10.663 8.011 0.754 1.00 0.18 O ATOM 863 CB LEU A 393 7.682 6.792 0.537 1.00 0.16 C ATOM 864 CG LEU A 393 6.181 6.857 0.465 1.00 0.19 C ATOM 865 CD1 LEU A 393 5.732 7.923 -0.511 1.00 0.16 C ATOM 866 CD2 LEU A 393 5.641 5.532 0.034 1.00 0.24 C ATOM 0 H LEU A 393 8.116 8.572 -0.937 1.00 0.15 H new ATOM 0 HA LEU A 393 7.783 8.437 1.885 1.00 0.16 H new ATOM 0 HB2 LEU A 393 8.071 6.563 -0.455 1.00 0.16 H new ATOM 0 HB3 LEU A 393 7.966 5.966 1.189 1.00 0.16 H new ATOM 0 HG LEU A 393 5.801 7.109 1.455 1.00 0.19 H new ATOM 0 HD11 LEU A 393 4.643 7.950 -0.545 1.00 0.16 H new ATOM 0 HD12 LEU A 393 6.109 8.894 -0.189 1.00 0.16 H new ATOM 0 HD13 LEU A 393 6.120 7.694 -1.504 1.00 0.16 H new ATOM 0 HD21 LEU A 393 4.553 5.582 -0.017 1.00 0.24 H new ATOM 0 HD22 LEU A 393 6.040 5.279 -0.948 1.00 0.24 H new ATOM 0 HD23 LEU A 393 5.936 4.768 0.753 1.00 0.24 H new ATOM 878 N LYS A 394 9.822 7.278 2.675 1.00 0.20 N ATOM 879 CA LYS A 394 11.059 6.989 3.254 1.00 0.24 C ATOM 880 C LYS A 394 10.905 5.798 4.137 1.00 0.30 C ATOM 881 O LYS A 394 9.819 5.224 4.215 1.00 0.38 O ATOM 882 CB LYS A 394 11.556 8.183 3.994 1.00 0.29 C ATOM 883 CG LYS A 394 12.332 9.031 3.080 1.00 0.29 C ATOM 884 CD LYS A 394 11.827 10.425 3.010 1.00 0.61 C ATOM 885 CE LYS A 394 12.313 11.223 4.185 1.00 0.52 C ATOM 886 NZ LYS A 394 11.846 12.633 4.140 1.00 0.67 N1+ ATOM 0 H LYS A 394 9.023 7.078 3.277 1.00 0.20 H new ATOM 0 HA LYS A 394 11.801 6.752 2.491 1.00 0.24 H new ATOM 0 HB2 LYS A 394 10.718 8.745 4.406 1.00 0.29 H new ATOM 0 HB3 LYS A 394 12.176 7.872 4.835 1.00 0.29 H new ATOM 0 HG2 LYS A 394 13.373 9.044 3.402 1.00 0.29 H new ATOM 0 HG3 LYS A 394 12.312 8.593 2.082 1.00 0.29 H new ATOM 0 HD2 LYS A 394 12.161 10.892 2.083 1.00 0.61 H new ATOM 0 HD3 LYS A 394 10.737 10.422 2.991 1.00 0.61 H new ATOM 0 HE2 LYS A 394 11.966 10.757 5.107 1.00 0.52 H new ATOM 0 HE3 LYS A 394 13.403 11.204 4.209 1.00 0.52 H new ATOM 0 HZ1 LYS A 394 12.206 13.145 4.971 1.00 0.67 H new ATOM 0 HZ2 LYS A 394 12.198 13.088 3.274 1.00 0.67 H new ATOM 0 HZ3 LYS A 394 10.806 12.655 4.144 1.00 0.67 H new ATOM 900 N GLY A 395 11.945 5.417 4.810 1.00 0.32 N ATOM 901 CA GLY A 395 11.799 4.255 5.634 1.00 0.39 C ATOM 902 C GLY A 395 13.009 3.877 6.421 1.00 0.44 C ATOM 903 O GLY A 395 13.807 4.720 6.823 1.00 0.81 O ATOM 0 H GLY A 395 12.861 5.865 4.811 1.00 0.32 H new ATOM 0 HA2 GLY A 395 10.973 4.421 6.326 1.00 0.39 H new ATOM 0 HA3 GLY A 395 11.520 3.413 5.001 1.00 0.39 H new ATOM 907 N THR A 396 13.108 2.585 6.643 1.00 0.58 N ATOM 908 CA THR A 396 14.239 1.985 7.268 1.00 0.57 C ATOM 909 C THR A 396 14.581 0.699 6.585 1.00 0.60 C ATOM 910 O THR A 396 13.772 -0.218 6.445 1.00 0.71 O ATOM 911 CB THR A 396 14.042 1.768 8.755 1.00 0.67 C ATOM 912 OG1 THR A 396 12.651 1.581 9.063 1.00 0.79 O ATOM 913 CG2 THR A 396 14.613 2.965 9.471 1.00 0.68 C ATOM 0 H THR A 396 12.382 1.918 6.384 1.00 0.58 H new ATOM 0 HA THR A 396 15.071 2.681 7.165 1.00 0.57 H new ATOM 0 HB THR A 396 14.556 0.864 9.082 1.00 0.67 H new ATOM 0 HG1 THR A 396 12.545 1.441 10.027 1.00 0.79 H new ATOM 0 HG21 THR A 396 14.487 2.840 10.546 1.00 0.68 H new ATOM 0 HG22 THR A 396 15.674 3.056 9.238 1.00 0.68 H new ATOM 0 HG23 THR A 396 14.092 3.866 9.147 1.00 0.68 H new ATOM 921 N ASN A 397 15.785 0.721 6.091 1.00 0.55 N ATOM 922 CA ASN A 397 16.427 -0.408 5.469 1.00 0.62 C ATOM 923 C ASN A 397 16.401 -1.638 6.351 1.00 0.69 C ATOM 924 O ASN A 397 15.903 -1.598 7.476 1.00 0.70 O ATOM 925 CB ASN A 397 17.878 -0.121 5.199 1.00 0.63 C ATOM 926 CG ASN A 397 18.137 0.725 3.980 1.00 0.70 C ATOM 927 OD1 ASN A 397 17.202 1.577 3.655 1.00 1.12 O flip ATOM 928 ND2 ASN A 397 19.174 0.602 3.331 1.00 0.50 N flip ATOM 0 H ASN A 397 16.371 1.556 6.109 1.00 0.55 H new ATOM 0 HA ASN A 397 15.873 -0.587 4.548 1.00 0.62 H new ATOM 0 HB2 ASN A 397 18.303 0.380 6.069 1.00 0.63 H new ATOM 0 HB3 ASN A 397 18.407 -1.068 5.086 1.00 0.63 H new ATOM 0 HD21 ASN A 397 19.879 -0.076 3.620 1.00 0.50 H new ATOM 0 HD22 ASN A 397 19.329 1.178 2.504 1.00 0.50 H new ATOM 935 N ASP A 398 16.977 -2.714 5.866 1.00 0.78 N ATOM 936 CA ASP A 398 17.202 -3.885 6.698 1.00 0.85 C ATOM 937 C ASP A 398 17.935 -3.510 7.988 1.00 0.78 C ATOM 938 O ASP A 398 17.812 -4.188 9.010 1.00 0.83 O ATOM 939 CB ASP A 398 18.001 -4.930 5.950 1.00 0.97 C ATOM 940 CG ASP A 398 17.302 -5.442 4.710 1.00 1.23 C ATOM 941 OD1 ASP A 398 16.190 -4.962 4.409 1.00 1.63 O1- ATOM 942 OD2 ASP A 398 17.850 -6.333 4.029 1.00 1.65 O ATOM 0 H ASP A 398 17.299 -2.808 4.903 1.00 0.78 H new ATOM 0 HA ASP A 398 16.226 -4.297 6.954 1.00 0.85 H new ATOM 0 HB2 ASP A 398 18.965 -4.507 5.667 1.00 0.97 H new ATOM 0 HB3 ASP A 398 18.204 -5.768 6.617 1.00 0.97 H new ATOM 947 N ASP A 399 18.666 -2.395 7.950 1.00 0.73 N ATOM 948 CA ASP A 399 19.513 -2.009 9.066 1.00 0.78 C ATOM 949 C ASP A 399 18.821 -1.047 9.988 1.00 0.74 C ATOM 950 O ASP A 399 19.121 -0.987 11.179 1.00 0.86 O ATOM 951 CB ASP A 399 20.756 -1.316 8.569 1.00 0.85 C ATOM 952 CG ASP A 399 21.794 -2.271 8.019 1.00 1.18 C ATOM 953 OD1 ASP A 399 22.482 -2.940 8.814 1.00 2.00 O1- ATOM 954 OD2 ASP A 399 21.922 -2.363 6.780 1.00 1.39 O ATOM 0 H ASP A 399 18.685 -1.750 7.160 1.00 0.73 H new ATOM 0 HA ASP A 399 19.754 -2.929 9.599 1.00 0.78 H new ATOM 0 HB2 ASP A 399 20.480 -0.603 7.792 1.00 0.85 H new ATOM 0 HB3 ASP A 399 21.196 -0.743 9.386 1.00 0.85 H new ATOM 959 N GLY A 400 17.909 -0.293 9.444 1.00 0.65 N ATOM 960 CA GLY A 400 17.345 0.782 10.202 1.00 0.65 C ATOM 961 C GLY A 400 17.876 2.108 9.737 1.00 0.61 C ATOM 962 O GLY A 400 18.035 3.051 10.515 1.00 0.66 O ATOM 0 H GLY A 400 17.547 -0.400 8.497 1.00 0.65 H new ATOM 0 HA2 GLY A 400 16.259 0.768 10.107 1.00 0.65 H new ATOM 0 HA3 GLY A 400 17.574 0.645 11.259 1.00 0.65 H new ATOM 966 N THR A 401 18.164 2.159 8.464 1.00 0.56 N ATOM 967 CA THR A 401 18.619 3.332 7.815 1.00 0.56 C ATOM 968 C THR A 401 17.550 3.722 6.859 1.00 0.50 C ATOM 969 O THR A 401 16.803 2.897 6.412 1.00 0.50 O ATOM 970 CB THR A 401 19.903 3.081 7.034 1.00 0.61 C ATOM 971 OG1 THR A 401 19.703 2.003 6.123 1.00 0.61 O ATOM 972 CG2 THR A 401 21.041 2.731 7.968 1.00 0.68 C ATOM 0 H THR A 401 18.082 1.354 7.842 1.00 0.56 H new ATOM 0 HA THR A 401 18.829 4.106 8.553 1.00 0.56 H new ATOM 0 HB THR A 401 20.158 3.991 6.491 1.00 0.61 H new ATOM 0 HG1 THR A 401 20.111 1.189 6.485 1.00 0.61 H new ATOM 0 HG21 THR A 401 21.947 2.556 7.388 1.00 0.68 H new ATOM 0 HG22 THR A 401 21.208 3.554 8.663 1.00 0.68 H new ATOM 0 HG23 THR A 401 20.789 1.830 8.527 1.00 0.68 H new ATOM 980 N PRO A 402 17.440 4.949 6.533 1.00 0.50 N ATOM 981 CA PRO A 402 16.368 5.416 5.716 1.00 0.46 C ATOM 982 C PRO A 402 16.467 4.942 4.298 1.00 0.45 C ATOM 983 O PRO A 402 17.464 4.372 3.852 1.00 0.56 O ATOM 984 CB PRO A 402 16.556 6.899 5.735 1.00 0.55 C ATOM 985 CG PRO A 402 18.009 6.985 5.832 1.00 0.81 C ATOM 986 CD PRO A 402 18.344 6.005 6.876 1.00 0.58 C ATOM 0 HA PRO A 402 15.406 5.061 6.084 1.00 0.46 H new ATOM 0 HB2 PRO A 402 16.172 7.376 4.833 1.00 0.55 H new ATOM 0 HB3 PRO A 402 16.056 7.369 6.582 1.00 0.55 H new ATOM 0 HG2 PRO A 402 18.489 6.741 4.884 1.00 0.81 H new ATOM 0 HG3 PRO A 402 18.334 7.989 6.105 1.00 0.81 H new ATOM 0 HD2 PRO A 402 19.387 5.690 6.832 1.00 0.58 H new ATOM 0 HD3 PRO A 402 18.170 6.391 7.880 1.00 0.58 H new ATOM 994 N TYR A 403 15.427 5.231 3.611 1.00 0.36 N ATOM 995 CA TYR A 403 15.353 5.047 2.182 1.00 0.34 C ATOM 996 C TYR A 403 14.323 6.013 1.670 1.00 0.29 C ATOM 997 O TYR A 403 13.894 6.869 2.419 1.00 0.29 O ATOM 998 CB TYR A 403 15.017 3.594 1.804 1.00 0.34 C ATOM 999 CG TYR A 403 13.654 3.101 2.239 1.00 0.31 C ATOM 1000 CD1 TYR A 403 12.494 3.575 1.640 1.00 0.29 C ATOM 1001 CD2 TYR A 403 13.529 2.155 3.246 1.00 0.37 C ATOM 1002 CE1 TYR A 403 11.253 3.132 2.029 1.00 0.28 C ATOM 1003 CE2 TYR A 403 12.288 1.704 3.638 1.00 0.38 C ATOM 1004 CZ TYR A 403 11.152 2.194 3.028 1.00 0.32 C ATOM 1005 OH TYR A 403 9.914 1.735 3.415 1.00 0.35 O ATOM 0 H TYR A 403 14.574 5.612 4.021 1.00 0.36 H new ATOM 0 HA TYR A 403 16.322 5.244 1.723 1.00 0.34 H new ATOM 0 HB2 TYR A 403 15.091 3.493 0.721 1.00 0.34 H new ATOM 0 HB3 TYR A 403 15.775 2.941 2.237 1.00 0.34 H new ATOM 0 HD1 TYR A 403 12.569 4.308 0.851 1.00 0.29 H new ATOM 0 HD2 TYR A 403 14.415 1.768 3.728 1.00 0.37 H new ATOM 0 HE1 TYR A 403 10.364 3.518 1.553 1.00 0.28 H new ATOM 0 HE2 TYR A 403 12.204 0.967 4.423 1.00 0.38 H new ATOM 0 HH TYR A 403 9.300 1.766 2.652 1.00 0.35 H new ATOM 1015 N GLU A 404 13.949 5.893 0.424 1.00 0.28 N ATOM 1016 CA GLU A 404 12.887 6.704 -0.144 1.00 0.24 C ATOM 1017 C GLU A 404 12.119 5.954 -1.205 1.00 0.24 C ATOM 1018 O GLU A 404 12.585 4.971 -1.786 1.00 0.31 O ATOM 1019 CB GLU A 404 13.403 7.987 -0.762 1.00 0.27 C ATOM 1020 CG GLU A 404 13.644 9.116 0.201 1.00 0.29 C ATOM 1021 CD GLU A 404 14.618 10.147 -0.322 1.00 0.36 C ATOM 1022 OE1 GLU A 404 14.317 10.797 -1.349 1.00 0.45 O ATOM 1023 OE2 GLU A 404 15.683 10.325 0.302 1.00 0.62 O1- ATOM 0 H GLU A 404 14.367 5.233 -0.232 1.00 0.28 H new ATOM 0 HA GLU A 404 12.232 6.946 0.693 1.00 0.24 H new ATOM 0 HB2 GLU A 404 14.336 7.770 -1.282 1.00 0.27 H new ATOM 0 HB3 GLU A 404 12.689 8.320 -1.515 1.00 0.27 H new ATOM 0 HG2 GLU A 404 12.695 9.603 0.425 1.00 0.29 H new ATOM 0 HG3 GLU A 404 14.023 8.710 1.139 1.00 0.29 H new ATOM 1030 N SER A 405 10.922 6.439 -1.412 1.00 0.20 N ATOM 1031 CA SER A 405 10.030 5.965 -2.410 1.00 0.20 C ATOM 1032 C SER A 405 9.428 7.182 -3.105 1.00 0.18 C ATOM 1033 O SER A 405 8.548 7.857 -2.562 1.00 0.23 O ATOM 1034 CB SER A 405 8.972 5.127 -1.706 1.00 0.26 C ATOM 1035 OG SER A 405 7.664 5.443 -2.127 1.00 1.33 O ATOM 0 H SER A 405 10.537 7.206 -0.861 1.00 0.20 H new ATOM 0 HA SER A 405 10.520 5.348 -3.163 1.00 0.20 H new ATOM 0 HB2 SER A 405 9.165 4.071 -1.894 1.00 0.26 H new ATOM 0 HB3 SER A 405 9.050 5.279 -0.629 1.00 0.26 H new ATOM 0 HG SER A 405 7.640 5.500 -3.105 1.00 1.33 H new ATOM 1041 N PRO A 406 9.967 7.545 -4.271 1.00 0.18 N ATOM 1042 CA PRO A 406 9.411 8.603 -5.083 1.00 0.19 C ATOM 1043 C PRO A 406 8.065 8.191 -5.623 1.00 0.17 C ATOM 1044 O PRO A 406 7.953 7.466 -6.609 1.00 0.17 O ATOM 1045 CB PRO A 406 10.427 8.749 -6.206 1.00 0.20 C ATOM 1046 CG PRO A 406 11.030 7.411 -6.295 1.00 0.19 C ATOM 1047 CD PRO A 406 11.151 6.969 -4.879 1.00 0.18 C ATOM 0 HA PRO A 406 9.248 9.532 -4.537 1.00 0.19 H new ATOM 0 HB2 PRO A 406 9.952 9.039 -7.143 1.00 0.20 H new ATOM 0 HB3 PRO A 406 11.172 9.511 -5.978 1.00 0.20 H new ATOM 0 HG2 PRO A 406 10.405 6.730 -6.872 1.00 0.19 H new ATOM 0 HG3 PRO A 406 12.003 7.445 -6.786 1.00 0.19 H new ATOM 0 HD2 PRO A 406 11.165 5.883 -4.792 1.00 0.18 H new ATOM 0 HD3 PRO A 406 12.066 7.337 -4.415 1.00 0.18 H new ATOM 1055 N VAL A 407 7.064 8.708 -4.997 1.00 0.17 N ATOM 1056 CA VAL A 407 5.731 8.353 -5.247 1.00 0.17 C ATOM 1057 C VAL A 407 4.983 9.534 -5.825 1.00 0.19 C ATOM 1058 O VAL A 407 5.451 10.667 -5.828 1.00 0.30 O ATOM 1059 CB VAL A 407 5.176 7.879 -3.902 1.00 0.16 C ATOM 1060 CG1 VAL A 407 3.912 8.597 -3.522 1.00 0.15 C ATOM 1061 CG2 VAL A 407 5.049 6.364 -3.881 1.00 0.23 C ATOM 0 H VAL A 407 7.168 9.416 -4.271 1.00 0.17 H new ATOM 0 HA VAL A 407 5.628 7.559 -5.987 1.00 0.17 H new ATOM 0 HB VAL A 407 5.891 8.145 -3.123 1.00 0.16 H new ATOM 0 HG11 VAL A 407 3.558 8.226 -2.560 1.00 0.15 H new ATOM 0 HG12 VAL A 407 4.109 9.666 -3.448 1.00 0.15 H new ATOM 0 HG13 VAL A 407 3.151 8.421 -4.282 1.00 0.15 H new ATOM 0 HG21 VAL A 407 4.653 6.045 -2.917 1.00 0.23 H new ATOM 0 HG22 VAL A 407 4.373 6.044 -4.674 1.00 0.23 H new ATOM 0 HG23 VAL A 407 6.030 5.914 -4.037 1.00 0.23 H new ATOM 1071 N ASN A 408 3.868 9.209 -6.389 1.00 0.19 N ATOM 1072 CA ASN A 408 3.013 10.123 -7.078 1.00 0.21 C ATOM 1073 C ASN A 408 1.739 10.199 -6.305 1.00 0.19 C ATOM 1074 O ASN A 408 1.091 11.235 -6.207 1.00 0.26 O ATOM 1075 CB ASN A 408 2.791 9.509 -8.432 1.00 0.34 C ATOM 1076 CG ASN A 408 4.105 9.235 -9.082 1.00 1.01 C ATOM 1077 OD1 ASN A 408 4.626 8.080 -8.758 1.00 1.84 O flip ATOM 1078 ND2 ASN A 408 4.649 10.044 -9.836 1.00 1.01 N flip ATOM 0 H ASN A 408 3.509 8.254 -6.383 1.00 0.19 H new ATOM 0 HA ASN A 408 3.420 11.129 -7.178 1.00 0.21 H new ATOM 0 HB2 ASN A 408 2.223 8.584 -8.334 1.00 0.34 H new ATOM 0 HB3 ASN A 408 2.200 10.181 -9.054 1.00 0.34 H new ATOM 0 HD21 ASN A 408 4.190 10.930 -10.050 1.00 1.01 H new ATOM 0 HD22 ASN A 408 5.558 9.828 -10.246 1.00 1.01 H new ATOM 1085 N TYR A 409 1.423 9.058 -5.739 1.00 0.15 N ATOM 1086 CA TYR A 409 0.264 8.914 -4.880 1.00 0.15 C ATOM 1087 C TYR A 409 0.622 8.137 -3.635 1.00 0.14 C ATOM 1088 O TYR A 409 0.976 6.961 -3.697 1.00 0.15 O ATOM 1089 CB TYR A 409 -0.881 8.232 -5.599 1.00 0.19 C ATOM 1090 CG TYR A 409 -1.334 8.980 -6.822 1.00 0.23 C ATOM 1091 CD1 TYR A 409 -1.882 10.243 -6.698 1.00 0.38 C ATOM 1092 CD2 TYR A 409 -1.203 8.439 -8.091 1.00 0.31 C ATOM 1093 CE1 TYR A 409 -2.292 10.953 -7.797 1.00 0.44 C ATOM 1094 CE2 TYR A 409 -1.610 9.143 -9.204 1.00 0.34 C ATOM 1095 CZ TYR A 409 -2.156 10.402 -9.053 1.00 0.35 C ATOM 1096 OH TYR A 409 -2.572 11.106 -10.161 1.00 0.41 O ATOM 0 H TYR A 409 1.961 8.200 -5.859 1.00 0.15 H new ATOM 0 HA TYR A 409 -0.060 9.916 -4.599 1.00 0.15 H new ATOM 0 HB2 TYR A 409 -0.575 7.226 -5.887 1.00 0.19 H new ATOM 0 HB3 TYR A 409 -1.721 8.125 -4.913 1.00 0.19 H new ATOM 0 HD1 TYR A 409 -1.989 10.679 -5.716 1.00 0.38 H new ATOM 0 HD2 TYR A 409 -0.777 7.454 -8.209 1.00 0.31 H new ATOM 0 HE1 TYR A 409 -2.719 11.938 -7.679 1.00 0.44 H new ATOM 0 HE2 TYR A 409 -1.502 8.712 -10.188 1.00 0.34 H new ATOM 0 HH TYR A 409 -2.024 10.855 -10.933 1.00 0.41 H new ATOM 1106 N TRP A 410 0.521 8.815 -2.521 1.00 0.13 N ATOM 1107 CA TRP A 410 0.831 8.262 -1.222 1.00 0.11 C ATOM 1108 C TRP A 410 -0.350 8.394 -0.306 1.00 0.10 C ATOM 1109 O TRP A 410 -0.989 9.444 -0.222 1.00 0.12 O ATOM 1110 CB TRP A 410 2.019 9.002 -0.610 1.00 0.12 C ATOM 1111 CG TRP A 410 2.449 8.533 0.745 1.00 0.11 C ATOM 1112 CD1 TRP A 410 2.830 9.329 1.773 1.00 0.12 C ATOM 1113 CD2 TRP A 410 2.565 7.187 1.218 1.00 0.11 C ATOM 1114 NE1 TRP A 410 3.159 8.576 2.860 1.00 0.13 N ATOM 1115 CE2 TRP A 410 3.017 7.252 2.545 1.00 0.11 C ATOM 1116 CE3 TRP A 410 2.329 5.942 0.655 1.00 0.11 C ATOM 1117 CZ2 TRP A 410 3.244 6.110 3.311 1.00 0.12 C ATOM 1118 CZ3 TRP A 410 2.556 4.813 1.406 1.00 0.11 C ATOM 1119 CH2 TRP A 410 3.013 4.903 2.723 1.00 0.11 C ATOM 0 H TRP A 410 0.215 9.787 -2.488 1.00 0.13 H new ATOM 0 HA TRP A 410 1.078 7.208 -1.346 1.00 0.11 H new ATOM 0 HB2 TRP A 410 2.867 8.915 -1.290 1.00 0.12 H new ATOM 0 HB3 TRP A 410 1.769 10.061 -0.545 1.00 0.12 H new ATOM 0 HD1 TRP A 410 2.868 10.408 1.736 1.00 0.12 H new ATOM 0 HE1 TRP A 410 3.462 8.941 3.763 1.00 0.13 H new ATOM 0 HE3 TRP A 410 1.971 5.860 -0.361 1.00 0.11 H new ATOM 0 HZ2 TRP A 410 3.590 6.179 4.332 1.00 0.12 H new ATOM 0 HZ3 TRP A 410 2.378 3.841 0.971 1.00 0.11 H new ATOM 0 HH2 TRP A 410 3.187 3.998 3.286 1.00 0.11 H new ATOM 1130 N MET A 411 -0.635 7.328 0.376 1.00 0.09 N ATOM 1131 CA MET A 411 -1.644 7.347 1.386 1.00 0.10 C ATOM 1132 C MET A 411 -1.173 6.624 2.638 1.00 0.09 C ATOM 1133 O MET A 411 -1.430 5.434 2.814 1.00 0.10 O ATOM 1134 CB MET A 411 -2.889 6.721 0.831 1.00 0.12 C ATOM 1135 CG MET A 411 -3.941 7.737 0.451 1.00 0.14 C ATOM 1136 SD MET A 411 -4.830 7.242 -1.027 1.00 0.41 S ATOM 1137 CE MET A 411 -5.145 5.531 -0.626 1.00 0.13 C ATOM 0 H MET A 411 -0.177 6.426 0.248 1.00 0.09 H new ATOM 0 HA MET A 411 -1.856 8.377 1.675 1.00 0.10 H new ATOM 0 HB2 MET A 411 -2.631 6.128 -0.046 1.00 0.12 H new ATOM 0 HB3 MET A 411 -3.304 6.035 1.569 1.00 0.12 H new ATOM 0 HG2 MET A 411 -4.644 7.860 1.275 1.00 0.14 H new ATOM 0 HG3 MET A 411 -3.470 8.706 0.286 1.00 0.14 H new ATOM 0 HE1 MET A 411 -5.483 5.004 -1.519 1.00 0.13 H new ATOM 0 HE2 MET A 411 -4.229 5.069 -0.257 1.00 0.13 H new ATOM 0 HE3 MET A 411 -5.916 5.473 0.143 1.00 0.13 H new ATOM 1147 N PRO A 412 -0.453 7.333 3.515 1.00 0.09 N ATOM 1148 CA PRO A 412 0.094 6.757 4.748 1.00 0.09 C ATOM 1149 C PRO A 412 -0.983 6.448 5.756 1.00 0.09 C ATOM 1150 O PRO A 412 -1.955 7.184 5.909 1.00 0.09 O ATOM 1151 CB PRO A 412 0.990 7.877 5.276 1.00 0.10 C ATOM 1152 CG PRO A 412 0.349 9.114 4.772 1.00 0.16 C ATOM 1153 CD PRO A 412 -0.110 8.764 3.388 1.00 0.11 C ATOM 0 HA PRO A 412 0.608 5.813 4.570 1.00 0.09 H new ATOM 0 HB2 PRO A 412 1.041 7.868 6.365 1.00 0.10 H new ATOM 0 HB3 PRO A 412 2.011 7.778 4.909 1.00 0.10 H new ATOM 0 HG2 PRO A 412 -0.488 9.413 5.404 1.00 0.16 H new ATOM 0 HG3 PRO A 412 1.051 9.947 4.758 1.00 0.16 H new ATOM 0 HD2 PRO A 412 -0.969 9.361 3.083 1.00 0.11 H new ATOM 0 HD3 PRO A 412 0.673 8.929 2.647 1.00 0.11 H new ATOM 1161 N ILE A 413 -0.797 5.321 6.413 1.00 0.09 N ATOM 1162 CA ILE A 413 -1.773 4.773 7.329 1.00 0.10 C ATOM 1163 C ILE A 413 -1.167 4.540 8.700 1.00 0.14 C ATOM 1164 O ILE A 413 -1.876 4.312 9.676 1.00 0.17 O ATOM 1165 CB ILE A 413 -2.289 3.449 6.784 1.00 0.09 C ATOM 1166 CG1 ILE A 413 -1.168 2.398 6.809 1.00 0.10 C ATOM 1167 CG2 ILE A 413 -2.798 3.688 5.383 1.00 0.09 C ATOM 1168 CD1 ILE A 413 -1.444 1.178 5.967 1.00 0.11 C ATOM 0 H ILE A 413 0.046 4.754 6.324 1.00 0.09 H new ATOM 0 HA ILE A 413 -2.589 5.489 7.426 1.00 0.10 H new ATOM 0 HB ILE A 413 -3.103 3.066 7.400 1.00 0.09 H new ATOM 0 HG12 ILE A 413 -0.243 2.861 6.465 1.00 0.10 H new ATOM 0 HG13 ILE A 413 -1.003 2.084 7.840 1.00 0.10 H new ATOM 0 HG21 ILE A 413 -3.174 2.753 4.968 1.00 0.09 H new ATOM 0 HG22 ILE A 413 -3.602 4.423 5.409 1.00 0.09 H new ATOM 0 HG23 ILE A 413 -1.985 4.061 4.759 1.00 0.09 H new ATOM 0 HD11 ILE A 413 -0.604 0.487 6.041 1.00 0.11 H new ATOM 0 HD12 ILE A 413 -2.350 0.687 6.324 1.00 0.11 H new ATOM 0 HD13 ILE A 413 -1.578 1.476 4.927 1.00 0.11 H new ATOM 1180 N ASP A 414 0.156 4.542 8.747 1.00 0.15 N ATOM 1181 CA ASP A 414 0.875 4.402 10.001 1.00 0.22 C ATOM 1182 C ASP A 414 2.000 5.424 10.059 1.00 0.21 C ATOM 1183 O ASP A 414 2.423 5.929 9.019 1.00 0.22 O ATOM 1184 CB ASP A 414 1.431 2.986 10.151 1.00 0.31 C ATOM 1185 CG ASP A 414 1.877 2.679 11.564 1.00 0.88 C ATOM 1186 OD1 ASP A 414 1.038 2.248 12.375 1.00 1.59 O ATOM 1187 OD2 ASP A 414 3.072 2.864 11.867 1.00 1.23 O1- ATOM 0 H ASP A 414 0.755 4.640 7.927 1.00 0.15 H new ATOM 0 HA ASP A 414 0.185 4.581 10.826 1.00 0.22 H new ATOM 0 HB2 ASP A 414 0.668 2.267 9.851 1.00 0.31 H new ATOM 0 HB3 ASP A 414 2.274 2.858 9.472 1.00 0.31 H new ATOM 1192 N TRP A 415 2.506 5.707 11.248 1.00 0.24 N ATOM 1193 CA TRP A 415 3.553 6.707 11.411 1.00 0.25 C ATOM 1194 C TRP A 415 4.949 6.094 11.347 1.00 0.27 C ATOM 1195 O TRP A 415 5.934 6.746 11.693 1.00 0.31 O ATOM 1196 CB TRP A 415 3.357 7.500 12.697 1.00 0.28 C ATOM 1197 CG TRP A 415 2.310 8.559 12.561 1.00 0.28 C ATOM 1198 CD1 TRP A 415 2.522 9.897 12.441 1.00 0.30 C ATOM 1199 CD2 TRP A 415 0.891 8.369 12.505 1.00 0.27 C ATOM 1200 NE1 TRP A 415 1.323 10.556 12.330 1.00 0.30 N ATOM 1201 CE2 TRP A 415 0.307 9.640 12.365 1.00 0.28 C ATOM 1202 CE3 TRP A 415 0.056 7.251 12.563 1.00 0.27 C ATOM 1203 CZ2 TRP A 415 -1.070 9.821 12.284 1.00 0.28 C ATOM 1204 CZ3 TRP A 415 -1.311 7.439 12.480 1.00 0.27 C ATOM 1205 CH2 TRP A 415 -1.859 8.713 12.343 1.00 0.27 C ATOM 0 H TRP A 415 2.210 5.260 12.116 1.00 0.24 H new ATOM 0 HA TRP A 415 3.471 7.397 10.571 1.00 0.25 H new ATOM 0 HB2 TRP A 415 3.079 6.819 13.501 1.00 0.28 H new ATOM 0 HB3 TRP A 415 4.302 7.962 12.983 1.00 0.28 H new ATOM 0 HD1 TRP A 415 3.492 10.372 12.434 1.00 0.30 H new ATOM 0 HE1 TRP A 415 1.208 11.565 12.237 1.00 0.30 H new ATOM 0 HE3 TRP A 415 0.470 6.259 12.671 1.00 0.27 H new ATOM 0 HZ2 TRP A 415 -1.498 10.807 12.178 1.00 0.28 H new ATOM 0 HZ3 TRP A 415 -1.967 6.582 12.522 1.00 0.27 H new ATOM 0 HH2 TRP A 415 -2.932 8.824 12.282 1.00 0.27 H new ATOM 1216 N THR A 416 5.049 4.863 10.888 1.00 0.27 N ATOM 1217 CA THR A 416 6.349 4.252 10.678 1.00 0.32 C ATOM 1218 C THR A 416 6.745 4.497 9.248 1.00 0.30 C ATOM 1219 O THR A 416 7.922 4.563 8.889 1.00 0.35 O ATOM 1220 CB THR A 416 6.322 2.743 10.948 1.00 0.40 C ATOM 1221 OG1 THR A 416 5.115 2.170 10.423 1.00 0.41 O ATOM 1222 CG2 THR A 416 6.419 2.466 12.434 1.00 0.44 C ATOM 0 H THR A 416 4.254 4.269 10.654 1.00 0.27 H new ATOM 0 HA THR A 416 7.065 4.693 11.372 1.00 0.32 H new ATOM 0 HB THR A 416 7.180 2.289 10.452 1.00 0.40 H new ATOM 0 HG1 THR A 416 4.437 2.132 11.129 1.00 0.41 H new ATOM 0 HG21 THR A 416 6.398 1.390 12.606 1.00 0.44 H new ATOM 0 HG22 THR A 416 7.351 2.877 12.821 1.00 0.44 H new ATOM 0 HG23 THR A 416 5.577 2.931 12.947 1.00 0.44 H new ATOM 1230 N GLY A 417 5.716 4.672 8.452 1.00 0.24 N ATOM 1231 CA GLY A 417 5.883 4.954 7.065 1.00 0.24 C ATOM 1232 C GLY A 417 5.202 3.943 6.197 1.00 0.19 C ATOM 1233 O GLY A 417 5.624 3.683 5.073 1.00 0.20 O ATOM 0 H GLY A 417 4.744 4.621 8.758 1.00 0.24 H new ATOM 0 HA2 GLY A 417 5.485 5.945 6.847 1.00 0.24 H new ATOM 0 HA3 GLY A 417 6.946 4.978 6.826 1.00 0.24 H new ATOM 1237 N VAL A 418 4.134 3.367 6.716 1.00 0.15 N ATOM 1238 CA VAL A 418 3.367 2.424 5.950 1.00 0.11 C ATOM 1239 C VAL A 418 2.108 3.068 5.420 1.00 0.09 C ATOM 1240 O VAL A 418 1.535 3.966 6.045 1.00 0.09 O ATOM 1241 CB VAL A 418 3.018 1.154 6.754 1.00 0.14 C ATOM 1242 CG1 VAL A 418 2.105 0.233 5.965 1.00 0.14 C ATOM 1243 CG2 VAL A 418 4.287 0.421 7.099 1.00 0.17 C ATOM 0 H VAL A 418 3.786 3.539 7.659 1.00 0.15 H new ATOM 0 HA VAL A 418 3.993 2.115 5.113 1.00 0.11 H new ATOM 0 HB VAL A 418 2.495 1.456 7.661 1.00 0.14 H new ATOM 0 HG11 VAL A 418 1.879 -0.652 6.560 1.00 0.14 H new ATOM 0 HG12 VAL A 418 1.179 0.756 5.726 1.00 0.14 H new ATOM 0 HG13 VAL A 418 2.601 -0.068 5.042 1.00 0.14 H new ATOM 0 HG21 VAL A 418 4.045 -0.477 7.667 1.00 0.17 H new ATOM 0 HG22 VAL A 418 4.807 0.142 6.182 1.00 0.17 H new ATOM 0 HG23 VAL A 418 4.929 1.067 7.698 1.00 0.17 H new ATOM 1253 N GLY A 419 1.697 2.601 4.265 1.00 0.10 N ATOM 1254 CA GLY A 419 0.520 3.122 3.617 1.00 0.08 C ATOM 1255 C GLY A 419 0.345 2.526 2.246 1.00 0.08 C ATOM 1256 O GLY A 419 1.004 1.541 1.910 1.00 0.09 O ATOM 0 H GLY A 419 2.166 1.855 3.752 1.00 0.10 H new ATOM 0 HA2 GLY A 419 -0.359 2.907 4.225 1.00 0.08 H new ATOM 0 HA3 GLY A 419 0.595 4.207 3.538 1.00 0.08 H new ATOM 1260 N ILE A 420 -0.520 3.123 1.449 1.00 0.08 N ATOM 1261 CA ILE A 420 -0.707 2.693 0.093 1.00 0.09 C ATOM 1262 C ILE A 420 -0.007 3.676 -0.834 1.00 0.07 C ATOM 1263 O ILE A 420 -0.058 4.885 -0.604 1.00 0.08 O ATOM 1264 CB ILE A 420 -2.210 2.609 -0.240 1.00 0.10 C ATOM 1265 CG1 ILE A 420 -2.622 1.172 -0.507 1.00 0.11 C ATOM 1266 CG2 ILE A 420 -2.542 3.442 -1.436 1.00 0.12 C ATOM 1267 CD1 ILE A 420 -2.780 0.318 0.728 1.00 0.11 C ATOM 0 H ILE A 420 -1.104 3.912 1.728 1.00 0.08 H new ATOM 0 HA ILE A 420 -0.278 1.700 -0.041 1.00 0.09 H new ATOM 0 HB ILE A 420 -2.757 2.989 0.623 1.00 0.10 H new ATOM 0 HG12 ILE A 420 -3.566 1.175 -1.053 1.00 0.11 H new ATOM 0 HG13 ILE A 420 -1.879 0.711 -1.158 1.00 0.11 H new ATOM 0 HG21 ILE A 420 -3.608 3.365 -1.649 1.00 0.12 H new ATOM 0 HG22 ILE A 420 -2.286 4.483 -1.237 1.00 0.12 H new ATOM 0 HG23 ILE A 420 -1.974 3.087 -2.296 1.00 0.12 H new ATOM 0 HD11 ILE A 420 -3.076 -0.690 0.438 1.00 0.11 H new ATOM 0 HD12 ILE A 420 -1.833 0.278 1.266 1.00 0.11 H new ATOM 0 HD13 ILE A 420 -3.546 0.749 1.373 1.00 0.11 H new ATOM 1279 N HIS A 421 0.656 3.179 -1.859 1.00 0.07 N ATOM 1280 CA HIS A 421 1.320 4.067 -2.805 1.00 0.07 C ATOM 1281 C HIS A 421 1.378 3.476 -4.185 1.00 0.09 C ATOM 1282 O HIS A 421 1.217 2.278 -4.378 1.00 0.11 O ATOM 1283 CB HIS A 421 2.752 4.395 -2.400 1.00 0.09 C ATOM 1284 CG HIS A 421 3.646 3.215 -2.255 1.00 0.11 C ATOM 1285 ND1 HIS A 421 4.139 2.630 -1.144 1.00 0.12 N flip ATOM 1286 CD2 HIS A 421 4.207 2.562 -3.322 1.00 0.13 C flip ATOM 1287 CE1 HIS A 421 5.026 1.625 -1.517 1.00 0.15 C flip ATOM 1288 NE2 HIS A 421 5.035 1.627 -2.834 1.00 0.15 N flip ATOM 0 H HIS A 421 0.752 2.184 -2.060 1.00 0.07 H new ATOM 0 HA HIS A 421 0.717 4.975 -2.801 1.00 0.07 H new ATOM 0 HB2 HIS A 421 3.180 5.068 -3.143 1.00 0.09 H new ATOM 0 HB3 HIS A 421 2.732 4.936 -1.454 1.00 0.09 H new ATOM 0 HD1 HIS A 421 3.900 2.883 -0.185 1.00 0.12 H new ATOM 0 HD2 HIS A 421 4.017 2.764 -4.366 1.00 0.13 H new ATOM 0 HE1 HIS A 421 5.590 0.977 -0.862 1.00 0.15 H new ATOM 1296 N ASP A 422 1.649 4.344 -5.134 1.00 0.11 N ATOM 1297 CA ASP A 422 1.889 3.966 -6.482 1.00 0.14 C ATOM 1298 C ASP A 422 3.375 3.748 -6.647 1.00 0.19 C ATOM 1299 O ASP A 422 4.187 4.501 -6.115 1.00 0.29 O ATOM 1300 CB ASP A 422 1.383 5.068 -7.395 1.00 0.20 C ATOM 1301 CG ASP A 422 2.437 6.064 -7.808 1.00 0.31 C ATOM 1302 OD1 ASP A 422 2.864 6.868 -6.957 1.00 0.33 O1- ATOM 1303 OD2 ASP A 422 2.866 6.022 -8.981 1.00 0.42 O ATOM 0 H ASP A 422 1.707 5.349 -4.973 1.00 0.11 H new ATOM 0 HA ASP A 422 1.366 3.045 -6.741 1.00 0.14 H new ATOM 0 HB2 ASP A 422 0.957 4.615 -8.290 1.00 0.20 H new ATOM 0 HB3 ASP A 422 0.575 5.599 -6.891 1.00 0.20 H new ATOM 1308 N SER A 423 3.737 2.707 -7.337 1.00 0.15 N ATOM 1309 CA SER A 423 5.133 2.367 -7.453 1.00 0.19 C ATOM 1310 C SER A 423 5.473 2.131 -8.885 1.00 0.15 C ATOM 1311 O SER A 423 5.194 1.085 -9.464 1.00 0.16 O ATOM 1312 CB SER A 423 5.415 1.115 -6.631 1.00 0.26 C ATOM 1313 OG SER A 423 4.338 0.862 -5.747 1.00 1.48 O ATOM 0 H SER A 423 3.096 2.081 -7.825 1.00 0.15 H new ATOM 0 HA SER A 423 5.745 3.187 -7.077 1.00 0.19 H new ATOM 0 HB2 SER A 423 5.561 0.261 -7.293 1.00 0.26 H new ATOM 0 HB3 SER A 423 6.338 1.242 -6.065 1.00 0.26 H new ATOM 0 HG SER A 423 3.580 0.499 -6.251 1.00 1.48 H new ATOM 1319 N ASP A 424 6.081 3.140 -9.438 1.00 0.13 N ATOM 1320 CA ASP A 424 6.463 3.125 -10.822 1.00 0.13 C ATOM 1321 C ASP A 424 7.911 2.675 -10.985 1.00 0.12 C ATOM 1322 O ASP A 424 8.296 2.087 -11.995 1.00 0.15 O ATOM 1323 CB ASP A 424 6.193 4.494 -11.395 1.00 0.15 C ATOM 1324 CG ASP A 424 6.725 4.668 -12.800 1.00 0.25 C ATOM 1325 OD1 ASP A 424 6.051 4.229 -13.754 1.00 0.34 O ATOM 1326 OD2 ASP A 424 7.823 5.245 -12.959 1.00 0.35 O1- ATOM 0 H ASP A 424 6.327 3.997 -8.943 1.00 0.13 H new ATOM 0 HA ASP A 424 5.874 2.397 -11.380 1.00 0.13 H new ATOM 0 HB2 ASP A 424 5.118 4.675 -11.396 1.00 0.15 H new ATOM 0 HB3 ASP A 424 6.643 5.247 -10.747 1.00 0.15 H new ATOM 1331 N TRP A 425 8.711 2.994 -9.954 1.00 0.12 N ATOM 1332 CA TRP A 425 10.107 2.557 -9.859 1.00 0.14 C ATOM 1333 C TRP A 425 10.146 1.061 -9.690 1.00 0.15 C ATOM 1334 O TRP A 425 11.134 0.400 -10.004 1.00 0.18 O ATOM 1335 CB TRP A 425 10.782 3.200 -8.640 1.00 0.14 C ATOM 1336 CG TRP A 425 10.341 2.665 -7.321 1.00 0.12 C ATOM 1337 CD1 TRP A 425 10.781 1.560 -6.669 1.00 0.13 C ATOM 1338 CD2 TRP A 425 9.381 3.265 -6.485 1.00 0.12 C ATOM 1339 NE1 TRP A 425 10.129 1.433 -5.463 1.00 0.13 N ATOM 1340 CE2 TRP A 425 9.264 2.481 -5.331 1.00 0.12 C ATOM 1341 CE3 TRP A 425 8.612 4.398 -6.619 1.00 0.14 C ATOM 1342 CZ2 TRP A 425 8.392 2.813 -4.306 1.00 0.14 C ATOM 1343 CZ3 TRP A 425 7.758 4.735 -5.613 1.00 0.16 C ATOM 1344 CH2 TRP A 425 7.647 3.948 -4.464 1.00 0.15 C ATOM 0 H TRP A 425 8.405 3.562 -9.164 1.00 0.12 H new ATOM 0 HA TRP A 425 10.632 2.855 -10.767 1.00 0.14 H new ATOM 0 HB2 TRP A 425 11.860 3.066 -8.728 1.00 0.14 H new ATOM 0 HB3 TRP A 425 10.592 4.273 -8.662 1.00 0.14 H new ATOM 0 HD1 TRP A 425 11.533 0.880 -7.041 1.00 0.13 H new ATOM 0 HE1 TRP A 425 10.268 0.684 -4.784 1.00 0.13 H new ATOM 0 HE3 TRP A 425 8.684 5.009 -7.506 1.00 0.14 H new ATOM 0 HZ2 TRP A 425 8.305 2.201 -3.420 1.00 0.14 H new ATOM 0 HZ3 TRP A 425 7.156 5.627 -5.705 1.00 0.16 H new ATOM 0 HH2 TRP A 425 6.959 4.242 -3.685 1.00 0.15 H new ATOM 1355 N GLN A 426 9.065 0.566 -9.128 1.00 0.15 N ATOM 1356 CA GLN A 426 8.938 -0.827 -8.752 1.00 0.17 C ATOM 1357 C GLN A 426 7.792 -1.436 -9.484 1.00 0.18 C ATOM 1358 O GLN A 426 6.680 -1.575 -8.980 1.00 0.28 O ATOM 1359 CB GLN A 426 8.673 -0.906 -7.291 1.00 0.18 C ATOM 1360 CG GLN A 426 9.706 -1.690 -6.502 1.00 0.58 C ATOM 1361 CD GLN A 426 9.651 -3.188 -6.754 1.00 0.63 C ATOM 1362 OE1 GLN A 426 10.685 -3.848 -6.757 1.00 1.33 O ATOM 1363 NE2 GLN A 426 8.451 -3.748 -6.934 1.00 0.22 N ATOM 0 H GLN A 426 8.239 1.126 -8.916 1.00 0.15 H new ATOM 0 HA GLN A 426 9.856 -1.361 -8.999 1.00 0.17 H new ATOM 0 HB2 GLN A 426 8.620 0.106 -6.890 1.00 0.18 H new ATOM 0 HB3 GLN A 426 7.695 -1.362 -7.137 1.00 0.18 H new ATOM 0 HG2 GLN A 426 10.701 -1.323 -6.755 1.00 0.58 H new ATOM 0 HG3 GLN A 426 9.558 -1.503 -5.438 1.00 0.58 H new ATOM 0 HE21 GLN A 426 7.611 -3.169 -6.926 1.00 0.22 H new ATOM 0 HE22 GLN A 426 8.375 -4.755 -7.080 1.00 0.22 H new ATOM 1372 N PRO A 427 8.111 -1.811 -10.684 1.00 0.16 N ATOM 1373 CA PRO A 427 7.175 -2.048 -11.742 1.00 0.18 C ATOM 1374 C PRO A 427 6.505 -3.401 -11.685 1.00 0.16 C ATOM 1375 O PRO A 427 5.777 -3.776 -12.606 1.00 0.18 O ATOM 1376 CB PRO A 427 8.084 -1.958 -12.945 1.00 0.23 C ATOM 1377 CG PRO A 427 9.309 -2.595 -12.459 1.00 0.23 C ATOM 1378 CD PRO A 427 9.476 -2.008 -11.120 1.00 0.19 C ATOM 0 HA PRO A 427 6.335 -1.354 -11.721 1.00 0.18 H new ATOM 0 HB2 PRO A 427 7.669 -2.479 -13.808 1.00 0.23 H new ATOM 0 HB3 PRO A 427 8.256 -0.925 -13.249 1.00 0.23 H new ATOM 0 HG2 PRO A 427 9.210 -3.680 -12.415 1.00 0.23 H new ATOM 0 HG3 PRO A 427 10.160 -2.378 -13.104 1.00 0.23 H new ATOM 0 HD2 PRO A 427 10.022 -2.674 -10.452 1.00 0.19 H new ATOM 0 HD3 PRO A 427 10.029 -1.069 -11.156 1.00 0.19 H new ATOM 1386 N GLU A 428 6.764 -4.138 -10.622 1.00 0.14 N ATOM 1387 CA GLU A 428 6.192 -5.447 -10.476 1.00 0.14 C ATOM 1388 C GLU A 428 5.242 -5.484 -9.304 1.00 0.12 C ATOM 1389 O GLU A 428 5.393 -4.734 -8.348 1.00 0.15 O ATOM 1390 CB GLU A 428 7.261 -6.471 -10.239 1.00 0.17 C ATOM 1391 CG GLU A 428 6.928 -7.811 -10.818 1.00 0.22 C ATOM 1392 CD GLU A 428 7.535 -8.027 -12.187 1.00 0.64 C ATOM 1393 OE1 GLU A 428 6.960 -7.534 -13.177 1.00 1.10 O1- ATOM 1394 OE2 GLU A 428 8.589 -8.691 -12.281 1.00 0.98 O ATOM 0 H GLU A 428 7.367 -3.846 -9.852 1.00 0.14 H new ATOM 0 HA GLU A 428 5.658 -5.673 -11.399 1.00 0.14 H new ATOM 0 HB2 GLU A 428 8.197 -6.117 -10.671 1.00 0.17 H new ATOM 0 HB3 GLU A 428 7.425 -6.576 -9.166 1.00 0.17 H new ATOM 0 HG2 GLU A 428 7.280 -8.591 -10.143 1.00 0.22 H new ATOM 0 HG3 GLU A 428 5.845 -7.913 -10.886 1.00 0.22 H new ATOM 1401 N TYR A 429 4.296 -6.398 -9.403 1.00 0.11 N ATOM 1402 CA TYR A 429 3.167 -6.526 -8.487 1.00 0.10 C ATOM 1403 C TYR A 429 2.553 -7.888 -8.688 1.00 0.10 C ATOM 1404 O TYR A 429 2.210 -8.257 -9.812 1.00 0.14 O ATOM 1405 CB TYR A 429 2.075 -5.537 -8.814 1.00 0.13 C ATOM 1406 CG TYR A 429 2.507 -4.291 -9.538 1.00 0.16 C ATOM 1407 CD1 TYR A 429 2.898 -3.166 -8.833 1.00 0.19 C ATOM 1408 CD2 TYR A 429 2.530 -4.250 -10.919 1.00 0.23 C ATOM 1409 CE1 TYR A 429 3.310 -2.024 -9.493 1.00 0.25 C ATOM 1410 CE2 TYR A 429 2.935 -3.118 -11.588 1.00 0.29 C ATOM 1411 CZ TYR A 429 3.326 -2.006 -10.874 1.00 0.30 C ATOM 1412 OH TYR A 429 3.740 -0.879 -11.543 1.00 0.38 O ATOM 0 H TYR A 429 4.287 -7.097 -10.146 1.00 0.11 H new ATOM 0 HA TYR A 429 3.537 -6.360 -7.475 1.00 0.10 H new ATOM 0 HB2 TYR A 429 1.324 -6.043 -9.420 1.00 0.13 H new ATOM 0 HB3 TYR A 429 1.589 -5.243 -7.884 1.00 0.13 H new ATOM 0 HD1 TYR A 429 2.881 -3.181 -7.753 1.00 0.19 H new ATOM 0 HD2 TYR A 429 2.225 -5.120 -11.482 1.00 0.23 H new ATOM 0 HE1 TYR A 429 3.617 -1.153 -8.934 1.00 0.25 H new ATOM 0 HE2 TYR A 429 2.946 -3.101 -12.668 1.00 0.29 H new ATOM 0 HH TYR A 429 4.352 -0.367 -10.974 1.00 0.38 H new ATOM 1422 N GLY A 430 2.443 -8.645 -7.641 1.00 0.10 N ATOM 1423 CA GLY A 430 1.863 -9.953 -7.777 1.00 0.12 C ATOM 1424 C GLY A 430 2.470 -10.915 -6.807 1.00 0.13 C ATOM 1425 O GLY A 430 3.234 -10.485 -5.949 1.00 0.13 O ATOM 0 H GLY A 430 2.739 -8.391 -6.699 1.00 0.10 H new ATOM 0 HA2 GLY A 430 0.787 -9.896 -7.612 1.00 0.12 H new ATOM 0 HA3 GLY A 430 2.011 -10.316 -8.794 1.00 0.12 H new ATOM 1429 N GLY A 431 2.186 -12.211 -7.009 1.00 0.16 N ATOM 1430 CA GLY A 431 2.756 -13.290 -6.200 1.00 0.20 C ATOM 1431 C GLY A 431 4.127 -12.964 -5.655 1.00 0.17 C ATOM 1432 O GLY A 431 4.916 -12.313 -6.340 1.00 0.16 O ATOM 0 H GLY A 431 1.553 -12.537 -7.740 1.00 0.16 H new ATOM 0 HA2 GLY A 431 2.084 -13.507 -5.370 1.00 0.20 H new ATOM 0 HA3 GLY A 431 2.818 -14.195 -6.804 1.00 0.20 H new ATOM 1436 N ASP A 432 4.482 -13.554 -4.520 1.00 0.18 N ATOM 1437 CA ASP A 432 5.322 -12.865 -3.549 1.00 0.18 C ATOM 1438 C ASP A 432 6.590 -12.374 -4.163 1.00 0.18 C ATOM 1439 O ASP A 432 7.570 -13.087 -4.375 1.00 0.19 O ATOM 1440 CB ASP A 432 5.684 -13.795 -2.400 1.00 0.22 C ATOM 1441 CG ASP A 432 4.509 -14.567 -1.845 1.00 0.25 C ATOM 1442 OD1 ASP A 432 4.161 -15.618 -2.424 1.00 0.29 O ATOM 1443 OD2 ASP A 432 3.948 -14.142 -0.817 1.00 0.33 O1- ATOM 0 H ASP A 432 4.205 -14.498 -4.251 1.00 0.18 H new ATOM 0 HA ASP A 432 4.746 -12.014 -3.185 1.00 0.18 H new ATOM 0 HB2 ASP A 432 6.442 -14.501 -2.741 1.00 0.22 H new ATOM 0 HB3 ASP A 432 6.133 -13.209 -1.598 1.00 0.22 H new ATOM 1448 N LEU A 433 6.509 -11.097 -4.418 1.00 0.16 N ATOM 1449 CA LEU A 433 7.562 -10.311 -4.949 1.00 0.15 C ATOM 1450 C LEU A 433 8.255 -9.634 -3.812 1.00 0.14 C ATOM 1451 O LEU A 433 9.443 -9.365 -3.891 1.00 0.15 O ATOM 1452 CB LEU A 433 6.927 -9.337 -5.895 1.00 0.14 C ATOM 1453 CG LEU A 433 6.504 -9.957 -7.212 1.00 0.15 C ATOM 1454 CD1 LEU A 433 5.643 -8.993 -7.981 1.00 0.13 C ATOM 1455 CD2 LEU A 433 7.720 -10.372 -8.015 1.00 0.18 C ATOM 0 H LEU A 433 5.659 -10.560 -4.248 1.00 0.16 H new ATOM 0 HA LEU A 433 8.310 -10.895 -5.486 1.00 0.15 H new ATOM 0 HB2 LEU A 433 6.055 -8.894 -5.415 1.00 0.14 H new ATOM 0 HB3 LEU A 433 7.628 -8.526 -6.093 1.00 0.14 H new ATOM 0 HG LEU A 433 5.916 -10.853 -7.013 1.00 0.15 H new ATOM 0 HD11 LEU A 433 5.344 -9.447 -8.926 1.00 0.13 H new ATOM 0 HD12 LEU A 433 4.755 -8.752 -7.397 1.00 0.13 H new ATOM 0 HD13 LEU A 433 6.206 -8.081 -8.179 1.00 0.13 H new ATOM 0 HD21 LEU A 433 7.399 -10.815 -8.958 1.00 0.18 H new ATOM 0 HD22 LEU A 433 8.338 -9.497 -8.217 1.00 0.18 H new ATOM 0 HD23 LEU A 433 8.298 -11.102 -7.449 1.00 0.18 H new ATOM 1467 N TRP A 434 7.505 -9.344 -2.770 1.00 0.14 N ATOM 1468 CA TRP A 434 8.032 -8.600 -1.641 1.00 0.14 C ATOM 1469 C TRP A 434 9.379 -9.139 -1.204 1.00 0.17 C ATOM 1470 O TRP A 434 10.310 -8.375 -0.941 1.00 0.22 O ATOM 1471 CB TRP A 434 7.031 -8.566 -0.481 1.00 0.15 C ATOM 1472 CG TRP A 434 6.444 -9.894 -0.064 1.00 0.16 C ATOM 1473 CD1 TRP A 434 5.602 -10.683 -0.788 1.00 0.17 C ATOM 1474 CD2 TRP A 434 6.601 -10.551 1.202 1.00 0.16 C ATOM 1475 NE1 TRP A 434 5.259 -11.800 -0.065 1.00 0.18 N ATOM 1476 CE2 TRP A 434 5.858 -11.738 1.158 1.00 0.18 C ATOM 1477 CE3 TRP A 434 7.307 -10.260 2.362 1.00 0.17 C ATOM 1478 CZ2 TRP A 434 5.804 -12.620 2.229 1.00 0.19 C ATOM 1479 CZ3 TRP A 434 7.251 -11.131 3.428 1.00 0.19 C ATOM 1480 CH2 TRP A 434 6.503 -12.300 3.353 1.00 0.19 C ATOM 0 H TRP A 434 6.525 -9.612 -2.679 1.00 0.14 H new ATOM 0 HA TRP A 434 8.187 -7.571 -1.966 1.00 0.14 H new ATOM 0 HB2 TRP A 434 7.525 -8.124 0.384 1.00 0.15 H new ATOM 0 HB3 TRP A 434 6.212 -7.901 -0.755 1.00 0.15 H new ATOM 0 HD1 TRP A 434 5.254 -10.462 -1.786 1.00 0.17 H new ATOM 0 HE1 TRP A 434 4.654 -12.554 -0.391 1.00 0.18 H new ATOM 0 HE3 TRP A 434 7.896 -9.357 2.428 1.00 0.17 H new ATOM 0 HZ2 TRP A 434 5.226 -13.531 2.172 1.00 0.19 H new ATOM 0 HZ3 TRP A 434 7.795 -10.903 4.333 1.00 0.19 H new ATOM 0 HH2 TRP A 434 6.476 -12.967 4.202 1.00 0.19 H new ATOM 1491 N LYS A 435 9.498 -10.453 -1.262 1.00 0.17 N ATOM 1492 CA LYS A 435 10.672 -11.150 -0.798 1.00 0.19 C ATOM 1493 C LYS A 435 11.916 -10.775 -1.563 1.00 0.20 C ATOM 1494 O LYS A 435 13.032 -10.904 -1.062 1.00 0.22 O ATOM 1495 CB LYS A 435 10.434 -12.607 -0.941 1.00 0.20 C ATOM 1496 CG LYS A 435 9.371 -13.056 -0.018 1.00 0.22 C ATOM 1497 CD LYS A 435 9.254 -14.529 -0.055 1.00 0.26 C ATOM 1498 CE LYS A 435 8.067 -14.940 0.729 1.00 0.35 C ATOM 1499 NZ LYS A 435 8.336 -16.119 1.596 1.00 0.64 N1+ ATOM 0 H LYS A 435 8.774 -11.066 -1.636 1.00 0.17 H new ATOM 0 HA LYS A 435 10.840 -10.869 0.242 1.00 0.19 H new ATOM 0 HB2 LYS A 435 10.150 -12.835 -1.968 1.00 0.20 H new ATOM 0 HB3 LYS A 435 11.355 -13.153 -0.736 1.00 0.20 H new ATOM 0 HG2 LYS A 435 9.597 -12.727 0.996 1.00 0.22 H new ATOM 0 HG3 LYS A 435 8.421 -12.601 -0.297 1.00 0.22 H new ATOM 0 HD2 LYS A 435 9.162 -14.873 -1.085 1.00 0.26 H new ATOM 0 HD3 LYS A 435 10.153 -14.988 0.355 1.00 0.26 H new ATOM 0 HE2 LYS A 435 7.738 -14.105 1.348 1.00 0.35 H new ATOM 0 HE3 LYS A 435 7.249 -15.173 0.048 1.00 0.35 H new ATOM 0 HZ1 LYS A 435 7.474 -16.366 2.123 1.00 0.64 H new ATOM 0 HZ2 LYS A 435 8.624 -16.925 1.006 1.00 0.64 H new ATOM 0 HZ3 LYS A 435 9.098 -15.891 2.266 1.00 0.64 H new ATOM 1513 N THR A 436 11.723 -10.317 -2.769 1.00 0.19 N ATOM 1514 CA THR A 436 12.829 -9.994 -3.625 1.00 0.21 C ATOM 1515 C THR A 436 12.876 -8.493 -3.878 1.00 0.19 C ATOM 1516 O THR A 436 13.947 -7.880 -3.935 1.00 0.23 O ATOM 1517 CB THR A 436 12.701 -10.743 -4.964 1.00 0.22 C ATOM 1518 OG1 THR A 436 11.607 -10.219 -5.730 1.00 0.21 O ATOM 1519 CG2 THR A 436 12.460 -12.215 -4.701 1.00 0.25 C ATOM 0 H THR A 436 10.804 -10.159 -3.182 1.00 0.19 H new ATOM 0 HA THR A 436 13.751 -10.301 -3.132 1.00 0.21 H new ATOM 0 HB THR A 436 13.626 -10.611 -5.526 1.00 0.22 H new ATOM 0 HG1 THR A 436 10.859 -10.011 -5.132 1.00 0.21 H new ATOM 0 HG21 THR A 436 12.370 -12.744 -5.650 1.00 0.25 H new ATOM 0 HG22 THR A 436 13.296 -12.625 -4.135 1.00 0.25 H new ATOM 0 HG23 THR A 436 11.540 -12.337 -4.129 1.00 0.25 H new ATOM 1527 N ARG A 437 11.689 -7.909 -3.982 1.00 0.16 N ATOM 1528 CA ARG A 437 11.537 -6.546 -4.462 1.00 0.15 C ATOM 1529 C ARG A 437 11.668 -5.518 -3.354 1.00 0.17 C ATOM 1530 O ARG A 437 11.872 -4.335 -3.621 1.00 0.20 O ATOM 1531 CB ARG A 437 10.194 -6.438 -5.127 1.00 0.14 C ATOM 1532 CG ARG A 437 9.976 -7.498 -6.157 1.00 0.15 C ATOM 1533 CD ARG A 437 9.243 -6.966 -7.361 1.00 0.17 C ATOM 1534 NE ARG A 437 10.071 -6.026 -8.113 1.00 0.23 N ATOM 1535 CZ ARG A 437 10.526 -6.236 -9.350 1.00 0.30 C ATOM 1536 NH1 ARG A 437 10.287 -7.384 -9.975 1.00 0.34 N1+ ATOM 1537 NH2 ARG A 437 11.259 -5.307 -9.947 1.00 0.36 N ATOM 0 H ARG A 437 10.811 -8.366 -3.737 1.00 0.16 H new ATOM 0 HA ARG A 437 12.339 -6.331 -5.168 1.00 0.15 H new ATOM 0 HB2 ARG A 437 9.412 -6.505 -4.371 1.00 0.14 H new ATOM 0 HB3 ARG A 437 10.102 -5.458 -5.595 1.00 0.14 H new ATOM 0 HG2 ARG A 437 10.938 -7.906 -6.468 1.00 0.15 H new ATOM 0 HG3 ARG A 437 9.408 -8.319 -5.719 1.00 0.15 H new ATOM 0 HD2 ARG A 437 8.951 -7.794 -8.007 1.00 0.17 H new ATOM 0 HD3 ARG A 437 8.326 -6.471 -7.042 1.00 0.17 H new ATOM 0 HE ARG A 437 10.319 -5.146 -7.660 1.00 0.23 H new ATOM 0 HH11 ARG A 437 9.751 -8.116 -9.509 1.00 0.34 H new ATOM 0 HH12 ARG A 437 10.640 -7.533 -10.920 1.00 0.34 H new ATOM 0 HH21 ARG A 437 11.473 -4.436 -9.461 1.00 0.36 H new ATOM 0 HH22 ARG A 437 11.609 -5.463 -10.892 1.00 0.36 H new ATOM 1551 N GLY A 438 11.552 -5.962 -2.129 1.00 0.16 N ATOM 1552 CA GLY A 438 12.041 -5.153 -1.023 1.00 0.17 C ATOM 1553 C GLY A 438 11.196 -3.934 -0.642 1.00 0.17 C ATOM 1554 O GLY A 438 11.750 -2.856 -0.415 1.00 0.21 O ATOM 0 H GLY A 438 11.135 -6.855 -1.867 1.00 0.16 H new ATOM 0 HA2 GLY A 438 12.131 -5.793 -0.146 1.00 0.17 H new ATOM 0 HA3 GLY A 438 13.045 -4.808 -1.270 1.00 0.17 H new ATOM 1558 N SER A 439 9.878 -4.068 -0.576 1.00 0.15 N ATOM 1559 CA SER A 439 9.047 -2.983 -0.055 1.00 0.16 C ATOM 1560 C SER A 439 8.977 -3.124 1.468 1.00 0.14 C ATOM 1561 O SER A 439 8.708 -4.195 1.964 1.00 0.20 O ATOM 1562 CB SER A 439 7.645 -3.083 -0.653 1.00 0.22 C ATOM 1563 OG SER A 439 7.706 -3.186 -2.065 1.00 0.47 O ATOM 0 H SER A 439 9.366 -4.900 -0.870 1.00 0.15 H new ATOM 0 HA SER A 439 9.472 -2.015 -0.321 1.00 0.16 H new ATOM 0 HB2 SER A 439 7.131 -3.952 -0.242 1.00 0.22 H new ATOM 0 HB3 SER A 439 7.062 -2.206 -0.373 1.00 0.22 H new ATOM 0 HG SER A 439 6.810 -3.364 -2.419 1.00 0.47 H new ATOM 1569 N HIS A 440 9.220 -2.059 2.214 1.00 0.14 N ATOM 1570 CA HIS A 440 9.423 -2.180 3.662 1.00 0.16 C ATOM 1571 C HIS A 440 8.159 -1.820 4.419 1.00 0.16 C ATOM 1572 O HIS A 440 8.128 -0.847 5.173 1.00 0.21 O ATOM 1573 CB HIS A 440 10.567 -1.284 4.150 1.00 0.22 C ATOM 1574 CG HIS A 440 11.895 -1.577 3.550 1.00 0.26 C ATOM 1575 ND1 HIS A 440 12.215 -1.231 2.269 1.00 0.33 N ATOM 1576 CD2 HIS A 440 13.007 -2.146 4.078 1.00 0.30 C ATOM 1577 CE1 HIS A 440 13.454 -1.571 2.026 1.00 0.41 C ATOM 1578 NE2 HIS A 440 13.963 -2.130 3.102 1.00 0.38 N ATOM 0 H HIS A 440 9.283 -1.107 1.853 1.00 0.14 H new ATOM 0 HA HIS A 440 9.682 -3.221 3.857 1.00 0.16 H new ATOM 0 HB2 HIS A 440 10.311 -0.246 3.938 1.00 0.22 H new ATOM 0 HB3 HIS A 440 10.646 -1.379 5.233 1.00 0.22 H new ATOM 0 HD2 HIS A 440 13.116 -2.537 5.079 1.00 0.30 H new ATOM 0 HE1 HIS A 440 13.975 -1.418 1.093 1.00 0.41 H new ATOM 0 HE2 HIS A 440 14.913 -2.491 3.193 1.00 0.38 H new ATOM 1587 N GLY A 441 7.124 -2.618 4.216 1.00 0.15 N ATOM 1588 CA GLY A 441 5.862 -2.382 4.874 1.00 0.16 C ATOM 1589 C GLY A 441 4.944 -1.588 3.987 1.00 0.15 C ATOM 1590 O GLY A 441 3.752 -1.482 4.238 1.00 0.18 O ATOM 0 H GLY A 441 7.138 -3.432 3.601 1.00 0.15 H new ATOM 0 HA2 GLY A 441 5.396 -3.333 5.131 1.00 0.16 H new ATOM 0 HA3 GLY A 441 6.027 -1.846 5.808 1.00 0.16 H new ATOM 1594 N CYS A 442 5.514 -1.042 2.936 1.00 0.14 N ATOM 1595 CA CYS A 442 4.771 -0.230 2.000 1.00 0.16 C ATOM 1596 C CYS A 442 4.203 -1.087 0.879 1.00 0.18 C ATOM 1597 O CYS A 442 4.841 -2.042 0.431 1.00 0.28 O ATOM 1598 CB CYS A 442 5.672 0.864 1.449 1.00 0.20 C ATOM 1599 SG CYS A 442 7.241 0.254 0.781 1.00 0.83 S ATOM 0 H CYS A 442 6.502 -1.148 2.707 1.00 0.14 H new ATOM 0 HA CYS A 442 3.931 0.235 2.517 1.00 0.16 H new ATOM 0 HB2 CYS A 442 5.138 1.400 0.664 1.00 0.20 H new ATOM 0 HB3 CYS A 442 5.881 1.583 2.241 1.00 0.20 H new ATOM 0 HG CYS A 442 7.940 1.254 0.333 1.00 0.83 H new ATOM 1605 N ILE A 443 3.003 -0.757 0.438 1.00 0.13 N ATOM 1606 CA ILE A 443 2.333 -1.532 -0.581 1.00 0.12 C ATOM 1607 C ILE A 443 2.549 -0.940 -1.942 1.00 0.12 C ATOM 1608 O ILE A 443 2.221 0.212 -2.223 1.00 0.15 O ATOM 1609 CB ILE A 443 0.829 -1.692 -0.289 1.00 0.11 C ATOM 1610 CG1 ILE A 443 0.615 -2.725 0.830 1.00 0.10 C ATOM 1611 CG2 ILE A 443 0.091 -2.102 -1.562 1.00 0.10 C ATOM 1612 CD1 ILE A 443 1.360 -2.448 2.112 1.00 0.10 C ATOM 0 H ILE A 443 2.473 0.047 0.774 1.00 0.13 H new ATOM 0 HA ILE A 443 2.777 -2.528 -0.566 1.00 0.12 H new ATOM 0 HB ILE A 443 0.425 -0.737 0.048 1.00 0.11 H new ATOM 0 HG12 ILE A 443 -0.451 -2.780 1.053 1.00 0.10 H new ATOM 0 HG13 ILE A 443 0.914 -3.705 0.459 1.00 0.10 H new ATOM 0 HG21 ILE A 443 -0.972 -2.213 -1.347 1.00 0.10 H new ATOM 0 HG22 ILE A 443 0.229 -1.336 -2.325 1.00 0.10 H new ATOM 0 HG23 ILE A 443 0.489 -3.050 -1.924 1.00 0.10 H new ATOM 0 HD11 ILE A 443 1.142 -3.233 2.836 1.00 0.10 H new ATOM 0 HD12 ILE A 443 2.431 -2.425 1.913 1.00 0.10 H new ATOM 0 HD13 ILE A 443 1.045 -1.485 2.515 1.00 0.10 H new ATOM 1624 N ASN A 444 3.129 -1.766 -2.765 1.00 0.14 N ATOM 1625 CA ASN A 444 3.469 -1.422 -4.110 1.00 0.16 C ATOM 1626 C ASN A 444 2.260 -1.482 -5.036 1.00 0.11 C ATOM 1627 O ASN A 444 2.067 -2.477 -5.730 1.00 0.12 O ATOM 1628 CB ASN A 444 4.526 -2.393 -4.587 1.00 0.30 C ATOM 1629 CG ASN A 444 5.924 -1.822 -4.640 1.00 0.88 C ATOM 1630 OD1 ASN A 444 6.701 -2.166 -5.518 1.00 1.56 O ATOM 1631 ND2 ASN A 444 6.272 -0.986 -3.676 1.00 1.77 N ATOM 0 H ASN A 444 3.384 -2.720 -2.510 1.00 0.14 H new ATOM 0 HA ASN A 444 3.839 -0.397 -4.130 1.00 0.16 H new ATOM 0 HB2 ASN A 444 4.527 -3.262 -3.929 1.00 0.30 H new ATOM 0 HB3 ASN A 444 4.254 -2.747 -5.581 1.00 0.30 H new ATOM 0 HD21 ASN A 444 7.218 -0.605 -3.648 1.00 1.77 H new ATOM 0 HD22 ASN A 444 5.595 -0.722 -2.960 1.00 1.77 H new ATOM 1638 N THR A 445 1.459 -0.435 -5.062 1.00 0.11 N ATOM 1639 CA THR A 445 0.336 -0.370 -5.967 1.00 0.10 C ATOM 1640 C THR A 445 0.790 0.197 -7.297 1.00 0.11 C ATOM 1641 O THR A 445 1.613 1.106 -7.357 1.00 0.14 O ATOM 1642 CB THR A 445 -0.779 0.491 -5.354 1.00 0.11 C ATOM 1643 OG1 THR A 445 -1.012 0.070 -4.005 1.00 0.18 O ATOM 1644 CG2 THR A 445 -2.054 0.371 -6.157 1.00 0.14 C ATOM 0 H THR A 445 1.568 0.383 -4.463 1.00 0.11 H new ATOM 0 HA THR A 445 -0.060 -1.372 -6.134 1.00 0.10 H new ATOM 0 HB THR A 445 -0.466 1.535 -5.367 1.00 0.11 H new ATOM 0 HG1 THR A 445 -1.906 0.356 -3.723 1.00 0.18 H new ATOM 0 HG21 THR A 445 -2.829 0.989 -5.704 1.00 0.14 H new ATOM 0 HG22 THR A 445 -1.874 0.706 -7.178 1.00 0.14 H new ATOM 0 HG23 THR A 445 -2.380 -0.669 -6.169 1.00 0.14 H new ATOM 1652 N PRO A 446 0.311 -0.397 -8.383 1.00 0.09 N ATOM 1653 CA PRO A 446 0.617 0.058 -9.724 1.00 0.08 C ATOM 1654 C PRO A 446 0.218 1.498 -9.926 1.00 0.09 C ATOM 1655 O PRO A 446 -0.869 1.897 -9.544 1.00 0.12 O ATOM 1656 CB PRO A 446 -0.220 -0.839 -10.606 1.00 0.09 C ATOM 1657 CG PRO A 446 -0.439 -2.054 -9.787 1.00 0.10 C ATOM 1658 CD PRO A 446 -0.551 -1.575 -8.389 1.00 0.09 C ATOM 0 HA PRO A 446 1.684 0.009 -9.940 1.00 0.08 H new ATOM 0 HB2 PRO A 446 -1.164 -0.365 -10.875 1.00 0.09 H new ATOM 0 HB3 PRO A 446 0.295 -1.074 -11.537 1.00 0.09 H new ATOM 0 HG2 PRO A 446 -1.344 -2.578 -10.096 1.00 0.10 H new ATOM 0 HG3 PRO A 446 0.388 -2.755 -9.896 1.00 0.10 H new ATOM 0 HD2 PRO A 446 -1.579 -1.325 -8.128 1.00 0.09 H new ATOM 0 HD3 PRO A 446 -0.214 -2.327 -7.675 1.00 0.09 H new ATOM 1666 N PRO A 447 1.084 2.278 -10.559 1.00 0.09 N ATOM 1667 CA PRO A 447 0.929 3.732 -10.713 1.00 0.09 C ATOM 1668 C PRO A 447 -0.377 4.123 -11.346 1.00 0.09 C ATOM 1669 O PRO A 447 -0.967 5.156 -11.027 1.00 0.16 O ATOM 1670 CB PRO A 447 2.086 4.057 -11.639 1.00 0.10 C ATOM 1671 CG PRO A 447 3.096 3.092 -11.184 1.00 0.10 C ATOM 1672 CD PRO A 447 2.316 1.823 -11.206 1.00 0.09 C ATOM 0 HA PRO A 447 0.930 4.261 -9.760 1.00 0.09 H new ATOM 0 HB2 PRO A 447 1.826 3.916 -12.688 1.00 0.10 H new ATOM 0 HB3 PRO A 447 2.423 5.088 -11.530 1.00 0.10 H new ATOM 0 HG2 PRO A 447 3.959 3.056 -11.849 1.00 0.10 H new ATOM 0 HG3 PRO A 447 3.470 3.327 -10.188 1.00 0.10 H new ATOM 0 HD2 PRO A 447 2.145 1.455 -12.218 1.00 0.09 H new ATOM 0 HD3 PRO A 447 2.807 1.021 -10.654 1.00 0.09 H new ATOM 1680 N SER A 448 -0.837 3.274 -12.228 1.00 0.08 N ATOM 1681 CA SER A 448 -2.047 3.544 -12.943 1.00 0.09 C ATOM 1682 C SER A 448 -3.232 3.175 -12.078 1.00 0.09 C ATOM 1683 O SER A 448 -4.242 3.875 -12.051 1.00 0.11 O ATOM 1684 CB SER A 448 -2.112 2.755 -14.236 1.00 0.11 C ATOM 1685 OG SER A 448 -3.027 3.336 -15.150 1.00 1.17 O ATOM 0 H SER A 448 -0.388 2.390 -12.465 1.00 0.08 H new ATOM 0 HA SER A 448 -2.068 4.606 -13.187 1.00 0.09 H new ATOM 0 HB2 SER A 448 -1.121 2.712 -14.688 1.00 0.11 H new ATOM 0 HB3 SER A 448 -2.410 1.728 -14.023 1.00 0.11 H new ATOM 0 HG SER A 448 -3.046 2.807 -15.975 1.00 1.17 H new ATOM 1691 N VAL A 449 -3.094 2.085 -11.349 1.00 0.08 N ATOM 1692 CA VAL A 449 -4.184 1.589 -10.539 1.00 0.09 C ATOM 1693 C VAL A 449 -4.249 2.318 -9.198 1.00 0.10 C ATOM 1694 O VAL A 449 -5.310 2.461 -8.597 1.00 0.11 O ATOM 1695 CB VAL A 449 -4.057 0.083 -10.331 1.00 0.11 C ATOM 1696 CG1 VAL A 449 -5.289 -0.452 -9.618 1.00 0.17 C ATOM 1697 CG2 VAL A 449 -3.859 -0.620 -11.663 1.00 0.10 C ATOM 0 H VAL A 449 -2.240 1.529 -11.302 1.00 0.08 H new ATOM 0 HA VAL A 449 -5.115 1.785 -11.071 1.00 0.09 H new ATOM 0 HB VAL A 449 -3.184 -0.114 -9.708 1.00 0.11 H new ATOM 0 HG11 VAL A 449 -5.188 -1.528 -9.475 1.00 0.17 H new ATOM 0 HG12 VAL A 449 -5.389 0.036 -8.648 1.00 0.17 H new ATOM 0 HG13 VAL A 449 -6.175 -0.248 -10.219 1.00 0.17 H new ATOM 0 HG21 VAL A 449 -3.770 -1.694 -11.498 1.00 0.10 H new ATOM 0 HG22 VAL A 449 -4.714 -0.422 -12.310 1.00 0.10 H new ATOM 0 HG23 VAL A 449 -2.951 -0.250 -12.138 1.00 0.10 H new ATOM 1707 N MET A 450 -3.114 2.812 -8.750 1.00 0.10 N ATOM 1708 CA MET A 450 -3.035 3.603 -7.552 1.00 0.11 C ATOM 1709 C MET A 450 -3.719 4.944 -7.766 1.00 0.10 C ATOM 1710 O MET A 450 -4.084 5.632 -6.837 1.00 0.14 O ATOM 1711 CB MET A 450 -1.572 3.773 -7.234 1.00 0.13 C ATOM 1712 CG MET A 450 -1.336 4.513 -5.974 1.00 0.13 C ATOM 1713 SD MET A 450 -2.406 3.976 -4.654 1.00 0.46 S ATOM 1714 CE MET A 450 -2.448 5.501 -3.746 1.00 0.10 C ATOM 0 H MET A 450 -2.217 2.672 -9.214 1.00 0.10 H new ATOM 0 HA MET A 450 -3.544 3.118 -6.719 1.00 0.11 H new ATOM 0 HB2 MET A 450 -1.104 2.791 -7.165 1.00 0.13 H new ATOM 0 HB3 MET A 450 -1.086 4.300 -8.055 1.00 0.13 H new ATOM 0 HG2 MET A 450 -0.297 4.384 -5.670 1.00 0.13 H new ATOM 0 HG3 MET A 450 -1.487 5.578 -6.149 1.00 0.13 H new ATOM 0 HE1 MET A 450 -3.388 5.573 -3.199 1.00 0.10 H new ATOM 0 HE2 MET A 450 -1.616 5.529 -3.042 1.00 0.10 H new ATOM 0 HE3 MET A 450 -2.366 6.339 -4.438 1.00 0.10 H new ATOM 1724 N LYS A 451 -3.864 5.291 -9.030 1.00 0.11 N ATOM 1725 CA LYS A 451 -4.546 6.490 -9.469 1.00 0.11 C ATOM 1726 C LYS A 451 -6.035 6.312 -9.421 1.00 0.10 C ATOM 1727 O LYS A 451 -6.808 7.263 -9.383 1.00 0.14 O ATOM 1728 CB LYS A 451 -4.122 6.710 -10.883 1.00 0.14 C ATOM 1729 CG LYS A 451 -4.353 8.104 -11.351 1.00 0.22 C ATOM 1730 CD LYS A 451 -3.376 8.499 -12.415 1.00 0.68 C ATOM 1731 CE LYS A 451 -3.099 7.333 -13.301 1.00 0.63 C ATOM 1732 NZ LYS A 451 -2.971 7.709 -14.733 1.00 0.81 N1+ ATOM 0 H LYS A 451 -3.500 4.730 -9.800 1.00 0.11 H new ATOM 0 HA LYS A 451 -4.296 7.332 -8.824 1.00 0.11 H new ATOM 0 HB2 LYS A 451 -3.063 6.471 -10.980 1.00 0.14 H new ATOM 0 HB3 LYS A 451 -4.665 6.021 -11.530 1.00 0.14 H new ATOM 0 HG2 LYS A 451 -5.368 8.195 -11.737 1.00 0.22 H new ATOM 0 HG3 LYS A 451 -4.270 8.790 -10.508 1.00 0.22 H new ATOM 0 HD2 LYS A 451 -3.777 9.326 -13.001 1.00 0.68 H new ATOM 0 HD3 LYS A 451 -2.450 8.850 -11.960 1.00 0.68 H new ATOM 0 HE2 LYS A 451 -2.180 6.847 -12.975 1.00 0.63 H new ATOM 0 HE3 LYS A 451 -3.901 6.603 -13.193 1.00 0.63 H new ATOM 0 HZ1 LYS A 451 -2.779 6.858 -15.299 1.00 0.81 H new ATOM 0 HZ2 LYS A 451 -3.856 8.148 -15.057 1.00 0.81 H new ATOM 0 HZ3 LYS A 451 -2.188 8.384 -14.846 1.00 0.81 H new ATOM 1746 N GLU A 452 -6.399 5.060 -9.478 1.00 0.09 N ATOM 1747 CA GLU A 452 -7.761 4.627 -9.418 1.00 0.08 C ATOM 1748 C GLU A 452 -8.161 4.617 -7.996 1.00 0.07 C ATOM 1749 O GLU A 452 -9.233 5.059 -7.614 1.00 0.08 O ATOM 1750 CB GLU A 452 -7.829 3.224 -9.964 1.00 0.08 C ATOM 1751 CG GLU A 452 -7.153 3.072 -11.294 1.00 0.09 C ATOM 1752 CD GLU A 452 -7.994 3.533 -12.464 1.00 0.13 C ATOM 1753 OE1 GLU A 452 -8.132 4.758 -12.650 1.00 0.31 O1- ATOM 1754 OE2 GLU A 452 -8.532 2.675 -13.195 1.00 0.38 O ATOM 0 H GLU A 452 -5.733 4.293 -9.570 1.00 0.09 H new ATOM 0 HA GLU A 452 -8.416 5.281 -9.993 1.00 0.08 H new ATOM 0 HB2 GLU A 452 -7.369 2.541 -9.250 1.00 0.08 H new ATOM 0 HB3 GLU A 452 -8.874 2.929 -10.059 1.00 0.08 H new ATOM 0 HG2 GLU A 452 -6.221 3.637 -11.284 1.00 0.09 H new ATOM 0 HG3 GLU A 452 -6.889 2.024 -11.439 1.00 0.09 H new ATOM 1761 N LEU A 453 -7.259 4.053 -7.241 1.00 0.06 N ATOM 1762 CA LEU A 453 -7.341 4.004 -5.839 1.00 0.05 C ATOM 1763 C LEU A 453 -7.263 5.362 -5.218 1.00 0.05 C ATOM 1764 O LEU A 453 -8.198 5.808 -4.610 1.00 0.05 O ATOM 1765 CB LEU A 453 -6.189 3.243 -5.299 1.00 0.05 C ATOM 1766 CG LEU A 453 -6.321 2.914 -3.852 1.00 0.05 C ATOM 1767 CD1 LEU A 453 -7.484 1.988 -3.660 1.00 0.06 C ATOM 1768 CD2 LEU A 453 -5.040 2.319 -3.340 1.00 0.06 C ATOM 0 H LEU A 453 -6.423 3.604 -7.616 1.00 0.06 H new ATOM 0 HA LEU A 453 -8.299 3.540 -5.604 1.00 0.05 H new ATOM 0 HB2 LEU A 453 -6.077 2.318 -5.865 1.00 0.05 H new ATOM 0 HB3 LEU A 453 -5.278 3.822 -5.450 1.00 0.05 H new ATOM 0 HG LEU A 453 -6.510 3.821 -3.277 1.00 0.05 H new ATOM 0 HD11 LEU A 453 -7.584 1.744 -2.602 1.00 0.06 H new ATOM 0 HD12 LEU A 453 -8.396 2.472 -4.009 1.00 0.06 H new ATOM 0 HD13 LEU A 453 -7.318 1.073 -4.229 1.00 0.06 H new ATOM 0 HD21 LEU A 453 -5.146 2.082 -2.281 1.00 0.06 H new ATOM 0 HD22 LEU A 453 -4.814 1.408 -3.895 1.00 0.06 H new ATOM 0 HD23 LEU A 453 -4.228 3.034 -3.472 1.00 0.06 H new ATOM 1780 N PHE A 454 -6.117 6.007 -5.329 1.00 0.07 N ATOM 1781 CA PHE A 454 -5.972 7.350 -4.811 1.00 0.08 C ATOM 1782 C PHE A 454 -7.134 8.183 -5.334 1.00 0.09 C ATOM 1783 O PHE A 454 -7.595 9.146 -4.723 1.00 0.10 O ATOM 1784 CB PHE A 454 -4.651 7.978 -5.250 1.00 0.13 C ATOM 1785 CG PHE A 454 -4.241 9.154 -4.411 1.00 0.17 C ATOM 1786 CD1 PHE A 454 -3.493 8.965 -3.264 1.00 0.19 C ATOM 1787 CD2 PHE A 454 -4.604 10.441 -4.764 1.00 0.25 C ATOM 1788 CE1 PHE A 454 -3.113 10.036 -2.482 1.00 0.25 C ATOM 1789 CE2 PHE A 454 -4.227 11.517 -3.987 1.00 0.31 C ATOM 1790 CZ PHE A 454 -3.481 11.313 -2.846 1.00 0.29 C ATOM 0 H PHE A 454 -5.280 5.625 -5.770 1.00 0.07 H new ATOM 0 HA PHE A 454 -5.974 7.317 -3.722 1.00 0.08 H new ATOM 0 HB2 PHE A 454 -3.867 7.222 -5.210 1.00 0.13 H new ATOM 0 HB3 PHE A 454 -4.736 8.295 -6.290 1.00 0.13 H new ATOM 0 HD1 PHE A 454 -3.202 7.965 -2.976 1.00 0.19 H new ATOM 0 HD2 PHE A 454 -5.189 10.605 -5.657 1.00 0.25 H new ATOM 0 HE1 PHE A 454 -2.529 9.874 -1.588 1.00 0.25 H new ATOM 0 HE2 PHE A 454 -4.516 12.518 -4.272 1.00 0.31 H new ATOM 0 HZ PHE A 454 -3.185 12.154 -2.237 1.00 0.29 H new ATOM 1800 N GLY A 455 -7.595 7.738 -6.500 1.00 0.09 N ATOM 1801 CA GLY A 455 -8.703 8.338 -7.175 1.00 0.11 C ATOM 1802 C GLY A 455 -10.030 8.100 -6.448 1.00 0.10 C ATOM 1803 O GLY A 455 -10.942 8.916 -6.546 1.00 0.13 O ATOM 0 H GLY A 455 -7.194 6.941 -6.994 1.00 0.09 H new ATOM 0 HA2 GLY A 455 -8.530 9.410 -7.268 1.00 0.11 H new ATOM 0 HA3 GLY A 455 -8.769 7.937 -8.186 1.00 0.11 H new ATOM 1807 N MET A 456 -10.147 6.963 -5.739 1.00 0.08 N ATOM 1808 CA MET A 456 -11.295 6.699 -4.868 1.00 0.09 C ATOM 1809 C MET A 456 -11.054 7.204 -3.457 1.00 0.10 C ATOM 1810 O MET A 456 -11.888 7.885 -2.866 1.00 0.13 O ATOM 1811 CB MET A 456 -11.593 5.197 -4.776 1.00 0.08 C ATOM 1812 CG MET A 456 -10.427 4.301 -5.036 1.00 0.06 C ATOM 1813 SD MET A 456 -10.892 2.642 -5.525 1.00 0.06 S ATOM 1814 CE MET A 456 -11.568 2.970 -7.125 1.00 0.07 C ATOM 0 H MET A 456 -9.456 6.213 -5.756 1.00 0.08 H new ATOM 0 HA MET A 456 -12.139 7.225 -5.314 1.00 0.09 H new ATOM 0 HB2 MET A 456 -11.983 4.980 -3.781 1.00 0.08 H new ATOM 0 HB3 MET A 456 -12.383 4.955 -5.487 1.00 0.08 H new ATOM 0 HG2 MET A 456 -9.809 4.741 -5.818 1.00 0.06 H new ATOM 0 HG3 MET A 456 -9.813 4.247 -4.137 1.00 0.06 H new ATOM 0 HE1 MET A 456 -11.876 2.033 -7.589 1.00 0.07 H new ATOM 0 HE2 MET A 456 -12.432 3.628 -7.027 1.00 0.07 H new ATOM 0 HE3 MET A 456 -10.814 3.452 -7.747 1.00 0.07 H new ATOM 1824 N VAL A 457 -9.896 6.858 -2.937 1.00 0.08 N ATOM 1825 CA VAL A 457 -9.598 7.005 -1.533 1.00 0.10 C ATOM 1826 C VAL A 457 -8.737 8.187 -1.209 1.00 0.17 C ATOM 1827 O VAL A 457 -7.761 8.516 -1.879 1.00 0.23 O ATOM 1828 CB VAL A 457 -8.984 5.718 -0.961 1.00 0.06 C ATOM 1829 CG1 VAL A 457 -8.076 5.058 -1.973 1.00 0.06 C ATOM 1830 CG2 VAL A 457 -8.253 5.975 0.348 1.00 0.10 C ATOM 0 H VAL A 457 -9.130 6.464 -3.483 1.00 0.08 H new ATOM 0 HA VAL A 457 -10.558 7.193 -1.052 1.00 0.10 H new ATOM 0 HB VAL A 457 -9.803 5.033 -0.743 1.00 0.06 H new ATOM 0 HG11 VAL A 457 -7.653 4.149 -1.545 1.00 0.06 H new ATOM 0 HG12 VAL A 457 -8.648 4.806 -2.866 1.00 0.06 H new ATOM 0 HG13 VAL A 457 -7.270 5.742 -2.240 1.00 0.06 H new ATOM 0 HG21 VAL A 457 -7.833 5.040 0.720 1.00 0.10 H new ATOM 0 HG22 VAL A 457 -7.450 6.693 0.181 1.00 0.10 H new ATOM 0 HG23 VAL A 457 -8.952 6.376 1.082 1.00 0.10 H new ATOM 1840 N GLU A 458 -9.156 8.783 -0.132 1.00 0.18 N ATOM 1841 CA GLU A 458 -8.581 9.929 0.444 1.00 0.26 C ATOM 1842 C GLU A 458 -8.526 9.692 1.915 1.00 0.15 C ATOM 1843 O GLU A 458 -8.900 8.607 2.366 1.00 0.08 O ATOM 1844 CB GLU A 458 -9.425 11.136 0.130 1.00 0.42 C ATOM 1845 CG GLU A 458 -10.883 10.881 0.351 1.00 0.46 C ATOM 1846 CD GLU A 458 -11.730 12.113 0.132 1.00 0.66 C ATOM 1847 OE1 GLU A 458 -11.938 12.871 1.102 1.00 0.83 O ATOM 1848 OE2 GLU A 458 -12.178 12.339 -1.012 1.00 0.82 O1- ATOM 0 H GLU A 458 -9.964 8.446 0.391 1.00 0.18 H new ATOM 0 HA GLU A 458 -7.582 10.114 0.049 1.00 0.26 H new ATOM 0 HB2 GLU A 458 -9.106 11.972 0.753 1.00 0.42 H new ATOM 0 HB3 GLU A 458 -9.263 11.431 -0.907 1.00 0.42 H new ATOM 0 HG2 GLU A 458 -11.216 10.092 -0.323 1.00 0.46 H new ATOM 0 HG3 GLU A 458 -11.034 10.517 1.367 1.00 0.46 H new ATOM 1855 N LYS A 459 -8.043 10.652 2.667 1.00 0.19 N ATOM 1856 CA LYS A 459 -8.019 10.496 4.071 1.00 0.13 C ATOM 1857 C LYS A 459 -9.344 10.115 4.639 1.00 0.14 C ATOM 1858 O LYS A 459 -10.407 10.271 4.033 1.00 0.21 O ATOM 1859 CB LYS A 459 -7.505 11.717 4.755 1.00 0.14 C ATOM 1860 CG LYS A 459 -6.044 11.818 4.685 1.00 0.15 C ATOM 1861 CD LYS A 459 -5.624 12.956 5.514 1.00 0.15 C ATOM 1862 CE LYS A 459 -5.689 14.216 4.731 1.00 0.20 C ATOM 1863 NZ LYS A 459 -5.009 15.351 5.410 1.00 0.24 N1+ ATOM 0 H LYS A 459 -7.669 11.535 2.319 1.00 0.19 H new ATOM 0 HA LYS A 459 -7.332 9.671 4.260 1.00 0.13 H new ATOM 0 HB2 LYS A 459 -7.951 12.601 4.300 1.00 0.14 H new ATOM 0 HB3 LYS A 459 -7.817 11.705 5.799 1.00 0.14 H new ATOM 0 HG2 LYS A 459 -5.582 10.897 5.040 1.00 0.15 H new ATOM 0 HG3 LYS A 459 -5.721 11.959 3.653 1.00 0.15 H new ATOM 0 HD2 LYS A 459 -6.266 13.032 6.392 1.00 0.15 H new ATOM 0 HD3 LYS A 459 -4.608 12.796 5.875 1.00 0.15 H new ATOM 0 HE2 LYS A 459 -5.232 14.056 3.755 1.00 0.20 H new ATOM 0 HE3 LYS A 459 -6.733 14.476 4.555 1.00 0.20 H new ATOM 0 HZ1 LYS A 459 -5.085 16.204 4.820 1.00 0.24 H new ATOM 0 HZ2 LYS A 459 -5.460 15.525 6.331 1.00 0.24 H new ATOM 0 HZ3 LYS A 459 -4.006 15.118 5.555 1.00 0.24 H new ATOM 1877 N GLY A 460 -9.249 9.633 5.837 1.00 0.13 N ATOM 1878 CA GLY A 460 -10.412 9.186 6.526 1.00 0.19 C ATOM 1879 C GLY A 460 -10.678 7.720 6.306 1.00 0.19 C ATOM 1880 O GLY A 460 -11.138 7.019 7.214 1.00 0.37 O ATOM 0 H GLY A 460 -8.376 9.540 6.357 1.00 0.13 H new ATOM 0 HA2 GLY A 460 -10.295 9.376 7.593 1.00 0.19 H new ATOM 0 HA3 GLY A 460 -11.274 9.764 6.192 1.00 0.19 H new ATOM 1884 N THR A 461 -10.360 7.258 5.104 1.00 0.12 N ATOM 1885 CA THR A 461 -10.621 5.907 4.701 1.00 0.10 C ATOM 1886 C THR A 461 -9.607 4.983 5.344 1.00 0.09 C ATOM 1887 O THR A 461 -8.440 5.338 5.507 1.00 0.12 O ATOM 1888 CB THR A 461 -10.558 5.807 3.160 1.00 0.11 C ATOM 1889 OG1 THR A 461 -11.729 6.404 2.592 1.00 0.15 O ATOM 1890 CG2 THR A 461 -10.414 4.364 2.661 1.00 0.08 C ATOM 0 H THR A 461 -9.911 7.825 4.385 1.00 0.12 H new ATOM 0 HA THR A 461 -11.617 5.608 5.027 1.00 0.10 H new ATOM 0 HB THR A 461 -9.665 6.343 2.839 1.00 0.11 H new ATOM 0 HG1 THR A 461 -11.687 6.341 1.615 1.00 0.15 H new ATOM 0 HG21 THR A 461 -10.375 4.358 1.572 1.00 0.08 H new ATOM 0 HG22 THR A 461 -9.496 3.931 3.059 1.00 0.08 H new ATOM 0 HG23 THR A 461 -11.268 3.776 2.997 1.00 0.08 H new ATOM 1898 N PRO A 462 -10.039 3.810 5.767 1.00 0.08 N ATOM 1899 CA PRO A 462 -9.151 2.811 6.261 1.00 0.10 C ATOM 1900 C PRO A 462 -8.416 2.148 5.149 1.00 0.09 C ATOM 1901 O PRO A 462 -8.770 2.261 3.984 1.00 0.10 O ATOM 1902 CB PRO A 462 -10.042 1.775 6.922 1.00 0.12 C ATOM 1903 CG PRO A 462 -11.402 2.310 6.844 1.00 0.09 C ATOM 1904 CD PRO A 462 -11.411 3.351 5.786 1.00 0.07 C ATOM 0 HA PRO A 462 -8.416 3.249 6.936 1.00 0.10 H new ATOM 0 HB2 PRO A 462 -9.970 0.815 6.412 1.00 0.12 H new ATOM 0 HB3 PRO A 462 -9.746 1.609 7.958 1.00 0.12 H new ATOM 0 HG2 PRO A 462 -12.113 1.518 6.609 1.00 0.09 H new ATOM 0 HG3 PRO A 462 -11.703 2.734 7.802 1.00 0.09 H new ATOM 0 HD2 PRO A 462 -11.713 2.943 4.821 1.00 0.07 H new ATOM 0 HD3 PRO A 462 -12.103 4.159 6.021 1.00 0.07 H new ATOM 1912 N VAL A 463 -7.415 1.441 5.520 1.00 0.09 N ATOM 1913 CA VAL A 463 -6.785 0.529 4.620 1.00 0.14 C ATOM 1914 C VAL A 463 -6.568 -0.756 5.355 1.00 0.12 C ATOM 1915 O VAL A 463 -6.523 -0.793 6.584 1.00 0.22 O ATOM 1916 CB VAL A 463 -5.461 1.034 3.996 1.00 0.27 C ATOM 1917 CG1 VAL A 463 -5.473 2.531 3.808 1.00 1.07 C ATOM 1918 CG2 VAL A 463 -4.257 0.607 4.773 1.00 1.09 C ATOM 0 H VAL A 463 -7.004 1.472 6.453 1.00 0.09 H new ATOM 0 HA VAL A 463 -7.450 0.403 3.765 1.00 0.14 H new ATOM 0 HB VAL A 463 -5.390 0.566 3.014 1.00 0.27 H new ATOM 0 HG11 VAL A 463 -4.528 2.850 3.368 1.00 1.07 H new ATOM 0 HG12 VAL A 463 -6.293 2.808 3.146 1.00 1.07 H new ATOM 0 HG13 VAL A 463 -5.606 3.018 4.774 1.00 1.07 H new ATOM 0 HG21 VAL A 463 -3.358 0.989 4.290 1.00 1.09 H new ATOM 0 HG22 VAL A 463 -4.320 1.002 5.787 1.00 1.09 H new ATOM 0 HG23 VAL A 463 -4.215 -0.482 4.809 1.00 1.09 H new ATOM 1928 N LEU A 464 -6.527 -1.802 4.619 1.00 0.07 N ATOM 1929 CA LEU A 464 -6.316 -3.090 5.182 1.00 0.06 C ATOM 1930 C LEU A 464 -5.134 -3.731 4.561 1.00 0.06 C ATOM 1931 O LEU A 464 -4.832 -3.499 3.407 1.00 0.06 O ATOM 1932 CB LEU A 464 -7.511 -3.930 4.888 1.00 0.06 C ATOM 1933 CG LEU A 464 -8.048 -4.716 6.044 1.00 0.08 C ATOM 1934 CD1 LEU A 464 -8.457 -3.775 7.156 1.00 0.12 C ATOM 1935 CD2 LEU A 464 -9.205 -5.539 5.564 1.00 0.13 C ATOM 0 H LEU A 464 -6.639 -1.794 3.605 1.00 0.07 H new ATOM 0 HA LEU A 464 -6.154 -2.994 6.256 1.00 0.06 H new ATOM 0 HB2 LEU A 464 -8.304 -3.284 4.511 1.00 0.06 H new ATOM 0 HB3 LEU A 464 -7.257 -4.624 4.086 1.00 0.06 H new ATOM 0 HG LEU A 464 -7.284 -5.384 6.443 1.00 0.08 H new ATOM 0 HD11 LEU A 464 -8.847 -4.351 7.995 1.00 0.12 H new ATOM 0 HD12 LEU A 464 -7.591 -3.199 7.483 1.00 0.12 H new ATOM 0 HD13 LEU A 464 -9.228 -3.096 6.793 1.00 0.12 H new ATOM 0 HD21 LEU A 464 -9.609 -6.118 6.394 1.00 0.13 H new ATOM 0 HD22 LEU A 464 -9.980 -4.882 5.169 1.00 0.13 H new ATOM 0 HD23 LEU A 464 -8.869 -6.216 4.779 1.00 0.13 H new ATOM 1947 N VAL A 465 -4.444 -4.472 5.366 1.00 0.06 N ATOM 1948 CA VAL A 465 -3.475 -5.409 4.912 1.00 0.06 C ATOM 1949 C VAL A 465 -3.569 -6.606 5.839 1.00 0.08 C ATOM 1950 O VAL A 465 -3.900 -6.437 7.016 1.00 0.09 O ATOM 1951 CB VAL A 465 -2.040 -4.830 4.850 1.00 0.06 C ATOM 1952 CG1 VAL A 465 -2.014 -3.346 4.481 1.00 0.07 C ATOM 1953 CG2 VAL A 465 -1.276 -5.077 6.095 1.00 0.07 C ATOM 0 H VAL A 465 -4.543 -4.440 6.381 1.00 0.06 H new ATOM 0 HA VAL A 465 -3.687 -5.691 3.881 1.00 0.06 H new ATOM 0 HB VAL A 465 -1.544 -5.371 4.045 1.00 0.06 H new ATOM 0 HG11 VAL A 465 -0.982 -2.996 4.453 1.00 0.07 H new ATOM 0 HG12 VAL A 465 -2.471 -3.207 3.501 1.00 0.07 H new ATOM 0 HG13 VAL A 465 -2.570 -2.776 5.225 1.00 0.07 H new ATOM 0 HG21 VAL A 465 -0.277 -4.651 5.999 1.00 0.07 H new ATOM 0 HG22 VAL A 465 -1.790 -4.611 6.936 1.00 0.07 H new ATOM 0 HG23 VAL A 465 -1.198 -6.150 6.267 1.00 0.07 H new ATOM 1963 N PHE A 466 -3.345 -7.800 5.318 1.00 0.11 N ATOM 1964 CA PHE A 466 -3.516 -9.015 6.103 1.00 0.14 C ATOM 1965 C PHE A 466 -2.803 -10.194 5.461 1.00 0.19 C ATOM 1966 O PHE A 466 -2.701 -10.226 4.217 1.00 1.16 O ATOM 1967 CB PHE A 466 -5.000 -9.331 6.289 1.00 0.13 C ATOM 1968 CG PHE A 466 -5.787 -9.347 5.014 1.00 0.12 C ATOM 1969 CD1 PHE A 466 -5.714 -10.413 4.128 1.00 0.14 C ATOM 1970 CD2 PHE A 466 -6.600 -8.284 4.703 1.00 0.14 C ATOM 1971 CE1 PHE A 466 -6.442 -10.403 2.953 1.00 0.18 C ATOM 1972 CE2 PHE A 466 -7.327 -8.275 3.541 1.00 0.17 C ATOM 1973 CZ PHE A 466 -7.254 -9.326 2.663 1.00 0.19 C ATOM 1974 OXT PHE A 466 -2.326 -11.075 6.208 1.00 1.08 O ATOM 0 H PHE A 466 -3.045 -7.956 4.356 1.00 0.11 H new ATOM 0 HA PHE A 466 -3.068 -8.842 7.082 1.00 0.14 H new ATOM 0 HB2 PHE A 466 -5.095 -10.302 6.774 1.00 0.13 H new ATOM 0 HB3 PHE A 466 -5.436 -8.594 6.963 1.00 0.13 H new ATOM 0 HD1 PHE A 466 -5.082 -11.258 4.359 1.00 0.14 H new ATOM 0 HD2 PHE A 466 -6.667 -7.446 5.381 1.00 0.14 H new ATOM 0 HE1 PHE A 466 -6.376 -11.234 2.266 1.00 0.18 H new ATOM 0 HE2 PHE A 466 -7.963 -7.432 3.315 1.00 0.17 H new ATOM 0 HZ PHE A 466 -7.829 -9.311 1.749 1.00 0.19 H new TER 1984 PHE A 466