USER MOD reduce.3.24.130724 H: found=0, std=0, add=954, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 956 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 421 HIS : no HE2:sc= -8.26! C(o=-15!,f=-11!) USER MOD Set 1.2: A 423 SER OG : rot -57:sc= -0.0961 USER MOD Set 1.3: A 426 GLN : amide:sc= -1.17! C(o=-15!,f=-21!) USER MOD Set 1.4: A 439 SER OG : rot -50:sc= -0.169 USER MOD Set 1.5: A 442 CYS SG : rot 180:sc= -0.659 USER MOD Set 1.6: A 444 ASN : amide:sc= -4.79! C(o=-15!,f=-21!) USER MOD Set 2.1: A 411 MET CE :methyl -172:sc= -7.68! (180deg=-8.24!) USER MOD Set 2.2: A 450 MET CE :methyl 153:sc= -3.67 (180deg=-5.72!) USER MOD Set 3.1: A 370 SER OG : rot 50:sc= 0.534 USER MOD Set 3.2: A 377 THR OG1 : rot -125:sc= 1.17 USER MOD Set 4.1: A 372 LYS NZ :NH3+ 146:sc= -0.0141 (180deg=-0.291) USER MOD Set 4.2: A 374 THR OG1 : rot -163:sc= -2.83! USER MOD Set 4.3: A 375 THR OG1 : rot 63:sc= 0.234 USER MOD Set 4.4: A 440 HIS : no HD1:sc= -2.45! C(o=-5.1!,f=-7.8!) USER MOD Single : A 339 HIS : no HE2:sc= -1.77 X(o=-1.8,f=-1.4) USER MOD Single : A 340 MET CE :methyl -162:sc= -0.427 (180deg=-1.64!) USER MOD Single : A 343 THR OG1 : rot 180:sc= 0 USER MOD Single : A 344 TYR OH : rot -66:sc= 0.285 USER MOD Single : A 351 ASN : amide:sc= -0.246 X(o=-0.25,f=0) USER MOD Single : A 352 GLN : amide:sc= -5.68! C(o=-5.7!,f=-7.4!) USER MOD Single : A 353 HIS : no HE2:sc= -3.34! C(o=-3.3!,f=-3.2!) USER MOD Single : A 354 MET CE :methyl -177:sc= -5.84! (180deg=-6.01!) USER MOD Single : A 356 TYR OH : rot 180:sc= 0 USER MOD Single : A 357 TYR OH : rot 50:sc= 0.326 USER MOD Single : A 358 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 361 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 366 THR OG1 : rot 70:sc= -2.18! USER MOD Single : A 383 TYR OH : rot 180:sc= 0 USER MOD Single : A 386 ASN : amide:sc= -1.96 K(o=-2,f=-0.38) USER MOD Single : A 387 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 392 THR OG1 : rot 180:sc= 0 USER MOD Single : A 394 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 396 THR OG1 : rot 180:sc= 0 USER MOD Single : A 397 ASN : amide:sc= -3.35 K(o=-3.4,f=-0.46) USER MOD Single : A 401 THR OG1 : rot -94:sc= 0.768 USER MOD Single : A 403 TYR OH : rot 30:sc= -1.9! USER MOD Single : A 405 SER OG : rot 55:sc= -4.06! USER MOD Single : A 408 ASN : amide:sc= -1.45! K(o=-1.4!,f=-0.14) USER MOD Single : A 409 TYR OH : rot 130:sc= -0.0101 USER MOD Single : A 416 THR OG1 : rot 11:sc= 0.743 USER MOD Single : A 429 TYR OH : rot 180:sc= 0 USER MOD Single : A 435 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 436 THR OG1 : rot -35:sc= 0.516 USER MOD Single : A 445 THR OG1 : rot -149:sc= 0.839 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 172:sc= -4.97! (180deg=-5.05!) USER MOD Single : A 459 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 461 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 338 -15.823 -7.436 2.559 1.00 3.94 N ATOM 2 CA GLY A 338 -14.897 -8.595 2.593 1.00 3.08 C ATOM 3 C GLY A 338 -14.340 -8.813 3.978 1.00 2.42 C ATOM 4 O GLY A 338 -15.008 -9.386 4.840 1.00 2.77 O ATOM 0 HA2 GLY A 338 -15.422 -9.492 2.265 1.00 3.08 H new ATOM 0 HA3 GLY A 338 -14.079 -8.430 1.892 1.00 3.08 H new ATOM 10 N HIS A 339 -13.115 -8.361 4.196 1.00 1.85 N ATOM 11 CA HIS A 339 -12.542 -8.350 5.529 1.00 1.24 C ATOM 12 C HIS A 339 -13.095 -7.159 6.276 1.00 1.07 C ATOM 13 O HIS A 339 -12.544 -6.063 6.210 1.00 1.60 O ATOM 14 CB HIS A 339 -11.027 -8.306 5.442 1.00 1.08 C ATOM 15 CG HIS A 339 -10.292 -8.429 6.745 1.00 0.56 C ATOM 16 ND1 HIS A 339 -9.069 -9.050 6.845 1.00 0.65 N ATOM 17 CD2 HIS A 339 -10.570 -7.957 7.983 1.00 1.00 C ATOM 18 CE1 HIS A 339 -8.625 -8.950 8.081 1.00 1.30 C ATOM 19 NE2 HIS A 339 -9.518 -8.294 8.795 1.00 1.60 N ATOM 0 H HIS A 339 -12.501 -7.998 3.467 1.00 1.85 H new ATOM 0 HA HIS A 339 -12.808 -9.259 6.069 1.00 1.24 H new ATOM 0 HB2 HIS A 339 -10.697 -9.109 4.783 1.00 1.08 H new ATOM 0 HB3 HIS A 339 -10.737 -7.367 4.970 1.00 1.08 H new ATOM 0 HD1 HIS A 339 -8.581 -9.516 6.080 1.00 0.65 H new ATOM 0 HD2 HIS A 339 -11.457 -7.415 8.277 1.00 1.00 H new ATOM 0 HE1 HIS A 339 -7.687 -9.340 8.448 1.00 1.30 H new ATOM 28 N MET A 340 -14.174 -7.431 7.000 1.00 0.83 N ATOM 29 CA MET A 340 -15.051 -6.420 7.577 1.00 0.69 C ATOM 30 C MET A 340 -15.995 -5.881 6.517 1.00 0.64 C ATOM 31 O MET A 340 -15.887 -6.208 5.334 1.00 0.83 O ATOM 32 CB MET A 340 -14.261 -5.286 8.204 1.00 0.61 C ATOM 33 CG MET A 340 -13.703 -5.603 9.559 1.00 0.72 C ATOM 34 SD MET A 340 -12.812 -4.219 10.285 1.00 1.03 S ATOM 35 CE MET A 340 -11.799 -3.757 8.890 1.00 0.58 C ATOM 0 H MET A 340 -14.471 -8.385 7.207 1.00 0.83 H new ATOM 0 HA MET A 340 -15.632 -6.894 8.368 1.00 0.69 H new ATOM 0 HB2 MET A 340 -13.440 -5.018 7.539 1.00 0.61 H new ATOM 0 HB3 MET A 340 -14.905 -4.410 8.284 1.00 0.61 H new ATOM 0 HG2 MET A 340 -14.517 -5.894 10.223 1.00 0.72 H new ATOM 0 HG3 MET A 340 -13.033 -6.460 9.480 1.00 0.72 H new ATOM 0 HE1 MET A 340 -10.967 -3.141 9.232 1.00 0.58 H new ATOM 0 HE2 MET A 340 -11.412 -4.655 8.408 1.00 0.58 H new ATOM 0 HE3 MET A 340 -12.399 -3.192 8.176 1.00 0.58 H new ATOM 45 N GLU A 341 -16.927 -5.067 6.960 1.00 0.56 N ATOM 46 CA GLU A 341 -17.996 -4.592 6.125 1.00 0.57 C ATOM 47 C GLU A 341 -17.803 -3.133 5.747 1.00 0.46 C ATOM 48 O GLU A 341 -18.538 -2.596 4.915 1.00 0.49 O ATOM 49 CB GLU A 341 -19.309 -4.757 6.860 1.00 0.73 C ATOM 50 CG GLU A 341 -19.382 -3.933 8.126 1.00 0.76 C ATOM 51 CD GLU A 341 -20.688 -4.109 8.869 1.00 0.97 C ATOM 52 OE1 GLU A 341 -21.675 -3.441 8.502 1.00 1.10 O ATOM 53 OE2 GLU A 341 -20.734 -4.918 9.819 1.00 1.08 O1- ATOM 0 H GLU A 341 -16.960 -4.716 7.917 1.00 0.56 H new ATOM 0 HA GLU A 341 -18.000 -5.177 5.206 1.00 0.57 H new ATOM 0 HB2 GLU A 341 -20.128 -4.472 6.199 1.00 0.73 H new ATOM 0 HB3 GLU A 341 -19.451 -5.809 7.108 1.00 0.73 H new ATOM 0 HG2 GLU A 341 -18.557 -4.210 8.782 1.00 0.76 H new ATOM 0 HG3 GLU A 341 -19.251 -2.880 7.876 1.00 0.76 H new ATOM 60 N ASP A 342 -16.841 -2.507 6.376 1.00 0.38 N ATOM 61 CA ASP A 342 -16.503 -1.112 6.128 1.00 0.32 C ATOM 62 C ASP A 342 -16.146 -0.814 4.690 1.00 0.25 C ATOM 63 O ASP A 342 -16.015 -1.691 3.830 1.00 0.27 O ATOM 64 CB ASP A 342 -15.343 -0.648 6.975 1.00 0.34 C ATOM 65 CG ASP A 342 -15.723 -0.379 8.415 1.00 0.62 C ATOM 66 OD1 ASP A 342 -16.159 -1.326 9.106 1.00 0.79 O ATOM 67 OD2 ASP A 342 -15.574 0.772 8.870 1.00 0.98 O1- ATOM 0 H ASP A 342 -16.258 -2.950 7.086 1.00 0.38 H new ATOM 0 HA ASP A 342 -17.416 -0.577 6.388 1.00 0.32 H new ATOM 0 HB2 ASP A 342 -14.558 -1.404 6.949 1.00 0.34 H new ATOM 0 HB3 ASP A 342 -14.926 0.261 6.541 1.00 0.34 H new ATOM 72 N THR A 343 -16.114 0.465 4.435 1.00 0.23 N ATOM 73 CA THR A 343 -15.517 1.000 3.253 1.00 0.19 C ATOM 74 C THR A 343 -14.082 1.343 3.599 1.00 0.13 C ATOM 75 O THR A 343 -13.835 2.119 4.518 1.00 0.16 O ATOM 76 CB THR A 343 -16.251 2.275 2.830 1.00 0.24 C ATOM 77 OG1 THR A 343 -17.665 2.095 2.990 1.00 0.45 O ATOM 78 CG2 THR A 343 -15.953 2.611 1.394 1.00 0.20 C ATOM 0 H THR A 343 -16.509 1.172 5.055 1.00 0.23 H new ATOM 0 HA THR A 343 -15.569 0.282 2.435 1.00 0.19 H new ATOM 0 HB THR A 343 -15.907 3.094 3.461 1.00 0.24 H new ATOM 0 HG1 THR A 343 -18.132 2.913 2.720 1.00 0.45 H new ATOM 0 HG21 THR A 343 -16.485 3.521 1.115 1.00 0.20 H new ATOM 0 HG22 THR A 343 -14.881 2.766 1.271 1.00 0.20 H new ATOM 0 HG23 THR A 343 -16.277 1.790 0.754 1.00 0.20 H new ATOM 86 N TYR A 344 -13.155 0.770 2.871 1.00 0.10 N ATOM 87 CA TYR A 344 -11.751 0.918 3.160 1.00 0.07 C ATOM 88 C TYR A 344 -10.917 0.578 1.959 1.00 0.06 C ATOM 89 O TYR A 344 -11.421 0.387 0.861 1.00 0.08 O ATOM 90 CB TYR A 344 -11.331 -0.020 4.283 1.00 0.08 C ATOM 91 CG TYR A 344 -11.862 -1.427 4.154 1.00 0.12 C ATOM 92 CD1 TYR A 344 -11.178 -2.391 3.435 1.00 0.14 C ATOM 93 CD2 TYR A 344 -13.057 -1.779 4.743 1.00 0.19 C ATOM 94 CE1 TYR A 344 -11.673 -3.668 3.306 1.00 0.20 C ATOM 95 CE2 TYR A 344 -13.568 -3.053 4.619 1.00 0.25 C ATOM 96 CZ TYR A 344 -12.870 -3.997 3.896 1.00 0.25 C ATOM 97 OH TYR A 344 -13.370 -5.269 3.742 1.00 0.32 O ATOM 0 H TYR A 344 -13.354 0.186 2.059 1.00 0.10 H new ATOM 0 HA TYR A 344 -11.594 1.957 3.449 1.00 0.07 H new ATOM 0 HB2 TYR A 344 -10.242 -0.058 4.320 1.00 0.08 H new ATOM 0 HB3 TYR A 344 -11.668 0.396 5.232 1.00 0.08 H new ATOM 0 HD1 TYR A 344 -10.239 -2.136 2.967 1.00 0.14 H new ATOM 0 HD2 TYR A 344 -13.604 -1.042 5.313 1.00 0.19 H new ATOM 0 HE1 TYR A 344 -11.124 -4.409 2.744 1.00 0.20 H new ATOM 0 HE2 TYR A 344 -14.508 -3.310 5.085 1.00 0.25 H new ATOM 0 HH TYR A 344 -13.602 -5.417 2.802 1.00 0.32 H new ATOM 107 N ILE A 345 -9.623 0.528 2.183 1.00 0.05 N ATOM 108 CA ILE A 345 -8.724 -0.054 1.227 1.00 0.05 C ATOM 109 C ILE A 345 -8.305 -1.414 1.746 1.00 0.05 C ATOM 110 O ILE A 345 -8.416 -1.649 2.934 1.00 0.08 O ATOM 111 CB ILE A 345 -7.471 0.798 0.993 1.00 0.06 C ATOM 112 CG1 ILE A 345 -7.819 2.264 0.924 1.00 0.07 C ATOM 113 CG2 ILE A 345 -6.836 0.369 -0.306 1.00 0.06 C ATOM 114 CD1 ILE A 345 -8.820 2.527 -0.140 1.00 0.07 C ATOM 0 H ILE A 345 -9.173 0.887 3.025 1.00 0.05 H new ATOM 0 HA ILE A 345 -9.245 -0.125 0.272 1.00 0.05 H new ATOM 0 HB ILE A 345 -6.781 0.653 1.824 1.00 0.06 H new ATOM 0 HG12 ILE A 345 -8.212 2.593 1.886 1.00 0.07 H new ATOM 0 HG13 ILE A 345 -6.918 2.846 0.731 1.00 0.07 H new ATOM 0 HG21 ILE A 345 -5.942 0.965 -0.488 1.00 0.06 H new ATOM 0 HG22 ILE A 345 -6.563 -0.685 -0.247 1.00 0.06 H new ATOM 0 HG23 ILE A 345 -7.543 0.516 -1.123 1.00 0.06 H new ATOM 0 HD11 ILE A 345 -9.052 3.592 -0.166 1.00 0.07 H new ATOM 0 HD12 ILE A 345 -8.415 2.220 -1.104 1.00 0.07 H new ATOM 0 HD13 ILE A 345 -9.729 1.963 0.068 1.00 0.07 H new ATOM 126 N GLU A 346 -7.831 -2.304 0.893 1.00 0.05 N ATOM 127 CA GLU A 346 -7.434 -3.627 1.363 1.00 0.05 C ATOM 128 C GLU A 346 -6.180 -4.083 0.687 1.00 0.05 C ATOM 129 O GLU A 346 -5.818 -3.603 -0.364 1.00 0.06 O ATOM 130 CB GLU A 346 -8.547 -4.637 1.123 1.00 0.06 C ATOM 131 CG GLU A 346 -8.766 -5.521 2.300 1.00 0.07 C ATOM 132 CD GLU A 346 -9.750 -6.658 2.060 1.00 0.09 C ATOM 133 OE1 GLU A 346 -9.461 -7.541 1.222 1.00 0.12 O ATOM 134 OE2 GLU A 346 -10.816 -6.681 2.718 1.00 0.17 O1- ATOM 0 H GLU A 346 -7.712 -2.145 -0.107 1.00 0.05 H new ATOM 0 HA GLU A 346 -7.244 -3.556 2.434 1.00 0.05 H new ATOM 0 HB2 GLU A 346 -9.471 -4.108 0.891 1.00 0.06 H new ATOM 0 HB3 GLU A 346 -8.301 -5.247 0.253 1.00 0.06 H new ATOM 0 HG2 GLU A 346 -7.809 -5.944 2.604 1.00 0.07 H new ATOM 0 HG3 GLU A 346 -9.126 -4.915 3.132 1.00 0.07 H new ATOM 141 N VAL A 347 -5.488 -4.958 1.366 1.00 0.05 N ATOM 142 CA VAL A 347 -4.237 -5.502 0.916 1.00 0.05 C ATOM 143 C VAL A 347 -4.066 -6.885 1.468 1.00 0.07 C ATOM 144 O VAL A 347 -4.322 -7.140 2.642 1.00 0.08 O ATOM 145 CB VAL A 347 -3.060 -4.670 1.429 1.00 0.06 C ATOM 146 CG1 VAL A 347 -1.753 -5.370 1.126 1.00 0.06 C ATOM 147 CG2 VAL A 347 -3.061 -3.286 0.841 1.00 0.06 C ATOM 0 H VAL A 347 -5.787 -5.321 2.271 1.00 0.05 H new ATOM 0 HA VAL A 347 -4.250 -5.502 -0.174 1.00 0.05 H new ATOM 0 HB VAL A 347 -3.169 -4.570 2.509 1.00 0.06 H new ATOM 0 HG11 VAL A 347 -0.923 -4.768 1.496 1.00 0.06 H new ATOM 0 HG12 VAL A 347 -1.740 -6.344 1.614 1.00 0.06 H new ATOM 0 HG13 VAL A 347 -1.653 -5.503 0.049 1.00 0.06 H new ATOM 0 HG21 VAL A 347 -2.211 -2.725 1.229 1.00 0.06 H new ATOM 0 HG22 VAL A 347 -2.988 -3.352 -0.245 1.00 0.06 H new ATOM 0 HG23 VAL A 347 -3.986 -2.776 1.112 1.00 0.06 H new ATOM 157 N ASP A 348 -3.607 -7.753 0.623 1.00 0.08 N ATOM 158 CA ASP A 348 -3.265 -9.083 1.029 1.00 0.11 C ATOM 159 C ASP A 348 -1.793 -9.287 0.782 1.00 0.15 C ATOM 160 O ASP A 348 -1.338 -9.184 -0.353 1.00 0.24 O ATOM 161 CB ASP A 348 -4.123 -10.084 0.273 1.00 0.14 C ATOM 162 CG ASP A 348 -3.949 -11.525 0.716 1.00 0.18 C ATOM 163 OD1 ASP A 348 -2.803 -11.920 1.018 1.00 0.33 O ATOM 164 OD2 ASP A 348 -4.937 -12.269 0.767 1.00 0.37 O1- ATOM 0 H ASP A 348 -3.458 -7.562 -0.368 1.00 0.08 H new ATOM 0 HA ASP A 348 -3.460 -9.234 2.091 1.00 0.11 H new ATOM 0 HB2 ASP A 348 -5.171 -9.806 0.389 1.00 0.14 H new ATOM 0 HB3 ASP A 348 -3.890 -10.013 -0.789 1.00 0.14 H new ATOM 169 N LEU A 349 -1.047 -9.501 1.832 1.00 0.13 N ATOM 170 CA LEU A 349 0.384 -9.674 1.714 1.00 0.14 C ATOM 171 C LEU A 349 0.676 -11.013 1.089 1.00 0.20 C ATOM 172 O LEU A 349 1.484 -11.143 0.170 1.00 0.32 O ATOM 173 CB LEU A 349 1.027 -9.594 3.098 1.00 0.16 C ATOM 174 CG LEU A 349 0.852 -8.282 3.846 1.00 0.14 C ATOM 175 CD1 LEU A 349 0.968 -7.112 2.921 1.00 0.14 C ATOM 176 CD2 LEU A 349 -0.469 -8.233 4.544 1.00 0.12 C ATOM 0 H LEU A 349 -1.404 -9.561 2.785 1.00 0.13 H new ATOM 0 HA LEU A 349 0.796 -8.885 1.085 1.00 0.14 H new ATOM 0 HB2 LEU A 349 0.618 -10.396 3.713 1.00 0.16 H new ATOM 0 HB3 LEU A 349 2.094 -9.788 2.991 1.00 0.16 H new ATOM 0 HG LEU A 349 1.649 -8.227 4.588 1.00 0.14 H new ATOM 0 HD11 LEU A 349 0.838 -6.188 3.485 1.00 0.14 H new ATOM 0 HD12 LEU A 349 1.952 -7.116 2.451 1.00 0.14 H new ATOM 0 HD13 LEU A 349 0.199 -7.179 2.152 1.00 0.14 H new ATOM 0 HD21 LEU A 349 -0.567 -7.284 5.071 1.00 0.12 H new ATOM 0 HD22 LEU A 349 -1.271 -8.326 3.812 1.00 0.12 H new ATOM 0 HD23 LEU A 349 -0.533 -9.053 5.259 1.00 0.12 H new ATOM 188 N GLU A 350 -0.051 -11.978 1.591 1.00 0.20 N ATOM 189 CA GLU A 350 0.072 -13.367 1.211 1.00 0.24 C ATOM 190 C GLU A 350 -0.130 -13.582 -0.275 1.00 0.22 C ATOM 191 O GLU A 350 0.620 -14.306 -0.929 1.00 0.31 O ATOM 192 CB GLU A 350 -0.982 -14.132 1.939 1.00 0.31 C ATOM 193 CG GLU A 350 -0.708 -14.274 3.411 1.00 0.41 C ATOM 194 CD GLU A 350 0.271 -15.374 3.742 1.00 0.84 C ATOM 195 OE1 GLU A 350 1.493 -15.141 3.643 1.00 0.96 O1- ATOM 196 OE2 GLU A 350 -0.175 -16.487 4.082 1.00 1.51 O ATOM 0 H GLU A 350 -0.768 -11.816 2.298 1.00 0.20 H new ATOM 0 HA GLU A 350 1.079 -13.701 1.461 1.00 0.24 H new ATOM 0 HB2 GLU A 350 -1.942 -13.634 1.802 1.00 0.31 H new ATOM 0 HB3 GLU A 350 -1.072 -15.124 1.496 1.00 0.31 H new ATOM 0 HG2 GLU A 350 -0.322 -13.329 3.793 1.00 0.41 H new ATOM 0 HG3 GLU A 350 -1.647 -14.467 3.930 1.00 0.41 H new ATOM 203 N ASN A 351 -1.215 -13.009 -0.766 1.00 0.18 N ATOM 204 CA ASN A 351 -1.647 -13.186 -2.138 1.00 0.19 C ATOM 205 C ASN A 351 -1.368 -11.928 -2.913 1.00 0.21 C ATOM 206 O ASN A 351 -1.877 -11.748 -4.019 1.00 0.35 O ATOM 207 CB ASN A 351 -3.143 -13.518 -2.192 1.00 0.27 C ATOM 208 CG ASN A 351 -3.480 -14.815 -1.492 1.00 0.48 C ATOM 209 OD1 ASN A 351 -3.414 -15.892 -2.085 1.00 0.91 O ATOM 210 ND2 ASN A 351 -3.865 -14.721 -0.230 1.00 0.39 N ATOM 0 H ASN A 351 -1.825 -12.403 -0.217 1.00 0.18 H new ATOM 0 HA ASN A 351 -1.097 -14.016 -2.581 1.00 0.19 H new ATOM 0 HB2 ASN A 351 -3.708 -12.706 -1.734 1.00 0.27 H new ATOM 0 HB3 ASN A 351 -3.460 -13.579 -3.233 1.00 0.27 H new ATOM 0 HD21 ASN A 351 -4.121 -15.561 0.289 1.00 0.39 H new ATOM 0 HD22 ASN A 351 -3.906 -13.809 0.224 1.00 0.39 H new ATOM 217 N GLN A 352 -0.549 -11.074 -2.296 1.00 0.12 N ATOM 218 CA GLN A 352 -0.057 -9.837 -2.914 1.00 0.11 C ATOM 219 C GLN A 352 -1.131 -9.146 -3.749 1.00 0.11 C ATOM 220 O GLN A 352 -1.063 -9.127 -4.980 1.00 0.18 O ATOM 221 CB GLN A 352 1.145 -10.109 -3.811 1.00 0.18 C ATOM 222 CG GLN A 352 2.334 -10.816 -3.149 1.00 0.30 C ATOM 223 CD GLN A 352 2.076 -12.272 -2.844 1.00 1.41 C ATOM 224 OE1 GLN A 352 1.363 -12.966 -3.566 1.00 2.22 O ATOM 225 NE2 GLN A 352 2.636 -12.735 -1.750 1.00 1.92 N ATOM 0 H GLN A 352 -0.205 -11.221 -1.347 1.00 0.12 H new ATOM 0 HA GLN A 352 0.231 -9.183 -2.091 1.00 0.11 H new ATOM 0 HB2 GLN A 352 0.813 -10.713 -4.655 1.00 0.18 H new ATOM 0 HB3 GLN A 352 1.493 -9.159 -4.216 1.00 0.18 H new ATOM 0 HG2 GLN A 352 3.203 -10.738 -3.803 1.00 0.30 H new ATOM 0 HG3 GLN A 352 2.585 -10.298 -2.223 1.00 0.30 H new ATOM 0 HE21 GLN A 352 3.221 -12.125 -1.179 1.00 1.92 H new ATOM 0 HE22 GLN A 352 2.486 -13.705 -1.471 1.00 1.92 H new ATOM 234 N HIS A 353 -2.092 -8.546 -3.087 1.00 0.07 N ATOM 235 CA HIS A 353 -3.200 -7.911 -3.792 1.00 0.07 C ATOM 236 C HIS A 353 -3.822 -6.825 -2.923 1.00 0.06 C ATOM 237 O HIS A 353 -4.197 -7.061 -1.791 1.00 0.07 O ATOM 238 CB HIS A 353 -4.257 -8.955 -4.132 1.00 0.08 C ATOM 239 CG HIS A 353 -5.118 -8.576 -5.299 1.00 0.09 C ATOM 240 ND1 HIS A 353 -4.866 -8.963 -6.597 1.00 0.11 N ATOM 241 CD2 HIS A 353 -6.239 -7.833 -5.351 1.00 0.12 C ATOM 242 CE1 HIS A 353 -5.799 -8.464 -7.389 1.00 0.13 C ATOM 243 NE2 HIS A 353 -6.647 -7.778 -6.657 1.00 0.13 N ATOM 0 H HIS A 353 -2.137 -8.480 -2.070 1.00 0.07 H new ATOM 0 HA HIS A 353 -2.822 -7.461 -4.710 1.00 0.07 H new ATOM 0 HB2 HIS A 353 -3.764 -9.903 -4.347 1.00 0.08 H new ATOM 0 HB3 HIS A 353 -4.891 -9.116 -3.260 1.00 0.08 H new ATOM 0 HD1 HIS A 353 -4.083 -9.543 -6.899 1.00 0.11 H new ATOM 0 HD2 HIS A 353 -6.730 -7.363 -4.511 1.00 0.12 H new ATOM 0 HE1 HIS A 353 -5.855 -8.598 -8.459 1.00 0.13 H new ATOM 252 N MET A 354 -3.895 -5.636 -3.464 1.00 0.05 N ATOM 253 CA MET A 354 -4.469 -4.499 -2.791 1.00 0.05 C ATOM 254 C MET A 354 -5.777 -4.092 -3.451 1.00 0.04 C ATOM 255 O MET A 354 -5.855 -3.917 -4.663 1.00 0.05 O ATOM 256 CB MET A 354 -3.464 -3.367 -2.837 1.00 0.05 C ATOM 257 CG MET A 354 -3.949 -2.141 -2.120 1.00 0.06 C ATOM 258 SD MET A 354 -3.676 -0.635 -3.032 1.00 0.06 S ATOM 259 CE MET A 354 -4.722 -1.024 -4.397 1.00 0.06 C ATOM 0 H MET A 354 -3.551 -5.427 -4.401 1.00 0.05 H new ATOM 0 HA MET A 354 -4.694 -4.750 -1.754 1.00 0.05 H new ATOM 0 HB2 MET A 354 -2.527 -3.699 -2.390 1.00 0.05 H new ATOM 0 HB3 MET A 354 -3.251 -3.116 -3.876 1.00 0.05 H new ATOM 0 HG2 MET A 354 -5.015 -2.246 -1.916 1.00 0.06 H new ATOM 0 HG3 MET A 354 -3.446 -2.070 -1.156 1.00 0.06 H new ATOM 0 HE1 MET A 354 -4.665 -0.227 -5.138 1.00 0.06 H new ATOM 0 HE2 MET A 354 -4.398 -1.962 -4.848 1.00 0.06 H new ATOM 0 HE3 MET A 354 -5.751 -1.124 -4.050 1.00 0.06 H new ATOM 269 N TRP A 355 -6.797 -3.970 -2.622 1.00 0.05 N ATOM 270 CA TRP A 355 -8.148 -3.662 -3.055 1.00 0.05 C ATOM 271 C TRP A 355 -8.606 -2.320 -2.560 1.00 0.05 C ATOM 272 O TRP A 355 -7.951 -1.700 -1.752 1.00 0.05 O ATOM 273 CB TRP A 355 -9.147 -4.662 -2.518 1.00 0.06 C ATOM 274 CG TRP A 355 -9.033 -6.029 -3.063 1.00 0.07 C ATOM 275 CD1 TRP A 355 -9.635 -6.500 -4.172 1.00 0.08 C ATOM 276 CD2 TRP A 355 -8.305 -7.108 -2.495 1.00 0.08 C ATOM 277 NE1 TRP A 355 -9.311 -7.811 -4.364 1.00 0.09 N ATOM 278 CE2 TRP A 355 -8.495 -8.219 -3.329 1.00 0.08 C ATOM 279 CE3 TRP A 355 -7.505 -7.238 -1.363 1.00 0.08 C ATOM 280 CZ2 TRP A 355 -7.903 -9.453 -3.055 1.00 0.10 C ATOM 281 CZ3 TRP A 355 -6.925 -8.449 -1.095 1.00 0.09 C ATOM 282 CH2 TRP A 355 -7.125 -9.547 -1.937 1.00 0.10 C ATOM 0 H TRP A 355 -6.709 -4.084 -1.612 1.00 0.05 H new ATOM 0 HA TRP A 355 -8.109 -3.684 -4.144 1.00 0.05 H new ATOM 0 HB2 TRP A 355 -9.039 -4.711 -1.435 1.00 0.06 H new ATOM 0 HB3 TRP A 355 -10.152 -4.291 -2.722 1.00 0.06 H new ATOM 0 HD1 TRP A 355 -10.281 -5.923 -4.817 1.00 0.08 H new ATOM 0 HE1 TRP A 355 -9.620 -8.393 -5.143 1.00 0.09 H new ATOM 0 HE3 TRP A 355 -7.344 -6.396 -0.706 1.00 0.08 H new ATOM 0 HZ2 TRP A 355 -8.055 -10.303 -3.704 1.00 0.10 H new ATOM 0 HZ3 TRP A 355 -6.303 -8.558 -0.219 1.00 0.09 H new ATOM 0 HH2 TRP A 355 -6.654 -10.489 -1.698 1.00 0.10 H new ATOM 293 N TYR A 356 -9.773 -1.920 -3.016 1.00 0.06 N ATOM 294 CA TYR A 356 -10.505 -0.838 -2.401 1.00 0.06 C ATOM 295 C TYR A 356 -11.859 -1.377 -2.104 1.00 0.06 C ATOM 296 O TYR A 356 -12.538 -1.850 -2.984 1.00 0.07 O ATOM 297 CB TYR A 356 -10.597 0.373 -3.305 1.00 0.06 C ATOM 298 CG TYR A 356 -11.444 1.512 -2.709 1.00 0.08 C ATOM 299 CD1 TYR A 356 -12.788 1.343 -2.454 1.00 0.18 C ATOM 300 CD2 TYR A 356 -10.887 2.741 -2.371 1.00 0.07 C ATOM 301 CE1 TYR A 356 -13.544 2.347 -1.888 1.00 0.22 C ATOM 302 CE2 TYR A 356 -11.639 3.749 -1.797 1.00 0.09 C ATOM 303 CZ TYR A 356 -12.989 3.605 -1.704 1.00 0.13 C ATOM 304 OH TYR A 356 -13.722 4.539 -0.978 1.00 0.20 O ATOM 0 H TYR A 356 -10.239 -2.336 -3.822 1.00 0.06 H new ATOM 0 HA TYR A 356 -9.997 -0.496 -1.499 1.00 0.06 H new ATOM 0 HB2 TYR A 356 -9.592 0.744 -3.508 1.00 0.06 H new ATOM 0 HB3 TYR A 356 -11.025 0.073 -4.261 1.00 0.06 H new ATOM 0 HD1 TYR A 356 -13.259 0.404 -2.703 1.00 0.18 H new ATOM 0 HD2 TYR A 356 -9.838 2.912 -2.562 1.00 0.07 H new ATOM 0 HE1 TYR A 356 -14.564 2.155 -1.589 1.00 0.22 H new ATOM 0 HE2 TYR A 356 -11.159 4.643 -1.426 1.00 0.09 H new ATOM 0 HH TYR A 356 -13.219 5.378 -0.922 1.00 0.20 H new ATOM 314 N TYR A 357 -12.226 -1.380 -0.861 1.00 0.09 N ATOM 315 CA TYR A 357 -13.511 -1.895 -0.501 1.00 0.11 C ATOM 316 C TYR A 357 -14.482 -0.801 -0.196 1.00 0.12 C ATOM 317 O TYR A 357 -14.216 0.108 0.575 1.00 0.14 O ATOM 318 CB TYR A 357 -13.455 -2.841 0.682 1.00 0.12 C ATOM 319 CG TYR A 357 -13.007 -4.227 0.333 1.00 0.12 C ATOM 320 CD1 TYR A 357 -11.705 -4.462 -0.040 1.00 0.12 C ATOM 321 CD2 TYR A 357 -13.887 -5.298 0.377 1.00 0.14 C ATOM 322 CE1 TYR A 357 -11.279 -5.720 -0.363 1.00 0.14 C ATOM 323 CE2 TYR A 357 -13.466 -6.573 0.058 1.00 0.16 C ATOM 324 CZ TYR A 357 -12.157 -6.777 -0.315 1.00 0.14 C ATOM 325 OH TYR A 357 -11.714 -8.040 -0.627 1.00 0.18 O ATOM 0 H TYR A 357 -11.661 -1.036 -0.085 1.00 0.09 H new ATOM 0 HA TYR A 357 -13.851 -2.452 -1.374 1.00 0.11 H new ATOM 0 HB2 TYR A 357 -12.779 -2.430 1.431 1.00 0.12 H new ATOM 0 HB3 TYR A 357 -14.443 -2.894 1.139 1.00 0.12 H new ATOM 0 HD1 TYR A 357 -11.007 -3.639 -0.078 1.00 0.12 H new ATOM 0 HD2 TYR A 357 -14.915 -5.132 0.665 1.00 0.14 H new ATOM 0 HE1 TYR A 357 -10.252 -5.884 -0.656 1.00 0.14 H new ATOM 0 HE2 TYR A 357 -14.157 -7.402 0.101 1.00 0.16 H new ATOM 0 HH TYR A 357 -10.897 -8.234 -0.122 1.00 0.18 H new ATOM 335 N LYS A 358 -15.610 -0.937 -0.808 1.00 0.12 N ATOM 336 CA LYS A 358 -16.729 -0.129 -0.583 1.00 0.14 C ATOM 337 C LYS A 358 -17.952 -0.955 -0.786 1.00 0.17 C ATOM 338 O LYS A 358 -18.033 -1.766 -1.707 1.00 0.19 O ATOM 339 CB LYS A 358 -16.709 1.052 -1.473 1.00 0.18 C ATOM 340 CG LYS A 358 -18.014 1.652 -1.589 1.00 0.24 C ATOM 341 CD LYS A 358 -17.844 3.104 -1.526 1.00 0.28 C ATOM 342 CE LYS A 358 -17.484 3.618 -2.874 1.00 0.42 C ATOM 343 NZ LYS A 358 -17.882 5.034 -3.086 1.00 0.47 N1+ ATOM 0 H LYS A 358 -15.770 -1.657 -1.513 1.00 0.12 H new ATOM 0 HA LYS A 358 -16.721 0.250 0.439 1.00 0.14 H new ATOM 0 HB2 LYS A 358 -16.003 1.787 -1.087 1.00 0.18 H new ATOM 0 HB3 LYS A 358 -16.354 0.758 -2.461 1.00 0.18 H new ATOM 0 HG2 LYS A 358 -18.486 1.363 -2.528 1.00 0.24 H new ATOM 0 HG3 LYS A 358 -18.666 1.308 -0.786 1.00 0.24 H new ATOM 0 HD2 LYS A 358 -18.764 3.574 -1.179 1.00 0.28 H new ATOM 0 HD3 LYS A 358 -17.065 3.359 -0.807 1.00 0.28 H new ATOM 0 HE2 LYS A 358 -16.407 3.525 -3.016 1.00 0.42 H new ATOM 0 HE3 LYS A 358 -17.960 2.996 -3.632 1.00 0.42 H new ATOM 0 HZ1 LYS A 358 -17.604 5.333 -4.043 1.00 0.47 H new ATOM 0 HZ2 LYS A 358 -18.913 5.124 -2.981 1.00 0.47 H new ATOM 0 HZ3 LYS A 358 -17.408 5.637 -2.383 1.00 0.47 H new ATOM 357 N ASP A 359 -18.869 -0.767 0.140 1.00 0.23 N ATOM 358 CA ASP A 359 -20.137 -1.456 0.142 1.00 0.30 C ATOM 359 C ASP A 359 -19.900 -2.891 0.504 1.00 0.27 C ATOM 360 O ASP A 359 -20.771 -3.754 0.382 1.00 0.33 O ATOM 361 CB ASP A 359 -20.800 -1.319 -1.214 1.00 0.34 C ATOM 362 CG ASP A 359 -22.311 -1.298 -1.128 1.00 0.44 C ATOM 363 OD1 ASP A 359 -22.874 -0.271 -0.692 1.00 0.49 O1- ATOM 364 OD2 ASP A 359 -22.948 -2.312 -1.490 1.00 0.60 O ATOM 0 H ASP A 359 -18.750 -0.122 0.922 1.00 0.23 H new ATOM 0 HA ASP A 359 -20.811 -1.018 0.878 1.00 0.30 H new ATOM 0 HB2 ASP A 359 -20.455 -0.402 -1.691 1.00 0.34 H new ATOM 0 HB3 ASP A 359 -20.488 -2.147 -1.851 1.00 0.34 H new ATOM 369 N GLY A 360 -18.690 -3.103 0.990 1.00 0.22 N ATOM 370 CA GLY A 360 -18.262 -4.398 1.400 1.00 0.21 C ATOM 371 C GLY A 360 -17.737 -5.210 0.247 1.00 0.19 C ATOM 372 O GLY A 360 -17.405 -6.390 0.372 1.00 0.23 O ATOM 0 H GLY A 360 -17.988 -2.372 1.105 1.00 0.22 H new ATOM 0 HA2 GLY A 360 -17.485 -4.300 2.158 1.00 0.21 H new ATOM 0 HA3 GLY A 360 -19.095 -4.925 1.865 1.00 0.21 H new ATOM 376 N LYS A 361 -17.624 -4.519 -0.849 1.00 0.16 N ATOM 377 CA LYS A 361 -17.301 -5.050 -2.133 1.00 0.17 C ATOM 378 C LYS A 361 -16.094 -4.273 -2.604 1.00 0.13 C ATOM 379 O LYS A 361 -15.740 -3.293 -1.965 1.00 0.15 O ATOM 380 CB LYS A 361 -18.544 -4.820 -2.993 1.00 0.22 C ATOM 381 CG LYS A 361 -18.307 -4.245 -4.357 1.00 0.32 C ATOM 382 CD LYS A 361 -18.494 -5.246 -5.464 1.00 0.55 C ATOM 383 CE LYS A 361 -17.801 -6.526 -5.137 1.00 0.52 C ATOM 384 NZ LYS A 361 -17.604 -7.398 -6.325 1.00 0.68 N1+ ATOM 0 H LYS A 361 -17.764 -3.509 -0.867 1.00 0.16 H new ATOM 0 HA LYS A 361 -17.055 -6.112 -2.159 1.00 0.17 H new ATOM 0 HB2 LYS A 361 -19.062 -5.772 -3.108 1.00 0.22 H new ATOM 0 HB3 LYS A 361 -19.216 -4.154 -2.452 1.00 0.22 H new ATOM 0 HG2 LYS A 361 -18.987 -3.408 -4.514 1.00 0.32 H new ATOM 0 HG3 LYS A 361 -17.294 -3.846 -4.405 1.00 0.32 H new ATOM 0 HD2 LYS A 361 -19.557 -5.431 -5.619 1.00 0.55 H new ATOM 0 HD3 LYS A 361 -18.102 -4.842 -6.397 1.00 0.55 H new ATOM 0 HE2 LYS A 361 -16.832 -6.305 -4.691 1.00 0.52 H new ATOM 0 HE3 LYS A 361 -18.381 -7.066 -4.388 1.00 0.52 H new ATOM 0 HZ1 LYS A 361 -17.118 -8.272 -6.038 1.00 0.68 H new ATOM 0 HZ2 LYS A 361 -18.528 -7.635 -6.738 1.00 0.68 H new ATOM 0 HZ3 LYS A 361 -17.027 -6.898 -7.031 1.00 0.68 H new ATOM 398 N VAL A 362 -15.429 -4.658 -3.663 1.00 0.10 N ATOM 399 CA VAL A 362 -14.293 -3.876 -4.037 1.00 0.09 C ATOM 400 C VAL A 362 -14.585 -2.981 -5.176 1.00 0.09 C ATOM 401 O VAL A 362 -15.282 -3.295 -6.146 1.00 0.11 O ATOM 402 CB VAL A 362 -12.992 -4.631 -4.309 1.00 0.18 C ATOM 403 CG1 VAL A 362 -12.719 -5.660 -3.255 1.00 0.53 C ATOM 404 CG2 VAL A 362 -12.958 -5.225 -5.681 1.00 0.52 C ATOM 0 H VAL A 362 -15.642 -5.464 -4.250 1.00 0.10 H new ATOM 0 HA VAL A 362 -14.106 -3.301 -3.130 1.00 0.09 H new ATOM 0 HB VAL A 362 -12.188 -3.897 -4.264 1.00 0.18 H new ATOM 0 HG11 VAL A 362 -11.786 -6.176 -3.483 1.00 0.53 H new ATOM 0 HG12 VAL A 362 -12.636 -5.173 -2.284 1.00 0.53 H new ATOM 0 HG13 VAL A 362 -13.536 -6.381 -3.231 1.00 0.53 H new ATOM 0 HG21 VAL A 362 -12.014 -5.751 -5.827 1.00 0.52 H new ATOM 0 HG22 VAL A 362 -13.785 -5.926 -5.795 1.00 0.52 H new ATOM 0 HG23 VAL A 362 -13.050 -4.432 -6.423 1.00 0.52 H new ATOM 414 N ALA A 363 -14.045 -1.845 -4.969 1.00 0.09 N ATOM 415 CA ALA A 363 -14.060 -0.774 -5.871 1.00 0.10 C ATOM 416 C ALA A 363 -12.831 -0.841 -6.711 1.00 0.10 C ATOM 417 O ALA A 363 -12.783 -0.344 -7.836 1.00 0.12 O ATOM 418 CB ALA A 363 -14.029 0.464 -5.049 1.00 0.11 C ATOM 0 H ALA A 363 -13.548 -1.628 -4.105 1.00 0.09 H new ATOM 0 HA ALA A 363 -14.936 -0.798 -6.519 1.00 0.10 H new ATOM 0 HB1 ALA A 363 -14.039 1.336 -5.703 1.00 0.11 H new ATOM 0 HB2 ALA A 363 -14.902 0.490 -4.397 1.00 0.11 H new ATOM 0 HB3 ALA A 363 -13.123 0.476 -4.443 1.00 0.11 H new ATOM 424 N LEU A 364 -11.829 -1.480 -6.142 1.00 0.08 N ATOM 425 CA LEU A 364 -10.542 -1.499 -6.740 1.00 0.07 C ATOM 426 C LEU A 364 -9.816 -2.752 -6.314 1.00 0.06 C ATOM 427 O LEU A 364 -10.124 -3.326 -5.271 1.00 0.08 O ATOM 428 CB LEU A 364 -9.759 -0.251 -6.372 1.00 0.06 C ATOM 429 CG LEU A 364 -8.800 0.160 -7.459 1.00 0.07 C ATOM 430 CD1 LEU A 364 -9.484 0.994 -8.509 1.00 0.07 C ATOM 431 CD2 LEU A 364 -7.611 0.898 -6.938 1.00 0.06 C ATOM 0 H LEU A 364 -11.898 -1.991 -5.262 1.00 0.08 H new ATOM 0 HA LEU A 364 -10.645 -1.505 -7.825 1.00 0.07 H new ATOM 0 HB2 LEU A 364 -10.453 0.566 -6.174 1.00 0.06 H new ATOM 0 HB3 LEU A 364 -9.206 -0.430 -5.450 1.00 0.06 H new ATOM 0 HG LEU A 364 -8.447 -0.769 -7.906 1.00 0.07 H new ATOM 0 HD11 LEU A 364 -8.764 1.273 -9.278 1.00 0.07 H new ATOM 0 HD12 LEU A 364 -10.292 0.419 -8.961 1.00 0.07 H new ATOM 0 HD13 LEU A 364 -9.892 1.894 -8.050 1.00 0.07 H new ATOM 0 HD21 LEU A 364 -6.957 1.167 -7.768 1.00 0.06 H new ATOM 0 HD22 LEU A 364 -7.940 1.803 -6.427 1.00 0.06 H new ATOM 0 HD23 LEU A 364 -7.067 0.263 -6.239 1.00 0.06 H new ATOM 443 N GLU A 365 -8.881 -3.182 -7.131 1.00 0.07 N ATOM 444 CA GLU A 365 -8.168 -4.441 -6.918 1.00 0.07 C ATOM 445 C GLU A 365 -6.958 -4.506 -7.800 1.00 0.07 C ATOM 446 O GLU A 365 -7.066 -4.426 -9.022 1.00 0.09 O ATOM 447 CB GLU A 365 -9.013 -5.671 -7.237 1.00 0.09 C ATOM 448 CG GLU A 365 -10.390 -5.354 -7.788 1.00 0.22 C ATOM 449 CD GLU A 365 -10.913 -6.430 -8.708 1.00 0.26 C ATOM 450 OE1 GLU A 365 -11.318 -7.500 -8.209 1.00 0.61 O ATOM 451 OE2 GLU A 365 -10.916 -6.214 -9.938 1.00 0.60 O1- ATOM 0 H GLU A 365 -8.586 -2.675 -7.966 1.00 0.07 H new ATOM 0 HA GLU A 365 -7.906 -4.454 -5.860 1.00 0.07 H new ATOM 0 HB2 GLU A 365 -8.478 -6.288 -7.959 1.00 0.09 H new ATOM 0 HB3 GLU A 365 -9.125 -6.266 -6.331 1.00 0.09 H new ATOM 0 HG2 GLU A 365 -11.086 -5.220 -6.960 1.00 0.22 H new ATOM 0 HG3 GLU A 365 -10.352 -4.408 -8.328 1.00 0.22 H new ATOM 458 N THR A 366 -5.814 -4.661 -7.199 1.00 0.06 N ATOM 459 CA THR A 366 -4.625 -4.877 -7.955 1.00 0.06 C ATOM 460 C THR A 366 -3.660 -5.768 -7.217 1.00 0.06 C ATOM 461 O THR A 366 -3.804 -6.021 -6.033 1.00 0.07 O ATOM 462 CB THR A 366 -3.978 -3.547 -8.296 1.00 0.07 C ATOM 463 OG1 THR A 366 -2.730 -3.751 -8.947 1.00 0.09 O ATOM 464 CG2 THR A 366 -3.791 -2.739 -7.041 1.00 0.07 C ATOM 0 H THR A 366 -5.684 -4.641 -6.188 1.00 0.06 H new ATOM 0 HA THR A 366 -4.896 -5.385 -8.881 1.00 0.06 H new ATOM 0 HB THR A 366 -4.630 -3.000 -8.977 1.00 0.07 H new ATOM 0 HG1 THR A 366 -2.884 -4.114 -9.844 1.00 0.09 H new ATOM 0 HG21 THR A 366 -3.326 -1.785 -7.289 1.00 0.07 H new ATOM 0 HG22 THR A 366 -4.760 -2.561 -6.575 1.00 0.07 H new ATOM 0 HG23 THR A 366 -3.151 -3.285 -6.348 1.00 0.07 H new ATOM 472 N ASP A 367 -2.685 -6.224 -7.943 1.00 0.07 N ATOM 473 CA ASP A 367 -1.612 -7.001 -7.409 1.00 0.10 C ATOM 474 C ASP A 367 -0.591 -6.032 -6.905 1.00 0.10 C ATOM 475 O ASP A 367 -0.494 -4.911 -7.406 1.00 0.11 O ATOM 476 CB ASP A 367 -1.021 -7.866 -8.504 1.00 0.15 C ATOM 477 CG ASP A 367 -1.779 -9.167 -8.699 1.00 1.14 C ATOM 478 OD1 ASP A 367 -2.824 -9.162 -9.382 1.00 1.54 O1- ATOM 479 OD2 ASP A 367 -1.331 -10.205 -8.171 1.00 1.88 O ATOM 0 H ASP A 367 -2.613 -6.061 -8.947 1.00 0.07 H new ATOM 0 HA ASP A 367 -1.952 -7.657 -6.607 1.00 0.10 H new ATOM 0 HB2 ASP A 367 -1.019 -7.308 -9.440 1.00 0.15 H new ATOM 0 HB3 ASP A 367 0.019 -8.089 -8.264 1.00 0.15 H new ATOM 484 N ILE A 368 0.112 -6.439 -5.891 1.00 0.09 N ATOM 485 CA ILE A 368 1.091 -5.591 -5.247 1.00 0.09 C ATOM 486 C ILE A 368 2.263 -6.395 -4.738 1.00 0.09 C ATOM 487 O ILE A 368 2.386 -7.586 -5.003 1.00 0.11 O ATOM 488 CB ILE A 368 0.477 -4.839 -4.073 1.00 0.08 C ATOM 489 CG1 ILE A 368 -0.222 -5.842 -3.170 1.00 0.08 C ATOM 490 CG2 ILE A 368 -0.462 -3.748 -4.562 1.00 0.08 C ATOM 491 CD1 ILE A 368 0.543 -6.145 -1.909 1.00 0.11 C ATOM 0 H ILE A 368 0.029 -7.369 -5.480 1.00 0.09 H new ATOM 0 HA ILE A 368 1.436 -4.881 -5.999 1.00 0.09 H new ATOM 0 HB ILE A 368 1.255 -4.336 -3.498 1.00 0.08 H new ATOM 0 HG12 ILE A 368 -1.207 -5.457 -2.905 1.00 0.08 H new ATOM 0 HG13 ILE A 368 -0.380 -6.769 -3.722 1.00 0.08 H new ATOM 0 HG21 ILE A 368 -0.889 -3.225 -3.706 1.00 0.08 H new ATOM 0 HG22 ILE A 368 0.092 -3.042 -5.180 1.00 0.08 H new ATOM 0 HG23 ILE A 368 -1.263 -4.195 -5.150 1.00 0.08 H new ATOM 0 HD11 ILE A 368 -0.013 -6.868 -1.311 1.00 0.11 H new ATOM 0 HD12 ILE A 368 1.518 -6.559 -2.166 1.00 0.11 H new ATOM 0 HD13 ILE A 368 0.678 -5.228 -1.336 1.00 0.11 H new ATOM 503 N VAL A 369 3.108 -5.723 -3.992 1.00 0.09 N ATOM 504 CA VAL A 369 4.251 -6.344 -3.359 1.00 0.09 C ATOM 505 C VAL A 369 4.657 -5.509 -2.154 1.00 0.09 C ATOM 506 O VAL A 369 4.951 -4.320 -2.268 1.00 0.11 O ATOM 507 CB VAL A 369 5.427 -6.562 -4.344 1.00 0.10 C ATOM 508 CG1 VAL A 369 5.360 -5.611 -5.515 1.00 0.10 C ATOM 509 CG2 VAL A 369 6.761 -6.420 -3.649 1.00 0.12 C ATOM 0 H VAL A 369 3.023 -4.724 -3.805 1.00 0.09 H new ATOM 0 HA VAL A 369 3.970 -7.342 -3.024 1.00 0.09 H new ATOM 0 HB VAL A 369 5.333 -7.580 -4.721 1.00 0.10 H new ATOM 0 HG11 VAL A 369 6.202 -5.796 -6.182 1.00 0.10 H new ATOM 0 HG12 VAL A 369 4.427 -5.766 -6.056 1.00 0.10 H new ATOM 0 HG13 VAL A 369 5.403 -4.584 -5.153 1.00 0.10 H new ATOM 0 HG21 VAL A 369 7.565 -6.579 -4.368 1.00 0.12 H new ATOM 0 HG22 VAL A 369 6.846 -5.419 -3.225 1.00 0.12 H new ATOM 0 HG23 VAL A 369 6.836 -7.159 -2.852 1.00 0.12 H new ATOM 519 N SER A 370 4.595 -6.133 -0.996 1.00 0.09 N ATOM 520 CA SER A 370 4.677 -5.426 0.257 1.00 0.10 C ATOM 521 C SER A 370 5.472 -6.188 1.306 1.00 0.10 C ATOM 522 O SER A 370 5.418 -7.410 1.371 1.00 0.10 O ATOM 523 CB SER A 370 3.271 -5.214 0.756 1.00 0.12 C ATOM 524 OG SER A 370 3.269 -4.889 2.119 1.00 0.70 O ATOM 0 H SER A 370 4.487 -7.143 -0.901 1.00 0.09 H new ATOM 0 HA SER A 370 5.195 -4.482 0.089 1.00 0.10 H new ATOM 0 HB2 SER A 370 2.795 -4.416 0.187 1.00 0.12 H new ATOM 0 HB3 SER A 370 2.682 -6.117 0.592 1.00 0.12 H new ATOM 0 HG SER A 370 3.907 -4.164 2.283 1.00 0.70 H new ATOM 530 N GLY A 371 6.173 -5.440 2.142 1.00 0.09 N ATOM 531 CA GLY A 371 6.673 -5.986 3.380 1.00 0.10 C ATOM 532 C GLY A 371 7.834 -6.967 3.272 1.00 0.11 C ATOM 533 O GLY A 371 7.785 -8.006 3.917 1.00 0.13 O ATOM 0 H GLY A 371 6.405 -4.460 1.982 1.00 0.09 H new ATOM 0 HA2 GLY A 371 6.984 -5.158 4.017 1.00 0.10 H new ATOM 0 HA3 GLY A 371 5.850 -6.487 3.889 1.00 0.10 H new ATOM 537 N LYS A 372 8.848 -6.662 2.458 1.00 0.11 N ATOM 538 CA LYS A 372 9.950 -7.568 2.194 1.00 0.14 C ATOM 539 C LYS A 372 10.469 -8.149 3.486 1.00 0.16 C ATOM 540 O LYS A 372 10.478 -7.474 4.504 1.00 0.19 O ATOM 541 CB LYS A 372 11.053 -6.814 1.478 1.00 0.17 C ATOM 542 CG LYS A 372 11.659 -5.690 2.269 1.00 0.22 C ATOM 543 CD LYS A 372 13.069 -6.009 2.574 1.00 0.30 C ATOM 544 CE LYS A 372 14.018 -5.068 1.872 1.00 0.47 C ATOM 545 NZ LYS A 372 15.444 -5.390 2.143 1.00 0.48 N1+ ATOM 0 H LYS A 372 8.920 -5.772 1.965 1.00 0.11 H new ATOM 0 HA LYS A 372 9.603 -8.387 1.565 1.00 0.14 H new ATOM 0 HB2 LYS A 372 11.841 -7.518 1.210 1.00 0.17 H new ATOM 0 HB3 LYS A 372 10.654 -6.412 0.547 1.00 0.17 H new ATOM 0 HG2 LYS A 372 11.599 -4.760 1.704 1.00 0.22 H new ATOM 0 HG3 LYS A 372 11.101 -5.539 3.193 1.00 0.22 H new ATOM 0 HD2 LYS A 372 13.230 -5.953 3.651 1.00 0.30 H new ATOM 0 HD3 LYS A 372 13.284 -7.034 2.273 1.00 0.30 H new ATOM 0 HE2 LYS A 372 13.837 -5.110 0.798 1.00 0.47 H new ATOM 0 HE3 LYS A 372 13.813 -4.046 2.190 1.00 0.47 H new ATOM 0 HZ1 LYS A 372 16.014 -5.176 1.300 1.00 0.48 H new ATOM 0 HZ2 LYS A 372 15.783 -4.819 2.944 1.00 0.48 H new ATOM 0 HZ3 LYS A 372 15.534 -6.400 2.375 1.00 0.48 H new ATOM 559 N PRO A 373 10.878 -9.406 3.430 1.00 0.18 N ATOM 560 CA PRO A 373 11.240 -10.243 4.579 1.00 0.20 C ATOM 561 C PRO A 373 11.896 -9.520 5.769 1.00 0.20 C ATOM 562 O PRO A 373 11.700 -9.908 6.925 1.00 0.22 O ATOM 563 CB PRO A 373 12.191 -11.200 3.908 1.00 0.23 C ATOM 564 CG PRO A 373 11.470 -11.502 2.659 1.00 0.22 C ATOM 565 CD PRO A 373 11.027 -10.157 2.179 1.00 0.19 C ATOM 0 HA PRO A 373 10.369 -10.678 5.069 1.00 0.20 H new ATOM 0 HB2 PRO A 373 13.165 -10.747 3.721 1.00 0.23 H new ATOM 0 HB3 PRO A 373 12.365 -12.093 4.508 1.00 0.23 H new ATOM 0 HG2 PRO A 373 12.115 -11.995 1.932 1.00 0.22 H new ATOM 0 HG3 PRO A 373 10.623 -12.165 2.835 1.00 0.22 H new ATOM 0 HD2 PRO A 373 11.762 -9.700 1.517 1.00 0.19 H new ATOM 0 HD3 PRO A 373 10.090 -10.212 1.625 1.00 0.19 H new ATOM 573 N THR A 374 12.651 -8.464 5.492 1.00 0.20 N ATOM 574 CA THR A 374 13.366 -7.740 6.522 1.00 0.23 C ATOM 575 C THR A 374 12.447 -6.753 7.225 1.00 0.20 C ATOM 576 O THR A 374 12.572 -6.515 8.425 1.00 0.23 O ATOM 577 CB THR A 374 14.552 -6.979 5.910 1.00 0.28 C ATOM 578 OG1 THR A 374 14.144 -5.687 5.426 1.00 0.28 O ATOM 579 CG2 THR A 374 15.114 -7.770 4.753 1.00 0.30 C ATOM 0 H THR A 374 12.781 -8.091 4.551 1.00 0.20 H new ATOM 0 HA THR A 374 13.733 -8.464 7.250 1.00 0.23 H new ATOM 0 HB THR A 374 15.305 -6.845 6.686 1.00 0.28 H new ATOM 0 HG1 THR A 374 14.824 -5.337 4.813 1.00 0.28 H new ATOM 0 HG21 THR A 374 15.956 -7.231 4.318 1.00 0.30 H new ATOM 0 HG22 THR A 374 15.451 -8.744 5.108 1.00 0.30 H new ATOM 0 HG23 THR A 374 14.341 -7.907 3.997 1.00 0.30 H new ATOM 587 N THR A 375 11.524 -6.181 6.466 1.00 0.18 N ATOM 588 CA THR A 375 10.602 -5.200 6.999 1.00 0.18 C ATOM 589 C THR A 375 9.212 -5.404 6.413 1.00 0.14 C ATOM 590 O THR A 375 8.757 -4.669 5.537 1.00 0.13 O ATOM 591 CB THR A 375 11.074 -3.760 6.753 1.00 0.23 C ATOM 592 OG1 THR A 375 12.487 -3.652 6.986 1.00 0.30 O ATOM 593 CG2 THR A 375 10.329 -2.814 7.673 1.00 0.27 C ATOM 0 H THR A 375 11.397 -6.384 5.474 1.00 0.18 H new ATOM 0 HA THR A 375 10.565 -5.349 8.078 1.00 0.18 H new ATOM 0 HB THR A 375 10.868 -3.494 5.716 1.00 0.23 H new ATOM 0 HG1 THR A 375 12.968 -4.217 6.346 1.00 0.30 H new ATOM 0 HG21 THR A 375 10.667 -1.793 7.496 1.00 0.27 H new ATOM 0 HG22 THR A 375 9.259 -2.882 7.476 1.00 0.27 H new ATOM 0 HG23 THR A 375 10.525 -3.086 8.710 1.00 0.27 H new ATOM 601 N PRO A 376 8.565 -6.455 6.886 1.00 0.13 N ATOM 602 CA PRO A 376 7.233 -6.880 6.469 1.00 0.11 C ATOM 603 C PRO A 376 6.121 -5.984 6.965 1.00 0.11 C ATOM 604 O PRO A 376 6.274 -5.210 7.915 1.00 0.15 O ATOM 605 CB PRO A 376 7.093 -8.256 7.102 1.00 0.14 C ATOM 606 CG PRO A 376 8.463 -8.634 7.458 1.00 0.16 C ATOM 607 CD PRO A 376 9.120 -7.369 7.853 1.00 0.15 C ATOM 0 HA PRO A 376 7.143 -6.858 5.383 1.00 0.11 H new ATOM 0 HB2 PRO A 376 6.448 -8.226 7.980 1.00 0.14 H new ATOM 0 HB3 PRO A 376 6.652 -8.970 6.407 1.00 0.14 H new ATOM 0 HG2 PRO A 376 8.473 -9.356 8.275 1.00 0.16 H new ATOM 0 HG3 PRO A 376 8.976 -9.098 6.616 1.00 0.16 H new ATOM 0 HD2 PRO A 376 8.880 -7.082 8.877 1.00 0.15 H new ATOM 0 HD3 PRO A 376 10.206 -7.430 7.786 1.00 0.15 H new ATOM 615 N THR A 377 4.997 -6.118 6.290 1.00 0.08 N ATOM 616 CA THR A 377 3.799 -5.389 6.606 1.00 0.08 C ATOM 617 C THR A 377 3.130 -5.936 7.863 1.00 0.08 C ATOM 618 O THR A 377 3.220 -7.122 8.180 1.00 0.11 O ATOM 619 CB THR A 377 2.822 -5.490 5.433 1.00 0.09 C ATOM 620 OG1 THR A 377 3.430 -6.263 4.393 1.00 0.12 O ATOM 621 CG2 THR A 377 2.439 -4.127 4.899 1.00 0.11 C ATOM 0 H THR A 377 4.895 -6.748 5.495 1.00 0.08 H new ATOM 0 HA THR A 377 4.071 -4.349 6.787 1.00 0.08 H new ATOM 0 HB THR A 377 1.909 -5.971 5.785 1.00 0.09 H new ATOM 0 HG1 THR A 377 3.421 -5.751 3.557 1.00 0.12 H new ATOM 0 HG21 THR A 377 1.744 -4.244 4.067 1.00 0.11 H new ATOM 0 HG22 THR A 377 1.964 -3.547 5.690 1.00 0.11 H new ATOM 0 HG23 THR A 377 3.333 -3.607 4.555 1.00 0.11 H new ATOM 629 N PRO A 378 2.409 -5.047 8.543 1.00 0.07 N ATOM 630 CA PRO A 378 1.824 -5.269 9.863 1.00 0.07 C ATOM 631 C PRO A 378 0.514 -6.045 9.837 1.00 0.07 C ATOM 632 O PRO A 378 0.350 -7.002 10.593 1.00 0.09 O ATOM 633 CB PRO A 378 1.550 -3.855 10.367 1.00 0.08 C ATOM 634 CG PRO A 378 1.874 -2.920 9.254 1.00 0.09 C ATOM 635 CD PRO A 378 2.090 -3.730 8.037 1.00 0.08 C ATOM 0 HA PRO A 378 2.494 -5.866 10.482 1.00 0.07 H new ATOM 0 HB2 PRO A 378 0.508 -3.749 10.667 1.00 0.08 H new ATOM 0 HB3 PRO A 378 2.158 -3.635 11.244 1.00 0.08 H new ATOM 0 HG2 PRO A 378 1.061 -2.210 9.102 1.00 0.09 H new ATOM 0 HG3 PRO A 378 2.765 -2.338 9.490 1.00 0.09 H new ATOM 0 HD2 PRO A 378 1.200 -3.749 7.408 1.00 0.08 H new ATOM 0 HD3 PRO A 378 2.901 -3.329 7.430 1.00 0.08 H new ATOM 643 N ALA A 379 -0.416 -5.610 8.983 1.00 0.06 N ATOM 644 CA ALA A 379 -1.733 -6.220 8.866 1.00 0.07 C ATOM 645 C ALA A 379 -2.623 -5.987 10.079 1.00 0.07 C ATOM 646 O ALA A 379 -2.278 -6.322 11.213 1.00 0.09 O ATOM 647 CB ALA A 379 -1.592 -7.677 8.523 1.00 0.08 C ATOM 0 H ALA A 379 -0.271 -4.821 8.353 1.00 0.06 H new ATOM 0 HA ALA A 379 -2.254 -5.720 8.049 1.00 0.07 H new ATOM 0 HB1 ALA A 379 -2.581 -8.128 8.437 1.00 0.08 H new ATOM 0 HB2 ALA A 379 -1.063 -7.778 7.575 1.00 0.08 H new ATOM 0 HB3 ALA A 379 -1.030 -8.183 9.308 1.00 0.08 H new ATOM 653 N GLY A 380 -3.785 -5.402 9.804 1.00 0.08 N ATOM 654 CA GLY A 380 -4.732 -5.061 10.837 1.00 0.10 C ATOM 655 C GLY A 380 -5.803 -4.140 10.319 1.00 0.10 C ATOM 656 O GLY A 380 -6.435 -4.422 9.305 1.00 0.11 O ATOM 0 H GLY A 380 -4.087 -5.156 8.861 1.00 0.08 H new ATOM 0 HA2 GLY A 380 -5.190 -5.970 11.227 1.00 0.10 H new ATOM 0 HA3 GLY A 380 -4.211 -4.584 11.667 1.00 0.10 H new ATOM 660 N VAL A 381 -5.981 -3.025 11.000 1.00 0.11 N ATOM 661 CA VAL A 381 -6.967 -2.044 10.627 1.00 0.12 C ATOM 662 C VAL A 381 -6.313 -0.671 10.506 1.00 0.12 C ATOM 663 O VAL A 381 -6.058 0.028 11.486 1.00 0.21 O ATOM 664 CB VAL A 381 -8.136 -2.043 11.624 1.00 0.16 C ATOM 665 CG1 VAL A 381 -7.695 -1.697 13.041 1.00 0.89 C ATOM 666 CG2 VAL A 381 -9.261 -1.132 11.150 1.00 0.87 C ATOM 0 H VAL A 381 -5.441 -2.778 11.830 1.00 0.11 H new ATOM 0 HA VAL A 381 -7.382 -2.302 9.652 1.00 0.12 H new ATOM 0 HB VAL A 381 -8.521 -3.062 11.661 1.00 0.16 H new ATOM 0 HG11 VAL A 381 -8.560 -1.710 13.705 1.00 0.89 H new ATOM 0 HG12 VAL A 381 -6.963 -2.429 13.383 1.00 0.89 H new ATOM 0 HG13 VAL A 381 -7.246 -0.704 13.050 1.00 0.89 H new ATOM 0 HG21 VAL A 381 -10.075 -1.151 11.875 1.00 0.87 H new ATOM 0 HG22 VAL A 381 -8.887 -0.113 11.051 1.00 0.87 H new ATOM 0 HG23 VAL A 381 -9.628 -1.479 10.184 1.00 0.87 H new ATOM 676 N PHE A 382 -6.018 -0.313 9.284 1.00 0.10 N ATOM 677 CA PHE A 382 -5.212 0.848 8.988 1.00 0.10 C ATOM 678 C PHE A 382 -6.096 2.003 8.550 1.00 0.09 C ATOM 679 O PHE A 382 -7.242 1.789 8.176 1.00 0.11 O ATOM 680 CB PHE A 382 -4.281 0.462 7.857 1.00 0.16 C ATOM 681 CG PHE A 382 -3.341 -0.641 8.200 1.00 0.11 C ATOM 682 CD1 PHE A 382 -2.165 -0.353 8.864 1.00 0.14 C ATOM 683 CD2 PHE A 382 -3.622 -1.953 7.866 1.00 0.08 C ATOM 684 CE1 PHE A 382 -1.287 -1.346 9.194 1.00 0.15 C ATOM 685 CE2 PHE A 382 -2.742 -2.957 8.195 1.00 0.08 C ATOM 686 CZ PHE A 382 -1.630 -2.716 8.807 1.00 0.10 C ATOM 0 H PHE A 382 -6.332 -0.822 8.457 1.00 0.10 H new ATOM 0 HA PHE A 382 -4.654 1.165 9.869 1.00 0.10 H new ATOM 0 HB2 PHE A 382 -4.877 0.163 6.995 1.00 0.16 H new ATOM 0 HB3 PHE A 382 -3.705 1.338 7.559 1.00 0.16 H new ATOM 0 HD1 PHE A 382 -1.937 0.670 9.126 1.00 0.14 H new ATOM 0 HD2 PHE A 382 -4.537 -2.190 7.344 1.00 0.08 H new ATOM 0 HE1 PHE A 382 -0.371 -1.128 9.723 1.00 0.15 H new ATOM 0 HE2 PHE A 382 -2.987 -3.976 7.934 1.00 0.08 H new ATOM 0 HZ PHE A 382 -0.953 -3.526 9.033 1.00 0.10 H new ATOM 696 N TYR A 383 -5.569 3.220 8.596 1.00 0.08 N ATOM 697 CA TYR A 383 -6.317 4.390 8.140 1.00 0.09 C ATOM 698 C TYR A 383 -5.395 5.419 7.553 1.00 0.09 C ATOM 699 O TYR A 383 -4.371 5.738 8.155 1.00 0.11 O ATOM 700 CB TYR A 383 -7.102 5.076 9.255 1.00 0.12 C ATOM 701 CG TYR A 383 -8.112 4.205 9.975 1.00 0.25 C ATOM 702 CD1 TYR A 383 -9.296 3.824 9.352 1.00 0.39 C ATOM 703 CD2 TYR A 383 -7.883 3.757 11.268 1.00 0.53 C ATOM 704 CE1 TYR A 383 -10.218 3.022 10.000 1.00 0.51 C ATOM 705 CE2 TYR A 383 -8.800 2.960 11.921 1.00 0.64 C ATOM 706 CZ TYR A 383 -9.966 2.615 11.307 1.00 0.54 C ATOM 707 OH TYR A 383 -10.877 1.791 11.937 1.00 0.69 O ATOM 0 H TYR A 383 -4.632 3.425 8.942 1.00 0.08 H new ATOM 0 HA TYR A 383 -7.016 4.008 7.396 1.00 0.09 H new ATOM 0 HB2 TYR A 383 -6.394 5.463 9.988 1.00 0.12 H new ATOM 0 HB3 TYR A 383 -7.625 5.934 8.832 1.00 0.12 H new ATOM 0 HD1 TYR A 383 -9.499 4.160 8.346 1.00 0.39 H new ATOM 0 HD2 TYR A 383 -6.970 4.037 11.772 1.00 0.53 H new ATOM 0 HE1 TYR A 383 -11.123 2.715 9.497 1.00 0.51 H new ATOM 0 HE2 TYR A 383 -8.593 2.609 12.921 1.00 0.64 H new ATOM 0 HH TYR A 383 -10.564 1.591 12.844 1.00 0.69 H new ATOM 717 N VAL A 384 -5.770 5.984 6.423 1.00 0.09 N ATOM 718 CA VAL A 384 -4.953 7.012 5.833 1.00 0.10 C ATOM 719 C VAL A 384 -5.078 8.311 6.616 1.00 0.11 C ATOM 720 O VAL A 384 -6.176 8.824 6.844 1.00 0.13 O ATOM 721 CB VAL A 384 -5.258 7.229 4.328 1.00 0.11 C ATOM 722 CG1 VAL A 384 -6.697 6.928 4.004 1.00 0.12 C ATOM 723 CG2 VAL A 384 -4.928 8.641 3.908 1.00 0.14 C ATOM 0 H VAL A 384 -6.619 5.752 5.907 1.00 0.09 H new ATOM 0 HA VAL A 384 -3.919 6.671 5.889 1.00 0.10 H new ATOM 0 HB VAL A 384 -4.628 6.535 3.772 1.00 0.11 H new ATOM 0 HG11 VAL A 384 -6.872 7.091 2.941 1.00 0.12 H new ATOM 0 HG12 VAL A 384 -6.916 5.890 4.253 1.00 0.12 H new ATOM 0 HG13 VAL A 384 -7.346 7.585 4.584 1.00 0.12 H new ATOM 0 HG21 VAL A 384 -5.151 8.767 2.848 1.00 0.14 H new ATOM 0 HG22 VAL A 384 -5.525 9.343 4.490 1.00 0.14 H new ATOM 0 HG23 VAL A 384 -3.869 8.834 4.081 1.00 0.14 H new ATOM 733 N TRP A 385 -3.940 8.819 7.057 1.00 0.12 N ATOM 734 CA TRP A 385 -3.916 10.021 7.861 1.00 0.14 C ATOM 735 C TRP A 385 -3.335 11.195 7.113 1.00 0.16 C ATOM 736 O TRP A 385 -3.197 12.286 7.655 1.00 0.19 O ATOM 737 CB TRP A 385 -3.136 9.817 9.136 1.00 0.16 C ATOM 738 CG TRP A 385 -1.803 9.188 8.923 1.00 0.15 C ATOM 739 CD1 TRP A 385 -1.547 7.864 8.789 1.00 0.14 C ATOM 740 CD2 TRP A 385 -0.548 9.857 8.826 1.00 0.15 C ATOM 741 NE1 TRP A 385 -0.195 7.662 8.624 1.00 0.14 N ATOM 742 CE2 TRP A 385 0.439 8.875 8.648 1.00 0.15 C ATOM 743 CE3 TRP A 385 -0.168 11.192 8.878 1.00 0.17 C ATOM 744 CZ2 TRP A 385 1.789 9.193 8.521 1.00 0.15 C ATOM 745 CZ3 TRP A 385 1.163 11.510 8.754 1.00 0.18 C ATOM 746 CH2 TRP A 385 2.133 10.515 8.577 1.00 0.17 C ATOM 0 H TRP A 385 -3.022 8.415 6.870 1.00 0.12 H new ATOM 0 HA TRP A 385 -4.956 10.242 8.103 1.00 0.14 H new ATOM 0 HB2 TRP A 385 -3.000 10.780 9.627 1.00 0.16 H new ATOM 0 HB3 TRP A 385 -3.719 9.193 9.813 1.00 0.16 H new ATOM 0 HD1 TRP A 385 -2.293 7.083 8.809 1.00 0.14 H new ATOM 0 HE1 TRP A 385 0.260 6.757 8.504 1.00 0.14 H new ATOM 0 HE3 TRP A 385 -0.907 11.968 9.014 1.00 0.17 H new ATOM 0 HZ2 TRP A 385 2.535 8.425 8.384 1.00 0.15 H new ATOM 0 HZ3 TRP A 385 1.467 12.546 8.794 1.00 0.18 H new ATOM 0 HH2 TRP A 385 3.171 10.797 8.483 1.00 0.17 H new ATOM 757 N ASN A 386 -3.006 10.964 5.870 1.00 0.16 N ATOM 758 CA ASN A 386 -2.485 12.007 5.013 1.00 0.21 C ATOM 759 C ASN A 386 -2.534 11.571 3.568 1.00 0.20 C ATOM 760 O ASN A 386 -2.523 10.386 3.264 1.00 0.18 O ATOM 761 CB ASN A 386 -1.061 12.398 5.402 1.00 0.24 C ATOM 762 CG ASN A 386 -0.620 13.647 4.689 1.00 0.32 C ATOM 763 OD1 ASN A 386 -0.835 14.765 5.157 1.00 0.41 O ATOM 764 ND2 ASN A 386 -0.001 13.464 3.546 1.00 0.31 N ATOM 0 H ASN A 386 -3.089 10.053 5.420 1.00 0.16 H new ATOM 0 HA ASN A 386 -3.116 12.887 5.141 1.00 0.21 H new ATOM 0 HB2 ASN A 386 -1.006 12.554 6.479 1.00 0.24 H new ATOM 0 HB3 ASN A 386 -0.380 11.581 5.163 1.00 0.24 H new ATOM 0 HD21 ASN A 386 0.323 14.267 3.007 1.00 0.31 H new ATOM 0 HD22 ASN A 386 0.156 12.519 3.196 1.00 0.31 H new ATOM 771 N LYS A 387 -2.651 12.532 2.694 1.00 0.22 N ATOM 772 CA LYS A 387 -2.503 12.310 1.290 1.00 0.22 C ATOM 773 C LYS A 387 -1.256 12.997 0.795 1.00 0.19 C ATOM 774 O LYS A 387 -1.019 14.178 1.054 1.00 0.24 O ATOM 775 CB LYS A 387 -3.697 12.844 0.565 1.00 0.32 C ATOM 776 CG LYS A 387 -4.929 12.034 0.742 1.00 1.09 C ATOM 777 CD LYS A 387 -6.110 12.936 0.546 1.00 0.96 C ATOM 778 CE LYS A 387 -5.989 13.722 -0.729 1.00 0.57 C ATOM 779 NZ LYS A 387 -7.255 13.755 -1.501 1.00 0.67 N1+ ATOM 0 H LYS A 387 -2.854 13.500 2.943 1.00 0.22 H new ATOM 0 HA LYS A 387 -2.420 11.239 1.103 1.00 0.22 H new ATOM 0 HB2 LYS A 387 -3.892 13.860 0.908 1.00 0.32 H new ATOM 0 HB3 LYS A 387 -3.465 12.905 -0.498 1.00 0.32 H new ATOM 0 HG2 LYS A 387 -4.952 11.214 0.024 1.00 1.09 H new ATOM 0 HG3 LYS A 387 -4.952 11.587 1.736 1.00 1.09 H new ATOM 0 HD2 LYS A 387 -7.024 12.343 0.525 1.00 0.96 H new ATOM 0 HD3 LYS A 387 -6.193 13.620 1.391 1.00 0.96 H new ATOM 0 HE2 LYS A 387 -5.684 14.742 -0.495 1.00 0.57 H new ATOM 0 HE3 LYS A 387 -5.203 13.287 -1.346 1.00 0.57 H new ATOM 0 HZ1 LYS A 387 -7.117 14.309 -2.370 1.00 0.67 H new ATOM 0 HZ2 LYS A 387 -7.535 12.785 -1.750 1.00 0.67 H new ATOM 0 HZ3 LYS A 387 -8.001 14.194 -0.925 1.00 0.67 H new ATOM 793 N GLU A 388 -0.464 12.238 0.117 1.00 0.18 N ATOM 794 CA GLU A 388 0.783 12.707 -0.409 1.00 0.18 C ATOM 795 C GLU A 388 0.934 12.388 -1.866 1.00 0.23 C ATOM 796 O GLU A 388 0.944 11.254 -2.285 1.00 0.38 O ATOM 797 CB GLU A 388 1.903 12.125 0.404 1.00 0.16 C ATOM 798 CG GLU A 388 2.556 13.170 1.248 1.00 0.16 C ATOM 799 CD GLU A 388 3.666 12.636 2.136 1.00 0.20 C ATOM 800 OE1 GLU A 388 4.770 12.360 1.624 1.00 0.32 O ATOM 801 OE2 GLU A 388 3.441 12.498 3.357 1.00 0.32 O1- ATOM 0 H GLU A 388 -0.663 11.260 -0.093 1.00 0.18 H new ATOM 0 HA GLU A 388 0.811 13.794 -0.335 1.00 0.18 H new ATOM 0 HB2 GLU A 388 1.518 11.328 1.040 1.00 0.16 H new ATOM 0 HB3 GLU A 388 2.642 11.675 -0.259 1.00 0.16 H new ATOM 0 HG2 GLU A 388 2.964 13.945 0.599 1.00 0.16 H new ATOM 0 HG3 GLU A 388 1.799 13.644 1.873 1.00 0.16 H new ATOM 808 N GLU A 389 1.051 13.423 -2.627 1.00 0.17 N ATOM 809 CA GLU A 389 1.123 13.322 -4.043 1.00 0.19 C ATOM 810 C GLU A 389 2.454 13.788 -4.536 1.00 0.21 C ATOM 811 O GLU A 389 2.958 14.821 -4.086 1.00 0.26 O ATOM 812 CB GLU A 389 0.048 14.180 -4.621 1.00 0.21 C ATOM 813 CG GLU A 389 -1.330 13.787 -4.193 1.00 0.30 C ATOM 814 CD GLU A 389 -1.883 14.669 -3.093 1.00 1.06 C ATOM 815 OE1 GLU A 389 -2.450 15.736 -3.414 1.00 1.96 O1- ATOM 816 OE2 GLU A 389 -1.749 14.315 -1.909 1.00 1.18 O ATOM 0 H GLU A 389 1.100 14.379 -2.275 1.00 0.17 H new ATOM 0 HA GLU A 389 0.993 12.283 -4.345 1.00 0.19 H new ATOM 0 HB2 GLU A 389 0.227 15.216 -4.332 1.00 0.21 H new ATOM 0 HB3 GLU A 389 0.107 14.138 -5.709 1.00 0.21 H new ATOM 0 HG2 GLU A 389 -1.997 13.828 -5.054 1.00 0.30 H new ATOM 0 HG3 GLU A 389 -1.316 12.753 -3.849 1.00 0.30 H new ATOM 823 N ASP A 390 2.999 13.046 -5.458 1.00 0.20 N ATOM 824 CA ASP A 390 4.352 13.293 -5.946 1.00 0.19 C ATOM 825 C ASP A 390 5.261 13.423 -4.733 1.00 0.21 C ATOM 826 O ASP A 390 6.138 14.288 -4.625 1.00 0.40 O ATOM 827 CB ASP A 390 4.394 14.548 -6.800 1.00 0.24 C ATOM 828 CG ASP A 390 5.757 14.786 -7.430 1.00 0.26 C ATOM 829 OD1 ASP A 390 6.181 13.966 -8.273 1.00 0.38 O1- ATOM 830 OD2 ASP A 390 6.419 15.784 -7.071 1.00 0.36 O ATOM 0 H ASP A 390 2.532 12.254 -5.899 1.00 0.20 H new ATOM 0 HA ASP A 390 4.687 12.470 -6.577 1.00 0.19 H new ATOM 0 HB2 ASP A 390 3.643 14.472 -7.587 1.00 0.24 H new ATOM 0 HB3 ASP A 390 4.127 15.409 -6.187 1.00 0.24 H new ATOM 835 N ALA A 391 4.932 12.589 -3.777 1.00 0.15 N ATOM 836 CA ALA A 391 5.556 12.575 -2.495 1.00 0.16 C ATOM 837 C ALA A 391 6.747 11.664 -2.464 1.00 0.15 C ATOM 838 O ALA A 391 6.983 10.868 -3.366 1.00 0.16 O ATOM 839 CB ALA A 391 4.536 12.148 -1.462 1.00 0.16 C ATOM 0 H ALA A 391 4.201 11.885 -3.881 1.00 0.15 H new ATOM 0 HA ALA A 391 5.918 13.579 -2.272 1.00 0.16 H new ATOM 0 HB1 ALA A 391 5.001 12.133 -0.476 1.00 0.16 H new ATOM 0 HB2 ALA A 391 3.704 12.852 -1.460 1.00 0.16 H new ATOM 0 HB3 ALA A 391 4.168 11.151 -1.705 1.00 0.16 H new ATOM 845 N THR A 392 7.467 11.779 -1.390 1.00 0.16 N ATOM 846 CA THR A 392 8.669 11.030 -1.202 1.00 0.17 C ATOM 847 C THR A 392 8.621 10.303 0.112 1.00 0.16 C ATOM 848 O THR A 392 8.716 10.882 1.197 1.00 0.18 O ATOM 849 CB THR A 392 9.927 11.895 -1.280 1.00 0.20 C ATOM 850 OG1 THR A 392 10.197 12.249 -2.644 1.00 0.27 O ATOM 851 CG2 THR A 392 11.115 11.143 -0.681 1.00 0.22 C ATOM 0 H THR A 392 7.234 12.400 -0.615 1.00 0.16 H new ATOM 0 HA THR A 392 8.729 10.313 -2.021 1.00 0.17 H new ATOM 0 HB THR A 392 9.766 12.809 -0.708 1.00 0.20 H new ATOM 0 HG1 THR A 392 11.003 12.804 -2.684 1.00 0.27 H new ATOM 0 HG21 THR A 392 12.007 11.766 -0.740 1.00 0.22 H new ATOM 0 HG22 THR A 392 10.907 10.906 0.362 1.00 0.22 H new ATOM 0 HG23 THR A 392 11.279 10.220 -1.237 1.00 0.22 H new ATOM 859 N LEU A 393 8.392 9.038 -0.025 1.00 0.15 N ATOM 860 CA LEU A 393 8.426 8.106 1.046 1.00 0.16 C ATOM 861 C LEU A 393 9.823 7.826 1.444 1.00 0.17 C ATOM 862 O LEU A 393 10.746 8.056 0.682 1.00 0.18 O ATOM 863 CB LEU A 393 7.761 6.850 0.585 1.00 0.16 C ATOM 864 CG LEU A 393 6.257 6.910 0.539 1.00 0.19 C ATOM 865 CD1 LEU A 393 5.784 7.961 -0.442 1.00 0.16 C ATOM 866 CD2 LEU A 393 5.711 5.578 0.134 1.00 0.24 C ATOM 0 H LEU A 393 8.167 8.612 -0.924 1.00 0.15 H new ATOM 0 HA LEU A 393 7.907 8.514 1.913 1.00 0.16 H new ATOM 0 HB2 LEU A 393 8.131 6.604 -0.410 1.00 0.16 H new ATOM 0 HB3 LEU A 393 8.058 6.035 1.246 1.00 0.16 H new ATOM 0 HG LEU A 393 5.898 7.174 1.534 1.00 0.19 H new ATOM 0 HD11 LEU A 393 4.694 7.983 -0.455 1.00 0.16 H new ATOM 0 HD12 LEU A 393 6.163 8.937 -0.140 1.00 0.16 H new ATOM 0 HD13 LEU A 393 6.154 7.721 -1.439 1.00 0.16 H new ATOM 0 HD21 LEU A 393 4.623 5.625 0.102 1.00 0.24 H new ATOM 0 HD22 LEU A 393 6.092 5.313 -0.852 1.00 0.24 H new ATOM 0 HD23 LEU A 393 6.020 4.823 0.857 1.00 0.24 H new ATOM 878 N LYS A 394 9.967 7.367 2.645 1.00 0.20 N ATOM 879 CA LYS A 394 11.216 7.057 3.183 1.00 0.24 C ATOM 880 C LYS A 394 11.070 5.878 4.078 1.00 0.30 C ATOM 881 O LYS A 394 9.981 5.311 4.174 1.00 0.38 O ATOM 882 CB LYS A 394 11.768 8.247 3.891 1.00 0.29 C ATOM 883 CG LYS A 394 12.550 9.053 2.944 1.00 0.29 C ATOM 884 CD LYS A 394 12.115 10.469 2.892 1.00 0.61 C ATOM 885 CE LYS A 394 12.663 11.234 4.062 1.00 0.52 C ATOM 886 NZ LYS A 394 12.344 12.682 3.983 1.00 0.67 N1+ ATOM 0 H LYS A 394 9.188 7.199 3.281 1.00 0.20 H new ATOM 0 HA LYS A 394 11.925 6.798 2.397 1.00 0.24 H new ATOM 0 HB2 LYS A 394 10.958 8.843 4.312 1.00 0.29 H new ATOM 0 HB3 LYS A 394 12.397 7.931 4.723 1.00 0.29 H new ATOM 0 HG2 LYS A 394 13.603 9.012 3.223 1.00 0.29 H new ATOM 0 HG3 LYS A 394 12.467 8.616 1.949 1.00 0.29 H new ATOM 0 HD2 LYS A 394 12.454 10.925 1.962 1.00 0.61 H new ATOM 0 HD3 LYS A 394 11.026 10.521 2.895 1.00 0.61 H new ATOM 0 HE2 LYS A 394 12.255 10.824 4.986 1.00 0.52 H new ATOM 0 HE3 LYS A 394 13.744 11.104 4.105 1.00 0.52 H new ATOM 0 HZ1 LYS A 394 12.741 13.171 4.811 1.00 0.67 H new ATOM 0 HZ2 LYS A 394 12.755 13.081 3.115 1.00 0.67 H new ATOM 0 HZ3 LYS A 394 11.312 12.810 3.968 1.00 0.67 H new ATOM 900 N GLY A 395 12.120 5.486 4.728 1.00 0.32 N ATOM 901 CA GLY A 395 11.963 4.363 5.593 1.00 0.39 C ATOM 902 C GLY A 395 13.188 3.946 6.321 1.00 0.44 C ATOM 903 O GLY A 395 14.030 4.756 6.696 1.00 0.81 O ATOM 0 H GLY A 395 13.050 5.902 4.682 1.00 0.32 H new ATOM 0 HA2 GLY A 395 11.187 4.593 6.323 1.00 0.39 H new ATOM 0 HA3 GLY A 395 11.605 3.519 5.004 1.00 0.39 H new ATOM 907 N THR A 396 13.252 2.648 6.511 1.00 0.58 N ATOM 908 CA THR A 396 14.362 1.995 7.107 1.00 0.57 C ATOM 909 C THR A 396 14.617 0.693 6.412 1.00 0.60 C ATOM 910 O THR A 396 13.748 -0.168 6.273 1.00 0.71 O ATOM 911 CB THR A 396 14.178 1.793 8.597 1.00 0.67 C ATOM 912 OG1 THR A 396 12.784 1.756 8.948 1.00 0.79 O ATOM 913 CG2 THR A 396 14.890 2.920 9.304 1.00 0.68 C ATOM 0 H THR A 396 12.503 2.011 6.242 1.00 0.58 H new ATOM 0 HA THR A 396 15.233 2.639 6.989 1.00 0.57 H new ATOM 0 HB THR A 396 14.600 0.835 8.901 1.00 0.67 H new ATOM 0 HG1 THR A 396 12.693 1.623 9.915 1.00 0.79 H new ATOM 0 HG21 THR A 396 14.776 2.803 10.382 1.00 0.68 H new ATOM 0 HG22 THR A 396 15.949 2.899 9.047 1.00 0.68 H new ATOM 0 HG23 THR A 396 14.460 3.873 8.995 1.00 0.68 H new ATOM 921 N ASN A 397 15.818 0.640 5.907 1.00 0.55 N ATOM 922 CA ASN A 397 16.368 -0.495 5.214 1.00 0.62 C ATOM 923 C ASN A 397 16.249 -1.766 6.019 1.00 0.69 C ATOM 924 O ASN A 397 15.734 -1.767 7.138 1.00 0.70 O ATOM 925 CB ASN A 397 17.835 -0.306 4.930 1.00 0.63 C ATOM 926 CG ASN A 397 18.145 0.626 3.784 1.00 0.70 C ATOM 927 OD1 ASN A 397 19.175 0.497 3.129 1.00 1.12 O ATOM 928 ND2 ASN A 397 17.260 1.550 3.523 1.00 0.50 N ATOM 0 H ASN A 397 16.471 1.421 5.969 1.00 0.55 H new ATOM 0 HA ASN A 397 15.795 -0.575 4.290 1.00 0.62 H new ATOM 0 HB2 ASN A 397 18.318 0.075 5.830 1.00 0.63 H new ATOM 0 HB3 ASN A 397 18.278 -1.279 4.718 1.00 0.63 H new ATOM 0 HD21 ASN A 397 17.412 2.198 2.750 1.00 0.50 H new ATOM 0 HD22 ASN A 397 16.417 1.624 4.092 1.00 0.50 H new ATOM 935 N ASP A 398 16.751 -2.842 5.462 1.00 0.78 N ATOM 936 CA ASP A 398 16.869 -4.086 6.192 1.00 0.85 C ATOM 937 C ASP A 398 17.567 -3.879 7.533 1.00 0.78 C ATOM 938 O ASP A 398 17.305 -4.602 8.495 1.00 0.83 O ATOM 939 CB ASP A 398 17.647 -5.115 5.381 1.00 0.97 C ATOM 940 CG ASP A 398 18.956 -4.578 4.846 1.00 1.23 C ATOM 941 OD1 ASP A 398 18.937 -3.863 3.822 1.00 1.63 O1- ATOM 942 OD2 ASP A 398 20.010 -4.859 5.455 1.00 1.65 O ATOM 0 H ASP A 398 17.087 -2.883 4.500 1.00 0.78 H new ATOM 0 HA ASP A 398 15.858 -4.451 6.372 1.00 0.85 H new ATOM 0 HB2 ASP A 398 17.846 -5.986 6.005 1.00 0.97 H new ATOM 0 HB3 ASP A 398 17.032 -5.453 4.547 1.00 0.97 H new ATOM 947 N ASP A 399 18.416 -2.864 7.612 1.00 0.73 N ATOM 948 CA ASP A 399 19.216 -2.652 8.809 1.00 0.78 C ATOM 949 C ASP A 399 18.597 -1.616 9.702 1.00 0.74 C ATOM 950 O ASP A 399 18.739 -1.662 10.924 1.00 0.86 O ATOM 951 CB ASP A 399 20.605 -2.166 8.447 1.00 0.85 C ATOM 952 CG ASP A 399 20.639 -1.300 7.205 1.00 1.18 C ATOM 953 OD1 ASP A 399 19.796 -0.384 7.087 1.00 2.00 O1- ATOM 954 OD2 ASP A 399 21.507 -1.527 6.342 1.00 1.39 O ATOM 0 H ASP A 399 18.568 -2.181 6.870 1.00 0.73 H new ATOM 0 HA ASP A 399 19.266 -3.610 9.326 1.00 0.78 H new ATOM 0 HB2 ASP A 399 21.013 -1.601 9.285 1.00 0.85 H new ATOM 0 HB3 ASP A 399 21.255 -3.028 8.297 1.00 0.85 H new ATOM 959 N GLY A 400 17.907 -0.697 9.104 1.00 0.65 N ATOM 960 CA GLY A 400 17.399 0.408 9.859 1.00 0.65 C ATOM 961 C GLY A 400 18.027 1.709 9.437 1.00 0.61 C ATOM 962 O GLY A 400 18.325 2.571 10.264 1.00 0.66 O ATOM 0 H GLY A 400 17.684 -0.687 8.109 1.00 0.65 H new ATOM 0 HA2 GLY A 400 16.318 0.468 9.733 1.00 0.65 H new ATOM 0 HA3 GLY A 400 17.587 0.241 10.920 1.00 0.65 H new ATOM 966 N THR A 401 18.255 1.832 8.150 1.00 0.56 N ATOM 967 CA THR A 401 18.738 3.037 7.570 1.00 0.56 C ATOM 968 C THR A 401 17.718 3.515 6.586 1.00 0.50 C ATOM 969 O THR A 401 16.998 2.746 6.015 1.00 0.50 O ATOM 970 CB THR A 401 20.063 2.837 6.840 1.00 0.61 C ATOM 971 OG1 THR A 401 19.920 1.856 5.809 1.00 0.61 O ATOM 972 CG2 THR A 401 21.139 2.385 7.802 1.00 0.68 C ATOM 0 H THR A 401 18.104 1.080 7.478 1.00 0.56 H new ATOM 0 HA THR A 401 18.906 3.760 8.369 1.00 0.56 H new ATOM 0 HB THR A 401 20.350 3.792 6.400 1.00 0.61 H new ATOM 0 HG1 THR A 401 20.181 0.977 6.155 1.00 0.61 H new ATOM 0 HG21 THR A 401 22.076 2.248 7.262 1.00 0.68 H new ATOM 0 HG22 THR A 401 21.274 3.139 8.577 1.00 0.68 H new ATOM 0 HG23 THR A 401 20.844 1.442 8.261 1.00 0.68 H new ATOM 980 N PRO A 402 17.646 4.773 6.368 1.00 0.50 N ATOM 981 CA PRO A 402 16.621 5.366 5.550 1.00 0.46 C ATOM 982 C PRO A 402 16.699 4.960 4.107 1.00 0.45 C ATOM 983 O PRO A 402 17.710 4.472 3.602 1.00 0.56 O ATOM 984 CB PRO A 402 16.928 6.829 5.655 1.00 0.55 C ATOM 985 CG PRO A 402 18.370 6.810 5.865 1.00 0.81 C ATOM 986 CD PRO A 402 18.556 5.759 6.868 1.00 0.58 C ATOM 0 HA PRO A 402 15.627 5.065 5.881 1.00 0.46 H new ATOM 0 HB2 PRO A 402 16.652 7.372 4.751 1.00 0.55 H new ATOM 0 HB3 PRO A 402 16.399 7.301 6.483 1.00 0.55 H new ATOM 0 HG2 PRO A 402 18.907 6.585 4.943 1.00 0.81 H new ATOM 0 HG3 PRO A 402 18.737 7.773 6.220 1.00 0.81 H new ATOM 0 HD2 PRO A 402 19.583 5.397 6.906 1.00 0.58 H new ATOM 0 HD3 PRO A 402 18.298 6.092 7.873 1.00 0.58 H new ATOM 994 N TYR A 403 15.611 5.203 3.470 1.00 0.36 N ATOM 995 CA TYR A 403 15.480 5.024 2.038 1.00 0.34 C ATOM 996 C TYR A 403 14.419 5.977 1.565 1.00 0.29 C ATOM 997 O TYR A 403 13.940 6.760 2.355 1.00 0.29 O ATOM 998 CB TYR A 403 15.125 3.572 1.666 1.00 0.34 C ATOM 999 CG TYR A 403 13.757 3.106 2.120 1.00 0.31 C ATOM 1000 CD1 TYR A 403 12.602 3.544 1.482 1.00 0.29 C ATOM 1001 CD2 TYR A 403 13.619 2.235 3.189 1.00 0.37 C ATOM 1002 CE1 TYR A 403 11.356 3.133 1.894 1.00 0.28 C ATOM 1003 CE2 TYR A 403 12.373 1.821 3.605 1.00 0.38 C ATOM 1004 CZ TYR A 403 11.244 2.272 2.957 1.00 0.32 C ATOM 1005 OH TYR A 403 10.001 1.852 3.372 1.00 0.35 O ATOM 0 H TYR A 403 14.761 5.539 3.922 1.00 0.36 H new ATOM 0 HA TYR A 403 16.433 5.232 1.552 1.00 0.34 H new ATOM 0 HB2 TYR A 403 15.186 3.466 0.583 1.00 0.34 H new ATOM 0 HB3 TYR A 403 15.877 2.910 2.094 1.00 0.34 H new ATOM 0 HD1 TYR A 403 12.685 4.221 0.645 1.00 0.29 H new ATOM 0 HD2 TYR A 403 14.499 1.877 3.702 1.00 0.37 H new ATOM 0 HE1 TYR A 403 10.471 3.485 1.384 1.00 0.28 H new ATOM 0 HE2 TYR A 403 12.281 1.142 4.440 1.00 0.38 H new ATOM 0 HH TYR A 403 9.390 1.832 2.606 1.00 0.35 H new ATOM 1015 N GLU A 404 14.051 5.897 0.312 1.00 0.28 N ATOM 1016 CA GLU A 404 12.968 6.702 -0.231 1.00 0.24 C ATOM 1017 C GLU A 404 12.159 5.932 -1.242 1.00 0.24 C ATOM 1018 O GLU A 404 12.598 4.932 -1.807 1.00 0.31 O ATOM 1019 CB GLU A 404 13.461 7.963 -0.913 1.00 0.27 C ATOM 1020 CG GLU A 404 13.765 9.121 -0.006 1.00 0.29 C ATOM 1021 CD GLU A 404 14.665 10.151 -0.657 1.00 0.36 C ATOM 1022 OE1 GLU A 404 14.168 10.923 -1.501 1.00 0.45 O ATOM 1023 OE2 GLU A 404 15.869 10.193 -0.324 1.00 0.62 O1- ATOM 0 H GLU A 404 14.489 5.274 -0.367 1.00 0.28 H new ATOM 0 HA GLU A 404 12.355 6.970 0.629 1.00 0.24 H new ATOM 0 HB2 GLU A 404 14.362 7.720 -1.476 1.00 0.27 H new ATOM 0 HB3 GLU A 404 12.709 8.280 -1.636 1.00 0.27 H new ATOM 0 HG2 GLU A 404 12.832 9.597 0.294 1.00 0.29 H new ATOM 0 HG3 GLU A 404 14.240 8.751 0.902 1.00 0.29 H new ATOM 1030 N SER A 405 10.964 6.428 -1.430 1.00 0.20 N ATOM 1031 CA SER A 405 10.047 5.940 -2.397 1.00 0.20 C ATOM 1032 C SER A 405 9.432 7.143 -3.105 1.00 0.18 C ATOM 1033 O SER A 405 8.537 7.804 -2.568 1.00 0.23 O ATOM 1034 CB SER A 405 8.994 5.135 -1.650 1.00 0.26 C ATOM 1035 OG SER A 405 7.682 5.485 -2.036 1.00 1.33 O ATOM 0 H SER A 405 10.600 7.212 -0.888 1.00 0.20 H new ATOM 0 HA SER A 405 10.521 5.303 -3.144 1.00 0.20 H new ATOM 0 HB2 SER A 405 9.154 4.072 -1.834 1.00 0.26 H new ATOM 0 HB3 SER A 405 9.110 5.294 -0.578 1.00 0.26 H new ATOM 0 HG SER A 405 7.593 5.400 -3.008 1.00 1.33 H new ATOM 1041 N PRO A 406 9.949 7.490 -4.284 1.00 0.18 N ATOM 1042 CA PRO A 406 9.378 8.536 -5.100 1.00 0.19 C ATOM 1043 C PRO A 406 8.026 8.113 -5.612 1.00 0.17 C ATOM 1044 O PRO A 406 7.902 7.355 -6.573 1.00 0.17 O ATOM 1045 CB PRO A 406 10.377 8.671 -6.242 1.00 0.20 C ATOM 1046 CG PRO A 406 10.974 7.330 -6.327 1.00 0.19 C ATOM 1047 CD PRO A 406 11.118 6.900 -4.909 1.00 0.18 C ATOM 0 HA PRO A 406 9.221 9.472 -4.564 1.00 0.19 H new ATOM 0 HB2 PRO A 406 9.887 8.953 -7.174 1.00 0.20 H new ATOM 0 HB3 PRO A 406 11.127 9.433 -6.032 1.00 0.20 H new ATOM 0 HG2 PRO A 406 10.337 6.646 -6.887 1.00 0.19 H new ATOM 0 HG3 PRO A 406 11.938 7.355 -6.835 1.00 0.19 H new ATOM 0 HD2 PRO A 406 11.126 5.814 -4.813 1.00 0.18 H new ATOM 0 HD3 PRO A 406 12.044 7.266 -4.466 1.00 0.18 H new ATOM 1055 N VAL A 407 7.029 8.644 -4.987 1.00 0.17 N ATOM 1056 CA VAL A 407 5.690 8.293 -5.225 1.00 0.17 C ATOM 1057 C VAL A 407 4.952 9.469 -5.823 1.00 0.19 C ATOM 1058 O VAL A 407 5.408 10.608 -5.791 1.00 0.30 O ATOM 1059 CB VAL A 407 5.134 7.843 -3.868 1.00 0.16 C ATOM 1060 CG1 VAL A 407 3.892 8.589 -3.473 1.00 0.15 C ATOM 1061 CG2 VAL A 407 4.977 6.334 -3.820 1.00 0.23 C ATOM 0 H VAL A 407 7.141 9.361 -4.271 1.00 0.17 H new ATOM 0 HA VAL A 407 5.577 7.486 -5.949 1.00 0.17 H new ATOM 0 HB VAL A 407 5.868 8.106 -3.106 1.00 0.16 H new ATOM 0 HG11 VAL A 407 3.544 8.229 -2.505 1.00 0.15 H new ATOM 0 HG12 VAL A 407 4.113 9.654 -3.406 1.00 0.15 H new ATOM 0 HG13 VAL A 407 3.116 8.426 -4.221 1.00 0.15 H new ATOM 0 HG21 VAL A 407 4.581 6.040 -2.848 1.00 0.23 H new ATOM 0 HG22 VAL A 407 4.289 6.015 -4.603 1.00 0.23 H new ATOM 0 HG23 VAL A 407 5.947 5.862 -3.974 1.00 0.23 H new ATOM 1071 N ASN A 408 3.868 9.137 -6.447 1.00 0.19 N ATOM 1072 CA ASN A 408 3.011 10.055 -7.132 1.00 0.21 C ATOM 1073 C ASN A 408 1.756 10.173 -6.326 1.00 0.19 C ATOM 1074 O ASN A 408 1.135 11.226 -6.229 1.00 0.26 O ATOM 1075 CB ASN A 408 2.716 9.431 -8.471 1.00 0.34 C ATOM 1076 CG ASN A 408 3.977 9.158 -9.219 1.00 1.01 C ATOM 1077 OD1 ASN A 408 4.448 9.956 -10.028 1.00 1.84 O ATOM 1078 ND2 ASN A 408 4.530 8.008 -8.933 1.00 1.01 N ATOM 0 H ASN A 408 3.539 8.173 -6.496 1.00 0.19 H new ATOM 0 HA ASN A 408 3.452 11.043 -7.262 1.00 0.21 H new ATOM 0 HB2 ASN A 408 2.163 8.502 -8.330 1.00 0.34 H new ATOM 0 HB3 ASN A 408 2.079 10.096 -9.054 1.00 0.34 H new ATOM 0 HD21 ASN A 408 5.399 7.732 -9.390 1.00 1.01 H new ATOM 0 HD22 ASN A 408 4.092 7.387 -8.253 1.00 1.01 H new ATOM 1085 N TYR A 409 1.422 9.051 -5.733 1.00 0.15 N ATOM 1086 CA TYR A 409 0.268 8.954 -4.847 1.00 0.15 C ATOM 1087 C TYR A 409 0.613 8.157 -3.603 1.00 0.14 C ATOM 1088 O TYR A 409 0.928 6.971 -3.676 1.00 0.15 O ATOM 1089 CB TYR A 409 -0.919 8.314 -5.543 1.00 0.19 C ATOM 1090 CG TYR A 409 -1.325 9.034 -6.799 1.00 0.23 C ATOM 1091 CD1 TYR A 409 -1.731 10.357 -6.745 1.00 0.38 C ATOM 1092 CD2 TYR A 409 -1.281 8.407 -8.034 1.00 0.31 C ATOM 1093 CE1 TYR A 409 -2.088 11.039 -7.882 1.00 0.44 C ATOM 1094 CE2 TYR A 409 -1.634 9.083 -9.183 1.00 0.34 C ATOM 1095 CZ TYR A 409 -2.037 10.399 -9.103 1.00 0.35 C ATOM 1096 OH TYR A 409 -2.387 11.081 -10.245 1.00 0.41 O ATOM 0 H TYR A 409 1.936 8.177 -5.846 1.00 0.15 H new ATOM 0 HA TYR A 409 -0.005 9.970 -4.563 1.00 0.15 H new ATOM 0 HB2 TYR A 409 -0.675 7.280 -5.787 1.00 0.19 H new ATOM 0 HB3 TYR A 409 -1.765 8.289 -4.856 1.00 0.19 H new ATOM 0 HD1 TYR A 409 -1.767 10.862 -5.791 1.00 0.38 H new ATOM 0 HD2 TYR A 409 -0.966 7.376 -8.097 1.00 0.31 H new ATOM 0 HE1 TYR A 409 -2.406 12.069 -7.821 1.00 0.44 H new ATOM 0 HE2 TYR A 409 -1.595 8.584 -10.140 1.00 0.34 H new ATOM 0 HH TYR A 409 -1.687 10.967 -10.921 1.00 0.41 H new ATOM 1106 N TRP A 410 0.552 8.830 -2.482 1.00 0.13 N ATOM 1107 CA TRP A 410 0.857 8.264 -1.187 1.00 0.11 C ATOM 1108 C TRP A 410 -0.318 8.423 -0.267 1.00 0.10 C ATOM 1109 O TRP A 410 -0.942 9.483 -0.195 1.00 0.12 O ATOM 1110 CB TRP A 410 2.069 8.977 -0.582 1.00 0.12 C ATOM 1111 CG TRP A 410 2.480 8.529 0.786 1.00 0.11 C ATOM 1112 CD1 TRP A 410 2.864 9.341 1.801 1.00 0.12 C ATOM 1113 CD2 TRP A 410 2.580 7.194 1.283 1.00 0.11 C ATOM 1114 NE1 TRP A 410 3.177 8.606 2.904 1.00 0.13 N ATOM 1115 CE2 TRP A 410 3.024 7.275 2.612 1.00 0.11 C ATOM 1116 CE3 TRP A 410 2.335 5.946 0.735 1.00 0.11 C ATOM 1117 CZ2 TRP A 410 3.231 6.140 3.397 1.00 0.12 C ATOM 1118 CZ3 TRP A 410 2.543 4.826 1.502 1.00 0.11 C ATOM 1119 CH2 TRP A 410 2.991 4.928 2.822 1.00 0.11 C ATOM 0 H TRP A 410 0.282 9.813 -2.441 1.00 0.13 H new ATOM 0 HA TRP A 410 1.079 7.204 -1.311 1.00 0.11 H new ATOM 0 HB2 TRP A 410 2.916 8.845 -1.255 1.00 0.12 H new ATOM 0 HB3 TRP A 410 1.855 10.045 -0.544 1.00 0.12 H new ATOM 0 HD1 TRP A 410 2.915 10.418 1.743 1.00 0.12 H new ATOM 0 HE1 TRP A 410 3.477 8.985 3.802 1.00 0.13 H new ATOM 0 HE3 TRP A 410 1.985 5.855 -0.283 1.00 0.11 H new ATOM 0 HZ2 TRP A 410 3.568 6.219 4.420 1.00 0.12 H new ATOM 0 HZ3 TRP A 410 2.357 3.850 1.078 1.00 0.11 H new ATOM 0 HH2 TRP A 410 3.150 4.028 3.398 1.00 0.11 H new ATOM 1130 N MET A 411 -0.618 7.364 0.425 1.00 0.09 N ATOM 1131 CA MET A 411 -1.624 7.398 1.438 1.00 0.10 C ATOM 1132 C MET A 411 -1.161 6.655 2.687 1.00 0.09 C ATOM 1133 O MET A 411 -1.422 5.462 2.841 1.00 0.10 O ATOM 1134 CB MET A 411 -2.882 6.792 0.883 1.00 0.12 C ATOM 1135 CG MET A 411 -3.914 7.827 0.499 1.00 0.14 C ATOM 1136 SD MET A 411 -4.799 7.360 -0.990 1.00 0.41 S ATOM 1137 CE MET A 411 -5.159 5.654 -0.608 1.00 0.13 C ATOM 0 H MET A 411 -0.172 6.455 0.302 1.00 0.09 H new ATOM 0 HA MET A 411 -1.817 8.430 1.731 1.00 0.10 H new ATOM 0 HB2 MET A 411 -2.634 6.191 0.008 1.00 0.12 H new ATOM 0 HB3 MET A 411 -3.311 6.116 1.623 1.00 0.12 H new ATOM 0 HG2 MET A 411 -4.622 7.956 1.318 1.00 0.14 H new ATOM 0 HG3 MET A 411 -3.425 8.789 0.345 1.00 0.14 H new ATOM 0 HE1 MET A 411 -5.583 5.166 -1.486 1.00 0.13 H new ATOM 0 HE2 MET A 411 -4.240 5.144 -0.318 1.00 0.13 H new ATOM 0 HE3 MET A 411 -5.874 5.608 0.213 1.00 0.13 H new ATOM 1147 N PRO A 412 -0.444 7.346 3.584 1.00 0.09 N ATOM 1148 CA PRO A 412 0.090 6.748 4.812 1.00 0.09 C ATOM 1149 C PRO A 412 -0.997 6.446 5.814 1.00 0.09 C ATOM 1150 O PRO A 412 -1.957 7.199 5.975 1.00 0.09 O ATOM 1151 CB PRO A 412 1.001 7.846 5.352 1.00 0.10 C ATOM 1152 CG PRO A 412 0.370 9.097 4.876 1.00 0.16 C ATOM 1153 CD PRO A 412 -0.098 8.779 3.487 1.00 0.11 C ATOM 0 HA PRO A 412 0.590 5.797 4.627 1.00 0.09 H new ATOM 0 HB2 PRO A 412 1.060 7.817 6.440 1.00 0.10 H new ATOM 0 HB3 PRO A 412 2.018 7.743 4.975 1.00 0.10 H new ATOM 0 HG2 PRO A 412 -0.461 9.391 5.517 1.00 0.16 H new ATOM 0 HG3 PRO A 412 1.080 9.924 4.876 1.00 0.16 H new ATOM 0 HD2 PRO A 412 -0.957 9.385 3.200 1.00 0.11 H new ATOM 0 HD3 PRO A 412 0.681 8.959 2.746 1.00 0.11 H new ATOM 1161 N ILE A 413 -0.833 5.308 6.454 1.00 0.09 N ATOM 1162 CA ILE A 413 -1.833 4.753 7.338 1.00 0.10 C ATOM 1163 C ILE A 413 -1.265 4.510 8.719 1.00 0.14 C ATOM 1164 O ILE A 413 -1.998 4.282 9.675 1.00 0.17 O ATOM 1165 CB ILE A 413 -2.326 3.435 6.765 1.00 0.09 C ATOM 1166 CG1 ILE A 413 -1.191 2.399 6.777 1.00 0.10 C ATOM 1167 CG2 ILE A 413 -2.821 3.705 5.366 1.00 0.09 C ATOM 1168 CD1 ILE A 413 -1.467 1.165 5.958 1.00 0.11 C ATOM 0 H ILE A 413 0.008 4.737 6.374 1.00 0.09 H new ATOM 0 HA ILE A 413 -2.654 5.465 7.422 1.00 0.10 H new ATOM 0 HB ILE A 413 -3.138 3.024 7.365 1.00 0.09 H new ATOM 0 HG12 ILE A 413 -0.281 2.871 6.406 1.00 0.10 H new ATOM 0 HG13 ILE A 413 -0.998 2.101 7.808 1.00 0.10 H new ATOM 0 HG21 ILE A 413 -3.184 2.777 4.923 1.00 0.09 H new ATOM 0 HG22 ILE A 413 -3.633 4.432 5.401 1.00 0.09 H new ATOM 0 HG23 ILE A 413 -2.005 4.101 4.761 1.00 0.09 H new ATOM 0 HD11 ILE A 413 -0.615 0.488 6.022 1.00 0.11 H new ATOM 0 HD12 ILE A 413 -2.357 0.666 6.341 1.00 0.11 H new ATOM 0 HD13 ILE A 413 -1.629 1.447 4.918 1.00 0.11 H new ATOM 1180 N ASP A 414 0.055 4.505 8.790 1.00 0.15 N ATOM 1181 CA ASP A 414 0.757 4.368 10.049 1.00 0.22 C ATOM 1182 C ASP A 414 1.891 5.394 10.111 1.00 0.21 C ATOM 1183 O ASP A 414 2.205 6.018 9.097 1.00 0.22 O ATOM 1184 CB ASP A 414 1.267 2.928 10.215 1.00 0.31 C ATOM 1185 CG ASP A 414 2.764 2.852 10.392 1.00 0.88 C ATOM 1186 OD1 ASP A 414 3.498 3.023 9.399 1.00 1.23 O1- ATOM 1187 OD2 ASP A 414 3.218 2.668 11.538 1.00 1.59 O ATOM 0 H ASP A 414 0.666 4.596 7.978 1.00 0.15 H new ATOM 0 HA ASP A 414 0.080 4.566 10.880 1.00 0.22 H new ATOM 0 HB2 ASP A 414 0.781 2.473 11.078 1.00 0.31 H new ATOM 0 HB3 ASP A 414 0.979 2.343 9.341 1.00 0.31 H new ATOM 1192 N TRP A 415 2.505 5.562 11.275 1.00 0.24 N ATOM 1193 CA TRP A 415 3.540 6.574 11.448 1.00 0.25 C ATOM 1194 C TRP A 415 4.962 5.997 11.420 1.00 0.27 C ATOM 1195 O TRP A 415 5.908 6.681 11.811 1.00 0.31 O ATOM 1196 CB TRP A 415 3.308 7.387 12.721 1.00 0.28 C ATOM 1197 CG TRP A 415 2.253 8.441 12.562 1.00 0.28 C ATOM 1198 CD1 TRP A 415 2.460 9.775 12.372 1.00 0.30 C ATOM 1199 CD2 TRP A 415 0.830 8.254 12.562 1.00 0.27 C ATOM 1200 NE1 TRP A 415 1.260 10.431 12.265 1.00 0.30 N ATOM 1201 CE2 TRP A 415 0.244 9.520 12.377 1.00 0.28 C ATOM 1202 CE3 TRP A 415 -0.008 7.145 12.704 1.00 0.27 C ATOM 1203 CZ2 TRP A 415 -1.136 9.702 12.328 1.00 0.28 C ATOM 1204 CZ3 TRP A 415 -1.377 7.335 12.653 1.00 0.27 C ATOM 1205 CH2 TRP A 415 -1.926 8.603 12.467 1.00 0.27 C ATOM 0 H TRP A 415 2.306 5.013 12.111 1.00 0.24 H new ATOM 0 HA TRP A 415 3.460 7.239 10.588 1.00 0.25 H new ATOM 0 HB2 TRP A 415 3.021 6.713 13.528 1.00 0.28 H new ATOM 0 HB3 TRP A 415 4.244 7.860 13.018 1.00 0.28 H new ATOM 0 HD1 TRP A 415 3.429 10.247 12.314 1.00 0.30 H new ATOM 0 HE1 TRP A 415 1.144 11.435 12.125 1.00 0.30 H new ATOM 0 HE3 TRP A 415 0.405 6.158 12.851 1.00 0.27 H new ATOM 0 HZ2 TRP A 415 -1.565 10.683 12.184 1.00 0.28 H new ATOM 0 HZ3 TRP A 415 -2.034 6.484 12.759 1.00 0.27 H new ATOM 0 HH2 TRP A 415 -3.000 8.715 12.433 1.00 0.27 H new ATOM 1216 N THR A 416 5.139 4.764 10.963 1.00 0.27 N ATOM 1217 CA THR A 416 6.490 4.250 10.781 1.00 0.32 C ATOM 1218 C THR A 416 6.852 4.401 9.330 1.00 0.30 C ATOM 1219 O THR A 416 8.016 4.591 8.962 1.00 0.35 O ATOM 1220 CB THR A 416 6.662 2.772 11.195 1.00 0.40 C ATOM 1221 OG1 THR A 416 5.648 1.946 10.606 1.00 0.41 O ATOM 1222 CG2 THR A 416 6.639 2.619 12.705 1.00 0.44 C ATOM 0 H THR A 416 4.389 4.118 10.718 1.00 0.27 H new ATOM 0 HA THR A 416 7.146 4.825 11.434 1.00 0.32 H new ATOM 0 HB THR A 416 7.634 2.445 10.826 1.00 0.40 H new ATOM 0 HG1 THR A 416 5.164 2.458 9.924 1.00 0.41 H new ATOM 0 HG21 THR A 416 6.762 1.568 12.966 1.00 0.44 H new ATOM 0 HG22 THR A 416 7.452 3.199 13.142 1.00 0.44 H new ATOM 0 HG23 THR A 416 5.686 2.980 13.093 1.00 0.44 H new ATOM 1230 N GLY A 417 5.819 4.368 8.515 1.00 0.24 N ATOM 1231 CA GLY A 417 5.972 4.659 7.125 1.00 0.24 C ATOM 1232 C GLY A 417 5.236 3.702 6.235 1.00 0.19 C ATOM 1233 O GLY A 417 5.641 3.463 5.099 1.00 0.20 O ATOM 0 H GLY A 417 4.867 4.141 8.802 1.00 0.24 H new ATOM 0 HA2 GLY A 417 5.617 5.671 6.931 1.00 0.24 H new ATOM 0 HA3 GLY A 417 7.032 4.639 6.871 1.00 0.24 H new ATOM 1237 N VAL A 418 4.147 3.150 6.735 1.00 0.15 N ATOM 1238 CA VAL A 418 3.344 2.273 5.924 1.00 0.11 C ATOM 1239 C VAL A 418 2.094 2.965 5.418 1.00 0.09 C ATOM 1240 O VAL A 418 1.537 3.853 6.072 1.00 0.09 O ATOM 1241 CB VAL A 418 2.972 0.975 6.667 1.00 0.14 C ATOM 1242 CG1 VAL A 418 2.050 0.104 5.831 1.00 0.14 C ATOM 1243 CG2 VAL A 418 4.231 0.217 6.982 1.00 0.17 C ATOM 0 H VAL A 418 3.806 3.294 7.686 1.00 0.15 H new ATOM 0 HA VAL A 418 3.958 2.003 5.065 1.00 0.11 H new ATOM 0 HB VAL A 418 2.446 1.238 7.585 1.00 0.14 H new ATOM 0 HG11 VAL A 418 1.807 -0.803 6.384 1.00 0.14 H new ATOM 0 HG12 VAL A 418 1.134 0.651 5.610 1.00 0.14 H new ATOM 0 HG13 VAL A 418 2.547 -0.162 4.898 1.00 0.14 H new ATOM 0 HG21 VAL A 418 3.979 -0.704 7.508 1.00 0.17 H new ATOM 0 HG22 VAL A 418 4.751 -0.025 6.055 1.00 0.17 H new ATOM 0 HG23 VAL A 418 4.877 0.830 7.611 1.00 0.17 H new ATOM 1253 N GLY A 419 1.676 2.552 4.238 1.00 0.10 N ATOM 1254 CA GLY A 419 0.496 3.111 3.620 1.00 0.08 C ATOM 1255 C GLY A 419 0.274 2.533 2.250 1.00 0.08 C ATOM 1256 O GLY A 419 0.904 1.537 1.888 1.00 0.09 O ATOM 0 H GLY A 419 2.140 1.829 3.688 1.00 0.10 H new ATOM 0 HA2 GLY A 419 -0.374 2.913 4.246 1.00 0.08 H new ATOM 0 HA3 GLY A 419 0.598 4.194 3.549 1.00 0.08 H new ATOM 1260 N ILE A 420 -0.600 3.153 1.477 1.00 0.08 N ATOM 1261 CA ILE A 420 -0.813 2.737 0.124 1.00 0.09 C ATOM 1262 C ILE A 420 -0.094 3.706 -0.798 1.00 0.07 C ATOM 1263 O ILE A 420 -0.108 4.914 -0.560 1.00 0.08 O ATOM 1264 CB ILE A 420 -2.319 2.689 -0.209 1.00 0.10 C ATOM 1265 CG1 ILE A 420 -2.759 1.262 -0.500 1.00 0.11 C ATOM 1266 CG2 ILE A 420 -2.636 3.549 -1.394 1.00 0.12 C ATOM 1267 CD1 ILE A 420 -2.889 0.380 0.717 1.00 0.11 C ATOM 0 H ILE A 420 -1.169 3.946 1.774 1.00 0.08 H new ATOM 0 HA ILE A 420 -0.417 1.731 -0.013 1.00 0.09 H new ATOM 0 HB ILE A 420 -2.858 3.066 0.660 1.00 0.10 H new ATOM 0 HG12 ILE A 420 -3.719 1.291 -1.015 1.00 0.11 H new ATOM 0 HG13 ILE A 420 -2.043 0.808 -1.185 1.00 0.11 H new ATOM 0 HG21 ILE A 420 -3.704 3.496 -1.606 1.00 0.12 H new ATOM 0 HG22 ILE A 420 -2.359 4.581 -1.179 1.00 0.12 H new ATOM 0 HG23 ILE A 420 -2.076 3.196 -2.260 1.00 0.12 H new ATOM 0 HD11 ILE A 420 -3.207 -0.617 0.412 1.00 0.11 H new ATOM 0 HD12 ILE A 420 -1.926 0.315 1.224 1.00 0.11 H new ATOM 0 HD13 ILE A 420 -3.628 0.804 1.396 1.00 0.11 H new ATOM 1279 N HIS A 421 0.550 3.194 -1.819 1.00 0.07 N ATOM 1280 CA HIS A 421 1.217 4.060 -2.773 1.00 0.07 C ATOM 1281 C HIS A 421 1.275 3.434 -4.135 1.00 0.09 C ATOM 1282 O HIS A 421 1.068 2.238 -4.307 1.00 0.11 O ATOM 1283 CB HIS A 421 2.648 4.378 -2.366 1.00 0.09 C ATOM 1284 CG HIS A 421 3.524 3.189 -2.229 1.00 0.11 C ATOM 1285 ND1 HIS A 421 4.062 2.536 -3.303 1.00 0.12 N ATOM 1286 CD2 HIS A 421 4.010 2.584 -1.127 1.00 0.13 C ATOM 1287 CE1 HIS A 421 4.870 1.579 -2.831 1.00 0.15 C ATOM 1288 NE2 HIS A 421 4.869 1.564 -1.514 1.00 0.15 N ATOM 0 H HIS A 421 0.629 2.196 -2.013 1.00 0.07 H new ATOM 0 HA HIS A 421 0.626 4.976 -2.792 1.00 0.07 H new ATOM 0 HB2 HIS A 421 3.082 5.051 -3.105 1.00 0.09 H new ATOM 0 HB3 HIS A 421 2.632 4.914 -1.417 1.00 0.09 H new ATOM 0 HD1 HIS A 421 3.881 2.741 -4.286 1.00 0.12 H new ATOM 0 HD2 HIS A 421 3.770 2.850 -0.108 1.00 0.13 H new ATOM 0 HE1 HIS A 421 5.447 0.907 -3.449 1.00 0.15 H new ATOM 1296 N ASP A 422 1.601 4.273 -5.089 1.00 0.11 N ATOM 1297 CA ASP A 422 1.854 3.871 -6.426 1.00 0.14 C ATOM 1298 C ASP A 422 3.334 3.601 -6.553 1.00 0.19 C ATOM 1299 O ASP A 422 4.148 4.250 -5.902 1.00 0.29 O ATOM 1300 CB ASP A 422 1.436 5.002 -7.349 1.00 0.20 C ATOM 1301 CG ASP A 422 2.579 5.887 -7.766 1.00 0.31 C ATOM 1302 OD1 ASP A 422 2.961 6.774 -6.976 1.00 0.33 O1- ATOM 1303 OD2 ASP A 422 3.089 5.710 -8.886 1.00 0.42 O ATOM 0 H ASP A 422 1.697 5.277 -4.939 1.00 0.11 H new ATOM 0 HA ASP A 422 1.297 2.972 -6.691 1.00 0.14 H new ATOM 0 HB2 ASP A 422 0.969 4.581 -8.239 1.00 0.20 H new ATOM 0 HB3 ASP A 422 0.680 5.608 -6.849 1.00 0.20 H new ATOM 1308 N SER A 423 3.685 2.635 -7.345 1.00 0.15 N ATOM 1309 CA SER A 423 5.074 2.312 -7.518 1.00 0.19 C ATOM 1310 C SER A 423 5.381 2.123 -8.958 1.00 0.15 C ATOM 1311 O SER A 423 5.099 1.099 -9.581 1.00 0.16 O ATOM 1312 CB SER A 423 5.426 1.058 -6.733 1.00 0.26 C ATOM 1313 OG SER A 423 5.938 1.385 -5.463 1.00 1.48 O ATOM 0 H SER A 423 3.036 2.058 -7.880 1.00 0.15 H new ATOM 0 HA SER A 423 5.675 3.139 -7.139 1.00 0.19 H new ATOM 0 HB2 SER A 423 4.540 0.433 -6.622 1.00 0.26 H new ATOM 0 HB3 SER A 423 6.161 0.473 -7.286 1.00 0.26 H new ATOM 0 HG SER A 423 6.723 1.963 -5.566 1.00 1.48 H new ATOM 1319 N ASP A 424 5.979 3.163 -9.457 1.00 0.13 N ATOM 1320 CA ASP A 424 6.405 3.227 -10.819 1.00 0.13 C ATOM 1321 C ASP A 424 7.845 2.770 -10.936 1.00 0.12 C ATOM 1322 O ASP A 424 8.272 2.222 -11.948 1.00 0.15 O ATOM 1323 CB ASP A 424 6.195 4.639 -11.301 1.00 0.15 C ATOM 1324 CG ASP A 424 6.994 4.984 -12.544 1.00 0.25 C ATOM 1325 OD1 ASP A 424 6.530 4.678 -13.662 1.00 0.34 O ATOM 1326 OD2 ASP A 424 8.093 5.562 -12.405 1.00 0.35 O1- ATOM 0 H ASP A 424 6.187 4.004 -8.918 1.00 0.13 H new ATOM 0 HA ASP A 424 5.823 2.556 -11.451 1.00 0.13 H new ATOM 0 HB2 ASP A 424 5.135 4.789 -11.508 1.00 0.15 H new ATOM 0 HB3 ASP A 424 6.465 5.330 -10.503 1.00 0.15 H new ATOM 1331 N TRP A 425 8.584 3.024 -9.857 1.00 0.12 N ATOM 1332 CA TRP A 425 9.969 2.592 -9.721 1.00 0.14 C ATOM 1333 C TRP A 425 10.004 1.098 -9.528 1.00 0.15 C ATOM 1334 O TRP A 425 10.986 0.429 -9.837 1.00 0.18 O ATOM 1335 CB TRP A 425 10.597 3.266 -8.501 1.00 0.14 C ATOM 1336 CG TRP A 425 10.195 2.705 -7.177 1.00 0.12 C ATOM 1337 CD1 TRP A 425 10.707 1.626 -6.536 1.00 0.13 C ATOM 1338 CD2 TRP A 425 9.211 3.247 -6.324 1.00 0.12 C ATOM 1339 NE1 TRP A 425 10.110 1.479 -5.309 1.00 0.13 N ATOM 1340 CE2 TRP A 425 9.186 2.473 -5.155 1.00 0.12 C ATOM 1341 CE3 TRP A 425 8.358 4.325 -6.442 1.00 0.14 C ATOM 1342 CZ2 TRP A 425 8.330 2.760 -4.102 1.00 0.14 C ATOM 1343 CZ3 TRP A 425 7.518 4.614 -5.412 1.00 0.16 C ATOM 1344 CH2 TRP A 425 7.505 3.842 -4.248 1.00 0.15 C ATOM 0 H TRP A 425 8.234 3.539 -9.049 1.00 0.12 H new ATOM 0 HA TRP A 425 10.525 2.866 -10.618 1.00 0.14 H new ATOM 0 HB2 TRP A 425 11.681 3.200 -8.590 1.00 0.14 H new ATOM 0 HB3 TRP A 425 10.340 4.325 -8.520 1.00 0.14 H new ATOM 0 HD1 TRP A 425 11.473 0.977 -6.933 1.00 0.13 H new ATOM 0 HE1 TRP A 425 10.321 0.750 -4.627 1.00 0.13 H new ATOM 0 HE3 TRP A 425 8.357 4.929 -7.337 1.00 0.14 H new ATOM 0 HZ2 TRP A 425 8.315 2.156 -3.207 1.00 0.14 H new ATOM 0 HZ3 TRP A 425 6.848 5.457 -5.496 1.00 0.16 H new ATOM 0 HH2 TRP A 425 6.830 4.104 -3.447 1.00 0.15 H new ATOM 1355 N GLN A 426 8.917 0.610 -8.972 1.00 0.15 N ATOM 1356 CA GLN A 426 8.802 -0.769 -8.560 1.00 0.17 C ATOM 1357 C GLN A 426 7.700 -1.409 -9.333 1.00 0.18 C ATOM 1358 O GLN A 426 6.561 -1.535 -8.888 1.00 0.28 O ATOM 1359 CB GLN A 426 8.465 -0.814 -7.110 1.00 0.18 C ATOM 1360 CG GLN A 426 9.277 -1.792 -6.291 1.00 0.58 C ATOM 1361 CD GLN A 426 9.350 -3.147 -6.943 1.00 0.63 C ATOM 1362 OE1 GLN A 426 10.318 -3.463 -7.629 1.00 1.33 O ATOM 1363 NE2 GLN A 426 8.289 -3.923 -6.807 1.00 0.22 N ATOM 0 H GLN A 426 8.081 1.166 -8.792 1.00 0.15 H new ATOM 0 HA GLN A 426 9.740 -1.294 -8.740 1.00 0.17 H new ATOM 0 HB2 GLN A 426 8.597 0.184 -6.691 1.00 0.18 H new ATOM 0 HB3 GLN A 426 7.410 -1.066 -7.006 1.00 0.18 H new ATOM 0 HG2 GLN A 426 10.285 -1.401 -6.153 1.00 0.58 H new ATOM 0 HG3 GLN A 426 8.835 -1.890 -5.299 1.00 0.58 H new ATOM 0 HE21 GLN A 426 7.507 -3.620 -6.227 1.00 0.22 H new ATOM 0 HE22 GLN A 426 8.252 -4.825 -7.282 1.00 0.22 H new ATOM 1372 N PRO A 427 8.078 -1.812 -10.503 1.00 0.16 N ATOM 1373 CA PRO A 427 7.195 -2.065 -11.598 1.00 0.18 C ATOM 1374 C PRO A 427 6.480 -3.396 -11.531 1.00 0.16 C ATOM 1375 O PRO A 427 5.750 -3.760 -12.456 1.00 0.18 O ATOM 1376 CB PRO A 427 8.165 -2.030 -12.760 1.00 0.23 C ATOM 1377 CG PRO A 427 9.359 -2.653 -12.193 1.00 0.23 C ATOM 1378 CD PRO A 427 9.462 -2.027 -10.866 1.00 0.19 C ATOM 0 HA PRO A 427 6.371 -1.352 -11.643 1.00 0.18 H new ATOM 0 HB2 PRO A 427 7.788 -2.583 -13.620 1.00 0.23 H new ATOM 0 HB3 PRO A 427 8.359 -1.011 -13.096 1.00 0.23 H new ATOM 0 HG2 PRO A 427 9.254 -3.736 -12.121 1.00 0.23 H new ATOM 0 HG3 PRO A 427 10.243 -2.458 -12.801 1.00 0.23 H new ATOM 0 HD2 PRO A 427 9.971 -2.674 -10.152 1.00 0.19 H new ATOM 0 HD3 PRO A 427 10.020 -1.092 -10.903 1.00 0.19 H new ATOM 1386 N GLU A 428 6.692 -4.125 -10.451 1.00 0.14 N ATOM 1387 CA GLU A 428 6.112 -5.436 -10.325 1.00 0.14 C ATOM 1388 C GLU A 428 5.103 -5.501 -9.201 1.00 0.12 C ATOM 1389 O GLU A 428 5.157 -4.724 -8.254 1.00 0.15 O ATOM 1390 CB GLU A 428 7.183 -6.449 -10.059 1.00 0.17 C ATOM 1391 CG GLU A 428 6.896 -7.756 -10.717 1.00 0.22 C ATOM 1392 CD GLU A 428 7.265 -7.756 -12.182 1.00 0.64 C ATOM 1393 OE1 GLU A 428 6.467 -7.266 -13.003 1.00 1.10 O1- ATOM 1394 OE2 GLU A 428 8.357 -8.258 -12.517 1.00 0.98 O ATOM 0 H GLU A 428 7.259 -3.828 -9.657 1.00 0.14 H new ATOM 0 HA GLU A 428 5.604 -5.652 -11.265 1.00 0.14 H new ATOM 0 HB2 GLU A 428 8.139 -6.067 -10.416 1.00 0.17 H new ATOM 0 HB3 GLU A 428 7.280 -6.599 -8.984 1.00 0.17 H new ATOM 0 HG2 GLU A 428 7.447 -8.546 -10.206 1.00 0.22 H new ATOM 0 HG3 GLU A 428 5.836 -7.988 -10.612 1.00 0.22 H new ATOM 1401 N TYR A 429 4.208 -6.470 -9.332 1.00 0.11 N ATOM 1402 CA TYR A 429 3.040 -6.642 -8.468 1.00 0.10 C ATOM 1403 C TYR A 429 2.496 -8.028 -8.665 1.00 0.10 C ATOM 1404 O TYR A 429 2.187 -8.425 -9.789 1.00 0.14 O ATOM 1405 CB TYR A 429 1.913 -5.712 -8.856 1.00 0.13 C ATOM 1406 CG TYR A 429 2.297 -4.529 -9.696 1.00 0.16 C ATOM 1407 CD1 TYR A 429 2.686 -3.344 -9.100 1.00 0.19 C ATOM 1408 CD2 TYR A 429 2.265 -4.599 -11.077 1.00 0.23 C ATOM 1409 CE1 TYR A 429 3.041 -2.249 -9.864 1.00 0.25 C ATOM 1410 CE2 TYR A 429 2.616 -3.516 -11.851 1.00 0.29 C ATOM 1411 CZ TYR A 429 3.004 -2.342 -11.242 1.00 0.30 C ATOM 1412 OH TYR A 429 3.353 -1.259 -12.015 1.00 0.38 O ATOM 0 H TYR A 429 4.273 -7.180 -10.061 1.00 0.11 H new ATOM 0 HA TYR A 429 3.363 -6.443 -7.446 1.00 0.10 H new ATOM 0 HB2 TYR A 429 1.162 -6.288 -9.397 1.00 0.13 H new ATOM 0 HB3 TYR A 429 1.439 -5.347 -7.945 1.00 0.13 H new ATOM 0 HD1 TYR A 429 2.713 -3.273 -8.023 1.00 0.19 H new ATOM 0 HD2 TYR A 429 1.960 -5.518 -11.556 1.00 0.23 H new ATOM 0 HE1 TYR A 429 3.345 -1.328 -9.388 1.00 0.25 H new ATOM 0 HE2 TYR A 429 2.588 -3.586 -12.928 1.00 0.29 H new ATOM 0 HH TYR A 429 3.273 -1.494 -12.963 1.00 0.38 H new ATOM 1422 N GLY A 430 2.389 -8.762 -7.599 1.00 0.10 N ATOM 1423 CA GLY A 430 1.870 -10.094 -7.699 1.00 0.12 C ATOM 1424 C GLY A 430 2.501 -10.995 -6.690 1.00 0.13 C ATOM 1425 O GLY A 430 3.223 -10.503 -5.822 1.00 0.13 O ATOM 0 H GLY A 430 2.651 -8.466 -6.659 1.00 0.10 H new ATOM 0 HA2 GLY A 430 0.790 -10.079 -7.552 1.00 0.12 H new ATOM 0 HA3 GLY A 430 2.050 -10.483 -8.701 1.00 0.12 H new ATOM 1429 N GLY A 431 2.283 -12.305 -6.867 1.00 0.16 N ATOM 1430 CA GLY A 431 2.903 -13.338 -6.040 1.00 0.20 C ATOM 1431 C GLY A 431 4.269 -12.947 -5.526 1.00 0.17 C ATOM 1432 O GLY A 431 5.000 -12.244 -6.221 1.00 0.16 O ATOM 0 H GLY A 431 1.668 -12.675 -7.592 1.00 0.16 H new ATOM 0 HA2 GLY A 431 2.252 -13.556 -5.193 1.00 0.20 H new ATOM 0 HA3 GLY A 431 2.989 -14.256 -6.621 1.00 0.20 H new ATOM 1436 N ASP A 432 4.678 -13.525 -4.396 1.00 0.18 N ATOM 1437 CA ASP A 432 5.625 -12.872 -3.508 1.00 0.18 C ATOM 1438 C ASP A 432 6.845 -12.415 -4.232 1.00 0.18 C ATOM 1439 O ASP A 432 7.779 -13.155 -4.538 1.00 0.19 O ATOM 1440 CB ASP A 432 6.098 -13.834 -2.423 1.00 0.22 C ATOM 1441 CG ASP A 432 5.002 -14.673 -1.811 1.00 0.25 C ATOM 1442 OD1 ASP A 432 4.593 -15.660 -2.446 1.00 0.29 O ATOM 1443 OD2 ASP A 432 4.529 -14.339 -0.704 1.00 0.33 O1- ATOM 0 H ASP A 432 4.366 -14.443 -4.079 1.00 0.18 H new ATOM 0 HA ASP A 432 5.098 -12.018 -3.082 1.00 0.18 H new ATOM 0 HB2 ASP A 432 6.853 -14.497 -2.846 1.00 0.22 H new ATOM 0 HB3 ASP A 432 6.584 -13.261 -1.633 1.00 0.22 H new ATOM 1448 N LEU A 433 6.764 -11.141 -4.478 1.00 0.16 N ATOM 1449 CA LEU A 433 7.800 -10.350 -5.026 1.00 0.15 C ATOM 1450 C LEU A 433 8.504 -9.665 -3.902 1.00 0.14 C ATOM 1451 O LEU A 433 9.694 -9.404 -3.982 1.00 0.15 O ATOM 1452 CB LEU A 433 7.129 -9.381 -5.953 1.00 0.14 C ATOM 1453 CG LEU A 433 6.671 -10.013 -7.250 1.00 0.15 C ATOM 1454 CD1 LEU A 433 5.721 -9.090 -7.974 1.00 0.13 C ATOM 1455 CD2 LEU A 433 7.873 -10.364 -8.102 1.00 0.18 C ATOM 0 H LEU A 433 5.918 -10.604 -4.286 1.00 0.16 H new ATOM 0 HA LEU A 433 8.546 -10.924 -5.576 1.00 0.15 H new ATOM 0 HB2 LEU A 433 6.269 -8.941 -5.448 1.00 0.14 H new ATOM 0 HB3 LEU A 433 7.818 -8.567 -6.177 1.00 0.14 H new ATOM 0 HG LEU A 433 6.131 -10.935 -7.036 1.00 0.15 H new ATOM 0 HD11 LEU A 433 5.399 -9.557 -8.905 1.00 0.13 H new ATOM 0 HD12 LEU A 433 4.852 -8.897 -7.346 1.00 0.13 H new ATOM 0 HD13 LEU A 433 6.225 -8.149 -8.195 1.00 0.13 H new ATOM 0 HD21 LEU A 433 7.538 -10.819 -9.034 1.00 0.18 H new ATOM 0 HD22 LEU A 433 8.439 -9.459 -8.322 1.00 0.18 H new ATOM 0 HD23 LEU A 433 8.508 -11.067 -7.563 1.00 0.18 H new ATOM 1467 N TRP A 434 7.753 -9.357 -2.860 1.00 0.14 N ATOM 1468 CA TRP A 434 8.257 -8.557 -1.760 1.00 0.14 C ATOM 1469 C TRP A 434 9.625 -9.032 -1.305 1.00 0.17 C ATOM 1470 O TRP A 434 10.517 -8.225 -1.049 1.00 0.22 O ATOM 1471 CB TRP A 434 7.247 -8.512 -0.606 1.00 0.15 C ATOM 1472 CG TRP A 434 6.665 -9.839 -0.194 1.00 0.16 C ATOM 1473 CD1 TRP A 434 5.790 -10.612 -0.899 1.00 0.17 C ATOM 1474 CD2 TRP A 434 6.865 -10.510 1.057 1.00 0.16 C ATOM 1475 NE1 TRP A 434 5.493 -11.753 -0.185 1.00 0.18 N ATOM 1476 CE2 TRP A 434 6.131 -11.701 1.021 1.00 0.18 C ATOM 1477 CE3 TRP A 434 7.608 -10.228 2.195 1.00 0.17 C ATOM 1478 CZ2 TRP A 434 6.124 -12.601 2.081 1.00 0.19 C ATOM 1479 CZ3 TRP A 434 7.598 -11.111 3.250 1.00 0.19 C ATOM 1480 CH2 TRP A 434 6.862 -12.288 3.187 1.00 0.19 C ATOM 0 H TRP A 434 6.783 -9.653 -2.753 1.00 0.14 H new ATOM 0 HA TRP A 434 8.385 -7.536 -2.119 1.00 0.14 H new ATOM 0 HB2 TRP A 434 7.734 -8.065 0.261 1.00 0.15 H new ATOM 0 HB3 TRP A 434 6.429 -7.850 -0.889 1.00 0.15 H new ATOM 0 HD1 TRP A 434 5.390 -10.367 -1.872 1.00 0.17 H new ATOM 0 HE1 TRP A 434 4.893 -12.513 -0.506 1.00 0.18 H new ATOM 0 HE3 TRP A 434 8.191 -9.320 2.252 1.00 0.17 H new ATOM 0 HZ2 TRP A 434 5.554 -13.517 2.031 1.00 0.19 H new ATOM 0 HZ3 TRP A 434 8.169 -10.887 4.138 1.00 0.19 H new ATOM 0 HH2 TRP A 434 6.874 -12.967 4.027 1.00 0.19 H new ATOM 1491 N LYS A 435 9.801 -10.346 -1.324 1.00 0.17 N ATOM 1492 CA LYS A 435 11.009 -10.981 -0.854 1.00 0.19 C ATOM 1493 C LYS A 435 12.236 -10.559 -1.617 1.00 0.20 C ATOM 1494 O LYS A 435 13.356 -10.648 -1.114 1.00 0.22 O ATOM 1495 CB LYS A 435 10.846 -12.451 -0.981 1.00 0.20 C ATOM 1496 CG LYS A 435 9.813 -12.942 -0.043 1.00 0.22 C ATOM 1497 CD LYS A 435 9.758 -14.420 -0.069 1.00 0.26 C ATOM 1498 CE LYS A 435 8.585 -14.871 0.717 1.00 0.35 C ATOM 1499 NZ LYS A 435 8.961 -15.790 1.822 1.00 0.64 N1+ ATOM 0 H LYS A 435 9.099 -11.000 -1.670 1.00 0.17 H new ATOM 0 HA LYS A 435 11.157 -10.676 0.182 1.00 0.19 H new ATOM 0 HB2 LYS A 435 10.567 -12.705 -2.004 1.00 0.20 H new ATOM 0 HB3 LYS A 435 11.795 -12.947 -0.778 1.00 0.20 H new ATOM 0 HG2 LYS A 435 10.035 -12.597 0.967 1.00 0.22 H new ATOM 0 HG3 LYS A 435 8.841 -12.530 -0.314 1.00 0.22 H new ATOM 0 HD2 LYS A 435 9.683 -14.776 -1.096 1.00 0.26 H new ATOM 0 HD3 LYS A 435 10.674 -14.839 0.347 1.00 0.26 H new ATOM 0 HE2 LYS A 435 8.072 -14.002 1.130 1.00 0.35 H new ATOM 0 HE3 LYS A 435 7.879 -15.373 0.055 1.00 0.35 H new ATOM 0 HZ1 LYS A 435 8.107 -16.077 2.341 1.00 0.64 H new ATOM 0 HZ2 LYS A 435 9.427 -16.633 1.429 1.00 0.64 H new ATOM 0 HZ3 LYS A 435 9.613 -15.305 2.470 1.00 0.64 H new ATOM 1513 N THR A 436 12.026 -10.125 -2.828 1.00 0.19 N ATOM 1514 CA THR A 436 13.120 -9.734 -3.671 1.00 0.21 C ATOM 1515 C THR A 436 13.061 -8.243 -3.951 1.00 0.19 C ATOM 1516 O THR A 436 14.082 -7.557 -4.023 1.00 0.23 O ATOM 1517 CB THR A 436 13.066 -10.517 -4.991 1.00 0.22 C ATOM 1518 OG1 THR A 436 11.919 -10.128 -5.755 1.00 0.21 O ATOM 1519 CG2 THR A 436 12.980 -11.998 -4.697 1.00 0.25 C ATOM 0 H THR A 436 11.104 -10.033 -3.254 1.00 0.19 H new ATOM 0 HA THR A 436 14.056 -9.958 -3.160 1.00 0.21 H new ATOM 0 HB THR A 436 13.969 -10.300 -5.562 1.00 0.22 H new ATOM 0 HG1 THR A 436 11.172 -9.938 -5.150 1.00 0.21 H new ATOM 0 HG21 THR A 436 12.942 -12.553 -5.634 1.00 0.25 H new ATOM 0 HG22 THR A 436 13.856 -12.307 -4.127 1.00 0.25 H new ATOM 0 HG23 THR A 436 12.080 -12.202 -4.117 1.00 0.25 H new ATOM 1527 N ARG A 437 11.838 -7.752 -4.065 1.00 0.16 N ATOM 1528 CA ARG A 437 11.587 -6.406 -4.543 1.00 0.15 C ATOM 1529 C ARG A 437 11.662 -5.373 -3.434 1.00 0.17 C ATOM 1530 O ARG A 437 11.752 -4.171 -3.687 1.00 0.20 O ATOM 1531 CB ARG A 437 10.238 -6.392 -5.203 1.00 0.14 C ATOM 1532 CG ARG A 437 10.107 -7.456 -6.245 1.00 0.15 C ATOM 1533 CD ARG A 437 9.338 -6.970 -7.444 1.00 0.17 C ATOM 1534 NE ARG A 437 10.099 -5.983 -8.201 1.00 0.23 N ATOM 1535 CZ ARG A 437 10.565 -6.165 -9.438 1.00 0.30 C ATOM 1536 NH1 ARG A 437 10.379 -7.316 -10.074 1.00 0.34 N1+ ATOM 1537 NH2 ARG A 437 11.247 -5.193 -10.026 1.00 0.36 N ATOM 0 H ARG A 437 10.995 -8.275 -3.829 1.00 0.16 H new ATOM 0 HA ARG A 437 12.364 -6.132 -5.257 1.00 0.15 H new ATOM 0 HB2 ARG A 437 9.464 -6.529 -4.447 1.00 0.14 H new ATOM 0 HB3 ARG A 437 10.069 -5.417 -5.659 1.00 0.14 H new ATOM 0 HG2 ARG A 437 11.099 -7.784 -6.557 1.00 0.15 H new ATOM 0 HG3 ARG A 437 9.604 -8.324 -5.818 1.00 0.15 H new ATOM 0 HD2 ARG A 437 9.093 -7.815 -8.088 1.00 0.17 H new ATOM 0 HD3 ARG A 437 8.394 -6.533 -7.120 1.00 0.17 H new ATOM 0 HE ARG A 437 10.289 -5.087 -7.752 1.00 0.23 H new ATOM 0 HH11 ARG A 437 9.874 -8.075 -9.617 1.00 0.34 H new ATOM 0 HH12 ARG A 437 10.741 -7.441 -11.019 1.00 0.34 H new ATOM 0 HH21 ARG A 437 11.412 -4.315 -9.533 1.00 0.36 H new ATOM 0 HH22 ARG A 437 11.607 -5.323 -10.971 1.00 0.36 H new ATOM 1551 N GLY A 438 11.621 -5.854 -2.211 1.00 0.16 N ATOM 1552 CA GLY A 438 12.119 -5.069 -1.092 1.00 0.17 C ATOM 1553 C GLY A 438 11.244 -3.904 -0.643 1.00 0.17 C ATOM 1554 O GLY A 438 11.769 -2.836 -0.336 1.00 0.21 O ATOM 0 H GLY A 438 11.254 -6.773 -1.963 1.00 0.16 H new ATOM 0 HA2 GLY A 438 12.262 -5.737 -0.242 1.00 0.17 H new ATOM 0 HA3 GLY A 438 13.101 -4.677 -1.359 1.00 0.17 H new ATOM 1558 N SER A 439 9.932 -4.087 -0.577 1.00 0.15 N ATOM 1559 CA SER A 439 9.053 -3.041 -0.056 1.00 0.16 C ATOM 1560 C SER A 439 8.980 -3.157 1.467 1.00 0.14 C ATOM 1561 O SER A 439 8.726 -4.219 1.986 1.00 0.20 O ATOM 1562 CB SER A 439 7.667 -3.219 -0.661 1.00 0.22 C ATOM 1563 OG SER A 439 7.766 -3.445 -2.055 1.00 0.47 O ATOM 0 H SER A 439 9.454 -4.938 -0.873 1.00 0.15 H new ATOM 0 HA SER A 439 9.440 -2.056 -0.319 1.00 0.16 H new ATOM 0 HB2 SER A 439 7.160 -4.058 -0.185 1.00 0.22 H new ATOM 0 HB3 SER A 439 7.063 -2.332 -0.471 1.00 0.22 H new ATOM 0 HG SER A 439 8.340 -2.760 -2.457 1.00 0.47 H new ATOM 1569 N HIS A 440 9.177 -2.067 2.185 1.00 0.14 N ATOM 1570 CA HIS A 440 9.388 -2.138 3.631 1.00 0.16 C ATOM 1571 C HIS A 440 8.121 -1.778 4.376 1.00 0.16 C ATOM 1572 O HIS A 440 8.046 -0.738 5.028 1.00 0.21 O ATOM 1573 CB HIS A 440 10.510 -1.198 4.077 1.00 0.22 C ATOM 1574 CG HIS A 440 11.825 -1.455 3.442 1.00 0.26 C ATOM 1575 ND1 HIS A 440 12.115 -1.074 2.161 1.00 0.33 N ATOM 1576 CD2 HIS A 440 12.951 -2.021 3.934 1.00 0.30 C ATOM 1577 CE1 HIS A 440 13.356 -1.387 1.889 1.00 0.41 C ATOM 1578 NE2 HIS A 440 13.890 -1.964 2.943 1.00 0.38 N ATOM 0 H HIS A 440 9.197 -1.123 1.799 1.00 0.14 H new ATOM 0 HA HIS A 440 9.671 -3.165 3.864 1.00 0.16 H new ATOM 0 HB2 HIS A 440 10.212 -0.172 3.861 1.00 0.22 H new ATOM 0 HB3 HIS A 440 10.623 -1.277 5.158 1.00 0.22 H new ATOM 0 HD2 HIS A 440 13.083 -2.438 4.921 1.00 0.30 H new ATOM 0 HE1 HIS A 440 13.860 -1.202 0.952 1.00 0.41 H new ATOM 0 HE2 HIS A 440 14.847 -2.311 3.010 1.00 0.38 H new ATOM 1587 N GLY A 441 7.127 -2.645 4.268 1.00 0.15 N ATOM 1588 CA GLY A 441 5.855 -2.396 4.894 1.00 0.16 C ATOM 1589 C GLY A 441 4.939 -1.669 3.947 1.00 0.15 C ATOM 1590 O GLY A 441 3.738 -1.605 4.149 1.00 0.18 O ATOM 0 H GLY A 441 7.184 -3.523 3.752 1.00 0.15 H new ATOM 0 HA2 GLY A 441 5.401 -3.339 5.198 1.00 0.16 H new ATOM 0 HA3 GLY A 441 5.997 -1.805 5.799 1.00 0.16 H new ATOM 1594 N CYS A 442 5.520 -1.150 2.892 1.00 0.14 N ATOM 1595 CA CYS A 442 4.780 -0.388 1.917 1.00 0.16 C ATOM 1596 C CYS A 442 4.240 -1.298 0.823 1.00 0.18 C ATOM 1597 O CYS A 442 4.841 -2.327 0.505 1.00 0.28 O ATOM 1598 CB CYS A 442 5.662 0.711 1.342 1.00 0.20 C ATOM 1599 SG CYS A 442 7.204 0.111 0.611 1.00 0.83 S ATOM 0 H CYS A 442 6.515 -1.244 2.686 1.00 0.14 H new ATOM 0 HA CYS A 442 3.925 0.081 2.404 1.00 0.16 H new ATOM 0 HB2 CYS A 442 5.099 1.254 0.583 1.00 0.20 H new ATOM 0 HB3 CYS A 442 5.900 1.423 2.133 1.00 0.20 H new ATOM 0 HG CYS A 442 7.885 1.117 0.147 1.00 0.83 H new ATOM 1605 N ILE A 443 3.091 -0.938 0.279 1.00 0.13 N ATOM 1606 CA ILE A 443 2.425 -1.741 -0.720 1.00 0.12 C ATOM 1607 C ILE A 443 2.603 -1.132 -2.103 1.00 0.12 C ATOM 1608 O ILE A 443 2.200 0.005 -2.345 1.00 0.15 O ATOM 1609 CB ILE A 443 0.926 -1.877 -0.376 1.00 0.11 C ATOM 1610 CG1 ILE A 443 0.726 -2.885 0.764 1.00 0.10 C ATOM 1611 CG2 ILE A 443 0.120 -2.292 -1.600 1.00 0.10 C ATOM 1612 CD1 ILE A 443 1.464 -2.576 2.044 1.00 0.10 C ATOM 0 H ILE A 443 2.596 -0.079 0.521 1.00 0.13 H new ATOM 0 HA ILE A 443 2.874 -2.734 -0.726 1.00 0.12 H new ATOM 0 HB ILE A 443 0.565 -0.902 -0.047 1.00 0.11 H new ATOM 0 HG12 ILE A 443 -0.339 -2.949 0.986 1.00 0.10 H new ATOM 0 HG13 ILE A 443 1.038 -3.869 0.414 1.00 0.10 H new ATOM 0 HG21 ILE A 443 -0.932 -2.381 -1.330 1.00 0.10 H new ATOM 0 HG22 ILE A 443 0.232 -1.540 -2.381 1.00 0.10 H new ATOM 0 HG23 ILE A 443 0.483 -3.253 -1.966 1.00 0.10 H new ATOM 0 HD11 ILE A 443 1.253 -3.350 2.782 1.00 0.10 H new ATOM 0 HD12 ILE A 443 2.536 -2.544 1.848 1.00 0.10 H new ATOM 0 HD13 ILE A 443 1.137 -1.610 2.428 1.00 0.10 H new ATOM 1624 N ASN A 444 3.230 -1.877 -3.001 1.00 0.14 N ATOM 1625 CA ASN A 444 3.468 -1.372 -4.351 1.00 0.16 C ATOM 1626 C ASN A 444 2.218 -1.485 -5.208 1.00 0.11 C ATOM 1627 O ASN A 444 2.014 -2.494 -5.883 1.00 0.12 O ATOM 1628 CB ASN A 444 4.623 -2.089 -5.071 1.00 0.30 C ATOM 1629 CG ASN A 444 5.926 -2.135 -4.292 1.00 0.88 C ATOM 1630 OD1 ASN A 444 6.766 -2.998 -4.538 1.00 1.56 O ATOM 1631 ND2 ASN A 444 6.097 -1.245 -3.329 1.00 1.77 N ATOM 0 H ASN A 444 3.580 -2.819 -2.827 1.00 0.14 H new ATOM 0 HA ASN A 444 3.745 -0.326 -4.224 1.00 0.16 H new ATOM 0 HB2 ASN A 444 4.314 -3.110 -5.297 1.00 0.30 H new ATOM 0 HB3 ASN A 444 4.803 -1.592 -6.024 1.00 0.30 H new ATOM 0 HD21 ASN A 444 6.946 -1.262 -2.764 1.00 1.77 H new ATOM 0 HD22 ASN A 444 5.380 -0.542 -3.151 1.00 1.77 H new ATOM 1638 N THR A 445 1.385 -0.460 -5.183 1.00 0.11 N ATOM 1639 CA THR A 445 0.238 -0.396 -6.051 1.00 0.10 C ATOM 1640 C THR A 445 0.647 0.222 -7.370 1.00 0.11 C ATOM 1641 O THR A 445 1.403 1.187 -7.417 1.00 0.14 O ATOM 1642 CB THR A 445 -0.874 0.422 -5.381 1.00 0.11 C ATOM 1643 OG1 THR A 445 -1.144 -0.136 -4.094 1.00 0.18 O ATOM 1644 CG2 THR A 445 -2.134 0.435 -6.223 1.00 0.14 C ATOM 0 H THR A 445 1.489 0.343 -4.563 1.00 0.11 H new ATOM 0 HA THR A 445 -0.145 -1.399 -6.238 1.00 0.10 H new ATOM 0 HB THR A 445 -0.540 1.455 -5.278 1.00 0.11 H new ATOM 0 HG1 THR A 445 -2.089 -0.003 -3.872 1.00 0.18 H new ATOM 0 HG21 THR A 445 -2.902 1.023 -5.720 1.00 0.14 H new ATOM 0 HG22 THR A 445 -1.917 0.877 -7.195 1.00 0.14 H new ATOM 0 HG23 THR A 445 -2.490 -0.586 -6.360 1.00 0.14 H new ATOM 1652 N PRO A 446 0.191 -0.374 -8.462 1.00 0.09 N ATOM 1653 CA PRO A 446 0.506 0.090 -9.796 1.00 0.08 C ATOM 1654 C PRO A 446 0.123 1.537 -9.980 1.00 0.09 C ATOM 1655 O PRO A 446 -0.963 1.943 -9.600 1.00 0.12 O ATOM 1656 CB PRO A 446 -0.337 -0.786 -10.691 1.00 0.09 C ATOM 1657 CG PRO A 446 -0.595 -2.005 -9.886 1.00 0.10 C ATOM 1658 CD PRO A 446 -0.672 -1.549 -8.476 1.00 0.09 C ATOM 0 HA PRO A 446 1.573 0.029 -10.010 1.00 0.08 H new ATOM 0 HB2 PRO A 446 -1.267 -0.290 -10.969 1.00 0.09 H new ATOM 0 HB3 PRO A 446 0.185 -1.026 -11.617 1.00 0.09 H new ATOM 0 HG2 PRO A 446 -1.523 -2.487 -10.192 1.00 0.10 H new ATOM 0 HG3 PRO A 446 0.202 -2.737 -10.018 1.00 0.10 H new ATOM 0 HD2 PRO A 446 -1.694 -1.302 -8.187 1.00 0.09 H new ATOM 0 HD3 PRO A 446 -0.321 -2.315 -7.785 1.00 0.09 H new ATOM 1666 N PRO A 447 1.006 2.317 -10.587 1.00 0.09 N ATOM 1667 CA PRO A 447 0.867 3.774 -10.722 1.00 0.09 C ATOM 1668 C PRO A 447 -0.429 4.183 -11.363 1.00 0.09 C ATOM 1669 O PRO A 447 -1.019 5.212 -11.025 1.00 0.16 O ATOM 1670 CB PRO A 447 2.035 4.098 -11.637 1.00 0.10 C ATOM 1671 CG PRO A 447 3.036 3.120 -11.185 1.00 0.10 C ATOM 1672 CD PRO A 447 2.243 1.856 -11.226 1.00 0.09 C ATOM 0 HA PRO A 447 0.866 4.292 -9.763 1.00 0.09 H new ATOM 0 HB2 PRO A 447 1.781 3.969 -12.689 1.00 0.10 H new ATOM 0 HB3 PRO A 447 2.380 5.125 -11.516 1.00 0.10 H new ATOM 0 HG2 PRO A 447 3.903 3.084 -11.844 1.00 0.10 H new ATOM 0 HG3 PRO A 447 3.406 3.342 -10.184 1.00 0.10 H new ATOM 0 HD2 PRO A 447 2.080 1.498 -12.243 1.00 0.09 H new ATOM 0 HD3 PRO A 447 2.720 1.045 -10.676 1.00 0.09 H new ATOM 1680 N SER A 448 -0.875 3.357 -12.273 1.00 0.08 N ATOM 1681 CA SER A 448 -2.086 3.624 -12.984 1.00 0.09 C ATOM 1682 C SER A 448 -3.286 3.260 -12.125 1.00 0.09 C ATOM 1683 O SER A 448 -4.289 3.968 -12.102 1.00 0.11 O ATOM 1684 CB SER A 448 -2.120 2.850 -14.290 1.00 0.11 C ATOM 1685 OG SER A 448 -1.072 3.264 -15.151 1.00 1.17 O ATOM 0 H SER A 448 -0.410 2.489 -12.537 1.00 0.08 H new ATOM 0 HA SER A 448 -2.126 4.689 -13.214 1.00 0.09 H new ATOM 0 HB2 SER A 448 -2.029 1.783 -14.087 1.00 0.11 H new ATOM 0 HB3 SER A 448 -3.081 3.001 -14.782 1.00 0.11 H new ATOM 0 HG SER A 448 -1.112 2.751 -15.985 1.00 1.17 H new ATOM 1691 N VAL A 449 -3.159 2.159 -11.398 1.00 0.08 N ATOM 1692 CA VAL A 449 -4.235 1.682 -10.546 1.00 0.09 C ATOM 1693 C VAL A 449 -4.302 2.470 -9.238 1.00 0.10 C ATOM 1694 O VAL A 449 -5.366 2.652 -8.656 1.00 0.11 O ATOM 1695 CB VAL A 449 -4.060 0.194 -10.237 1.00 0.11 C ATOM 1696 CG1 VAL A 449 -5.167 -0.284 -9.314 1.00 0.17 C ATOM 1697 CG2 VAL A 449 -4.039 -0.619 -11.521 1.00 0.10 C ATOM 0 H VAL A 449 -2.320 1.580 -11.382 1.00 0.08 H new ATOM 0 HA VAL A 449 -5.169 1.830 -11.089 1.00 0.09 H new ATOM 0 HB VAL A 449 -3.105 0.052 -9.732 1.00 0.11 H new ATOM 0 HG11 VAL A 449 -5.031 -1.344 -9.102 1.00 0.17 H new ATOM 0 HG12 VAL A 449 -5.132 0.280 -8.382 1.00 0.17 H new ATOM 0 HG13 VAL A 449 -6.133 -0.131 -9.795 1.00 0.17 H new ATOM 0 HG21 VAL A 449 -3.914 -1.675 -11.281 1.00 0.10 H new ATOM 0 HG22 VAL A 449 -4.978 -0.477 -12.057 1.00 0.10 H new ATOM 0 HG23 VAL A 449 -3.210 -0.289 -12.147 1.00 0.10 H new ATOM 1707 N MET A 450 -3.161 2.945 -8.782 1.00 0.10 N ATOM 1708 CA MET A 450 -3.076 3.736 -7.584 1.00 0.11 C ATOM 1709 C MET A 450 -3.756 5.082 -7.790 1.00 0.10 C ATOM 1710 O MET A 450 -4.094 5.775 -6.857 1.00 0.14 O ATOM 1711 CB MET A 450 -1.610 3.893 -7.272 1.00 0.13 C ATOM 1712 CG MET A 450 -1.357 4.592 -5.989 1.00 0.13 C ATOM 1713 SD MET A 450 -2.451 4.055 -4.687 1.00 0.46 S ATOM 1714 CE MET A 450 -2.470 5.561 -3.744 1.00 0.10 C ATOM 0 H MET A 450 -2.263 2.789 -9.240 1.00 0.10 H new ATOM 0 HA MET A 450 -3.587 3.256 -6.750 1.00 0.11 H new ATOM 0 HB2 MET A 450 -1.145 2.908 -7.239 1.00 0.13 H new ATOM 0 HB3 MET A 450 -1.130 4.446 -8.080 1.00 0.13 H new ATOM 0 HG2 MET A 450 -0.324 4.421 -5.684 1.00 0.13 H new ATOM 0 HG3 MET A 450 -1.473 5.666 -6.136 1.00 0.13 H new ATOM 0 HE1 MET A 450 -3.406 5.632 -3.190 1.00 0.10 H new ATOM 0 HE2 MET A 450 -1.634 5.563 -3.045 1.00 0.10 H new ATOM 0 HE3 MET A 450 -2.381 6.413 -4.418 1.00 0.10 H new ATOM 1724 N LYS A 451 -3.922 5.424 -9.053 1.00 0.11 N ATOM 1725 CA LYS A 451 -4.605 6.626 -9.492 1.00 0.11 C ATOM 1726 C LYS A 451 -6.094 6.439 -9.452 1.00 0.10 C ATOM 1727 O LYS A 451 -6.875 7.387 -9.406 1.00 0.14 O ATOM 1728 CB LYS A 451 -4.156 6.843 -10.909 1.00 0.14 C ATOM 1729 CG LYS A 451 -4.370 8.231 -11.408 1.00 0.22 C ATOM 1730 CD LYS A 451 -3.284 8.669 -12.352 1.00 0.68 C ATOM 1731 CE LYS A 451 -2.832 7.519 -13.190 1.00 0.63 C ATOM 1732 NZ LYS A 451 -2.417 7.929 -14.557 1.00 0.81 N1+ ATOM 0 H LYS A 451 -3.575 4.856 -9.826 1.00 0.11 H new ATOM 0 HA LYS A 451 -4.372 7.474 -8.848 1.00 0.11 H new ATOM 0 HB2 LYS A 451 -3.096 6.600 -10.984 1.00 0.14 H new ATOM 0 HB3 LYS A 451 -4.689 6.148 -11.558 1.00 0.14 H new ATOM 0 HG2 LYS A 451 -5.334 8.289 -11.914 1.00 0.22 H new ATOM 0 HG3 LYS A 451 -4.412 8.917 -10.562 1.00 0.22 H new ATOM 0 HD2 LYS A 451 -3.650 9.472 -12.991 1.00 0.68 H new ATOM 0 HD3 LYS A 451 -2.442 9.070 -11.788 1.00 0.68 H new ATOM 0 HE2 LYS A 451 -1.997 7.022 -12.696 1.00 0.63 H new ATOM 0 HE3 LYS A 451 -3.639 6.790 -13.264 1.00 0.63 H new ATOM 0 HZ1 LYS A 451 -2.113 7.091 -15.093 1.00 0.81 H new ATOM 0 HZ2 LYS A 451 -3.219 8.379 -15.043 1.00 0.81 H new ATOM 0 HZ3 LYS A 451 -1.628 8.604 -14.493 1.00 0.81 H new ATOM 1746 N GLU A 452 -6.451 5.183 -9.509 1.00 0.09 N ATOM 1747 CA GLU A 452 -7.808 4.742 -9.438 1.00 0.08 C ATOM 1748 C GLU A 452 -8.193 4.731 -8.012 1.00 0.07 C ATOM 1749 O GLU A 452 -9.252 5.184 -7.613 1.00 0.08 O ATOM 1750 CB GLU A 452 -7.877 3.337 -9.983 1.00 0.08 C ATOM 1751 CG GLU A 452 -7.239 3.191 -11.329 1.00 0.09 C ATOM 1752 CD GLU A 452 -8.126 3.643 -12.468 1.00 0.13 C ATOM 1753 OE1 GLU A 452 -8.083 4.838 -12.823 1.00 0.31 O1- ATOM 1754 OE2 GLU A 452 -8.869 2.803 -13.014 1.00 0.38 O ATOM 0 H GLU A 452 -5.781 4.420 -9.609 1.00 0.09 H new ATOM 0 HA GLU A 452 -8.471 5.391 -10.009 1.00 0.08 H new ATOM 0 HB2 GLU A 452 -7.390 2.659 -9.282 1.00 0.08 H new ATOM 0 HB3 GLU A 452 -8.921 3.031 -10.049 1.00 0.08 H new ATOM 0 HG2 GLU A 452 -6.314 3.767 -11.348 1.00 0.09 H new ATOM 0 HG3 GLU A 452 -6.967 2.147 -11.483 1.00 0.09 H new ATOM 1761 N LEU A 453 -7.289 4.159 -7.269 1.00 0.06 N ATOM 1762 CA LEU A 453 -7.357 4.104 -5.867 1.00 0.05 C ATOM 1763 C LEU A 453 -7.273 5.461 -5.237 1.00 0.05 C ATOM 1764 O LEU A 453 -8.206 5.900 -4.619 1.00 0.05 O ATOM 1765 CB LEU A 453 -6.204 3.336 -5.342 1.00 0.05 C ATOM 1766 CG LEU A 453 -6.322 2.990 -3.899 1.00 0.05 C ATOM 1767 CD1 LEU A 453 -7.497 2.079 -3.698 1.00 0.06 C ATOM 1768 CD2 LEU A 453 -5.046 2.363 -3.414 1.00 0.06 C ATOM 0 H LEU A 453 -6.460 3.706 -7.654 1.00 0.06 H new ATOM 0 HA LEU A 453 -8.314 3.642 -5.625 1.00 0.05 H new ATOM 0 HB2 LEU A 453 -6.098 2.417 -5.919 1.00 0.05 H new ATOM 0 HB3 LEU A 453 -5.293 3.915 -5.494 1.00 0.05 H new ATOM 0 HG LEU A 453 -6.488 3.894 -3.314 1.00 0.05 H new ATOM 0 HD11 LEU A 453 -7.584 1.825 -2.642 1.00 0.06 H new ATOM 0 HD12 LEU A 453 -8.407 2.581 -4.027 1.00 0.06 H new ATOM 0 HD13 LEU A 453 -7.355 1.168 -4.279 1.00 0.06 H new ATOM 0 HD21 LEU A 453 -5.142 2.113 -2.357 1.00 0.06 H new ATOM 0 HD22 LEU A 453 -4.847 1.456 -3.985 1.00 0.06 H new ATOM 0 HD23 LEU A 453 -4.222 3.064 -3.548 1.00 0.06 H new ATOM 1780 N PHE A 454 -6.133 6.117 -5.355 1.00 0.07 N ATOM 1781 CA PHE A 454 -6.001 7.466 -4.839 1.00 0.08 C ATOM 1782 C PHE A 454 -7.171 8.293 -5.360 1.00 0.09 C ATOM 1783 O PHE A 454 -7.597 9.296 -4.781 1.00 0.10 O ATOM 1784 CB PHE A 454 -4.691 8.116 -5.281 1.00 0.13 C ATOM 1785 CG PHE A 454 -4.331 9.332 -4.475 1.00 0.17 C ATOM 1786 CD1 PHE A 454 -3.705 9.215 -3.246 1.00 0.19 C ATOM 1787 CD2 PHE A 454 -4.613 10.596 -4.960 1.00 0.25 C ATOM 1788 CE1 PHE A 454 -3.370 10.338 -2.515 1.00 0.25 C ATOM 1789 CE2 PHE A 454 -4.281 11.723 -4.239 1.00 0.31 C ATOM 1790 CZ PHE A 454 -3.674 11.563 -2.959 1.00 0.29 C ATOM 0 H PHE A 454 -5.294 5.743 -5.798 1.00 0.07 H new ATOM 0 HA PHE A 454 -6.000 7.424 -3.750 1.00 0.08 H new ATOM 0 HB2 PHE A 454 -3.886 7.385 -5.203 1.00 0.13 H new ATOM 0 HB3 PHE A 454 -4.768 8.395 -6.332 1.00 0.13 H new ATOM 0 HD1 PHE A 454 -3.476 8.235 -2.854 1.00 0.19 H new ATOM 0 HD2 PHE A 454 -5.101 10.702 -5.918 1.00 0.25 H new ATOM 0 HE1 PHE A 454 -2.856 10.226 -1.572 1.00 0.25 H new ATOM 0 HE2 PHE A 454 -4.477 12.708 -4.636 1.00 0.31 H new ATOM 0 HZ PHE A 454 -3.460 12.428 -2.349 1.00 0.29 H new ATOM 1800 N GLY A 455 -7.669 7.811 -6.497 1.00 0.09 N ATOM 1801 CA GLY A 455 -8.778 8.407 -7.173 1.00 0.11 C ATOM 1802 C GLY A 455 -10.102 8.167 -6.449 1.00 0.10 C ATOM 1803 O GLY A 455 -11.029 8.964 -6.577 1.00 0.13 O ATOM 0 H GLY A 455 -7.297 6.985 -6.966 1.00 0.09 H new ATOM 0 HA2 GLY A 455 -8.608 9.480 -7.267 1.00 0.11 H new ATOM 0 HA3 GLY A 455 -8.842 8.005 -8.184 1.00 0.11 H new ATOM 1807 N MET A 456 -10.196 7.044 -5.718 1.00 0.08 N ATOM 1808 CA MET A 456 -11.337 6.766 -4.839 1.00 0.09 C ATOM 1809 C MET A 456 -11.083 7.252 -3.421 1.00 0.10 C ATOM 1810 O MET A 456 -11.914 7.920 -2.806 1.00 0.13 O ATOM 1811 CB MET A 456 -11.620 5.261 -4.768 1.00 0.08 C ATOM 1812 CG MET A 456 -10.444 4.383 -5.041 1.00 0.06 C ATOM 1813 SD MET A 456 -10.887 2.727 -5.559 1.00 0.06 S ATOM 1814 CE MET A 456 -11.585 3.076 -7.146 1.00 0.07 C ATOM 0 H MET A 456 -9.487 6.310 -5.721 1.00 0.08 H new ATOM 0 HA MET A 456 -12.189 7.296 -5.265 1.00 0.09 H new ATOM 0 HB2 MET A 456 -12.007 5.026 -3.777 1.00 0.08 H new ATOM 0 HB3 MET A 456 -12.407 5.021 -5.483 1.00 0.08 H new ATOM 0 HG2 MET A 456 -9.829 4.844 -5.814 1.00 0.06 H new ATOM 0 HG3 MET A 456 -9.831 4.321 -4.142 1.00 0.06 H new ATOM 0 HE1 MET A 456 -11.784 2.141 -7.669 1.00 0.07 H new ATOM 0 HE2 MET A 456 -12.517 3.627 -7.020 1.00 0.07 H new ATOM 0 HE3 MET A 456 -10.885 3.675 -7.728 1.00 0.07 H new ATOM 1824 N VAL A 457 -9.919 6.900 -2.920 1.00 0.08 N ATOM 1825 CA VAL A 457 -9.605 7.025 -1.517 1.00 0.10 C ATOM 1826 C VAL A 457 -8.712 8.178 -1.196 1.00 0.17 C ATOM 1827 O VAL A 457 -7.709 8.458 -1.849 1.00 0.23 O ATOM 1828 CB VAL A 457 -9.006 5.724 -0.973 1.00 0.06 C ATOM 1829 CG1 VAL A 457 -8.081 5.100 -1.991 1.00 0.06 C ATOM 1830 CG2 VAL A 457 -8.298 5.945 0.355 1.00 0.10 C ATOM 0 H VAL A 457 -9.159 6.516 -3.481 1.00 0.08 H new ATOM 0 HA VAL A 457 -10.555 7.227 -1.022 1.00 0.10 H new ATOM 0 HB VAL A 457 -9.826 5.030 -0.787 1.00 0.06 H new ATOM 0 HG11 VAL A 457 -7.665 4.177 -1.587 1.00 0.06 H new ATOM 0 HG12 VAL A 457 -8.638 4.879 -2.902 1.00 0.06 H new ATOM 0 HG13 VAL A 457 -7.271 5.793 -2.220 1.00 0.06 H new ATOM 0 HG21 VAL A 457 -7.886 5.000 0.709 1.00 0.10 H new ATOM 0 HG22 VAL A 457 -7.491 6.665 0.222 1.00 0.10 H new ATOM 0 HG23 VAL A 457 -9.009 6.328 1.087 1.00 0.10 H new ATOM 1840 N GLU A 458 -9.125 8.803 -0.135 1.00 0.18 N ATOM 1841 CA GLU A 458 -8.514 9.931 0.436 1.00 0.26 C ATOM 1842 C GLU A 458 -8.500 9.707 1.910 1.00 0.15 C ATOM 1843 O GLU A 458 -8.922 8.638 2.359 1.00 0.08 O ATOM 1844 CB GLU A 458 -9.307 11.162 0.081 1.00 0.42 C ATOM 1845 CG GLU A 458 -10.781 10.944 0.254 1.00 0.46 C ATOM 1846 CD GLU A 458 -11.618 12.147 -0.127 1.00 0.66 C ATOM 1847 OE1 GLU A 458 -11.837 12.366 -1.336 1.00 0.82 O1- ATOM 1848 OE2 GLU A 458 -12.046 12.891 0.782 1.00 0.83 O ATOM 0 H GLU A 458 -9.955 8.506 0.378 1.00 0.18 H new ATOM 0 HA GLU A 458 -7.499 10.077 0.067 1.00 0.26 H new ATOM 0 HB2 GLU A 458 -8.987 11.994 0.708 1.00 0.42 H new ATOM 0 HB3 GLU A 458 -9.100 11.443 -0.952 1.00 0.42 H new ATOM 0 HG2 GLU A 458 -11.088 10.091 -0.352 1.00 0.46 H new ATOM 0 HG3 GLU A 458 -10.983 10.686 1.294 1.00 0.46 H new ATOM 1855 N LYS A 459 -8.000 10.649 2.666 1.00 0.19 N ATOM 1856 CA LYS A 459 -8.021 10.503 4.071 1.00 0.13 C ATOM 1857 C LYS A 459 -9.377 10.169 4.602 1.00 0.14 C ATOM 1858 O LYS A 459 -10.418 10.385 3.976 1.00 0.21 O ATOM 1859 CB LYS A 459 -7.486 11.711 4.754 1.00 0.14 C ATOM 1860 CG LYS A 459 -6.017 11.754 4.724 1.00 0.15 C ATOM 1861 CD LYS A 459 -5.576 12.973 5.406 1.00 0.15 C ATOM 1862 CE LYS A 459 -5.619 14.112 4.452 1.00 0.20 C ATOM 1863 NZ LYS A 459 -4.997 15.351 4.989 1.00 0.24 N1+ ATOM 0 H LYS A 459 -7.580 11.513 2.323 1.00 0.19 H new ATOM 0 HA LYS A 459 -7.370 9.657 4.291 1.00 0.13 H new ATOM 0 HB2 LYS A 459 -7.885 12.605 4.275 1.00 0.14 H new ATOM 0 HB3 LYS A 459 -7.828 11.724 5.789 1.00 0.14 H new ATOM 0 HG2 LYS A 459 -5.602 10.874 5.215 1.00 0.15 H new ATOM 0 HG3 LYS A 459 -5.658 11.744 3.695 1.00 0.15 H new ATOM 0 HD2 LYS A 459 -6.218 13.177 6.263 1.00 0.15 H new ATOM 0 HD3 LYS A 459 -4.564 12.843 5.790 1.00 0.15 H new ATOM 0 HE2 LYS A 459 -5.108 13.826 3.532 1.00 0.20 H new ATOM 0 HE3 LYS A 459 -6.657 14.319 4.190 1.00 0.20 H new ATOM 0 HZ1 LYS A 459 -5.059 16.107 4.277 1.00 0.24 H new ATOM 0 HZ2 LYS A 459 -5.498 15.645 5.851 1.00 0.24 H new ATOM 0 HZ3 LYS A 459 -3.998 15.169 5.214 1.00 0.24 H new ATOM 1877 N GLY A 460 -9.332 9.656 5.790 1.00 0.13 N ATOM 1878 CA GLY A 460 -10.529 9.245 6.446 1.00 0.19 C ATOM 1879 C GLY A 460 -10.839 7.786 6.222 1.00 0.19 C ATOM 1880 O GLY A 460 -11.435 7.130 7.080 1.00 0.37 O ATOM 0 H GLY A 460 -8.476 9.512 6.326 1.00 0.13 H new ATOM 0 HA2 GLY A 460 -10.436 9.433 7.516 1.00 0.19 H new ATOM 0 HA3 GLY A 460 -11.362 9.849 6.087 1.00 0.19 H new ATOM 1884 N THR A 461 -10.415 7.282 5.073 1.00 0.12 N ATOM 1885 CA THR A 461 -10.676 5.928 4.679 1.00 0.10 C ATOM 1886 C THR A 461 -9.664 5.011 5.336 1.00 0.09 C ATOM 1887 O THR A 461 -8.511 5.382 5.533 1.00 0.12 O ATOM 1888 CB THR A 461 -10.596 5.824 3.138 1.00 0.11 C ATOM 1889 OG1 THR A 461 -11.764 6.409 2.549 1.00 0.15 O ATOM 1890 CG2 THR A 461 -10.424 4.383 2.642 1.00 0.08 C ATOM 0 H THR A 461 -9.877 7.815 4.390 1.00 0.12 H new ATOM 0 HA THR A 461 -11.674 5.627 4.998 1.00 0.10 H new ATOM 0 HB THR A 461 -9.706 6.372 2.829 1.00 0.11 H new ATOM 0 HG1 THR A 461 -11.707 6.342 1.573 1.00 0.15 H new ATOM 0 HG21 THR A 461 -10.374 4.376 1.553 1.00 0.08 H new ATOM 0 HG22 THR A 461 -9.503 3.965 3.050 1.00 0.08 H new ATOM 0 HG23 THR A 461 -11.272 3.782 2.970 1.00 0.08 H new ATOM 1898 N PRO A 462 -10.084 3.826 5.741 1.00 0.08 N ATOM 1899 CA PRO A 462 -9.183 2.835 6.230 1.00 0.10 C ATOM 1900 C PRO A 462 -8.422 2.199 5.116 1.00 0.09 C ATOM 1901 O PRO A 462 -8.741 2.351 3.943 1.00 0.10 O ATOM 1902 CB PRO A 462 -10.064 1.776 6.873 1.00 0.12 C ATOM 1903 CG PRO A 462 -11.431 2.292 6.791 1.00 0.09 C ATOM 1904 CD PRO A 462 -11.450 3.349 5.750 1.00 0.07 C ATOM 0 HA PRO A 462 -8.461 3.276 6.917 1.00 0.10 H new ATOM 0 HB2 PRO A 462 -9.974 0.823 6.352 1.00 0.12 H new ATOM 0 HB3 PRO A 462 -9.773 1.602 7.909 1.00 0.12 H new ATOM 0 HG2 PRO A 462 -12.127 1.493 6.538 1.00 0.09 H new ATOM 0 HG3 PRO A 462 -11.746 2.696 7.753 1.00 0.09 H new ATOM 0 HD2 PRO A 462 -11.745 2.953 4.778 1.00 0.07 H new ATOM 0 HD3 PRO A 462 -12.153 4.145 5.996 1.00 0.07 H new ATOM 1912 N VAL A 463 -7.441 1.468 5.495 1.00 0.09 N ATOM 1913 CA VAL A 463 -6.804 0.562 4.594 1.00 0.14 C ATOM 1914 C VAL A 463 -6.593 -0.721 5.335 1.00 0.12 C ATOM 1915 O VAL A 463 -6.590 -0.759 6.564 1.00 0.22 O ATOM 1916 CB VAL A 463 -5.469 1.059 3.992 1.00 0.27 C ATOM 1917 CG1 VAL A 463 -5.487 2.549 3.741 1.00 1.07 C ATOM 1918 CG2 VAL A 463 -4.293 0.677 4.826 1.00 1.09 C ATOM 0 H VAL A 463 -7.051 1.475 6.438 1.00 0.09 H new ATOM 0 HA VAL A 463 -7.458 0.446 3.730 1.00 0.14 H new ATOM 0 HB VAL A 463 -5.362 0.557 3.030 1.00 0.27 H new ATOM 0 HG11 VAL A 463 -4.531 2.858 3.318 1.00 1.07 H new ATOM 0 HG12 VAL A 463 -6.288 2.791 3.042 1.00 1.07 H new ATOM 0 HG13 VAL A 463 -5.655 3.074 4.681 1.00 1.07 H new ATOM 0 HG21 VAL A 463 -3.380 1.049 4.360 1.00 1.09 H new ATOM 0 HG22 VAL A 463 -4.396 1.111 5.821 1.00 1.09 H new ATOM 0 HG23 VAL A 463 -4.242 -0.409 4.907 1.00 1.09 H new ATOM 1928 N LEU A 464 -6.507 -1.766 4.603 1.00 0.07 N ATOM 1929 CA LEU A 464 -6.311 -3.050 5.172 1.00 0.06 C ATOM 1930 C LEU A 464 -5.133 -3.704 4.561 1.00 0.06 C ATOM 1931 O LEU A 464 -4.820 -3.474 3.409 1.00 0.06 O ATOM 1932 CB LEU A 464 -7.513 -3.873 4.862 1.00 0.06 C ATOM 1933 CG LEU A 464 -8.081 -4.651 6.009 1.00 0.08 C ATOM 1934 CD1 LEU A 464 -8.472 -3.714 7.136 1.00 0.12 C ATOM 1935 CD2 LEU A 464 -9.259 -5.425 5.504 1.00 0.13 C ATOM 0 H LEU A 464 -6.571 -1.758 3.585 1.00 0.07 H new ATOM 0 HA LEU A 464 -6.154 -2.956 6.247 1.00 0.06 H new ATOM 0 HB2 LEU A 464 -8.290 -3.215 4.473 1.00 0.06 H new ATOM 0 HB3 LEU A 464 -7.257 -4.571 4.065 1.00 0.06 H new ATOM 0 HG LEU A 464 -7.340 -5.342 6.410 1.00 0.08 H new ATOM 0 HD11 LEU A 464 -8.883 -4.292 7.964 1.00 0.12 H new ATOM 0 HD12 LEU A 464 -7.592 -3.168 7.477 1.00 0.12 H new ATOM 0 HD13 LEU A 464 -9.222 -3.008 6.779 1.00 0.12 H new ATOM 0 HD21 LEU A 464 -9.693 -6.002 6.321 1.00 0.13 H new ATOM 0 HD22 LEU A 464 -10.006 -4.735 5.110 1.00 0.13 H new ATOM 0 HD23 LEU A 464 -8.937 -6.102 4.713 1.00 0.13 H new ATOM 1947 N VAL A 465 -4.457 -4.455 5.369 1.00 0.06 N ATOM 1948 CA VAL A 465 -3.496 -5.399 4.915 1.00 0.06 C ATOM 1949 C VAL A 465 -3.603 -6.608 5.823 1.00 0.08 C ATOM 1950 O VAL A 465 -3.939 -6.457 7.001 1.00 0.09 O ATOM 1951 CB VAL A 465 -2.056 -4.837 4.871 1.00 0.06 C ATOM 1952 CG1 VAL A 465 -2.009 -3.349 4.525 1.00 0.07 C ATOM 1953 CG2 VAL A 465 -1.307 -5.117 6.117 1.00 0.07 C ATOM 0 H VAL A 465 -4.562 -4.426 6.383 1.00 0.06 H new ATOM 0 HA VAL A 465 -3.711 -5.666 3.880 1.00 0.06 H new ATOM 0 HB VAL A 465 -1.559 -5.368 4.059 1.00 0.06 H new ATOM 0 HG11 VAL A 465 -0.973 -3.012 4.509 1.00 0.07 H new ATOM 0 HG12 VAL A 465 -2.458 -3.189 3.545 1.00 0.07 H new ATOM 0 HG13 VAL A 465 -2.563 -2.784 5.274 1.00 0.07 H new ATOM 0 HG21 VAL A 465 -0.302 -4.703 6.038 1.00 0.07 H new ATOM 0 HG22 VAL A 465 -1.822 -4.660 6.962 1.00 0.07 H new ATOM 0 HG23 VAL A 465 -1.245 -6.194 6.270 1.00 0.07 H new ATOM 1963 N PHE A 466 -3.379 -7.791 5.283 1.00 0.11 N ATOM 1964 CA PHE A 466 -3.515 -9.016 6.056 1.00 0.14 C ATOM 1965 C PHE A 466 -2.751 -10.167 5.414 1.00 0.19 C ATOM 1966 O PHE A 466 -2.041 -10.889 6.149 1.00 1.16 O ATOM 1967 CB PHE A 466 -4.993 -9.364 6.259 1.00 0.13 C ATOM 1968 CG PHE A 466 -5.823 -9.320 5.009 1.00 0.12 C ATOM 1969 CD1 PHE A 466 -5.764 -10.363 4.111 1.00 0.14 C ATOM 1970 CD2 PHE A 466 -6.644 -8.242 4.725 1.00 0.14 C ATOM 1971 CE1 PHE A 466 -6.512 -10.340 2.962 1.00 0.18 C ATOM 1972 CE2 PHE A 466 -7.400 -8.217 3.568 1.00 0.17 C ATOM 1973 CZ PHE A 466 -7.378 -9.203 2.718 1.00 0.19 C ATOM 1974 OXT PHE A 466 -2.842 -10.334 4.182 1.00 1.08 O ATOM 0 H PHE A 466 -3.102 -7.932 4.312 1.00 0.11 H new ATOM 0 HA PHE A 466 -3.072 -8.848 7.038 1.00 0.14 H new ATOM 0 HB2 PHE A 466 -5.062 -10.363 6.690 1.00 0.13 H new ATOM 0 HB3 PHE A 466 -5.419 -8.673 6.987 1.00 0.13 H new ATOM 0 HD1 PHE A 466 -5.122 -11.207 4.314 1.00 0.14 H new ATOM 0 HD2 PHE A 466 -6.694 -7.412 5.414 1.00 0.14 H new ATOM 0 HE1 PHE A 466 -6.457 -11.153 2.253 1.00 0.18 H new ATOM 0 HE2 PHE A 466 -8.024 -7.359 3.364 1.00 0.17 H new ATOM 0 HZ PHE A 466 -8.001 -9.174 1.836 1.00 0.19 H new TER 1984 PHE A 466