USER MOD reduce.3.24.130724 H: found=0, std=0, add=978, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 980 hydrogens (25 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 NoAdj-H: A 130 1RGHOAU : A 130 1RG OAU : A 130 1RG CAM :(short bond) USER MOD NoAdj-H: A 130 1RG HAA : A 130 1RG CAA : A 442 CYS SG :(H bumps) USER MOD Set 1.1: A 411 MET CE :methyl -101:sc= -3.2! (180deg=-4.78!) USER MOD Set 1.2: A 450 MET CE :methyl -167:sc= -5! (180deg=-6.16!) USER MOD Set 2.1: A 423 SER OG : rot 93:sc= -1.53! USER MOD Set 2.2: A 429 TYR OH : rot 19:sc= -0.631 USER MOD Set 3.1: A 421 HIS : no HE2:sc= -3.9! C(o=-6.2!,f=-5.6!) USER MOD Set 3.2: A 444 ASN : amide:sc= -2.29 K(o=-6.2,f=-4.1) USER MOD Set 4.1: A 130 1RG OAG : rot -70:sc= 0.00276 USER MOD Set 4.2: A 403 TYR OH : rot 80:sc= -2.13 USER MOD Set 5.1: A 397 ASN : amide:sc= 0.727 K(o=-0.75,f=-1.4) USER MOD Set 5.2: A 401 THR OG1 : rot -108:sc= -0.0147 USER MOD Set 5.3: A 440 HIS : no HE2:sc= -1.46 K(o=-0.75,f=-1.6!) USER MOD Set 6.1: A 370 SER OG : rot -40:sc= -2.74! USER MOD Set 6.2: A 377 THR OG1 : rot 92:sc= 1.24 USER MOD Set 7.1: A 356 TYR OH : rot -30:sc= -0.791 USER MOD Set 7.2: A 358 LYS NZ :NH3+ -154:sc= 1.2 (180deg=0.0431) USER MOD Single : A 130 1RG OBF : rot 165:sc= 0 USER MOD Single : A 339 HIS : no HD1:sc= -4.67! C(o=-4.7!,f=-4.6!) USER MOD Single : A 340 MET CE :methyl 173:sc= -5.11! (180deg=-5.56!) USER MOD Single : A 343 THR OG1 : rot 4:sc= 0.768 USER MOD Single : A 344 TYR OH : rot 89:sc= 0.628 USER MOD Single : A 351 ASN : amide:sc= -1.76! K(o=-1.8!,f=-1.2) USER MOD Single : A 352 GLN : amide:sc= -3.1! C(o=-3.1!,f=-5.3!) USER MOD Single : A 353 HIS : no HE2:sc= -6.65! C(o=-6.7!,f=-7.2!) USER MOD Single : A 354 MET CE :methyl -125:sc= -5.4! (180deg=-6.58!) USER MOD Single : A 357 TYR OH : rot 38:sc= 0.21 USER MOD Single : A 361 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 366 THR OG1 : rot 41:sc= -5.45! USER MOD Single : A 372 LYS NZ :NH3+ 150:sc= 0.0131 (180deg=0) USER MOD Single : A 374 THR OG1 : rot -151:sc= -3.21! USER MOD Single : A 375 THR OG1 : rot -173:sc= 0.187 USER MOD Single : A 383 TYR OH : rot -86:sc= 1.27 USER MOD Single : A 386 ASN : amide:sc= -2.14! K(o=-2.1!,f=-1.1) 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 405 SER OG : rot 180:sc=-0.000788 USER MOD Single : A 408 ASN : amide:sc= -0.176 X(o=-0.18,f=0) USER MOD Single : A 409 TYR OH : rot 180:sc= 0 USER MOD Single : A 416 THR OG1 : rot -168:sc= 0.599 USER MOD Single : A 426 GLN : amide:sc= -6.69! C(o=-6.7!,f=-14!) USER MOD Single : A 435 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 436 THR OG1 : rot 180:sc= -0.24 USER MOD Single : A 439 SER OG : rot 180:sc= 0 USER MOD Single : A 445 THR OG1 : rot -134:sc= 1 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 -106:sc= -20.9! (180deg=-29.5!) USER MOD Single : A 459 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 461 THR OG1 : rot -140:sc= 0.00211 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 338 12.706 2.663 15.365 1.00 1.87 N ATOM 2 CA GLY A 338 13.330 2.581 14.024 1.00 1.09 C ATOM 3 C GLY A 338 13.047 1.254 13.355 1.00 1.10 C ATOM 4 O GLY A 338 12.752 0.266 14.029 1.00 1.67 O ATOM 0 HA2 GLY A 338 12.955 3.391 13.398 1.00 1.09 H new ATOM 0 HA3 GLY A 338 14.407 2.720 14.115 1.00 1.09 H new ATOM 10 N HIS A 339 13.135 1.221 12.033 1.00 0.72 N ATOM 11 CA HIS A 339 12.847 0.003 11.291 1.00 0.65 C ATOM 12 C HIS A 339 14.009 -0.436 10.425 1.00 0.55 C ATOM 13 O HIS A 339 14.236 0.114 9.344 1.00 0.84 O ATOM 14 CB HIS A 339 11.597 0.118 10.405 1.00 0.81 C ATOM 15 CG HIS A 339 11.428 1.422 9.676 1.00 0.45 C ATOM 16 ND1 HIS A 339 11.252 2.640 10.300 1.00 0.51 N ATOM 17 CD2 HIS A 339 11.388 1.675 8.360 1.00 0.32 C ATOM 18 CE1 HIS A 339 11.116 3.582 9.386 1.00 0.38 C ATOM 19 NE2 HIS A 339 11.203 3.025 8.198 1.00 0.47 N ATOM 0 H HIS A 339 13.402 2.018 11.456 1.00 0.72 H new ATOM 0 HA HIS A 339 12.664 -0.747 12.061 1.00 0.65 H new ATOM 0 HB2 HIS A 339 11.621 -0.687 9.670 1.00 0.81 H new ATOM 0 HB3 HIS A 339 10.717 -0.045 11.028 1.00 0.81 H new ATOM 0 HD2 HIS A 339 11.484 0.946 7.569 1.00 0.32 H new ATOM 0 HE1 HIS A 339 10.960 4.633 9.581 1.00 0.38 H new ATOM 0 HE2 HIS A 339 11.143 3.515 7.305 1.00 0.47 H new ATOM 28 N MET A 340 14.734 -1.431 10.922 1.00 0.43 N ATOM 29 CA MET A 340 15.676 -2.192 10.114 1.00 0.31 C ATOM 30 C MET A 340 16.815 -1.341 9.557 1.00 0.33 C ATOM 31 O MET A 340 17.055 -0.220 10.009 1.00 0.43 O ATOM 32 CB MET A 340 14.921 -2.847 8.959 1.00 0.26 C ATOM 33 CG MET A 340 14.679 -4.321 9.124 1.00 0.67 C ATOM 34 SD MET A 340 14.860 -5.215 7.568 1.00 0.61 S ATOM 35 CE MET A 340 13.787 -4.256 6.502 1.00 0.17 C ATOM 0 H MET A 340 14.685 -1.732 11.895 1.00 0.43 H new ATOM 0 HA MET A 340 16.130 -2.940 10.764 1.00 0.31 H new ATOM 0 HB2 MET A 340 13.960 -2.346 8.840 1.00 0.26 H new ATOM 0 HB3 MET A 340 15.481 -2.685 8.038 1.00 0.26 H new ATOM 0 HG2 MET A 340 15.379 -4.723 9.857 1.00 0.67 H new ATOM 0 HG3 MET A 340 13.676 -4.482 9.520 1.00 0.67 H new ATOM 0 HE1 MET A 340 13.887 -4.607 5.475 1.00 0.17 H new ATOM 0 HE2 MET A 340 12.753 -4.373 6.827 1.00 0.17 H new ATOM 0 HE3 MET A 340 14.067 -3.204 6.555 1.00 0.17 H new ATOM 45 N GLU A 341 17.540 -1.916 8.602 1.00 0.29 N ATOM 46 CA GLU A 341 18.442 -1.163 7.749 1.00 0.35 C ATOM 47 C GLU A 341 17.600 -0.195 6.925 1.00 0.30 C ATOM 48 O GLU A 341 16.365 -0.265 6.948 1.00 0.36 O ATOM 49 CB GLU A 341 19.188 -2.128 6.823 1.00 0.43 C ATOM 50 CG GLU A 341 18.337 -2.680 5.705 1.00 1.31 C ATOM 51 CD GLU A 341 19.099 -3.624 4.797 1.00 1.61 C ATOM 52 OE1 GLU A 341 19.887 -3.145 3.957 1.00 1.85 O1- ATOM 53 OE2 GLU A 341 18.919 -4.853 4.927 1.00 1.82 O ATOM 0 H GLU A 341 17.516 -2.916 8.401 1.00 0.29 H new ATOM 0 HA GLU A 341 19.173 -0.615 8.343 1.00 0.35 H new ATOM 0 HB2 GLU A 341 20.047 -1.613 6.393 1.00 0.43 H new ATOM 0 HB3 GLU A 341 19.577 -2.957 7.414 1.00 0.43 H new ATOM 0 HG2 GLU A 341 17.482 -3.204 6.131 1.00 1.31 H new ATOM 0 HG3 GLU A 341 17.942 -1.854 5.113 1.00 1.31 H new ATOM 60 N ASP A 342 18.233 0.709 6.193 1.00 0.24 N ATOM 61 CA ASP A 342 17.457 1.677 5.453 1.00 0.20 C ATOM 62 C ASP A 342 16.987 1.066 4.158 1.00 0.17 C ATOM 63 O ASP A 342 17.600 1.235 3.103 1.00 0.19 O ATOM 64 CB ASP A 342 18.248 2.953 5.162 1.00 0.22 C ATOM 65 CG ASP A 342 18.800 3.598 6.415 1.00 0.31 C ATOM 66 OD1 ASP A 342 19.892 3.194 6.869 1.00 0.43 O1- ATOM 67 OD2 ASP A 342 18.142 4.510 6.958 1.00 0.39 O ATOM 0 H ASP A 342 19.246 0.789 6.099 1.00 0.24 H new ATOM 0 HA ASP A 342 16.603 1.954 6.071 1.00 0.20 H new ATOM 0 HB2 ASP A 342 19.071 2.719 4.486 1.00 0.22 H new ATOM 0 HB3 ASP A 342 17.604 3.665 4.646 1.00 0.22 H new ATOM 72 N THR A 343 15.889 0.353 4.270 1.00 0.13 N ATOM 73 CA THR A 343 15.123 -0.109 3.143 1.00 0.10 C ATOM 74 C THR A 343 13.714 -0.403 3.597 1.00 0.08 C ATOM 75 O THR A 343 13.523 -1.027 4.642 1.00 0.10 O ATOM 76 CB THR A 343 15.675 -1.376 2.484 1.00 0.11 C ATOM 77 OG1 THR A 343 17.004 -1.161 1.992 1.00 0.14 O ATOM 78 CG2 THR A 343 14.747 -1.757 1.350 1.00 0.08 C ATOM 0 H THR A 343 15.498 0.074 5.170 1.00 0.13 H new ATOM 0 HA THR A 343 15.169 0.688 2.400 1.00 0.10 H new ATOM 0 HB THR A 343 15.726 -2.181 3.218 1.00 0.11 H new ATOM 0 HG1 THR A 343 17.301 -0.259 2.234 1.00 0.14 H new ATOM 0 HG21 THR A 343 15.119 -2.659 0.863 1.00 0.08 H new ATOM 0 HG22 THR A 343 13.748 -1.943 1.744 1.00 0.08 H new ATOM 0 HG23 THR A 343 14.705 -0.944 0.625 1.00 0.08 H new ATOM 86 N TYR A 344 12.737 0.029 2.818 1.00 0.07 N ATOM 87 CA TYR A 344 11.344 -0.141 3.196 1.00 0.06 C ATOM 88 C TYR A 344 10.424 0.543 2.222 1.00 0.06 C ATOM 89 O TYR A 344 10.833 1.426 1.498 1.00 0.06 O ATOM 90 CB TYR A 344 11.106 0.476 4.559 1.00 0.08 C ATOM 91 CG TYR A 344 11.510 1.935 4.645 1.00 0.09 C ATOM 92 CD1 TYR A 344 12.819 2.276 4.939 1.00 0.12 C ATOM 93 CD2 TYR A 344 10.598 2.959 4.436 1.00 0.09 C ATOM 94 CE1 TYR A 344 13.213 3.598 5.024 1.00 0.13 C ATOM 95 CE2 TYR A 344 10.981 4.278 4.521 1.00 0.11 C ATOM 96 CZ TYR A 344 12.283 4.596 4.816 1.00 0.13 C ATOM 97 OH TYR A 344 12.652 5.920 4.883 1.00 0.15 O ATOM 0 H TYR A 344 12.881 0.498 1.924 1.00 0.07 H new ATOM 0 HA TYR A 344 11.137 -1.211 3.205 1.00 0.06 H new ATOM 0 HB2 TYR A 344 10.049 0.385 4.810 1.00 0.08 H new ATOM 0 HB3 TYR A 344 11.661 -0.091 5.307 1.00 0.08 H new ATOM 0 HD1 TYR A 344 13.546 1.495 5.105 1.00 0.12 H new ATOM 0 HD2 TYR A 344 9.571 2.717 4.203 1.00 0.09 H new ATOM 0 HE1 TYR A 344 14.239 3.848 5.251 1.00 0.13 H new ATOM 0 HE2 TYR A 344 10.257 5.062 4.356 1.00 0.11 H new ATOM 0 HH TYR A 344 12.944 6.223 3.998 1.00 0.15 H new ATOM 107 N ILE A 345 9.184 0.113 2.189 1.00 0.06 N ATOM 108 CA ILE A 345 8.156 0.894 1.556 1.00 0.06 C ATOM 109 C ILE A 345 7.750 2.004 2.472 1.00 0.07 C ATOM 110 O ILE A 345 7.819 1.867 3.688 1.00 0.08 O ATOM 111 CB ILE A 345 6.885 0.107 1.229 1.00 0.06 C ATOM 112 CG1 ILE A 345 7.175 -1.375 1.202 1.00 0.07 C ATOM 113 CG2 ILE A 345 6.378 0.537 -0.125 1.00 0.06 C ATOM 114 CD1 ILE A 345 8.233 -1.706 0.234 1.00 0.05 C ATOM 0 H ILE A 345 8.867 -0.769 2.592 1.00 0.06 H new ATOM 0 HA ILE A 345 8.588 1.246 0.619 1.00 0.06 H new ATOM 0 HB ILE A 345 6.136 0.306 1.995 1.00 0.06 H new ATOM 0 HG12 ILE A 345 7.476 -1.705 2.196 1.00 0.07 H new ATOM 0 HG13 ILE A 345 6.266 -1.919 0.947 1.00 0.07 H new ATOM 0 HG21 ILE A 345 5.472 -0.018 -0.367 1.00 0.06 H new ATOM 0 HG22 ILE A 345 6.156 1.604 -0.108 1.00 0.06 H new ATOM 0 HG23 ILE A 345 7.139 0.336 -0.879 1.00 0.06 H new ATOM 0 HD11 ILE A 345 8.412 -2.781 0.244 1.00 0.05 H new ATOM 0 HD12 ILE A 345 7.921 -1.400 -0.765 1.00 0.05 H new ATOM 0 HD13 ILE A 345 9.150 -1.183 0.504 1.00 0.05 H new ATOM 126 N GLU A 346 7.303 3.074 1.892 1.00 0.09 N ATOM 127 CA GLU A 346 6.947 4.242 2.653 1.00 0.12 C ATOM 128 C GLU A 346 5.835 4.985 1.952 1.00 0.17 C ATOM 129 O GLU A 346 5.779 5.003 0.742 1.00 0.21 O ATOM 130 CB GLU A 346 8.169 5.135 2.761 1.00 0.15 C ATOM 131 CG GLU A 346 7.918 6.335 3.631 1.00 0.13 C ATOM 132 CD GLU A 346 9.055 7.342 3.679 1.00 1.24 C ATOM 133 OE1 GLU A 346 10.019 7.132 4.451 1.00 2.01 O1- ATOM 134 OE2 GLU A 346 8.976 8.370 2.972 1.00 1.53 O ATOM 0 H GLU A 346 7.173 3.168 0.885 1.00 0.09 H new ATOM 0 HA GLU A 346 6.606 3.952 3.647 1.00 0.12 H new ATOM 0 HB2 GLU A 346 9.002 4.561 3.167 1.00 0.15 H new ATOM 0 HB3 GLU A 346 8.465 5.465 1.765 1.00 0.15 H new ATOM 0 HG2 GLU A 346 7.020 6.840 3.277 1.00 0.13 H new ATOM 0 HG3 GLU A 346 7.712 5.993 4.645 1.00 0.13 H new ATOM 141 N VAL A 347 4.906 5.537 2.703 1.00 0.17 N ATOM 142 CA VAL A 347 3.838 6.299 2.112 1.00 0.17 C ATOM 143 C VAL A 347 3.591 7.584 2.867 1.00 0.20 C ATOM 144 O VAL A 347 4.026 7.747 3.995 1.00 0.45 O ATOM 145 CB VAL A 347 2.516 5.526 2.067 1.00 0.15 C ATOM 146 CG1 VAL A 347 1.609 6.165 1.047 1.00 0.14 C ATOM 147 CG2 VAL A 347 2.727 4.055 1.757 1.00 0.15 C ATOM 0 H VAL A 347 4.872 5.470 3.720 1.00 0.17 H new ATOM 0 HA VAL A 347 4.166 6.511 1.094 1.00 0.17 H new ATOM 0 HB VAL A 347 2.053 5.573 3.053 1.00 0.15 H new ATOM 0 HG11 VAL A 347 0.665 5.621 1.008 1.00 0.14 H new ATOM 0 HG12 VAL A 347 1.419 7.201 1.327 1.00 0.14 H new ATOM 0 HG13 VAL A 347 2.086 6.135 0.067 1.00 0.14 H new ATOM 0 HG21 VAL A 347 1.763 3.546 1.735 1.00 0.15 H new ATOM 0 HG22 VAL A 347 3.213 3.954 0.787 1.00 0.15 H new ATOM 0 HG23 VAL A 347 3.356 3.608 2.526 1.00 0.15 H new ATOM 157 N ASP A 348 2.915 8.492 2.200 1.00 0.10 N ATOM 158 CA ASP A 348 2.471 9.738 2.763 1.00 0.09 C ATOM 159 C ASP A 348 1.080 10.004 2.221 1.00 0.08 C ATOM 160 O ASP A 348 0.905 10.310 1.060 1.00 0.10 O ATOM 161 CB ASP A 348 3.434 10.850 2.337 1.00 0.12 C ATOM 162 CG ASP A 348 3.238 12.126 3.113 1.00 0.16 C ATOM 163 OD1 ASP A 348 2.074 12.453 3.430 1.00 0.16 O1- ATOM 164 OD2 ASP A 348 4.241 12.798 3.432 1.00 0.24 O ATOM 0 H ASP A 348 2.653 8.376 1.221 1.00 0.10 H new ATOM 0 HA ASP A 348 2.449 9.701 3.852 1.00 0.09 H new ATOM 0 HB2 ASP A 348 4.460 10.505 2.468 1.00 0.12 H new ATOM 0 HB3 ASP A 348 3.299 11.053 1.275 1.00 0.12 H new ATOM 169 N LEU A 349 0.107 9.828 3.083 1.00 0.08 N ATOM 170 CA LEU A 349 -1.314 9.787 2.715 1.00 0.09 C ATOM 171 C LEU A 349 -1.852 11.165 2.587 1.00 0.12 C ATOM 172 O LEU A 349 -2.790 11.444 1.856 1.00 0.16 O ATOM 173 CB LEU A 349 -2.091 9.083 3.804 1.00 0.10 C ATOM 174 CG LEU A 349 -1.464 7.794 4.253 1.00 0.08 C ATOM 175 CD1 LEU A 349 -0.809 7.116 3.082 1.00 0.07 C ATOM 176 CD2 LEU A 349 -0.466 8.075 5.332 1.00 0.08 C ATOM 0 H LEU A 349 0.270 9.706 4.082 1.00 0.08 H new ATOM 0 HA LEU A 349 -1.412 9.261 1.765 1.00 0.09 H new ATOM 0 HB2 LEU A 349 -2.184 9.750 4.661 1.00 0.10 H new ATOM 0 HB3 LEU A 349 -3.100 8.881 3.446 1.00 0.10 H new ATOM 0 HG LEU A 349 -2.230 7.129 4.652 1.00 0.08 H new ATOM 0 HD11 LEU A 349 -0.355 6.181 3.410 1.00 0.07 H new ATOM 0 HD12 LEU A 349 -1.557 6.907 2.317 1.00 0.07 H new ATOM 0 HD13 LEU A 349 -0.039 7.768 2.668 1.00 0.07 H new ATOM 0 HD21 LEU A 349 -0.010 7.140 5.659 1.00 0.08 H new ATOM 0 HD22 LEU A 349 0.307 8.741 4.948 1.00 0.08 H new ATOM 0 HD23 LEU A 349 -0.967 8.549 6.176 1.00 0.08 H new ATOM 188 N GLU A 350 -1.258 11.972 3.430 1.00 0.13 N ATOM 189 CA GLU A 350 -1.493 13.393 3.515 1.00 0.15 C ATOM 190 C GLU A 350 -1.178 13.999 2.192 1.00 0.14 C ATOM 191 O GLU A 350 -1.868 14.870 1.673 1.00 0.17 O ATOM 192 CB GLU A 350 -0.535 13.947 4.527 1.00 0.18 C ATOM 193 CG GLU A 350 -0.380 13.061 5.694 1.00 0.19 C ATOM 194 CD GLU A 350 -0.553 13.766 7.018 1.00 0.28 C ATOM 195 OE1 GLU A 350 0.042 14.846 7.207 1.00 0.57 O ATOM 196 OE2 GLU A 350 -1.279 13.233 7.882 1.00 0.60 O1- ATOM 0 H GLU A 350 -0.568 11.643 4.105 1.00 0.13 H new ATOM 0 HA GLU A 350 -2.525 13.605 3.793 1.00 0.15 H new ATOM 0 HB2 GLU A 350 0.437 14.100 4.058 1.00 0.18 H new ATOM 0 HB3 GLU A 350 -0.886 14.924 4.859 1.00 0.18 H new ATOM 0 HG2 GLU A 350 -1.108 12.253 5.625 1.00 0.19 H new ATOM 0 HG3 GLU A 350 0.609 12.603 5.663 1.00 0.19 H new ATOM 203 N ASN A 351 -0.047 13.536 1.718 1.00 0.12 N ATOM 204 CA ASN A 351 0.554 14.023 0.484 1.00 0.11 C ATOM 205 C ASN A 351 0.277 13.074 -0.655 1.00 0.09 C ATOM 206 O ASN A 351 0.804 13.218 -1.761 1.00 0.10 O ATOM 207 CB ASN A 351 2.052 14.190 0.691 1.00 0.13 C ATOM 208 CG ASN A 351 2.333 15.303 1.658 1.00 0.17 C ATOM 209 OD1 ASN A 351 2.623 16.432 1.265 1.00 0.20 O ATOM 210 ND2 ASN A 351 2.218 14.994 2.930 1.00 0.18 N ATOM 0 H ASN A 351 0.494 12.803 2.177 1.00 0.12 H new ATOM 0 HA ASN A 351 0.116 14.987 0.226 1.00 0.11 H new ATOM 0 HB2 ASN A 351 2.478 13.260 1.066 1.00 0.13 H new ATOM 0 HB3 ASN A 351 2.535 14.400 -0.263 1.00 0.13 H new ATOM 0 HD21 ASN A 351 2.372 15.706 3.644 1.00 0.18 H new ATOM 0 HD22 ASN A 351 1.975 14.042 3.204 1.00 0.18 H new ATOM 217 N GLN A 352 -0.567 12.099 -0.318 1.00 0.08 N ATOM 218 CA GLN A 352 -0.955 10.991 -1.178 1.00 0.08 C ATOM 219 C GLN A 352 0.159 10.539 -2.100 1.00 0.07 C ATOM 220 O GLN A 352 0.016 10.524 -3.321 1.00 0.08 O ATOM 221 CB GLN A 352 -2.213 11.289 -1.974 1.00 0.12 C ATOM 222 CG GLN A 352 -3.417 11.582 -1.112 1.00 0.21 C ATOM 223 CD GLN A 352 -3.531 13.048 -0.731 1.00 1.28 C ATOM 224 OE1 GLN A 352 -3.098 13.934 -1.463 1.00 2.15 O ATOM 225 NE2 GLN A 352 -4.101 13.313 0.429 1.00 1.89 N ATOM 0 H GLN A 352 -1.014 12.062 0.598 1.00 0.08 H new ATOM 0 HA GLN A 352 -1.172 10.166 -0.500 1.00 0.08 H new ATOM 0 HB2 GLN A 352 -2.027 12.142 -2.626 1.00 0.12 H new ATOM 0 HB3 GLN A 352 -2.436 10.438 -2.618 1.00 0.12 H new ATOM 0 HG2 GLN A 352 -4.319 11.279 -1.643 1.00 0.21 H new ATOM 0 HG3 GLN A 352 -3.363 10.980 -0.205 1.00 0.21 H new ATOM 0 HE21 GLN A 352 -4.450 12.552 1.012 1.00 1.89 H new ATOM 0 HE22 GLN A 352 -4.193 14.279 0.743 1.00 1.89 H new ATOM 234 N HIS A 353 1.244 10.109 -1.502 1.00 0.05 N ATOM 235 CA HIS A 353 2.390 9.665 -2.255 1.00 0.05 C ATOM 236 C HIS A 353 3.014 8.469 -1.576 1.00 0.06 C ATOM 237 O HIS A 353 3.162 8.435 -0.369 1.00 0.07 O ATOM 238 CB HIS A 353 3.397 10.800 -2.381 1.00 0.06 C ATOM 239 CG HIS A 353 4.451 10.522 -3.394 1.00 0.06 C ATOM 240 ND1 HIS A 353 4.402 10.938 -4.710 1.00 0.09 N ATOM 241 CD2 HIS A 353 5.565 9.800 -3.274 1.00 0.06 C ATOM 242 CE1 HIS A 353 5.457 10.454 -5.351 1.00 0.09 C ATOM 243 NE2 HIS A 353 6.179 9.767 -4.490 1.00 0.07 N ATOM 0 H HIS A 353 1.356 10.057 -0.490 1.00 0.05 H new ATOM 0 HA HIS A 353 2.075 9.370 -3.256 1.00 0.05 H new ATOM 0 HB2 HIS A 353 2.873 11.717 -2.650 1.00 0.06 H new ATOM 0 HB3 HIS A 353 3.866 10.973 -1.413 1.00 0.06 H new ATOM 0 HD1 HIS A 353 3.674 11.522 -5.121 1.00 0.09 H new ATOM 0 HD2 HIS A 353 5.919 9.324 -2.371 1.00 0.06 H new ATOM 0 HE1 HIS A 353 5.685 10.598 -6.397 1.00 0.09 H new ATOM 252 N MET A 354 3.334 7.473 -2.366 1.00 0.05 N ATOM 253 CA MET A 354 3.926 6.269 -1.868 1.00 0.06 C ATOM 254 C MET A 354 5.351 6.131 -2.385 1.00 0.05 C ATOM 255 O MET A 354 5.698 6.667 -3.432 1.00 0.06 O ATOM 256 CB MET A 354 3.115 5.061 -2.278 1.00 0.07 C ATOM 257 CG MET A 354 3.453 3.822 -1.482 1.00 0.07 C ATOM 258 SD MET A 354 3.755 2.380 -2.509 1.00 0.06 S ATOM 259 CE MET A 354 4.954 3.052 -3.650 1.00 0.05 C ATOM 0 H MET A 354 3.188 7.481 -3.375 1.00 0.05 H new ATOM 0 HA MET A 354 3.942 6.324 -0.780 1.00 0.06 H new ATOM 0 HB2 MET A 354 2.055 5.285 -2.158 1.00 0.07 H new ATOM 0 HB3 MET A 354 3.281 4.862 -3.337 1.00 0.07 H new ATOM 0 HG2 MET A 354 4.336 4.018 -0.874 1.00 0.07 H new ATOM 0 HG3 MET A 354 2.635 3.605 -0.795 1.00 0.07 H new ATOM 0 HE1 MET A 354 4.606 2.905 -4.672 1.00 0.05 H new ATOM 0 HE2 MET A 354 5.080 4.118 -3.459 1.00 0.05 H new ATOM 0 HE3 MET A 354 5.909 2.544 -3.515 1.00 0.05 H new ATOM 269 N TRP A 355 6.146 5.388 -1.658 1.00 0.05 N ATOM 270 CA TRP A 355 7.558 5.220 -1.934 1.00 0.07 C ATOM 271 C TRP A 355 7.996 3.809 -1.675 1.00 0.07 C ATOM 272 O TRP A 355 7.397 3.103 -0.881 1.00 0.11 O ATOM 273 CB TRP A 355 8.418 6.079 -1.008 1.00 0.08 C ATOM 274 CG TRP A 355 8.320 7.529 -1.230 1.00 0.07 C ATOM 275 CD1 TRP A 355 9.045 8.275 -2.074 1.00 0.06 C ATOM 276 CD2 TRP A 355 7.455 8.401 -0.552 1.00 0.07 C ATOM 277 NE1 TRP A 355 8.663 9.586 -1.993 1.00 0.05 N ATOM 278 CE2 TRP A 355 7.675 9.686 -1.036 1.00 0.06 C ATOM 279 CE3 TRP A 355 6.505 8.201 0.416 1.00 0.08 C ATOM 280 CZ2 TRP A 355 6.948 10.774 -0.549 1.00 0.07 C ATOM 281 CZ3 TRP A 355 5.809 9.243 0.886 1.00 0.09 C ATOM 282 CH2 TRP A 355 6.023 10.524 0.414 1.00 0.09 C ATOM 0 H TRP A 355 5.827 4.870 -0.839 1.00 0.05 H new ATOM 0 HA TRP A 355 7.687 5.503 -2.979 1.00 0.07 H new ATOM 0 HB2 TRP A 355 8.138 5.866 0.024 1.00 0.08 H new ATOM 0 HB3 TRP A 355 9.460 5.779 -1.124 1.00 0.08 H new ATOM 0 HD1 TRP A 355 9.819 7.896 -2.725 1.00 0.06 H new ATOM 0 HE1 TRP A 355 9.043 10.356 -2.544 1.00 0.05 H new ATOM 0 HE3 TRP A 355 6.319 7.208 0.797 1.00 0.08 H new ATOM 0 HZ2 TRP A 355 7.114 11.774 -0.923 1.00 0.07 H new ATOM 0 HZ3 TRP A 355 5.064 9.079 1.651 1.00 0.09 H new ATOM 0 HH2 TRP A 355 5.444 11.341 0.818 1.00 0.09 H new ATOM 293 N TYR A 356 9.050 3.418 -2.335 1.00 0.04 N ATOM 294 CA TYR A 356 9.918 2.410 -1.807 1.00 0.04 C ATOM 295 C TYR A 356 11.186 3.088 -1.445 1.00 0.04 C ATOM 296 O TYR A 356 11.561 4.069 -2.049 1.00 0.05 O ATOM 297 CB TYR A 356 10.250 1.354 -2.792 1.00 0.03 C ATOM 298 CG TYR A 356 11.151 0.274 -2.216 1.00 0.03 C ATOM 299 CD1 TYR A 356 10.625 -0.746 -1.466 1.00 0.05 C ATOM 300 CD2 TYR A 356 12.507 0.248 -2.471 1.00 0.05 C ATOM 301 CE1 TYR A 356 11.407 -1.764 -1.006 1.00 0.11 C ATOM 302 CE2 TYR A 356 13.309 -0.768 -1.994 1.00 0.10 C ATOM 303 CZ TYR A 356 12.744 -1.779 -1.271 1.00 0.05 C ATOM 304 OH TYR A 356 13.507 -2.834 -0.846 1.00 0.26 O ATOM 0 H TYR A 356 9.328 3.786 -3.245 1.00 0.04 H new ATOM 0 HA TYR A 356 9.415 1.932 -0.966 1.00 0.04 H new ATOM 0 HB2 TYR A 356 9.328 0.898 -3.153 1.00 0.03 H new ATOM 0 HB3 TYR A 356 10.740 1.808 -3.654 1.00 0.03 H new ATOM 0 HD1 TYR A 356 9.570 -0.743 -1.235 1.00 0.05 H new ATOM 0 HD2 TYR A 356 12.950 1.040 -3.057 1.00 0.05 H new ATOM 0 HE1 TYR A 356 10.965 -2.562 -0.429 1.00 0.11 H new ATOM 0 HE2 TYR A 356 14.371 -0.764 -2.190 1.00 0.10 H new ATOM 0 HH TYR A 356 13.122 -3.207 -0.025 1.00 0.26 H new ATOM 314 N TYR A 357 11.848 2.529 -0.517 1.00 0.05 N ATOM 315 CA TYR A 357 13.074 3.087 -0.017 1.00 0.06 C ATOM 316 C TYR A 357 14.154 2.051 -0.009 1.00 0.06 C ATOM 317 O TYR A 357 14.059 1.047 0.679 1.00 0.07 O ATOM 318 CB TYR A 357 12.919 3.639 1.390 1.00 0.07 C ATOM 319 CG TYR A 357 12.559 5.094 1.451 1.00 0.07 C ATOM 320 CD1 TYR A 357 11.255 5.521 1.254 1.00 0.08 C ATOM 321 CD2 TYR A 357 13.536 6.042 1.710 1.00 0.10 C ATOM 322 CE1 TYR A 357 10.930 6.863 1.313 1.00 0.10 C ATOM 323 CE2 TYR A 357 13.227 7.379 1.772 1.00 0.11 C ATOM 324 CZ TYR A 357 11.921 7.789 1.573 1.00 0.11 C ATOM 325 OH TYR A 357 11.599 9.125 1.637 1.00 0.14 O ATOM 0 H TYR A 357 11.567 1.659 -0.064 1.00 0.05 H new ATOM 0 HA TYR A 357 13.341 3.907 -0.684 1.00 0.06 H new ATOM 0 HB2 TYR A 357 12.151 3.066 1.909 1.00 0.07 H new ATOM 0 HB3 TYR A 357 13.852 3.486 1.932 1.00 0.07 H new ATOM 0 HD1 TYR A 357 10.482 4.795 1.052 1.00 0.08 H new ATOM 0 HD2 TYR A 357 14.557 5.725 1.866 1.00 0.10 H new ATOM 0 HE1 TYR A 357 9.911 7.184 1.157 1.00 0.10 H new ATOM 0 HE2 TYR A 357 13.999 8.106 1.975 1.00 0.11 H new ATOM 0 HH TYR A 357 10.727 9.231 2.072 1.00 0.14 H new ATOM 335 N LYS A 358 15.156 2.297 -0.796 1.00 0.07 N ATOM 336 CA LYS A 358 16.377 1.549 -0.735 1.00 0.09 C ATOM 337 C LYS A 358 17.447 2.529 -0.331 1.00 0.13 C ATOM 338 O LYS A 358 17.435 3.650 -0.766 1.00 0.25 O ATOM 339 CB LYS A 358 16.719 0.940 -2.079 1.00 0.11 C ATOM 340 CG LYS A 358 17.698 -0.182 -1.966 1.00 0.12 C ATOM 341 CD LYS A 358 17.030 -1.319 -1.308 1.00 0.09 C ATOM 342 CE LYS A 358 16.485 -2.238 -2.345 1.00 0.09 C ATOM 343 NZ LYS A 358 15.966 -3.501 -1.762 1.00 0.10 N1+ ATOM 0 H LYS A 358 15.151 3.029 -1.506 1.00 0.07 H new ATOM 0 HA LYS A 358 16.287 0.725 -0.027 1.00 0.09 H new ATOM 0 HB2 LYS A 358 15.807 0.576 -2.552 1.00 0.11 H new ATOM 0 HB3 LYS A 358 17.129 1.712 -2.730 1.00 0.11 H new ATOM 0 HG2 LYS A 358 18.057 -0.473 -2.953 1.00 0.12 H new ATOM 0 HG3 LYS A 358 18.569 0.131 -1.390 1.00 0.12 H new ATOM 0 HD2 LYS A 358 17.736 -1.850 -0.670 1.00 0.09 H new ATOM 0 HD3 LYS A 358 16.226 -0.961 -0.665 1.00 0.09 H new ATOM 0 HE2 LYS A 358 15.685 -1.735 -2.888 1.00 0.09 H new ATOM 0 HE3 LYS A 358 17.266 -2.469 -3.069 1.00 0.09 H new ATOM 0 HZ1 LYS A 358 16.010 -4.257 -2.475 1.00 0.10 H new ATOM 0 HZ2 LYS A 358 16.544 -3.767 -0.940 1.00 0.10 H new ATOM 0 HZ3 LYS A 358 14.979 -3.365 -1.462 1.00 0.10 H new ATOM 357 N ASP A 359 18.348 2.098 0.519 1.00 0.13 N ATOM 358 CA ASP A 359 19.533 2.882 0.875 1.00 0.16 C ATOM 359 C ASP A 359 19.208 4.137 1.651 1.00 0.16 C ATOM 360 O ASP A 359 20.044 5.033 1.774 1.00 0.28 O ATOM 361 CB ASP A 359 20.320 3.289 -0.350 1.00 0.19 C ATOM 362 CG ASP A 359 21.791 2.950 -0.234 1.00 0.28 C ATOM 363 OD1 ASP A 359 22.157 1.773 -0.440 1.00 0.43 O ATOM 364 OD2 ASP A 359 22.592 3.859 0.061 1.00 0.39 O1- ATOM 0 H ASP A 359 18.291 1.195 0.990 1.00 0.13 H new ATOM 0 HA ASP A 359 20.124 2.220 1.508 1.00 0.16 H new ATOM 0 HB2 ASP A 359 19.904 2.792 -1.227 1.00 0.19 H new ATOM 0 HB3 ASP A 359 20.209 4.362 -0.509 1.00 0.19 H new ATOM 369 N GLY A 360 18.010 4.170 2.212 1.00 0.15 N ATOM 370 CA GLY A 360 17.522 5.372 2.861 1.00 0.15 C ATOM 371 C GLY A 360 17.076 6.416 1.901 1.00 0.14 C ATOM 372 O GLY A 360 16.739 7.536 2.276 1.00 0.18 O ATOM 0 H GLY A 360 17.362 3.382 2.230 1.00 0.15 H new ATOM 0 HA2 GLY A 360 16.691 5.111 3.516 1.00 0.15 H new ATOM 0 HA3 GLY A 360 18.310 5.781 3.493 1.00 0.15 H new ATOM 376 N LYS A 361 17.038 6.016 0.672 1.00 0.13 N ATOM 377 CA LYS A 361 16.611 6.848 -0.409 1.00 0.13 C ATOM 378 C LYS A 361 15.542 6.047 -1.113 1.00 0.09 C ATOM 379 O LYS A 361 15.238 4.949 -0.678 1.00 0.12 O ATOM 380 CB LYS A 361 17.817 7.092 -1.286 1.00 0.16 C ATOM 381 CG LYS A 361 18.244 5.865 -2.052 1.00 0.17 C ATOM 382 CD LYS A 361 19.191 6.184 -3.163 1.00 0.23 C ATOM 383 CE LYS A 361 18.529 7.085 -4.181 1.00 0.26 C ATOM 384 NZ LYS A 361 19.157 6.972 -5.523 1.00 0.37 N1+ ATOM 0 H LYS A 361 17.310 5.076 0.383 1.00 0.13 H new ATOM 0 HA LYS A 361 16.214 7.819 -0.113 1.00 0.13 H new ATOM 0 HB2 LYS A 361 17.592 7.893 -1.990 1.00 0.16 H new ATOM 0 HB3 LYS A 361 18.646 7.435 -0.667 1.00 0.16 H new ATOM 0 HG2 LYS A 361 18.716 5.160 -1.368 1.00 0.17 H new ATOM 0 HG3 LYS A 361 17.363 5.371 -2.461 1.00 0.17 H new ATOM 0 HD2 LYS A 361 20.080 6.670 -2.762 1.00 0.23 H new ATOM 0 HD3 LYS A 361 19.520 5.263 -3.644 1.00 0.23 H new ATOM 0 HE2 LYS A 361 17.471 6.832 -4.254 1.00 0.26 H new ATOM 0 HE3 LYS A 361 18.587 8.119 -3.841 1.00 0.26 H new ATOM 0 HZ1 LYS A 361 18.671 7.607 -6.188 1.00 0.37 H new ATOM 0 HZ2 LYS A 361 20.160 7.238 -5.460 1.00 0.37 H new ATOM 0 HZ3 LYS A 361 19.080 5.992 -5.861 1.00 0.37 H new ATOM 398 N VAL A 362 14.914 6.559 -2.139 1.00 0.09 N ATOM 399 CA VAL A 362 13.867 5.764 -2.728 1.00 0.07 C ATOM 400 C VAL A 362 14.183 5.113 -4.019 1.00 0.07 C ATOM 401 O VAL A 362 15.023 5.545 -4.809 1.00 0.10 O ATOM 402 CB VAL A 362 12.548 6.475 -2.879 1.00 0.07 C ATOM 403 CG1 VAL A 362 12.146 7.027 -1.566 1.00 0.07 C ATOM 404 CG2 VAL A 362 12.572 7.533 -3.911 1.00 0.09 C ATOM 0 H VAL A 362 15.092 7.468 -2.565 1.00 0.09 H new ATOM 0 HA VAL A 362 13.781 4.982 -1.973 1.00 0.07 H new ATOM 0 HB VAL A 362 11.814 5.745 -3.221 1.00 0.07 H new ATOM 0 HG11 VAL A 362 11.192 7.544 -1.665 1.00 0.07 H new ATOM 0 HG12 VAL A 362 12.046 6.215 -0.845 1.00 0.07 H new ATOM 0 HG13 VAL A 362 12.904 7.729 -1.219 1.00 0.07 H new ATOM 0 HG21 VAL A 362 11.592 8.006 -3.970 1.00 0.09 H new ATOM 0 HG22 VAL A 362 13.321 8.281 -3.648 1.00 0.09 H new ATOM 0 HG23 VAL A 362 12.821 7.094 -4.877 1.00 0.09 H new ATOM 414 N ALA A 363 13.401 4.079 -4.215 1.00 0.05 N ATOM 415 CA ALA A 363 13.465 3.256 -5.357 1.00 0.05 C ATOM 416 C ALA A 363 12.248 3.557 -6.155 1.00 0.05 C ATOM 417 O ALA A 363 12.197 3.426 -7.373 1.00 0.07 O ATOM 418 CB ALA A 363 13.462 1.805 -4.932 1.00 0.05 C ATOM 0 H ALA A 363 12.683 3.793 -3.549 1.00 0.05 H new ATOM 0 HA ALA A 363 14.370 3.437 -5.937 1.00 0.05 H new ATOM 0 HB1 ALA A 363 13.511 1.167 -5.815 1.00 0.05 H new ATOM 0 HB2 ALA A 363 14.325 1.611 -4.295 1.00 0.05 H new ATOM 0 HB3 ALA A 363 12.547 1.590 -4.380 1.00 0.05 H new ATOM 424 N LEU A 364 11.264 3.973 -5.398 1.00 0.04 N ATOM 425 CA LEU A 364 9.968 4.246 -5.902 1.00 0.04 C ATOM 426 C LEU A 364 9.442 5.529 -5.392 1.00 0.05 C ATOM 427 O LEU A 364 9.643 5.909 -4.241 1.00 0.06 O ATOM 428 CB LEU A 364 9.047 3.140 -5.484 1.00 0.04 C ATOM 429 CG LEU A 364 8.354 2.465 -6.618 1.00 0.05 C ATOM 430 CD1 LEU A 364 9.364 2.136 -7.671 1.00 0.05 C ATOM 431 CD2 LEU A 364 7.706 1.223 -6.123 1.00 0.05 C ATOM 0 H LEU A 364 11.357 4.130 -4.395 1.00 0.04 H new ATOM 0 HA LEU A 364 10.030 4.315 -6.988 1.00 0.04 H new ATOM 0 HB2 LEU A 364 9.618 2.397 -4.927 1.00 0.04 H new ATOM 0 HB3 LEU A 364 8.298 3.543 -4.802 1.00 0.04 H new ATOM 0 HG LEU A 364 7.591 3.119 -7.041 1.00 0.05 H new ATOM 0 HD11 LEU A 364 8.870 1.641 -8.507 1.00 0.05 H new ATOM 0 HD12 LEU A 364 9.837 3.054 -8.021 1.00 0.05 H new ATOM 0 HD13 LEU A 364 10.122 1.473 -7.254 1.00 0.05 H new ATOM 0 HD21 LEU A 364 7.197 0.724 -6.948 1.00 0.05 H new ATOM 0 HD22 LEU A 364 8.463 0.558 -5.709 1.00 0.05 H new ATOM 0 HD23 LEU A 364 6.981 1.474 -5.349 1.00 0.05 H new ATOM 443 N GLU A 365 8.738 6.157 -6.268 1.00 0.05 N ATOM 444 CA GLU A 365 8.065 7.355 -5.978 1.00 0.06 C ATOM 445 C GLU A 365 6.781 7.240 -6.703 1.00 0.05 C ATOM 446 O GLU A 365 6.767 7.137 -7.929 1.00 0.07 O ATOM 447 CB GLU A 365 8.880 8.497 -6.523 1.00 0.10 C ATOM 448 CG GLU A 365 9.056 9.660 -5.569 1.00 0.16 C ATOM 449 CD GLU A 365 10.172 10.586 -5.988 1.00 0.27 C ATOM 450 OE1 GLU A 365 9.950 11.412 -6.894 1.00 0.45 O1- ATOM 451 OE2 GLU A 365 11.279 10.484 -5.422 1.00 0.48 O ATOM 0 H GLU A 365 8.617 5.835 -7.228 1.00 0.05 H new ATOM 0 HA GLU A 365 7.912 7.528 -4.913 1.00 0.06 H new ATOM 0 HB2 GLU A 365 9.864 8.122 -6.803 1.00 0.10 H new ATOM 0 HB3 GLU A 365 8.406 8.861 -7.435 1.00 0.10 H new ATOM 0 HG2 GLU A 365 8.124 10.222 -5.510 1.00 0.16 H new ATOM 0 HG3 GLU A 365 9.261 9.278 -4.569 1.00 0.16 H new ATOM 458 N THR A 366 5.707 7.247 -5.992 1.00 0.05 N ATOM 459 CA THR A 366 4.479 7.141 -6.654 1.00 0.06 C ATOM 460 C THR A 366 3.400 7.857 -5.915 1.00 0.06 C ATOM 461 O THR A 366 3.532 8.202 -4.762 1.00 0.07 O ATOM 462 CB THR A 366 4.120 5.664 -6.857 1.00 0.06 C ATOM 463 OG1 THR A 366 3.511 5.463 -8.116 1.00 0.07 O ATOM 464 CG2 THR A 366 3.171 5.194 -5.791 1.00 0.07 C ATOM 0 H THR A 366 5.664 7.324 -4.976 1.00 0.05 H new ATOM 0 HA THR A 366 4.572 7.616 -7.630 1.00 0.06 H new ATOM 0 HB THR A 366 5.048 5.095 -6.802 1.00 0.06 H new ATOM 0 HG1 THR A 366 3.974 6.000 -8.793 1.00 0.07 H new ATOM 0 HG21 THR A 366 2.930 4.144 -5.955 1.00 0.07 H new ATOM 0 HG22 THR A 366 3.636 5.311 -4.812 1.00 0.07 H new ATOM 0 HG23 THR A 366 2.257 5.786 -5.831 1.00 0.07 H new ATOM 472 N ASP A 367 2.348 8.077 -6.603 1.00 0.07 N ATOM 473 CA ASP A 367 1.228 8.761 -6.089 1.00 0.09 C ATOM 474 C ASP A 367 0.146 7.764 -5.732 1.00 0.09 C ATOM 475 O ASP A 367 -0.112 6.833 -6.475 1.00 0.11 O ATOM 476 CB ASP A 367 0.817 9.751 -7.161 1.00 0.13 C ATOM 477 CG ASP A 367 0.604 9.151 -8.552 1.00 0.98 C ATOM 478 OD1 ASP A 367 1.162 8.076 -8.858 1.00 1.80 O1- ATOM 479 OD2 ASP A 367 -0.095 9.782 -9.370 1.00 1.65 O ATOM 0 H ASP A 367 2.239 7.776 -7.571 1.00 0.07 H new ATOM 0 HA ASP A 367 1.439 9.302 -5.167 1.00 0.09 H new ATOM 0 HB2 ASP A 367 -0.106 10.239 -6.848 1.00 0.13 H new ATOM 0 HB3 ASP A 367 1.580 10.526 -7.230 1.00 0.13 H new ATOM 484 N ILE A 368 -0.421 7.918 -4.544 1.00 0.09 N ATOM 485 CA ILE A 368 -1.361 6.945 -4.015 1.00 0.08 C ATOM 486 C ILE A 368 -2.600 7.585 -3.486 1.00 0.07 C ATOM 487 O ILE A 368 -2.800 8.790 -3.561 1.00 0.08 O ATOM 488 CB ILE A 368 -0.767 6.118 -2.878 1.00 0.09 C ATOM 489 CG1 ILE A 368 0.014 6.987 -1.937 1.00 0.08 C ATOM 490 CG2 ILE A 368 0.093 5.035 -3.437 1.00 0.12 C ATOM 491 CD1 ILE A 368 -0.819 7.613 -0.839 1.00 0.08 C ATOM 0 H ILE A 368 -0.244 8.711 -3.928 1.00 0.09 H new ATOM 0 HA ILE A 368 -1.598 6.303 -4.863 1.00 0.08 H new ATOM 0 HB ILE A 368 -1.581 5.664 -2.312 1.00 0.09 H new ATOM 0 HG12 ILE A 368 0.806 6.392 -1.483 1.00 0.08 H new ATOM 0 HG13 ILE A 368 0.498 7.779 -2.508 1.00 0.08 H new ATOM 0 HG21 ILE A 368 0.515 4.448 -2.621 1.00 0.12 H new ATOM 0 HG22 ILE A 368 -0.507 4.388 -4.078 1.00 0.12 H new ATOM 0 HG23 ILE A 368 0.900 5.477 -4.021 1.00 0.12 H new ATOM 0 HD11 ILE A 368 -0.181 8.225 -0.202 1.00 0.08 H new ATOM 0 HD12 ILE A 368 -1.595 8.237 -1.282 1.00 0.08 H new ATOM 0 HD13 ILE A 368 -1.282 6.828 -0.241 1.00 0.08 H new ATOM 503 N VAL A 369 -3.404 6.738 -2.918 1.00 0.07 N ATOM 504 CA VAL A 369 -4.571 7.147 -2.191 1.00 0.08 C ATOM 505 C VAL A 369 -4.831 6.124 -1.102 1.00 0.09 C ATOM 506 O VAL A 369 -4.980 4.931 -1.359 1.00 0.10 O ATOM 507 CB VAL A 369 -5.822 7.398 -3.100 1.00 0.08 C ATOM 508 CG1 VAL A 369 -5.553 7.103 -4.581 1.00 0.10 C ATOM 509 CG2 VAL A 369 -7.045 6.632 -2.614 1.00 0.09 C ATOM 0 H VAL A 369 -3.267 5.728 -2.946 1.00 0.07 H new ATOM 0 HA VAL A 369 -4.380 8.121 -1.741 1.00 0.08 H new ATOM 0 HB VAL A 369 -6.035 8.464 -3.018 1.00 0.08 H new ATOM 0 HG11 VAL A 369 -6.456 7.295 -5.160 1.00 0.10 H new ATOM 0 HG12 VAL A 369 -4.748 7.745 -4.940 1.00 0.10 H new ATOM 0 HG13 VAL A 369 -5.263 6.059 -4.697 1.00 0.10 H new ATOM 0 HG21 VAL A 369 -7.888 6.836 -3.274 1.00 0.09 H new ATOM 0 HG22 VAL A 369 -6.831 5.563 -2.619 1.00 0.09 H new ATOM 0 HG23 VAL A 369 -7.293 6.948 -1.601 1.00 0.09 H new ATOM 519 N SER A 370 -4.773 6.611 0.118 1.00 0.09 N ATOM 520 CA SER A 370 -4.925 5.786 1.305 1.00 0.08 C ATOM 521 C SER A 370 -6.391 5.478 1.565 1.00 0.08 C ATOM 522 O SER A 370 -7.227 5.700 0.690 1.00 0.10 O ATOM 523 CB SER A 370 -4.240 6.402 2.530 1.00 0.13 C ATOM 524 OG SER A 370 -3.552 5.411 3.245 1.00 1.26 O ATOM 0 H SER A 370 -4.618 7.599 0.320 1.00 0.09 H new ATOM 0 HA SER A 370 -4.416 4.841 1.116 1.00 0.08 H new ATOM 0 HB2 SER A 370 -3.547 7.182 2.215 1.00 0.13 H new ATOM 0 HB3 SER A 370 -4.983 6.876 3.172 1.00 0.13 H new ATOM 0 HG SER A 370 -4.089 4.591 3.267 1.00 1.26 H new ATOM 530 N GLY A 371 -6.718 4.941 2.720 1.00 0.09 N ATOM 531 CA GLY A 371 -8.078 4.512 2.922 1.00 0.12 C ATOM 532 C GLY A 371 -8.977 5.653 3.353 1.00 0.12 C ATOM 533 O GLY A 371 -8.508 6.732 3.730 1.00 0.14 O ATOM 0 H GLY A 371 -6.085 4.796 3.506 1.00 0.09 H new ATOM 0 HA2 GLY A 371 -8.462 4.078 1.999 1.00 0.12 H new ATOM 0 HA3 GLY A 371 -8.102 3.727 3.678 1.00 0.12 H new ATOM 537 N LYS A 372 -10.271 5.410 3.255 1.00 0.16 N ATOM 538 CA LYS A 372 -11.284 6.458 3.322 1.00 0.16 C ATOM 539 C LYS A 372 -11.423 7.033 4.737 1.00 0.18 C ATOM 540 O LYS A 372 -11.096 6.396 5.727 1.00 0.21 O ATOM 541 CB LYS A 372 -12.610 5.858 2.865 1.00 0.19 C ATOM 542 CG LYS A 372 -13.256 4.985 3.907 1.00 0.27 C ATOM 543 CD LYS A 372 -13.839 3.749 3.285 1.00 0.47 C ATOM 544 CE LYS A 372 -14.955 4.120 2.352 1.00 0.81 C ATOM 545 NZ LYS A 372 -15.493 2.951 1.609 1.00 0.79 N1+ ATOM 0 H LYS A 372 -10.656 4.474 3.126 1.00 0.16 H new ATOM 0 HA LYS A 372 -10.986 7.283 2.675 1.00 0.16 H new ATOM 0 HB2 LYS A 372 -13.294 6.664 2.601 1.00 0.19 H new ATOM 0 HB3 LYS A 372 -12.444 5.272 1.961 1.00 0.19 H new ATOM 0 HG2 LYS A 372 -12.519 4.705 4.660 1.00 0.27 H new ATOM 0 HG3 LYS A 372 -14.040 5.543 4.420 1.00 0.27 H new ATOM 0 HD2 LYS A 372 -13.066 3.206 2.742 1.00 0.47 H new ATOM 0 HD3 LYS A 372 -14.211 3.082 4.062 1.00 0.47 H new ATOM 0 HE2 LYS A 372 -15.760 4.585 2.921 1.00 0.81 H new ATOM 0 HE3 LYS A 372 -14.596 4.864 1.641 1.00 0.81 H new ATOM 0 HZ1 LYS A 372 -16.500 3.106 1.399 1.00 0.79 H new ATOM 0 HZ2 LYS A 372 -14.968 2.834 0.719 1.00 0.79 H new ATOM 0 HZ3 LYS A 372 -15.389 2.094 2.188 1.00 0.79 H new ATOM 559 N PRO A 373 -11.923 8.290 4.805 1.00 0.19 N ATOM 560 CA PRO A 373 -12.065 9.092 6.039 1.00 0.21 C ATOM 561 C PRO A 373 -12.850 8.404 7.110 1.00 0.24 C ATOM 562 O PRO A 373 -12.707 8.684 8.296 1.00 0.28 O ATOM 563 CB PRO A 373 -12.906 10.260 5.571 1.00 0.23 C ATOM 564 CG PRO A 373 -12.518 10.442 4.174 1.00 0.21 C ATOM 565 CD PRO A 373 -12.396 9.053 3.641 1.00 0.19 C ATOM 0 HA PRO A 373 -11.088 9.321 6.464 1.00 0.21 H new ATOM 0 HB2 PRO A 373 -13.971 10.047 5.664 1.00 0.23 H new ATOM 0 HB3 PRO A 373 -12.707 11.156 6.160 1.00 0.23 H new ATOM 0 HG2 PRO A 373 -13.266 11.015 3.625 1.00 0.21 H new ATOM 0 HG3 PRO A 373 -11.576 10.984 4.090 1.00 0.21 H new ATOM 0 HD2 PRO A 373 -13.351 8.677 3.273 1.00 0.19 H new ATOM 0 HD3 PRO A 373 -11.692 9.000 2.811 1.00 0.19 H new ATOM 573 N THR A 374 -13.749 7.575 6.645 1.00 0.25 N ATOM 574 CA THR A 374 -14.670 6.876 7.513 1.00 0.28 C ATOM 575 C THR A 374 -13.914 5.841 8.324 1.00 0.30 C ATOM 576 O THR A 374 -14.232 5.559 9.480 1.00 0.33 O ATOM 577 CB THR A 374 -15.781 6.176 6.702 1.00 0.29 C ATOM 578 OG1 THR A 374 -15.278 4.995 6.076 1.00 0.29 O ATOM 579 CG2 THR A 374 -16.305 7.104 5.631 1.00 0.29 C ATOM 0 H THR A 374 -13.866 7.363 5.654 1.00 0.25 H new ATOM 0 HA THR A 374 -15.135 7.606 8.175 1.00 0.28 H new ATOM 0 HB THR A 374 -16.583 5.910 7.390 1.00 0.29 H new ATOM 0 HG1 THR A 374 -15.779 4.823 5.252 1.00 0.29 H new ATOM 0 HG21 THR A 374 -17.088 6.600 5.065 1.00 0.29 H new ATOM 0 HG22 THR A 374 -16.713 8.002 6.095 1.00 0.29 H new ATOM 0 HG23 THR A 374 -15.492 7.380 4.959 1.00 0.29 H new ATOM 587 N THR A 375 -12.902 5.290 7.681 1.00 0.28 N ATOM 588 CA THR A 375 -12.046 4.281 8.265 1.00 0.31 C ATOM 589 C THR A 375 -10.613 4.503 7.807 1.00 0.29 C ATOM 590 O THR A 375 -10.030 3.771 7.004 1.00 0.29 O ATOM 591 CB THR A 375 -12.563 2.895 7.930 1.00 0.34 C ATOM 592 OG1 THR A 375 -11.612 1.880 8.283 1.00 0.39 O ATOM 593 CG2 THR A 375 -12.935 2.820 6.458 1.00 0.31 C ATOM 0 H THR A 375 -12.650 5.536 6.724 1.00 0.28 H new ATOM 0 HA THR A 375 -12.057 4.363 9.352 1.00 0.31 H new ATOM 0 HB THR A 375 -13.459 2.709 8.522 1.00 0.34 H new ATOM 0 HG1 THR A 375 -11.925 1.011 7.957 1.00 0.39 H new ATOM 0 HG21 THR A 375 -13.305 1.821 6.227 1.00 0.31 H new ATOM 0 HG22 THR A 375 -13.711 3.554 6.241 1.00 0.31 H new ATOM 0 HG23 THR A 375 -12.056 3.031 5.849 1.00 0.31 H new ATOM 601 N PRO A 376 -10.080 5.572 8.346 1.00 0.28 N ATOM 602 CA PRO A 376 -8.806 6.172 7.991 1.00 0.26 C ATOM 603 C PRO A 376 -7.626 5.253 8.118 1.00 0.26 C ATOM 604 O PRO A 376 -7.603 4.349 8.958 1.00 0.38 O ATOM 605 CB PRO A 376 -8.709 7.315 8.991 1.00 0.29 C ATOM 606 CG PRO A 376 -10.101 7.646 9.247 1.00 0.32 C ATOM 607 CD PRO A 376 -10.739 6.324 9.385 1.00 0.32 C ATOM 0 HA PRO A 376 -8.777 6.464 6.941 1.00 0.26 H new ATOM 0 HB2 PRO A 376 -8.192 7.012 9.902 1.00 0.29 H new ATOM 0 HB3 PRO A 376 -8.161 8.164 8.582 1.00 0.29 H new ATOM 0 HG2 PRO A 376 -10.213 8.244 10.151 1.00 0.32 H new ATOM 0 HG3 PRO A 376 -10.536 8.220 8.429 1.00 0.32 H new ATOM 0 HD2 PRO A 376 -10.574 5.891 10.371 1.00 0.32 H new ATOM 0 HD3 PRO A 376 -11.817 6.372 9.234 1.00 0.32 H new ATOM 615 N THR A 377 -6.637 5.488 7.285 1.00 0.17 N ATOM 616 CA THR A 377 -5.415 4.761 7.401 1.00 0.21 C ATOM 617 C THR A 377 -4.587 5.371 8.545 1.00 0.17 C ATOM 618 O THR A 377 -4.636 6.577 8.792 1.00 0.21 O ATOM 619 CB THR A 377 -4.641 4.722 6.058 1.00 0.33 C ATOM 620 OG1 THR A 377 -4.336 3.365 5.717 1.00 0.82 O ATOM 621 CG2 THR A 377 -3.352 5.515 6.109 1.00 0.22 C ATOM 0 H THR A 377 -6.664 6.173 6.530 1.00 0.17 H new ATOM 0 HA THR A 377 -5.629 3.720 7.642 1.00 0.21 H new ATOM 0 HB THR A 377 -5.284 5.176 5.304 1.00 0.33 H new ATOM 0 HG1 THR A 377 -5.055 2.998 5.161 1.00 0.82 H new ATOM 0 HG21 THR A 377 -2.849 5.455 5.144 1.00 0.22 H new ATOM 0 HG22 THR A 377 -3.575 6.557 6.338 1.00 0.22 H new ATOM 0 HG23 THR A 377 -2.703 5.105 6.882 1.00 0.22 H new ATOM 629 N PRO A 378 -3.852 4.521 9.275 1.00 0.14 N ATOM 630 CA PRO A 378 -3.199 4.864 10.543 1.00 0.15 C ATOM 631 C PRO A 378 -1.939 5.674 10.335 1.00 0.13 C ATOM 632 O PRO A 378 -1.717 6.689 10.993 1.00 0.16 O ATOM 633 CB PRO A 378 -2.828 3.473 11.099 1.00 0.17 C ATOM 634 CG PRO A 378 -3.616 2.519 10.279 1.00 0.19 C ATOM 635 CD PRO A 378 -3.571 3.136 8.934 1.00 0.17 C ATOM 0 HA PRO A 378 -3.833 5.469 11.191 1.00 0.15 H new ATOM 0 HB2 PRO A 378 -1.758 3.283 11.010 1.00 0.17 H new ATOM 0 HB3 PRO A 378 -3.080 3.389 12.156 1.00 0.17 H new ATOM 0 HG2 PRO A 378 -3.176 1.522 10.282 1.00 0.19 H new ATOM 0 HG3 PRO A 378 -4.638 2.418 10.645 1.00 0.19 H new ATOM 0 HD2 PRO A 378 -2.600 3.015 8.454 1.00 0.17 H new ATOM 0 HD3 PRO A 378 -4.316 2.715 8.258 1.00 0.17 H new ATOM 643 N ALA A 379 -1.145 5.211 9.393 1.00 0.11 N ATOM 644 CA ALA A 379 0.178 5.729 9.130 1.00 0.10 C ATOM 645 C ALA A 379 1.122 5.611 10.313 1.00 0.10 C ATOM 646 O ALA A 379 0.792 5.876 11.472 1.00 0.13 O ATOM 647 CB ALA A 379 0.148 7.136 8.585 1.00 0.11 C ATOM 0 H ALA A 379 -1.410 4.445 8.774 1.00 0.11 H new ATOM 0 HA ALA A 379 0.585 5.085 8.351 1.00 0.10 H new ATOM 0 HB1 ALA A 379 1.167 7.478 8.405 1.00 0.11 H new ATOM 0 HB2 ALA A 379 -0.411 7.152 7.649 1.00 0.11 H new ATOM 0 HB3 ALA A 379 -0.334 7.796 9.307 1.00 0.11 H new ATOM 653 N GLY A 380 2.308 5.208 9.953 1.00 0.10 N ATOM 654 CA GLY A 380 3.380 4.975 10.870 1.00 0.11 C ATOM 655 C GLY A 380 4.313 3.940 10.301 1.00 0.12 C ATOM 656 O GLY A 380 4.940 4.167 9.268 1.00 0.20 O ATOM 0 H GLY A 380 2.560 5.028 8.981 1.00 0.10 H new ATOM 0 HA2 GLY A 380 3.920 5.903 11.057 1.00 0.11 H new ATOM 0 HA3 GLY A 380 2.986 4.637 11.828 1.00 0.11 H new ATOM 660 N VAL A 381 4.365 2.787 10.939 1.00 0.12 N ATOM 661 CA VAL A 381 5.195 1.699 10.476 1.00 0.13 C ATOM 662 C VAL A 381 4.397 0.385 10.421 1.00 0.15 C ATOM 663 O VAL A 381 3.875 -0.104 11.428 1.00 0.25 O ATOM 664 CB VAL A 381 6.437 1.574 11.378 1.00 0.17 C ATOM 665 CG1 VAL A 381 6.107 0.979 12.739 1.00 0.79 C ATOM 666 CG2 VAL A 381 7.539 0.789 10.681 1.00 0.82 C ATOM 0 H VAL A 381 3.836 2.582 11.787 1.00 0.12 H new ATOM 0 HA VAL A 381 5.530 1.912 9.461 1.00 0.13 H new ATOM 0 HB VAL A 381 6.803 2.584 11.561 1.00 0.17 H new ATOM 0 HG11 VAL A 381 7.016 0.912 13.337 1.00 0.79 H new ATOM 0 HG12 VAL A 381 5.384 1.615 13.249 1.00 0.79 H new ATOM 0 HG13 VAL A 381 5.685 -0.017 12.608 1.00 0.79 H new ATOM 0 HG21 VAL A 381 8.405 0.715 11.339 1.00 0.82 H new ATOM 0 HG22 VAL A 381 7.178 -0.211 10.442 1.00 0.82 H new ATOM 0 HG23 VAL A 381 7.824 1.301 9.762 1.00 0.82 H new ATOM 676 N PHE A 382 4.246 -0.144 9.221 1.00 0.09 N ATOM 677 CA PHE A 382 3.636 -1.443 9.014 1.00 0.09 C ATOM 678 C PHE A 382 4.714 -2.363 8.411 1.00 0.09 C ATOM 679 O PHE A 382 5.871 -1.954 8.321 1.00 0.10 O ATOM 680 CB PHE A 382 2.376 -1.356 8.133 1.00 0.10 C ATOM 681 CG PHE A 382 1.509 -0.139 8.380 1.00 0.11 C ATOM 682 CD1 PHE A 382 1.212 0.277 9.677 1.00 0.18 C ATOM 683 CD2 PHE A 382 0.984 0.589 7.322 1.00 0.12 C ATOM 684 CE1 PHE A 382 0.418 1.379 9.898 1.00 0.22 C ATOM 685 CE2 PHE A 382 0.184 1.694 7.548 1.00 0.15 C ATOM 686 CZ PHE A 382 -0.070 2.107 8.831 1.00 0.18 C ATOM 0 H PHE A 382 4.544 0.317 8.361 1.00 0.09 H new ATOM 0 HA PHE A 382 3.287 -1.853 9.962 1.00 0.09 H new ATOM 0 HB2 PHE A 382 2.681 -1.361 7.087 1.00 0.10 H new ATOM 0 HB3 PHE A 382 1.775 -2.251 8.294 1.00 0.10 H new ATOM 0 HD1 PHE A 382 1.610 -0.272 10.518 1.00 0.18 H new ATOM 0 HD2 PHE A 382 1.203 0.289 6.308 1.00 0.12 H new ATOM 0 HE1 PHE A 382 0.176 1.675 10.908 1.00 0.22 H new ATOM 0 HE2 PHE A 382 -0.241 2.232 6.714 1.00 0.15 H new ATOM 0 HZ PHE A 382 -0.651 3.000 9.006 1.00 0.18 H new ATOM 696 N TYR A 383 4.399 -3.587 8.014 1.00 0.11 N ATOM 697 CA TYR A 383 5.470 -4.499 7.597 1.00 0.11 C ATOM 698 C TYR A 383 5.098 -5.363 6.392 1.00 0.11 C ATOM 699 O TYR A 383 4.089 -6.064 6.405 1.00 0.13 O ATOM 700 CB TYR A 383 5.798 -5.400 8.778 1.00 0.13 C ATOM 701 CG TYR A 383 7.262 -5.718 8.908 1.00 0.21 C ATOM 702 CD1 TYR A 383 8.172 -4.723 9.236 1.00 0.25 C ATOM 703 CD2 TYR A 383 7.732 -7.007 8.718 1.00 0.37 C ATOM 704 CE1 TYR A 383 9.512 -5.003 9.373 1.00 0.39 C ATOM 705 CE2 TYR A 383 9.073 -7.300 8.850 1.00 0.49 C ATOM 706 CZ TYR A 383 9.961 -6.291 9.182 1.00 0.50 C ATOM 707 OH TYR A 383 11.303 -6.569 9.317 1.00 0.65 O ATOM 0 H TYR A 383 3.453 -3.967 7.969 1.00 0.11 H new ATOM 0 HA TYR A 383 6.324 -3.895 7.290 1.00 0.11 H new ATOM 0 HB2 TYR A 383 5.457 -4.920 9.695 1.00 0.13 H new ATOM 0 HB3 TYR A 383 5.240 -6.331 8.679 1.00 0.13 H new ATOM 0 HD1 TYR A 383 7.823 -3.712 9.386 1.00 0.25 H new ATOM 0 HD2 TYR A 383 7.038 -7.794 8.463 1.00 0.37 H new ATOM 0 HE1 TYR A 383 10.208 -4.218 9.629 1.00 0.39 H new ATOM 0 HE2 TYR A 383 9.428 -8.308 8.696 1.00 0.49 H new ATOM 0 HH TYR A 383 11.761 -6.389 8.470 1.00 0.65 H new ATOM 717 N VAL A 384 5.928 -5.306 5.342 1.00 0.09 N ATOM 718 CA VAL A 384 5.803 -6.245 4.233 1.00 0.09 C ATOM 719 C VAL A 384 6.669 -7.448 4.490 1.00 0.13 C ATOM 720 O VAL A 384 7.855 -7.512 4.151 1.00 0.16 O ATOM 721 CB VAL A 384 6.130 -5.660 2.844 1.00 0.07 C ATOM 722 CG1 VAL A 384 7.403 -4.863 2.873 1.00 0.07 C ATOM 723 CG2 VAL A 384 6.223 -6.771 1.791 1.00 0.08 C ATOM 0 H VAL A 384 6.682 -4.627 5.242 1.00 0.09 H new ATOM 0 HA VAL A 384 4.748 -6.515 4.196 1.00 0.09 H new ATOM 0 HB VAL A 384 5.315 -4.989 2.571 1.00 0.07 H new ATOM 0 HG11 VAL A 384 7.605 -4.464 1.879 1.00 0.07 H new ATOM 0 HG12 VAL A 384 7.301 -4.040 3.580 1.00 0.07 H new ATOM 0 HG13 VAL A 384 8.228 -5.506 3.181 1.00 0.07 H new ATOM 0 HG21 VAL A 384 6.454 -6.333 0.820 1.00 0.08 H new ATOM 0 HG22 VAL A 384 7.010 -7.472 2.070 1.00 0.08 H new ATOM 0 HG23 VAL A 384 5.271 -7.299 1.734 1.00 0.08 H new ATOM 733 N TRP A 385 6.048 -8.409 5.090 1.00 0.18 N ATOM 734 CA TRP A 385 6.689 -9.661 5.365 1.00 0.23 C ATOM 735 C TRP A 385 6.389 -10.606 4.218 1.00 0.12 C ATOM 736 O TRP A 385 6.652 -11.806 4.280 1.00 0.21 O ATOM 737 CB TRP A 385 6.261 -10.213 6.729 1.00 0.48 C ATOM 738 CG TRP A 385 4.774 -10.345 6.887 1.00 0.45 C ATOM 739 CD1 TRP A 385 3.869 -9.329 7.055 1.00 0.57 C ATOM 740 CD2 TRP A 385 4.017 -11.558 6.908 1.00 1.08 C ATOM 741 NE1 TRP A 385 2.606 -9.841 7.166 1.00 1.17 N ATOM 742 CE2 TRP A 385 2.668 -11.201 7.081 1.00 1.54 C ATOM 743 CE3 TRP A 385 4.344 -12.912 6.792 1.00 1.37 C ATOM 744 CZ2 TRP A 385 1.652 -12.139 7.142 1.00 2.27 C ATOM 745 CZ3 TRP A 385 3.328 -13.848 6.854 1.00 2.11 C ATOM 746 CH2 TRP A 385 1.995 -13.457 7.027 1.00 2.55 C ATOM 0 H TRP A 385 5.080 -8.352 5.406 1.00 0.18 H new ATOM 0 HA TRP A 385 7.769 -9.533 5.433 1.00 0.23 H new ATOM 0 HB2 TRP A 385 6.721 -11.190 6.876 1.00 0.48 H new ATOM 0 HB3 TRP A 385 6.644 -9.559 7.512 1.00 0.48 H new ATOM 0 HD1 TRP A 385 4.117 -8.279 7.094 1.00 0.57 H new ATOM 0 HE1 TRP A 385 1.754 -9.294 7.292 1.00 1.17 H new ATOM 0 HE3 TRP A 385 5.370 -13.221 6.657 1.00 1.37 H new ATOM 0 HZ2 TRP A 385 0.623 -11.840 7.276 1.00 2.27 H new ATOM 0 HZ3 TRP A 385 3.567 -14.898 6.768 1.00 2.11 H new ATOM 0 HH2 TRP A 385 1.223 -14.211 7.070 1.00 2.55 H new ATOM 757 N ASN A 386 5.834 -10.013 3.158 1.00 0.10 N ATOM 758 CA ASN A 386 5.621 -10.699 1.893 1.00 0.14 C ATOM 759 C ASN A 386 5.224 -9.704 0.811 1.00 0.11 C ATOM 760 O ASN A 386 4.310 -8.912 0.977 1.00 0.12 O ATOM 761 CB ASN A 386 4.531 -11.760 2.040 1.00 0.27 C ATOM 762 CG ASN A 386 4.327 -12.558 0.764 1.00 0.33 C ATOM 763 OD1 ASN A 386 4.996 -13.564 0.539 1.00 0.43 O ATOM 764 ND2 ASN A 386 3.403 -12.118 -0.072 1.00 0.31 N ATOM 0 H ASN A 386 5.521 -9.042 3.159 1.00 0.10 H new ATOM 0 HA ASN A 386 6.554 -11.184 1.605 1.00 0.14 H new ATOM 0 HB2 ASN A 386 4.794 -12.438 2.852 1.00 0.27 H new ATOM 0 HB3 ASN A 386 3.594 -11.278 2.318 1.00 0.27 H new ATOM 0 HD21 ASN A 386 3.223 -12.618 -0.942 1.00 0.31 H new ATOM 0 HD22 ASN A 386 2.870 -11.278 0.153 1.00 0.31 H new ATOM 771 N LYS A 387 5.954 -9.750 -0.283 1.00 0.11 N ATOM 772 CA LYS A 387 5.605 -9.045 -1.516 1.00 0.09 C ATOM 773 C LYS A 387 4.941 -10.020 -2.469 1.00 0.08 C ATOM 774 O LYS A 387 5.304 -11.195 -2.504 1.00 0.13 O ATOM 775 CB LYS A 387 6.855 -8.427 -2.169 1.00 0.13 C ATOM 776 CG LYS A 387 8.172 -8.804 -1.507 1.00 0.38 C ATOM 777 CD LYS A 387 8.491 -10.258 -1.730 1.00 0.20 C ATOM 778 CE LYS A 387 9.055 -10.506 -3.107 1.00 0.40 C ATOM 779 NZ LYS A 387 9.518 -11.908 -3.289 1.00 1.12 N1+ ATOM 0 H LYS A 387 6.821 -10.284 -0.350 1.00 0.11 H new ATOM 0 HA LYS A 387 4.917 -8.233 -1.281 1.00 0.09 H new ATOM 0 HB2 LYS A 387 6.890 -8.732 -3.215 1.00 0.13 H new ATOM 0 HB3 LYS A 387 6.756 -7.342 -2.156 1.00 0.13 H new ATOM 0 HG2 LYS A 387 8.975 -8.186 -1.909 1.00 0.38 H new ATOM 0 HG3 LYS A 387 8.117 -8.600 -0.438 1.00 0.38 H new ATOM 0 HD2 LYS A 387 9.207 -10.592 -0.979 1.00 0.20 H new ATOM 0 HD3 LYS A 387 7.587 -10.853 -1.595 1.00 0.20 H new ATOM 0 HE2 LYS A 387 8.295 -10.278 -3.854 1.00 0.40 H new ATOM 0 HE3 LYS A 387 9.888 -9.826 -3.283 1.00 0.40 H new ATOM 0 HZ1 LYS A 387 9.896 -12.027 -4.250 1.00 1.12 H new ATOM 0 HZ2 LYS A 387 10.263 -12.120 -2.595 1.00 1.12 H new ATOM 0 HZ3 LYS A 387 8.719 -12.559 -3.149 1.00 1.12 H new ATOM 793 N GLU A 388 3.978 -9.531 -3.238 1.00 0.09 N ATOM 794 CA GLU A 388 3.110 -10.402 -4.024 1.00 0.10 C ATOM 795 C GLU A 388 3.066 -10.090 -5.502 1.00 0.10 C ATOM 796 O GLU A 388 3.346 -8.980 -5.939 1.00 0.10 O ATOM 797 CB GLU A 388 1.709 -10.292 -3.481 1.00 0.09 C ATOM 798 CG GLU A 388 1.410 -11.303 -2.459 1.00 0.15 C ATOM 799 CD GLU A 388 1.454 -12.716 -3.002 1.00 0.38 C ATOM 800 OE1 GLU A 388 0.460 -13.152 -3.621 1.00 0.69 O ATOM 801 OE2 GLU A 388 2.484 -13.395 -2.822 1.00 0.71 O1- ATOM 0 H GLU A 388 3.777 -8.536 -3.336 1.00 0.09 H new ATOM 0 HA GLU A 388 3.527 -11.405 -3.934 1.00 0.10 H new ATOM 0 HB2 GLU A 388 1.567 -9.299 -3.055 1.00 0.09 H new ATOM 0 HB3 GLU A 388 0.998 -10.391 -4.301 1.00 0.09 H new ATOM 0 HG2 GLU A 388 2.126 -11.210 -1.642 1.00 0.15 H new ATOM 0 HG3 GLU A 388 0.422 -11.110 -2.041 1.00 0.15 H new ATOM 808 N GLU A 389 2.673 -11.116 -6.232 1.00 0.10 N ATOM 809 CA GLU A 389 2.415 -11.065 -7.648 1.00 0.11 C ATOM 810 C GLU A 389 1.157 -11.842 -7.931 1.00 0.16 C ATOM 811 O GLU A 389 1.043 -13.006 -7.536 1.00 0.28 O ATOM 812 CB GLU A 389 3.543 -11.673 -8.448 1.00 0.14 C ATOM 813 CG GLU A 389 4.759 -10.801 -8.536 1.00 0.16 C ATOM 814 CD GLU A 389 5.890 -11.469 -9.289 1.00 0.27 C ATOM 815 OE1 GLU A 389 6.302 -12.584 -8.894 1.00 0.33 O1- ATOM 816 OE2 GLU A 389 6.378 -10.883 -10.277 1.00 0.38 O ATOM 0 H GLU A 389 2.520 -12.042 -5.834 1.00 0.10 H new ATOM 0 HA GLU A 389 2.316 -10.019 -7.939 1.00 0.11 H new ATOM 0 HB2 GLU A 389 3.822 -12.626 -7.999 1.00 0.14 H new ATOM 0 HB3 GLU A 389 3.187 -11.888 -9.456 1.00 0.14 H new ATOM 0 HG2 GLU A 389 4.498 -9.866 -9.031 1.00 0.16 H new ATOM 0 HG3 GLU A 389 5.095 -10.547 -7.531 1.00 0.16 H new ATOM 823 N ASP A 390 0.234 -11.195 -8.611 1.00 0.12 N ATOM 824 CA ASP A 390 -1.069 -11.773 -8.898 1.00 0.15 C ATOM 825 C ASP A 390 -1.714 -12.227 -7.588 1.00 0.16 C ATOM 826 O ASP A 390 -2.144 -13.365 -7.407 1.00 0.25 O ATOM 827 CB ASP A 390 -0.896 -12.898 -9.909 1.00 0.19 C ATOM 828 CG ASP A 390 -2.190 -13.627 -10.233 1.00 0.28 C ATOM 829 OD1 ASP A 390 -3.064 -13.031 -10.899 1.00 0.41 O ATOM 830 OD2 ASP A 390 -2.342 -14.797 -9.823 1.00 0.36 O1- ATOM 0 H ASP A 390 0.362 -10.254 -8.982 1.00 0.12 H new ATOM 0 HA ASP A 390 -1.743 -11.042 -9.345 1.00 0.15 H new ATOM 0 HB2 ASP A 390 -0.479 -12.488 -10.829 1.00 0.19 H new ATOM 0 HB3 ASP A 390 -0.171 -13.615 -9.522 1.00 0.19 H new ATOM 835 N ALA A 391 -1.710 -11.285 -6.661 1.00 0.12 N ATOM 836 CA ALA A 391 -2.305 -11.430 -5.351 1.00 0.11 C ATOM 837 C ALA A 391 -3.775 -11.119 -5.436 1.00 0.10 C ATOM 838 O ALA A 391 -4.239 -10.594 -6.431 1.00 0.11 O ATOM 839 CB ALA A 391 -1.658 -10.446 -4.413 1.00 0.10 C ATOM 0 H ALA A 391 -1.279 -10.372 -6.807 1.00 0.12 H new ATOM 0 HA ALA A 391 -2.161 -12.449 -4.991 1.00 0.11 H new ATOM 0 HB1 ALA A 391 -2.098 -10.545 -3.421 1.00 0.10 H new ATOM 0 HB2 ALA A 391 -0.588 -10.646 -4.357 1.00 0.10 H new ATOM 0 HB3 ALA A 391 -1.818 -9.433 -4.781 1.00 0.10 H new ATOM 845 N THR A 392 -4.520 -11.451 -4.421 1.00 0.11 N ATOM 846 CA THR A 392 -5.892 -11.005 -4.366 1.00 0.11 C ATOM 847 C THR A 392 -6.239 -10.426 -3.017 1.00 0.11 C ATOM 848 O THR A 392 -6.182 -11.091 -1.984 1.00 0.14 O ATOM 849 CB THR A 392 -6.893 -12.105 -4.748 1.00 0.15 C ATOM 850 OG1 THR A 392 -6.504 -12.715 -5.984 1.00 0.17 O ATOM 851 CG2 THR A 392 -8.285 -11.518 -4.900 1.00 0.15 C ATOM 0 H THR A 392 -4.213 -12.018 -3.631 1.00 0.11 H new ATOM 0 HA THR A 392 -5.976 -10.216 -5.113 1.00 0.11 H new ATOM 0 HB THR A 392 -6.900 -12.855 -3.957 1.00 0.15 H new ATOM 0 HG1 THR A 392 -7.147 -13.416 -6.219 1.00 0.17 H new ATOM 0 HG21 THR A 392 -8.985 -12.308 -5.171 1.00 0.15 H new ATOM 0 HG22 THR A 392 -8.594 -11.066 -3.957 1.00 0.15 H new ATOM 0 HG23 THR A 392 -8.276 -10.758 -5.681 1.00 0.15 H new ATOM 859 N LEU A 393 -6.601 -9.172 -3.064 1.00 0.10 N ATOM 860 CA LEU A 393 -6.964 -8.407 -1.886 1.00 0.12 C ATOM 861 C LEU A 393 -8.362 -8.694 -1.436 1.00 0.15 C ATOM 862 O LEU A 393 -9.323 -8.042 -1.837 1.00 0.16 O ATOM 863 CB LEU A 393 -6.829 -6.949 -2.204 1.00 0.11 C ATOM 864 CG LEU A 393 -5.445 -6.352 -2.087 1.00 0.25 C ATOM 865 CD1 LEU A 393 -4.417 -7.315 -2.605 1.00 0.57 C ATOM 866 CD2 LEU A 393 -5.396 -5.090 -2.896 1.00 0.51 C ATOM 0 H LEU A 393 -6.655 -8.639 -3.932 1.00 0.10 H new ATOM 0 HA LEU A 393 -6.297 -8.692 -1.073 1.00 0.12 H new ATOM 0 HB2 LEU A 393 -7.183 -6.789 -3.222 1.00 0.11 H new ATOM 0 HB3 LEU A 393 -7.496 -6.394 -1.544 1.00 0.11 H new ATOM 0 HG LEU A 393 -5.230 -6.140 -1.040 1.00 0.25 H new ATOM 0 HD11 LEU A 393 -3.425 -6.872 -2.515 1.00 0.57 H new ATOM 0 HD12 LEU A 393 -4.457 -8.237 -2.025 1.00 0.57 H new ATOM 0 HD13 LEU A 393 -4.621 -7.537 -3.652 1.00 0.57 H new ATOM 0 HD21 LEU A 393 -4.402 -4.648 -2.821 1.00 0.51 H new ATOM 0 HD22 LEU A 393 -5.614 -5.318 -3.939 1.00 0.51 H new ATOM 0 HD23 LEU A 393 -6.136 -4.386 -2.516 1.00 0.51 H new ATOM 878 N LYS A 394 -8.445 -9.676 -0.616 1.00 0.18 N ATOM 879 CA LYS A 394 -9.680 -10.087 -0.013 1.00 0.23 C ATOM 880 C LYS A 394 -9.824 -9.628 1.403 1.00 0.29 C ATOM 881 O LYS A 394 -8.951 -8.956 1.963 1.00 0.29 O ATOM 882 CB LYS A 394 -9.678 -11.552 -0.063 1.00 0.25 C ATOM 883 CG LYS A 394 -9.665 -12.000 -1.450 1.00 0.23 C ATOM 884 CD LYS A 394 -10.154 -13.351 -1.503 1.00 0.27 C ATOM 885 CE LYS A 394 -9.513 -13.960 -2.668 1.00 0.27 C ATOM 886 NZ LYS A 394 -9.799 -15.410 -2.813 1.00 0.33 N1+ ATOM 0 H LYS A 394 -7.642 -10.237 -0.332 1.00 0.18 H new ATOM 0 HA LYS A 394 -10.517 -9.643 -0.551 1.00 0.23 H new ATOM 0 HB2 LYS A 394 -8.806 -11.941 0.462 1.00 0.25 H new ATOM 0 HB3 LYS A 394 -10.558 -11.943 0.447 1.00 0.25 H new ATOM 0 HG2 LYS A 394 -10.288 -11.349 -2.063 1.00 0.23 H new ATOM 0 HG3 LYS A 394 -8.654 -11.948 -1.854 1.00 0.23 H new ATOM 0 HD2 LYS A 394 -9.905 -13.893 -0.591 1.00 0.27 H new ATOM 0 HD3 LYS A 394 -11.240 -13.371 -1.599 1.00 0.27 H new ATOM 0 HE2 LYS A 394 -9.844 -13.441 -3.567 1.00 0.27 H new ATOM 0 HE3 LYS A 394 -8.435 -13.816 -2.596 1.00 0.27 H new ATOM 0 HZ1 LYS A 394 -9.315 -15.777 -3.657 1.00 0.33 H new ATOM 0 HZ2 LYS A 394 -9.459 -15.917 -1.971 1.00 0.33 H new ATOM 0 HZ3 LYS A 394 -10.824 -15.553 -2.913 1.00 0.33 H new ATOM 900 N GLY A 395 -10.957 -9.970 1.964 1.00 0.34 N ATOM 901 CA GLY A 395 -11.238 -9.564 3.306 1.00 0.41 C ATOM 902 C GLY A 395 -12.656 -9.115 3.454 1.00 0.46 C ATOM 903 O GLY A 395 -13.512 -9.474 2.640 1.00 0.43 O ATOM 0 H GLY A 395 -11.687 -10.522 1.514 1.00 0.34 H new ATOM 0 HA2 GLY A 395 -11.044 -10.393 3.987 1.00 0.41 H new ATOM 0 HA3 GLY A 395 -10.567 -8.754 3.591 1.00 0.41 H new ATOM 907 N THR A 396 -12.919 -8.317 4.466 1.00 0.53 N ATOM 908 CA THR A 396 -14.195 -7.676 4.562 1.00 0.58 C ATOM 909 C THR A 396 -14.038 -6.176 4.522 1.00 0.61 C ATOM 910 O THR A 396 -13.092 -5.630 5.081 1.00 0.66 O ATOM 911 CB THR A 396 -14.968 -8.048 5.834 1.00 0.67 C ATOM 912 OG1 THR A 396 -14.747 -9.426 6.173 1.00 0.69 O ATOM 913 CG2 THR A 396 -16.436 -7.810 5.602 1.00 0.71 C ATOM 0 H THR A 396 -12.269 -8.103 5.222 1.00 0.53 H new ATOM 0 HA THR A 396 -14.768 -8.030 3.705 1.00 0.58 H new ATOM 0 HB THR A 396 -14.617 -7.430 6.660 1.00 0.67 H new ATOM 0 HG1 THR A 396 -15.246 -9.647 6.987 1.00 0.69 H new ATOM 0 HG21 THR A 396 -16.994 -8.072 6.501 1.00 0.71 H new ATOM 0 HG22 THR A 396 -16.601 -6.759 5.366 1.00 0.71 H new ATOM 0 HG23 THR A 396 -16.778 -8.427 4.771 1.00 0.71 H new ATOM 921 N ASN A 397 -14.950 -5.531 3.814 1.00 0.62 N ATOM 922 CA ASN A 397 -15.088 -4.099 3.871 1.00 0.71 C ATOM 923 C ASN A 397 -15.332 -3.696 5.304 1.00 0.84 C ATOM 924 O ASN A 397 -15.878 -4.471 6.093 1.00 0.84 O ATOM 925 CB ASN A 397 -16.278 -3.686 3.023 1.00 0.72 C ATOM 926 CG ASN A 397 -15.852 -3.306 1.628 1.00 0.69 C ATOM 927 OD1 ASN A 397 -15.567 -2.146 1.340 1.00 0.77 O ATOM 928 ND2 ASN A 397 -15.787 -4.290 0.757 1.00 0.59 N ATOM 0 H ASN A 397 -15.611 -5.991 3.187 1.00 0.62 H new ATOM 0 HA ASN A 397 -14.186 -3.615 3.497 1.00 0.71 H new ATOM 0 HB2 ASN A 397 -16.995 -4.505 2.976 1.00 0.72 H new ATOM 0 HB3 ASN A 397 -16.787 -2.844 3.492 1.00 0.72 H new ATOM 0 HD21 ASN A 397 -15.490 -4.104 -0.201 1.00 0.59 H new ATOM 0 HD22 ASN A 397 -16.033 -5.239 1.040 1.00 0.59 H new ATOM 935 N ASP A 398 -14.942 -2.474 5.626 1.00 0.97 N ATOM 936 CA ASP A 398 -15.156 -1.899 6.950 1.00 1.13 C ATOM 937 C ASP A 398 -16.633 -1.810 7.266 1.00 1.15 C ATOM 938 O ASP A 398 -17.028 -1.400 8.357 1.00 1.25 O ATOM 939 CB ASP A 398 -14.582 -0.517 6.994 1.00 1.29 C ATOM 940 CG ASP A 398 -13.887 -0.204 8.302 1.00 1.90 C ATOM 941 OD1 ASP A 398 -12.698 -0.564 8.453 1.00 2.28 O ATOM 942 OD2 ASP A 398 -14.524 0.384 9.197 1.00 2.27 O1- ATOM 0 H ASP A 398 -14.466 -1.848 4.976 1.00 0.97 H new ATOM 0 HA ASP A 398 -14.668 -2.542 7.682 1.00 1.13 H new ATOM 0 HB2 ASP A 398 -13.873 -0.398 6.175 1.00 1.29 H new ATOM 0 HB3 ASP A 398 -15.380 0.207 6.831 1.00 1.29 H new ATOM 947 N ASP A 399 -17.436 -2.188 6.292 1.00 1.06 N ATOM 948 CA ASP A 399 -18.872 -2.150 6.419 1.00 1.09 C ATOM 949 C ASP A 399 -19.447 -3.545 6.458 1.00 1.01 C ATOM 950 O ASP A 399 -20.663 -3.740 6.447 1.00 1.05 O ATOM 951 CB ASP A 399 -19.519 -1.370 5.277 1.00 1.09 C ATOM 952 CG ASP A 399 -18.746 -1.447 3.971 1.00 1.65 C ATOM 953 OD1 ASP A 399 -17.720 -0.749 3.838 1.00 2.27 O1- ATOM 954 OD2 ASP A 399 -19.153 -2.216 3.077 1.00 2.15 O ATOM 0 H ASP A 399 -17.107 -2.530 5.389 1.00 1.06 H new ATOM 0 HA ASP A 399 -19.093 -1.641 7.357 1.00 1.09 H new ATOM 0 HB2 ASP A 399 -20.528 -1.750 5.115 1.00 1.09 H new ATOM 0 HB3 ASP A 399 -19.615 -0.325 5.571 1.00 1.09 H new ATOM 959 N GLY A 400 -18.556 -4.519 6.502 1.00 0.94 N ATOM 960 CA GLY A 400 -18.968 -5.865 6.766 1.00 0.92 C ATOM 961 C GLY A 400 -19.319 -6.607 5.524 1.00 0.84 C ATOM 962 O GLY A 400 -19.958 -7.656 5.560 1.00 0.90 O ATOM 0 H GLY A 400 -17.554 -4.395 6.358 1.00 0.94 H new ATOM 0 HA2 GLY A 400 -18.168 -6.391 7.286 1.00 0.92 H new ATOM 0 HA3 GLY A 400 -19.829 -5.854 7.434 1.00 0.92 H new ATOM 966 N THR A 401 -18.860 -6.071 4.430 1.00 0.76 N ATOM 967 CA THR A 401 -19.178 -6.595 3.133 1.00 0.68 C ATOM 968 C THR A 401 -17.914 -7.165 2.490 1.00 0.60 C ATOM 969 O THR A 401 -17.045 -6.431 2.021 1.00 0.57 O ATOM 970 CB THR A 401 -19.833 -5.493 2.271 1.00 0.70 C ATOM 971 OG1 THR A 401 -18.858 -4.579 1.758 1.00 0.69 O ATOM 972 CG2 THR A 401 -20.812 -4.711 3.124 1.00 0.81 C ATOM 0 H THR A 401 -18.251 -5.253 4.413 1.00 0.76 H new ATOM 0 HA THR A 401 -19.898 -7.409 3.219 1.00 0.68 H new ATOM 0 HB THR A 401 -20.337 -5.977 1.434 1.00 0.70 H new ATOM 0 HG1 THR A 401 -18.934 -3.722 2.228 1.00 0.69 H new ATOM 0 HG21 THR A 401 -21.278 -3.931 2.521 1.00 0.81 H new ATOM 0 HG22 THR A 401 -21.581 -5.383 3.505 1.00 0.81 H new ATOM 0 HG23 THR A 401 -20.282 -4.255 3.960 1.00 0.81 H new ATOM 980 N PRO A 402 -17.755 -8.488 2.533 1.00 0.57 N ATOM 981 CA PRO A 402 -16.565 -9.156 2.021 1.00 0.50 C ATOM 982 C PRO A 402 -16.303 -8.850 0.569 1.00 0.44 C ATOM 983 O PRO A 402 -17.213 -8.508 -0.192 1.00 0.46 O ATOM 984 CB PRO A 402 -16.873 -10.624 2.215 1.00 0.53 C ATOM 985 CG PRO A 402 -18.335 -10.710 2.397 1.00 0.60 C ATOM 986 CD PRO A 402 -18.713 -9.453 3.087 1.00 0.63 C ATOM 0 HA PRO A 402 -15.663 -8.826 2.537 1.00 0.50 H new ATOM 0 HB2 PRO A 402 -16.552 -11.208 1.352 1.00 0.53 H new ATOM 0 HB3 PRO A 402 -16.347 -11.022 3.083 1.00 0.53 H new ATOM 0 HG2 PRO A 402 -18.847 -10.803 1.439 1.00 0.60 H new ATOM 0 HG3 PRO A 402 -18.608 -11.583 2.990 1.00 0.60 H new ATOM 0 HD2 PRO A 402 -19.744 -9.168 2.876 1.00 0.63 H new ATOM 0 HD3 PRO A 402 -18.621 -9.541 4.170 1.00 0.63 H new ATOM 994 N TYR A 403 -15.046 -8.945 0.202 1.00 0.37 N ATOM 995 CA TYR A 403 -14.625 -8.502 -1.113 1.00 0.33 C ATOM 996 C TYR A 403 -13.378 -9.196 -1.591 1.00 0.27 C ATOM 997 O TYR A 403 -12.712 -9.915 -0.844 1.00 0.27 O ATOM 998 CB TYR A 403 -14.345 -7.005 -1.114 1.00 0.35 C ATOM 999 CG TYR A 403 -13.165 -6.632 -0.243 1.00 0.35 C ATOM 1000 CD1 TYR A 403 -13.277 -6.617 1.145 1.00 0.40 C ATOM 1001 CD2 TYR A 403 -11.943 -6.285 -0.804 1.00 0.32 C ATOM 1002 CE1 TYR A 403 -12.210 -6.272 1.945 1.00 0.42 C ATOM 1003 CE2 TYR A 403 -10.873 -5.937 -0.003 1.00 0.33 C ATOM 1004 CZ TYR A 403 -10.988 -5.961 1.344 1.00 0.37 C ATOM 1005 OH TYR A 403 -9.952 -5.570 2.156 1.00 0.41 O ATOM 0 H TYR A 403 -14.300 -9.321 0.788 1.00 0.37 H new ATOM 0 HA TYR A 403 -15.448 -8.749 -1.784 1.00 0.33 H new ATOM 0 HB2 TYR A 403 -14.156 -6.675 -2.136 1.00 0.35 H new ATOM 0 HB3 TYR A 403 -15.231 -6.473 -0.766 1.00 0.35 H new ATOM 0 HD1 TYR A 403 -14.219 -6.881 1.603 1.00 0.40 H new ATOM 0 HD2 TYR A 403 -11.828 -6.287 -1.878 1.00 0.32 H new ATOM 0 HE1 TYR A 403 -12.317 -6.242 3.019 1.00 0.42 H new ATOM 0 HE2 TYR A 403 -9.938 -5.644 -0.456 1.00 0.33 H new ATOM 0 HH TYR A 403 -9.538 -6.360 2.562 1.00 0.41 H new ATOM 1015 N GLU A 404 -13.050 -8.903 -2.833 1.00 0.25 N ATOM 1016 CA GLU A 404 -11.804 -9.320 -3.429 1.00 0.21 C ATOM 1017 C GLU A 404 -11.295 -8.251 -4.366 1.00 0.20 C ATOM 1018 O GLU A 404 -12.072 -7.518 -4.972 1.00 0.23 O ATOM 1019 CB GLU A 404 -11.976 -10.605 -4.220 1.00 0.22 C ATOM 1020 CG GLU A 404 -12.179 -11.832 -3.360 1.00 0.24 C ATOM 1021 CD GLU A 404 -13.495 -12.528 -3.627 1.00 0.31 C ATOM 1022 OE1 GLU A 404 -14.519 -12.122 -3.035 1.00 0.53 O ATOM 1023 OE2 GLU A 404 -13.519 -13.479 -4.433 1.00 0.39 O1- ATOM 0 H GLU A 404 -13.648 -8.364 -3.459 1.00 0.25 H new ATOM 0 HA GLU A 404 -11.093 -9.488 -2.620 1.00 0.21 H new ATOM 0 HB2 GLU A 404 -12.830 -10.497 -4.889 1.00 0.22 H new ATOM 0 HB3 GLU A 404 -11.097 -10.754 -4.847 1.00 0.22 H new ATOM 0 HG2 GLU A 404 -11.362 -12.532 -3.536 1.00 0.24 H new ATOM 0 HG3 GLU A 404 -12.132 -11.545 -2.310 1.00 0.24 H new ATOM 1030 N SER A 405 -9.988 -8.144 -4.453 1.00 0.16 N ATOM 1031 CA SER A 405 -9.377 -7.295 -5.436 1.00 0.15 C ATOM 1032 C SER A 405 -8.112 -7.946 -5.901 1.00 0.13 C ATOM 1033 O SER A 405 -7.073 -7.838 -5.255 1.00 0.11 O ATOM 1034 CB SER A 405 -9.027 -5.940 -4.848 1.00 0.15 C ATOM 1035 OG SER A 405 -9.825 -5.643 -3.711 1.00 0.19 O ATOM 0 H SER A 405 -9.331 -8.639 -3.850 1.00 0.16 H new ATOM 0 HA SER A 405 -10.078 -7.151 -6.258 1.00 0.15 H new ATOM 0 HB2 SER A 405 -7.974 -5.925 -4.568 1.00 0.15 H new ATOM 0 HB3 SER A 405 -9.167 -5.167 -5.604 1.00 0.15 H new ATOM 0 HG SER A 405 -9.574 -4.765 -3.355 1.00 0.19 H new ATOM 1041 N PRO A 406 -8.177 -8.635 -7.021 1.00 0.15 N ATOM 1042 CA PRO A 406 -7.038 -9.319 -7.559 1.00 0.14 C ATOM 1043 C PRO A 406 -6.022 -8.325 -8.043 1.00 0.13 C ATOM 1044 O PRO A 406 -6.210 -7.621 -9.034 1.00 0.17 O ATOM 1045 CB PRO A 406 -7.613 -10.186 -8.675 1.00 0.18 C ATOM 1046 CG PRO A 406 -9.071 -10.180 -8.413 1.00 0.19 C ATOM 1047 CD PRO A 406 -9.355 -8.835 -7.841 1.00 0.18 C ATOM 0 HA PRO A 406 -6.507 -9.932 -6.831 1.00 0.14 H new ATOM 0 HB2 PRO A 406 -7.382 -9.777 -9.659 1.00 0.18 H new ATOM 0 HB3 PRO A 406 -7.206 -11.197 -8.646 1.00 0.18 H new ATOM 0 HG2 PRO A 406 -9.637 -10.347 -9.329 1.00 0.19 H new ATOM 0 HG3 PRO A 406 -9.350 -10.971 -7.718 1.00 0.19 H new ATOM 0 HD2 PRO A 406 -9.457 -8.071 -8.612 1.00 0.18 H new ATOM 0 HD3 PRO A 406 -10.274 -8.821 -7.255 1.00 0.18 H new ATOM 1055 N VAL A 407 -4.950 -8.300 -7.310 1.00 0.10 N ATOM 1056 CA VAL A 407 -3.949 -7.304 -7.414 1.00 0.09 C ATOM 1057 C VAL A 407 -2.719 -7.954 -8.020 1.00 0.11 C ATOM 1058 O VAL A 407 -2.550 -9.163 -7.949 1.00 0.15 O ATOM 1059 CB VAL A 407 -3.727 -6.776 -5.984 1.00 0.08 C ATOM 1060 CG1 VAL A 407 -2.470 -7.242 -5.340 1.00 0.07 C ATOM 1061 CG2 VAL A 407 -3.917 -5.293 -5.862 1.00 0.08 C ATOM 0 H VAL A 407 -4.749 -9.003 -6.599 1.00 0.10 H new ATOM 0 HA VAL A 407 -4.213 -6.463 -8.056 1.00 0.09 H new ATOM 0 HB VAL A 407 -4.527 -7.239 -5.407 1.00 0.08 H new ATOM 0 HG11 VAL A 407 -2.397 -6.821 -4.337 1.00 0.07 H new ATOM 0 HG12 VAL A 407 -2.475 -8.330 -5.277 1.00 0.07 H new ATOM 0 HG13 VAL A 407 -1.615 -6.917 -5.933 1.00 0.07 H new ATOM 0 HG21 VAL A 407 -3.746 -4.988 -4.830 1.00 0.08 H new ATOM 0 HG22 VAL A 407 -3.209 -4.781 -6.514 1.00 0.08 H new ATOM 0 HG23 VAL A 407 -4.934 -5.031 -6.154 1.00 0.08 H new ATOM 1071 N ASN A 408 -1.893 -7.179 -8.654 1.00 0.11 N ATOM 1072 CA ASN A 408 -0.753 -7.722 -9.362 1.00 0.12 C ATOM 1073 C ASN A 408 0.397 -7.849 -8.407 1.00 0.10 C ATOM 1074 O ASN A 408 1.311 -8.635 -8.623 1.00 0.11 O ATOM 1075 CB ASN A 408 -0.398 -6.804 -10.511 1.00 0.15 C ATOM 1076 CG ASN A 408 -1.503 -6.748 -11.532 1.00 0.19 C ATOM 1077 OD1 ASN A 408 -1.481 -7.458 -12.536 1.00 0.51 O ATOM 1078 ND2 ASN A 408 -2.491 -5.925 -11.262 1.00 0.38 N ATOM 0 H ASN A 408 -1.980 -6.164 -8.701 1.00 0.11 H new ATOM 0 HA ASN A 408 -0.988 -8.707 -9.764 1.00 0.12 H new ATOM 0 HB2 ASN A 408 -0.201 -5.802 -10.130 1.00 0.15 H new ATOM 0 HB3 ASN A 408 0.520 -7.151 -10.985 1.00 0.15 H new ATOM 0 HD21 ASN A 408 -3.285 -5.855 -11.898 1.00 0.38 H new ATOM 0 HD22 ASN A 408 -2.464 -5.356 -10.416 1.00 0.38 H new ATOM 1085 N TYR A 409 0.320 -7.079 -7.336 1.00 0.08 N ATOM 1086 CA TYR A 409 1.422 -6.921 -6.404 1.00 0.06 C ATOM 1087 C TYR A 409 0.868 -6.467 -5.071 1.00 0.06 C ATOM 1088 O TYR A 409 0.147 -5.472 -4.994 1.00 0.06 O ATOM 1089 CB TYR A 409 2.476 -5.923 -6.915 1.00 0.06 C ATOM 1090 CG TYR A 409 3.108 -6.327 -8.229 1.00 0.08 C ATOM 1091 CD1 TYR A 409 2.570 -5.925 -9.442 1.00 0.13 C ATOM 1092 CD2 TYR A 409 4.273 -7.079 -8.249 1.00 0.11 C ATOM 1093 CE1 TYR A 409 3.172 -6.266 -10.637 1.00 0.18 C ATOM 1094 CE2 TYR A 409 4.886 -7.418 -9.434 1.00 0.17 C ATOM 1095 CZ TYR A 409 4.206 -7.127 -10.652 1.00 0.17 C ATOM 1096 OH TYR A 409 4.936 -7.354 -11.818 1.00 0.27 O ATOM 0 H TYR A 409 -0.512 -6.544 -7.087 1.00 0.08 H new ATOM 0 HA TYR A 409 1.926 -7.882 -6.297 1.00 0.06 H new ATOM 0 HB2 TYR A 409 2.011 -4.944 -7.031 1.00 0.06 H new ATOM 0 HB3 TYR A 409 3.258 -5.817 -6.163 1.00 0.06 H new ATOM 0 HD1 TYR A 409 1.665 -5.335 -9.452 1.00 0.13 H new ATOM 0 HD2 TYR A 409 4.708 -7.405 -7.316 1.00 0.11 H new ATOM 0 HE1 TYR A 409 2.812 -5.841 -11.562 1.00 0.18 H new ATOM 0 HE2 TYR A 409 5.856 -7.892 -9.440 1.00 0.17 H new ATOM 0 HH TYR A 409 5.645 -8.006 -11.638 1.00 0.27 H new ATOM 1106 N TRP A 410 1.229 -7.177 -4.029 1.00 0.06 N ATOM 1107 CA TRP A 410 0.578 -7.041 -2.741 1.00 0.06 C ATOM 1108 C TRP A 410 1.557 -7.233 -1.615 1.00 0.06 C ATOM 1109 O TRP A 410 2.378 -8.137 -1.624 1.00 0.09 O ATOM 1110 CB TRP A 410 -0.515 -8.088 -2.687 1.00 0.07 C ATOM 1111 CG TRP A 410 -1.181 -8.285 -1.383 1.00 0.07 C ATOM 1112 CD1 TRP A 410 -1.351 -9.462 -0.781 1.00 0.08 C ATOM 1113 CD2 TRP A 410 -1.779 -7.303 -0.553 1.00 0.06 C ATOM 1114 NE1 TRP A 410 -2.061 -9.299 0.387 1.00 0.08 N ATOM 1115 CE2 TRP A 410 -2.332 -7.955 0.552 1.00 0.07 C ATOM 1116 CE3 TRP A 410 -1.898 -5.941 -0.658 1.00 0.06 C ATOM 1117 CZ2 TRP A 410 -3.013 -7.254 1.563 1.00 0.07 C ATOM 1118 CZ3 TRP A 410 -2.554 -5.239 0.316 1.00 0.07 C ATOM 1119 CH2 TRP A 410 -3.115 -5.887 1.424 1.00 0.07 C ATOM 0 H TRP A 410 1.981 -7.866 -4.046 1.00 0.06 H new ATOM 0 HA TRP A 410 0.163 -6.040 -2.626 1.00 0.06 H new ATOM 0 HB2 TRP A 410 -1.276 -7.824 -3.421 1.00 0.07 H new ATOM 0 HB3 TRP A 410 -0.089 -9.041 -2.999 1.00 0.07 H new ATOM 0 HD1 TRP A 410 -0.985 -10.407 -1.155 1.00 0.08 H new ATOM 0 HE1 TRP A 410 -2.340 -10.045 1.024 1.00 0.08 H new ATOM 0 HE3 TRP A 410 -1.475 -5.424 -1.507 1.00 0.06 H new ATOM 0 HZ2 TRP A 410 -3.439 -7.766 2.413 1.00 0.07 H new ATOM 0 HZ3 TRP A 410 -2.641 -4.166 0.229 1.00 0.07 H new ATOM 0 HH2 TRP A 410 -3.632 -5.310 2.176 1.00 0.07 H new ATOM 1130 N MET A 411 1.493 -6.350 -0.664 1.00 0.08 N ATOM 1131 CA MET A 411 2.263 -6.502 0.532 1.00 0.09 C ATOM 1132 C MET A 411 1.294 -6.694 1.685 1.00 0.12 C ATOM 1133 O MET A 411 0.783 -5.708 2.224 1.00 0.14 O ATOM 1134 CB MET A 411 3.135 -5.275 0.765 1.00 0.10 C ATOM 1135 CG MET A 411 3.851 -4.755 -0.474 1.00 0.09 C ATOM 1136 SD MET A 411 5.010 -5.937 -1.169 1.00 0.06 S ATOM 1137 CE MET A 411 5.895 -4.908 -2.334 1.00 0.06 C ATOM 0 H MET A 411 0.912 -5.512 -0.695 1.00 0.08 H new ATOM 0 HA MET A 411 2.926 -7.363 0.448 1.00 0.09 H new ATOM 0 HB2 MET A 411 2.513 -4.477 1.170 1.00 0.10 H new ATOM 0 HB3 MET A 411 3.880 -5.515 1.524 1.00 0.10 H new ATOM 0 HG2 MET A 411 3.111 -4.494 -1.230 1.00 0.09 H new ATOM 0 HG3 MET A 411 4.384 -3.839 -0.220 1.00 0.09 H new ATOM 0 HE1 MET A 411 5.515 -5.088 -3.340 1.00 0.06 H new ATOM 0 HE2 MET A 411 5.753 -3.859 -2.074 1.00 0.06 H new ATOM 0 HE3 MET A 411 6.957 -5.149 -2.299 1.00 0.06 H new ATOM 1147 N PRO A 412 0.971 -7.953 2.042 1.00 0.13 N ATOM 1148 CA PRO A 412 0.035 -8.247 3.125 1.00 0.19 C ATOM 1149 C PRO A 412 0.580 -7.855 4.487 1.00 0.25 C ATOM 1150 O PRO A 412 0.910 -8.706 5.313 1.00 0.50 O ATOM 1151 CB PRO A 412 -0.183 -9.760 3.040 1.00 0.24 C ATOM 1152 CG PRO A 412 1.027 -10.276 2.343 1.00 0.23 C ATOM 1153 CD PRO A 412 1.470 -9.184 1.407 1.00 0.16 C ATOM 0 HA PRO A 412 -0.888 -7.677 3.017 1.00 0.19 H new ATOM 0 HB2 PRO A 412 -0.288 -10.202 4.031 1.00 0.24 H new ATOM 0 HB3 PRO A 412 -1.091 -9.999 2.487 1.00 0.24 H new ATOM 0 HG2 PRO A 412 1.814 -10.519 3.057 1.00 0.23 H new ATOM 0 HG3 PRO A 412 0.800 -11.190 1.795 1.00 0.23 H new ATOM 0 HD2 PRO A 412 2.554 -9.166 1.298 1.00 0.16 H new ATOM 0 HD3 PRO A 412 1.051 -9.318 0.410 1.00 0.16 H new ATOM 1161 N ILE A 413 0.671 -6.566 4.717 1.00 0.17 N ATOM 1162 CA ILE A 413 1.108 -6.050 5.995 1.00 0.22 C ATOM 1163 C ILE A 413 0.021 -6.347 7.034 1.00 0.37 C ATOM 1164 O ILE A 413 -1.036 -6.882 6.682 1.00 0.88 O ATOM 1165 CB ILE A 413 1.432 -4.543 5.875 1.00 0.18 C ATOM 1166 CG1 ILE A 413 0.173 -3.699 5.891 1.00 0.18 C ATOM 1167 CG2 ILE A 413 2.181 -4.289 4.574 1.00 0.15 C ATOM 1168 CD1 ILE A 413 0.445 -2.263 5.500 1.00 0.16 C ATOM 0 H ILE A 413 0.446 -5.848 4.028 1.00 0.17 H new ATOM 0 HA ILE A 413 2.028 -6.536 6.320 1.00 0.22 H new ATOM 0 HB ILE A 413 2.045 -4.262 6.732 1.00 0.18 H new ATOM 0 HG12 ILE A 413 -0.559 -4.128 5.207 1.00 0.18 H new ATOM 0 HG13 ILE A 413 -0.268 -3.726 6.887 1.00 0.18 H new ATOM 0 HG21 ILE A 413 2.410 -3.227 4.488 1.00 0.15 H new ATOM 0 HG22 ILE A 413 3.108 -4.862 4.570 1.00 0.15 H new ATOM 0 HG23 ILE A 413 1.561 -4.596 3.731 1.00 0.15 H new ATOM 0 HD11 ILE A 413 -0.486 -1.696 5.526 1.00 0.16 H new ATOM 0 HD12 ILE A 413 1.156 -1.824 6.199 1.00 0.16 H new ATOM 0 HD13 ILE A 413 0.861 -2.233 4.493 1.00 0.16 H new ATOM 1180 N ASP A 414 0.246 -6.041 8.299 1.00 0.65 N ATOM 1181 CA ASP A 414 -0.649 -6.583 9.322 1.00 0.84 C ATOM 1182 C ASP A 414 -0.792 -5.661 10.535 1.00 0.90 C ATOM 1183 O ASP A 414 -0.273 -4.545 10.539 1.00 1.48 O ATOM 1184 CB ASP A 414 -0.167 -7.980 9.747 1.00 1.53 C ATOM 1185 CG ASP A 414 -1.234 -8.784 10.464 1.00 2.06 C ATOM 1186 OD1 ASP A 414 -2.432 -8.492 10.271 1.00 2.49 O1- ATOM 1187 OD2 ASP A 414 -0.885 -9.698 11.235 1.00 2.33 O ATOM 0 H ASP A 414 1.003 -5.448 8.639 1.00 0.65 H new ATOM 0 HA ASP A 414 -1.642 -6.660 8.880 1.00 0.84 H new ATOM 0 HB2 ASP A 414 0.161 -8.529 8.864 1.00 1.53 H new ATOM 0 HB3 ASP A 414 0.701 -7.876 10.399 1.00 1.53 H new ATOM 1192 N TRP A 415 -1.557 -6.164 11.530 1.00 0.81 N ATOM 1193 CA TRP A 415 -1.790 -5.565 12.868 1.00 1.12 C ATOM 1194 C TRP A 415 -2.389 -4.160 12.832 1.00 0.88 C ATOM 1195 O TRP A 415 -2.799 -3.629 13.865 1.00 1.14 O ATOM 1196 CB TRP A 415 -0.542 -5.631 13.782 1.00 1.66 C ATOM 1197 CG TRP A 415 0.704 -4.973 13.275 1.00 1.44 C ATOM 1198 CD1 TRP A 415 1.033 -3.651 13.345 1.00 1.66 C ATOM 1199 CD2 TRP A 415 1.810 -5.632 12.659 1.00 1.39 C ATOM 1200 NE1 TRP A 415 2.270 -3.446 12.782 1.00 1.92 N ATOM 1201 CE2 TRP A 415 2.766 -4.652 12.355 1.00 1.61 C ATOM 1202 CE3 TRP A 415 2.073 -6.959 12.327 1.00 1.49 C ATOM 1203 CZ2 TRP A 415 3.970 -4.967 11.735 1.00 1.72 C ATOM 1204 CZ3 TRP A 415 3.261 -7.270 11.715 1.00 1.40 C ATOM 1205 CH2 TRP A 415 4.195 -6.284 11.425 1.00 1.42 C ATOM 0 H TRP A 415 -2.056 -7.046 11.417 1.00 0.81 H new ATOM 0 HA TRP A 415 -2.555 -6.199 13.316 1.00 1.12 H new ATOM 0 HB2 TRP A 415 -0.799 -5.179 14.740 1.00 1.66 H new ATOM 0 HB3 TRP A 415 -0.317 -6.680 13.975 1.00 1.66 H new ATOM 0 HD1 TRP A 415 0.413 -2.880 13.778 1.00 1.66 H new ATOM 0 HE1 TRP A 415 2.742 -2.546 12.696 1.00 1.92 H new ATOM 0 HE3 TRP A 415 1.352 -7.732 12.548 1.00 1.49 H new ATOM 0 HZ2 TRP A 415 4.700 -4.204 11.506 1.00 1.72 H new ATOM 0 HZ3 TRP A 415 3.473 -8.297 11.455 1.00 1.40 H new ATOM 0 HH2 TRP A 415 5.121 -6.561 10.944 1.00 1.42 H new ATOM 1216 N THR A 416 -2.457 -3.579 11.649 1.00 0.62 N ATOM 1217 CA THR A 416 -3.009 -2.250 11.462 1.00 0.61 C ATOM 1218 C THR A 416 -4.172 -2.282 10.484 1.00 0.52 C ATOM 1219 O THR A 416 -4.924 -1.316 10.358 1.00 0.71 O ATOM 1220 CB THR A 416 -1.928 -1.296 10.934 1.00 0.76 C ATOM 1221 OG1 THR A 416 -1.263 -1.899 9.813 1.00 0.82 O ATOM 1222 CG2 THR A 416 -0.915 -0.986 12.019 1.00 0.95 C ATOM 0 H THR A 416 -2.130 -4.017 10.788 1.00 0.62 H new ATOM 0 HA THR A 416 -3.368 -1.895 12.428 1.00 0.61 H new ATOM 0 HB THR A 416 -2.403 -0.365 10.624 1.00 0.76 H new ATOM 0 HG1 THR A 416 -0.459 -1.383 9.593 1.00 0.82 H new ATOM 0 HG21 THR A 416 -0.157 -0.309 11.626 1.00 0.95 H new ATOM 0 HG22 THR A 416 -1.419 -0.516 12.864 1.00 0.95 H new ATOM 0 HG23 THR A 416 -0.440 -1.910 12.348 1.00 0.95 H new ATOM 1230 N GLY A 417 -4.285 -3.391 9.764 1.00 0.42 N ATOM 1231 CA GLY A 417 -5.381 -3.575 8.835 1.00 0.48 C ATOM 1232 C GLY A 417 -4.971 -3.223 7.429 1.00 0.49 C ATOM 1233 O GLY A 417 -5.435 -3.827 6.466 1.00 0.68 O ATOM 0 H GLY A 417 -3.630 -4.172 9.809 1.00 0.42 H new ATOM 0 HA2 GLY A 417 -5.719 -4.611 8.869 1.00 0.48 H new ATOM 0 HA3 GLY A 417 -6.224 -2.954 9.137 1.00 0.48 H new ATOM 1237 N VAL A 418 -4.068 -2.261 7.339 1.00 0.32 N ATOM 1238 CA VAL A 418 -3.573 -1.725 6.078 1.00 0.26 C ATOM 1239 C VAL A 418 -2.914 -2.808 5.216 1.00 0.24 C ATOM 1240 O VAL A 418 -2.749 -3.952 5.638 1.00 0.27 O ATOM 1241 CB VAL A 418 -2.545 -0.604 6.373 1.00 0.25 C ATOM 1242 CG1 VAL A 418 -2.064 0.115 5.108 1.00 0.75 C ATOM 1243 CG2 VAL A 418 -3.137 0.393 7.341 1.00 0.75 C ATOM 0 H VAL A 418 -3.648 -1.820 8.157 1.00 0.32 H new ATOM 0 HA VAL A 418 -4.423 -1.329 5.521 1.00 0.26 H new ATOM 0 HB VAL A 418 -1.671 -1.082 6.815 1.00 0.25 H new ATOM 0 HG11 VAL A 418 -1.346 0.889 5.380 1.00 0.75 H new ATOM 0 HG12 VAL A 418 -1.588 -0.603 4.440 1.00 0.75 H new ATOM 0 HG13 VAL A 418 -2.915 0.571 4.603 1.00 0.75 H new ATOM 0 HG21 VAL A 418 -2.409 1.179 7.544 1.00 0.75 H new ATOM 0 HG22 VAL A 418 -4.034 0.833 6.906 1.00 0.75 H new ATOM 0 HG23 VAL A 418 -3.395 -0.112 8.272 1.00 0.75 H new ATOM 1253 N GLY A 419 -2.566 -2.428 4.000 1.00 0.20 N ATOM 1254 CA GLY A 419 -1.767 -3.248 3.136 1.00 0.18 C ATOM 1255 C GLY A 419 -1.501 -2.523 1.857 1.00 0.14 C ATOM 1256 O GLY A 419 -2.423 -2.121 1.161 1.00 0.15 O ATOM 0 H GLY A 419 -2.837 -1.534 3.590 1.00 0.20 H new ATOM 0 HA2 GLY A 419 -0.826 -3.499 3.625 1.00 0.18 H new ATOM 0 HA3 GLY A 419 -2.281 -4.187 2.933 1.00 0.18 H new ATOM 1260 N ILE A 420 -0.246 -2.331 1.557 1.00 0.10 N ATOM 1261 CA ILE A 420 0.127 -1.614 0.369 1.00 0.08 C ATOM 1262 C ILE A 420 0.081 -2.540 -0.839 1.00 0.08 C ATOM 1263 O ILE A 420 0.436 -3.719 -0.743 1.00 0.09 O ATOM 1264 CB ILE A 420 1.549 -1.040 0.496 1.00 0.07 C ATOM 1265 CG1 ILE A 420 1.579 0.236 1.344 1.00 0.08 C ATOM 1266 CG2 ILE A 420 2.130 -0.777 -0.874 1.00 0.08 C ATOM 1267 CD1 ILE A 420 1.723 -0.009 2.826 1.00 0.29 C ATOM 0 H ILE A 420 0.537 -2.662 2.120 1.00 0.10 H new ATOM 0 HA ILE A 420 -0.581 -0.795 0.240 1.00 0.08 H new ATOM 0 HB ILE A 420 2.160 -1.784 1.008 1.00 0.07 H new ATOM 0 HG12 ILE A 420 2.406 0.862 1.009 1.00 0.08 H new ATOM 0 HG13 ILE A 420 0.662 0.798 1.167 1.00 0.08 H new ATOM 0 HG21 ILE A 420 3.136 -0.371 -0.771 1.00 0.08 H new ATOM 0 HG22 ILE A 420 2.171 -1.709 -1.437 1.00 0.08 H new ATOM 0 HG23 ILE A 420 1.502 -0.060 -1.404 1.00 0.08 H new ATOM 0 HD11 ILE A 420 1.736 0.945 3.353 1.00 0.29 H new ATOM 0 HD12 ILE A 420 0.883 -0.607 3.179 1.00 0.29 H new ATOM 0 HD13 ILE A 420 2.654 -0.542 3.018 1.00 0.29 H new ATOM 1279 N HIS A 421 -0.356 -2.006 -1.975 1.00 0.07 N ATOM 1280 CA HIS A 421 -0.559 -2.830 -3.155 1.00 0.06 C ATOM 1281 C HIS A 421 -0.566 -2.006 -4.427 1.00 0.07 C ATOM 1282 O HIS A 421 -0.785 -0.801 -4.391 1.00 0.08 O ATOM 1283 CB HIS A 421 -1.892 -3.536 -3.028 1.00 0.06 C ATOM 1284 CG HIS A 421 -3.072 -2.635 -3.002 1.00 0.07 C ATOM 1285 ND1 HIS A 421 -3.596 -2.004 -4.101 1.00 0.08 N ATOM 1286 CD2 HIS A 421 -3.830 -2.274 -1.952 1.00 0.07 C ATOM 1287 CE1 HIS A 421 -4.639 -1.281 -3.694 1.00 0.09 C ATOM 1288 NE2 HIS A 421 -4.830 -1.411 -2.390 1.00 0.08 N ATOM 0 H HIS A 421 -0.574 -1.017 -2.101 1.00 0.07 H new ATOM 0 HA HIS A 421 0.264 -3.541 -3.217 1.00 0.06 H new ATOM 0 HB2 HIS A 421 -2.001 -4.230 -3.861 1.00 0.06 H new ATOM 0 HB3 HIS A 421 -1.887 -4.132 -2.115 1.00 0.06 H new ATOM 0 HD1 HIS A 421 -3.250 -2.075 -5.058 1.00 0.08 H new ATOM 0 HD2 HIS A 421 -3.686 -2.601 -0.933 1.00 0.07 H new ATOM 0 HE1 HIS A 421 -5.249 -0.669 -4.343 1.00 0.09 H new ATOM 1296 N ASP A 422 -0.352 -2.676 -5.552 1.00 0.07 N ATOM 1297 CA ASP A 422 -0.496 -2.055 -6.852 1.00 0.07 C ATOM 1298 C ASP A 422 -1.970 -2.102 -7.240 1.00 0.11 C ATOM 1299 O ASP A 422 -2.686 -3.001 -6.841 1.00 0.20 O ATOM 1300 CB ASP A 422 0.349 -2.797 -7.891 1.00 0.09 C ATOM 1301 CG ASP A 422 -0.445 -3.835 -8.665 1.00 0.65 C ATOM 1302 OD1 ASP A 422 -0.902 -4.820 -8.047 1.00 1.07 O1- ATOM 1303 OD2 ASP A 422 -0.609 -3.675 -9.889 1.00 0.80 O ATOM 0 H ASP A 422 -0.076 -3.657 -5.584 1.00 0.07 H new ATOM 0 HA ASP A 422 -0.151 -1.022 -6.813 1.00 0.07 H new ATOM 0 HB2 ASP A 422 0.773 -2.076 -8.590 1.00 0.09 H new ATOM 0 HB3 ASP A 422 1.185 -3.285 -7.391 1.00 0.09 H new ATOM 1308 N SER A 423 -2.435 -1.115 -7.964 1.00 0.09 N ATOM 1309 CA SER A 423 -3.845 -1.002 -8.271 1.00 0.11 C ATOM 1310 C SER A 423 -4.045 -0.701 -9.738 1.00 0.14 C ATOM 1311 O SER A 423 -3.936 0.426 -10.201 1.00 0.17 O ATOM 1312 CB SER A 423 -4.481 0.082 -7.392 1.00 0.14 C ATOM 1313 OG SER A 423 -5.651 0.598 -7.983 1.00 0.23 O ATOM 0 H SER A 423 -1.856 -0.372 -8.356 1.00 0.09 H new ATOM 0 HA SER A 423 -4.335 -1.952 -8.058 1.00 0.11 H new ATOM 0 HB2 SER A 423 -4.718 -0.334 -6.413 1.00 0.14 H new ATOM 0 HB3 SER A 423 -3.766 0.889 -7.231 1.00 0.14 H new ATOM 0 HG SER A 423 -6.430 0.104 -7.652 1.00 0.23 H new ATOM 1319 N ASP A 424 -4.343 -1.743 -10.475 1.00 0.16 N ATOM 1320 CA ASP A 424 -4.528 -1.629 -11.899 1.00 0.21 C ATOM 1321 C ASP A 424 -5.926 -1.093 -12.192 1.00 0.24 C ATOM 1322 O ASP A 424 -6.259 -0.727 -13.321 1.00 0.27 O ATOM 1323 CB ASP A 424 -4.292 -2.990 -12.539 1.00 0.24 C ATOM 1324 CG ASP A 424 -4.661 -3.049 -14.009 1.00 0.32 C ATOM 1325 OD1 ASP A 424 -3.817 -2.692 -14.855 1.00 0.42 O1- ATOM 1326 OD2 ASP A 424 -5.811 -3.427 -14.322 1.00 0.37 O ATOM 0 H ASP A 424 -4.463 -2.687 -10.107 1.00 0.16 H new ATOM 0 HA ASP A 424 -3.812 -0.926 -12.324 1.00 0.21 H new ATOM 0 HB2 ASP A 424 -3.241 -3.256 -12.427 1.00 0.24 H new ATOM 0 HB3 ASP A 424 -4.870 -3.740 -11.999 1.00 0.24 H new ATOM 1331 N TRP A 425 -6.735 -1.044 -11.130 1.00 0.24 N ATOM 1332 CA TRP A 425 -8.144 -0.690 -11.226 1.00 0.27 C ATOM 1333 C TRP A 425 -8.415 0.789 -10.922 1.00 0.30 C ATOM 1334 O TRP A 425 -9.431 1.328 -11.354 1.00 0.32 O ATOM 1335 CB TRP A 425 -8.962 -1.555 -10.261 1.00 0.25 C ATOM 1336 CG TRP A 425 -8.607 -1.317 -8.821 1.00 0.23 C ATOM 1337 CD1 TRP A 425 -8.928 -0.219 -8.086 1.00 0.25 C ATOM 1338 CD2 TRP A 425 -7.875 -2.184 -7.941 1.00 0.19 C ATOM 1339 NE1 TRP A 425 -8.405 -0.320 -6.827 1.00 0.23 N ATOM 1340 CE2 TRP A 425 -7.779 -1.524 -6.702 1.00 0.19 C ATOM 1341 CE3 TRP A 425 -7.286 -3.448 -8.072 1.00 0.16 C ATOM 1342 CZ2 TRP A 425 -7.129 -2.077 -5.612 1.00 0.17 C ATOM 1343 CZ3 TRP A 425 -6.639 -3.997 -6.985 1.00 0.14 C ATOM 1344 CH2 TRP A 425 -6.570 -3.310 -5.769 1.00 0.15 C ATOM 0 H TRP A 425 -6.426 -1.250 -10.180 1.00 0.24 H new ATOM 0 HA TRP A 425 -8.441 -0.871 -12.259 1.00 0.27 H new ATOM 0 HB2 TRP A 425 -10.023 -1.351 -10.407 1.00 0.25 H new ATOM 0 HB3 TRP A 425 -8.804 -2.607 -10.500 1.00 0.25 H new ATOM 0 HD1 TRP A 425 -9.513 0.614 -8.446 1.00 0.25 H new ATOM 0 HE1 TRP A 425 -8.472 0.391 -6.099 1.00 0.23 H new ATOM 0 HE3 TRP A 425 -7.338 -3.984 -9.008 1.00 0.16 H new ATOM 0 HZ2 TRP A 425 -7.067 -1.550 -4.671 1.00 0.17 H new ATOM 0 HZ3 TRP A 425 -6.180 -4.970 -7.074 1.00 0.14 H new ATOM 0 HH2 TRP A 425 -6.061 -3.768 -4.934 1.00 0.15 H new ATOM 1355 N GLN A 426 -7.541 1.426 -10.152 1.00 0.31 N ATOM 1356 CA GLN A 426 -7.720 2.831 -9.795 1.00 0.33 C ATOM 1357 C GLN A 426 -6.958 3.705 -10.761 1.00 0.36 C ATOM 1358 O GLN A 426 -5.750 3.601 -10.937 1.00 0.39 O ATOM 1359 CB GLN A 426 -7.242 3.078 -8.361 1.00 0.31 C ATOM 1360 CG GLN A 426 -8.296 3.671 -7.441 1.00 0.60 C ATOM 1361 CD GLN A 426 -8.405 5.169 -7.590 1.00 0.72 C ATOM 1362 OE1 GLN A 426 -9.102 5.655 -8.468 1.00 1.74 O ATOM 1363 NE2 GLN A 426 -7.768 5.918 -6.699 1.00 0.53 N ATOM 0 H GLN A 426 -6.703 0.995 -9.763 1.00 0.31 H new ATOM 0 HA GLN A 426 -8.779 3.081 -9.853 1.00 0.33 H new ATOM 0 HB2 GLN A 426 -6.898 2.134 -7.938 1.00 0.31 H new ATOM 0 HB3 GLN A 426 -6.382 3.748 -8.388 1.00 0.31 H new ATOM 0 HG2 GLN A 426 -9.262 3.215 -7.657 1.00 0.60 H new ATOM 0 HG3 GLN A 426 -8.052 3.427 -6.407 1.00 0.60 H new ATOM 0 HE21 GLN A 426 -7.194 5.478 -5.979 1.00 0.53 H new ATOM 0 HE22 GLN A 426 -7.852 6.934 -6.734 1.00 0.53 H new ATOM 1372 N PRO A 427 -7.729 4.507 -11.476 1.00 0.43 N ATOM 1373 CA PRO A 427 -7.262 5.304 -12.596 1.00 0.50 C ATOM 1374 C PRO A 427 -6.620 6.619 -12.204 1.00 0.32 C ATOM 1375 O PRO A 427 -5.843 7.175 -12.981 1.00 0.29 O ATOM 1376 CB PRO A 427 -8.538 5.560 -13.366 1.00 0.73 C ATOM 1377 CG PRO A 427 -9.574 5.642 -12.309 1.00 0.72 C ATOM 1378 CD PRO A 427 -9.171 4.665 -11.255 1.00 0.53 C ATOM 0 HA PRO A 427 -6.477 4.787 -13.148 1.00 0.50 H new ATOM 0 HB2 PRO A 427 -8.480 6.483 -13.942 1.00 0.73 H new ATOM 0 HB3 PRO A 427 -8.748 4.756 -14.072 1.00 0.73 H new ATOM 0 HG2 PRO A 427 -9.635 6.651 -11.902 1.00 0.72 H new ATOM 0 HG3 PRO A 427 -10.558 5.399 -12.709 1.00 0.72 H new ATOM 0 HD2 PRO A 427 -9.386 5.041 -10.255 1.00 0.53 H new ATOM 0 HD3 PRO A 427 -9.700 3.718 -11.360 1.00 0.53 H new ATOM 1386 N GLU A 428 -6.950 7.129 -11.029 1.00 0.31 N ATOM 1387 CA GLU A 428 -6.267 8.287 -10.520 1.00 0.22 C ATOM 1388 C GLU A 428 -5.424 7.970 -9.312 1.00 0.21 C ATOM 1389 O GLU A 428 -5.678 7.027 -8.561 1.00 0.29 O ATOM 1390 CB GLU A 428 -7.252 9.342 -10.092 1.00 0.34 C ATOM 1391 CG GLU A 428 -8.322 8.820 -9.215 1.00 1.11 C ATOM 1392 CD GLU A 428 -9.672 8.867 -9.893 1.00 1.56 C ATOM 1393 OE1 GLU A 428 -10.352 9.913 -9.788 1.00 1.48 O ATOM 1394 OE2 GLU A 428 -10.056 7.885 -10.546 1.00 2.16 O1- ATOM 0 H GLU A 428 -7.680 6.758 -10.421 1.00 0.31 H new ATOM 0 HA GLU A 428 -5.633 8.638 -11.334 1.00 0.22 H new ATOM 0 HB2 GLU A 428 -6.719 10.137 -9.570 1.00 0.34 H new ATOM 0 HB3 GLU A 428 -7.703 9.789 -10.978 1.00 0.34 H new ATOM 0 HG2 GLU A 428 -8.092 7.793 -8.932 1.00 1.11 H new ATOM 0 HG3 GLU A 428 -8.356 9.404 -8.295 1.00 1.11 H new ATOM 1401 N TYR A 429 -4.437 8.816 -9.146 1.00 0.17 N ATOM 1402 CA TYR A 429 -3.588 8.860 -7.990 1.00 0.14 C ATOM 1403 C TYR A 429 -3.080 10.271 -7.950 1.00 0.17 C ATOM 1404 O TYR A 429 -2.642 10.807 -8.968 1.00 0.21 O ATOM 1405 CB TYR A 429 -2.377 7.907 -7.976 1.00 0.12 C ATOM 1406 CG TYR A 429 -2.682 6.471 -8.297 1.00 0.13 C ATOM 1407 CD1 TYR A 429 -3.089 6.079 -9.562 1.00 0.18 C ATOM 1408 CD2 TYR A 429 -2.587 5.511 -7.315 1.00 0.15 C ATOM 1409 CE1 TYR A 429 -3.408 4.769 -9.819 1.00 0.25 C ATOM 1410 CE2 TYR A 429 -2.889 4.204 -7.568 1.00 0.20 C ATOM 1411 CZ TYR A 429 -3.308 3.840 -8.813 1.00 0.25 C ATOM 1412 OH TYR A 429 -3.639 2.544 -9.044 1.00 0.33 O ATOM 0 H TYR A 429 -4.197 9.520 -9.844 1.00 0.17 H new ATOM 0 HA TYR A 429 -4.180 8.536 -7.134 1.00 0.14 H new ATOM 0 HB2 TYR A 429 -1.640 8.273 -8.691 1.00 0.12 H new ATOM 0 HB3 TYR A 429 -1.913 7.951 -6.990 1.00 0.12 H new ATOM 0 HD1 TYR A 429 -3.156 6.811 -10.353 1.00 0.18 H new ATOM 0 HD2 TYR A 429 -2.267 5.798 -6.324 1.00 0.15 H new ATOM 0 HE1 TYR A 429 -3.735 4.471 -10.804 1.00 0.25 H new ATOM 0 HE2 TYR A 429 -2.797 3.464 -6.787 1.00 0.20 H new ATOM 0 HH TYR A 429 -3.635 2.372 -10.009 1.00 0.33 H new ATOM 1422 N GLY A 430 -3.188 10.882 -6.821 1.00 0.15 N ATOM 1423 CA GLY A 430 -2.801 12.263 -6.706 1.00 0.17 C ATOM 1424 C GLY A 430 -3.272 12.817 -5.414 1.00 0.17 C ATOM 1425 O GLY A 430 -3.482 12.052 -4.473 1.00 0.16 O ATOM 0 H GLY A 430 -3.538 10.458 -5.962 1.00 0.15 H new ATOM 0 HA2 GLY A 430 -1.717 12.352 -6.775 1.00 0.17 H new ATOM 0 HA3 GLY A 430 -3.222 12.837 -7.532 1.00 0.17 H new ATOM 1429 N GLY A 431 -3.385 14.136 -5.342 1.00 0.19 N ATOM 1430 CA GLY A 431 -4.064 14.753 -4.225 1.00 0.21 C ATOM 1431 C GLY A 431 -5.347 14.048 -3.894 1.00 0.19 C ATOM 1432 O GLY A 431 -5.833 13.205 -4.658 1.00 0.18 O ATOM 0 H GLY A 431 -3.019 14.787 -6.037 1.00 0.19 H new ATOM 0 HA2 GLY A 431 -3.410 14.746 -3.353 1.00 0.21 H new ATOM 0 HA3 GLY A 431 -4.273 15.797 -4.458 1.00 0.21 H new ATOM 1436 N ASP A 432 -5.952 14.485 -2.828 1.00 0.21 N ATOM 1437 CA ASP A 432 -6.808 13.635 -2.044 1.00 0.21 C ATOM 1438 C ASP A 432 -7.863 12.904 -2.868 1.00 0.18 C ATOM 1439 O ASP A 432 -8.884 13.440 -3.291 1.00 0.23 O ATOM 1440 CB ASP A 432 -7.453 14.495 -0.969 1.00 0.25 C ATOM 1441 CG ASP A 432 -8.314 15.626 -1.510 1.00 1.10 C ATOM 1442 OD1 ASP A 432 -7.756 16.642 -1.973 1.00 1.14 O ATOM 1443 OD2 ASP A 432 -9.557 15.493 -1.502 1.00 1.85 O1- ATOM 0 H ASP A 432 -5.868 15.439 -2.476 1.00 0.21 H new ATOM 0 HA ASP A 432 -6.200 12.845 -1.603 1.00 0.21 H new ATOM 0 HB2 ASP A 432 -8.067 13.859 -0.331 1.00 0.25 H new ATOM 0 HB3 ASP A 432 -6.670 14.918 -0.340 1.00 0.25 H new ATOM 1448 N LEU A 433 -7.533 11.636 -3.101 1.00 0.14 N ATOM 1449 CA LEU A 433 -8.431 10.655 -3.675 1.00 0.13 C ATOM 1450 C LEU A 433 -9.087 9.856 -2.568 1.00 0.12 C ATOM 1451 O LEU A 433 -10.238 9.515 -2.640 1.00 0.14 O ATOM 1452 CB LEU A 433 -7.672 9.675 -4.581 1.00 0.15 C ATOM 1453 CG LEU A 433 -7.600 9.951 -6.062 1.00 0.39 C ATOM 1454 CD1 LEU A 433 -8.217 11.243 -6.458 1.00 1.21 C ATOM 1455 CD2 LEU A 433 -6.196 9.852 -6.521 1.00 1.08 C ATOM 0 H LEU A 433 -6.609 11.260 -2.888 1.00 0.14 H new ATOM 0 HA LEU A 433 -9.177 11.190 -4.263 1.00 0.13 H new ATOM 0 HB2 LEU A 433 -6.650 9.608 -4.209 1.00 0.15 H new ATOM 0 HB3 LEU A 433 -8.123 8.691 -4.452 1.00 0.15 H new ATOM 0 HG LEU A 433 -8.197 9.188 -6.561 1.00 0.39 H new ATOM 0 HD11 LEU A 433 -8.128 11.373 -7.536 1.00 1.21 H new ATOM 0 HD12 LEU A 433 -9.271 11.244 -6.178 1.00 1.21 H new ATOM 0 HD13 LEU A 433 -7.706 12.061 -5.950 1.00 1.21 H new ATOM 0 HD21 LEU A 433 -6.148 10.052 -7.591 1.00 1.08 H new ATOM 0 HD22 LEU A 433 -5.587 10.582 -5.988 1.00 1.08 H new ATOM 0 HD23 LEU A 433 -5.818 8.849 -6.322 1.00 1.08 H new ATOM 1467 N TRP A 434 -8.310 9.557 -1.542 1.00 0.10 N ATOM 1468 CA TRP A 434 -8.719 8.622 -0.492 1.00 0.10 C ATOM 1469 C TRP A 434 -10.036 9.015 0.156 1.00 0.11 C ATOM 1470 O TRP A 434 -10.763 8.172 0.663 1.00 0.15 O ATOM 1471 CB TRP A 434 -7.603 8.525 0.548 1.00 0.10 C ATOM 1472 CG TRP A 434 -7.335 9.823 1.199 1.00 0.10 C ATOM 1473 CD1 TRP A 434 -6.482 10.796 0.778 1.00 0.11 C ATOM 1474 CD2 TRP A 434 -7.958 10.301 2.379 1.00 0.12 C ATOM 1475 NE1 TRP A 434 -6.590 11.889 1.606 1.00 0.13 N ATOM 1476 CE2 TRP A 434 -7.480 11.594 2.608 1.00 0.13 C ATOM 1477 CE3 TRP A 434 -8.892 9.760 3.258 1.00 0.13 C ATOM 1478 CZ2 TRP A 434 -7.913 12.355 3.679 1.00 0.16 C ATOM 1479 CZ3 TRP A 434 -9.316 10.516 4.318 1.00 0.14 C ATOM 1480 CH2 TRP A 434 -8.830 11.804 4.519 1.00 0.16 C ATOM 0 H TRP A 434 -7.379 9.951 -1.407 1.00 0.10 H new ATOM 0 HA TRP A 434 -8.886 7.646 -0.948 1.00 0.10 H new ATOM 0 HB2 TRP A 434 -7.877 7.790 1.305 1.00 0.10 H new ATOM 0 HB3 TRP A 434 -6.692 8.165 0.069 1.00 0.10 H new ATOM 0 HD1 TRP A 434 -5.823 10.722 -0.074 1.00 0.11 H new ATOM 0 HE1 TRP A 434 -6.092 12.772 1.494 1.00 0.13 H new ATOM 0 HE3 TRP A 434 -9.275 8.762 3.107 1.00 0.13 H new ATOM 0 HZ2 TRP A 434 -7.535 13.354 3.843 1.00 0.16 H new ATOM 0 HZ3 TRP A 434 -10.038 10.106 5.008 1.00 0.14 H new ATOM 0 HH2 TRP A 434 -9.189 12.379 5.360 1.00 0.16 H new ATOM 1491 N LYS A 435 -10.334 10.303 0.142 1.00 0.12 N ATOM 1492 CA LYS A 435 -11.535 10.806 0.769 1.00 0.14 C ATOM 1493 C LYS A 435 -12.711 10.806 -0.176 1.00 0.17 C ATOM 1494 O LYS A 435 -13.858 10.643 0.223 1.00 0.20 O ATOM 1495 CB LYS A 435 -11.274 12.210 1.276 1.00 0.15 C ATOM 1496 CG LYS A 435 -9.939 12.720 0.832 1.00 0.15 C ATOM 1497 CD LYS A 435 -9.610 14.048 1.429 1.00 0.17 C ATOM 1498 CE LYS A 435 -10.209 14.222 2.802 1.00 0.18 C ATOM 1499 NZ LYS A 435 -9.821 15.511 3.438 1.00 0.22 N1+ ATOM 0 H LYS A 435 -9.756 11.018 -0.299 1.00 0.12 H new ATOM 0 HA LYS A 435 -11.791 10.146 1.598 1.00 0.14 H new ATOM 0 HB2 LYS A 435 -12.057 12.878 0.916 1.00 0.15 H new ATOM 0 HB3 LYS A 435 -11.323 12.219 2.365 1.00 0.15 H new ATOM 0 HG2 LYS A 435 -9.168 12.000 1.107 1.00 0.15 H new ATOM 0 HG3 LYS A 435 -9.927 12.800 -0.255 1.00 0.15 H new ATOM 0 HD2 LYS A 435 -8.527 14.158 1.491 1.00 0.17 H new ATOM 0 HD3 LYS A 435 -9.974 14.839 0.773 1.00 0.17 H new ATOM 0 HE2 LYS A 435 -11.295 14.170 2.729 1.00 0.18 H new ATOM 0 HE3 LYS A 435 -9.892 13.397 3.440 1.00 0.18 H new ATOM 0 HZ1 LYS A 435 -10.259 15.580 4.379 1.00 0.22 H new ATOM 0 HZ2 LYS A 435 -8.786 15.553 3.534 1.00 0.22 H new ATOM 0 HZ3 LYS A 435 -10.146 16.302 2.846 1.00 0.22 H new ATOM 1513 N THR A 436 -12.400 11.032 -1.423 1.00 0.16 N ATOM 1514 CA THR A 436 -13.400 11.125 -2.471 1.00 0.19 C ATOM 1515 C THR A 436 -13.670 9.763 -3.085 1.00 0.19 C ATOM 1516 O THR A 436 -14.816 9.359 -3.290 1.00 0.22 O ATOM 1517 CB THR A 436 -12.895 12.099 -3.550 1.00 0.23 C ATOM 1518 OG1 THR A 436 -11.943 11.471 -4.417 1.00 0.25 O ATOM 1519 CG2 THR A 436 -12.215 13.250 -2.862 1.00 0.21 C ATOM 0 H THR A 436 -11.442 11.159 -1.751 1.00 0.16 H new ATOM 0 HA THR A 436 -14.334 11.490 -2.044 1.00 0.19 H new ATOM 0 HB THR A 436 -13.745 12.429 -4.147 1.00 0.23 H new ATOM 0 HG1 THR A 436 -11.642 12.114 -5.093 1.00 0.25 H new ATOM 0 HG21 THR A 436 -11.848 13.955 -3.608 1.00 0.21 H new ATOM 0 HG22 THR A 436 -12.926 13.753 -2.206 1.00 0.21 H new ATOM 0 HG23 THR A 436 -11.378 12.878 -2.272 1.00 0.21 H new ATOM 1527 N ARG A 437 -12.592 9.061 -3.345 1.00 0.18 N ATOM 1528 CA ARG A 437 -12.633 7.742 -3.934 1.00 0.20 C ATOM 1529 C ARG A 437 -12.754 6.702 -2.854 1.00 0.20 C ATOM 1530 O ARG A 437 -13.142 5.562 -3.109 1.00 0.24 O ATOM 1531 CB ARG A 437 -11.335 7.521 -4.690 1.00 0.24 C ATOM 1532 CG ARG A 437 -10.881 8.704 -5.423 1.00 0.27 C ATOM 1533 CD ARG A 437 -10.124 8.273 -6.613 1.00 0.40 C ATOM 1534 NE ARG A 437 -10.842 7.267 -7.378 1.00 0.71 N ATOM 1535 CZ ARG A 437 -11.987 7.465 -8.039 1.00 1.26 C ATOM 1536 NH1 ARG A 437 -12.580 8.654 -8.038 1.00 1.82 N1+ ATOM 1537 NH2 ARG A 437 -12.533 6.463 -8.712 1.00 1.47 N ATOM 0 H ARG A 437 -11.648 9.395 -3.151 1.00 0.18 H new ATOM 0 HA ARG A 437 -13.489 7.661 -4.603 1.00 0.20 H new ATOM 0 HB2 ARG A 437 -10.560 7.219 -3.986 1.00 0.24 H new ATOM 0 HB3 ARG A 437 -11.467 6.697 -5.391 1.00 0.24 H new ATOM 0 HG2 ARG A 437 -11.735 9.313 -5.721 1.00 0.27 H new ATOM 0 HG3 ARG A 437 -10.254 9.325 -4.783 1.00 0.27 H new ATOM 0 HD2 ARG A 437 -9.923 9.136 -7.247 1.00 0.40 H new ATOM 0 HD3 ARG A 437 -9.158 7.873 -6.304 1.00 0.40 H new ATOM 0 HE ARG A 437 -10.438 6.331 -7.413 1.00 0.71 H new ATOM 0 HH11 ARG A 437 -12.162 9.432 -7.528 1.00 1.82 H new ATOM 0 HH12 ARG A 437 -13.453 8.789 -8.547 1.00 1.82 H new ATOM 0 HH21 ARG A 437 -12.080 5.549 -8.723 1.00 1.47 H new ATOM 0 HH22 ARG A 437 -13.407 6.605 -9.219 1.00 1.47 H new ATOM 1551 N GLY A 438 -12.399 7.126 -1.646 1.00 0.17 N ATOM 1552 CA GLY A 438 -12.744 6.401 -0.449 1.00 0.18 C ATOM 1553 C GLY A 438 -12.381 4.939 -0.511 1.00 0.21 C ATOM 1554 O GLY A 438 -13.196 4.091 -0.148 1.00 0.24 O ATOM 0 H GLY A 438 -11.866 7.980 -1.479 1.00 0.17 H new ATOM 0 HA2 GLY A 438 -12.239 6.858 0.402 1.00 0.18 H new ATOM 0 HA3 GLY A 438 -13.815 6.495 -0.272 1.00 0.18 H new ATOM 1558 N SER A 439 -11.179 4.617 -0.962 1.00 0.22 N ATOM 1559 CA SER A 439 -10.887 3.238 -1.274 1.00 0.27 C ATOM 1560 C SER A 439 -10.460 2.458 -0.042 1.00 0.27 C ATOM 1561 O SER A 439 -9.367 2.652 0.488 1.00 0.27 O ATOM 1562 CB SER A 439 -9.808 3.166 -2.349 1.00 0.31 C ATOM 1563 OG SER A 439 -10.220 3.871 -3.511 1.00 1.01 O ATOM 0 H SER A 439 -10.414 5.274 -1.115 1.00 0.22 H new ATOM 0 HA SER A 439 -11.802 2.779 -1.649 1.00 0.27 H new ATOM 0 HB2 SER A 439 -8.878 3.590 -1.969 1.00 0.31 H new ATOM 0 HB3 SER A 439 -9.605 2.125 -2.600 1.00 0.31 H new ATOM 0 HG SER A 439 -9.517 3.818 -4.192 1.00 1.01 H new ATOM 1569 N HIS A 440 -11.346 1.553 0.369 1.00 0.29 N ATOM 1570 CA HIS A 440 -11.121 0.633 1.477 1.00 0.32 C ATOM 1571 C HIS A 440 -10.402 1.286 2.663 1.00 0.28 C ATOM 1572 O HIS A 440 -10.804 2.355 3.130 1.00 0.34 O ATOM 1573 CB HIS A 440 -10.369 -0.604 0.988 1.00 0.36 C ATOM 1574 CG HIS A 440 -11.193 -1.532 0.150 1.00 0.40 C ATOM 1575 ND1 HIS A 440 -12.470 -1.905 0.494 1.00 0.45 N ATOM 1576 CD2 HIS A 440 -10.911 -2.185 -1.002 1.00 0.42 C ATOM 1577 CE1 HIS A 440 -12.938 -2.748 -0.396 1.00 0.50 C ATOM 1578 NE2 HIS A 440 -12.017 -2.934 -1.324 1.00 0.48 N ATOM 0 H HIS A 440 -12.260 1.438 -0.070 1.00 0.29 H new ATOM 0 HA HIS A 440 -12.100 0.332 1.849 1.00 0.32 H new ATOM 0 HB2 HIS A 440 -9.502 -0.284 0.410 1.00 0.36 H new ATOM 0 HB3 HIS A 440 -9.992 -1.151 1.852 1.00 0.36 H new ATOM 0 HD1 HIS A 440 -12.977 -1.577 1.316 1.00 0.45 H new ATOM 0 HD2 HIS A 440 -9.990 -2.128 -1.563 1.00 0.42 H new ATOM 0 HE1 HIS A 440 -13.913 -3.212 -0.373 1.00 0.50 H new ATOM 1587 N GLY A 441 -9.341 0.649 3.144 1.00 0.23 N ATOM 1588 CA GLY A 441 -8.642 1.151 4.310 1.00 0.22 C ATOM 1589 C GLY A 441 -7.161 1.385 4.075 1.00 0.17 C ATOM 1590 O GLY A 441 -6.527 2.138 4.816 1.00 0.26 O ATOM 0 H GLY A 441 -8.953 -0.206 2.747 1.00 0.23 H new ATOM 0 HA2 GLY A 441 -9.104 2.087 4.626 1.00 0.22 H new ATOM 0 HA3 GLY A 441 -8.764 0.443 5.130 1.00 0.22 H new ATOM 1594 N CYS A 442 -6.596 0.749 3.051 1.00 0.10 N ATOM 1595 CA CYS A 442 -5.165 0.810 2.843 1.00 0.15 C ATOM 1596 C CYS A 442 -4.761 1.746 1.714 1.00 0.13 C ATOM 1597 O CYS A 442 -5.527 2.604 1.295 1.00 0.21 O ATOM 1598 CB CYS A 442 -4.585 -0.575 2.584 1.00 0.24 C ATOM 1599 SG CYS A 442 -5.194 -1.355 1.073 1.00 0.35 S ATOM 0 H CYS A 442 -7.106 0.194 2.364 1.00 0.10 H new ATOM 0 HA CYS A 442 -4.753 1.214 3.768 1.00 0.15 H new ATOM 0 HB2 CYS A 442 -3.499 -0.499 2.529 1.00 0.24 H new ATOM 0 HB3 CYS A 442 -4.817 -1.219 3.432 1.00 0.24 H new ATOM 1604 N ILE A 443 -3.512 1.618 1.289 1.00 0.09 N ATOM 1605 CA ILE A 443 -2.947 2.489 0.270 1.00 0.07 C ATOM 1606 C ILE A 443 -3.114 1.876 -1.106 1.00 0.08 C ATOM 1607 O ILE A 443 -2.836 0.697 -1.311 1.00 0.12 O ATOM 1608 CB ILE A 443 -1.446 2.767 0.523 1.00 0.07 C ATOM 1609 CG1 ILE A 443 -1.230 3.711 1.717 1.00 0.09 C ATOM 1610 CG2 ILE A 443 -0.780 3.359 -0.722 1.00 0.07 C ATOM 1611 CD1 ILE A 443 -1.651 3.162 3.066 1.00 0.11 C ATOM 0 H ILE A 443 -2.865 0.911 1.639 1.00 0.09 H new ATOM 0 HA ILE A 443 -3.488 3.434 0.320 1.00 0.07 H new ATOM 0 HB ILE A 443 -0.985 1.807 0.757 1.00 0.07 H new ATOM 0 HG12 ILE A 443 -0.173 3.973 1.764 1.00 0.09 H new ATOM 0 HG13 ILE A 443 -1.779 4.634 1.532 1.00 0.09 H new ATOM 0 HG21 ILE A 443 0.274 3.545 -0.517 1.00 0.07 H new ATOM 0 HG22 ILE A 443 -0.870 2.657 -1.551 1.00 0.07 H new ATOM 0 HG23 ILE A 443 -1.269 4.297 -0.985 1.00 0.07 H new ATOM 0 HD11 ILE A 443 -1.456 3.906 3.838 1.00 0.11 H new ATOM 0 HD12 ILE A 443 -2.715 2.928 3.047 1.00 0.11 H new ATOM 0 HD13 ILE A 443 -1.084 2.257 3.283 1.00 0.11 H new ATOM 1623 N ASN A 444 -3.570 2.683 -2.039 1.00 0.08 N ATOM 1624 CA ASN A 444 -3.734 2.236 -3.410 1.00 0.08 C ATOM 1625 C ASN A 444 -2.592 2.766 -4.254 1.00 0.07 C ATOM 1626 O ASN A 444 -2.594 3.927 -4.654 1.00 0.11 O ATOM 1627 CB ASN A 444 -5.077 2.692 -3.979 1.00 0.11 C ATOM 1628 CG ASN A 444 -6.251 1.834 -3.535 1.00 0.27 C ATOM 1629 OD1 ASN A 444 -7.248 1.717 -4.249 1.00 0.62 O ATOM 1630 ND2 ASN A 444 -6.145 1.216 -2.368 1.00 0.15 N ATOM 0 H ASN A 444 -3.835 3.654 -1.875 1.00 0.08 H new ATOM 0 HA ASN A 444 -3.720 1.146 -3.428 1.00 0.08 H new ATOM 0 HB2 ASN A 444 -5.258 3.724 -3.678 1.00 0.11 H new ATOM 0 HB3 ASN A 444 -5.023 2.683 -5.068 1.00 0.11 H new ATOM 0 HD21 ASN A 444 -6.904 0.621 -2.035 1.00 0.15 H new ATOM 0 HD22 ASN A 444 -5.305 1.335 -1.802 1.00 0.15 H new ATOM 1637 N THR A 445 -1.598 1.926 -4.455 1.00 0.08 N ATOM 1638 CA THR A 445 -0.430 2.249 -5.228 1.00 0.08 C ATOM 1639 C THR A 445 -0.574 1.845 -6.683 1.00 0.08 C ATOM 1640 O THR A 445 -1.160 0.832 -6.999 1.00 0.10 O ATOM 1641 CB THR A 445 0.758 1.527 -4.609 1.00 0.06 C ATOM 1642 OG1 THR A 445 0.692 1.598 -3.177 1.00 0.09 O ATOM 1643 CG2 THR A 445 2.033 2.136 -5.069 1.00 0.06 C ATOM 0 H THR A 445 -1.585 0.980 -4.074 1.00 0.08 H new ATOM 0 HA THR A 445 -0.288 3.330 -5.212 1.00 0.08 H new ATOM 0 HB THR A 445 0.723 0.484 -4.923 1.00 0.06 H new ATOM 0 HG1 THR A 445 1.570 1.847 -2.821 1.00 0.09 H new ATOM 0 HG21 THR A 445 2.872 1.608 -4.617 1.00 0.06 H new ATOM 0 HG22 THR A 445 2.100 2.063 -6.154 1.00 0.06 H new ATOM 0 HG23 THR A 445 2.063 3.185 -4.774 1.00 0.06 H new ATOM 1651 N PRO A 446 -0.060 2.686 -7.579 1.00 0.08 N ATOM 1652 CA PRO A 446 -0.026 2.427 -9.016 1.00 0.10 C ATOM 1653 C PRO A 446 0.573 1.108 -9.403 1.00 0.14 C ATOM 1654 O PRO A 446 1.504 0.628 -8.754 1.00 0.24 O ATOM 1655 CB PRO A 446 0.839 3.556 -9.561 1.00 0.10 C ATOM 1656 CG PRO A 446 0.690 4.655 -8.581 1.00 0.08 C ATOM 1657 CD PRO A 446 0.494 4.003 -7.251 1.00 0.07 C ATOM 0 HA PRO A 446 -1.041 2.385 -9.412 1.00 0.10 H new ATOM 0 HB2 PRO A 446 1.880 3.247 -9.653 1.00 0.10 H new ATOM 0 HB3 PRO A 446 0.509 3.864 -10.553 1.00 0.10 H new ATOM 0 HG2 PRO A 446 1.573 5.294 -8.575 1.00 0.08 H new ATOM 0 HG3 PRO A 446 -0.160 5.289 -8.833 1.00 0.08 H new ATOM 0 HD2 PRO A 446 1.434 3.916 -6.707 1.00 0.07 H new ATOM 0 HD3 PRO A 446 -0.186 4.577 -6.622 1.00 0.07 H new ATOM 1665 N PRO A 447 0.040 0.497 -10.435 1.00 0.12 N ATOM 1666 CA PRO A 447 0.453 -0.833 -10.848 1.00 0.12 C ATOM 1667 C PRO A 447 1.968 -0.898 -11.021 1.00 0.14 C ATOM 1668 O PRO A 447 2.682 -1.670 -10.359 1.00 0.31 O ATOM 1669 CB PRO A 447 -0.291 -0.995 -12.164 1.00 0.15 C ATOM 1670 CG PRO A 447 -1.495 -0.170 -11.979 1.00 0.14 C ATOM 1671 CD PRO A 447 -0.994 1.053 -11.315 1.00 0.13 C ATOM 0 HA PRO A 447 0.227 -1.623 -10.132 1.00 0.12 H new ATOM 0 HB2 PRO A 447 0.306 -0.651 -13.008 1.00 0.15 H new ATOM 0 HB3 PRO A 447 -0.544 -2.038 -12.357 1.00 0.15 H new ATOM 0 HG2 PRO A 447 -1.971 0.060 -12.932 1.00 0.14 H new ATOM 0 HG3 PRO A 447 -2.238 -0.681 -11.366 1.00 0.14 H new ATOM 0 HD2 PRO A 447 -0.586 1.770 -12.027 1.00 0.13 H new ATOM 0 HD3 PRO A 447 -1.776 1.568 -10.757 1.00 0.13 H new ATOM 1679 N SER A 448 2.420 0.031 -11.862 1.00 0.12 N ATOM 1680 CA SER A 448 3.776 0.105 -12.383 1.00 0.11 C ATOM 1681 C SER A 448 4.839 0.189 -11.307 1.00 0.09 C ATOM 1682 O SER A 448 6.003 -0.099 -11.546 1.00 0.09 O ATOM 1683 CB SER A 448 3.865 1.343 -13.255 1.00 0.14 C ATOM 1684 OG SER A 448 3.458 2.499 -12.536 1.00 1.10 O ATOM 0 H SER A 448 1.824 0.781 -12.211 1.00 0.12 H new ATOM 0 HA SER A 448 3.969 -0.814 -12.936 1.00 0.11 H new ATOM 0 HB2 SER A 448 4.888 1.471 -13.609 1.00 0.14 H new ATOM 0 HB3 SER A 448 3.236 1.218 -14.137 1.00 0.14 H new ATOM 0 HG SER A 448 3.525 3.286 -13.117 1.00 1.10 H new ATOM 1690 N VAL A 449 4.443 0.665 -10.144 1.00 0.07 N ATOM 1691 CA VAL A 449 5.390 0.931 -9.077 1.00 0.06 C ATOM 1692 C VAL A 449 5.459 -0.176 -8.063 1.00 0.05 C ATOM 1693 O VAL A 449 6.527 -0.650 -7.740 1.00 0.05 O ATOM 1694 CB VAL A 449 5.057 2.255 -8.406 1.00 0.06 C ATOM 1695 CG1 VAL A 449 5.094 3.341 -9.441 1.00 0.08 C ATOM 1696 CG2 VAL A 449 3.713 2.183 -7.746 1.00 0.06 C ATOM 0 H VAL A 449 3.472 0.876 -9.912 1.00 0.07 H new ATOM 0 HA VAL A 449 6.378 0.990 -9.533 1.00 0.06 H new ATOM 0 HB VAL A 449 5.791 2.474 -7.630 1.00 0.06 H new ATOM 0 HG11 VAL A 449 4.857 4.297 -8.974 1.00 0.08 H new ATOM 0 HG12 VAL A 449 6.090 3.390 -9.882 1.00 0.08 H new ATOM 0 HG13 VAL A 449 4.362 3.126 -10.220 1.00 0.08 H new ATOM 0 HG21 VAL A 449 3.490 3.138 -7.271 1.00 0.06 H new ATOM 0 HG22 VAL A 449 2.952 1.963 -8.494 1.00 0.06 H new ATOM 0 HG23 VAL A 449 3.719 1.395 -6.993 1.00 0.06 H new ATOM 1706 N MET A 450 4.341 -0.626 -7.574 1.00 0.05 N ATOM 1707 CA MET A 450 4.370 -1.668 -6.569 1.00 0.05 C ATOM 1708 C MET A 450 4.874 -2.966 -7.173 1.00 0.05 C ATOM 1709 O MET A 450 5.057 -3.959 -6.469 1.00 0.06 O ATOM 1710 CB MET A 450 3.015 -1.828 -5.893 1.00 0.07 C ATOM 1711 CG MET A 450 2.967 -1.325 -4.453 1.00 0.06 C ATOM 1712 SD MET A 450 3.254 -2.619 -3.223 1.00 0.06 S ATOM 1713 CE MET A 450 2.971 -4.087 -4.180 1.00 0.05 C ATOM 0 H MET A 450 3.412 -0.302 -7.842 1.00 0.05 H new ATOM 0 HA MET A 450 5.069 -1.377 -5.785 1.00 0.05 H new ATOM 0 HB2 MET A 450 2.266 -1.294 -6.477 1.00 0.07 H new ATOM 0 HB3 MET A 450 2.738 -2.882 -5.907 1.00 0.07 H new ATOM 0 HG2 MET A 450 3.715 -0.542 -4.326 1.00 0.06 H new ATOM 0 HG3 MET A 450 1.994 -0.870 -4.268 1.00 0.06 H new ATOM 0 HE1 MET A 450 2.884 -4.945 -3.513 1.00 0.05 H new ATOM 0 HE2 MET A 450 2.049 -3.977 -4.752 1.00 0.05 H new ATOM 0 HE3 MET A 450 3.806 -4.242 -4.864 1.00 0.05 H new ATOM 1723 N LYS A 451 5.148 -2.953 -8.456 1.00 0.05 N ATOM 1724 CA LYS A 451 5.758 -4.097 -9.079 1.00 0.05 C ATOM 1725 C LYS A 451 7.248 -4.050 -8.807 1.00 0.05 C ATOM 1726 O LYS A 451 7.905 -5.056 -8.517 1.00 0.06 O ATOM 1727 CB LYS A 451 5.505 -4.077 -10.565 1.00 0.06 C ATOM 1728 CG LYS A 451 6.240 -2.989 -11.211 1.00 0.06 C ATOM 1729 CD LYS A 451 5.989 -2.951 -12.671 1.00 0.08 C ATOM 1730 CE LYS A 451 7.024 -2.106 -13.332 1.00 0.10 C ATOM 1731 NZ LYS A 451 8.265 -2.861 -13.638 1.00 0.92 N1+ ATOM 0 H LYS A 451 4.959 -2.170 -9.081 1.00 0.05 H new ATOM 0 HA LYS A 451 5.331 -5.013 -8.672 1.00 0.05 H new ATOM 0 HB2 LYS A 451 5.804 -5.030 -11.001 1.00 0.06 H new ATOM 0 HB3 LYS A 451 4.438 -3.961 -10.754 1.00 0.06 H new ATOM 0 HG2 LYS A 451 5.948 -2.038 -10.766 1.00 0.06 H new ATOM 0 HG3 LYS A 451 7.308 -3.112 -11.028 1.00 0.06 H new ATOM 0 HD2 LYS A 451 6.012 -3.961 -13.081 1.00 0.08 H new ATOM 0 HD3 LYS A 451 4.995 -2.549 -12.870 1.00 0.08 H new ATOM 0 HE2 LYS A 451 6.616 -1.694 -14.255 1.00 0.10 H new ATOM 0 HE3 LYS A 451 7.266 -1.262 -12.686 1.00 0.10 H new ATOM 0 HZ1 LYS A 451 8.952 -2.229 -14.096 1.00 0.92 H new ATOM 0 HZ2 LYS A 451 8.672 -3.233 -12.756 1.00 0.92 H new ATOM 0 HZ3 LYS A 451 8.042 -3.651 -14.276 1.00 0.92 H new ATOM 1745 N GLU A 452 7.734 -2.809 -8.854 1.00 0.05 N ATOM 1746 CA GLU A 452 9.103 -2.462 -8.683 1.00 0.05 C ATOM 1747 C GLU A 452 9.473 -2.877 -7.321 1.00 0.05 C ATOM 1748 O GLU A 452 10.523 -3.428 -7.050 1.00 0.06 O ATOM 1749 CB GLU A 452 9.183 -0.964 -8.741 1.00 0.05 C ATOM 1750 CG GLU A 452 8.738 -0.386 -10.038 1.00 0.07 C ATOM 1751 CD GLU A 452 9.874 -0.070 -10.984 1.00 0.12 C ATOM 1752 OE1 GLU A 452 10.327 -0.982 -11.706 1.00 0.24 O ATOM 1753 OE2 GLU A 452 10.317 1.097 -11.021 1.00 0.25 O1- ATOM 0 H GLU A 452 7.138 -1.998 -9.021 1.00 0.05 H new ATOM 0 HA GLU A 452 9.746 -2.923 -9.433 1.00 0.05 H new ATOM 0 HB2 GLU A 452 8.573 -0.546 -7.940 1.00 0.05 H new ATOM 0 HB3 GLU A 452 10.212 -0.657 -8.552 1.00 0.05 H new ATOM 0 HG2 GLU A 452 8.057 -1.086 -10.523 1.00 0.07 H new ATOM 0 HG3 GLU A 452 8.174 0.526 -9.845 1.00 0.07 H new ATOM 1760 N LEU A 453 8.557 -2.492 -6.477 1.00 0.04 N ATOM 1761 CA LEU A 453 8.503 -2.837 -5.118 1.00 0.04 C ATOM 1762 C LEU A 453 8.711 -4.285 -4.885 1.00 0.05 C ATOM 1763 O LEU A 453 9.693 -4.663 -4.281 1.00 0.05 O ATOM 1764 CB LEU A 453 7.135 -2.462 -4.633 1.00 0.04 C ATOM 1765 CG LEU A 453 7.132 -1.884 -3.280 1.00 0.04 C ATOM 1766 CD1 LEU A 453 8.306 -1.017 -3.130 1.00 0.03 C ATOM 1767 CD2 LEU A 453 5.923 -1.079 -3.034 1.00 0.05 C ATOM 0 H LEU A 453 7.784 -1.888 -6.758 1.00 0.04 H new ATOM 0 HA LEU A 453 9.300 -2.314 -4.588 1.00 0.04 H new ATOM 0 HB2 LEU A 453 6.696 -1.745 -5.327 1.00 0.04 H new ATOM 0 HB3 LEU A 453 6.499 -3.347 -4.643 1.00 0.04 H new ATOM 0 HG LEU A 453 7.152 -2.705 -2.563 1.00 0.04 H new ATOM 0 HD11 LEU A 453 8.313 -0.584 -2.130 1.00 0.03 H new ATOM 0 HD12 LEU A 453 9.213 -1.604 -3.277 1.00 0.03 H new ATOM 0 HD13 LEU A 453 8.266 -0.219 -3.871 1.00 0.03 H new ATOM 0 HD21 LEU A 453 5.958 -0.669 -2.025 1.00 0.05 H new ATOM 0 HD22 LEU A 453 5.876 -0.263 -3.755 1.00 0.05 H new ATOM 0 HD23 LEU A 453 5.039 -1.708 -3.140 1.00 0.05 H new ATOM 1779 N PHE A 454 7.787 -5.085 -5.338 1.00 0.05 N ATOM 1780 CA PHE A 454 7.944 -6.540 -5.243 1.00 0.06 C ATOM 1781 C PHE A 454 9.351 -6.934 -5.712 1.00 0.07 C ATOM 1782 O PHE A 454 9.913 -7.947 -5.292 1.00 0.09 O ATOM 1783 CB PHE A 454 6.863 -7.278 -6.060 1.00 0.07 C ATOM 1784 CG PHE A 454 7.017 -8.789 -6.090 1.00 0.08 C ATOM 1785 CD1 PHE A 454 7.965 -9.421 -6.900 1.00 0.11 C ATOM 1786 CD2 PHE A 454 6.196 -9.584 -5.302 1.00 0.09 C ATOM 1787 CE1 PHE A 454 8.070 -10.800 -6.910 1.00 0.13 C ATOM 1788 CE2 PHE A 454 6.304 -10.958 -5.318 1.00 0.12 C ATOM 1789 CZ PHE A 454 7.362 -11.553 -6.166 1.00 0.12 C ATOM 0 H PHE A 454 6.919 -4.775 -5.775 1.00 0.05 H new ATOM 0 HA PHE A 454 7.818 -6.837 -4.202 1.00 0.06 H new ATOM 0 HB2 PHE A 454 5.884 -7.034 -5.648 1.00 0.07 H new ATOM 0 HB3 PHE A 454 6.880 -6.903 -7.083 1.00 0.07 H new ATOM 0 HD1 PHE A 454 8.620 -8.829 -7.522 1.00 0.11 H new ATOM 0 HD2 PHE A 454 5.459 -9.117 -4.665 1.00 0.09 H new ATOM 0 HE1 PHE A 454 8.784 -11.258 -7.578 1.00 0.13 H new ATOM 0 HE2 PHE A 454 5.641 -11.578 -4.733 1.00 0.12 H new ATOM 0 HZ PHE A 454 7.532 -12.619 -6.154 1.00 0.12 H new ATOM 1799 N GLY A 455 9.943 -6.056 -6.517 1.00 0.06 N ATOM 1800 CA GLY A 455 11.233 -6.330 -7.100 1.00 0.08 C ATOM 1801 C GLY A 455 12.364 -5.854 -6.213 1.00 0.08 C ATOM 1802 O GLY A 455 13.496 -6.317 -6.344 1.00 0.13 O ATOM 0 H GLY A 455 9.543 -5.154 -6.774 1.00 0.06 H new ATOM 0 HA2 GLY A 455 11.333 -7.401 -7.273 1.00 0.08 H new ATOM 0 HA3 GLY A 455 11.304 -5.842 -8.072 1.00 0.08 H new ATOM 1806 N MET A 456 12.075 -4.897 -5.331 1.00 0.06 N ATOM 1807 CA MET A 456 13.064 -4.437 -4.382 1.00 0.05 C ATOM 1808 C MET A 456 12.821 -4.909 -2.978 1.00 0.05 C ATOM 1809 O MET A 456 13.755 -5.304 -2.284 1.00 0.06 O ATOM 1810 CB MET A 456 13.170 -2.941 -4.375 1.00 0.05 C ATOM 1811 CG MET A 456 11.877 -2.250 -4.519 1.00 0.04 C ATOM 1812 SD MET A 456 11.901 -1.066 -5.851 1.00 0.05 S ATOM 1813 CE MET A 456 10.449 -0.202 -5.371 1.00 0.04 C ATOM 0 H MET A 456 11.169 -4.434 -5.261 1.00 0.06 H new ATOM 0 HA MET A 456 14.000 -4.878 -4.725 1.00 0.05 H new ATOM 0 HB2 MET A 456 13.638 -2.624 -3.443 1.00 0.05 H new ATOM 0 HB3 MET A 456 13.829 -2.630 -5.185 1.00 0.05 H new ATOM 0 HG2 MET A 456 11.091 -2.984 -4.700 1.00 0.04 H new ATOM 0 HG3 MET A 456 11.631 -1.742 -3.586 1.00 0.04 H new ATOM 0 HE1 MET A 456 9.633 -0.460 -6.046 1.00 0.04 H new ATOM 0 HE2 MET A 456 10.180 -0.481 -4.352 1.00 0.04 H new ATOM 0 HE3 MET A 456 10.632 0.871 -5.417 1.00 0.04 H new ATOM 1823 N VAL A 457 11.595 -4.839 -2.534 1.00 0.05 N ATOM 1824 CA VAL A 457 11.297 -5.271 -1.196 1.00 0.05 C ATOM 1825 C VAL A 457 11.331 -6.762 -1.087 1.00 0.07 C ATOM 1826 O VAL A 457 11.059 -7.501 -2.036 1.00 0.08 O ATOM 1827 CB VAL A 457 9.979 -4.709 -0.633 1.00 0.05 C ATOM 1828 CG1 VAL A 457 9.210 -3.917 -1.666 1.00 0.04 C ATOM 1829 CG2 VAL A 457 9.124 -5.810 -0.035 1.00 0.05 C ATOM 0 H VAL A 457 10.798 -4.493 -3.069 1.00 0.05 H new ATOM 0 HA VAL A 457 12.088 -4.852 -0.574 1.00 0.05 H new ATOM 0 HB VAL A 457 10.243 -4.017 0.166 1.00 0.05 H new ATOM 0 HG11 VAL A 457 8.288 -3.540 -1.223 1.00 0.04 H new ATOM 0 HG12 VAL A 457 9.817 -3.079 -2.008 1.00 0.04 H new ATOM 0 HG13 VAL A 457 8.970 -4.560 -2.513 1.00 0.04 H new ATOM 0 HG21 VAL A 457 8.200 -5.382 0.354 1.00 0.05 H new ATOM 0 HG22 VAL A 457 8.888 -6.545 -0.804 1.00 0.05 H new ATOM 0 HG23 VAL A 457 9.669 -6.295 0.775 1.00 0.05 H new ATOM 1839 N GLU A 458 11.705 -7.178 0.086 1.00 0.08 N ATOM 1840 CA GLU A 458 11.827 -8.554 0.393 1.00 0.10 C ATOM 1841 C GLU A 458 10.876 -8.880 1.514 1.00 0.09 C ATOM 1842 O GLU A 458 10.447 -7.990 2.245 1.00 0.10 O ATOM 1843 CB GLU A 458 13.260 -8.833 0.820 1.00 0.13 C ATOM 1844 CG GLU A 458 14.108 -7.591 0.838 1.00 0.20 C ATOM 1845 CD GLU A 458 15.433 -7.772 1.546 1.00 0.27 C ATOM 1846 OE1 GLU A 458 16.388 -8.278 0.919 1.00 0.48 O1- ATOM 1847 OE2 GLU A 458 15.527 -7.417 2.740 1.00 0.46 O ATOM 0 H GLU A 458 11.935 -6.555 0.860 1.00 0.08 H new ATOM 0 HA GLU A 458 11.586 -9.168 -0.475 1.00 0.10 H new ATOM 0 HB2 GLU A 458 13.259 -9.283 1.813 1.00 0.13 H new ATOM 0 HB3 GLU A 458 13.703 -9.562 0.141 1.00 0.13 H new ATOM 0 HG2 GLU A 458 14.294 -7.273 -0.188 1.00 0.20 H new ATOM 0 HG3 GLU A 458 13.553 -6.789 1.324 1.00 0.20 H new ATOM 1854 N LYS A 459 10.501 -10.140 1.613 1.00 0.11 N ATOM 1855 CA LYS A 459 9.751 -10.596 2.755 1.00 0.13 C ATOM 1856 C LYS A 459 10.553 -10.340 3.997 1.00 0.15 C ATOM 1857 O LYS A 459 11.482 -11.078 4.329 1.00 0.18 O ATOM 1858 CB LYS A 459 9.390 -12.061 2.656 1.00 0.16 C ATOM 1859 CG LYS A 459 8.487 -12.330 1.486 1.00 0.22 C ATOM 1860 CD LYS A 459 9.162 -13.182 0.448 1.00 0.70 C ATOM 1861 CE LYS A 459 9.223 -14.636 0.886 1.00 0.40 C ATOM 1862 NZ LYS A 459 9.892 -15.501 -0.120 1.00 0.99 N1+ ATOM 0 H LYS A 459 10.704 -10.859 0.918 1.00 0.11 H new ATOM 0 HA LYS A 459 8.813 -10.042 2.790 1.00 0.13 H new ATOM 0 HB2 LYS A 459 10.299 -12.655 2.559 1.00 0.16 H new ATOM 0 HB3 LYS A 459 8.899 -12.378 3.576 1.00 0.16 H new ATOM 0 HG2 LYS A 459 7.581 -12.827 1.832 1.00 0.22 H new ATOM 0 HG3 LYS A 459 8.180 -11.385 1.038 1.00 0.22 H new ATOM 0 HD2 LYS A 459 8.622 -13.106 -0.496 1.00 0.70 H new ATOM 0 HD3 LYS A 459 10.171 -12.811 0.269 1.00 0.70 H new ATOM 0 HE2 LYS A 459 9.757 -14.705 1.834 1.00 0.40 H new ATOM 0 HE3 LYS A 459 8.212 -15.003 1.062 1.00 0.40 H new ATOM 0 HZ1 LYS A 459 9.910 -16.483 0.223 1.00 0.99 H new ATOM 0 HZ2 LYS A 459 9.369 -15.457 -1.018 1.00 0.99 H new ATOM 0 HZ3 LYS A 459 10.866 -15.169 -0.270 1.00 0.99 H new ATOM 1876 N GLY A 460 10.167 -9.288 4.671 1.00 0.15 N ATOM 1877 CA GLY A 460 10.888 -8.844 5.839 1.00 0.19 C ATOM 1878 C GLY A 460 11.165 -7.359 5.790 1.00 0.15 C ATOM 1879 O GLY A 460 11.609 -6.772 6.770 1.00 0.17 O ATOM 0 H GLY A 460 9.355 -8.720 4.431 1.00 0.15 H new ATOM 0 HA2 GLY A 460 10.312 -9.078 6.734 1.00 0.19 H new ATOM 0 HA3 GLY A 460 11.829 -9.388 5.915 1.00 0.19 H new ATOM 1883 N THR A 461 10.918 -6.762 4.636 1.00 0.12 N ATOM 1884 CA THR A 461 10.955 -5.328 4.480 1.00 0.07 C ATOM 1885 C THR A 461 9.790 -4.713 5.248 1.00 0.08 C ATOM 1886 O THR A 461 8.773 -5.363 5.462 1.00 0.13 O ATOM 1887 CB THR A 461 10.873 -4.978 2.971 1.00 0.06 C ATOM 1888 OG1 THR A 461 12.093 -5.333 2.306 1.00 0.08 O ATOM 1889 CG2 THR A 461 10.573 -3.513 2.746 1.00 0.05 C ATOM 0 H THR A 461 10.686 -7.266 3.780 1.00 0.12 H new ATOM 0 HA THR A 461 11.886 -4.925 4.879 1.00 0.07 H new ATOM 0 HB THR A 461 10.050 -5.556 2.551 1.00 0.06 H new ATOM 0 HG1 THR A 461 12.324 -4.639 1.654 1.00 0.08 H new ATOM 0 HG21 THR A 461 10.524 -3.312 1.676 1.00 0.05 H new ATOM 0 HG22 THR A 461 9.617 -3.262 3.206 1.00 0.05 H new ATOM 0 HG23 THR A 461 11.361 -2.907 3.194 1.00 0.05 H new ATOM 1897 N PRO A 462 9.923 -3.484 5.741 1.00 0.09 N ATOM 1898 CA PRO A 462 8.859 -2.808 6.406 1.00 0.14 C ATOM 1899 C PRO A 462 8.102 -1.942 5.428 1.00 0.13 C ATOM 1900 O PRO A 462 8.587 -1.651 4.334 1.00 0.18 O ATOM 1901 CB PRO A 462 9.599 -1.955 7.445 1.00 0.18 C ATOM 1902 CG PRO A 462 11.053 -2.102 7.115 1.00 0.13 C ATOM 1903 CD PRO A 462 11.095 -2.627 5.729 1.00 0.09 C ATOM 0 HA PRO A 462 8.120 -3.474 6.851 1.00 0.14 H new ATOM 0 HB2 PRO A 462 9.287 -0.912 7.391 1.00 0.18 H new ATOM 0 HB3 PRO A 462 9.389 -2.299 8.458 1.00 0.18 H new ATOM 0 HG2 PRO A 462 11.570 -1.145 7.188 1.00 0.13 H new ATOM 0 HG3 PRO A 462 11.545 -2.784 7.808 1.00 0.13 H new ATOM 0 HD2 PRO A 462 11.024 -1.836 4.983 1.00 0.09 H new ATOM 0 HD3 PRO A 462 12.012 -3.179 5.521 1.00 0.09 H new ATOM 1911 N VAL A 463 6.929 -1.535 5.800 1.00 0.09 N ATOM 1912 CA VAL A 463 6.218 -0.564 5.015 1.00 0.09 C ATOM 1913 C VAL A 463 5.826 0.558 5.926 1.00 0.08 C ATOM 1914 O VAL A 463 5.665 0.379 7.124 1.00 0.10 O ATOM 1915 CB VAL A 463 4.953 -1.101 4.331 1.00 0.19 C ATOM 1916 CG1 VAL A 463 5.201 -2.460 3.710 1.00 0.57 C ATOM 1917 CG2 VAL A 463 3.819 -1.133 5.324 1.00 0.54 C ATOM 0 H VAL A 463 6.442 -1.855 6.637 1.00 0.09 H new ATOM 0 HA VAL A 463 6.887 -0.251 4.213 1.00 0.09 H new ATOM 0 HB VAL A 463 4.676 -0.433 3.515 1.00 0.19 H new ATOM 0 HG11 VAL A 463 4.287 -2.814 3.233 1.00 0.57 H new ATOM 0 HG12 VAL A 463 5.992 -2.380 2.964 1.00 0.57 H new ATOM 0 HG13 VAL A 463 5.503 -3.165 4.485 1.00 0.57 H new ATOM 0 HG21 VAL A 463 2.921 -1.514 4.838 1.00 0.54 H new ATOM 0 HG22 VAL A 463 4.084 -1.783 6.158 1.00 0.54 H new ATOM 0 HG23 VAL A 463 3.631 -0.125 5.694 1.00 0.54 H new ATOM 1927 N LEU A 464 5.742 1.713 5.390 1.00 0.07 N ATOM 1928 CA LEU A 464 5.290 2.827 6.137 1.00 0.07 C ATOM 1929 C LEU A 464 4.311 3.572 5.318 1.00 0.07 C ATOM 1930 O LEU A 464 4.338 3.492 4.108 1.00 0.09 O ATOM 1931 CB LEU A 464 6.455 3.712 6.494 1.00 0.10 C ATOM 1932 CG LEU A 464 7.441 3.097 7.444 1.00 0.10 C ATOM 1933 CD1 LEU A 464 8.476 2.336 6.686 1.00 0.09 C ATOM 1934 CD2 LEU A 464 8.066 4.176 8.287 1.00 0.13 C ATOM 0 H LEU A 464 5.984 1.917 4.420 1.00 0.07 H new ATOM 0 HA LEU A 464 4.819 2.494 7.062 1.00 0.07 H new ATOM 0 HB2 LEU A 464 6.977 3.989 5.578 1.00 0.10 H new ATOM 0 HB3 LEU A 464 6.073 4.633 6.934 1.00 0.10 H new ATOM 0 HG LEU A 464 6.928 2.397 8.104 1.00 0.10 H new ATOM 0 HD11 LEU A 464 9.187 1.894 7.384 1.00 0.09 H new ATOM 0 HD12 LEU A 464 7.996 1.546 6.108 1.00 0.09 H new ATOM 0 HD13 LEU A 464 9.003 3.011 6.011 1.00 0.09 H new ATOM 0 HD21 LEU A 464 8.782 3.730 8.977 1.00 0.13 H new ATOM 0 HD22 LEU A 464 8.579 4.890 7.643 1.00 0.13 H new ATOM 0 HD23 LEU A 464 7.290 4.691 8.853 1.00 0.13 H new ATOM 1946 N VAL A 465 3.394 4.194 5.984 1.00 0.06 N ATOM 1947 CA VAL A 465 2.556 5.196 5.384 1.00 0.05 C ATOM 1948 C VAL A 465 2.453 6.293 6.403 1.00 0.08 C ATOM 1949 O VAL A 465 2.487 5.983 7.574 1.00 0.10 O ATOM 1950 CB VAL A 465 1.169 4.633 4.975 1.00 0.07 C ATOM 1951 CG1 VAL A 465 1.254 3.144 4.728 1.00 0.09 C ATOM 1952 CG2 VAL A 465 0.116 4.958 5.983 1.00 0.08 C ATOM 0 H VAL A 465 3.199 4.024 6.970 1.00 0.06 H new ATOM 0 HA VAL A 465 2.981 5.565 4.451 1.00 0.05 H new ATOM 0 HB VAL A 465 0.875 5.119 4.045 1.00 0.07 H new ATOM 0 HG11 VAL A 465 0.272 2.766 4.442 1.00 0.09 H new ATOM 0 HG12 VAL A 465 1.966 2.948 3.926 1.00 0.09 H new ATOM 0 HG13 VAL A 465 1.585 2.643 5.637 1.00 0.09 H new ATOM 0 HG21 VAL A 465 -0.839 4.545 5.658 1.00 0.08 H new ATOM 0 HG22 VAL A 465 0.389 4.526 6.946 1.00 0.08 H new ATOM 0 HG23 VAL A 465 0.029 6.040 6.082 1.00 0.08 H new ATOM 1962 N PHE A 466 2.455 7.549 5.976 1.00 0.10 N ATOM 1963 CA PHE A 466 2.413 8.688 6.893 1.00 0.15 C ATOM 1964 C PHE A 466 2.446 10.013 6.145 1.00 0.21 C ATOM 1965 O PHE A 466 1.370 10.447 5.685 1.00 1.09 O ATOM 1966 CB PHE A 466 3.540 8.607 7.942 1.00 0.17 C ATOM 1967 CG PHE A 466 4.936 8.398 7.408 1.00 0.20 C ATOM 1968 CD1 PHE A 466 5.305 7.162 6.950 1.00 0.14 C ATOM 1969 CD2 PHE A 466 5.869 9.421 7.389 1.00 0.36 C ATOM 1970 CE1 PHE A 466 6.582 6.930 6.469 1.00 0.20 C ATOM 1971 CE2 PHE A 466 7.148 9.203 6.909 1.00 0.41 C ATOM 1972 CZ PHE A 466 7.501 7.952 6.448 1.00 0.30 C ATOM 1973 OXT PHE A 466 3.528 10.617 6.029 1.00 1.06 O ATOM 0 H PHE A 466 2.486 7.810 4.990 1.00 0.10 H new ATOM 0 HA PHE A 466 1.463 8.640 7.425 1.00 0.15 H new ATOM 0 HB2 PHE A 466 3.531 9.528 8.526 1.00 0.17 H new ATOM 0 HB3 PHE A 466 3.311 7.792 8.629 1.00 0.17 H new ATOM 0 HD1 PHE A 466 4.588 6.355 6.964 1.00 0.14 H new ATOM 0 HD2 PHE A 466 5.595 10.400 7.753 1.00 0.36 H new ATOM 0 HE1 PHE A 466 6.856 5.948 6.111 1.00 0.20 H new ATOM 0 HE2 PHE A 466 7.867 10.009 6.895 1.00 0.41 H new ATOM 0 HZ PHE A 466 8.498 7.776 6.071 1.00 0.30 H new TER 1983 PHE A 466 HETATM 1984 C 1RG A 130 -11.171 -5.235 8.883 1.00 2.42 C HETATM 1985 N 1RG A 130 -9.579 -6.257 7.321 1.00 2.70 N HETATM 1986 O 1RG A 130 -11.793 -4.812 7.910 1.00 2.05 O HETATM 1987 CA 1RG A 130 -9.731 -5.724 8.698 1.00 2.68 C HETATM 1988 CB 1RG A 130 -8.739 -4.559 8.797 1.00 2.20 C HETATM 1989 CD 1RG A 130 -8.320 -5.701 6.824 1.00 2.17 C HETATM 1990 CG 1RG A 130 -8.337 -4.288 7.370 1.00 1.53 C HETATM 1991 CAA 1RG A 130 -6.711 -2.044 1.600 1.00 0.28 C HETATM 1992 CAB 1RG A 130 -6.655 -3.541 2.069 1.00 0.19 C HETATM 1993 OAC 1RG A 130 -7.758 -1.413 1.616 1.00 0.43 O HETATM 1994 CAD 1RG A 130 -7.878 -3.834 3.025 1.00 0.25 C HETATM 1995 CAE 1RG A 130 -6.554 -4.510 0.905 1.00 0.15 C HETATM 1996 CAF 1RG A 130 -6.489 -5.951 1.387 1.00 0.11 C HETATM 1997 OAG 1RG A 130 -7.689 -4.354 0.046 1.00 0.20 O HETATM 1998 CAH 1RG A 130 -7.679 -3.434 4.482 1.00 0.33 C HETATM 1999 CAI 1RG A 130 -9.005 -3.267 4.893 1.00 0.37 C HETATM 2000 NAJ 1RG A 130 -9.079 -3.063 2.674 1.00 0.34 N HETATM 2001 SAK 1RG A 130 -9.583 -3.335 6.550 1.00 0.71 S HETATM 2002 CAL 1RG A 130 -9.782 -3.090 3.807 1.00 0.33 C HETATM 2003 CAM 1RG A 130 -11.118 -2.952 3.893 1.00 0.53 C HETATM 2004 CAS 1RG A 130 -6.897 -2.135 4.650 1.00 0.41 C HETATM 2005 OAT 1RG A 130 -11.784 -2.810 2.855 1.00 0.66 O HETATM 2006 OAU 1RG A 130 -11.709 -2.969 4.986 1.00 0.67 O HETATM 2007 NAX 1RG A 130 -11.646 -5.338 10.161 1.00 2.87 N HETATM 2008 CAY 1RG A 130 -12.909 -4.922 10.458 1.00 2.84 C HETATM 2009 CAZ 1RG A 130 -13.357 -5.046 11.775 1.00 3.47 C HETATM 2010 CBA 1RG A 130 -14.643 -4.633 12.121 1.00 3.58 C HETATM 2011 CBB 1RG A 130 -15.485 -4.096 11.152 1.00 3.10 C HETATM 2012 CBC 1RG A 130 -15.050 -3.974 9.847 1.00 2.54 C HETATM 2013 CBD 1RG A 130 -13.774 -4.381 9.498 1.00 2.37 C HETATM 2014 CBE 1RG A 130 -15.088 -4.756 13.436 1.00 4.28 C HETATM 2015 OBF 1RG A 130 -16.236 -4.386 13.763 1.00 4.45 O HETATM 2016 OBG 1RG A 130 -14.353 -5.238 14.321 1.00 4.82 O HETATM 0 HOBF 1RG A 130 -16.462 -4.759 14.641 1.00 4.45 H new HETATM 0 HOAG 1RG A 130 -8.491 -4.687 0.500 1.00 0.20 H new HETATM 0 HNAX 1RG A 130 -11.053 -5.727 10.894 1.00 2.87 H new HETATM 0 HNAJ 1RG A 130 -9.315 -2.619 1.787 1.00 0.34 H new HETATM 0 HASB 1RG A 130 -5.909 -2.244 4.202 1.00 0.41 H new HETATM 0 HASA 1RG A 130 -7.431 -1.323 4.157 1.00 0.41 H new HETATM 0 HAFB 1RG A 130 -5.614 -6.083 2.023 1.00 0.11 H new HETATM 0 HAFA 1RG A 130 -7.389 -6.186 1.955 1.00 0.11 H new HETATM 0 HN 1RG A 130 -10.217 -6.879 6.826 1.00 2.70 H new HETATM 0 HG 1RG A 130 -7.407 -3.732 7.251 1.00 1.53 H new HETATM 0 HDA 1RG A 130 -7.459 -6.264 7.185 1.00 2.17 H new HETATM 0 HD 1RG A 130 -8.275 -5.713 5.735 1.00 2.17 H new HETATM 0 HBD 1RG A 130 -13.439 -4.280 8.466 1.00 2.37 H new HETATM 0 HBC 1RG A 130 -15.713 -3.556 9.090 1.00 2.54 H new HETATM 0 HBB 1RG A 130 -16.489 -3.771 11.423 1.00 3.10 H new HETATM 0 HBA 1RG A 130 -9.199 -3.683 9.254 1.00 2.20 H new HETATM 0 HB 1RG A 130 -7.877 -4.822 9.410 1.00 2.20 H new HETATM 0 HAZ 1RG A 130 -12.699 -5.467 12.535 1.00 3.47 H new HETATM 0 HAS 1RG A 130 -6.791 -1.909 5.711 1.00 0.41 H new HETATM 0 HAH 1RG A 130 -7.098 -4.161 5.049 1.00 0.33 H new HETATM 0 HAF 1RG A 130 -6.417 -6.619 0.529 1.00 0.11 H new HETATM 0 HAE 1RG A 130 -5.637 -4.285 0.361 1.00 0.15 H new HETATM 0 HAD 1RG A 130 -7.975 -4.913 2.901 1.00 0.25 H new HETATM 0 HAB 1RG A 130 -5.738 -3.701 2.637 1.00 0.19 H new HETATM 0 HA 1RG A 130 -9.533 -6.470 9.468 1.00 2.68 H new