USER MOD reduce.3.24.130724 H: found=0, std=0, add=872, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 872 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 539 TYR OH : rot -28:sc= 0.242 USER MOD Set 1.2: A 556 THR OG1 : rot 171:sc= 0.221 USER MOD Set 2.1: A 515 SER OG : rot 118:sc= 0.119 USER MOD Set 2.2: A 649 SER OG : rot 180:sc= 0.0223 USER MOD Single : A 506 THR OG1 : rot 11:sc= 0.418 USER MOD Single : A 512 THR OG1 : rot 89:sc= 1.19 USER MOD Single : A 513 HIS : no HE2:sc= 0.747 K(o=0.75,f=-3.4!) USER MOD Single : A 517 SER OG : rot 180:sc= 0 USER MOD Single : A 521 MET CE :methyl 150:sc= -5.09! (180deg=-6.67!) USER MOD Single : A 524 LYS NZ :NH3+ 174:sc=-0.00908 (180deg=-0.0627) USER MOD Single : A 528 THR OG1 : rot -133:sc= -1.67! USER MOD Single : A 529 SER OG : rot -28:sc= 0.149 USER MOD Single : A 534 ASN : amide:sc= -1.36! K(o=-1.4!,f=-0.46) USER MOD Single : A 540 LYS NZ :NH3+ 167:sc= -0.0111 (180deg=-0.174) USER MOD Single : A 541 THR OG1 : rot 66:sc= 0.141 USER MOD Single : A 545 THR OG1 : rot -42:sc= 0.876 USER MOD Single : A 557 CYS SG : rot -87:sc= 1.28 USER MOD Single : A 563 GLN : amide:sc= -0.456 X(o=-0.46,f=0) USER MOD Single : A 564 ASN : amide:sc= 0 X(o=0,f=0.14) USER MOD Single : A 569 LYS NZ :NH3+ 146:sc= 1.3 (180deg=1.12) USER MOD Single : A 570 THR OG1 : rot 180:sc= 0 USER MOD Single : A 572 SER OG : rot 39:sc= 0.0692 USER MOD Single : A 574 LYS NZ :NH3+ -170:sc=-0.00561 (180deg=-0.13) USER MOD Single : A 581 TYR OH : rot 180:sc= 0 USER MOD Single : A 583 LYS NZ :NH3+ 167:sc= -0.0074 (180deg=-0.196) USER MOD Single : A 584 ASN : amide:sc= -1.8! K(o=-1.8!,f=-0.59) USER MOD Single : A 585 LYS NZ :NH3+ -159:sc= 2.96 (180deg=2.17) USER MOD Single : A 586 THR OG1 : rot 40:sc= 0.936 USER MOD Single : A 639 HIS : no HD1:sc= 0 X(o=0,f=-0.0038) USER MOD Single : A 640 THR OG1 : rot 52:sc= -0.107 USER MOD Single : A 641 LYS NZ :NH3+ 160:sc= -0.112 (180deg=-0.584) USER MOD ----------------------------------------------------------------- ATOM 28 N GLY A 503 -5.128 -12.983 -3.940 1.00 3.15 N ATOM 29 CA GLY A 503 -4.881 -11.844 -3.140 1.00 31.30 C ATOM 30 C GLY A 503 -5.660 -10.631 -3.515 1.00 43.53 C ATOM 31 O GLY A 503 -6.020 -10.448 -4.667 1.00 34.13 O ATOM 0 HA2 GLY A 503 -5.102 -12.093 -2.102 1.00 31.30 H new ATOM 0 HA3 GLY A 503 -3.819 -11.606 -3.192 1.00 31.30 H new ATOM 35 N ILE A 504 -5.963 -9.848 -2.507 1.00 51.03 N ATOM 36 CA ILE A 504 -6.551 -8.537 -2.631 1.00 12.00 C ATOM 37 C ILE A 504 -5.835 -7.672 -1.618 1.00 2.34 C ATOM 38 O ILE A 504 -6.123 -7.737 -0.434 1.00 4.43 O ATOM 39 CB ILE A 504 -8.093 -8.438 -2.307 1.00 32.51 C ATOM 40 CG1 ILE A 504 -8.982 -9.314 -3.208 1.00 33.52 C ATOM 41 CG2 ILE A 504 -8.555 -6.983 -2.382 1.00 33.02 C ATOM 42 CD1 ILE A 504 -9.000 -10.778 -2.842 1.00 44.21 C ATOM 0 H ILE A 504 -5.799 -10.119 -1.537 1.00 51.03 H new ATOM 0 HA ILE A 504 -6.447 -8.239 -3.674 1.00 12.00 H new ATOM 0 HB ILE A 504 -8.210 -8.824 -1.294 1.00 32.51 H new ATOM 0 HG12 ILE A 504 -10.002 -8.931 -3.171 1.00 33.52 H new ATOM 0 HG13 ILE A 504 -8.641 -9.215 -4.239 1.00 33.52 H new ATOM 0 HG21 ILE A 504 -9.620 -6.927 -2.157 1.00 33.02 H new ATOM 0 HG22 ILE A 504 -7.999 -6.387 -1.658 1.00 33.02 H new ATOM 0 HG23 ILE A 504 -8.376 -6.596 -3.385 1.00 33.02 H new ATOM 0 HD11 ILE A 504 -9.652 -11.317 -3.530 1.00 44.21 H new ATOM 0 HD12 ILE A 504 -7.990 -11.182 -2.908 1.00 44.21 H new ATOM 0 HD13 ILE A 504 -9.372 -10.894 -1.824 1.00 44.21 H new ATOM 54 N PHE A 505 -4.853 -6.969 -2.054 1.00 62.13 N ATOM 55 CA PHE A 505 -4.125 -6.079 -1.190 1.00 22.40 C ATOM 56 C PHE A 505 -4.222 -4.686 -1.736 1.00 31.23 C ATOM 57 O PHE A 505 -3.662 -4.376 -2.793 1.00 32.23 O ATOM 58 CB PHE A 505 -2.672 -6.519 -1.046 1.00 51.41 C ATOM 59 CG PHE A 505 -2.509 -7.824 -0.317 1.00 71.03 C ATOM 60 CD1 PHE A 505 -2.434 -7.847 1.064 1.00 62.31 C ATOM 61 CD2 PHE A 505 -2.435 -9.022 -1.006 1.00 13.45 C ATOM 62 CE1 PHE A 505 -2.288 -9.037 1.741 1.00 51.34 C ATOM 63 CE2 PHE A 505 -2.288 -10.216 -0.333 1.00 24.33 C ATOM 64 CZ PHE A 505 -2.212 -10.221 1.044 1.00 5.31 C ATOM 0 H PHE A 505 -4.522 -6.986 -3.019 1.00 62.13 H new ATOM 0 HA PHE A 505 -4.563 -6.104 -0.192 1.00 22.40 H new ATOM 0 HB2 PHE A 505 -2.228 -6.608 -2.037 1.00 51.41 H new ATOM 0 HB3 PHE A 505 -2.117 -5.745 -0.516 1.00 51.41 H new ATOM 0 HD1 PHE A 505 -2.491 -6.921 1.617 1.00 62.31 H new ATOM 0 HD2 PHE A 505 -2.493 -9.021 -2.084 1.00 13.45 H new ATOM 0 HE1 PHE A 505 -2.233 -9.041 2.820 1.00 51.34 H new ATOM 0 HE2 PHE A 505 -2.233 -11.144 -0.882 1.00 24.33 H new ATOM 0 HZ PHE A 505 -2.093 -11.154 1.575 1.00 5.31 H new ATOM 74 N THR A 506 -4.963 -3.873 -1.075 1.00 63.54 N ATOM 75 CA THR A 506 -5.186 -2.549 -1.527 1.00 1.05 C ATOM 76 C THR A 506 -5.141 -1.627 -0.321 1.00 72.15 C ATOM 77 O THR A 506 -5.252 -2.096 0.828 1.00 71.11 O ATOM 78 CB THR A 506 -6.580 -2.452 -2.251 1.00 15.54 C ATOM 79 OG1 THR A 506 -6.716 -1.204 -2.957 1.00 12.11 O ATOM 80 CG2 THR A 506 -7.742 -2.604 -1.265 1.00 51.12 C ATOM 0 H THR A 506 -5.434 -4.108 -0.201 1.00 63.54 H new ATOM 0 HA THR A 506 -4.419 -2.257 -2.244 1.00 1.05 H new ATOM 0 HB THR A 506 -6.618 -3.274 -2.966 1.00 15.54 H new ATOM 0 HG1 THR A 506 -5.849 -0.747 -2.984 1.00 12.11 H new ATOM 0 HG21 THR A 506 -8.687 -2.531 -1.803 1.00 51.12 H new ATOM 0 HG22 THR A 506 -7.678 -3.575 -0.774 1.00 51.12 H new ATOM 0 HG23 THR A 506 -7.689 -1.814 -0.516 1.00 51.12 H new ATOM 88 N PHE A 507 -4.940 -0.362 -0.556 1.00 34.42 N ATOM 89 CA PHE A 507 -4.980 0.602 0.510 1.00 70.34 C ATOM 90 C PHE A 507 -6.397 1.043 0.740 1.00 55.22 C ATOM 91 O PHE A 507 -7.223 1.024 -0.179 1.00 45.11 O ATOM 92 CB PHE A 507 -4.089 1.812 0.228 1.00 5.21 C ATOM 93 CG PHE A 507 -2.624 1.554 0.396 1.00 61.33 C ATOM 94 CD1 PHE A 507 -2.050 1.619 1.655 1.00 4.10 C ATOM 95 CD2 PHE A 507 -1.818 1.270 -0.689 1.00 52.31 C ATOM 96 CE1 PHE A 507 -0.703 1.402 1.829 1.00 41.12 C ATOM 97 CE2 PHE A 507 -0.464 1.049 -0.521 1.00 3.32 C ATOM 98 CZ PHE A 507 0.092 1.117 0.742 1.00 54.03 C ATOM 0 H PHE A 507 -4.746 0.028 -1.478 1.00 34.42 H new ATOM 0 HA PHE A 507 -4.593 0.120 1.408 1.00 70.34 H new ATOM 0 HB2 PHE A 507 -4.271 2.152 -0.791 1.00 5.21 H new ATOM 0 HB3 PHE A 507 -4.381 2.625 0.892 1.00 5.21 H new ATOM 0 HD1 PHE A 507 -2.668 1.843 2.512 1.00 4.10 H new ATOM 0 HD2 PHE A 507 -2.250 1.220 -1.678 1.00 52.31 H new ATOM 0 HE1 PHE A 507 -0.270 1.455 2.817 1.00 41.12 H new ATOM 0 HE2 PHE A 507 0.158 0.824 -1.375 1.00 3.32 H new ATOM 0 HZ PHE A 507 1.150 0.947 0.876 1.00 54.03 H new ATOM 108 N GLU A 508 -6.699 1.372 1.962 1.00 21.15 N ATOM 109 CA GLU A 508 -8.003 1.870 2.315 1.00 30.21 C ATOM 110 C GLU A 508 -8.131 3.318 1.792 1.00 21.44 C ATOM 111 O GLU A 508 -9.207 3.769 1.387 1.00 52.24 O ATOM 112 CB GLU A 508 -8.151 1.773 3.845 1.00 1.13 C ATOM 113 CG GLU A 508 -9.577 1.679 4.372 1.00 43.23 C ATOM 114 CD GLU A 508 -10.396 2.928 4.192 1.00 2.52 C ATOM 115 OE1 GLU A 508 -10.215 3.880 4.961 1.00 22.44 O ATOM 116 OE2 GLU A 508 -11.290 2.955 3.316 1.00 73.32 O ATOM 0 H GLU A 508 -6.049 1.304 2.746 1.00 21.15 H new ATOM 0 HA GLU A 508 -8.805 1.287 1.863 1.00 30.21 H new ATOM 0 HB2 GLU A 508 -7.599 0.898 4.189 1.00 1.13 H new ATOM 0 HB3 GLU A 508 -7.676 2.646 4.292 1.00 1.13 H new ATOM 0 HG2 GLU A 508 -10.082 0.854 3.870 1.00 43.23 H new ATOM 0 HG3 GLU A 508 -9.542 1.433 5.433 1.00 43.23 H new ATOM 123 N GLU A 509 -7.018 4.015 1.752 1.00 12.22 N ATOM 124 CA GLU A 509 -6.977 5.363 1.248 1.00 42.11 C ATOM 125 C GLU A 509 -5.723 5.549 0.396 1.00 13.33 C ATOM 126 O GLU A 509 -4.667 5.043 0.745 1.00 4.14 O ATOM 127 CB GLU A 509 -7.054 6.374 2.411 1.00 75.01 C ATOM 128 CG GLU A 509 -5.954 6.254 3.452 1.00 11.11 C ATOM 129 CD GLU A 509 -6.277 7.038 4.702 1.00 53.34 C ATOM 130 OE1 GLU A 509 -7.029 6.527 5.552 1.00 64.03 O ATOM 131 OE2 GLU A 509 -5.807 8.164 4.867 1.00 12.30 O ATOM 0 H GLU A 509 -6.116 3.660 2.069 1.00 12.22 H new ATOM 0 HA GLU A 509 -7.842 5.549 0.612 1.00 42.11 H new ATOM 0 HB2 GLU A 509 -7.030 7.382 1.996 1.00 75.01 H new ATOM 0 HB3 GLU A 509 -8.017 6.257 2.909 1.00 75.01 H new ATOM 0 HG2 GLU A 509 -5.809 5.205 3.708 1.00 11.11 H new ATOM 0 HG3 GLU A 509 -5.014 6.612 3.031 1.00 11.11 H new ATOM 138 N PRO A 510 -5.844 6.198 -0.777 1.00 33.41 N ATOM 139 CA PRO A 510 -4.700 6.461 -1.659 1.00 14.24 C ATOM 140 C PRO A 510 -3.913 7.698 -1.226 1.00 33.10 C ATOM 141 O PRO A 510 -2.813 7.933 -1.694 1.00 31.11 O ATOM 142 CB PRO A 510 -5.368 6.711 -3.014 1.00 25.23 C ATOM 143 CG PRO A 510 -6.695 7.301 -2.677 1.00 20.40 C ATOM 144 CD PRO A 510 -7.113 6.687 -1.365 1.00 11.23 C ATOM 0 HA PRO A 510 -3.978 5.644 -1.658 1.00 14.24 H new ATOM 0 HB2 PRO A 510 -4.777 7.390 -3.628 1.00 25.23 H new ATOM 0 HB3 PRO A 510 -5.478 5.785 -3.578 1.00 25.23 H new ATOM 0 HG2 PRO A 510 -6.628 8.386 -2.594 1.00 20.40 H new ATOM 0 HG3 PRO A 510 -7.425 7.085 -3.457 1.00 20.40 H new ATOM 0 HD2 PRO A 510 -7.597 7.419 -0.718 1.00 11.23 H new ATOM 0 HD3 PRO A 510 -7.824 5.874 -1.513 1.00 11.23 H new ATOM 152 N VAL A 511 -4.494 8.480 -0.336 1.00 13.12 N ATOM 153 CA VAL A 511 -3.899 9.709 0.171 1.00 53.24 C ATOM 154 C VAL A 511 -4.195 9.807 1.641 1.00 53.32 C ATOM 155 O VAL A 511 -5.313 9.511 2.062 1.00 63.41 O ATOM 156 CB VAL A 511 -4.489 10.980 -0.538 1.00 42.34 C ATOM 157 CG1 VAL A 511 -3.988 12.255 0.103 1.00 12.33 C ATOM 158 CG2 VAL A 511 -4.153 11.001 -2.007 1.00 34.51 C ATOM 0 H VAL A 511 -5.410 8.278 0.064 1.00 13.12 H new ATOM 0 HA VAL A 511 -2.827 9.675 -0.024 1.00 53.24 H new ATOM 0 HB VAL A 511 -5.571 10.925 -0.422 1.00 42.34 H new ATOM 0 HG11 VAL A 511 -4.416 13.114 -0.413 1.00 12.33 H new ATOM 0 HG12 VAL A 511 -4.285 12.276 1.152 1.00 12.33 H new ATOM 0 HG13 VAL A 511 -2.901 12.295 0.033 1.00 12.33 H new ATOM 0 HG21 VAL A 511 -4.578 11.895 -2.465 1.00 34.51 H new ATOM 0 HG22 VAL A 511 -3.070 11.008 -2.133 1.00 34.51 H new ATOM 0 HG23 VAL A 511 -4.568 10.115 -2.488 1.00 34.51 H new ATOM 168 N THR A 512 -3.218 10.205 2.405 1.00 31.03 N ATOM 169 CA THR A 512 -3.391 10.385 3.802 1.00 34.11 C ATOM 170 C THR A 512 -2.549 11.608 4.232 1.00 54.31 C ATOM 171 O THR A 512 -1.444 11.818 3.719 1.00 73.25 O ATOM 172 CB THR A 512 -2.987 9.078 4.584 1.00 33.43 C ATOM 173 OG1 THR A 512 -3.533 9.090 5.896 1.00 0.02 O ATOM 174 CG2 THR A 512 -1.482 8.892 4.668 1.00 62.43 C ATOM 0 H THR A 512 -2.278 10.412 2.066 1.00 31.03 H new ATOM 0 HA THR A 512 -4.438 10.572 4.040 1.00 34.11 H new ATOM 0 HB THR A 512 -3.397 8.241 4.020 1.00 33.43 H new ATOM 0 HG1 THR A 512 -4.425 8.684 5.883 1.00 0.02 H new ATOM 0 HG21 THR A 512 -1.259 7.977 5.217 1.00 62.43 H new ATOM 0 HG22 THR A 512 -1.067 8.823 3.662 1.00 62.43 H new ATOM 0 HG23 THR A 512 -1.039 9.743 5.185 1.00 62.43 H new ATOM 182 N HIS A 513 -3.101 12.455 5.067 1.00 40.44 N ATOM 183 CA HIS A 513 -2.368 13.604 5.583 1.00 72.21 C ATOM 184 C HIS A 513 -2.016 13.357 7.016 1.00 75.12 C ATOM 185 O HIS A 513 -2.891 13.048 7.839 1.00 50.33 O ATOM 186 CB HIS A 513 -3.146 14.924 5.440 1.00 1.45 C ATOM 187 CG HIS A 513 -3.265 15.434 4.032 1.00 53.33 C ATOM 188 ND1 HIS A 513 -2.822 16.685 3.623 1.00 24.44 N ATOM 189 CD2 HIS A 513 -3.836 14.866 2.940 1.00 34.31 C ATOM 190 CE1 HIS A 513 -3.137 16.831 2.332 1.00 64.21 C ATOM 191 NE2 HIS A 513 -3.761 15.751 1.865 1.00 34.45 N ATOM 0 H HIS A 513 -4.059 12.376 5.409 1.00 40.44 H new ATOM 0 HA HIS A 513 -1.463 13.716 4.985 1.00 72.21 H new ATOM 0 HB2 HIS A 513 -4.147 14.785 5.847 1.00 1.45 H new ATOM 0 HB3 HIS A 513 -2.657 15.686 6.048 1.00 1.45 H new ATOM 0 HD1 HIS A 513 -2.341 17.371 4.205 1.00 24.44 H new ATOM 0 HD2 HIS A 513 -4.279 13.882 2.908 1.00 34.31 H new ATOM 0 HE1 HIS A 513 -2.915 17.710 1.745 1.00 64.21 H new ATOM 199 N VAL A 514 -0.756 13.488 7.320 1.00 64.21 N ATOM 200 CA VAL A 514 -0.254 13.183 8.630 1.00 14.12 C ATOM 201 C VAL A 514 0.519 14.365 9.157 1.00 12.14 C ATOM 202 O VAL A 514 0.934 15.247 8.383 1.00 1.21 O ATOM 203 CB VAL A 514 0.663 11.909 8.626 1.00 31.01 C ATOM 204 CG1 VAL A 514 -0.087 10.685 8.108 1.00 54.54 C ATOM 205 CG2 VAL A 514 1.931 12.138 7.808 1.00 51.12 C ATOM 0 H VAL A 514 -0.045 13.811 6.664 1.00 64.21 H new ATOM 0 HA VAL A 514 -1.107 12.972 9.275 1.00 14.12 H new ATOM 0 HB VAL A 514 0.953 11.720 9.660 1.00 31.01 H new ATOM 0 HG11 VAL A 514 0.577 9.820 8.118 1.00 54.54 H new ATOM 0 HG12 VAL A 514 -0.948 10.489 8.747 1.00 54.54 H new ATOM 0 HG13 VAL A 514 -0.426 10.870 7.089 1.00 54.54 H new ATOM 0 HG21 VAL A 514 2.543 11.236 7.826 1.00 51.12 H new ATOM 0 HG22 VAL A 514 1.662 12.373 6.778 1.00 51.12 H new ATOM 0 HG23 VAL A 514 2.494 12.968 8.235 1.00 51.12 H new ATOM 215 N SER A 515 0.712 14.394 10.444 1.00 41.31 N ATOM 216 CA SER A 515 1.452 15.447 11.053 1.00 2.34 C ATOM 217 C SER A 515 2.915 15.099 10.995 1.00 44.35 C ATOM 218 O SER A 515 3.278 13.949 10.769 1.00 23.41 O ATOM 219 CB SER A 515 0.994 15.644 12.504 1.00 73.33 C ATOM 220 OG SER A 515 1.661 16.742 13.120 1.00 61.31 O ATOM 0 H SER A 515 0.361 13.690 11.093 1.00 41.31 H new ATOM 0 HA SER A 515 1.281 16.383 10.520 1.00 2.34 H new ATOM 0 HB2 SER A 515 -0.083 15.813 12.527 1.00 73.33 H new ATOM 0 HB3 SER A 515 1.186 14.735 13.074 1.00 73.33 H new ATOM 0 HG SER A 515 1.005 17.427 13.365 1.00 61.31 H new ATOM 226 N GLU A 516 3.744 16.073 11.164 1.00 2.42 N ATOM 227 CA GLU A 516 5.147 15.847 11.172 1.00 50.25 C ATOM 228 C GLU A 516 5.644 15.785 12.622 1.00 72.00 C ATOM 229 O GLU A 516 6.752 15.353 12.896 1.00 73.01 O ATOM 230 CB GLU A 516 5.840 16.942 10.397 1.00 72.41 C ATOM 231 CG GLU A 516 7.298 16.673 10.132 1.00 33.33 C ATOM 232 CD GLU A 516 7.917 17.771 9.375 1.00 62.32 C ATOM 233 OE1 GLU A 516 8.053 18.857 9.866 1.00 1.30 O ATOM 234 OE2 GLU A 516 8.291 17.635 8.217 1.00 11.33 O ATOM 0 H GLU A 516 3.468 17.045 11.300 1.00 2.42 H new ATOM 0 HA GLU A 516 5.377 14.896 10.692 1.00 50.25 H new ATOM 0 HB2 GLU A 516 5.327 17.080 9.445 1.00 72.41 H new ATOM 0 HB3 GLU A 516 5.748 17.878 10.948 1.00 72.41 H new ATOM 0 HG2 GLU A 516 7.823 16.540 11.078 1.00 33.33 H new ATOM 0 HG3 GLU A 516 7.402 15.741 9.576 1.00 33.33 H new ATOM 241 N SER A 517 4.794 16.179 13.551 1.00 70.12 N ATOM 242 CA SER A 517 5.144 16.154 14.962 1.00 30.04 C ATOM 243 C SER A 517 4.727 14.814 15.579 1.00 70.13 C ATOM 244 O SER A 517 4.804 14.608 16.798 1.00 51.33 O ATOM 245 CB SER A 517 4.467 17.323 15.685 1.00 54.01 C ATOM 246 OG SER A 517 4.875 18.574 15.125 1.00 53.42 O ATOM 0 H SER A 517 3.853 16.521 13.355 1.00 70.12 H new ATOM 0 HA SER A 517 6.223 16.260 15.071 1.00 30.04 H new ATOM 0 HB2 SER A 517 3.384 17.223 15.612 1.00 54.01 H new ATOM 0 HB3 SER A 517 4.719 17.295 16.745 1.00 54.01 H new ATOM 0 HG SER A 517 4.430 19.306 15.600 1.00 53.42 H new ATOM 252 N ILE A 518 4.325 13.909 14.715 1.00 33.24 N ATOM 253 CA ILE A 518 3.859 12.604 15.090 1.00 52.35 C ATOM 254 C ILE A 518 5.063 11.656 15.112 1.00 13.44 C ATOM 255 O ILE A 518 6.089 11.953 14.484 1.00 1.13 O ATOM 256 CB ILE A 518 2.794 12.130 14.057 1.00 65.01 C ATOM 257 CG1 ILE A 518 1.921 11.035 14.627 1.00 24.10 C ATOM 258 CG2 ILE A 518 3.443 11.645 12.760 1.00 34.44 C ATOM 259 CD1 ILE A 518 0.736 10.747 13.761 1.00 1.54 C ATOM 0 H ILE A 518 4.315 14.070 13.708 1.00 33.24 H new ATOM 0 HA ILE A 518 3.397 12.619 16.077 1.00 52.35 H new ATOM 0 HB ILE A 518 2.171 12.995 13.831 1.00 65.01 H new ATOM 0 HG12 ILE A 518 2.512 10.127 14.745 1.00 24.10 H new ATOM 0 HG13 ILE A 518 1.580 11.325 15.621 1.00 24.10 H new ATOM 0 HG21 ILE A 518 2.669 11.322 12.064 1.00 34.44 H new ATOM 0 HG22 ILE A 518 4.016 12.458 12.314 1.00 34.44 H new ATOM 0 HG23 ILE A 518 4.108 10.809 12.976 1.00 34.44 H new ATOM 0 HD11 ILE A 518 0.140 9.954 14.212 1.00 1.54 H new ATOM 0 HD12 ILE A 518 0.129 11.647 13.664 1.00 1.54 H new ATOM 0 HD13 ILE A 518 1.075 10.430 12.775 1.00 1.54 H new ATOM 271 N GLY A 519 4.970 10.577 15.841 1.00 43.21 N ATOM 272 CA GLY A 519 6.059 9.639 15.887 1.00 51.22 C ATOM 273 C GLY A 519 5.944 8.613 14.789 1.00 61.34 C ATOM 274 O GLY A 519 6.845 8.464 13.949 1.00 44.35 O ATOM 0 H GLY A 519 4.159 10.327 16.407 1.00 43.21 H new ATOM 0 HA2 GLY A 519 7.005 10.172 15.792 1.00 51.22 H new ATOM 0 HA3 GLY A 519 6.070 9.139 16.855 1.00 51.22 H new ATOM 278 N ILE A 520 4.832 7.931 14.783 1.00 0.35 N ATOM 279 CA ILE A 520 4.549 6.891 13.827 1.00 34.53 C ATOM 280 C ILE A 520 3.204 7.177 13.176 1.00 3.23 C ATOM 281 O ILE A 520 2.259 7.602 13.852 1.00 4.33 O ATOM 282 CB ILE A 520 4.476 5.479 14.525 1.00 43.33 C ATOM 283 CG1 ILE A 520 5.807 5.092 15.193 1.00 11.53 C ATOM 284 CG2 ILE A 520 4.052 4.386 13.545 1.00 34.45 C ATOM 285 CD1 ILE A 520 6.965 4.933 14.231 1.00 43.10 C ATOM 0 H ILE A 520 4.081 8.084 15.455 1.00 0.35 H new ATOM 0 HA ILE A 520 5.349 6.875 13.087 1.00 34.53 H new ATOM 0 HB ILE A 520 3.717 5.564 15.303 1.00 43.33 H new ATOM 0 HG12 ILE A 520 6.064 5.852 15.930 1.00 11.53 H new ATOM 0 HG13 ILE A 520 5.669 4.156 15.735 1.00 11.53 H new ATOM 0 HG21 ILE A 520 4.013 3.428 14.063 1.00 34.45 H new ATOM 0 HG22 ILE A 520 3.067 4.621 13.142 1.00 34.45 H new ATOM 0 HG23 ILE A 520 4.773 4.329 12.730 1.00 34.45 H new ATOM 0 HD11 ILE A 520 7.863 4.660 14.785 1.00 43.10 H new ATOM 0 HD12 ILE A 520 6.733 4.151 13.508 1.00 43.10 H new ATOM 0 HD13 ILE A 520 7.134 5.873 13.706 1.00 43.10 H new ATOM 297 N MET A 521 3.130 7.012 11.885 1.00 12.35 N ATOM 298 CA MET A 521 1.863 7.072 11.210 1.00 2.23 C ATOM 299 C MET A 521 1.552 5.681 10.730 1.00 72.10 C ATOM 300 O MET A 521 2.453 4.982 10.249 1.00 25.15 O ATOM 301 CB MET A 521 1.806 8.169 10.090 1.00 22.11 C ATOM 302 CG MET A 521 2.692 7.992 8.841 1.00 11.41 C ATOM 303 SD MET A 521 2.050 6.778 7.660 1.00 34.11 S ATOM 304 CE MET A 521 3.136 7.033 6.259 1.00 21.41 C ATOM 0 H MET A 521 3.931 6.835 11.279 1.00 12.35 H new ATOM 0 HA MET A 521 1.083 7.398 11.898 1.00 2.23 H new ATOM 0 HB2 MET A 521 0.772 8.247 9.754 1.00 22.11 H new ATOM 0 HB3 MET A 521 2.065 9.124 10.548 1.00 22.11 H new ATOM 0 HG2 MET A 521 2.795 8.954 8.340 1.00 11.41 H new ATOM 0 HG3 MET A 521 3.691 7.688 9.155 1.00 11.41 H new ATOM 0 HE1 MET A 521 3.248 6.098 5.711 1.00 21.41 H new ATOM 0 HE2 MET A 521 2.710 7.790 5.601 1.00 21.41 H new ATOM 0 HE3 MET A 521 4.112 7.367 6.611 1.00 21.41 H new ATOM 314 N GLU A 522 0.330 5.235 10.965 1.00 42.51 N ATOM 315 CA GLU A 522 -0.064 3.891 10.619 1.00 52.32 C ATOM 316 C GLU A 522 -1.169 3.944 9.589 1.00 12.54 C ATOM 317 O GLU A 522 -2.176 4.641 9.788 1.00 33.45 O ATOM 318 CB GLU A 522 -0.600 3.119 11.839 1.00 23.31 C ATOM 319 CG GLU A 522 0.234 3.170 13.118 1.00 43.00 C ATOM 320 CD GLU A 522 0.059 4.466 13.881 1.00 53.01 C ATOM 321 OE1 GLU A 522 -1.062 5.011 13.913 1.00 10.43 O ATOM 322 OE2 GLU A 522 1.007 4.935 14.510 1.00 72.52 O ATOM 0 H GLU A 522 -0.407 5.792 11.397 1.00 42.51 H new ATOM 0 HA GLU A 522 0.819 3.381 10.235 1.00 52.32 H new ATOM 0 HB2 GLU A 522 -1.595 3.499 12.069 1.00 23.31 H new ATOM 0 HB3 GLU A 522 -0.717 2.074 11.553 1.00 23.31 H new ATOM 0 HG2 GLU A 522 -0.044 2.335 13.761 1.00 43.00 H new ATOM 0 HG3 GLU A 522 1.287 3.042 12.865 1.00 43.00 H new ATOM 329 N VAL A 523 -1.005 3.224 8.510 1.00 25.32 N ATOM 330 CA VAL A 523 -2.020 3.189 7.463 1.00 52.21 C ATOM 331 C VAL A 523 -2.518 1.765 7.278 1.00 13.23 C ATOM 332 O VAL A 523 -1.712 0.831 7.237 1.00 65.05 O ATOM 333 CB VAL A 523 -1.469 3.712 6.122 1.00 53.02 C ATOM 334 CG1 VAL A 523 -2.584 3.875 5.089 1.00 51.02 C ATOM 335 CG2 VAL A 523 -0.719 5.007 6.334 1.00 42.22 C ATOM 0 H VAL A 523 -0.182 2.651 8.323 1.00 25.32 H new ATOM 0 HA VAL A 523 -2.840 3.837 7.773 1.00 52.21 H new ATOM 0 HB VAL A 523 -0.771 2.974 5.726 1.00 53.02 H new ATOM 0 HG11 VAL A 523 -2.163 4.245 4.154 1.00 51.02 H new ATOM 0 HG12 VAL A 523 -3.062 2.911 4.915 1.00 51.02 H new ATOM 0 HG13 VAL A 523 -3.323 4.585 5.460 1.00 51.02 H new ATOM 0 HG21 VAL A 523 -0.335 5.366 5.379 1.00 42.22 H new ATOM 0 HG22 VAL A 523 -1.392 5.752 6.757 1.00 42.22 H new ATOM 0 HG23 VAL A 523 0.112 4.838 7.019 1.00 42.22 H new ATOM 345 N LYS A 524 -3.823 1.613 7.181 1.00 61.11 N ATOM 346 CA LYS A 524 -4.471 0.318 7.044 1.00 22.04 C ATOM 347 C LYS A 524 -4.447 -0.235 5.622 1.00 42.10 C ATOM 348 O LYS A 524 -4.813 0.443 4.646 1.00 0.42 O ATOM 349 CB LYS A 524 -5.902 0.379 7.572 1.00 21.24 C ATOM 350 CG LYS A 524 -5.998 0.455 9.088 1.00 30.44 C ATOM 351 CD LYS A 524 -5.674 -0.891 9.709 1.00 13.33 C ATOM 352 CE LYS A 524 -5.660 -0.863 11.225 1.00 53.12 C ATOM 353 NZ LYS A 524 -6.906 -0.333 11.812 1.00 62.21 N ATOM 0 H LYS A 524 -4.476 2.396 7.195 1.00 61.11 H new ATOM 0 HA LYS A 524 -3.887 -0.378 7.647 1.00 22.04 H new ATOM 0 HB2 LYS A 524 -6.400 1.248 7.142 1.00 21.24 H new ATOM 0 HB3 LYS A 524 -6.444 -0.502 7.227 1.00 21.24 H new ATOM 0 HG2 LYS A 524 -5.309 1.211 9.464 1.00 30.44 H new ATOM 0 HG3 LYS A 524 -7.002 0.765 9.380 1.00 30.44 H new ATOM 0 HD2 LYS A 524 -6.407 -1.625 9.373 1.00 13.33 H new ATOM 0 HD3 LYS A 524 -4.701 -1.225 9.349 1.00 13.33 H new ATOM 0 HE2 LYS A 524 -5.492 -1.873 11.598 1.00 53.12 H new ATOM 0 HE3 LYS A 524 -4.821 -0.255 11.562 1.00 53.12 H new ATOM 0 HZ1 LYS A 524 -6.873 -0.435 12.847 1.00 62.21 H new ATOM 0 HZ2 LYS A 524 -7.005 0.673 11.566 1.00 62.21 H new ATOM 0 HZ3 LYS A 524 -7.719 -0.863 11.438 1.00 62.21 H new ATOM 367 N VAL A 525 -4.012 -1.464 5.535 1.00 40.14 N ATOM 368 CA VAL A 525 -3.953 -2.222 4.295 1.00 12.44 C ATOM 369 C VAL A 525 -4.965 -3.332 4.419 1.00 54.30 C ATOM 370 O VAL A 525 -4.996 -4.010 5.445 1.00 51.32 O ATOM 371 CB VAL A 525 -2.594 -2.922 4.117 1.00 22.21 C ATOM 372 CG1 VAL A 525 -2.366 -3.355 2.677 1.00 13.13 C ATOM 373 CG2 VAL A 525 -1.461 -2.096 4.647 1.00 55.32 C ATOM 0 H VAL A 525 -3.677 -1.988 6.343 1.00 40.14 H new ATOM 0 HA VAL A 525 -4.127 -1.541 3.462 1.00 12.44 H new ATOM 0 HB VAL A 525 -2.623 -3.830 4.719 1.00 22.21 H new ATOM 0 HG11 VAL A 525 -1.396 -3.845 2.594 1.00 13.13 H new ATOM 0 HG12 VAL A 525 -3.150 -4.050 2.378 1.00 13.13 H new ATOM 0 HG13 VAL A 525 -2.388 -2.481 2.026 1.00 13.13 H new ATOM 0 HG21 VAL A 525 -0.522 -2.630 4.500 1.00 55.32 H new ATOM 0 HG22 VAL A 525 -1.425 -1.145 4.116 1.00 55.32 H new ATOM 0 HG23 VAL A 525 -1.611 -1.912 5.711 1.00 55.32 H new ATOM 383 N LEU A 526 -5.761 -3.537 3.415 1.00 31.21 N ATOM 384 CA LEU A 526 -6.767 -4.564 3.479 1.00 50.54 C ATOM 385 C LEU A 526 -6.173 -5.894 3.033 1.00 1.32 C ATOM 386 O LEU A 526 -5.369 -5.937 2.091 1.00 63.41 O ATOM 387 CB LEU A 526 -8.020 -4.200 2.655 1.00 72.21 C ATOM 388 CG LEU A 526 -8.781 -2.902 3.050 1.00 11.41 C ATOM 389 CD1 LEU A 526 -9.057 -2.827 4.543 1.00 42.33 C ATOM 390 CD2 LEU A 526 -8.063 -1.661 2.575 1.00 44.55 C ATOM 0 H LEU A 526 -5.738 -3.011 2.541 1.00 31.21 H new ATOM 0 HA LEU A 526 -7.096 -4.655 4.514 1.00 50.54 H new ATOM 0 HB2 LEU A 526 -7.723 -4.112 1.610 1.00 72.21 H new ATOM 0 HB3 LEU A 526 -8.719 -5.034 2.718 1.00 72.21 H new ATOM 0 HG LEU A 526 -9.744 -2.947 2.541 1.00 11.41 H new ATOM 0 HD11 LEU A 526 -9.590 -1.903 4.769 1.00 42.33 H new ATOM 0 HD12 LEU A 526 -9.666 -3.680 4.844 1.00 42.33 H new ATOM 0 HD13 LEU A 526 -8.114 -2.844 5.089 1.00 42.33 H new ATOM 0 HD21 LEU A 526 -8.628 -0.778 2.872 1.00 44.55 H new ATOM 0 HD22 LEU A 526 -7.069 -1.623 3.021 1.00 44.55 H new ATOM 0 HD23 LEU A 526 -7.973 -1.686 1.489 1.00 44.55 H new ATOM 402 N ARG A 527 -6.541 -6.963 3.725 1.00 45.42 N ATOM 403 CA ARG A 527 -5.990 -8.280 3.455 1.00 51.33 C ATOM 404 C ARG A 527 -6.783 -8.997 2.362 1.00 45.21 C ATOM 405 O ARG A 527 -7.953 -8.676 2.104 1.00 33.53 O ATOM 406 CB ARG A 527 -5.984 -9.168 4.731 1.00 25.41 C ATOM 407 CG ARG A 527 -5.175 -10.466 4.561 1.00 14.13 C ATOM 408 CD ARG A 527 -5.322 -11.445 5.711 1.00 24.23 C ATOM 409 NE ARG A 527 -6.642 -12.104 5.754 1.00 33.33 N ATOM 410 CZ ARG A 527 -6.925 -13.203 6.496 1.00 30.34 C ATOM 411 NH1 ARG A 527 -6.060 -13.645 7.411 1.00 65.04 N ATOM 412 NH2 ARG A 527 -8.084 -13.818 6.350 1.00 60.02 N ATOM 0 H ARG A 527 -7.224 -6.941 4.482 1.00 45.42 H new ATOM 0 HA ARG A 527 -4.964 -8.127 3.120 1.00 51.33 H new ATOM 0 HB2 ARG A 527 -5.571 -8.596 5.562 1.00 25.41 H new ATOM 0 HB3 ARG A 527 -7.011 -9.419 4.996 1.00 25.41 H new ATOM 0 HG2 ARG A 527 -5.486 -10.957 3.639 1.00 14.13 H new ATOM 0 HG3 ARG A 527 -4.121 -10.212 4.447 1.00 14.13 H new ATOM 0 HD2 ARG A 527 -4.546 -12.207 5.632 1.00 24.23 H new ATOM 0 HD3 ARG A 527 -5.156 -10.918 6.651 1.00 24.23 H new ATOM 0 HE ARG A 527 -7.391 -11.706 5.188 1.00 33.33 H new ATOM 0 HH11 ARG A 527 -5.177 -13.155 7.557 1.00 65.04 H new ATOM 0 HH12 ARG A 527 -6.282 -14.473 7.964 1.00 65.04 H new ATOM 0 HH21 ARG A 527 -8.767 -13.466 5.679 1.00 60.02 H new ATOM 0 HH22 ARG A 527 -8.297 -14.645 6.908 1.00 60.02 H new ATOM 426 N THR A 528 -6.123 -9.953 1.738 1.00 53.35 N ATOM 427 CA THR A 528 -6.691 -10.849 0.764 1.00 54.33 C ATOM 428 C THR A 528 -7.875 -11.648 1.347 1.00 1.30 C ATOM 429 O THR A 528 -7.998 -11.824 2.572 1.00 3.42 O ATOM 430 CB THR A 528 -5.594 -11.841 0.259 1.00 71.21 C ATOM 431 OG1 THR A 528 -6.155 -12.833 -0.616 1.00 11.42 O ATOM 432 CG2 THR A 528 -4.894 -12.521 1.419 1.00 42.14 C ATOM 0 H THR A 528 -5.133 -10.130 1.907 1.00 53.35 H new ATOM 0 HA THR A 528 -7.064 -10.247 -0.065 1.00 54.33 H new ATOM 0 HB THR A 528 -4.862 -11.256 -0.297 1.00 71.21 H new ATOM 0 HG1 THR A 528 -5.824 -13.719 -0.360 1.00 11.42 H new ATOM 0 HG21 THR A 528 -4.136 -13.205 1.036 1.00 42.14 H new ATOM 0 HG22 THR A 528 -4.419 -11.769 2.049 1.00 42.14 H new ATOM 0 HG23 THR A 528 -5.623 -13.079 2.007 1.00 42.14 H new ATOM 440 N SER A 529 -8.710 -12.136 0.455 1.00 31.14 N ATOM 441 CA SER A 529 -9.859 -12.926 0.794 1.00 23.33 C ATOM 442 C SER A 529 -9.455 -14.407 0.874 1.00 12.22 C ATOM 443 O SER A 529 -10.252 -15.259 1.271 1.00 70.31 O ATOM 444 CB SER A 529 -10.944 -12.706 -0.278 1.00 45.02 C ATOM 445 OG SER A 529 -12.156 -13.381 0.023 1.00 13.14 O ATOM 0 H SER A 529 -8.600 -11.987 -0.548 1.00 31.14 H new ATOM 0 HA SER A 529 -10.256 -12.628 1.765 1.00 23.33 H new ATOM 0 HB2 SER A 529 -11.142 -11.639 -0.375 1.00 45.02 H new ATOM 0 HB3 SER A 529 -10.571 -13.050 -1.243 1.00 45.02 H new ATOM 0 HG SER A 529 -11.962 -14.178 0.559 1.00 13.14 H new ATOM 451 N GLY A 530 -8.229 -14.695 0.484 1.00 60.12 N ATOM 452 CA GLY A 530 -7.712 -16.034 0.532 1.00 31.00 C ATOM 453 C GLY A 530 -6.357 -16.022 1.172 1.00 13.55 C ATOM 454 O GLY A 530 -5.403 -15.509 0.591 1.00 32.31 O ATOM 0 H GLY A 530 -7.570 -14.003 0.127 1.00 60.12 H new ATOM 0 HA2 GLY A 530 -8.387 -16.676 1.097 1.00 31.00 H new ATOM 0 HA3 GLY A 530 -7.647 -16.447 -0.475 1.00 31.00 H new ATOM 458 N ALA A 531 -6.266 -16.565 2.358 1.00 54.21 N ATOM 459 CA ALA A 531 -5.050 -16.537 3.134 1.00 61.20 C ATOM 460 C ALA A 531 -5.050 -17.683 4.094 1.00 65.22 C ATOM 461 O ALA A 531 -5.607 -17.602 5.187 1.00 31.04 O ATOM 462 CB ALA A 531 -4.890 -15.221 3.892 1.00 31.23 C ATOM 0 H ALA A 531 -7.040 -17.044 2.818 1.00 54.21 H new ATOM 0 HA ALA A 531 -4.207 -16.624 2.448 1.00 61.20 H new ATOM 0 HB1 ALA A 531 -3.962 -15.241 4.464 1.00 31.23 H new ATOM 0 HB2 ALA A 531 -4.862 -14.394 3.183 1.00 31.23 H new ATOM 0 HB3 ALA A 531 -5.732 -15.088 4.571 1.00 31.23 H new ATOM 468 N ARG A 532 -4.474 -18.757 3.671 1.00 21.04 N ATOM 469 CA ARG A 532 -4.384 -19.941 4.471 1.00 42.42 C ATOM 470 C ARG A 532 -2.972 -20.158 4.964 1.00 75.03 C ATOM 471 O ARG A 532 -2.596 -21.254 5.361 1.00 22.52 O ATOM 472 CB ARG A 532 -4.967 -21.126 3.704 1.00 0.20 C ATOM 473 CG ARG A 532 -4.377 -21.421 2.353 1.00 1.32 C ATOM 474 CD ARG A 532 -3.043 -22.104 2.515 1.00 32.03 C ATOM 475 NE ARG A 532 -2.472 -22.659 1.285 1.00 74.02 N ATOM 476 CZ ARG A 532 -2.721 -23.875 0.765 1.00 3.20 C ATOM 477 NH1 ARG A 532 -3.675 -24.648 1.260 1.00 22.45 N ATOM 478 NH2 ARG A 532 -2.001 -24.312 -0.248 1.00 21.41 N ATOM 0 H ARG A 532 -4.046 -18.843 2.749 1.00 21.04 H new ATOM 0 HA ARG A 532 -4.985 -19.827 5.373 1.00 42.42 H new ATOM 0 HB2 ARG A 532 -4.858 -22.017 4.323 1.00 0.20 H new ATOM 0 HB3 ARG A 532 -6.036 -20.955 3.577 1.00 0.20 H new ATOM 0 HG2 ARG A 532 -5.054 -22.056 1.782 1.00 1.32 H new ATOM 0 HG3 ARG A 532 -4.256 -20.496 1.789 1.00 1.32 H new ATOM 0 HD2 ARG A 532 -2.335 -21.389 2.934 1.00 32.03 H new ATOM 0 HD3 ARG A 532 -3.151 -22.909 3.242 1.00 32.03 H new ATOM 0 HE ARG A 532 -1.821 -22.065 0.772 1.00 74.02 H new ATOM 0 HH11 ARG A 532 -4.236 -24.325 2.048 1.00 22.45 H new ATOM 0 HH12 ARG A 532 -3.849 -25.567 0.853 1.00 22.45 H new ATOM 0 HH21 ARG A 532 -1.258 -23.729 -0.635 1.00 21.41 H new ATOM 0 HH22 ARG A 532 -2.186 -25.233 -0.645 1.00 21.41 H new ATOM 492 N GLY A 533 -2.225 -19.079 5.026 1.00 64.12 N ATOM 493 CA GLY A 533 -0.845 -19.157 5.352 1.00 63.44 C ATOM 494 C GLY A 533 -0.241 -17.778 5.420 1.00 14.15 C ATOM 495 O GLY A 533 -0.972 -16.786 5.392 1.00 35.55 O ATOM 0 H GLY A 533 -2.567 -18.134 4.851 1.00 64.12 H new ATOM 0 HA2 GLY A 533 -0.719 -19.663 6.309 1.00 63.44 H new ATOM 0 HA3 GLY A 533 -0.322 -19.753 4.605 1.00 63.44 H new ATOM 499 N ASN A 534 1.060 -17.717 5.476 1.00 13.24 N ATOM 500 CA ASN A 534 1.801 -16.470 5.606 1.00 50.42 C ATOM 501 C ASN A 534 2.027 -15.842 4.232 1.00 75.55 C ATOM 502 O ASN A 534 2.400 -16.529 3.283 1.00 45.53 O ATOM 503 CB ASN A 534 3.143 -16.759 6.317 1.00 34.14 C ATOM 504 CG ASN A 534 4.028 -15.541 6.593 1.00 4.21 C ATOM 505 OD1 ASN A 534 5.256 -15.647 6.596 1.00 62.22 O ATOM 506 ND2 ASN A 534 3.443 -14.405 6.861 1.00 60.33 N ATOM 0 H ASN A 534 1.657 -18.543 5.433 1.00 13.24 H new ATOM 0 HA ASN A 534 1.230 -15.758 6.202 1.00 50.42 H new ATOM 0 HB2 ASN A 534 2.931 -17.252 7.266 1.00 34.14 H new ATOM 0 HB3 ASN A 534 3.709 -17.465 5.710 1.00 34.14 H new ATOM 0 HD21 ASN A 534 4.004 -13.581 7.079 1.00 60.33 H new ATOM 0 HD22 ASN A 534 2.425 -14.341 6.853 1.00 60.33 H new ATOM 513 N VAL A 535 1.761 -14.561 4.126 1.00 50.30 N ATOM 514 CA VAL A 535 1.933 -13.816 2.901 1.00 24.13 C ATOM 515 C VAL A 535 2.767 -12.586 3.189 1.00 21.32 C ATOM 516 O VAL A 535 2.446 -11.797 4.079 1.00 13.34 O ATOM 517 CB VAL A 535 0.568 -13.385 2.271 1.00 3.32 C ATOM 518 CG1 VAL A 535 0.769 -12.609 0.963 1.00 12.41 C ATOM 519 CG2 VAL A 535 -0.297 -14.597 2.023 1.00 14.54 C ATOM 0 H VAL A 535 1.413 -13.998 4.902 1.00 50.30 H new ATOM 0 HA VAL A 535 2.432 -14.464 2.181 1.00 24.13 H new ATOM 0 HB VAL A 535 0.070 -12.724 2.980 1.00 3.32 H new ATOM 0 HG11 VAL A 535 -0.201 -12.326 0.555 1.00 12.41 H new ATOM 0 HG12 VAL A 535 1.356 -11.711 1.159 1.00 12.41 H new ATOM 0 HG13 VAL A 535 1.296 -13.237 0.245 1.00 12.41 H new ATOM 0 HG21 VAL A 535 -1.245 -14.284 1.584 1.00 14.54 H new ATOM 0 HG22 VAL A 535 0.214 -15.275 1.339 1.00 14.54 H new ATOM 0 HG23 VAL A 535 -0.486 -15.109 2.967 1.00 14.54 H new ATOM 529 N ILE A 536 3.828 -12.445 2.473 1.00 51.54 N ATOM 530 CA ILE A 536 4.700 -11.323 2.634 1.00 52.24 C ATOM 531 C ILE A 536 4.387 -10.274 1.593 1.00 43.40 C ATOM 532 O ILE A 536 4.283 -10.582 0.399 1.00 62.04 O ATOM 533 CB ILE A 536 6.199 -11.747 2.562 1.00 44.41 C ATOM 534 CG1 ILE A 536 6.627 -12.507 3.832 1.00 24.40 C ATOM 535 CG2 ILE A 536 7.115 -10.569 2.287 1.00 13.14 C ATOM 536 CD1 ILE A 536 6.508 -11.707 5.123 1.00 52.33 C ATOM 0 H ILE A 536 4.121 -13.106 1.754 1.00 51.54 H new ATOM 0 HA ILE A 536 4.531 -10.900 3.624 1.00 52.24 H new ATOM 0 HB ILE A 536 6.297 -12.428 1.716 1.00 44.41 H new ATOM 0 HG12 ILE A 536 6.020 -13.408 3.922 1.00 24.40 H new ATOM 0 HG13 ILE A 536 7.661 -12.830 3.715 1.00 24.40 H new ATOM 0 HG21 ILE A 536 8.148 -10.913 2.246 1.00 13.14 H new ATOM 0 HG22 ILE A 536 6.846 -10.114 1.334 1.00 13.14 H new ATOM 0 HG23 ILE A 536 7.010 -9.832 3.084 1.00 13.14 H new ATOM 0 HD11 ILE A 536 6.831 -12.322 5.963 1.00 52.33 H new ATOM 0 HD12 ILE A 536 7.137 -10.819 5.060 1.00 52.33 H new ATOM 0 HD13 ILE A 536 5.471 -11.407 5.271 1.00 52.33 H new ATOM 548 N VAL A 537 4.178 -9.063 2.043 1.00 14.53 N ATOM 549 CA VAL A 537 3.942 -7.955 1.156 1.00 42.32 C ATOM 550 C VAL A 537 5.069 -6.942 1.329 1.00 50.40 C ATOM 551 O VAL A 537 5.129 -6.247 2.350 1.00 70.52 O ATOM 552 CB VAL A 537 2.580 -7.265 1.430 1.00 73.42 C ATOM 553 CG1 VAL A 537 2.308 -6.169 0.408 1.00 10.44 C ATOM 554 CG2 VAL A 537 1.456 -8.277 1.432 1.00 61.32 C ATOM 0 H VAL A 537 4.167 -8.819 3.033 1.00 14.53 H new ATOM 0 HA VAL A 537 3.914 -8.337 0.135 1.00 42.32 H new ATOM 0 HB VAL A 537 2.631 -6.805 2.417 1.00 73.42 H new ATOM 0 HG11 VAL A 537 1.347 -5.701 0.623 1.00 10.44 H new ATOM 0 HG12 VAL A 537 3.097 -5.418 0.461 1.00 10.44 H new ATOM 0 HG13 VAL A 537 2.285 -6.602 -0.592 1.00 10.44 H new ATOM 0 HG21 VAL A 537 0.511 -7.770 1.626 1.00 61.32 H new ATOM 0 HG22 VAL A 537 1.410 -8.772 0.462 1.00 61.32 H new ATOM 0 HG23 VAL A 537 1.636 -9.019 2.210 1.00 61.32 H new ATOM 564 N PRO A 538 6.010 -6.893 0.387 1.00 33.22 N ATOM 565 CA PRO A 538 7.107 -5.936 0.435 1.00 41.20 C ATOM 566 C PRO A 538 6.609 -4.527 0.132 1.00 4.22 C ATOM 567 O PRO A 538 5.684 -4.346 -0.666 1.00 43.44 O ATOM 568 CB PRO A 538 8.063 -6.420 -0.664 1.00 34.20 C ATOM 569 CG PRO A 538 7.208 -7.181 -1.616 1.00 63.12 C ATOM 570 CD PRO A 538 6.079 -7.760 -0.810 1.00 15.42 C ATOM 0 HA PRO A 538 7.580 -5.886 1.416 1.00 41.20 H new ATOM 0 HB2 PRO A 538 8.552 -5.581 -1.158 1.00 34.20 H new ATOM 0 HB3 PRO A 538 8.851 -7.050 -0.251 1.00 34.20 H new ATOM 0 HG2 PRO A 538 6.828 -6.529 -2.402 1.00 63.12 H new ATOM 0 HG3 PRO A 538 7.780 -7.970 -2.105 1.00 63.12 H new ATOM 0 HD2 PRO A 538 5.142 -7.745 -1.368 1.00 15.42 H new ATOM 0 HD3 PRO A 538 6.273 -8.798 -0.540 1.00 15.42 H new ATOM 578 N TYR A 539 7.178 -3.549 0.776 1.00 62.11 N ATOM 579 CA TYR A 539 6.790 -2.184 0.547 1.00 73.00 C ATOM 580 C TYR A 539 7.991 -1.295 0.681 1.00 21.15 C ATOM 581 O TYR A 539 9.035 -1.729 1.193 1.00 34.41 O ATOM 582 CB TYR A 539 5.691 -1.738 1.535 1.00 2.12 C ATOM 583 CG TYR A 539 6.126 -1.638 2.985 1.00 50.23 C ATOM 584 CD1 TYR A 539 6.650 -0.455 3.496 1.00 63.31 C ATOM 585 CD2 TYR A 539 6.003 -2.713 3.836 1.00 32.44 C ATOM 586 CE1 TYR A 539 7.041 -0.360 4.805 1.00 14.04 C ATOM 587 CE2 TYR A 539 6.393 -2.622 5.153 1.00 1.54 C ATOM 588 CZ TYR A 539 6.909 -1.440 5.631 1.00 43.13 C ATOM 589 OH TYR A 539 7.319 -1.348 6.941 1.00 5.43 O ATOM 0 H TYR A 539 7.917 -3.671 1.468 1.00 62.11 H new ATOM 0 HA TYR A 539 6.383 -2.107 -0.461 1.00 73.00 H new ATOM 0 HB2 TYR A 539 5.313 -0.766 1.218 1.00 2.12 H new ATOM 0 HB3 TYR A 539 4.860 -2.440 1.470 1.00 2.12 H new ATOM 0 HD1 TYR A 539 6.750 0.404 2.849 1.00 63.31 H new ATOM 0 HD2 TYR A 539 5.595 -3.641 3.465 1.00 32.44 H new ATOM 0 HE1 TYR A 539 7.452 0.565 5.183 1.00 14.04 H new ATOM 0 HE2 TYR A 539 6.294 -3.475 5.808 1.00 1.54 H new ATOM 0 HH TYR A 539 8.042 -0.690 7.012 1.00 5.43 H new ATOM 599 N LYS A 540 7.849 -0.068 0.251 1.00 12.45 N ATOM 600 CA LYS A 540 8.902 0.904 0.360 1.00 71.15 C ATOM 601 C LYS A 540 8.322 2.298 0.279 1.00 74.53 C ATOM 602 O LYS A 540 7.202 2.498 -0.237 1.00 32.05 O ATOM 603 CB LYS A 540 9.999 0.715 -0.730 1.00 32.25 C ATOM 604 CG LYS A 540 9.627 1.120 -2.165 1.00 41.44 C ATOM 605 CD LYS A 540 8.459 0.331 -2.720 1.00 33.31 C ATOM 606 CE LYS A 540 8.198 0.670 -4.174 1.00 63.12 C ATOM 607 NZ LYS A 540 9.282 0.198 -5.063 1.00 2.31 N ATOM 0 H LYS A 540 6.997 0.285 -0.185 1.00 12.45 H new ATOM 0 HA LYS A 540 9.383 0.759 1.327 1.00 71.15 H new ATOM 0 HB2 LYS A 540 10.877 1.289 -0.432 1.00 32.25 H new ATOM 0 HB3 LYS A 540 10.292 -0.335 -0.738 1.00 32.25 H new ATOM 0 HG2 LYS A 540 9.383 2.182 -2.185 1.00 41.44 H new ATOM 0 HG3 LYS A 540 10.493 0.980 -2.812 1.00 41.44 H new ATOM 0 HD2 LYS A 540 8.662 -0.736 -2.625 1.00 33.31 H new ATOM 0 HD3 LYS A 540 7.566 0.539 -2.131 1.00 33.31 H new ATOM 0 HE2 LYS A 540 7.254 0.222 -4.486 1.00 63.12 H new ATOM 0 HE3 LYS A 540 8.089 1.749 -4.279 1.00 63.12 H new ATOM 0 HZ1 LYS A 540 8.967 0.251 -6.053 1.00 2.31 H new ATOM 0 HZ2 LYS A 540 10.122 0.798 -4.935 1.00 2.31 H new ATOM 0 HZ3 LYS A 540 9.520 -0.787 -4.828 1.00 2.31 H new ATOM 621 N THR A 541 9.047 3.225 0.808 1.00 1.30 N ATOM 622 CA THR A 541 8.713 4.608 0.749 1.00 55.31 C ATOM 623 C THR A 541 9.380 5.267 -0.446 1.00 51.42 C ATOM 624 O THR A 541 10.608 5.331 -0.517 1.00 43.25 O ATOM 625 CB THR A 541 9.184 5.315 2.031 1.00 33.01 C ATOM 626 OG1 THR A 541 10.487 4.813 2.417 1.00 20.32 O ATOM 627 CG2 THR A 541 8.204 5.120 3.167 1.00 44.32 C ATOM 0 H THR A 541 9.915 3.035 1.309 1.00 1.30 H new ATOM 0 HA THR A 541 7.631 4.694 0.651 1.00 55.31 H new ATOM 0 HB THR A 541 9.246 6.383 1.821 1.00 33.01 H new ATOM 0 HG1 THR A 541 11.150 5.073 1.744 1.00 20.32 H new ATOM 0 HG21 THR A 541 8.570 5.634 4.056 1.00 44.32 H new ATOM 0 HG22 THR A 541 7.234 5.530 2.885 1.00 44.32 H new ATOM 0 HG23 THR A 541 8.100 4.056 3.380 1.00 44.32 H new ATOM 635 N ILE A 542 8.602 5.699 -1.393 1.00 52.22 N ATOM 636 CA ILE A 542 9.141 6.465 -2.483 1.00 63.33 C ATOM 637 C ILE A 542 9.326 7.854 -1.923 1.00 34.52 C ATOM 638 O ILE A 542 8.342 8.464 -1.491 1.00 70.04 O ATOM 639 CB ILE A 542 8.200 6.547 -3.740 1.00 40.02 C ATOM 640 CG1 ILE A 542 7.938 5.179 -4.396 1.00 22.04 C ATOM 641 CG2 ILE A 542 8.756 7.511 -4.776 1.00 31.32 C ATOM 642 CD1 ILE A 542 7.010 4.275 -3.632 1.00 63.44 C ATOM 0 H ILE A 542 7.596 5.537 -1.436 1.00 52.22 H new ATOM 0 HA ILE A 542 10.057 5.992 -2.838 1.00 63.33 H new ATOM 0 HB ILE A 542 7.244 6.916 -3.369 1.00 40.02 H new ATOM 0 HG12 ILE A 542 7.524 5.343 -5.391 1.00 22.04 H new ATOM 0 HG13 ILE A 542 8.892 4.668 -4.528 1.00 22.04 H new ATOM 0 HG21 ILE A 542 8.086 7.549 -5.635 1.00 31.32 H new ATOM 0 HG22 ILE A 542 8.841 8.506 -4.339 1.00 31.32 H new ATOM 0 HG23 ILE A 542 9.740 7.171 -5.098 1.00 31.32 H new ATOM 0 HD11 ILE A 542 6.888 3.337 -4.174 1.00 63.44 H new ATOM 0 HD12 ILE A 542 7.429 4.073 -2.646 1.00 63.44 H new ATOM 0 HD13 ILE A 542 6.040 4.759 -3.522 1.00 63.44 H new ATOM 654 N GLU A 543 10.561 8.324 -1.889 1.00 52.14 N ATOM 655 CA GLU A 543 10.907 9.599 -1.267 1.00 10.53 C ATOM 656 C GLU A 543 10.077 10.755 -1.796 1.00 14.25 C ATOM 657 O GLU A 543 9.612 11.591 -1.018 1.00 20.44 O ATOM 658 CB GLU A 543 12.400 9.884 -1.390 1.00 14.53 C ATOM 659 CG GLU A 543 13.260 8.897 -0.622 1.00 11.10 C ATOM 660 CD GLU A 543 14.730 9.211 -0.703 1.00 40.23 C ATOM 661 OE1 GLU A 543 15.159 10.248 -0.149 1.00 5.20 O ATOM 662 OE2 GLU A 543 15.483 8.436 -1.316 1.00 3.21 O ATOM 0 H GLU A 543 11.359 7.833 -2.293 1.00 52.14 H new ATOM 0 HA GLU A 543 10.665 9.506 -0.208 1.00 10.53 H new ATOM 0 HB2 GLU A 543 12.683 9.861 -2.442 1.00 14.53 H new ATOM 0 HB3 GLU A 543 12.602 10.892 -1.028 1.00 14.53 H new ATOM 0 HG2 GLU A 543 12.952 8.892 0.424 1.00 11.10 H new ATOM 0 HG3 GLU A 543 13.086 7.893 -1.010 1.00 11.10 H new ATOM 669 N GLY A 544 9.888 10.791 -3.103 1.00 63.21 N ATOM 670 CA GLY A 544 9.058 11.804 -3.728 1.00 54.20 C ATOM 671 C GLY A 544 9.660 13.187 -3.616 1.00 62.11 C ATOM 672 O GLY A 544 10.429 13.615 -4.482 1.00 71.51 O ATOM 0 H GLY A 544 10.302 10.125 -3.756 1.00 63.21 H new ATOM 0 HA2 GLY A 544 8.916 11.556 -4.780 1.00 54.20 H new ATOM 0 HA3 GLY A 544 8.072 11.800 -3.263 1.00 54.20 H new ATOM 676 N THR A 545 9.329 13.874 -2.556 1.00 41.40 N ATOM 677 CA THR A 545 9.853 15.185 -2.305 1.00 11.40 C ATOM 678 C THR A 545 10.241 15.327 -0.819 1.00 24.33 C ATOM 679 O THR A 545 10.371 16.429 -0.297 1.00 74.04 O ATOM 680 CB THR A 545 8.853 16.303 -2.774 1.00 22.45 C ATOM 681 OG1 THR A 545 9.368 17.616 -2.497 1.00 5.50 O ATOM 682 CG2 THR A 545 7.482 16.139 -2.138 1.00 44.12 C ATOM 0 H THR A 545 8.685 13.537 -1.840 1.00 41.40 H new ATOM 0 HA THR A 545 10.759 15.319 -2.897 1.00 11.40 H new ATOM 0 HB THR A 545 8.743 16.191 -3.853 1.00 22.45 H new ATOM 0 HG1 THR A 545 9.771 17.628 -1.604 1.00 5.50 H new ATOM 0 HG21 THR A 545 6.821 16.932 -2.489 1.00 44.12 H new ATOM 0 HG22 THR A 545 7.066 15.170 -2.415 1.00 44.12 H new ATOM 0 HG23 THR A 545 7.575 16.197 -1.054 1.00 44.12 H new ATOM 690 N ALA A 546 10.431 14.203 -0.158 1.00 25.32 N ATOM 691 CA ALA A 546 10.894 14.182 1.219 1.00 20.44 C ATOM 692 C ALA A 546 12.216 13.434 1.271 1.00 74.14 C ATOM 693 O ALA A 546 12.589 12.784 0.290 1.00 42.53 O ATOM 694 CB ALA A 546 9.869 13.491 2.103 1.00 50.22 C ATOM 0 H ALA A 546 10.270 13.278 -0.558 1.00 25.32 H new ATOM 0 HA ALA A 546 11.029 15.201 1.582 1.00 20.44 H new ATOM 0 HB1 ALA A 546 10.225 13.480 3.133 1.00 50.22 H new ATOM 0 HB2 ALA A 546 8.923 14.029 2.052 1.00 50.22 H new ATOM 0 HB3 ALA A 546 9.723 12.467 1.759 1.00 50.22 H new ATOM 700 N ARG A 547 12.942 13.533 2.371 1.00 4.00 N ATOM 701 CA ARG A 547 14.192 12.775 2.496 1.00 13.31 C ATOM 702 C ARG A 547 14.011 11.487 3.218 1.00 2.23 C ATOM 703 O ARG A 547 13.735 11.461 4.439 1.00 24.14 O ATOM 704 CB ARG A 547 15.322 13.522 3.156 1.00 15.41 C ATOM 705 CG ARG A 547 16.173 14.368 2.257 1.00 71.23 C ATOM 706 CD ARG A 547 15.440 15.561 1.758 1.00 50.32 C ATOM 707 NE ARG A 547 14.871 16.341 2.863 1.00 40.05 N ATOM 708 CZ ARG A 547 15.200 17.581 3.216 1.00 14.14 C ATOM 709 NH1 ARG A 547 16.118 18.277 2.528 1.00 32.44 N ATOM 710 NH2 ARG A 547 14.604 18.117 4.265 1.00 62.32 N ATOM 0 H ARG A 547 12.703 14.113 3.176 1.00 4.00 H new ATOM 0 HA ARG A 547 14.469 12.593 1.458 1.00 13.31 H new ATOM 0 HB2 ARG A 547 14.902 14.162 3.932 1.00 15.41 H new ATOM 0 HB3 ARG A 547 15.966 12.798 3.655 1.00 15.41 H new ATOM 0 HG2 ARG A 547 17.063 14.689 2.797 1.00 71.23 H new ATOM 0 HG3 ARG A 547 16.512 13.770 1.411 1.00 71.23 H new ATOM 0 HD2 ARG A 547 16.116 16.189 1.178 1.00 50.32 H new ATOM 0 HD3 ARG A 547 14.643 15.245 1.085 1.00 50.32 H new ATOM 0 HE ARG A 547 14.147 15.885 3.419 1.00 40.05 H new ATOM 0 HH11 ARG A 547 16.576 17.857 1.720 1.00 32.44 H new ATOM 0 HH12 ARG A 547 16.357 19.227 2.813 1.00 32.44 H new ATOM 0 HH21 ARG A 547 13.908 17.582 4.785 1.00 62.32 H new ATOM 0 HH22 ARG A 547 14.839 19.066 4.555 1.00 62.32 H new ATOM 724 N GLY A 548 14.206 10.435 2.495 1.00 74.52 N ATOM 725 CA GLY A 548 14.113 9.117 3.040 1.00 53.12 C ATOM 726 C GLY A 548 15.459 8.637 3.445 1.00 72.20 C ATOM 727 O GLY A 548 16.309 8.373 2.599 1.00 5.14 O ATOM 0 H GLY A 548 14.436 10.463 1.502 1.00 74.52 H new ATOM 0 HA2 GLY A 548 13.444 9.117 3.901 1.00 53.12 H new ATOM 0 HA3 GLY A 548 13.683 8.439 2.302 1.00 53.12 H new ATOM 731 N GLY A 549 15.680 8.553 4.718 1.00 53.32 N ATOM 732 CA GLY A 549 16.972 8.137 5.181 1.00 44.53 C ATOM 733 C GLY A 549 17.287 8.649 6.556 1.00 23.44 C ATOM 734 O GLY A 549 18.415 8.525 7.021 1.00 53.14 O ATOM 0 H GLY A 549 14.998 8.762 5.447 1.00 53.32 H new ATOM 0 HA2 GLY A 549 17.019 7.048 5.184 1.00 44.53 H new ATOM 0 HA3 GLY A 549 17.733 8.487 4.484 1.00 44.53 H new ATOM 738 N GLY A 550 16.310 9.238 7.218 1.00 71.20 N ATOM 739 CA GLY A 550 16.552 9.711 8.547 1.00 0.54 C ATOM 740 C GLY A 550 16.595 11.217 8.654 1.00 11.34 C ATOM 741 O GLY A 550 16.908 11.743 9.716 1.00 11.11 O ATOM 0 H GLY A 550 15.367 9.393 6.860 1.00 71.20 H new ATOM 0 HA2 GLY A 550 15.772 9.330 9.207 1.00 0.54 H new ATOM 0 HA3 GLY A 550 17.498 9.303 8.902 1.00 0.54 H new ATOM 745 N GLU A 551 16.307 11.918 7.568 1.00 23.43 N ATOM 746 CA GLU A 551 16.272 13.376 7.619 1.00 51.55 C ATOM 747 C GLU A 551 14.915 13.824 8.111 1.00 23.43 C ATOM 748 O GLU A 551 14.768 14.281 9.242 1.00 3.50 O ATOM 749 CB GLU A 551 16.506 13.985 6.246 1.00 60.33 C ATOM 750 CG GLU A 551 17.799 13.605 5.568 1.00 50.41 C ATOM 751 CD GLU A 551 19.013 14.012 6.359 1.00 3.04 C ATOM 752 OE1 GLU A 551 19.467 15.151 6.219 1.00 61.22 O ATOM 753 OE2 GLU A 551 19.539 13.183 7.135 1.00 63.24 O ATOM 0 H GLU A 551 16.097 11.513 6.656 1.00 23.43 H new ATOM 0 HA GLU A 551 17.063 13.708 8.292 1.00 51.55 H new ATOM 0 HB2 GLU A 551 15.679 13.697 5.596 1.00 60.33 H new ATOM 0 HB3 GLU A 551 16.473 15.070 6.341 1.00 60.33 H new ATOM 0 HG2 GLU A 551 17.818 12.527 5.410 1.00 50.41 H new ATOM 0 HG3 GLU A 551 17.839 14.072 4.584 1.00 50.41 H new ATOM 760 N ASP A 552 13.917 13.638 7.268 1.00 21.24 N ATOM 761 CA ASP A 552 12.566 14.028 7.615 1.00 12.43 C ATOM 762 C ASP A 552 11.809 12.793 8.027 1.00 45.25 C ATOM 763 O ASP A 552 11.031 12.810 8.981 1.00 42.23 O ATOM 764 CB ASP A 552 11.823 14.705 6.437 1.00 12.11 C ATOM 765 CG ASP A 552 12.602 15.802 5.725 1.00 21.52 C ATOM 766 OD1 ASP A 552 12.856 16.914 6.318 1.00 33.32 O ATOM 767 OD2 ASP A 552 12.976 15.582 4.553 1.00 62.12 O ATOM 0 H ASP A 552 14.016 13.221 6.342 1.00 21.24 H new ATOM 0 HA ASP A 552 12.621 14.755 8.425 1.00 12.43 H new ATOM 0 HB2 ASP A 552 11.556 13.939 5.708 1.00 12.11 H new ATOM 0 HB3 ASP A 552 10.891 15.128 6.811 1.00 12.11 H new ATOM 772 N PHE A 553 12.047 11.699 7.322 1.00 23.23 N ATOM 773 CA PHE A 553 11.395 10.474 7.648 1.00 41.11 C ATOM 774 C PHE A 553 12.374 9.330 7.525 1.00 62.31 C ATOM 775 O PHE A 553 13.448 9.455 6.875 1.00 64.54 O ATOM 776 CB PHE A 553 10.144 10.226 6.776 1.00 54.25 C ATOM 777 CG PHE A 553 10.396 9.773 5.355 1.00 14.13 C ATOM 778 CD1 PHE A 553 10.648 10.676 4.343 1.00 62.53 C ATOM 779 CD2 PHE A 553 10.340 8.427 5.039 1.00 71.12 C ATOM 780 CE1 PHE A 553 10.841 10.239 3.044 1.00 11.13 C ATOM 781 CE2 PHE A 553 10.540 7.990 3.755 1.00 12.30 C ATOM 782 CZ PHE A 553 10.786 8.894 2.752 1.00 43.32 C ATOM 0 H PHE A 553 12.685 11.649 6.528 1.00 23.23 H new ATOM 0 HA PHE A 553 11.047 10.543 8.679 1.00 41.11 H new ATOM 0 HB2 PHE A 553 9.526 9.476 7.270 1.00 54.25 H new ATOM 0 HB3 PHE A 553 9.562 11.147 6.743 1.00 54.25 H new ATOM 0 HD1 PHE A 553 10.695 11.732 4.566 1.00 62.53 H new ATOM 0 HD2 PHE A 553 10.135 7.708 5.818 1.00 71.12 H new ATOM 0 HE1 PHE A 553 11.035 10.954 2.258 1.00 11.13 H new ATOM 0 HE2 PHE A 553 10.504 6.934 3.533 1.00 12.30 H new ATOM 0 HZ PHE A 553 10.936 8.552 1.738 1.00 43.32 H new ATOM 792 N GLU A 554 12.032 8.257 8.148 1.00 72.40 N ATOM 793 CA GLU A 554 12.813 7.063 8.142 1.00 55.44 C ATOM 794 C GLU A 554 12.349 6.240 6.935 1.00 40.51 C ATOM 795 O GLU A 554 11.159 5.914 6.825 1.00 43.21 O ATOM 796 CB GLU A 554 12.535 6.347 9.474 1.00 42.50 C ATOM 797 CG GLU A 554 13.538 5.302 9.941 1.00 3.13 C ATOM 798 CD GLU A 554 13.621 4.060 9.096 1.00 60.21 C ATOM 799 OE1 GLU A 554 14.434 4.022 8.175 1.00 50.14 O ATOM 800 OE2 GLU A 554 12.922 3.070 9.399 1.00 54.33 O ATOM 0 H GLU A 554 11.174 8.181 8.694 1.00 72.40 H new ATOM 0 HA GLU A 554 13.886 7.235 8.056 1.00 55.44 H new ATOM 0 HB2 GLU A 554 12.456 7.106 10.252 1.00 42.50 H new ATOM 0 HB3 GLU A 554 11.560 5.865 9.398 1.00 42.50 H new ATOM 0 HG2 GLU A 554 14.525 5.762 9.977 1.00 3.13 H new ATOM 0 HG3 GLU A 554 13.285 5.011 10.960 1.00 3.13 H new ATOM 807 N ASP A 555 13.268 5.978 6.014 1.00 22.02 N ATOM 808 CA ASP A 555 12.975 5.235 4.780 1.00 0.25 C ATOM 809 C ASP A 555 12.634 3.806 5.117 1.00 54.34 C ATOM 810 O ASP A 555 13.517 2.995 5.422 1.00 73.55 O ATOM 811 CB ASP A 555 14.179 5.281 3.816 1.00 73.21 C ATOM 812 CG ASP A 555 13.960 4.510 2.513 1.00 60.12 C ATOM 813 OD1 ASP A 555 13.403 5.087 1.559 1.00 60.20 O ATOM 814 OD2 ASP A 555 14.376 3.322 2.411 1.00 63.03 O ATOM 0 H ASP A 555 14.241 6.272 6.095 1.00 22.02 H new ATOM 0 HA ASP A 555 12.124 5.702 4.285 1.00 0.25 H new ATOM 0 HB2 ASP A 555 14.402 6.321 3.578 1.00 73.21 H new ATOM 0 HB3 ASP A 555 15.054 4.876 4.324 1.00 73.21 H new ATOM 819 N THR A 556 11.377 3.500 5.104 1.00 72.03 N ATOM 820 CA THR A 556 10.951 2.205 5.475 1.00 34.55 C ATOM 821 C THR A 556 10.651 1.362 4.244 1.00 31.41 C ATOM 822 O THR A 556 9.733 1.631 3.456 1.00 62.31 O ATOM 823 CB THR A 556 9.780 2.226 6.514 1.00 43.11 C ATOM 824 OG1 THR A 556 9.457 0.904 6.967 1.00 33.35 O ATOM 825 CG2 THR A 556 8.538 2.892 5.970 1.00 64.34 C ATOM 0 H THR A 556 10.629 4.140 4.837 1.00 72.03 H new ATOM 0 HA THR A 556 11.777 1.723 5.998 1.00 34.55 H new ATOM 0 HB THR A 556 10.137 2.816 7.358 1.00 43.11 H new ATOM 0 HG1 THR A 556 8.827 0.960 7.716 1.00 33.35 H new ATOM 0 HG21 THR A 556 7.756 2.880 6.730 1.00 64.34 H new ATOM 0 HG22 THR A 556 8.766 3.923 5.700 1.00 64.34 H new ATOM 0 HG23 THR A 556 8.194 2.354 5.087 1.00 64.34 H new ATOM 833 N CYS A 557 11.485 0.402 4.045 1.00 30.21 N ATOM 834 CA CYS A 557 11.368 -0.517 2.978 1.00 43.23 C ATOM 835 C CYS A 557 11.567 -1.909 3.517 1.00 42.33 C ATOM 836 O CYS A 557 12.697 -2.375 3.711 1.00 62.33 O ATOM 837 CB CYS A 557 12.353 -0.156 1.872 1.00 11.13 C ATOM 838 SG CYS A 557 13.966 0.374 2.489 1.00 31.43 S ATOM 0 H CYS A 557 12.293 0.233 4.644 1.00 30.21 H new ATOM 0 HA CYS A 557 10.375 -0.474 2.531 1.00 43.23 H new ATOM 0 HB2 CYS A 557 12.488 -1.019 1.220 1.00 11.13 H new ATOM 0 HB3 CYS A 557 11.926 0.640 1.262 1.00 11.13 H new ATOM 0 HG CYS A 557 13.945 1.654 2.716 1.00 31.43 H new ATOM 844 N GLY A 558 10.475 -2.554 3.788 1.00 61.04 N ATOM 845 CA GLY A 558 10.500 -3.814 4.417 1.00 21.30 C ATOM 846 C GLY A 558 9.380 -4.653 3.941 1.00 51.15 C ATOM 847 O GLY A 558 8.857 -4.425 2.844 1.00 25.54 O ATOM 0 H GLY A 558 9.540 -2.208 3.573 1.00 61.04 H new ATOM 0 HA2 GLY A 558 11.448 -4.311 4.211 1.00 21.30 H new ATOM 0 HA3 GLY A 558 10.434 -3.689 5.498 1.00 21.30 H new ATOM 851 N GLU A 559 8.961 -5.560 4.757 1.00 3.33 N ATOM 852 CA GLU A 559 7.989 -6.539 4.370 1.00 51.32 C ATOM 853 C GLU A 559 6.904 -6.686 5.424 1.00 21.00 C ATOM 854 O GLU A 559 7.198 -6.940 6.600 1.00 51.03 O ATOM 855 CB GLU A 559 8.720 -7.851 4.186 1.00 23.05 C ATOM 856 CG GLU A 559 9.685 -7.873 3.007 1.00 61.04 C ATOM 857 CD GLU A 559 10.605 -9.057 3.049 1.00 1.21 C ATOM 858 OE1 GLU A 559 10.263 -10.126 2.524 1.00 52.35 O ATOM 859 OE2 GLU A 559 11.696 -8.943 3.640 1.00 51.55 O ATOM 0 H GLU A 559 9.283 -5.648 5.721 1.00 3.33 H new ATOM 0 HA GLU A 559 7.498 -6.231 3.447 1.00 51.32 H new ATOM 0 HB2 GLU A 559 9.274 -8.075 5.098 1.00 23.05 H new ATOM 0 HB3 GLU A 559 7.986 -8.646 4.055 1.00 23.05 H new ATOM 0 HG2 GLU A 559 9.118 -7.889 2.076 1.00 61.04 H new ATOM 0 HG3 GLU A 559 10.275 -6.957 3.006 1.00 61.04 H new ATOM 866 N LEU A 560 5.663 -6.518 5.014 1.00 33.13 N ATOM 867 CA LEU A 560 4.526 -6.690 5.900 1.00 32.11 C ATOM 868 C LEU A 560 4.197 -8.154 6.028 1.00 52.44 C ATOM 869 O LEU A 560 4.131 -8.879 5.016 1.00 12.32 O ATOM 870 CB LEU A 560 3.292 -5.935 5.394 1.00 50.01 C ATOM 871 CG LEU A 560 3.364 -4.412 5.402 1.00 20.23 C ATOM 872 CD1 LEU A 560 2.114 -3.827 4.789 1.00 64.00 C ATOM 873 CD2 LEU A 560 3.543 -3.886 6.818 1.00 43.54 C ATOM 0 H LEU A 560 5.413 -6.259 4.060 1.00 33.13 H new ATOM 0 HA LEU A 560 4.799 -6.280 6.872 1.00 32.11 H new ATOM 0 HB2 LEU A 560 3.091 -6.260 4.373 1.00 50.01 H new ATOM 0 HB3 LEU A 560 2.437 -6.237 5.999 1.00 50.01 H new ATOM 0 HG LEU A 560 4.227 -4.109 4.810 1.00 20.23 H new ATOM 0 HD11 LEU A 560 2.178 -2.739 4.801 1.00 64.00 H new ATOM 0 HD12 LEU A 560 2.017 -4.174 3.760 1.00 64.00 H new ATOM 0 HD13 LEU A 560 1.244 -4.146 5.363 1.00 64.00 H new ATOM 0 HD21 LEU A 560 3.592 -2.797 6.798 1.00 43.54 H new ATOM 0 HD22 LEU A 560 2.699 -4.200 7.432 1.00 43.54 H new ATOM 0 HD23 LEU A 560 4.467 -4.283 7.240 1.00 43.54 H new ATOM 885 N GLU A 561 4.000 -8.592 7.242 1.00 62.21 N ATOM 886 CA GLU A 561 3.703 -9.968 7.504 1.00 72.23 C ATOM 887 C GLU A 561 2.196 -10.199 7.646 1.00 5.05 C ATOM 888 O GLU A 561 1.604 -9.921 8.694 1.00 63.33 O ATOM 889 CB GLU A 561 4.456 -10.458 8.757 1.00 34.24 C ATOM 890 CG GLU A 561 4.231 -11.929 9.078 1.00 41.41 C ATOM 891 CD GLU A 561 5.000 -12.400 10.287 1.00 74.32 C ATOM 892 OE1 GLU A 561 4.525 -12.211 11.422 1.00 73.23 O ATOM 893 OE2 GLU A 561 6.092 -12.982 10.115 1.00 61.11 O ATOM 0 H GLU A 561 4.041 -8.003 8.074 1.00 62.21 H new ATOM 0 HA GLU A 561 4.044 -10.551 6.649 1.00 72.23 H new ATOM 0 HB2 GLU A 561 5.523 -10.286 8.617 1.00 34.24 H new ATOM 0 HB3 GLU A 561 4.146 -9.858 9.613 1.00 34.24 H new ATOM 0 HG2 GLU A 561 3.167 -12.099 9.244 1.00 41.41 H new ATOM 0 HG3 GLU A 561 4.519 -12.530 8.216 1.00 41.41 H new ATOM 900 N PHE A 562 1.583 -10.649 6.584 1.00 11.40 N ATOM 901 CA PHE A 562 0.199 -11.067 6.627 1.00 20.24 C ATOM 902 C PHE A 562 0.196 -12.549 6.794 1.00 10.30 C ATOM 903 O PHE A 562 1.117 -13.213 6.365 1.00 1.02 O ATOM 904 CB PHE A 562 -0.555 -10.721 5.349 1.00 13.31 C ATOM 905 CG PHE A 562 -0.880 -9.277 5.160 1.00 64.30 C ATOM 906 CD1 PHE A 562 0.023 -8.418 4.576 1.00 61.21 C ATOM 907 CD2 PHE A 562 -2.122 -8.791 5.533 1.00 71.55 C ATOM 908 CE1 PHE A 562 -0.300 -7.097 4.357 1.00 24.14 C ATOM 909 CE2 PHE A 562 -2.448 -7.471 5.324 1.00 60.21 C ATOM 910 CZ PHE A 562 -1.536 -6.624 4.731 1.00 50.42 C ATOM 0 H PHE A 562 2.022 -10.738 5.668 1.00 11.40 H new ATOM 0 HA PHE A 562 -0.299 -10.549 7.447 1.00 20.24 H new ATOM 0 HB2 PHE A 562 0.038 -11.056 4.498 1.00 13.31 H new ATOM 0 HB3 PHE A 562 -1.485 -11.289 5.333 1.00 13.31 H new ATOM 0 HD1 PHE A 562 0.997 -8.784 4.286 1.00 61.21 H new ATOM 0 HD2 PHE A 562 -2.841 -9.454 5.992 1.00 71.55 H new ATOM 0 HE1 PHE A 562 0.416 -6.434 3.893 1.00 24.14 H new ATOM 0 HE2 PHE A 562 -3.417 -7.099 5.624 1.00 60.21 H new ATOM 0 HZ PHE A 562 -1.792 -5.589 4.560 1.00 50.42 H new ATOM 920 N GLN A 563 -0.795 -13.081 7.405 1.00 34.31 N ATOM 921 CA GLN A 563 -0.841 -14.497 7.633 1.00 12.10 C ATOM 922 C GLN A 563 -2.249 -14.965 7.823 1.00 71.31 C ATOM 923 O GLN A 563 -3.161 -14.147 7.901 1.00 24.34 O ATOM 924 CB GLN A 563 0.095 -14.919 8.789 1.00 62.20 C ATOM 925 CG GLN A 563 0.101 -13.952 9.956 1.00 13.32 C ATOM 926 CD GLN A 563 0.906 -14.408 11.152 1.00 1.34 C ATOM 927 OE1 GLN A 563 0.588 -14.040 12.280 1.00 12.12 O ATOM 928 NE2 GLN A 563 1.936 -15.185 10.937 1.00 72.11 N ATOM 0 H GLN A 563 -1.597 -12.563 7.763 1.00 34.31 H new ATOM 0 HA GLN A 563 -0.462 -14.997 6.741 1.00 12.10 H new ATOM 0 HB2 GLN A 563 -0.206 -15.904 9.147 1.00 62.20 H new ATOM 0 HB3 GLN A 563 1.110 -15.016 8.405 1.00 62.20 H new ATOM 0 HG2 GLN A 563 0.494 -12.995 9.614 1.00 13.32 H new ATOM 0 HG3 GLN A 563 -0.928 -13.780 10.272 1.00 13.32 H new ATOM 0 HE21 GLN A 563 2.170 -15.470 9.986 1.00 72.11 H new ATOM 0 HE22 GLN A 563 2.505 -15.506 11.720 1.00 72.11 H new ATOM 937 N ASN A 564 -2.413 -16.268 7.890 1.00 13.31 N ATOM 938 CA ASN A 564 -3.711 -16.941 8.015 1.00 31.44 C ATOM 939 C ASN A 564 -4.511 -16.371 9.175 1.00 61.41 C ATOM 940 O ASN A 564 -5.678 -15.995 9.026 1.00 62.02 O ATOM 941 CB ASN A 564 -3.461 -18.435 8.245 1.00 55.03 C ATOM 942 CG ASN A 564 -4.717 -19.263 8.414 1.00 34.12 C ATOM 943 OD1 ASN A 564 -5.751 -18.986 7.827 1.00 15.32 O ATOM 944 ND2 ASN A 564 -4.631 -20.275 9.224 1.00 52.41 N ATOM 0 H ASN A 564 -1.629 -16.919 7.859 1.00 13.31 H new ATOM 0 HA ASN A 564 -4.286 -16.785 7.102 1.00 31.44 H new ATOM 0 HB2 ASN A 564 -2.892 -18.829 7.403 1.00 55.03 H new ATOM 0 HB3 ASN A 564 -2.840 -18.554 9.133 1.00 55.03 H new ATOM 0 HD21 ASN A 564 -5.444 -20.869 9.387 1.00 52.41 H new ATOM 0 HD22 ASN A 564 -3.750 -20.476 9.697 1.00 52.41 H new ATOM 951 N ASP A 565 -3.849 -16.238 10.290 1.00 34.34 N ATOM 952 CA ASP A 565 -4.476 -15.756 11.533 1.00 63.15 C ATOM 953 C ASP A 565 -4.417 -14.242 11.713 1.00 33.44 C ATOM 954 O ASP A 565 -4.820 -13.734 12.749 1.00 45.20 O ATOM 955 CB ASP A 565 -3.894 -16.443 12.780 1.00 75.21 C ATOM 956 CG ASP A 565 -4.333 -17.879 12.937 1.00 44.33 C ATOM 957 OD1 ASP A 565 -5.482 -18.119 13.368 1.00 21.24 O ATOM 958 OD2 ASP A 565 -3.534 -18.801 12.678 1.00 53.23 O ATOM 0 H ASP A 565 -2.857 -16.456 10.384 1.00 34.34 H new ATOM 0 HA ASP A 565 -5.526 -16.028 11.427 1.00 63.15 H new ATOM 0 HB2 ASP A 565 -2.806 -16.408 12.730 1.00 75.21 H new ATOM 0 HB3 ASP A 565 -4.191 -15.882 13.666 1.00 75.21 H new ATOM 963 N GLU A 566 -3.923 -13.521 10.739 1.00 34.22 N ATOM 964 CA GLU A 566 -3.812 -12.066 10.870 1.00 74.41 C ATOM 965 C GLU A 566 -4.580 -11.374 9.768 1.00 61.12 C ATOM 966 O GLU A 566 -4.375 -11.682 8.594 1.00 63.44 O ATOM 967 CB GLU A 566 -2.338 -11.635 10.804 1.00 30.51 C ATOM 968 CG GLU A 566 -2.090 -10.125 10.897 1.00 45.15 C ATOM 969 CD GLU A 566 -2.440 -9.498 12.239 1.00 1.05 C ATOM 970 OE1 GLU A 566 -3.063 -10.150 13.097 1.00 52.21 O ATOM 971 OE2 GLU A 566 -2.085 -8.326 12.455 1.00 4.10 O ATOM 0 H GLU A 566 -3.591 -13.899 9.852 1.00 34.22 H new ATOM 0 HA GLU A 566 -4.232 -11.781 11.835 1.00 74.41 H new ATOM 0 HB2 GLU A 566 -1.797 -12.125 11.613 1.00 30.51 H new ATOM 0 HB3 GLU A 566 -1.912 -11.999 9.869 1.00 30.51 H new ATOM 0 HG2 GLU A 566 -1.039 -9.931 10.685 1.00 45.15 H new ATOM 0 HG3 GLU A 566 -2.669 -9.628 10.119 1.00 45.15 H new ATOM 978 N ILE A 567 -5.466 -10.466 10.125 1.00 3.22 N ATOM 979 CA ILE A 567 -6.157 -9.677 9.132 1.00 60.13 C ATOM 980 C ILE A 567 -5.696 -8.250 9.224 1.00 62.31 C ATOM 981 O ILE A 567 -5.209 -7.830 10.290 1.00 72.32 O ATOM 982 CB ILE A 567 -7.691 -9.689 9.250 1.00 30.45 C ATOM 983 CG1 ILE A 567 -8.166 -8.968 10.514 1.00 14.24 C ATOM 984 CG2 ILE A 567 -8.190 -11.111 9.230 1.00 22.31 C ATOM 985 CD1 ILE A 567 -9.495 -8.289 10.326 1.00 30.32 C ATOM 0 H ILE A 567 -5.722 -10.259 11.090 1.00 3.22 H new ATOM 0 HA ILE A 567 -5.911 -10.136 8.174 1.00 60.13 H new ATOM 0 HB ILE A 567 -8.103 -9.150 8.397 1.00 30.45 H new ATOM 0 HG12 ILE A 567 -8.241 -9.686 11.331 1.00 14.24 H new ATOM 0 HG13 ILE A 567 -7.422 -8.228 10.807 1.00 14.24 H new ATOM 0 HG21 ILE A 567 -9.277 -11.116 9.314 1.00 22.31 H new ATOM 0 HG22 ILE A 567 -7.896 -11.587 8.294 1.00 22.31 H new ATOM 0 HG23 ILE A 567 -7.759 -11.660 10.067 1.00 22.31 H new ATOM 0 HD11 ILE A 567 -9.785 -7.793 11.253 1.00 30.32 H new ATOM 0 HD12 ILE A 567 -9.417 -7.550 9.528 1.00 30.32 H new ATOM 0 HD13 ILE A 567 -10.248 -9.031 10.061 1.00 30.32 H new ATOM 997 N VAL A 568 -5.913 -7.503 8.127 1.00 73.03 N ATOM 998 CA VAL A 568 -5.497 -6.093 7.938 1.00 42.32 C ATOM 999 C VAL A 568 -3.981 -5.888 8.293 1.00 34.45 C ATOM 1000 O VAL A 568 -3.288 -6.839 8.678 1.00 41.42 O ATOM 1001 CB VAL A 568 -6.447 -5.103 8.739 1.00 2.11 C ATOM 1002 CG1 VAL A 568 -6.046 -4.907 10.190 1.00 21.34 C ATOM 1003 CG2 VAL A 568 -6.625 -3.776 8.036 1.00 52.51 C ATOM 0 H VAL A 568 -6.402 -7.875 7.313 1.00 73.03 H new ATOM 0 HA VAL A 568 -5.604 -5.849 6.881 1.00 42.32 H new ATOM 0 HB VAL A 568 -7.416 -5.602 8.756 1.00 2.11 H new ATOM 0 HG11 VAL A 568 -6.742 -4.219 10.670 1.00 21.34 H new ATOM 0 HG12 VAL A 568 -6.070 -5.866 10.707 1.00 21.34 H new ATOM 0 HG13 VAL A 568 -5.038 -4.495 10.236 1.00 21.34 H new ATOM 0 HG21 VAL A 568 -7.283 -3.137 8.625 1.00 52.51 H new ATOM 0 HG22 VAL A 568 -5.655 -3.292 7.922 1.00 52.51 H new ATOM 0 HG23 VAL A 568 -7.066 -3.941 7.053 1.00 52.51 H new ATOM 1013 N LYS A 569 -3.452 -4.702 8.102 1.00 0.41 N ATOM 1014 CA LYS A 569 -2.094 -4.423 8.535 1.00 61.44 C ATOM 1015 C LYS A 569 -1.889 -2.937 8.513 1.00 33.23 C ATOM 1016 O LYS A 569 -2.724 -2.207 7.970 1.00 21.31 O ATOM 1017 CB LYS A 569 -1.051 -5.109 7.636 1.00 62.04 C ATOM 1018 CG LYS A 569 0.342 -5.402 8.260 1.00 73.40 C ATOM 1019 CD LYS A 569 0.308 -6.448 9.411 1.00 33.31 C ATOM 1020 CE LYS A 569 0.103 -5.826 10.802 1.00 62.23 C ATOM 1021 NZ LYS A 569 0.056 -6.845 11.881 1.00 33.44 N ATOM 0 H LYS A 569 -3.931 -3.920 7.655 1.00 0.41 H new ATOM 0 HA LYS A 569 -1.959 -4.819 9.542 1.00 61.44 H new ATOM 0 HB2 LYS A 569 -1.472 -6.053 7.290 1.00 62.04 H new ATOM 0 HB3 LYS A 569 -0.902 -4.485 6.755 1.00 62.04 H new ATOM 0 HG2 LYS A 569 1.012 -5.758 7.478 1.00 73.40 H new ATOM 0 HG3 LYS A 569 0.762 -4.471 8.640 1.00 73.40 H new ATOM 0 HD2 LYS A 569 -0.494 -7.161 9.219 1.00 33.31 H new ATOM 0 HD3 LYS A 569 1.242 -7.010 9.408 1.00 33.31 H new ATOM 0 HE2 LYS A 569 0.912 -5.124 11.005 1.00 62.23 H new ATOM 0 HE3 LYS A 569 -0.825 -5.254 10.807 1.00 62.23 H new ATOM 0 HZ1 LYS A 569 0.482 -6.455 12.746 1.00 33.44 H new ATOM 0 HZ2 LYS A 569 -0.933 -7.106 12.069 1.00 33.44 H new ATOM 0 HZ3 LYS A 569 0.587 -7.689 11.585 1.00 33.44 H new ATOM 1035 N THR A 570 -0.818 -2.495 9.100 1.00 44.20 N ATOM 1036 CA THR A 570 -0.469 -1.118 9.149 1.00 34.20 C ATOM 1037 C THR A 570 0.981 -0.939 8.763 1.00 51.13 C ATOM 1038 O THR A 570 1.832 -1.773 9.116 1.00 20.00 O ATOM 1039 CB THR A 570 -0.666 -0.570 10.575 1.00 64.12 C ATOM 1040 OG1 THR A 570 -0.163 -1.526 11.532 1.00 71.40 O ATOM 1041 CG2 THR A 570 -2.121 -0.250 10.862 1.00 11.33 C ATOM 0 H THR A 570 -0.148 -3.104 9.569 1.00 44.20 H new ATOM 0 HA THR A 570 -1.110 -0.577 8.453 1.00 34.20 H new ATOM 0 HB THR A 570 -0.108 0.363 10.660 1.00 64.12 H new ATOM 0 HG1 THR A 570 -0.287 -1.177 12.439 1.00 71.40 H new ATOM 0 HG21 THR A 570 -2.216 0.134 11.878 1.00 11.33 H new ATOM 0 HG22 THR A 570 -2.474 0.501 10.156 1.00 11.33 H new ATOM 0 HG23 THR A 570 -2.720 -1.155 10.759 1.00 11.33 H new ATOM 1049 N ILE A 571 1.263 0.074 7.988 1.00 4.54 N ATOM 1050 CA ILE A 571 2.638 0.436 7.745 1.00 30.51 C ATOM 1051 C ILE A 571 3.013 1.438 8.804 1.00 13.31 C ATOM 1052 O ILE A 571 2.384 2.483 8.895 1.00 1.21 O ATOM 1053 CB ILE A 571 2.925 1.077 6.331 1.00 32.03 C ATOM 1054 CG1 ILE A 571 2.701 0.098 5.177 1.00 20.11 C ATOM 1055 CG2 ILE A 571 4.350 1.590 6.259 1.00 74.23 C ATOM 1056 CD1 ILE A 571 1.273 -0.179 4.858 1.00 53.33 C ATOM 0 H ILE A 571 0.571 0.658 7.518 1.00 4.54 H new ATOM 0 HA ILE A 571 3.223 -0.483 7.772 1.00 30.51 H new ATOM 0 HB ILE A 571 2.216 1.898 6.222 1.00 32.03 H new ATOM 0 HG12 ILE A 571 3.187 0.493 4.285 1.00 20.11 H new ATOM 0 HG13 ILE A 571 3.194 -0.844 5.418 1.00 20.11 H new ATOM 0 HG21 ILE A 571 4.530 2.028 5.277 1.00 74.23 H new ATOM 0 HG22 ILE A 571 4.503 2.347 7.028 1.00 74.23 H new ATOM 0 HG23 ILE A 571 5.043 0.764 6.420 1.00 74.23 H new ATOM 0 HD11 ILE A 571 1.216 -0.883 4.028 1.00 53.33 H new ATOM 0 HD12 ILE A 571 0.782 -0.607 5.732 1.00 53.33 H new ATOM 0 HD13 ILE A 571 0.775 0.750 4.581 1.00 53.33 H new ATOM 1068 N SER A 572 3.957 1.096 9.632 1.00 33.54 N ATOM 1069 CA SER A 572 4.430 1.996 10.632 1.00 74.03 C ATOM 1070 C SER A 572 5.673 2.733 10.124 1.00 13.33 C ATOM 1071 O SER A 572 6.729 2.127 9.904 1.00 34.51 O ATOM 1072 CB SER A 572 4.690 1.227 11.936 1.00 21.31 C ATOM 1073 OG SER A 572 5.467 0.057 11.705 1.00 63.12 O ATOM 0 H SER A 572 4.417 0.186 9.630 1.00 33.54 H new ATOM 0 HA SER A 572 3.675 2.753 10.846 1.00 74.03 H new ATOM 0 HB2 SER A 572 5.207 1.874 12.645 1.00 21.31 H new ATOM 0 HB3 SER A 572 3.740 0.950 12.392 1.00 21.31 H new ATOM 0 HG SER A 572 6.156 0.249 11.035 1.00 63.12 H new ATOM 1079 N VAL A 573 5.528 4.015 9.881 1.00 41.42 N ATOM 1080 CA VAL A 573 6.629 4.824 9.381 1.00 53.23 C ATOM 1081 C VAL A 573 7.099 5.748 10.475 1.00 1.04 C ATOM 1082 O VAL A 573 6.279 6.401 11.132 1.00 54.12 O ATOM 1083 CB VAL A 573 6.226 5.676 8.142 1.00 32.24 C ATOM 1084 CG1 VAL A 573 7.417 6.468 7.594 1.00 34.11 C ATOM 1085 CG2 VAL A 573 5.630 4.806 7.058 1.00 44.14 C ATOM 0 H VAL A 573 4.657 4.527 10.020 1.00 41.42 H new ATOM 0 HA VAL A 573 7.422 4.143 9.073 1.00 53.23 H new ATOM 0 HB VAL A 573 5.470 6.389 8.470 1.00 32.24 H new ATOM 0 HG11 VAL A 573 7.099 7.051 6.730 1.00 34.11 H new ATOM 0 HG12 VAL A 573 7.794 7.139 8.366 1.00 34.11 H new ATOM 0 HG13 VAL A 573 8.206 5.778 7.296 1.00 34.11 H new ATOM 0 HG21 VAL A 573 5.357 5.425 6.204 1.00 44.14 H new ATOM 0 HG22 VAL A 573 6.362 4.060 6.747 1.00 44.14 H new ATOM 0 HG23 VAL A 573 4.741 4.304 7.441 1.00 44.14 H new ATOM 1095 N LYS A 574 8.394 5.797 10.677 1.00 63.50 N ATOM 1096 CA LYS A 574 8.969 6.652 11.674 1.00 61.43 C ATOM 1097 C LYS A 574 9.222 8.037 11.104 1.00 44.24 C ATOM 1098 O LYS A 574 9.947 8.200 10.114 1.00 71.11 O ATOM 1099 CB LYS A 574 10.261 6.022 12.239 1.00 52.01 C ATOM 1100 CG LYS A 574 11.079 6.924 13.163 1.00 11.21 C ATOM 1101 CD LYS A 574 10.332 7.318 14.425 1.00 62.02 C ATOM 1102 CE LYS A 574 11.149 8.307 15.250 1.00 50.24 C ATOM 1103 NZ LYS A 574 12.436 7.743 15.702 1.00 75.14 N ATOM 0 H LYS A 574 9.073 5.245 10.153 1.00 63.50 H new ATOM 0 HA LYS A 574 8.265 6.760 12.499 1.00 61.43 H new ATOM 0 HB2 LYS A 574 9.995 5.117 12.785 1.00 52.01 H new ATOM 0 HB3 LYS A 574 10.892 5.717 11.404 1.00 52.01 H new ATOM 0 HG2 LYS A 574 12.001 6.412 13.439 1.00 11.21 H new ATOM 0 HG3 LYS A 574 11.365 7.825 12.621 1.00 11.21 H new ATOM 0 HD2 LYS A 574 9.372 7.763 14.161 1.00 62.02 H new ATOM 0 HD3 LYS A 574 10.119 6.430 15.020 1.00 62.02 H new ATOM 0 HE2 LYS A 574 11.337 9.201 14.656 1.00 50.24 H new ATOM 0 HE3 LYS A 574 10.568 8.617 16.118 1.00 50.24 H new ATOM 0 HZ1 LYS A 574 12.873 8.386 16.393 1.00 75.14 H new ATOM 0 HZ2 LYS A 574 12.272 6.817 16.146 1.00 75.14 H new ATOM 0 HZ3 LYS A 574 13.071 7.628 14.886 1.00 75.14 H new ATOM 1117 N VAL A 575 8.595 9.012 11.697 1.00 64.43 N ATOM 1118 CA VAL A 575 8.809 10.386 11.333 1.00 55.20 C ATOM 1119 C VAL A 575 9.945 10.894 12.200 1.00 24.11 C ATOM 1120 O VAL A 575 9.965 10.649 13.409 1.00 24.54 O ATOM 1121 CB VAL A 575 7.530 11.241 11.541 1.00 71.11 C ATOM 1122 CG1 VAL A 575 7.756 12.683 11.107 1.00 15.52 C ATOM 1123 CG2 VAL A 575 6.359 10.636 10.776 1.00 34.44 C ATOM 0 H VAL A 575 7.919 8.878 12.449 1.00 64.43 H new ATOM 0 HA VAL A 575 9.056 10.464 10.274 1.00 55.20 H new ATOM 0 HB VAL A 575 7.294 11.242 12.605 1.00 71.11 H new ATOM 0 HG11 VAL A 575 6.843 13.258 11.264 1.00 15.52 H new ATOM 0 HG12 VAL A 575 8.564 13.118 11.695 1.00 15.52 H new ATOM 0 HG13 VAL A 575 8.023 12.707 10.050 1.00 15.52 H new ATOM 0 HG21 VAL A 575 5.469 11.246 10.931 1.00 34.44 H new ATOM 0 HG22 VAL A 575 6.596 10.604 9.713 1.00 34.44 H new ATOM 0 HG23 VAL A 575 6.173 9.624 11.136 1.00 34.44 H new ATOM 1133 N ILE A 576 10.886 11.552 11.603 1.00 5.21 N ATOM 1134 CA ILE A 576 12.082 11.970 12.298 1.00 64.11 C ATOM 1135 C ILE A 576 11.895 13.393 12.802 1.00 13.30 C ATOM 1136 O ILE A 576 11.062 14.137 12.260 1.00 21.42 O ATOM 1137 CB ILE A 576 13.311 11.907 11.327 1.00 24.03 C ATOM 1138 CG1 ILE A 576 13.408 10.519 10.668 1.00 62.44 C ATOM 1139 CG2 ILE A 576 14.620 12.242 12.044 1.00 34.30 C ATOM 1140 CD1 ILE A 576 13.622 9.380 11.627 1.00 23.13 C ATOM 0 H ILE A 576 10.856 11.820 10.619 1.00 5.21 H new ATOM 0 HA ILE A 576 12.265 11.305 13.142 1.00 64.11 H new ATOM 0 HB ILE A 576 13.153 12.659 10.554 1.00 24.03 H new ATOM 0 HG12 ILE A 576 12.493 10.335 10.105 1.00 62.44 H new ATOM 0 HG13 ILE A 576 14.228 10.530 9.950 1.00 62.44 H new ATOM 0 HG21 ILE A 576 15.447 12.187 11.336 1.00 34.30 H new ATOM 0 HG22 ILE A 576 14.562 13.249 12.456 1.00 34.30 H new ATOM 0 HG23 ILE A 576 14.786 11.529 12.851 1.00 34.30 H new ATOM 0 HD11 ILE A 576 13.678 8.443 11.073 1.00 23.13 H new ATOM 0 HD12 ILE A 576 14.553 9.534 12.173 1.00 23.13 H new ATOM 0 HD13 ILE A 576 12.791 9.336 12.331 1.00 23.13 H new ATOM 1152 N ASP A 577 12.596 13.746 13.874 1.00 72.51 N ATOM 1153 CA ASP A 577 12.619 15.112 14.360 1.00 22.00 C ATOM 1154 C ASP A 577 13.212 16.000 13.280 1.00 32.51 C ATOM 1155 O ASP A 577 14.407 15.957 12.987 1.00 50.31 O ATOM 1156 CB ASP A 577 13.345 15.249 15.725 1.00 1.44 C ATOM 1157 CG ASP A 577 14.755 14.704 15.756 1.00 54.13 C ATOM 1158 OD1 ASP A 577 14.921 13.461 15.867 1.00 63.25 O ATOM 1159 OD2 ASP A 577 15.723 15.488 15.713 1.00 53.53 O ATOM 0 H ASP A 577 13.158 13.096 14.423 1.00 72.51 H new ATOM 0 HA ASP A 577 11.599 15.438 14.562 1.00 22.00 H new ATOM 0 HB2 ASP A 577 13.373 16.303 16.001 1.00 1.44 H new ATOM 0 HB3 ASP A 577 12.756 14.736 16.486 1.00 1.44 H new ATOM 1164 N ASP A 578 12.334 16.750 12.669 1.00 45.24 N ATOM 1165 CA ASP A 578 12.603 17.532 11.463 1.00 43.34 C ATOM 1166 C ASP A 578 13.665 18.602 11.674 1.00 25.35 C ATOM 1167 O ASP A 578 13.716 19.231 12.726 1.00 70.31 O ATOM 1168 CB ASP A 578 11.304 18.158 10.993 1.00 11.54 C ATOM 1169 CG ASP A 578 11.384 18.710 9.612 1.00 32.01 C ATOM 1170 OD1 ASP A 578 12.326 18.416 8.896 1.00 34.11 O ATOM 1171 OD2 ASP A 578 10.461 19.414 9.187 1.00 2.33 O ATOM 0 H ASP A 578 11.374 16.845 12.999 1.00 45.24 H new ATOM 0 HA ASP A 578 13.001 16.858 10.705 1.00 43.34 H new ATOM 0 HB2 ASP A 578 10.512 17.410 11.033 1.00 11.54 H new ATOM 0 HB3 ASP A 578 11.023 18.956 11.680 1.00 11.54 H new ATOM 1176 N GLU A 579 14.494 18.799 10.669 1.00 15.32 N ATOM 1177 CA GLU A 579 15.600 19.735 10.726 1.00 34.20 C ATOM 1178 C GLU A 579 15.095 21.160 10.482 1.00 71.23 C ATOM 1179 O GLU A 579 15.358 22.088 11.258 1.00 4.11 O ATOM 1180 CB GLU A 579 16.659 19.399 9.645 1.00 72.21 C ATOM 1181 CG GLU A 579 16.750 17.923 9.246 1.00 54.54 C ATOM 1182 CD GLU A 579 15.862 17.576 8.057 1.00 23.20 C ATOM 1183 OE1 GLU A 579 14.610 17.703 8.150 1.00 72.03 O ATOM 1184 OE2 GLU A 579 16.388 17.207 7.015 1.00 51.15 O ATOM 0 H GLU A 579 14.418 18.308 9.778 1.00 15.32 H new ATOM 0 HA GLU A 579 16.052 19.660 11.715 1.00 34.20 H new ATOM 0 HB2 GLU A 579 16.440 19.986 8.753 1.00 72.21 H new ATOM 0 HB3 GLU A 579 17.636 19.720 10.006 1.00 72.21 H new ATOM 0 HG2 GLU A 579 17.785 17.680 9.004 1.00 54.54 H new ATOM 0 HG3 GLU A 579 16.468 17.303 10.097 1.00 54.54 H new ATOM 1191 N GLU A 580 14.370 21.322 9.409 1.00 12.32 N ATOM 1192 CA GLU A 580 13.883 22.611 8.990 1.00 20.14 C ATOM 1193 C GLU A 580 12.369 22.553 8.889 1.00 15.44 C ATOM 1194 O GLU A 580 11.744 21.771 9.564 1.00 22.15 O ATOM 1195 CB GLU A 580 14.515 23.011 7.615 1.00 41.10 C ATOM 1196 CG GLU A 580 14.054 22.221 6.363 1.00 11.31 C ATOM 1197 CD GLU A 580 14.483 20.769 6.295 1.00 70.55 C ATOM 1198 OE1 GLU A 580 13.945 19.919 7.053 1.00 64.44 O ATOM 1199 OE2 GLU A 580 15.316 20.432 5.440 1.00 13.43 O ATOM 0 H GLU A 580 14.097 20.556 8.794 1.00 12.32 H new ATOM 0 HA GLU A 580 14.168 23.368 9.721 1.00 20.14 H new ATOM 0 HB2 GLU A 580 14.307 24.067 7.443 1.00 41.10 H new ATOM 0 HB3 GLU A 580 15.597 22.909 7.699 1.00 41.10 H new ATOM 0 HG2 GLU A 580 12.966 22.260 6.314 1.00 11.31 H new ATOM 0 HG3 GLU A 580 14.431 22.732 5.477 1.00 11.31 H new ATOM 1206 N TYR A 581 11.801 23.412 8.105 1.00 4.21 N ATOM 1207 CA TYR A 581 10.399 23.368 7.808 1.00 44.53 C ATOM 1208 C TYR A 581 10.306 23.029 6.329 1.00 73.01 C ATOM 1209 O TYR A 581 11.218 23.365 5.565 1.00 64.32 O ATOM 1210 CB TYR A 581 9.743 24.742 8.061 1.00 43.21 C ATOM 1211 CG TYR A 581 10.139 25.800 7.044 1.00 60.14 C ATOM 1212 CD1 TYR A 581 11.402 26.370 7.059 1.00 54.13 C ATOM 1213 CD2 TYR A 581 9.255 26.193 6.050 1.00 2.42 C ATOM 1214 CE1 TYR A 581 11.773 27.300 6.120 1.00 1.25 C ATOM 1215 CE2 TYR A 581 9.616 27.123 5.109 1.00 71.31 C ATOM 1216 CZ TYR A 581 10.876 27.674 5.145 1.00 13.20 C ATOM 1217 OH TYR A 581 11.239 28.613 4.206 1.00 22.12 O ATOM 0 H TYR A 581 12.300 24.174 7.646 1.00 4.21 H new ATOM 0 HA TYR A 581 9.886 22.640 8.436 1.00 44.53 H new ATOM 0 HB2 TYR A 581 8.659 24.626 8.049 1.00 43.21 H new ATOM 0 HB3 TYR A 581 10.016 25.088 9.058 1.00 43.21 H new ATOM 0 HD1 TYR A 581 12.107 26.077 7.823 1.00 54.13 H new ATOM 0 HD2 TYR A 581 8.266 25.760 6.017 1.00 2.42 H new ATOM 0 HE1 TYR A 581 12.761 27.735 6.146 1.00 1.25 H new ATOM 0 HE2 TYR A 581 8.915 27.421 4.344 1.00 71.31 H new ATOM 0 HH TYR A 581 10.493 28.764 3.589 1.00 22.12 H new ATOM 1227 N GLU A 582 9.281 22.378 5.919 1.00 4.35 N ATOM 1228 CA GLU A 582 9.116 22.096 4.515 1.00 54.12 C ATOM 1229 C GLU A 582 7.759 22.579 4.080 1.00 33.12 C ATOM 1230 O GLU A 582 7.035 23.206 4.863 1.00 64.23 O ATOM 1231 CB GLU A 582 9.242 20.595 4.172 1.00 23.02 C ATOM 1232 CG GLU A 582 10.533 19.883 4.573 1.00 2.44 C ATOM 1233 CD GLU A 582 10.532 19.449 6.008 1.00 53.53 C ATOM 1234 OE1 GLU A 582 9.450 19.401 6.629 1.00 14.44 O ATOM 1235 OE2 GLU A 582 11.580 19.133 6.550 1.00 41.30 O ATOM 0 H GLU A 582 8.538 22.025 6.522 1.00 4.35 H new ATOM 0 HA GLU A 582 9.918 22.613 3.989 1.00 54.12 H new ATOM 0 HB2 GLU A 582 8.410 20.072 4.643 1.00 23.02 H new ATOM 0 HB3 GLU A 582 9.119 20.485 3.095 1.00 23.02 H new ATOM 0 HG2 GLU A 582 10.676 19.012 3.934 1.00 2.44 H new ATOM 0 HG3 GLU A 582 11.379 20.548 4.399 1.00 2.44 H new ATOM 1242 N LYS A 583 7.419 22.291 2.855 1.00 2.32 N ATOM 1243 CA LYS A 583 6.115 22.586 2.319 1.00 10.14 C ATOM 1244 C LYS A 583 5.214 21.414 2.693 1.00 12.44 C ATOM 1245 O LYS A 583 5.496 20.665 3.656 1.00 35.11 O ATOM 1246 CB LYS A 583 6.209 22.684 0.783 1.00 2.05 C ATOM 1247 CG LYS A 583 7.233 23.679 0.265 1.00 14.30 C ATOM 1248 CD LYS A 583 7.293 23.671 -1.253 1.00 54.33 C ATOM 1249 CE LYS A 583 8.369 24.615 -1.781 1.00 31.43 C ATOM 1250 NZ LYS A 583 9.736 24.219 -1.354 1.00 2.14 N ATOM 0 H LYS A 583 8.046 21.839 2.190 1.00 2.32 H new ATOM 0 HA LYS A 583 5.727 23.526 2.710 1.00 10.14 H new ATOM 0 HB2 LYS A 583 6.449 21.698 0.385 1.00 2.05 H new ATOM 0 HB3 LYS A 583 5.229 22.956 0.391 1.00 2.05 H new ATOM 0 HG2 LYS A 583 6.980 24.680 0.616 1.00 14.30 H new ATOM 0 HG3 LYS A 583 8.215 23.438 0.671 1.00 14.30 H new ATOM 0 HD2 LYS A 583 7.493 22.659 -1.604 1.00 54.33 H new ATOM 0 HD3 LYS A 583 6.323 23.962 -1.657 1.00 54.33 H new ATOM 0 HE2 LYS A 583 8.325 24.638 -2.870 1.00 31.43 H new ATOM 0 HE3 LYS A 583 8.162 25.627 -1.432 1.00 31.43 H new ATOM 0 HZ1 LYS A 583 10.440 24.748 -1.908 1.00 2.14 H new ATOM 0 HZ2 LYS A 583 9.859 24.432 -0.343 1.00 2.14 H new ATOM 0 HZ3 LYS A 583 9.867 23.199 -1.512 1.00 2.14 H new ATOM 1264 N ASN A 584 4.154 21.246 1.993 1.00 52.02 N ATOM 1265 CA ASN A 584 3.319 20.095 2.187 1.00 60.45 C ATOM 1266 C ASN A 584 3.906 18.992 1.335 1.00 71.03 C ATOM 1267 O ASN A 584 3.492 18.771 0.210 1.00 64.23 O ATOM 1268 CB ASN A 584 1.867 20.402 1.801 1.00 24.11 C ATOM 1269 CG ASN A 584 1.199 21.404 2.731 1.00 60.33 C ATOM 1270 OD1 ASN A 584 1.329 22.611 2.555 1.00 0.32 O ATOM 1271 ND2 ASN A 584 0.441 20.930 3.688 1.00 35.12 N ATOM 0 H ASN A 584 3.832 21.891 1.271 1.00 52.02 H new ATOM 0 HA ASN A 584 3.294 19.794 3.234 1.00 60.45 H new ATOM 0 HB2 ASN A 584 1.843 20.789 0.782 1.00 24.11 H new ATOM 0 HB3 ASN A 584 1.293 19.475 1.804 1.00 24.11 H new ATOM 0 HD21 ASN A 584 -0.058 21.569 4.307 1.00 35.12 H new ATOM 0 HD22 ASN A 584 0.349 19.922 3.814 1.00 35.12 H new ATOM 1278 N LYS A 585 4.953 18.372 1.852 1.00 32.34 N ATOM 1279 CA LYS A 585 5.702 17.409 1.087 1.00 51.35 C ATOM 1280 C LYS A 585 5.102 16.027 1.257 1.00 14.21 C ATOM 1281 O LYS A 585 4.270 15.817 2.148 1.00 34.44 O ATOM 1282 CB LYS A 585 7.234 17.476 1.423 1.00 11.24 C ATOM 1283 CG LYS A 585 7.822 16.405 2.367 1.00 4.34 C ATOM 1284 CD LYS A 585 7.256 16.403 3.780 1.00 34.43 C ATOM 1285 CE LYS A 585 7.477 17.726 4.500 1.00 64.44 C ATOM 1286 NZ LYS A 585 6.907 17.734 5.862 1.00 35.24 N ATOM 0 H LYS A 585 5.298 18.523 2.800 1.00 32.34 H new ATOM 0 HA LYS A 585 5.628 17.656 0.028 1.00 51.35 H new ATOM 0 HB2 LYS A 585 7.783 17.429 0.483 1.00 11.24 H new ATOM 0 HB3 LYS A 585 7.436 18.453 1.861 1.00 11.24 H new ATOM 0 HG2 LYS A 585 7.655 15.423 1.925 1.00 4.34 H new ATOM 0 HG3 LYS A 585 8.901 16.549 2.425 1.00 4.34 H new ATOM 0 HD2 LYS A 585 6.188 16.189 3.739 1.00 34.43 H new ATOM 0 HD3 LYS A 585 7.720 15.600 4.352 1.00 34.43 H new ATOM 0 HE2 LYS A 585 8.546 17.930 4.557 1.00 64.44 H new ATOM 0 HE3 LYS A 585 7.029 18.531 3.918 1.00 64.44 H new ATOM 0 HZ1 LYS A 585 6.760 18.716 6.171 1.00 35.24 H new ATOM 0 HZ2 LYS A 585 5.996 17.232 5.860 1.00 35.24 H new ATOM 0 HZ3 LYS A 585 7.563 17.260 6.515 1.00 35.24 H new ATOM 1300 N THR A 586 5.516 15.091 0.445 1.00 11.21 N ATOM 1301 CA THR A 586 4.910 13.804 0.456 1.00 61.34 C ATOM 1302 C THR A 586 5.825 12.721 -0.057 1.00 74.24 C ATOM 1303 O THR A 586 6.755 12.969 -0.854 1.00 52.54 O ATOM 1304 CB THR A 586 3.541 13.842 -0.311 1.00 24.20 C ATOM 1305 OG1 THR A 586 2.952 12.549 -0.406 1.00 23.13 O ATOM 1306 CG2 THR A 586 3.662 14.453 -1.701 1.00 4.04 C ATOM 0 H THR A 586 6.272 15.204 -0.230 1.00 11.21 H new ATOM 0 HA THR A 586 4.710 13.542 1.495 1.00 61.34 H new ATOM 0 HB THR A 586 2.890 14.484 0.282 1.00 24.20 H new ATOM 0 HG1 THR A 586 3.085 12.066 0.436 1.00 23.13 H new ATOM 0 HG21 THR A 586 2.685 14.453 -2.185 1.00 4.04 H new ATOM 0 HG22 THR A 586 4.026 15.477 -1.618 1.00 4.04 H new ATOM 0 HG23 THR A 586 4.362 13.867 -2.297 1.00 4.04 H new ATOM 1314 N PHE A 587 5.590 11.555 0.489 1.00 43.22 N ATOM 1315 CA PHE A 587 6.217 10.345 0.118 1.00 73.44 C ATOM 1316 C PHE A 587 5.148 9.338 -0.184 1.00 41.04 C ATOM 1317 O PHE A 587 4.049 9.390 0.403 1.00 62.35 O ATOM 1318 CB PHE A 587 7.210 9.831 1.180 1.00 12.34 C ATOM 1319 CG PHE A 587 6.786 9.883 2.644 1.00 13.15 C ATOM 1320 CD1 PHE A 587 5.821 9.036 3.193 1.00 53.31 C ATOM 1321 CD2 PHE A 587 7.432 10.748 3.483 1.00 60.22 C ATOM 1322 CE1 PHE A 587 5.541 9.080 4.551 1.00 71.43 C ATOM 1323 CE2 PHE A 587 7.144 10.795 4.831 1.00 44.14 C ATOM 1324 CZ PHE A 587 6.204 9.957 5.362 1.00 74.21 C ATOM 0 H PHE A 587 4.916 11.435 1.245 1.00 43.22 H new ATOM 0 HA PHE A 587 6.824 10.521 -0.770 1.00 73.44 H new ATOM 0 HB2 PHE A 587 7.450 8.795 0.939 1.00 12.34 H new ATOM 0 HB3 PHE A 587 8.132 10.404 1.079 1.00 12.34 H new ATOM 0 HD1 PHE A 587 5.290 8.343 2.557 1.00 53.31 H new ATOM 0 HD2 PHE A 587 8.185 11.410 3.081 1.00 60.22 H new ATOM 0 HE1 PHE A 587 4.796 8.419 4.969 1.00 71.43 H new ATOM 0 HE2 PHE A 587 7.663 11.496 5.469 1.00 44.14 H new ATOM 0 HZ PHE A 587 5.986 9.988 6.419 1.00 74.21 H new ATOM 1334 N PHE A 588 5.431 8.455 -1.083 1.00 44.14 N ATOM 1335 CA PHE A 588 4.450 7.511 -1.519 1.00 63.24 C ATOM 1336 C PHE A 588 4.765 6.167 -0.933 1.00 1.43 C ATOM 1337 O PHE A 588 5.902 5.712 -0.990 1.00 61.41 O ATOM 1338 CB PHE A 588 4.431 7.423 -3.049 1.00 22.21 C ATOM 1339 CG PHE A 588 4.423 8.765 -3.720 1.00 2.10 C ATOM 1340 CD1 PHE A 588 3.290 9.555 -3.721 1.00 34.55 C ATOM 1341 CD2 PHE A 588 5.563 9.236 -4.337 1.00 12.55 C ATOM 1342 CE1 PHE A 588 3.298 10.795 -4.326 1.00 14.33 C ATOM 1343 CE2 PHE A 588 5.578 10.470 -4.946 1.00 62.01 C ATOM 1344 CZ PHE A 588 4.444 11.253 -4.939 1.00 4.23 C ATOM 0 H PHE A 588 6.341 8.365 -1.535 1.00 44.14 H new ATOM 0 HA PHE A 588 3.466 7.837 -1.182 1.00 63.24 H new ATOM 0 HB2 PHE A 588 5.303 6.862 -3.385 1.00 22.21 H new ATOM 0 HB3 PHE A 588 3.551 6.862 -3.363 1.00 22.21 H new ATOM 0 HD1 PHE A 588 2.389 9.199 -3.244 1.00 34.55 H new ATOM 0 HD2 PHE A 588 6.456 8.628 -4.342 1.00 12.55 H new ATOM 0 HE1 PHE A 588 2.407 11.406 -4.319 1.00 14.33 H new ATOM 0 HE2 PHE A 588 6.477 10.824 -5.429 1.00 62.01 H new ATOM 0 HZ PHE A 588 4.453 12.223 -5.413 1.00 4.23 H new ATOM 1354 N LEU A 589 3.802 5.555 -0.339 1.00 31.30 N ATOM 1355 CA LEU A 589 3.988 4.243 0.190 1.00 5.45 C ATOM 1356 C LEU A 589 3.440 3.294 -0.847 1.00 71.24 C ATOM 1357 O LEU A 589 2.273 3.399 -1.243 1.00 72.52 O ATOM 1358 CB LEU A 589 3.237 4.076 1.527 1.00 54.45 C ATOM 1359 CG LEU A 589 3.789 3.038 2.532 1.00 34.41 C ATOM 1360 CD1 LEU A 589 3.886 1.636 1.952 1.00 53.34 C ATOM 1361 CD2 LEU A 589 5.123 3.492 3.072 1.00 21.12 C ATOM 0 H LEU A 589 2.868 5.943 -0.205 1.00 31.30 H new ATOM 0 HA LEU A 589 5.040 4.047 0.395 1.00 5.45 H new ATOM 0 HB2 LEU A 589 3.215 5.046 2.024 1.00 54.45 H new ATOM 0 HB3 LEU A 589 2.204 3.810 1.302 1.00 54.45 H new ATOM 0 HG LEU A 589 3.071 2.978 3.350 1.00 34.41 H new ATOM 0 HD11 LEU A 589 4.280 0.956 2.707 1.00 53.34 H new ATOM 0 HD12 LEU A 589 2.896 1.301 1.643 1.00 53.34 H new ATOM 0 HD13 LEU A 589 4.552 1.645 1.089 1.00 53.34 H new ATOM 0 HD21 LEU A 589 5.500 2.752 3.778 1.00 21.12 H new ATOM 0 HD22 LEU A 589 5.830 3.602 2.250 1.00 21.12 H new ATOM 0 HD23 LEU A 589 5.004 4.450 3.579 1.00 21.12 H new ATOM 1373 N GLU A 590 4.261 2.425 -1.322 1.00 50.41 N ATOM 1374 CA GLU A 590 3.840 1.481 -2.302 1.00 40.50 C ATOM 1375 C GLU A 590 4.146 0.094 -1.831 1.00 72.21 C ATOM 1376 O GLU A 590 5.256 -0.182 -1.371 1.00 31.31 O ATOM 1377 CB GLU A 590 4.531 1.750 -3.633 1.00 51.14 C ATOM 1378 CG GLU A 590 4.109 0.827 -4.764 1.00 31.42 C ATOM 1379 CD GLU A 590 4.825 1.136 -6.043 1.00 51.13 C ATOM 1380 OE1 GLU A 590 4.515 2.170 -6.661 1.00 13.44 O ATOM 1381 OE2 GLU A 590 5.714 0.352 -6.462 1.00 72.24 O ATOM 0 H GLU A 590 5.240 2.346 -1.045 1.00 50.41 H new ATOM 0 HA GLU A 590 2.764 1.580 -2.448 1.00 40.50 H new ATOM 0 HB2 GLU A 590 4.332 2.780 -3.929 1.00 51.14 H new ATOM 0 HB3 GLU A 590 5.608 1.661 -3.492 1.00 51.14 H new ATOM 0 HG2 GLU A 590 4.306 -0.207 -4.480 1.00 31.42 H new ATOM 0 HG3 GLU A 590 3.034 0.915 -4.921 1.00 31.42 H new ATOM 1388 N ILE A 591 3.159 -0.744 -1.900 1.00 24.41 N ATOM 1389 CA ILE A 591 3.312 -2.132 -1.606 1.00 32.32 C ATOM 1390 C ILE A 591 3.468 -2.858 -2.931 1.00 73.51 C ATOM 1391 O ILE A 591 2.805 -2.501 -3.925 1.00 25.33 O ATOM 1392 CB ILE A 591 2.112 -2.702 -0.780 1.00 61.03 C ATOM 1393 CG1 ILE A 591 0.769 -2.437 -1.475 1.00 4.14 C ATOM 1394 CG2 ILE A 591 2.110 -2.127 0.637 1.00 1.50 C ATOM 1395 CD1 ILE A 591 -0.437 -2.970 -0.726 1.00 71.25 C ATOM 0 H ILE A 591 2.211 -0.478 -2.166 1.00 24.41 H new ATOM 0 HA ILE A 591 4.191 -2.280 -0.979 1.00 32.32 H new ATOM 0 HB ILE A 591 2.241 -3.782 -0.716 1.00 61.03 H new ATOM 0 HG12 ILE A 591 0.650 -1.362 -1.613 1.00 4.14 H new ATOM 0 HG13 ILE A 591 0.792 -2.885 -2.468 1.00 4.14 H new ATOM 0 HG21 ILE A 591 1.268 -2.536 1.195 1.00 1.50 H new ATOM 0 HG22 ILE A 591 3.041 -2.393 1.139 1.00 1.50 H new ATOM 0 HG23 ILE A 591 2.021 -1.042 0.589 1.00 1.50 H new ATOM 0 HD11 ILE A 591 -1.344 -2.740 -1.286 1.00 71.25 H new ATOM 0 HD12 ILE A 591 -0.346 -4.050 -0.611 1.00 71.25 H new ATOM 0 HD13 ILE A 591 -0.490 -2.503 0.258 1.00 71.25 H new ATOM 1407 N GLY A 592 4.363 -3.798 -2.972 1.00 14.42 N ATOM 1408 CA GLY A 592 4.651 -4.489 -4.192 1.00 71.32 C ATOM 1409 C GLY A 592 3.815 -5.723 -4.376 1.00 43.44 C ATOM 1410 O GLY A 592 2.646 -5.768 -3.979 1.00 65.53 O ATOM 0 H GLY A 592 4.910 -4.106 -2.168 1.00 14.42 H new ATOM 0 HA2 GLY A 592 4.486 -3.815 -5.033 1.00 71.32 H new ATOM 0 HA3 GLY A 592 5.705 -4.765 -4.207 1.00 71.32 H new ATOM 1414 N GLU A 593 4.413 -6.716 -4.967 1.00 72.13 N ATOM 1415 CA GLU A 593 3.761 -7.958 -5.244 1.00 53.11 C ATOM 1416 C GLU A 593 3.808 -8.843 -4.005 1.00 32.12 C ATOM 1417 O GLU A 593 4.902 -9.169 -3.518 1.00 11.30 O ATOM 1418 CB GLU A 593 4.482 -8.662 -6.382 1.00 73.12 C ATOM 1419 CG GLU A 593 3.841 -9.956 -6.823 1.00 63.00 C ATOM 1420 CD GLU A 593 4.744 -10.759 -7.725 1.00 20.43 C ATOM 1421 OE1 GLU A 593 4.752 -10.521 -8.951 1.00 60.51 O ATOM 1422 OE2 GLU A 593 5.479 -11.651 -7.221 1.00 62.31 O ATOM 0 H GLU A 593 5.385 -6.683 -5.275 1.00 72.13 H new ATOM 0 HA GLU A 593 2.724 -7.769 -5.523 1.00 53.11 H new ATOM 0 HB2 GLU A 593 4.533 -7.987 -7.236 1.00 73.12 H new ATOM 0 HB3 GLU A 593 5.508 -8.865 -6.075 1.00 73.12 H new ATOM 0 HG2 GLU A 593 3.585 -10.550 -5.946 1.00 63.00 H new ATOM 0 HG3 GLU A 593 2.909 -9.739 -7.345 1.00 63.00 H new ATOM 1429 N PRO A 594 2.655 -9.223 -3.460 1.00 41.33 N ATOM 1430 CA PRO A 594 2.602 -10.132 -2.329 1.00 62.14 C ATOM 1431 C PRO A 594 3.083 -11.529 -2.725 1.00 11.33 C ATOM 1432 O PRO A 594 2.990 -11.927 -3.887 1.00 14.01 O ATOM 1433 CB PRO A 594 1.125 -10.169 -1.949 1.00 1.04 C ATOM 1434 CG PRO A 594 0.402 -9.727 -3.159 1.00 13.25 C ATOM 1435 CD PRO A 594 1.312 -8.785 -3.886 1.00 32.33 C ATOM 0 HA PRO A 594 3.243 -9.808 -1.509 1.00 62.14 H new ATOM 0 HB2 PRO A 594 0.820 -11.173 -1.653 1.00 1.04 H new ATOM 0 HB3 PRO A 594 0.919 -9.511 -1.105 1.00 1.04 H new ATOM 0 HG2 PRO A 594 0.144 -10.579 -3.788 1.00 13.25 H new ATOM 0 HG3 PRO A 594 -0.533 -9.233 -2.892 1.00 13.25 H new ATOM 0 HD2 PRO A 594 1.188 -8.858 -4.966 1.00 32.33 H new ATOM 0 HD3 PRO A 594 1.120 -7.747 -3.612 1.00 32.33 H new ATOM 1443 N ARG A 595 3.599 -12.257 -1.784 1.00 23.11 N ATOM 1444 CA ARG A 595 4.105 -13.575 -2.053 1.00 42.34 C ATOM 1445 C ARG A 595 3.681 -14.525 -0.960 1.00 64.44 C ATOM 1446 O ARG A 595 3.755 -14.190 0.228 1.00 53.45 O ATOM 1447 CB ARG A 595 5.638 -13.544 -2.227 1.00 74.42 C ATOM 1448 CG ARG A 595 6.395 -12.941 -1.052 1.00 71.11 C ATOM 1449 CD ARG A 595 7.881 -12.803 -1.340 1.00 43.43 C ATOM 1450 NE ARG A 595 8.160 -11.897 -2.464 1.00 31.14 N ATOM 1451 CZ ARG A 595 9.294 -11.195 -2.635 1.00 23.23 C ATOM 1452 NH1 ARG A 595 10.276 -11.261 -1.728 1.00 53.30 N ATOM 1453 NH2 ARG A 595 9.434 -10.426 -3.711 1.00 34.42 N ATOM 0 H ARG A 595 3.683 -11.960 -0.812 1.00 23.11 H new ATOM 0 HA ARG A 595 3.682 -13.936 -2.990 1.00 42.34 H new ATOM 0 HB2 ARG A 595 5.993 -14.562 -2.388 1.00 74.42 H new ATOM 0 HB3 ARG A 595 5.877 -12.977 -3.127 1.00 74.42 H new ATOM 0 HG2 ARG A 595 5.979 -11.961 -0.818 1.00 71.11 H new ATOM 0 HG3 ARG A 595 6.253 -13.566 -0.171 1.00 71.11 H new ATOM 0 HD2 ARG A 595 8.387 -12.435 -0.448 1.00 43.43 H new ATOM 0 HD3 ARG A 595 8.297 -13.786 -1.559 1.00 43.43 H new ATOM 0 HE ARG A 595 7.434 -11.792 -3.172 1.00 31.14 H new ATOM 0 HH11 ARG A 595 10.167 -11.847 -0.900 1.00 53.30 H new ATOM 0 HH12 ARG A 595 11.133 -10.726 -1.865 1.00 53.30 H new ATOM 0 HH21 ARG A 595 8.684 -10.372 -4.400 1.00 34.42 H new ATOM 0 HH22 ARG A 595 10.291 -9.891 -3.847 1.00 34.42 H new ATOM 1467 N LEU A 596 3.193 -15.677 -1.352 1.00 63.34 N ATOM 1468 CA LEU A 596 2.758 -16.667 -0.407 1.00 14.15 C ATOM 1469 C LEU A 596 4.004 -17.357 0.102 1.00 61.42 C ATOM 1470 O LEU A 596 4.852 -17.775 -0.688 1.00 32.32 O ATOM 1471 CB LEU A 596 1.841 -17.708 -1.079 1.00 2.20 C ATOM 1472 CG LEU A 596 0.547 -18.109 -0.337 1.00 33.12 C ATOM 1473 CD1 LEU A 596 0.773 -18.372 1.150 1.00 63.00 C ATOM 1474 CD2 LEU A 596 -0.559 -17.093 -0.568 1.00 4.23 C ATOM 0 H LEU A 596 3.088 -15.950 -2.329 1.00 63.34 H new ATOM 0 HA LEU A 596 2.193 -16.197 0.398 1.00 14.15 H new ATOM 0 HB2 LEU A 596 1.560 -17.324 -2.060 1.00 2.20 H new ATOM 0 HB3 LEU A 596 2.426 -18.612 -1.246 1.00 2.20 H new ATOM 0 HG LEU A 596 0.223 -19.058 -0.765 1.00 33.12 H new ATOM 0 HD11 LEU A 596 -0.171 -18.650 1.618 1.00 63.00 H new ATOM 0 HD12 LEU A 596 1.490 -19.184 1.271 1.00 63.00 H new ATOM 0 HD13 LEU A 596 1.162 -17.471 1.624 1.00 63.00 H new ATOM 0 HD21 LEU A 596 -1.456 -17.404 -0.033 1.00 4.23 H new ATOM 0 HD22 LEU A 596 -0.239 -16.117 -0.203 1.00 4.23 H new ATOM 0 HD23 LEU A 596 -0.777 -17.028 -1.634 1.00 4.23 H new ATOM 1486 N VAL A 597 4.126 -17.480 1.383 1.00 5.31 N ATOM 1487 CA VAL A 597 5.310 -18.078 1.974 1.00 34.01 C ATOM 1488 C VAL A 597 5.100 -19.603 2.151 1.00 54.33 C ATOM 1489 O VAL A 597 5.833 -20.286 2.871 1.00 41.21 O ATOM 1490 CB VAL A 597 5.660 -17.379 3.330 1.00 42.34 C ATOM 1491 CG1 VAL A 597 7.021 -17.806 3.865 1.00 41.14 C ATOM 1492 CG2 VAL A 597 5.626 -15.870 3.175 1.00 73.32 C ATOM 0 H VAL A 597 3.423 -17.176 2.057 1.00 5.31 H new ATOM 0 HA VAL A 597 6.158 -17.931 1.305 1.00 34.01 H new ATOM 0 HB VAL A 597 4.904 -17.691 4.051 1.00 42.34 H new ATOM 0 HG11 VAL A 597 7.219 -17.294 4.807 1.00 41.14 H new ATOM 0 HG12 VAL A 597 7.026 -18.884 4.030 1.00 41.14 H new ATOM 0 HG13 VAL A 597 7.794 -17.546 3.142 1.00 41.14 H new ATOM 0 HG21 VAL A 597 5.872 -15.401 4.128 1.00 73.32 H new ATOM 0 HG22 VAL A 597 6.353 -15.565 2.422 1.00 73.32 H new ATOM 0 HG23 VAL A 597 4.629 -15.559 2.864 1.00 73.32 H new ATOM 2055 N ARG A 633 -0.502 -17.348 -6.949 1.00 54.13 N ATOM 2056 CA ARG A 633 0.255 -16.321 -6.301 1.00 30.51 C ATOM 2057 C ARG A 633 -0.697 -15.235 -5.856 1.00 54.43 C ATOM 2058 O ARG A 633 -1.652 -14.931 -6.563 1.00 14.21 O ATOM 2059 CB ARG A 633 1.233 -15.739 -7.300 1.00 22.31 C ATOM 2060 CG ARG A 633 2.424 -16.619 -7.604 1.00 43.42 C ATOM 2061 CD ARG A 633 2.995 -16.338 -8.994 1.00 71.32 C ATOM 2062 NE ARG A 633 2.850 -14.940 -9.400 1.00 15.43 N ATOM 2063 CZ ARG A 633 3.682 -13.946 -9.149 1.00 33.15 C ATOM 2064 NH1 ARG A 633 4.804 -14.132 -8.458 1.00 24.30 N ATOM 2065 NH2 ARG A 633 3.380 -12.764 -9.608 1.00 34.52 N ATOM 0 HA ARG A 633 0.793 -16.725 -5.443 1.00 30.51 H new ATOM 0 HB2 ARG A 633 0.703 -15.534 -8.230 1.00 22.31 H new ATOM 0 HB3 ARG A 633 1.593 -14.782 -6.921 1.00 22.31 H new ATOM 0 HG2 ARG A 633 3.197 -16.457 -6.853 1.00 43.42 H new ATOM 0 HG3 ARG A 633 2.129 -17.666 -7.537 1.00 43.42 H new ATOM 0 HD2 ARG A 633 4.051 -16.607 -9.008 1.00 71.32 H new ATOM 0 HD3 ARG A 633 2.494 -16.976 -9.722 1.00 71.32 H new ATOM 0 HE ARG A 633 2.014 -14.708 -9.936 1.00 15.43 H new ATOM 0 HH11 ARG A 633 5.039 -15.061 -8.108 1.00 24.30 H new ATOM 0 HH12 ARG A 633 5.429 -13.346 -8.279 1.00 24.30 H new ATOM 0 HH21 ARG A 633 2.522 -12.629 -10.143 1.00 34.52 H new ATOM 0 HH22 ARG A 633 4.001 -11.974 -9.432 1.00 34.52 H new ATOM 2079 N PRO A 634 -0.503 -14.670 -4.678 1.00 70.42 N ATOM 2080 CA PRO A 634 -1.325 -13.578 -4.221 1.00 75.14 C ATOM 2081 C PRO A 634 -0.986 -12.302 -4.969 1.00 75.21 C ATOM 2082 O PRO A 634 0.175 -12.028 -5.248 1.00 70.35 O ATOM 2083 CB PRO A 634 -0.983 -13.453 -2.742 1.00 42.11 C ATOM 2084 CG PRO A 634 0.386 -14.018 -2.617 1.00 15.42 C ATOM 2085 CD PRO A 634 0.529 -15.044 -3.705 1.00 65.31 C ATOM 0 HA PRO A 634 -2.388 -13.751 -4.389 1.00 75.14 H new ATOM 0 HB2 PRO A 634 -1.013 -12.413 -2.416 1.00 42.11 H new ATOM 0 HB3 PRO A 634 -1.695 -14.001 -2.124 1.00 42.11 H new ATOM 0 HG2 PRO A 634 1.139 -13.236 -2.721 1.00 15.42 H new ATOM 0 HG3 PRO A 634 0.530 -14.471 -1.636 1.00 15.42 H new ATOM 0 HD2 PRO A 634 1.524 -15.020 -4.149 1.00 65.31 H new ATOM 0 HD3 PRO A 634 0.373 -16.054 -3.325 1.00 65.31 H new ATOM 2093 N ILE A 635 -1.988 -11.544 -5.315 1.00 53.34 N ATOM 2094 CA ILE A 635 -1.776 -10.313 -6.029 1.00 12.22 C ATOM 2095 C ILE A 635 -2.442 -9.135 -5.338 1.00 33.15 C ATOM 2096 O ILE A 635 -2.981 -9.288 -4.236 1.00 30.00 O ATOM 2097 CB ILE A 635 -2.105 -10.423 -7.558 1.00 4.55 C ATOM 2098 CG1 ILE A 635 -3.437 -11.157 -7.855 1.00 71.34 C ATOM 2099 CG2 ILE A 635 -0.963 -11.095 -8.289 1.00 24.51 C ATOM 2100 CD1 ILE A 635 -4.686 -10.393 -7.511 1.00 52.41 C ATOM 0 H ILE A 635 -2.965 -11.757 -5.114 1.00 53.34 H new ATOM 0 HA ILE A 635 -0.705 -10.111 -5.996 1.00 12.22 H new ATOM 0 HB ILE A 635 -2.231 -9.403 -7.920 1.00 4.55 H new ATOM 0 HG12 ILE A 635 -3.465 -11.408 -8.915 1.00 71.34 H new ATOM 0 HG13 ILE A 635 -3.444 -12.098 -7.305 1.00 71.34 H new ATOM 0 HG21 ILE A 635 -1.202 -11.166 -9.350 1.00 24.51 H new ATOM 0 HG22 ILE A 635 -0.053 -10.508 -8.161 1.00 24.51 H new ATOM 0 HG23 ILE A 635 -0.810 -12.095 -7.884 1.00 24.51 H new ATOM 0 HD11 ILE A 635 -5.560 -10.995 -7.758 1.00 52.41 H new ATOM 0 HD12 ILE A 635 -4.691 -10.165 -6.445 1.00 52.41 H new ATOM 0 HD13 ILE A 635 -4.713 -9.464 -8.081 1.00 52.41 H new ATOM 2112 N LEU A 636 -2.382 -7.970 -5.948 1.00 75.32 N ATOM 2113 CA LEU A 636 -2.887 -6.760 -5.321 1.00 23.42 C ATOM 2114 C LEU A 636 -4.409 -6.690 -5.398 1.00 32.20 C ATOM 2115 O LEU A 636 -5.058 -7.569 -5.952 1.00 15.12 O ATOM 2116 CB LEU A 636 -2.250 -5.493 -5.947 1.00 62.02 C ATOM 2117 CG LEU A 636 -2.846 -4.917 -7.265 1.00 2.02 C ATOM 2118 CD1 LEU A 636 -1.979 -3.801 -7.789 1.00 73.53 C ATOM 2119 CD2 LEU A 636 -3.073 -5.970 -8.338 1.00 72.32 C ATOM 0 H LEU A 636 -1.988 -7.832 -6.879 1.00 75.32 H new ATOM 0 HA LEU A 636 -2.603 -6.796 -4.269 1.00 23.42 H new ATOM 0 HB2 LEU A 636 -2.286 -4.703 -5.197 1.00 62.02 H new ATOM 0 HB3 LEU A 636 -1.198 -5.711 -6.130 1.00 62.02 H new ATOM 0 HG LEU A 636 -3.831 -4.525 -7.013 1.00 2.02 H new ATOM 0 HD11 LEU A 636 -2.409 -3.409 -8.711 1.00 73.53 H new ATOM 0 HD12 LEU A 636 -1.923 -3.005 -7.047 1.00 73.53 H new ATOM 0 HD13 LEU A 636 -0.977 -4.182 -7.989 1.00 73.53 H new ATOM 0 HD21 LEU A 636 -3.490 -5.499 -9.228 1.00 72.32 H new ATOM 0 HD22 LEU A 636 -2.124 -6.444 -8.589 1.00 72.32 H new ATOM 0 HD23 LEU A 636 -3.768 -6.723 -7.967 1.00 72.32 H new ATOM 2131 N GLY A 637 -4.958 -5.661 -4.834 1.00 43.11 N ATOM 2132 CA GLY A 637 -6.367 -5.482 -4.873 1.00 35.44 C ATOM 2133 C GLY A 637 -6.775 -4.567 -5.982 1.00 11.34 C ATOM 2134 O GLY A 637 -7.071 -5.008 -7.089 1.00 12.35 O ATOM 0 H GLY A 637 -4.445 -4.931 -4.340 1.00 43.11 H new ATOM 0 HA2 GLY A 637 -6.854 -6.449 -5.001 1.00 35.44 H new ATOM 0 HA3 GLY A 637 -6.709 -5.076 -3.921 1.00 35.44 H new ATOM 2138 N GLU A 638 -6.737 -3.301 -5.704 1.00 13.31 N ATOM 2139 CA GLU A 638 -7.183 -2.304 -6.642 1.00 64.44 C ATOM 2140 C GLU A 638 -6.102 -1.254 -6.841 1.00 32.11 C ATOM 2141 O GLU A 638 -5.494 -1.173 -7.912 1.00 42.53 O ATOM 2142 CB GLU A 638 -8.485 -1.661 -6.137 1.00 72.31 C ATOM 2143 CG GLU A 638 -9.151 -0.718 -7.119 1.00 60.20 C ATOM 2144 CD GLU A 638 -9.532 -1.420 -8.393 1.00 71.43 C ATOM 2145 OE1 GLU A 638 -10.531 -2.155 -8.407 1.00 31.35 O ATOM 2146 OE2 GLU A 638 -8.841 -1.256 -9.404 1.00 2.11 O ATOM 0 H GLU A 638 -6.396 -2.923 -4.820 1.00 13.31 H new ATOM 0 HA GLU A 638 -7.380 -2.776 -7.604 1.00 64.44 H new ATOM 0 HB2 GLU A 638 -9.189 -2.453 -5.881 1.00 72.31 H new ATOM 0 HB3 GLU A 638 -8.271 -1.115 -5.218 1.00 72.31 H new ATOM 0 HG2 GLU A 638 -10.041 -0.285 -6.662 1.00 60.20 H new ATOM 0 HG3 GLU A 638 -8.476 0.107 -7.346 1.00 60.20 H new ATOM 2153 N HIS A 639 -5.826 -0.492 -5.799 1.00 11.32 N ATOM 2154 CA HIS A 639 -4.849 0.566 -5.885 1.00 2.02 C ATOM 2155 C HIS A 639 -3.757 0.397 -4.854 1.00 34.33 C ATOM 2156 O HIS A 639 -4.011 0.349 -3.635 1.00 35.14 O ATOM 2157 CB HIS A 639 -5.494 1.982 -5.801 1.00 42.35 C ATOM 2158 CG HIS A 639 -6.327 2.250 -4.567 1.00 13.42 C ATOM 2159 ND1 HIS A 639 -5.888 2.964 -3.464 1.00 14.42 N ATOM 2160 CD2 HIS A 639 -7.604 1.903 -4.296 1.00 61.03 C ATOM 2161 CE1 HIS A 639 -6.892 3.022 -2.586 1.00 10.51 C ATOM 2162 NE2 HIS A 639 -7.960 2.391 -3.043 1.00 3.44 N ATOM 0 H HIS A 639 -6.267 -0.590 -4.885 1.00 11.32 H new ATOM 0 HA HIS A 639 -4.392 0.487 -6.871 1.00 2.02 H new ATOM 0 HB2 HIS A 639 -4.700 2.727 -5.850 1.00 42.35 H new ATOM 0 HB3 HIS A 639 -6.122 2.128 -6.680 1.00 42.35 H new ATOM 0 HD2 HIS A 639 -8.248 1.335 -4.950 1.00 61.03 H new ATOM 0 HE1 HIS A 639 -6.839 3.519 -1.629 1.00 10.51 H new ATOM 0 HE2 HIS A 639 -8.859 2.284 -2.574 1.00 3.44 H new ATOM 2170 N THR A 640 -2.564 0.253 -5.335 1.00 2.14 N ATOM 2171 CA THR A 640 -1.419 0.182 -4.512 1.00 73.32 C ATOM 2172 C THR A 640 -0.613 1.467 -4.681 1.00 43.14 C ATOM 2173 O THR A 640 0.233 1.590 -5.582 1.00 45.23 O ATOM 2174 CB THR A 640 -0.601 -1.049 -4.915 1.00 25.54 C ATOM 2175 OG1 THR A 640 -0.572 -1.125 -6.353 1.00 61.32 O ATOM 2176 CG2 THR A 640 -1.238 -2.313 -4.367 1.00 62.44 C ATOM 0 H THR A 640 -2.364 0.181 -6.333 1.00 2.14 H new ATOM 0 HA THR A 640 -1.695 0.085 -3.462 1.00 73.32 H new ATOM 0 HB THR A 640 0.407 -0.960 -4.511 1.00 25.54 H new ATOM 0 HG1 THR A 640 -0.280 -0.265 -6.720 1.00 61.32 H new ATOM 0 HG21 THR A 640 -0.644 -3.178 -4.663 1.00 62.44 H new ATOM 0 HG22 THR A 640 -1.280 -2.257 -3.279 1.00 62.44 H new ATOM 0 HG23 THR A 640 -2.248 -2.413 -4.765 1.00 62.44 H new ATOM 2184 N LYS A 641 -0.915 2.434 -3.835 1.00 71.02 N ATOM 2185 CA LYS A 641 -0.309 3.741 -3.879 1.00 64.25 C ATOM 2186 C LYS A 641 -0.876 4.514 -2.719 1.00 31.12 C ATOM 2187 O LYS A 641 -2.090 4.489 -2.492 1.00 53.53 O ATOM 2188 CB LYS A 641 -0.682 4.444 -5.213 1.00 41.20 C ATOM 2189 CG LYS A 641 0.149 5.677 -5.605 1.00 11.30 C ATOM 2190 CD LYS A 641 -0.168 6.912 -4.784 1.00 71.13 C ATOM 2191 CE LYS A 641 0.585 8.120 -5.312 1.00 72.03 C ATOM 2192 NZ LYS A 641 0.262 8.402 -6.729 1.00 1.20 N ATOM 0 H LYS A 641 -1.600 2.326 -3.087 1.00 71.02 H new ATOM 0 HA LYS A 641 0.778 3.679 -3.819 1.00 64.25 H new ATOM 0 HB2 LYS A 641 -0.602 3.712 -6.016 1.00 41.20 H new ATOM 0 HB3 LYS A 641 -1.729 4.744 -5.158 1.00 41.20 H new ATOM 0 HG2 LYS A 641 1.207 5.441 -5.495 1.00 11.30 H new ATOM 0 HG3 LYS A 641 -0.021 5.899 -6.659 1.00 11.30 H new ATOM 0 HD2 LYS A 641 -1.240 7.106 -4.811 1.00 71.13 H new ATOM 0 HD3 LYS A 641 0.099 6.739 -3.741 1.00 71.13 H new ATOM 0 HE2 LYS A 641 0.342 8.992 -4.705 1.00 72.03 H new ATOM 0 HE3 LYS A 641 1.657 7.951 -5.212 1.00 72.03 H new ATOM 0 HZ1 LYS A 641 0.509 9.387 -6.952 1.00 1.20 H new ATOM 0 HZ2 LYS A 641 0.805 7.761 -7.343 1.00 1.20 H new ATOM 0 HZ3 LYS A 641 -0.755 8.256 -6.889 1.00 1.20 H new ATOM 2206 N LEU A 642 -0.023 5.142 -1.983 1.00 20.21 N ATOM 2207 CA LEU A 642 -0.419 5.950 -0.876 1.00 53.10 C ATOM 2208 C LEU A 642 0.398 7.224 -0.859 1.00 14.10 C ATOM 2209 O LEU A 642 1.600 7.186 -0.650 1.00 31.21 O ATOM 2210 CB LEU A 642 -0.203 5.194 0.421 1.00 12.32 C ATOM 2211 CG LEU A 642 -0.459 5.982 1.692 1.00 44.50 C ATOM 2212 CD1 LEU A 642 -1.931 6.289 1.885 1.00 62.32 C ATOM 2213 CD2 LEU A 642 0.111 5.274 2.882 1.00 73.04 C ATOM 0 H LEU A 642 0.985 5.109 -2.134 1.00 20.21 H new ATOM 0 HA LEU A 642 -1.476 6.196 -0.976 1.00 53.10 H new ATOM 0 HB2 LEU A 642 -0.851 4.318 0.422 1.00 12.32 H new ATOM 0 HB3 LEU A 642 0.824 4.830 0.441 1.00 12.32 H new ATOM 0 HG LEU A 642 0.052 6.939 1.590 1.00 44.50 H new ATOM 0 HD11 LEU A 642 -2.067 6.854 2.807 1.00 62.32 H new ATOM 0 HD12 LEU A 642 -2.294 6.877 1.042 1.00 62.32 H new ATOM 0 HD13 LEU A 642 -2.492 5.357 1.945 1.00 62.32 H new ATOM 0 HD21 LEU A 642 -0.085 5.858 3.781 1.00 73.04 H new ATOM 0 HD22 LEU A 642 -0.353 4.293 2.978 1.00 73.04 H new ATOM 0 HD23 LEU A 642 1.187 5.155 2.754 1.00 73.04 H new ATOM 2225 N GLU A 643 -0.242 8.314 -1.115 1.00 24.05 N ATOM 2226 CA GLU A 643 0.378 9.604 -1.078 1.00 32.51 C ATOM 2227 C GLU A 643 0.212 10.148 0.333 1.00 15.15 C ATOM 2228 O GLU A 643 -0.895 10.511 0.750 1.00 12.05 O ATOM 2229 CB GLU A 643 -0.304 10.521 -2.103 1.00 40.33 C ATOM 2230 CG GLU A 643 0.337 11.884 -2.286 1.00 30.40 C ATOM 2231 CD GLU A 643 -0.384 12.727 -3.322 1.00 3.52 C ATOM 2232 OE1 GLU A 643 -0.197 12.496 -4.531 1.00 30.24 O ATOM 2233 OE2 GLU A 643 -1.188 13.618 -2.957 1.00 53.11 O ATOM 0 H GLU A 643 -1.231 8.339 -1.361 1.00 24.05 H new ATOM 0 HA GLU A 643 1.437 9.546 -1.329 1.00 32.51 H new ATOM 0 HB2 GLU A 643 -0.318 10.013 -3.067 1.00 40.33 H new ATOM 0 HB3 GLU A 643 -1.342 10.664 -1.803 1.00 40.33 H new ATOM 0 HG2 GLU A 643 0.342 12.411 -1.332 1.00 30.40 H new ATOM 0 HG3 GLU A 643 1.377 11.756 -2.585 1.00 30.40 H new ATOM 2240 N VAL A 644 1.268 10.110 1.096 1.00 62.32 N ATOM 2241 CA VAL A 644 1.229 10.599 2.447 1.00 41.23 C ATOM 2242 C VAL A 644 1.708 12.013 2.461 1.00 54.44 C ATOM 2243 O VAL A 644 2.881 12.253 2.222 1.00 31.04 O ATOM 2244 CB VAL A 644 2.161 9.795 3.358 1.00 34.15 C ATOM 2245 CG1 VAL A 644 2.017 10.243 4.803 1.00 31.31 C ATOM 2246 CG2 VAL A 644 1.916 8.311 3.209 1.00 71.01 C ATOM 0 H VAL A 644 2.173 9.743 0.803 1.00 62.32 H new ATOM 0 HA VAL A 644 0.204 10.511 2.807 1.00 41.23 H new ATOM 0 HB VAL A 644 3.189 9.987 3.052 1.00 34.15 H new ATOM 0 HG11 VAL A 644 2.688 9.659 5.433 1.00 31.31 H new ATOM 0 HG12 VAL A 644 2.272 11.300 4.883 1.00 31.31 H new ATOM 0 HG13 VAL A 644 0.988 10.092 5.130 1.00 31.31 H new ATOM 0 HG21 VAL A 644 2.591 7.763 3.867 1.00 71.01 H new ATOM 0 HG22 VAL A 644 0.884 8.084 3.477 1.00 71.01 H new ATOM 0 HG23 VAL A 644 2.096 8.014 2.176 1.00 71.01 H new ATOM 2256 N ILE A 645 0.838 12.934 2.702 1.00 13.41 N ATOM 2257 CA ILE A 645 1.236 14.303 2.766 1.00 21.44 C ATOM 2258 C ILE A 645 1.568 14.626 4.203 1.00 23.52 C ATOM 2259 O ILE A 645 0.723 14.518 5.096 1.00 13.44 O ATOM 2260 CB ILE A 645 0.181 15.310 2.192 1.00 2.21 C ATOM 2261 CG1 ILE A 645 -0.124 15.040 0.698 1.00 45.45 C ATOM 2262 CG2 ILE A 645 0.657 16.748 2.365 1.00 64.11 C ATOM 2263 CD1 ILE A 645 -1.046 13.863 0.433 1.00 25.24 C ATOM 0 H ILE A 645 -0.156 12.766 2.859 1.00 13.41 H new ATOM 0 HA ILE A 645 2.107 14.425 2.123 1.00 21.44 H new ATOM 0 HB ILE A 645 -0.739 15.163 2.758 1.00 2.21 H new ATOM 0 HG12 ILE A 645 -0.570 15.936 0.266 1.00 45.45 H new ATOM 0 HG13 ILE A 645 0.817 14.869 0.176 1.00 45.45 H new ATOM 0 HG21 ILE A 645 -0.091 17.430 1.960 1.00 64.11 H new ATOM 0 HG22 ILE A 645 0.803 16.958 3.425 1.00 64.11 H new ATOM 0 HG23 ILE A 645 1.599 16.886 1.835 1.00 64.11 H new ATOM 0 HD11 ILE A 645 -1.199 13.755 -0.641 1.00 25.24 H new ATOM 0 HD12 ILE A 645 -0.596 12.952 0.829 1.00 25.24 H new ATOM 0 HD13 ILE A 645 -2.005 14.035 0.921 1.00 25.24 H new ATOM 2275 N ILE A 646 2.795 14.978 4.424 1.00 12.31 N ATOM 2276 CA ILE A 646 3.287 15.236 5.743 1.00 55.11 C ATOM 2277 C ILE A 646 3.453 16.696 5.839 1.00 41.25 C ATOM 2278 O ILE A 646 4.336 17.271 5.190 1.00 0.22 O ATOM 2279 CB ILE A 646 4.692 14.604 6.032 1.00 41.02 C ATOM 2280 CG1 ILE A 646 4.839 13.213 5.439 1.00 62.34 C ATOM 2281 CG2 ILE A 646 4.976 14.560 7.525 1.00 62.42 C ATOM 2282 CD1 ILE A 646 5.190 13.229 3.973 1.00 3.23 C ATOM 0 H ILE A 646 3.491 15.096 3.688 1.00 12.31 H new ATOM 0 HA ILE A 646 2.583 14.804 6.454 1.00 55.11 H new ATOM 0 HB ILE A 646 5.423 15.250 5.546 1.00 41.02 H new ATOM 0 HG12 ILE A 646 5.611 12.671 5.985 1.00 62.34 H new ATOM 0 HG13 ILE A 646 3.907 12.665 5.577 1.00 62.34 H new ATOM 0 HG21 ILE A 646 5.957 14.117 7.696 1.00 62.42 H new ATOM 0 HG22 ILE A 646 4.960 15.572 7.928 1.00 62.42 H new ATOM 0 HG23 ILE A 646 4.215 13.959 8.023 1.00 62.42 H new ATOM 0 HD11 ILE A 646 5.281 12.205 3.609 1.00 3.23 H new ATOM 0 HD12 ILE A 646 4.406 13.744 3.417 1.00 3.23 H new ATOM 0 HD13 ILE A 646 6.137 13.750 3.831 1.00 3.23 H new ATOM 2294 N GLU A 647 2.649 17.302 6.578 1.00 45.54 N ATOM 2295 CA GLU A 647 2.715 18.703 6.706 1.00 71.22 C ATOM 2296 C GLU A 647 3.166 19.104 8.069 1.00 51.44 C ATOM 2297 O GLU A 647 2.971 18.355 9.043 1.00 41.32 O ATOM 2298 CB GLU A 647 1.406 19.343 6.273 1.00 2.44 C ATOM 2299 CG GLU A 647 0.154 18.573 6.661 1.00 73.55 C ATOM 2300 CD GLU A 647 -1.079 19.211 6.094 1.00 63.52 C ATOM 2301 OE1 GLU A 647 -1.464 18.882 4.941 1.00 54.21 O ATOM 2302 OE2 GLU A 647 -1.664 20.086 6.764 1.00 33.12 O ATOM 0 H GLU A 647 1.913 16.853 7.124 1.00 45.54 H new ATOM 0 HA GLU A 647 3.477 19.087 6.028 1.00 71.22 H new ATOM 0 HB2 GLU A 647 1.348 20.342 6.704 1.00 2.44 H new ATOM 0 HB3 GLU A 647 1.419 19.463 5.190 1.00 2.44 H new ATOM 0 HG2 GLU A 647 0.231 17.546 6.304 1.00 73.55 H new ATOM 0 HG3 GLU A 647 0.075 18.527 7.747 1.00 73.55 H new ATOM 2309 N GLU A 648 3.830 20.248 8.138 1.00 52.40 N ATOM 2310 CA GLU A 648 4.325 20.756 9.391 1.00 14.31 C ATOM 2311 C GLU A 648 3.094 21.017 10.239 1.00 32.41 C ATOM 2312 O GLU A 648 2.116 21.587 9.728 1.00 65.15 O ATOM 2313 CB GLU A 648 5.126 22.054 9.186 1.00 4.43 C ATOM 2314 CG GLU A 648 6.072 22.071 7.966 1.00 30.05 C ATOM 2315 CD GLU A 648 7.059 20.934 7.893 1.00 34.30 C ATOM 2316 OE1 GLU A 648 6.767 19.906 7.313 1.00 72.52 O ATOM 2317 OE2 GLU A 648 8.208 21.046 8.384 1.00 20.21 O ATOM 0 H GLU A 648 4.035 20.838 7.332 1.00 52.40 H new ATOM 0 HA GLU A 648 5.003 20.048 9.866 1.00 14.31 H new ATOM 0 HB2 GLU A 648 4.423 22.882 9.089 1.00 4.43 H new ATOM 0 HB3 GLU A 648 5.716 22.240 10.083 1.00 4.43 H new ATOM 0 HG2 GLU A 648 5.467 22.062 7.059 1.00 30.05 H new ATOM 0 HG3 GLU A 648 6.626 23.010 7.971 1.00 30.05 H new ATOM 2324 N SER A 649 3.125 20.590 11.486 1.00 1.30 N ATOM 2325 CA SER A 649 1.943 20.569 12.326 1.00 12.45 C ATOM 2326 C SER A 649 1.355 21.973 12.529 1.00 20.42 C ATOM 2327 O SER A 649 1.934 22.833 13.213 1.00 22.33 O ATOM 2328 CB SER A 649 2.245 19.867 13.657 1.00 34.35 C ATOM 2329 OG SER A 649 1.059 19.528 14.351 1.00 1.35 O ATOM 0 H SER A 649 3.969 20.248 11.945 1.00 1.30 H new ATOM 0 HA SER A 649 1.174 19.992 11.812 1.00 12.45 H new ATOM 0 HB2 SER A 649 2.827 18.965 13.469 1.00 34.35 H new ATOM 0 HB3 SER A 649 2.858 20.518 14.281 1.00 34.35 H new ATOM 0 HG SER A 649 1.289 19.081 15.193 1.00 1.35 H new