USER MOD reduce.3.24.130724 H: found=0, std=0, add=872, rem=0, adj=24 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 545 THR OG1 : rot -24:sc= 1.35 USER MOD Set 1.2: A 583 LYS NZ :NH3+ -167:sc= 1.61 (180deg=0.393) USER MOD Set 2.1: A 539 TYR OH : rot 151:sc= 0.306 USER MOD Set 2.2: A 556 THR OG1 : rot 175:sc= 0.282 USER MOD Single : A 506 THR OG1 : rot 25:sc= 0.849 USER MOD Single : A 512 THR OG1 : rot 67:sc= 0.463 USER MOD Single : A 513 HIS : no HE2:sc= 1.21 K(o=1.2,f=-4.7!) USER MOD Single : A 515 SER OG : rot 180:sc= 0 USER MOD Single : A 517 SER OG : rot 180:sc= 0 USER MOD Single : A 521 MET CE :methyl -121:sc= -4.67! (180deg=-7.22!) USER MOD Single : A 524 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 528 THR OG1 : rot -116:sc= -2.03! USER MOD Single : A 529 SER OG : rot 180:sc= 0 USER MOD Single : A 534 ASN : amide:sc= -2.91! K(o=-2.9!,f=-1.3) USER MOD Single : A 540 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00675) USER MOD Single : A 541 THR OG1 : rot 59:sc= 0.831 USER MOD Single : A 557 CYS SG : rot -102:sc= 1.41 USER MOD Single : A 563 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 564 ASN : amide:sc=-0.00762 X(o=-0.0076,f=-0.013) USER MOD Single : A 569 LYS NZ :NH3+ -173:sc= 1.79 (180deg=1.67) USER MOD Single : A 570 THR OG1 : rot 173:sc= 1.22 USER MOD Single : A 572 SER OG : rot 45:sc= 0.144 USER MOD Single : A 574 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 581 TYR OH : rot 180:sc= 0 USER MOD Single : A 584 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 585 LYS NZ :NH3+ -179:sc= 2.14 (180deg=2.12) USER MOD Single : A 586 THR OG1 : rot 32:sc= 0.26 USER MOD Single : A 639 HIS : no HD1:sc= -0.0431 X(o=-0.043,f=-0.27) USER MOD Single : A 640 THR OG1 : rot 43:sc= 0.301 USER MOD Single : A 641 LYS NZ :NH3+ -162:sc= -0.0501 (180deg=-0.372) USER MOD Single : A 649 SER OG : rot 130:sc= 0.602 USER MOD ----------------------------------------------------------------- ATOM 28 N GLY A 503 -4.487 -13.408 -3.759 1.00 43.11 N ATOM 29 CA GLY A 503 -4.317 -12.391 -2.790 1.00 51.13 C ATOM 30 C GLY A 503 -4.549 -11.036 -3.364 1.00 23.41 C ATOM 31 O GLY A 503 -4.069 -10.733 -4.453 1.00 54.44 O ATOM 0 HA2 GLY A 503 -5.007 -12.558 -1.963 1.00 51.13 H new ATOM 0 HA3 GLY A 503 -3.308 -12.444 -2.380 1.00 51.13 H new ATOM 35 N ILE A 504 -5.338 -10.263 -2.666 1.00 24.23 N ATOM 36 CA ILE A 504 -5.654 -8.896 -3.015 1.00 74.10 C ATOM 37 C ILE A 504 -5.172 -8.009 -1.871 1.00 73.41 C ATOM 38 O ILE A 504 -5.664 -8.123 -0.758 1.00 72.30 O ATOM 39 CB ILE A 504 -7.203 -8.664 -3.180 1.00 22.05 C ATOM 40 CG1 ILE A 504 -7.844 -9.540 -4.277 1.00 74.33 C ATOM 41 CG2 ILE A 504 -7.531 -7.201 -3.426 1.00 14.43 C ATOM 42 CD1 ILE A 504 -8.109 -10.973 -3.866 1.00 62.14 C ATOM 0 H ILE A 504 -5.796 -10.575 -1.809 1.00 24.23 H new ATOM 0 HA ILE A 504 -5.173 -8.664 -3.965 1.00 74.10 H new ATOM 0 HB ILE A 504 -7.639 -8.971 -2.229 1.00 22.05 H new ATOM 0 HG12 ILE A 504 -8.785 -9.084 -4.584 1.00 74.33 H new ATOM 0 HG13 ILE A 504 -7.191 -9.541 -5.150 1.00 74.33 H new ATOM 0 HG21 ILE A 504 -8.609 -7.083 -3.534 1.00 14.43 H new ATOM 0 HG22 ILE A 504 -7.184 -6.604 -2.583 1.00 14.43 H new ATOM 0 HG23 ILE A 504 -7.036 -6.865 -4.337 1.00 14.43 H new ATOM 0 HD11 ILE A 504 -8.560 -11.513 -4.699 1.00 62.14 H new ATOM 0 HD12 ILE A 504 -7.170 -11.452 -3.589 1.00 62.14 H new ATOM 0 HD13 ILE A 504 -8.789 -10.987 -3.014 1.00 62.14 H new ATOM 54 N PHE A 505 -4.192 -7.179 -2.121 1.00 21.13 N ATOM 55 CA PHE A 505 -3.686 -6.288 -1.087 1.00 64.10 C ATOM 56 C PHE A 505 -3.766 -4.861 -1.577 1.00 42.52 C ATOM 57 O PHE A 505 -3.170 -4.519 -2.594 1.00 31.11 O ATOM 58 CB PHE A 505 -2.252 -6.666 -0.706 1.00 24.41 C ATOM 59 CG PHE A 505 -2.133 -8.085 -0.224 1.00 1.22 C ATOM 60 CD1 PHE A 505 -2.481 -8.422 1.069 1.00 22.22 C ATOM 61 CD2 PHE A 505 -1.695 -9.083 -1.076 1.00 25.21 C ATOM 62 CE1 PHE A 505 -2.391 -9.726 1.506 1.00 25.21 C ATOM 63 CE2 PHE A 505 -1.605 -10.389 -0.648 1.00 21.31 C ATOM 64 CZ PHE A 505 -1.951 -10.711 0.647 1.00 24.33 C ATOM 0 H PHE A 505 -3.725 -7.095 -3.024 1.00 21.13 H new ATOM 0 HA PHE A 505 -4.298 -6.386 -0.190 1.00 64.10 H new ATOM 0 HB2 PHE A 505 -1.602 -6.525 -1.570 1.00 24.41 H new ATOM 0 HB3 PHE A 505 -1.898 -5.991 0.073 1.00 24.41 H new ATOM 0 HD1 PHE A 505 -2.828 -7.655 1.746 1.00 22.22 H new ATOM 0 HD2 PHE A 505 -1.420 -8.835 -2.090 1.00 25.21 H new ATOM 0 HE1 PHE A 505 -2.665 -9.976 2.520 1.00 25.21 H new ATOM 0 HE2 PHE A 505 -1.264 -11.159 -1.325 1.00 21.31 H new ATOM 0 HZ PHE A 505 -1.878 -11.733 0.988 1.00 24.33 H new ATOM 74 N THR A 506 -4.504 -4.038 -0.884 1.00 3.23 N ATOM 75 CA THR A 506 -4.734 -2.691 -1.330 1.00 35.22 C ATOM 76 C THR A 506 -4.901 -1.767 -0.122 1.00 1.10 C ATOM 77 O THR A 506 -5.021 -2.239 1.016 1.00 2.14 O ATOM 78 CB THR A 506 -6.023 -2.643 -2.242 1.00 32.24 C ATOM 79 OG1 THR A 506 -6.181 -1.361 -2.878 1.00 72.54 O ATOM 80 CG2 THR A 506 -7.292 -2.967 -1.448 1.00 74.53 C ATOM 0 H THR A 506 -4.959 -4.278 -0.003 1.00 3.23 H new ATOM 0 HA THR A 506 -3.878 -2.352 -1.914 1.00 35.22 H new ATOM 0 HB THR A 506 -5.879 -3.404 -3.009 1.00 32.24 H new ATOM 0 HG1 THR A 506 -5.308 -0.920 -2.947 1.00 72.54 H new ATOM 0 HG21 THR A 506 -8.157 -2.924 -2.110 1.00 74.53 H new ATOM 0 HG22 THR A 506 -7.210 -3.968 -1.023 1.00 74.53 H new ATOM 0 HG23 THR A 506 -7.414 -2.241 -0.644 1.00 74.53 H new ATOM 88 N PHE A 507 -4.864 -0.476 -0.371 1.00 12.10 N ATOM 89 CA PHE A 507 -5.150 0.519 0.645 1.00 24.32 C ATOM 90 C PHE A 507 -6.567 0.973 0.444 1.00 70.33 C ATOM 91 O PHE A 507 -7.149 0.726 -0.628 1.00 63.14 O ATOM 92 CB PHE A 507 -4.225 1.738 0.523 1.00 10.12 C ATOM 93 CG PHE A 507 -2.770 1.456 0.729 1.00 73.32 C ATOM 94 CD1 PHE A 507 -2.253 1.339 2.007 1.00 52.32 C ATOM 95 CD2 PHE A 507 -1.916 1.328 -0.351 1.00 73.53 C ATOM 96 CE1 PHE A 507 -0.911 1.097 2.203 1.00 12.11 C ATOM 97 CE2 PHE A 507 -0.573 1.085 -0.161 1.00 31.21 C ATOM 98 CZ PHE A 507 -0.071 0.970 1.118 1.00 75.44 C ATOM 0 H PHE A 507 -4.635 -0.084 -1.284 1.00 12.10 H new ATOM 0 HA PHE A 507 -4.995 0.077 1.629 1.00 24.32 H new ATOM 0 HB2 PHE A 507 -4.357 2.177 -0.466 1.00 10.12 H new ATOM 0 HB3 PHE A 507 -4.540 2.487 1.249 1.00 10.12 H new ATOM 0 HD1 PHE A 507 -2.908 1.438 2.860 1.00 52.32 H new ATOM 0 HD2 PHE A 507 -2.306 1.419 -1.354 1.00 73.53 H new ATOM 0 HE1 PHE A 507 -0.518 1.007 3.205 1.00 12.11 H new ATOM 0 HE2 PHE A 507 0.085 0.985 -1.012 1.00 31.21 H new ATOM 0 HZ PHE A 507 0.981 0.780 1.270 1.00 75.44 H new ATOM 108 N GLU A 508 -7.135 1.588 1.443 1.00 2.03 N ATOM 109 CA GLU A 508 -8.459 2.131 1.322 1.00 62.40 C ATOM 110 C GLU A 508 -8.423 3.647 1.145 1.00 53.35 C ATOM 111 O GLU A 508 -9.371 4.255 0.635 1.00 53.35 O ATOM 112 CB GLU A 508 -9.404 1.652 2.445 1.00 4.45 C ATOM 113 CG GLU A 508 -8.806 1.567 3.849 1.00 45.51 C ATOM 114 CD GLU A 508 -8.245 2.864 4.337 1.00 4.01 C ATOM 115 OE1 GLU A 508 -9.022 3.724 4.822 1.00 21.43 O ATOM 116 OE2 GLU A 508 -7.034 3.061 4.209 1.00 75.30 O ATOM 0 H GLU A 508 -6.699 1.726 2.355 1.00 2.03 H new ATOM 0 HA GLU A 508 -8.897 1.731 0.408 1.00 62.40 H new ATOM 0 HB2 GLU A 508 -10.261 2.324 2.479 1.00 4.45 H new ATOM 0 HB3 GLU A 508 -9.783 0.666 2.175 1.00 4.45 H new ATOM 0 HG2 GLU A 508 -9.575 1.229 4.543 1.00 45.51 H new ATOM 0 HG3 GLU A 508 -8.018 0.814 3.855 1.00 45.51 H new ATOM 123 N GLU A 509 -7.358 4.254 1.610 1.00 41.05 N ATOM 124 CA GLU A 509 -7.105 5.643 1.348 1.00 11.54 C ATOM 125 C GLU A 509 -5.815 5.753 0.530 1.00 44.54 C ATOM 126 O GLU A 509 -4.783 5.219 0.918 1.00 45.14 O ATOM 127 CB GLU A 509 -7.051 6.499 2.654 1.00 72.04 C ATOM 128 CG GLU A 509 -5.886 6.230 3.608 1.00 65.12 C ATOM 129 CD GLU A 509 -6.016 6.972 4.933 1.00 74.00 C ATOM 130 OE1 GLU A 509 -6.041 8.235 4.960 1.00 11.01 O ATOM 131 OE2 GLU A 509 -6.077 6.311 5.996 1.00 43.51 O ATOM 0 H GLU A 509 -6.646 3.797 2.179 1.00 41.05 H new ATOM 0 HA GLU A 509 -7.935 6.055 0.774 1.00 11.54 H new ATOM 0 HB2 GLU A 509 -7.021 7.551 2.370 1.00 72.04 H new ATOM 0 HB3 GLU A 509 -7.981 6.343 3.201 1.00 72.04 H new ATOM 0 HG2 GLU A 509 -5.823 5.159 3.802 1.00 65.12 H new ATOM 0 HG3 GLU A 509 -4.953 6.522 3.125 1.00 65.12 H new ATOM 138 N PRO A 510 -5.871 6.377 -0.656 1.00 52.25 N ATOM 139 CA PRO A 510 -4.680 6.557 -1.497 1.00 11.41 C ATOM 140 C PRO A 510 -3.838 7.742 -1.028 1.00 23.11 C ATOM 141 O PRO A 510 -2.722 7.954 -1.486 1.00 60.21 O ATOM 142 CB PRO A 510 -5.273 6.843 -2.878 1.00 71.44 C ATOM 143 CG PRO A 510 -6.586 7.499 -2.601 1.00 10.14 C ATOM 144 CD PRO A 510 -7.092 6.917 -1.302 1.00 74.31 C ATOM 0 HA PRO A 510 -4.015 5.694 -1.473 1.00 11.41 H new ATOM 0 HB2 PRO A 510 -4.621 7.493 -3.461 1.00 71.44 H new ATOM 0 HB3 PRO A 510 -5.403 5.925 -3.451 1.00 71.44 H new ATOM 0 HG2 PRO A 510 -6.470 8.580 -2.523 1.00 10.14 H new ATOM 0 HG3 PRO A 510 -7.291 7.312 -3.411 1.00 10.14 H new ATOM 0 HD2 PRO A 510 -7.570 7.676 -0.683 1.00 74.31 H new ATOM 0 HD3 PRO A 510 -7.832 6.135 -1.475 1.00 74.31 H new ATOM 152 N VAL A 511 -4.396 8.504 -0.122 1.00 74.44 N ATOM 153 CA VAL A 511 -3.787 9.692 0.434 1.00 52.11 C ATOM 154 C VAL A 511 -4.122 9.729 1.899 1.00 1.11 C ATOM 155 O VAL A 511 -5.265 9.452 2.278 1.00 23.23 O ATOM 156 CB VAL A 511 -4.336 10.997 -0.251 1.00 35.11 C ATOM 157 CG1 VAL A 511 -3.848 12.240 0.452 1.00 2.23 C ATOM 158 CG2 VAL A 511 -3.945 11.067 -1.713 1.00 52.13 C ATOM 0 H VAL A 511 -5.320 8.310 0.264 1.00 74.44 H new ATOM 0 HA VAL A 511 -2.711 9.656 0.266 1.00 52.11 H new ATOM 0 HB VAL A 511 -5.422 10.950 -0.177 1.00 35.11 H new ATOM 0 HG11 VAL A 511 -4.247 13.122 -0.049 1.00 2.23 H new ATOM 0 HG12 VAL A 511 -4.185 12.228 1.489 1.00 2.23 H new ATOM 0 HG13 VAL A 511 -2.759 12.269 0.425 1.00 2.23 H new ATOM 0 HG21 VAL A 511 -4.342 11.982 -2.152 1.00 52.13 H new ATOM 0 HG22 VAL A 511 -2.858 11.065 -1.800 1.00 52.13 H new ATOM 0 HG23 VAL A 511 -4.353 10.205 -2.240 1.00 52.13 H new ATOM 168 N THR A 512 -3.153 10.036 2.705 1.00 31.32 N ATOM 169 CA THR A 512 -3.364 10.146 4.095 1.00 22.40 C ATOM 170 C THR A 512 -2.627 11.398 4.589 1.00 42.14 C ATOM 171 O THR A 512 -1.599 11.794 4.009 1.00 53.13 O ATOM 172 CB THR A 512 -2.909 8.847 4.858 1.00 74.24 C ATOM 173 OG1 THR A 512 -3.472 8.816 6.168 1.00 13.22 O ATOM 174 CG2 THR A 512 -1.397 8.756 4.975 1.00 11.32 C ATOM 0 H THR A 512 -2.195 10.216 2.406 1.00 31.32 H new ATOM 0 HA THR A 512 -4.429 10.247 4.302 1.00 22.40 H new ATOM 0 HB THR A 512 -3.265 7.998 4.275 1.00 74.24 H new ATOM 0 HG1 THR A 512 -4.444 8.704 6.104 1.00 13.22 H new ATOM 0 HG21 THR A 512 -1.128 7.844 5.508 1.00 11.32 H new ATOM 0 HG22 THR A 512 -0.955 8.737 3.979 1.00 11.32 H new ATOM 0 HG23 THR A 512 -1.022 9.621 5.522 1.00 11.32 H new ATOM 182 N HIS A 513 -3.171 12.051 5.577 1.00 33.21 N ATOM 183 CA HIS A 513 -2.550 13.229 6.144 1.00 75.11 C ATOM 184 C HIS A 513 -2.193 12.965 7.568 1.00 25.45 C ATOM 185 O HIS A 513 -3.006 12.452 8.345 1.00 13.52 O ATOM 186 CB HIS A 513 -3.430 14.483 6.022 1.00 10.31 C ATOM 187 CG HIS A 513 -3.542 15.025 4.624 1.00 21.14 C ATOM 188 ND1 HIS A 513 -3.145 16.289 4.253 1.00 21.21 N ATOM 189 CD2 HIS A 513 -4.042 14.459 3.511 1.00 45.43 C ATOM 190 CE1 HIS A 513 -3.410 16.447 2.959 1.00 34.42 C ATOM 191 NE2 HIS A 513 -3.962 15.362 2.454 1.00 21.53 N ATOM 0 H HIS A 513 -4.054 11.788 6.015 1.00 33.21 H new ATOM 0 HA HIS A 513 -1.646 13.436 5.571 1.00 75.11 H new ATOM 0 HB2 HIS A 513 -4.429 14.249 6.390 1.00 10.31 H new ATOM 0 HB3 HIS A 513 -3.026 15.261 6.670 1.00 10.31 H new ATOM 0 HD1 HIS A 513 -2.720 16.986 4.865 1.00 21.21 H new ATOM 0 HD2 HIS A 513 -4.444 13.458 3.447 1.00 45.43 H new ATOM 0 HE1 HIS A 513 -3.201 17.345 2.397 1.00 34.42 H new ATOM 199 N VAL A 514 -0.988 13.284 7.914 1.00 3.33 N ATOM 200 CA VAL A 514 -0.484 12.998 9.223 1.00 22.35 C ATOM 201 C VAL A 514 0.071 14.236 9.829 1.00 40.03 C ATOM 202 O VAL A 514 0.328 15.232 9.128 1.00 73.13 O ATOM 203 CB VAL A 514 0.604 11.865 9.195 1.00 61.20 C ATOM 204 CG1 VAL A 514 0.053 10.585 8.568 1.00 5.30 C ATOM 205 CG2 VAL A 514 1.857 12.311 8.451 1.00 23.23 C ATOM 0 H VAL A 514 -0.322 13.751 7.298 1.00 3.33 H new ATOM 0 HA VAL A 514 -1.313 12.636 9.832 1.00 22.35 H new ATOM 0 HB VAL A 514 0.875 11.658 10.230 1.00 61.20 H new ATOM 0 HG11 VAL A 514 0.829 9.819 8.563 1.00 5.30 H new ATOM 0 HG12 VAL A 514 -0.800 10.233 9.149 1.00 5.30 H new ATOM 0 HG13 VAL A 514 -0.263 10.788 7.545 1.00 5.30 H new ATOM 0 HG21 VAL A 514 2.588 11.502 8.452 1.00 23.23 H new ATOM 0 HG22 VAL A 514 1.599 12.566 7.423 1.00 23.23 H new ATOM 0 HG23 VAL A 514 2.282 13.184 8.945 1.00 23.23 H new ATOM 215 N SER A 515 0.194 14.200 11.112 1.00 64.43 N ATOM 216 CA SER A 515 0.777 15.241 11.850 1.00 23.44 C ATOM 217 C SER A 515 2.283 15.168 11.660 1.00 32.23 C ATOM 218 O SER A 515 2.810 14.100 11.380 1.00 33.31 O ATOM 219 CB SER A 515 0.416 15.011 13.289 1.00 71.24 C ATOM 220 OG SER A 515 -0.991 15.073 13.486 1.00 2.21 O ATOM 0 H SER A 515 -0.122 13.416 11.683 1.00 64.43 H new ATOM 0 HA SER A 515 0.428 16.223 11.530 1.00 23.44 H new ATOM 0 HB2 SER A 515 0.787 14.037 13.608 1.00 71.24 H new ATOM 0 HB3 SER A 515 0.906 15.759 13.913 1.00 71.24 H new ATOM 0 HG SER A 515 -1.196 14.918 14.432 1.00 2.21 H new ATOM 226 N GLU A 516 2.972 16.265 11.777 1.00 51.04 N ATOM 227 CA GLU A 516 4.393 16.218 11.591 1.00 63.35 C ATOM 228 C GLU A 516 5.111 15.902 12.905 1.00 2.24 C ATOM 229 O GLU A 516 6.209 15.340 12.918 1.00 12.01 O ATOM 230 CB GLU A 516 4.894 17.489 10.925 1.00 15.22 C ATOM 231 CG GLU A 516 6.339 17.418 10.512 1.00 43.43 C ATOM 232 CD GLU A 516 6.706 18.487 9.554 1.00 34.23 C ATOM 233 OE1 GLU A 516 7.075 19.603 9.925 1.00 52.42 O ATOM 234 OE2 GLU A 516 6.704 18.291 8.340 1.00 35.14 O ATOM 0 H GLU A 516 2.585 17.183 11.995 1.00 51.04 H new ATOM 0 HA GLU A 516 4.630 15.400 10.911 1.00 63.35 H new ATOM 0 HB2 GLU A 516 4.283 17.695 10.047 1.00 15.22 H new ATOM 0 HB3 GLU A 516 4.760 18.326 11.610 1.00 15.22 H new ATOM 0 HG2 GLU A 516 6.971 17.494 11.397 1.00 43.43 H new ATOM 0 HG3 GLU A 516 6.538 16.446 10.061 1.00 43.43 H new ATOM 241 N SER A 517 4.484 16.211 14.005 1.00 63.51 N ATOM 242 CA SER A 517 5.043 15.884 15.268 1.00 20.41 C ATOM 243 C SER A 517 4.319 14.670 15.794 1.00 72.43 C ATOM 244 O SER A 517 3.433 14.750 16.656 1.00 44.44 O ATOM 245 CB SER A 517 5.001 17.053 16.259 1.00 33.54 C ATOM 246 OG SER A 517 5.722 16.744 17.451 1.00 2.13 O ATOM 0 H SER A 517 3.584 16.690 14.043 1.00 63.51 H new ATOM 0 HA SER A 517 6.103 15.663 15.144 1.00 20.41 H new ATOM 0 HB2 SER A 517 5.426 17.943 15.794 1.00 33.54 H new ATOM 0 HB3 SER A 517 3.966 17.286 16.507 1.00 33.54 H new ATOM 0 HG SER A 517 5.681 17.507 18.065 1.00 2.13 H new ATOM 252 N ILE A 518 4.583 13.587 15.148 1.00 35.21 N ATOM 253 CA ILE A 518 4.076 12.321 15.502 1.00 73.14 C ATOM 254 C ILE A 518 5.235 11.341 15.400 1.00 63.01 C ATOM 255 O ILE A 518 6.191 11.588 14.646 1.00 64.52 O ATOM 256 CB ILE A 518 2.934 11.944 14.540 1.00 54.03 C ATOM 257 CG1 ILE A 518 2.154 10.751 15.037 1.00 41.02 C ATOM 258 CG2 ILE A 518 3.448 11.694 13.130 1.00 45.35 C ATOM 259 CD1 ILE A 518 0.939 10.526 14.215 1.00 65.43 C ATOM 0 H ILE A 518 5.185 13.567 14.325 1.00 35.21 H new ATOM 0 HA ILE A 518 3.668 12.311 16.513 1.00 73.14 H new ATOM 0 HB ILE A 518 2.257 12.798 14.507 1.00 54.03 H new ATOM 0 HG12 ILE A 518 2.785 9.863 15.009 1.00 41.02 H new ATOM 0 HG13 ILE A 518 1.869 10.907 16.077 1.00 41.02 H new ATOM 0 HG21 ILE A 518 2.614 11.431 12.480 1.00 45.35 H new ATOM 0 HG22 ILE A 518 3.931 12.596 12.753 1.00 45.35 H new ATOM 0 HG23 ILE A 518 4.168 10.876 13.145 1.00 45.35 H new ATOM 0 HD11 ILE A 518 0.397 9.660 14.596 1.00 65.43 H new ATOM 0 HD12 ILE A 518 0.298 11.406 14.265 1.00 65.43 H new ATOM 0 HD13 ILE A 518 1.228 10.346 13.180 1.00 65.43 H new ATOM 271 N GLY A 519 5.196 10.297 16.152 1.00 34.45 N ATOM 272 CA GLY A 519 6.273 9.353 16.132 1.00 71.31 C ATOM 273 C GLY A 519 6.111 8.353 15.030 1.00 35.33 C ATOM 274 O GLY A 519 6.959 8.241 14.142 1.00 14.33 O ATOM 0 H GLY A 519 4.434 10.070 16.790 1.00 34.45 H new ATOM 0 HA2 GLY A 519 7.218 9.882 16.008 1.00 71.31 H new ATOM 0 HA3 GLY A 519 6.321 8.835 17.090 1.00 71.31 H new ATOM 278 N ILE A 520 5.021 7.643 15.074 1.00 2.54 N ATOM 279 CA ILE A 520 4.723 6.615 14.109 1.00 2.22 C ATOM 280 C ILE A 520 3.360 6.874 13.499 1.00 10.23 C ATOM 281 O ILE A 520 2.377 7.066 14.221 1.00 73.14 O ATOM 282 CB ILE A 520 4.712 5.196 14.784 1.00 53.21 C ATOM 283 CG1 ILE A 520 6.099 4.807 15.323 1.00 15.51 C ATOM 284 CG2 ILE A 520 4.190 4.120 13.833 1.00 14.11 C ATOM 285 CD1 ILE A 520 7.161 4.636 14.252 1.00 32.04 C ATOM 0 H ILE A 520 4.303 7.760 15.789 1.00 2.54 H new ATOM 0 HA ILE A 520 5.495 6.636 13.340 1.00 2.22 H new ATOM 0 HB ILE A 520 4.028 5.261 15.630 1.00 53.21 H new ATOM 0 HG12 ILE A 520 6.429 5.571 16.027 1.00 15.51 H new ATOM 0 HG13 ILE A 520 6.010 3.875 15.882 1.00 15.51 H new ATOM 0 HG21 ILE A 520 4.198 3.154 14.337 1.00 14.11 H new ATOM 0 HG22 ILE A 520 3.171 4.364 13.532 1.00 14.11 H new ATOM 0 HG23 ILE A 520 4.828 4.074 12.950 1.00 14.11 H new ATOM 0 HD11 ILE A 520 8.107 4.362 14.718 1.00 32.04 H new ATOM 0 HD12 ILE A 520 6.857 3.851 13.560 1.00 32.04 H new ATOM 0 HD13 ILE A 520 7.283 5.572 13.707 1.00 32.04 H new ATOM 297 N MET A 521 3.297 6.934 12.199 1.00 43.24 N ATOM 298 CA MET A 521 2.015 6.998 11.544 1.00 31.01 C ATOM 299 C MET A 521 1.732 5.614 11.030 1.00 23.43 C ATOM 300 O MET A 521 2.649 4.942 10.544 1.00 0.10 O ATOM 301 CB MET A 521 1.941 8.101 10.425 1.00 10.03 C ATOM 302 CG MET A 521 2.696 7.844 9.122 1.00 41.31 C ATOM 303 SD MET A 521 1.776 6.771 7.995 1.00 21.23 S ATOM 304 CE MET A 521 2.838 6.777 6.562 1.00 23.35 C ATOM 0 H MET A 521 4.105 6.940 11.576 1.00 43.24 H new ATOM 0 HA MET A 521 1.244 7.309 12.249 1.00 31.01 H new ATOM 0 HB2 MET A 521 0.891 8.258 10.178 1.00 10.03 H new ATOM 0 HB3 MET A 521 2.312 9.034 10.849 1.00 10.03 H new ATOM 0 HG2 MET A 521 2.900 8.795 8.629 1.00 41.31 H new ATOM 0 HG3 MET A 521 3.660 7.389 9.347 1.00 41.31 H new ATOM 0 HE1 MET A 521 2.287 7.158 5.702 1.00 23.35 H new ATOM 0 HE2 MET A 521 3.701 7.415 6.752 1.00 23.35 H new ATOM 0 HE3 MET A 521 3.176 5.761 6.355 1.00 23.35 H new ATOM 314 N GLU A 522 0.526 5.152 11.239 1.00 50.13 N ATOM 315 CA GLU A 522 0.116 3.843 10.806 1.00 3.04 C ATOM 316 C GLU A 522 -1.061 3.940 9.878 1.00 0.41 C ATOM 317 O GLU A 522 -1.989 4.726 10.114 1.00 54.13 O ATOM 318 CB GLU A 522 -0.238 2.942 11.987 1.00 72.14 C ATOM 319 CG GLU A 522 0.947 2.469 12.798 1.00 21.24 C ATOM 320 CD GLU A 522 0.547 1.559 13.926 1.00 43.20 C ATOM 321 OE1 GLU A 522 0.253 2.059 15.029 1.00 23.12 O ATOM 322 OE2 GLU A 522 0.519 0.317 13.736 1.00 71.14 O ATOM 0 H GLU A 522 -0.204 5.679 11.718 1.00 50.13 H new ATOM 0 HA GLU A 522 0.960 3.399 10.278 1.00 3.04 H new ATOM 0 HB2 GLU A 522 -0.920 3.480 12.645 1.00 72.14 H new ATOM 0 HB3 GLU A 522 -0.776 2.071 11.613 1.00 72.14 H new ATOM 0 HG2 GLU A 522 1.645 1.946 12.144 1.00 21.24 H new ATOM 0 HG3 GLU A 522 1.475 3.333 13.202 1.00 21.24 H new ATOM 329 N VAL A 523 -1.015 3.160 8.831 1.00 0.13 N ATOM 330 CA VAL A 523 -2.067 3.101 7.832 1.00 62.12 C ATOM 331 C VAL A 523 -2.580 1.678 7.772 1.00 41.53 C ATOM 332 O VAL A 523 -1.783 0.741 7.818 1.00 32.41 O ATOM 333 CB VAL A 523 -1.519 3.506 6.444 1.00 14.35 C ATOM 334 CG1 VAL A 523 -2.620 3.561 5.388 1.00 63.30 C ATOM 335 CG2 VAL A 523 -0.799 4.830 6.540 1.00 63.30 C ATOM 0 H VAL A 523 -0.234 2.533 8.638 1.00 0.13 H new ATOM 0 HA VAL A 523 -2.867 3.790 8.102 1.00 62.12 H new ATOM 0 HB VAL A 523 -0.813 2.739 6.126 1.00 14.35 H new ATOM 0 HG11 VAL A 523 -2.190 3.849 4.429 1.00 63.30 H new ATOM 0 HG12 VAL A 523 -3.086 2.580 5.297 1.00 63.30 H new ATOM 0 HG13 VAL A 523 -3.371 4.293 5.684 1.00 63.30 H new ATOM 0 HG21 VAL A 523 -0.416 5.108 5.558 1.00 63.30 H new ATOM 0 HG22 VAL A 523 -1.491 5.596 6.890 1.00 63.30 H new ATOM 0 HG23 VAL A 523 0.031 4.743 7.242 1.00 63.30 H new ATOM 345 N LYS A 524 -3.875 1.516 7.675 1.00 23.34 N ATOM 346 CA LYS A 524 -4.500 0.210 7.691 1.00 53.11 C ATOM 347 C LYS A 524 -4.589 -0.389 6.303 1.00 0.41 C ATOM 348 O LYS A 524 -5.272 0.125 5.415 1.00 72.02 O ATOM 349 CB LYS A 524 -5.866 0.286 8.351 1.00 22.12 C ATOM 350 CG LYS A 524 -5.799 0.555 9.853 1.00 34.00 C ATOM 351 CD LYS A 524 -5.411 -0.710 10.598 1.00 45.11 C ATOM 352 CE LYS A 524 -5.150 -0.512 12.078 1.00 21.04 C ATOM 353 NZ LYS A 524 -6.307 0.032 12.816 1.00 42.22 N ATOM 0 H LYS A 524 -4.533 2.289 7.582 1.00 23.34 H new ATOM 0 HA LYS A 524 -3.870 -0.456 8.281 1.00 53.11 H new ATOM 0 HB2 LYS A 524 -6.449 1.074 7.874 1.00 22.12 H new ATOM 0 HB3 LYS A 524 -6.397 -0.651 8.180 1.00 22.12 H new ATOM 0 HG2 LYS A 524 -5.073 1.342 10.056 1.00 34.00 H new ATOM 0 HG3 LYS A 524 -6.765 0.913 10.209 1.00 34.00 H new ATOM 0 HD2 LYS A 524 -6.206 -1.446 10.477 1.00 45.11 H new ATOM 0 HD3 LYS A 524 -4.516 -1.128 10.137 1.00 45.11 H new ATOM 0 HE2 LYS A 524 -4.865 -1.467 12.519 1.00 21.04 H new ATOM 0 HE3 LYS A 524 -4.302 0.161 12.202 1.00 21.04 H new ATOM 0 HZ1 LYS A 524 -6.058 0.141 13.820 1.00 42.22 H new ATOM 0 HZ2 LYS A 524 -6.567 0.958 12.421 1.00 42.22 H new ATOM 0 HZ3 LYS A 524 -7.113 -0.620 12.728 1.00 42.22 H new ATOM 367 N VAL A 525 -3.904 -1.471 6.141 1.00 72.25 N ATOM 368 CA VAL A 525 -3.839 -2.176 4.867 1.00 60.24 C ATOM 369 C VAL A 525 -4.839 -3.309 4.875 1.00 30.40 C ATOM 370 O VAL A 525 -4.932 -4.048 5.860 1.00 4.21 O ATOM 371 CB VAL A 525 -2.431 -2.766 4.611 1.00 44.41 C ATOM 372 CG1 VAL A 525 -2.313 -3.347 3.202 1.00 31.45 C ATOM 373 CG2 VAL A 525 -1.371 -1.729 4.845 1.00 73.13 C ATOM 0 H VAL A 525 -3.362 -1.910 6.885 1.00 72.25 H new ATOM 0 HA VAL A 525 -4.064 -1.460 4.077 1.00 60.24 H new ATOM 0 HB VAL A 525 -2.282 -3.581 5.319 1.00 44.41 H new ATOM 0 HG11 VAL A 525 -1.311 -3.752 3.058 1.00 31.45 H new ATOM 0 HG12 VAL A 525 -3.048 -4.142 3.073 1.00 31.45 H new ATOM 0 HG13 VAL A 525 -2.496 -2.562 2.468 1.00 31.45 H new ATOM 0 HG21 VAL A 525 -0.389 -2.164 4.660 1.00 73.13 H new ATOM 0 HG22 VAL A 525 -1.529 -0.888 4.169 1.00 73.13 H new ATOM 0 HG23 VAL A 525 -1.424 -1.380 5.876 1.00 73.13 H new ATOM 383 N LEU A 526 -5.559 -3.449 3.793 1.00 21.42 N ATOM 384 CA LEU A 526 -6.573 -4.468 3.673 1.00 55.43 C ATOM 385 C LEU A 526 -5.929 -5.795 3.348 1.00 10.34 C ATOM 386 O LEU A 526 -4.977 -5.863 2.547 1.00 22.24 O ATOM 387 CB LEU A 526 -7.618 -4.122 2.581 1.00 63.43 C ATOM 388 CG LEU A 526 -8.505 -2.865 2.777 1.00 45.04 C ATOM 389 CD1 LEU A 526 -9.284 -2.921 4.063 1.00 42.04 C ATOM 390 CD2 LEU A 526 -7.704 -1.591 2.697 1.00 14.33 C ATOM 0 H LEU A 526 -5.460 -2.859 2.967 1.00 21.42 H new ATOM 0 HA LEU A 526 -7.094 -4.526 4.629 1.00 55.43 H new ATOM 0 HB2 LEU A 526 -7.085 -4.008 1.637 1.00 63.43 H new ATOM 0 HB3 LEU A 526 -8.280 -4.981 2.472 1.00 63.43 H new ATOM 0 HG LEU A 526 -9.219 -2.862 1.954 1.00 45.04 H new ATOM 0 HD11 LEU A 526 -9.891 -2.021 4.160 1.00 42.04 H new ATOM 0 HD12 LEU A 526 -9.932 -3.797 4.058 1.00 42.04 H new ATOM 0 HD13 LEU A 526 -8.594 -2.985 4.904 1.00 42.04 H new ATOM 0 HD21 LEU A 526 -8.365 -0.736 2.840 1.00 14.33 H new ATOM 0 HD22 LEU A 526 -6.940 -1.592 3.474 1.00 14.33 H new ATOM 0 HD23 LEU A 526 -7.227 -1.522 1.719 1.00 14.33 H new ATOM 402 N ARG A 527 -6.420 -6.832 3.972 1.00 35.42 N ATOM 403 CA ARG A 527 -5.924 -8.156 3.728 1.00 52.22 C ATOM 404 C ARG A 527 -6.666 -8.729 2.543 1.00 70.43 C ATOM 405 O ARG A 527 -7.737 -8.245 2.175 1.00 72.21 O ATOM 406 CB ARG A 527 -6.160 -9.092 4.941 1.00 30.11 C ATOM 407 CG ARG A 527 -5.444 -10.449 4.812 1.00 60.23 C ATOM 408 CD ARG A 527 -5.971 -11.493 5.765 1.00 23.52 C ATOM 409 NE ARG A 527 -7.343 -11.906 5.437 1.00 42.44 N ATOM 410 CZ ARG A 527 -8.117 -12.684 6.212 1.00 20.44 C ATOM 411 NH1 ARG A 527 -7.660 -13.144 7.386 1.00 63.03 N ATOM 412 NH2 ARG A 527 -9.341 -12.992 5.812 1.00 43.54 N ATOM 0 H ARG A 527 -7.171 -6.782 4.660 1.00 35.42 H new ATOM 0 HA ARG A 527 -4.851 -8.091 3.545 1.00 52.22 H new ATOM 0 HB2 ARG A 527 -5.818 -8.593 5.848 1.00 30.11 H new ATOM 0 HB3 ARG A 527 -7.230 -9.263 5.056 1.00 30.11 H new ATOM 0 HG2 ARG A 527 -5.550 -10.813 3.790 1.00 60.23 H new ATOM 0 HG3 ARG A 527 -4.378 -10.308 4.991 1.00 60.23 H new ATOM 0 HD2 ARG A 527 -5.317 -12.365 5.744 1.00 23.52 H new ATOM 0 HD3 ARG A 527 -5.945 -11.100 6.781 1.00 23.52 H new ATOM 0 HE ARG A 527 -7.737 -11.577 4.555 1.00 42.44 H new ATOM 0 HH11 ARG A 527 -6.719 -12.904 7.696 1.00 63.03 H new ATOM 0 HH12 ARG A 527 -8.254 -13.734 7.969 1.00 63.03 H new ATOM 0 HH21 ARG A 527 -9.690 -12.639 4.921 1.00 43.54 H new ATOM 0 HH22 ARG A 527 -9.935 -13.582 6.395 1.00 43.54 H new ATOM 426 N THR A 528 -6.089 -9.726 1.948 1.00 30.42 N ATOM 427 CA THR A 528 -6.722 -10.464 0.924 1.00 12.22 C ATOM 428 C THR A 528 -7.940 -11.216 1.481 1.00 14.14 C ATOM 429 O THR A 528 -7.972 -11.606 2.671 1.00 74.25 O ATOM 430 CB THR A 528 -5.734 -11.463 0.282 1.00 73.22 C ATOM 431 OG1 THR A 528 -6.401 -12.262 -0.699 1.00 50.44 O ATOM 432 CG2 THR A 528 -5.093 -12.359 1.324 1.00 61.33 C ATOM 0 H THR A 528 -5.147 -10.048 2.172 1.00 30.42 H new ATOM 0 HA THR A 528 -7.058 -9.765 0.158 1.00 12.22 H new ATOM 0 HB THR A 528 -4.946 -10.883 -0.199 1.00 73.22 H new ATOM 0 HG1 THR A 528 -6.396 -13.200 -0.415 1.00 50.44 H new ATOM 0 HG21 THR A 528 -4.404 -13.049 0.837 1.00 61.33 H new ATOM 0 HG22 THR A 528 -4.547 -11.748 2.043 1.00 61.33 H new ATOM 0 HG23 THR A 528 -5.867 -12.925 1.843 1.00 61.33 H new ATOM 440 N SER A 529 -8.935 -11.347 0.647 1.00 3.15 N ATOM 441 CA SER A 529 -10.116 -12.098 0.928 1.00 31.44 C ATOM 442 C SER A 529 -9.735 -13.569 1.141 1.00 12.41 C ATOM 443 O SER A 529 -10.142 -14.207 2.114 1.00 43.31 O ATOM 444 CB SER A 529 -11.064 -11.962 -0.274 1.00 71.15 C ATOM 445 OG SER A 529 -12.297 -12.647 -0.064 1.00 44.22 O ATOM 0 H SER A 529 -8.941 -10.917 -0.278 1.00 3.15 H new ATOM 0 HA SER A 529 -10.608 -11.729 1.828 1.00 31.44 H new ATOM 0 HB2 SER A 529 -11.263 -10.907 -0.461 1.00 71.15 H new ATOM 0 HB3 SER A 529 -10.577 -12.357 -1.166 1.00 71.15 H new ATOM 0 HG SER A 529 -12.872 -12.535 -0.850 1.00 44.22 H new ATOM 451 N GLY A 530 -8.915 -14.069 0.249 1.00 64.42 N ATOM 452 CA GLY A 530 -8.510 -15.424 0.291 1.00 41.51 C ATOM 453 C GLY A 530 -7.061 -15.508 0.572 1.00 3.31 C ATOM 454 O GLY A 530 -6.248 -14.966 -0.177 1.00 11.22 O ATOM 0 H GLY A 530 -8.517 -13.534 -0.523 1.00 64.42 H new ATOM 0 HA2 GLY A 530 -9.070 -15.956 1.060 1.00 41.51 H new ATOM 0 HA3 GLY A 530 -8.734 -15.909 -0.659 1.00 41.51 H new ATOM 458 N ALA A 531 -6.743 -16.098 1.669 1.00 63.35 N ATOM 459 CA ALA A 531 -5.384 -16.291 2.079 1.00 70.52 C ATOM 460 C ALA A 531 -5.188 -17.722 2.499 1.00 60.01 C ATOM 461 O ALA A 531 -5.874 -18.210 3.392 1.00 63.01 O ATOM 462 CB ALA A 531 -5.040 -15.366 3.238 1.00 55.53 C ATOM 0 H ALA A 531 -7.429 -16.470 2.325 1.00 63.35 H new ATOM 0 HA ALA A 531 -4.726 -16.059 1.241 1.00 70.52 H new ATOM 0 HB1 ALA A 531 -4.004 -15.526 3.536 1.00 55.53 H new ATOM 0 HB2 ALA A 531 -5.172 -14.329 2.928 1.00 55.53 H new ATOM 0 HB3 ALA A 531 -5.697 -15.579 4.081 1.00 55.53 H new ATOM 468 N ARG A 532 -4.307 -18.408 1.838 1.00 53.23 N ATOM 469 CA ARG A 532 -3.980 -19.751 2.217 1.00 23.33 C ATOM 470 C ARG A 532 -2.548 -19.811 2.673 1.00 75.54 C ATOM 471 O ARG A 532 -1.657 -20.212 1.915 1.00 22.31 O ATOM 472 CB ARG A 532 -4.233 -20.751 1.081 1.00 31.35 C ATOM 473 CG ARG A 532 -5.665 -20.778 0.582 1.00 71.25 C ATOM 474 CD ARG A 532 -6.638 -21.134 1.690 1.00 53.12 C ATOM 475 NE ARG A 532 -8.015 -21.117 1.217 1.00 11.42 N ATOM 476 CZ ARG A 532 -9.099 -21.113 1.996 1.00 71.32 C ATOM 477 NH1 ARG A 532 -8.990 -21.207 3.325 1.00 22.54 N ATOM 478 NH2 ARG A 532 -10.294 -21.017 1.448 1.00 3.32 N ATOM 0 H ARG A 532 -3.797 -18.058 1.027 1.00 53.23 H new ATOM 0 HA ARG A 532 -4.635 -20.039 3.039 1.00 23.33 H new ATOM 0 HB2 ARG A 532 -3.574 -20.510 0.247 1.00 31.35 H new ATOM 0 HB3 ARG A 532 -3.961 -21.749 1.424 1.00 31.35 H new ATOM 0 HG2 ARG A 532 -5.925 -19.804 0.169 1.00 71.25 H new ATOM 0 HG3 ARG A 532 -5.755 -21.502 -0.228 1.00 71.25 H new ATOM 0 HD2 ARG A 532 -6.399 -22.123 2.082 1.00 53.12 H new ATOM 0 HD3 ARG A 532 -6.526 -20.429 2.514 1.00 53.12 H new ATOM 0 HE ARG A 532 -8.163 -21.107 0.208 1.00 11.42 H new ATOM 0 HH11 ARG A 532 -8.069 -21.283 3.757 1.00 22.54 H new ATOM 0 HH12 ARG A 532 -9.828 -21.203 3.907 1.00 22.54 H new ATOM 0 HH21 ARG A 532 -10.386 -20.946 0.435 1.00 3.32 H new ATOM 0 HH22 ARG A 532 -11.127 -21.013 2.037 1.00 3.32 H new ATOM 492 N GLY A 533 -2.311 -19.311 3.863 1.00 52.12 N ATOM 493 CA GLY A 533 -0.992 -19.362 4.421 1.00 31.55 C ATOM 494 C GLY A 533 -0.481 -18.000 4.831 1.00 12.41 C ATOM 495 O GLY A 533 -1.239 -17.158 5.319 1.00 24.43 O ATOM 0 H GLY A 533 -3.013 -18.868 4.456 1.00 52.12 H new ATOM 0 HA2 GLY A 533 -0.994 -20.022 5.289 1.00 31.55 H new ATOM 0 HA3 GLY A 533 -0.309 -19.797 3.691 1.00 31.55 H new ATOM 499 N ASN A 534 0.790 -17.792 4.637 1.00 3.54 N ATOM 500 CA ASN A 534 1.454 -16.550 4.979 1.00 2.33 C ATOM 501 C ASN A 534 1.934 -15.876 3.702 1.00 51.20 C ATOM 502 O ASN A 534 2.484 -16.534 2.813 1.00 70.24 O ATOM 503 CB ASN A 534 2.637 -16.852 5.918 1.00 11.04 C ATOM 504 CG ASN A 534 3.432 -15.629 6.385 1.00 72.11 C ATOM 505 OD1 ASN A 534 4.634 -15.721 6.619 1.00 61.32 O ATOM 506 ND2 ASN A 534 2.790 -14.509 6.568 1.00 60.55 N ATOM 0 H ASN A 534 1.413 -18.489 4.229 1.00 3.54 H new ATOM 0 HA ASN A 534 0.765 -15.878 5.492 1.00 2.33 H new ATOM 0 HB2 ASN A 534 2.258 -17.375 6.796 1.00 11.04 H new ATOM 0 HB3 ASN A 534 3.318 -17.535 5.409 1.00 11.04 H new ATOM 0 HD21 ASN A 534 3.286 -13.687 6.912 1.00 60.55 H new ATOM 0 HD22 ASN A 534 1.791 -14.455 6.367 1.00 60.55 H new ATOM 513 N VAL A 535 1.691 -14.596 3.589 1.00 31.12 N ATOM 514 CA VAL A 535 2.072 -13.838 2.421 1.00 24.12 C ATOM 515 C VAL A 535 2.893 -12.635 2.845 1.00 65.12 C ATOM 516 O VAL A 535 2.522 -11.914 3.778 1.00 1.45 O ATOM 517 CB VAL A 535 0.822 -13.370 1.604 1.00 31.14 C ATOM 518 CG1 VAL A 535 1.214 -12.604 0.345 1.00 4.51 C ATOM 519 CG2 VAL A 535 -0.030 -14.556 1.235 1.00 12.24 C ATOM 0 H VAL A 535 1.221 -14.045 4.307 1.00 31.12 H new ATOM 0 HA VAL A 535 2.666 -14.484 1.775 1.00 24.12 H new ATOM 0 HB VAL A 535 0.253 -12.692 2.240 1.00 31.14 H new ATOM 0 HG11 VAL A 535 0.315 -12.299 -0.190 1.00 4.51 H new ATOM 0 HG12 VAL A 535 1.789 -11.720 0.621 1.00 4.51 H new ATOM 0 HG13 VAL A 535 1.819 -13.244 -0.297 1.00 4.51 H new ATOM 0 HG21 VAL A 535 -0.897 -14.219 0.667 1.00 12.24 H new ATOM 0 HG22 VAL A 535 0.554 -15.249 0.629 1.00 12.24 H new ATOM 0 HG23 VAL A 535 -0.364 -15.060 2.142 1.00 12.24 H new ATOM 529 N ILE A 536 4.005 -12.445 2.192 1.00 61.31 N ATOM 530 CA ILE A 536 4.870 -11.325 2.464 1.00 51.22 C ATOM 531 C ILE A 536 4.612 -10.245 1.445 1.00 45.31 C ATOM 532 O ILE A 536 4.633 -10.505 0.236 1.00 30.33 O ATOM 533 CB ILE A 536 6.376 -11.733 2.459 1.00 34.52 C ATOM 534 CG1 ILE A 536 6.665 -12.720 3.596 1.00 61.02 C ATOM 535 CG2 ILE A 536 7.295 -10.516 2.561 1.00 43.04 C ATOM 536 CD1 ILE A 536 6.324 -12.181 4.973 1.00 42.51 C ATOM 0 H ILE A 536 4.341 -13.063 1.453 1.00 61.31 H new ATOM 0 HA ILE A 536 4.647 -10.954 3.464 1.00 51.22 H new ATOM 0 HB ILE A 536 6.582 -12.219 1.506 1.00 34.52 H new ATOM 0 HG12 ILE A 536 6.099 -13.635 3.423 1.00 61.02 H new ATOM 0 HG13 ILE A 536 7.721 -12.989 3.572 1.00 61.02 H new ATOM 0 HG21 ILE A 536 8.335 -10.844 2.554 1.00 43.04 H new ATOM 0 HG22 ILE A 536 7.118 -9.854 1.713 1.00 43.04 H new ATOM 0 HG23 ILE A 536 7.089 -9.981 3.488 1.00 43.04 H new ATOM 0 HD11 ILE A 536 6.555 -12.934 5.726 1.00 42.51 H new ATOM 0 HD12 ILE A 536 6.909 -11.282 5.167 1.00 42.51 H new ATOM 0 HD13 ILE A 536 5.262 -11.939 5.016 1.00 42.51 H new ATOM 548 N VAL A 537 4.328 -9.065 1.926 1.00 42.42 N ATOM 549 CA VAL A 537 4.052 -7.941 1.072 1.00 61.21 C ATOM 550 C VAL A 537 5.134 -6.873 1.272 1.00 2.20 C ATOM 551 O VAL A 537 5.190 -6.234 2.321 1.00 55.41 O ATOM 552 CB VAL A 537 2.651 -7.326 1.357 1.00 13.22 C ATOM 553 CG1 VAL A 537 2.326 -6.213 0.368 1.00 53.32 C ATOM 554 CG2 VAL A 537 1.567 -8.395 1.335 1.00 21.15 C ATOM 0 H VAL A 537 4.281 -8.855 2.923 1.00 42.42 H new ATOM 0 HA VAL A 537 4.055 -8.294 0.041 1.00 61.21 H new ATOM 0 HB VAL A 537 2.681 -6.893 2.357 1.00 13.22 H new ATOM 0 HG11 VAL A 537 1.341 -5.803 0.592 1.00 53.32 H new ATOM 0 HG12 VAL A 537 3.074 -5.425 0.449 1.00 53.32 H new ATOM 0 HG13 VAL A 537 2.330 -6.614 -0.645 1.00 53.32 H new ATOM 0 HG21 VAL A 537 0.599 -7.936 1.537 1.00 21.15 H new ATOM 0 HG22 VAL A 537 1.545 -8.871 0.355 1.00 21.15 H new ATOM 0 HG23 VAL A 537 1.780 -9.144 2.097 1.00 21.15 H new ATOM 564 N PRO A 538 6.029 -6.707 0.300 1.00 33.30 N ATOM 565 CA PRO A 538 7.101 -5.713 0.378 1.00 1.40 C ATOM 566 C PRO A 538 6.578 -4.294 0.182 1.00 74.54 C ATOM 567 O PRO A 538 5.624 -4.070 -0.574 1.00 63.42 O ATOM 568 CB PRO A 538 8.024 -6.094 -0.779 1.00 23.01 C ATOM 569 CG PRO A 538 7.150 -6.794 -1.757 1.00 1.32 C ATOM 570 CD PRO A 538 6.068 -7.466 -0.960 1.00 64.22 C ATOM 0 HA PRO A 538 7.590 -5.715 1.352 1.00 1.40 H new ATOM 0 HB2 PRO A 538 8.485 -5.211 -1.223 1.00 23.01 H new ATOM 0 HB3 PRO A 538 8.834 -6.740 -0.441 1.00 23.01 H new ATOM 0 HG2 PRO A 538 6.724 -6.089 -2.471 1.00 1.32 H new ATOM 0 HG3 PRO A 538 7.719 -7.525 -2.332 1.00 1.32 H new ATOM 0 HD2 PRO A 538 5.110 -7.429 -1.478 1.00 64.22 H new ATOM 0 HD3 PRO A 538 6.296 -8.518 -0.785 1.00 64.22 H new ATOM 578 N TYR A 539 7.182 -3.351 0.860 1.00 44.22 N ATOM 579 CA TYR A 539 6.797 -1.973 0.734 1.00 43.50 C ATOM 580 C TYR A 539 8.011 -1.095 0.925 1.00 61.32 C ATOM 581 O TYR A 539 9.029 -1.542 1.486 1.00 62.21 O ATOM 582 CB TYR A 539 5.704 -1.597 1.757 1.00 63.44 C ATOM 583 CG TYR A 539 6.150 -1.550 3.210 1.00 20.52 C ATOM 584 CD1 TYR A 539 6.098 -2.672 4.015 1.00 0.22 C ATOM 585 CD2 TYR A 539 6.615 -0.368 3.771 1.00 41.40 C ATOM 586 CE1 TYR A 539 6.500 -2.619 5.337 1.00 72.23 C ATOM 587 CE2 TYR A 539 7.017 -0.308 5.078 1.00 22.45 C ATOM 588 CZ TYR A 539 6.960 -1.429 5.859 1.00 10.11 C ATOM 589 OH TYR A 539 7.362 -1.359 7.169 1.00 45.10 O ATOM 0 H TYR A 539 7.950 -3.518 1.511 1.00 44.22 H new ATOM 0 HA TYR A 539 6.384 -1.820 -0.263 1.00 43.50 H new ATOM 0 HB2 TYR A 539 5.301 -0.621 1.488 1.00 63.44 H new ATOM 0 HB3 TYR A 539 4.888 -2.314 1.669 1.00 63.44 H new ATOM 0 HD1 TYR A 539 5.738 -3.604 3.605 1.00 0.22 H new ATOM 0 HD2 TYR A 539 6.660 0.523 3.163 1.00 41.40 H new ATOM 0 HE1 TYR A 539 6.454 -3.503 5.956 1.00 72.23 H new ATOM 0 HE2 TYR A 539 7.378 0.622 5.491 1.00 22.45 H new ATOM 0 HH TYR A 539 8.048 -0.666 7.264 1.00 45.10 H new ATOM 599 N LYS A 540 7.918 0.124 0.479 1.00 62.14 N ATOM 600 CA LYS A 540 8.992 1.072 0.642 1.00 41.33 C ATOM 601 C LYS A 540 8.438 2.473 0.544 1.00 73.41 C ATOM 602 O LYS A 540 7.373 2.684 -0.062 1.00 45.03 O ATOM 603 CB LYS A 540 10.135 0.853 -0.405 1.00 3.15 C ATOM 604 CG LYS A 540 9.872 1.340 -1.851 1.00 24.35 C ATOM 605 CD LYS A 540 8.622 0.738 -2.479 1.00 10.11 C ATOM 606 CE LYS A 540 8.466 1.161 -3.931 1.00 63.42 C ATOM 607 NZ LYS A 540 9.400 0.445 -4.828 1.00 43.10 N ATOM 0 H LYS A 540 7.100 0.492 -0.007 1.00 62.14 H new ATOM 0 HA LYS A 540 9.436 0.920 1.626 1.00 41.33 H new ATOM 0 HB2 LYS A 540 11.031 1.354 -0.037 1.00 3.15 H new ATOM 0 HB3 LYS A 540 10.359 -0.213 -0.443 1.00 3.15 H new ATOM 0 HG2 LYS A 540 9.780 2.426 -1.849 1.00 24.35 H new ATOM 0 HG3 LYS A 540 10.734 1.094 -2.471 1.00 24.35 H new ATOM 0 HD2 LYS A 540 8.672 -0.349 -2.419 1.00 10.11 H new ATOM 0 HD3 LYS A 540 7.744 1.048 -1.913 1.00 10.11 H new ATOM 0 HE2 LYS A 540 7.442 0.975 -4.253 1.00 63.42 H new ATOM 0 HE3 LYS A 540 8.636 2.234 -4.015 1.00 63.42 H new ATOM 0 HZ1 LYS A 540 9.222 0.729 -5.813 1.00 43.10 H new ATOM 0 HZ2 LYS A 540 10.379 0.683 -4.571 1.00 43.10 H new ATOM 0 HZ3 LYS A 540 9.256 -0.581 -4.732 1.00 43.10 H new ATOM 621 N THR A 541 9.106 3.393 1.159 1.00 72.33 N ATOM 622 CA THR A 541 8.757 4.775 1.082 1.00 62.41 C ATOM 623 C THR A 541 9.491 5.439 -0.081 1.00 71.53 C ATOM 624 O THR A 541 10.699 5.262 -0.241 1.00 23.32 O ATOM 625 CB THR A 541 9.130 5.471 2.404 1.00 1.34 C ATOM 626 OG1 THR A 541 10.384 4.953 2.873 1.00 53.14 O ATOM 627 CG2 THR A 541 8.085 5.240 3.473 1.00 11.42 C ATOM 0 H THR A 541 9.923 3.203 1.739 1.00 72.33 H new ATOM 0 HA THR A 541 7.684 4.865 0.915 1.00 62.41 H new ATOM 0 HB THR A 541 9.196 6.542 2.210 1.00 1.34 H new ATOM 0 HG1 THR A 541 11.077 5.113 2.199 1.00 53.14 H new ATOM 0 HG21 THR A 541 8.385 5.747 4.390 1.00 11.42 H new ATOM 0 HG22 THR A 541 7.127 5.635 3.136 1.00 11.42 H new ATOM 0 HG23 THR A 541 7.990 4.171 3.664 1.00 11.42 H new ATOM 635 N ILE A 542 8.772 6.123 -0.919 1.00 34.44 N ATOM 636 CA ILE A 542 9.378 6.891 -1.979 1.00 3.44 C ATOM 637 C ILE A 542 9.514 8.306 -1.453 1.00 50.21 C ATOM 638 O ILE A 542 8.500 8.922 -1.104 1.00 51.13 O ATOM 639 CB ILE A 542 8.529 6.917 -3.303 1.00 12.45 C ATOM 640 CG1 ILE A 542 8.339 5.521 -3.939 1.00 20.13 C ATOM 641 CG2 ILE A 542 9.127 7.874 -4.328 1.00 30.44 C ATOM 642 CD1 ILE A 542 7.321 4.634 -3.256 1.00 75.20 C ATOM 0 H ILE A 542 7.753 6.168 -0.893 1.00 34.44 H new ATOM 0 HA ILE A 542 10.332 6.433 -2.242 1.00 3.44 H new ATOM 0 HB ILE A 542 7.542 7.273 -3.008 1.00 12.45 H new ATOM 0 HG12 ILE A 542 8.043 5.651 -4.980 1.00 20.13 H new ATOM 0 HG13 ILE A 542 9.300 5.007 -3.943 1.00 20.13 H new ATOM 0 HG21 ILE A 542 8.516 7.868 -5.231 1.00 30.44 H new ATOM 0 HG22 ILE A 542 9.152 8.882 -3.914 1.00 30.44 H new ATOM 0 HG23 ILE A 542 10.141 7.557 -4.573 1.00 30.44 H new ATOM 0 HD11 ILE A 542 7.262 3.679 -3.778 1.00 75.20 H new ATOM 0 HD12 ILE A 542 7.621 4.465 -2.222 1.00 75.20 H new ATOM 0 HD13 ILE A 542 6.345 5.119 -3.276 1.00 75.20 H new ATOM 654 N GLU A 543 10.741 8.799 -1.347 1.00 64.32 N ATOM 655 CA GLU A 543 10.983 10.114 -0.791 1.00 22.35 C ATOM 656 C GLU A 543 10.327 11.260 -1.556 1.00 44.40 C ATOM 657 O GLU A 543 9.631 12.082 -0.951 1.00 34.22 O ATOM 658 CB GLU A 543 12.464 10.360 -0.419 1.00 41.42 C ATOM 659 CG GLU A 543 13.522 9.904 -1.401 1.00 45.44 C ATOM 660 CD GLU A 543 13.466 10.588 -2.738 1.00 24.40 C ATOM 661 OE1 GLU A 543 14.004 11.708 -2.874 1.00 5.11 O ATOM 662 OE2 GLU A 543 12.854 10.019 -3.674 1.00 21.20 O ATOM 0 H GLU A 543 11.583 8.303 -1.641 1.00 64.32 H new ATOM 0 HA GLU A 543 10.451 10.111 0.160 1.00 22.35 H new ATOM 0 HB2 GLU A 543 12.596 11.430 -0.257 1.00 41.42 H new ATOM 0 HB3 GLU A 543 12.657 9.867 0.534 1.00 41.42 H new ATOM 0 HG2 GLU A 543 14.505 10.073 -0.961 1.00 45.44 H new ATOM 0 HG3 GLU A 543 13.421 8.829 -1.552 1.00 45.44 H new ATOM 669 N GLY A 544 10.544 11.313 -2.858 1.00 64.43 N ATOM 670 CA GLY A 544 9.906 12.293 -3.712 1.00 70.31 C ATOM 671 C GLY A 544 10.365 13.722 -3.458 1.00 0.34 C ATOM 672 O GLY A 544 11.191 14.262 -4.188 1.00 54.20 O ATOM 0 H GLY A 544 11.169 10.676 -3.352 1.00 64.43 H new ATOM 0 HA2 GLY A 544 10.104 12.038 -4.753 1.00 70.31 H new ATOM 0 HA3 GLY A 544 8.827 12.237 -3.570 1.00 70.31 H new ATOM 676 N THR A 545 9.822 14.326 -2.435 1.00 31.42 N ATOM 677 CA THR A 545 10.125 15.692 -2.091 1.00 23.20 C ATOM 678 C THR A 545 10.589 15.784 -0.628 1.00 11.42 C ATOM 679 O THR A 545 10.924 16.859 -0.138 1.00 4.33 O ATOM 680 CB THR A 545 8.882 16.610 -2.361 1.00 43.34 C ATOM 681 OG1 THR A 545 9.128 17.988 -2.016 1.00 44.12 O ATOM 682 CG2 THR A 545 7.656 16.110 -1.621 1.00 14.22 C ATOM 0 H THR A 545 9.150 13.880 -1.810 1.00 31.42 H new ATOM 0 HA THR A 545 10.942 16.045 -2.721 1.00 23.20 H new ATOM 0 HB THR A 545 8.697 16.561 -3.434 1.00 43.34 H new ATOM 0 HG1 THR A 545 9.847 18.036 -1.352 1.00 44.12 H new ATOM 0 HG21 THR A 545 6.812 16.768 -1.829 1.00 14.22 H new ATOM 0 HG22 THR A 545 7.418 15.099 -1.952 1.00 14.22 H new ATOM 0 HG23 THR A 545 7.855 16.103 -0.549 1.00 14.22 H new ATOM 690 N ALA A 546 10.602 14.658 0.061 1.00 34.01 N ATOM 691 CA ALA A 546 11.068 14.620 1.428 1.00 54.01 C ATOM 692 C ALA A 546 12.379 13.846 1.473 1.00 64.15 C ATOM 693 O ALA A 546 12.806 13.316 0.456 1.00 72.54 O ATOM 694 CB ALA A 546 10.009 14.026 2.346 1.00 60.31 C ATOM 0 H ALA A 546 10.294 13.758 -0.307 1.00 34.01 H new ATOM 0 HA ALA A 546 11.251 15.631 1.792 1.00 54.01 H new ATOM 0 HB1 ALA A 546 10.383 14.008 3.370 1.00 60.31 H new ATOM 0 HB2 ALA A 546 9.106 14.634 2.301 1.00 60.31 H new ATOM 0 HB3 ALA A 546 9.779 13.010 2.026 1.00 60.31 H new ATOM 700 N ARG A 547 13.034 13.787 2.620 1.00 71.21 N ATOM 701 CA ARG A 547 14.349 13.143 2.681 1.00 54.43 C ATOM 702 C ARG A 547 14.331 11.892 3.485 1.00 21.35 C ATOM 703 O ARG A 547 13.915 11.877 4.646 1.00 71.50 O ATOM 704 CB ARG A 547 15.470 14.050 3.197 1.00 70.42 C ATOM 705 CG ARG A 547 15.812 15.231 2.322 1.00 22.34 C ATOM 706 CD ARG A 547 14.691 16.234 2.283 1.00 1.32 C ATOM 707 NE ARG A 547 15.026 17.456 1.558 1.00 34.22 N ATOM 708 CZ ARG A 547 15.393 18.608 2.149 1.00 71.53 C ATOM 709 NH1 ARG A 547 15.535 18.672 3.471 1.00 22.55 N ATOM 710 NH2 ARG A 547 15.601 19.687 1.417 1.00 60.15 N ATOM 0 H ARG A 547 12.694 14.165 3.504 1.00 71.21 H new ATOM 0 HA ARG A 547 14.570 12.906 1.640 1.00 54.43 H new ATOM 0 HB2 ARG A 547 15.187 14.421 4.182 1.00 70.42 H new ATOM 0 HB3 ARG A 547 16.368 13.447 3.329 1.00 70.42 H new ATOM 0 HG2 ARG A 547 16.717 15.710 2.694 1.00 22.34 H new ATOM 0 HG3 ARG A 547 16.027 14.885 1.311 1.00 22.34 H new ATOM 0 HD2 ARG A 547 13.819 15.774 1.819 1.00 1.32 H new ATOM 0 HD3 ARG A 547 14.410 16.492 3.304 1.00 1.32 H new ATOM 0 HE ARG A 547 14.979 17.435 0.539 1.00 34.22 H new ATOM 0 HH11 ARG A 547 15.365 17.845 4.043 1.00 22.55 H new ATOM 0 HH12 ARG A 547 15.813 19.548 3.912 1.00 22.55 H new ATOM 0 HH21 ARG A 547 15.483 19.647 0.405 1.00 60.15 H new ATOM 0 HH22 ARG A 547 15.879 20.561 1.864 1.00 60.15 H new ATOM 724 N GLY A 548 14.838 10.883 2.889 1.00 4.40 N ATOM 725 CA GLY A 548 14.861 9.561 3.486 1.00 61.24 C ATOM 726 C GLY A 548 16.051 9.360 4.411 1.00 11.01 C ATOM 727 O GLY A 548 16.799 10.304 4.686 1.00 31.44 O ATOM 0 H GLY A 548 15.259 10.928 1.961 1.00 4.40 H new ATOM 0 HA2 GLY A 548 13.939 9.403 4.046 1.00 61.24 H new ATOM 0 HA3 GLY A 548 14.888 8.810 2.697 1.00 61.24 H new ATOM 731 N GLY A 549 16.212 8.144 4.902 1.00 1.33 N ATOM 732 CA GLY A 549 17.333 7.806 5.770 1.00 55.01 C ATOM 733 C GLY A 549 17.265 8.437 7.147 1.00 42.44 C ATOM 734 O GLY A 549 18.262 8.491 7.851 1.00 31.11 O ATOM 0 H GLY A 549 15.578 7.368 4.714 1.00 1.33 H new ATOM 0 HA2 GLY A 549 17.378 6.723 5.881 1.00 55.01 H new ATOM 0 HA3 GLY A 549 18.259 8.116 5.286 1.00 55.01 H new ATOM 738 N GLY A 550 16.102 8.925 7.538 1.00 64.04 N ATOM 739 CA GLY A 550 15.988 9.574 8.816 1.00 5.21 C ATOM 740 C GLY A 550 16.391 11.029 8.731 1.00 21.50 C ATOM 741 O GLY A 550 16.466 11.715 9.742 1.00 60.04 O ATOM 0 H GLY A 550 15.240 8.882 6.994 1.00 64.04 H new ATOM 0 HA2 GLY A 550 14.961 9.499 9.174 1.00 5.21 H new ATOM 0 HA3 GLY A 550 16.617 9.062 9.544 1.00 5.21 H new ATOM 745 N GLU A 551 16.651 11.502 7.514 1.00 51.24 N ATOM 746 CA GLU A 551 17.054 12.871 7.306 1.00 34.13 C ATOM 747 C GLU A 551 15.869 13.807 7.474 1.00 52.12 C ATOM 748 O GLU A 551 15.985 14.833 8.123 1.00 20.24 O ATOM 749 CB GLU A 551 17.771 13.050 5.951 1.00 64.52 C ATOM 750 CG GLU A 551 18.218 14.477 5.651 1.00 13.15 C ATOM 751 CD GLU A 551 19.167 14.567 4.482 1.00 40.44 C ATOM 752 OE1 GLU A 551 20.359 14.250 4.654 1.00 52.25 O ATOM 753 OE2 GLU A 551 18.744 14.983 3.380 1.00 41.25 O ATOM 0 H GLU A 551 16.586 10.947 6.661 1.00 51.24 H new ATOM 0 HA GLU A 551 17.784 13.138 8.071 1.00 34.13 H new ATOM 0 HB2 GLU A 551 18.644 12.398 5.928 1.00 64.52 H new ATOM 0 HB3 GLU A 551 17.104 12.718 5.156 1.00 64.52 H new ATOM 0 HG2 GLU A 551 17.341 15.091 5.447 1.00 13.15 H new ATOM 0 HG3 GLU A 551 18.700 14.894 6.535 1.00 13.15 H new ATOM 760 N ASP A 552 14.732 13.445 6.912 1.00 54.31 N ATOM 761 CA ASP A 552 13.514 14.247 7.110 1.00 4.30 C ATOM 762 C ASP A 552 12.372 13.311 7.482 1.00 20.41 C ATOM 763 O ASP A 552 11.438 13.681 8.179 1.00 31.33 O ATOM 764 CB ASP A 552 13.177 15.084 5.869 1.00 2.13 C ATOM 765 CG ASP A 552 12.344 16.305 6.199 1.00 3.03 C ATOM 766 OD1 ASP A 552 12.788 17.115 7.007 1.00 21.31 O ATOM 767 OD2 ASP A 552 11.309 16.537 5.601 1.00 12.41 O ATOM 0 H ASP A 552 14.614 12.620 6.324 1.00 54.31 H new ATOM 0 HA ASP A 552 13.678 14.958 7.920 1.00 4.30 H new ATOM 0 HB2 ASP A 552 14.102 15.399 5.386 1.00 2.13 H new ATOM 0 HB3 ASP A 552 12.638 14.464 5.152 1.00 2.13 H new ATOM 772 N PHE A 553 12.468 12.081 6.997 1.00 23.01 N ATOM 773 CA PHE A 553 11.596 11.006 7.397 1.00 74.51 C ATOM 774 C PHE A 553 12.431 9.735 7.420 1.00 41.44 C ATOM 775 O PHE A 553 13.498 9.681 6.773 1.00 52.21 O ATOM 776 CB PHE A 553 10.381 10.836 6.457 1.00 13.22 C ATOM 777 CG PHE A 553 10.670 10.242 5.095 1.00 73.23 C ATOM 778 CD1 PHE A 553 11.003 11.042 4.032 1.00 65.50 C ATOM 779 CD2 PHE A 553 10.584 8.874 4.892 1.00 62.15 C ATOM 780 CE1 PHE A 553 11.256 10.495 2.791 1.00 34.44 C ATOM 781 CE2 PHE A 553 10.835 8.324 3.656 1.00 15.02 C ATOM 782 CZ PHE A 553 11.173 9.134 2.605 1.00 63.30 C ATOM 0 H PHE A 553 13.166 11.807 6.306 1.00 23.01 H new ATOM 0 HA PHE A 553 11.181 11.231 8.379 1.00 74.51 H new ATOM 0 HB2 PHE A 553 9.646 10.205 6.957 1.00 13.22 H new ATOM 0 HB3 PHE A 553 9.919 11.813 6.314 1.00 13.22 H new ATOM 0 HD1 PHE A 553 11.068 12.111 4.168 1.00 65.50 H new ATOM 0 HD2 PHE A 553 10.316 8.230 5.716 1.00 62.15 H new ATOM 0 HE1 PHE A 553 11.520 11.137 1.963 1.00 34.44 H new ATOM 0 HE2 PHE A 553 10.766 7.255 3.515 1.00 15.02 H new ATOM 0 HZ PHE A 553 11.374 8.706 1.634 1.00 63.30 H new ATOM 792 N GLU A 554 11.993 8.744 8.146 1.00 33.12 N ATOM 793 CA GLU A 554 12.700 7.489 8.215 1.00 52.03 C ATOM 794 C GLU A 554 12.151 6.605 7.094 1.00 34.33 C ATOM 795 O GLU A 554 10.947 6.333 7.036 1.00 34.34 O ATOM 796 CB GLU A 554 12.473 6.876 9.603 1.00 74.01 C ATOM 797 CG GLU A 554 13.464 5.798 10.071 1.00 2.24 C ATOM 798 CD GLU A 554 13.491 4.533 9.249 1.00 61.45 C ATOM 799 OE1 GLU A 554 12.561 3.721 9.352 1.00 50.24 O ATOM 800 OE2 GLU A 554 14.485 4.315 8.530 1.00 74.40 O ATOM 0 H GLU A 554 11.141 8.780 8.705 1.00 33.12 H new ATOM 0 HA GLU A 554 13.776 7.605 8.081 1.00 52.03 H new ATOM 0 HB2 GLU A 554 12.485 7.684 10.334 1.00 74.01 H new ATOM 0 HB3 GLU A 554 11.472 6.444 9.621 1.00 74.01 H new ATOM 0 HG2 GLU A 554 14.465 6.228 10.075 1.00 2.24 H new ATOM 0 HG3 GLU A 554 13.226 5.535 11.102 1.00 2.24 H new ATOM 807 N ASP A 555 13.023 6.214 6.189 1.00 42.25 N ATOM 808 CA ASP A 555 12.643 5.420 5.021 1.00 72.21 C ATOM 809 C ASP A 555 12.389 3.995 5.408 1.00 0.21 C ATOM 810 O ASP A 555 13.321 3.205 5.586 1.00 43.14 O ATOM 811 CB ASP A 555 13.717 5.510 3.927 1.00 41.20 C ATOM 812 CG ASP A 555 13.535 4.530 2.767 1.00 32.33 C ATOM 813 OD1 ASP A 555 12.822 4.865 1.791 1.00 54.14 O ATOM 814 OD2 ASP A 555 14.170 3.445 2.779 1.00 24.24 O ATOM 0 H ASP A 555 14.018 6.434 6.235 1.00 42.25 H new ATOM 0 HA ASP A 555 11.717 5.830 4.617 1.00 72.21 H new ATOM 0 HB2 ASP A 555 13.726 6.525 3.529 1.00 41.20 H new ATOM 0 HB3 ASP A 555 14.693 5.337 4.381 1.00 41.20 H new ATOM 819 N THR A 556 11.151 3.672 5.569 1.00 62.12 N ATOM 820 CA THR A 556 10.792 2.367 5.964 1.00 24.12 C ATOM 821 C THR A 556 10.585 1.475 4.739 1.00 21.02 C ATOM 822 O THR A 556 9.567 1.515 4.032 1.00 12.50 O ATOM 823 CB THR A 556 9.586 2.346 6.955 1.00 31.21 C ATOM 824 OG1 THR A 556 9.303 1.012 7.413 1.00 24.01 O ATOM 825 CG2 THR A 556 8.344 2.951 6.348 1.00 74.23 C ATOM 0 H THR A 556 10.366 4.308 5.429 1.00 62.12 H new ATOM 0 HA THR A 556 11.623 1.949 6.532 1.00 24.12 H new ATOM 0 HB THR A 556 9.880 2.956 7.809 1.00 31.21 H new ATOM 0 HG1 THR A 556 8.597 1.042 8.092 1.00 24.01 H new ATOM 0 HG21 THR A 556 7.530 2.915 7.073 1.00 74.23 H new ATOM 0 HG22 THR A 556 8.541 3.988 6.074 1.00 74.23 H new ATOM 0 HG23 THR A 556 8.062 2.388 5.458 1.00 74.23 H new ATOM 833 N CYS A 557 11.602 0.766 4.441 1.00 51.12 N ATOM 834 CA CYS A 557 11.593 -0.188 3.406 1.00 30.01 C ATOM 835 C CYS A 557 11.641 -1.555 4.036 1.00 61.14 C ATOM 836 O CYS A 557 12.667 -1.973 4.583 1.00 61.13 O ATOM 837 CB CYS A 557 12.763 0.081 2.478 1.00 71.22 C ATOM 838 SG CYS A 557 14.269 0.571 3.353 1.00 62.34 S ATOM 0 H CYS A 557 12.495 0.836 4.928 1.00 51.12 H new ATOM 0 HA CYS A 557 10.689 -0.129 2.800 1.00 30.01 H new ATOM 0 HB2 CYS A 557 12.967 -0.815 1.891 1.00 71.22 H new ATOM 0 HB3 CYS A 557 12.487 0.867 1.775 1.00 71.22 H new ATOM 0 HG CYS A 557 14.431 1.857 3.252 1.00 62.34 H new ATOM 844 N GLY A 558 10.536 -2.235 4.003 1.00 73.25 N ATOM 845 CA GLY A 558 10.437 -3.481 4.664 1.00 44.33 C ATOM 846 C GLY A 558 9.394 -4.324 4.038 1.00 41.51 C ATOM 847 O GLY A 558 9.002 -4.084 2.888 1.00 63.23 O ATOM 0 H GLY A 558 9.689 -1.937 3.519 1.00 73.25 H new ATOM 0 HA2 GLY A 558 11.397 -3.995 4.627 1.00 44.33 H new ATOM 0 HA3 GLY A 558 10.200 -3.322 5.716 1.00 44.33 H new ATOM 851 N GLU A 559 8.899 -5.261 4.776 1.00 43.30 N ATOM 852 CA GLU A 559 7.960 -6.217 4.276 1.00 44.43 C ATOM 853 C GLU A 559 6.932 -6.530 5.349 1.00 43.43 C ATOM 854 O GLU A 559 7.284 -6.771 6.505 1.00 11.12 O ATOM 855 CB GLU A 559 8.719 -7.479 3.850 1.00 11.32 C ATOM 856 CG GLU A 559 9.640 -7.267 2.647 1.00 1.15 C ATOM 857 CD GLU A 559 10.701 -8.312 2.508 1.00 54.44 C ATOM 858 OE1 GLU A 559 11.466 -8.506 3.457 1.00 32.25 O ATOM 859 OE2 GLU A 559 10.846 -8.902 1.422 1.00 55.42 O ATOM 0 H GLU A 559 9.137 -5.389 5.760 1.00 43.30 H new ATOM 0 HA GLU A 559 7.432 -5.816 3.411 1.00 44.43 H new ATOM 0 HB2 GLU A 559 9.312 -7.837 4.692 1.00 11.32 H new ATOM 0 HB3 GLU A 559 7.999 -8.262 3.612 1.00 11.32 H new ATOM 0 HG2 GLU A 559 9.038 -7.251 1.739 1.00 1.15 H new ATOM 0 HG3 GLU A 559 10.115 -6.290 2.732 1.00 1.15 H new ATOM 866 N LEU A 560 5.685 -6.483 4.972 1.00 33.32 N ATOM 867 CA LEU A 560 4.584 -6.772 5.859 1.00 42.40 C ATOM 868 C LEU A 560 4.265 -8.243 5.797 1.00 71.24 C ATOM 869 O LEU A 560 4.262 -8.843 4.713 1.00 35.33 O ATOM 870 CB LEU A 560 3.349 -5.959 5.462 1.00 4.21 C ATOM 871 CG LEU A 560 3.446 -4.442 5.623 1.00 24.25 C ATOM 872 CD1 LEU A 560 2.239 -3.766 5.004 1.00 31.53 C ATOM 873 CD2 LEU A 560 3.557 -4.063 7.096 1.00 51.20 C ATOM 0 H LEU A 560 5.396 -6.239 4.025 1.00 33.32 H new ATOM 0 HA LEU A 560 4.868 -6.500 6.876 1.00 42.40 H new ATOM 0 HB2 LEU A 560 3.119 -6.177 4.419 1.00 4.21 H new ATOM 0 HB3 LEU A 560 2.505 -6.311 6.055 1.00 4.21 H new ATOM 0 HG LEU A 560 4.344 -4.102 5.107 1.00 24.25 H new ATOM 0 HD11 LEU A 560 2.324 -2.686 5.127 1.00 31.53 H new ATOM 0 HD12 LEU A 560 2.191 -4.007 3.942 1.00 31.53 H new ATOM 0 HD13 LEU A 560 1.333 -4.117 5.497 1.00 31.53 H new ATOM 0 HD21 LEU A 560 3.625 -2.979 7.189 1.00 51.20 H new ATOM 0 HD22 LEU A 560 2.676 -4.418 7.631 1.00 51.20 H new ATOM 0 HD23 LEU A 560 4.449 -4.520 7.523 1.00 51.20 H new ATOM 885 N GLU A 561 4.011 -8.821 6.930 1.00 73.15 N ATOM 886 CA GLU A 561 3.712 -10.218 7.017 1.00 3.44 C ATOM 887 C GLU A 561 2.208 -10.403 7.244 1.00 40.23 C ATOM 888 O GLU A 561 1.696 -10.079 8.309 1.00 72.21 O ATOM 889 CB GLU A 561 4.546 -10.842 8.156 1.00 43.03 C ATOM 890 CG GLU A 561 4.426 -12.349 8.294 1.00 1.34 C ATOM 891 CD GLU A 561 5.333 -12.918 9.364 1.00 1.54 C ATOM 892 OE1 GLU A 561 4.926 -12.988 10.540 1.00 74.14 O ATOM 893 OE2 GLU A 561 6.473 -13.308 9.049 1.00 42.30 O ATOM 0 H GLU A 561 4.005 -8.334 7.826 1.00 73.15 H new ATOM 0 HA GLU A 561 3.973 -10.725 6.088 1.00 3.44 H new ATOM 0 HB2 GLU A 561 5.595 -10.590 7.997 1.00 43.03 H new ATOM 0 HB3 GLU A 561 4.247 -10.382 9.098 1.00 43.03 H new ATOM 0 HG2 GLU A 561 3.393 -12.606 8.527 1.00 1.34 H new ATOM 0 HG3 GLU A 561 4.663 -12.816 7.338 1.00 1.34 H new ATOM 900 N PHE A 562 1.509 -10.843 6.212 1.00 11.42 N ATOM 901 CA PHE A 562 0.072 -11.123 6.291 1.00 1.02 C ATOM 902 C PHE A 562 -0.152 -12.592 6.452 1.00 13.11 C ATOM 903 O PHE A 562 0.427 -13.401 5.721 1.00 41.42 O ATOM 904 CB PHE A 562 -0.665 -10.700 5.021 1.00 52.04 C ATOM 905 CG PHE A 562 -1.165 -9.291 4.960 1.00 2.21 C ATOM 906 CD1 PHE A 562 -2.319 -8.935 5.636 1.00 11.03 C ATOM 907 CD2 PHE A 562 -0.535 -8.347 4.176 1.00 60.04 C ATOM 908 CE1 PHE A 562 -2.836 -7.658 5.527 1.00 23.45 C ATOM 909 CE2 PHE A 562 -1.039 -7.063 4.069 1.00 2.00 C ATOM 910 CZ PHE A 562 -2.196 -6.722 4.742 1.00 51.23 C ATOM 0 H PHE A 562 1.915 -11.019 5.293 1.00 11.42 H new ATOM 0 HA PHE A 562 -0.309 -10.559 7.142 1.00 1.02 H new ATOM 0 HB2 PHE A 562 0.002 -10.859 4.174 1.00 52.04 H new ATOM 0 HB3 PHE A 562 -1.516 -11.367 4.886 1.00 52.04 H new ATOM 0 HD1 PHE A 562 -2.821 -9.663 6.256 1.00 11.03 H new ATOM 0 HD2 PHE A 562 0.363 -8.614 3.639 1.00 60.04 H new ATOM 0 HE1 PHE A 562 -3.740 -7.393 6.056 1.00 23.45 H new ATOM 0 HE2 PHE A 562 -0.530 -6.330 3.461 1.00 2.00 H new ATOM 0 HZ PHE A 562 -2.599 -5.724 4.654 1.00 51.23 H new ATOM 920 N GLN A 563 -0.972 -12.966 7.373 1.00 52.53 N ATOM 921 CA GLN A 563 -1.274 -14.357 7.530 1.00 63.44 C ATOM 922 C GLN A 563 -2.737 -14.592 7.251 1.00 21.53 C ATOM 923 O GLN A 563 -3.527 -13.663 7.278 1.00 3.14 O ATOM 924 CB GLN A 563 -0.918 -14.822 8.924 1.00 21.54 C ATOM 925 CG GLN A 563 0.509 -14.511 9.301 1.00 4.42 C ATOM 926 CD GLN A 563 0.885 -15.077 10.634 1.00 50.32 C ATOM 927 OE1 GLN A 563 0.707 -14.440 11.669 1.00 32.32 O ATOM 928 NE2 GLN A 563 1.437 -16.256 10.626 1.00 62.33 N ATOM 0 H GLN A 563 -1.444 -12.340 8.025 1.00 52.53 H new ATOM 0 HA GLN A 563 -0.681 -14.932 6.819 1.00 63.44 H new ATOM 0 HB2 GLN A 563 -1.589 -14.350 9.641 1.00 21.54 H new ATOM 0 HB3 GLN A 563 -1.081 -15.897 8.995 1.00 21.54 H new ATOM 0 HG2 GLN A 563 1.178 -14.910 8.539 1.00 4.42 H new ATOM 0 HG3 GLN A 563 0.650 -13.430 9.316 1.00 4.42 H new ATOM 0 HE21 GLN A 563 1.567 -16.752 9.744 1.00 62.33 H new ATOM 0 HE22 GLN A 563 1.740 -16.683 11.501 1.00 62.33 H new ATOM 937 N ASN A 564 -3.088 -15.827 6.972 1.00 71.03 N ATOM 938 CA ASN A 564 -4.487 -16.216 6.744 1.00 52.34 C ATOM 939 C ASN A 564 -5.255 -16.142 8.053 1.00 0.41 C ATOM 940 O ASN A 564 -6.463 -15.942 8.091 1.00 65.43 O ATOM 941 CB ASN A 564 -4.567 -17.649 6.173 1.00 42.13 C ATOM 942 CG ASN A 564 -4.082 -18.728 7.123 1.00 73.40 C ATOM 943 OD1 ASN A 564 -2.891 -19.019 7.183 1.00 73.33 O ATOM 944 ND2 ASN A 564 -4.984 -19.352 7.829 1.00 41.41 N ATOM 0 H ASN A 564 -2.424 -16.598 6.894 1.00 71.03 H new ATOM 0 HA ASN A 564 -4.928 -15.530 6.021 1.00 52.34 H new ATOM 0 HB2 ASN A 564 -5.600 -17.861 5.898 1.00 42.13 H new ATOM 0 HB3 ASN A 564 -3.978 -17.696 5.257 1.00 42.13 H new ATOM 0 HD21 ASN A 564 -4.708 -20.108 8.456 1.00 41.41 H new ATOM 0 HD22 ASN A 564 -5.965 -19.084 7.754 1.00 41.41 H new ATOM 951 N ASP A 565 -4.514 -16.276 9.122 1.00 13.55 N ATOM 952 CA ASP A 565 -5.037 -16.278 10.473 1.00 11.43 C ATOM 953 C ASP A 565 -5.051 -14.857 11.055 1.00 40.45 C ATOM 954 O ASP A 565 -5.614 -14.596 12.113 1.00 52.43 O ATOM 955 CB ASP A 565 -4.174 -17.229 11.318 1.00 61.10 C ATOM 956 CG ASP A 565 -4.545 -17.274 12.775 1.00 23.24 C ATOM 957 OD1 ASP A 565 -5.683 -17.651 13.108 1.00 10.02 O ATOM 958 OD2 ASP A 565 -3.696 -16.931 13.627 1.00 1.35 O ATOM 0 H ASP A 565 -3.501 -16.390 9.081 1.00 13.55 H new ATOM 0 HA ASP A 565 -6.070 -16.626 10.477 1.00 11.43 H new ATOM 0 HB2 ASP A 565 -4.251 -18.235 10.905 1.00 61.10 H new ATOM 0 HB3 ASP A 565 -3.130 -16.928 11.230 1.00 61.10 H new ATOM 963 N GLU A 566 -4.491 -13.936 10.320 1.00 11.50 N ATOM 964 CA GLU A 566 -4.389 -12.565 10.756 1.00 20.44 C ATOM 965 C GLU A 566 -5.146 -11.678 9.776 1.00 12.52 C ATOM 966 O GLU A 566 -5.373 -12.077 8.645 1.00 5.55 O ATOM 967 CB GLU A 566 -2.905 -12.147 10.791 1.00 3.24 C ATOM 968 CG GLU A 566 -2.674 -10.713 11.239 1.00 4.13 C ATOM 969 CD GLU A 566 -1.248 -10.291 11.150 1.00 22.22 C ATOM 970 OE1 GLU A 566 -0.610 -10.555 10.132 1.00 12.32 O ATOM 971 OE2 GLU A 566 -0.743 -9.615 12.085 1.00 2.32 O ATOM 0 H GLU A 566 -4.090 -14.113 9.399 1.00 11.50 H new ATOM 0 HA GLU A 566 -4.815 -12.460 11.754 1.00 20.44 H new ATOM 0 HB2 GLU A 566 -2.366 -12.817 11.461 1.00 3.24 H new ATOM 0 HB3 GLU A 566 -2.478 -12.279 9.797 1.00 3.24 H new ATOM 0 HG2 GLU A 566 -3.282 -10.046 10.628 1.00 4.13 H new ATOM 0 HG3 GLU A 566 -3.015 -10.602 12.268 1.00 4.13 H new ATOM 978 N ILE A 567 -5.601 -10.534 10.221 1.00 34.30 N ATOM 979 CA ILE A 567 -6.144 -9.545 9.322 1.00 10.04 C ATOM 980 C ILE A 567 -5.401 -8.255 9.534 1.00 61.54 C ATOM 981 O ILE A 567 -4.761 -8.089 10.576 1.00 44.54 O ATOM 982 CB ILE A 567 -7.656 -9.245 9.493 1.00 54.25 C ATOM 983 CG1 ILE A 567 -7.952 -8.626 10.862 1.00 43.01 C ATOM 984 CG2 ILE A 567 -8.490 -10.492 9.267 1.00 13.32 C ATOM 985 CD1 ILE A 567 -9.186 -7.769 10.849 1.00 63.12 C ATOM 0 H ILE A 567 -5.606 -10.263 11.204 1.00 34.30 H new ATOM 0 HA ILE A 567 -6.025 -9.963 8.322 1.00 10.04 H new ATOM 0 HB ILE A 567 -7.933 -8.514 8.734 1.00 54.25 H new ATOM 0 HG12 ILE A 567 -8.073 -9.421 11.598 1.00 43.01 H new ATOM 0 HG13 ILE A 567 -7.099 -8.025 11.178 1.00 43.01 H new ATOM 0 HG21 ILE A 567 -9.546 -10.252 9.393 1.00 13.32 H new ATOM 0 HG22 ILE A 567 -8.321 -10.864 8.257 1.00 13.32 H new ATOM 0 HG23 ILE A 567 -8.203 -11.257 9.988 1.00 13.32 H new ATOM 0 HD11 ILE A 567 -9.351 -7.354 11.843 1.00 63.12 H new ATOM 0 HD12 ILE A 567 -9.057 -6.957 10.134 1.00 63.12 H new ATOM 0 HD13 ILE A 567 -10.046 -8.374 10.561 1.00 63.12 H new ATOM 997 N VAL A 568 -5.550 -7.353 8.577 1.00 24.11 N ATOM 998 CA VAL A 568 -4.960 -6.001 8.529 1.00 15.51 C ATOM 999 C VAL A 568 -3.410 -5.921 8.800 1.00 64.41 C ATOM 1000 O VAL A 568 -2.798 -6.796 9.398 1.00 63.33 O ATOM 1001 CB VAL A 568 -5.759 -5.004 9.444 1.00 5.02 C ATOM 1002 CG1 VAL A 568 -5.331 -5.038 10.907 1.00 75.04 C ATOM 1003 CG2 VAL A 568 -5.740 -3.601 8.898 1.00 12.40 C ATOM 0 H VAL A 568 -6.121 -7.547 7.754 1.00 24.11 H new ATOM 0 HA VAL A 568 -5.060 -5.695 7.488 1.00 15.51 H new ATOM 0 HB VAL A 568 -6.790 -5.358 9.425 1.00 5.02 H new ATOM 0 HG11 VAL A 568 -5.926 -4.324 11.477 1.00 75.04 H new ATOM 0 HG12 VAL A 568 -5.484 -6.040 11.308 1.00 75.04 H new ATOM 0 HG13 VAL A 568 -4.276 -4.774 10.984 1.00 75.04 H new ATOM 0 HG21 VAL A 568 -6.304 -2.945 9.561 1.00 12.40 H new ATOM 0 HG22 VAL A 568 -4.710 -3.251 8.831 1.00 12.40 H new ATOM 0 HG23 VAL A 568 -6.192 -3.590 7.906 1.00 12.40 H new ATOM 1013 N LYS A 569 -2.805 -4.885 8.292 1.00 14.41 N ATOM 1014 CA LYS A 569 -1.410 -4.549 8.569 1.00 53.54 C ATOM 1015 C LYS A 569 -1.317 -3.072 8.707 1.00 14.30 C ATOM 1016 O LYS A 569 -2.259 -2.352 8.333 1.00 31.14 O ATOM 1017 CB LYS A 569 -0.454 -4.954 7.442 1.00 30.23 C ATOM 1018 CG LYS A 569 -0.084 -6.423 7.300 1.00 64.34 C ATOM 1019 CD LYS A 569 0.894 -6.944 8.348 1.00 15.42 C ATOM 1020 CE LYS A 569 0.232 -7.386 9.631 1.00 35.24 C ATOM 1021 NZ LYS A 569 1.115 -8.278 10.410 1.00 3.13 N ATOM 0 H LYS A 569 -3.264 -4.229 7.660 1.00 14.41 H new ATOM 0 HA LYS A 569 -1.120 -5.090 9.470 1.00 53.54 H new ATOM 0 HB2 LYS A 569 -0.896 -4.630 6.500 1.00 30.23 H new ATOM 0 HB3 LYS A 569 0.470 -4.390 7.571 1.00 30.23 H new ATOM 0 HG2 LYS A 569 -0.996 -7.018 7.348 1.00 64.34 H new ATOM 0 HG3 LYS A 569 0.348 -6.580 6.312 1.00 64.34 H new ATOM 0 HD2 LYS A 569 1.449 -7.783 7.928 1.00 15.42 H new ATOM 0 HD3 LYS A 569 1.620 -6.163 8.575 1.00 15.42 H new ATOM 0 HE2 LYS A 569 -0.026 -6.512 10.230 1.00 35.24 H new ATOM 0 HE3 LYS A 569 -0.700 -7.902 9.403 1.00 35.24 H new ATOM 0 HZ1 LYS A 569 0.592 -8.659 11.224 1.00 3.13 H new ATOM 0 HZ2 LYS A 569 1.436 -9.062 9.807 1.00 3.13 H new ATOM 0 HZ3 LYS A 569 1.939 -7.742 10.748 1.00 3.13 H new ATOM 1035 N THR A 570 -0.219 -2.614 9.222 1.00 34.20 N ATOM 1036 CA THR A 570 0.042 -1.209 9.322 1.00 70.52 C ATOM 1037 C THR A 570 1.468 -0.906 8.940 1.00 52.44 C ATOM 1038 O THR A 570 2.394 -1.615 9.351 1.00 23.31 O ATOM 1039 CB THR A 570 -0.222 -0.652 10.739 1.00 12.52 C ATOM 1040 OG1 THR A 570 0.382 -1.481 11.732 1.00 44.23 O ATOM 1041 CG2 THR A 570 -1.698 -0.488 11.030 1.00 34.34 C ATOM 0 H THR A 570 0.527 -3.206 9.587 1.00 34.20 H new ATOM 0 HA THR A 570 -0.647 -0.722 8.632 1.00 70.52 H new ATOM 0 HB THR A 570 0.232 0.339 10.774 1.00 12.52 H new ATOM 0 HG1 THR A 570 0.308 -1.049 12.608 1.00 44.23 H new ATOM 0 HG21 THR A 570 -1.829 -0.094 12.038 1.00 34.34 H new ATOM 0 HG22 THR A 570 -2.136 0.204 10.310 1.00 34.34 H new ATOM 0 HG23 THR A 570 -2.194 -1.455 10.952 1.00 34.34 H new ATOM 1049 N ILE A 571 1.656 0.095 8.121 1.00 32.23 N ATOM 1050 CA ILE A 571 2.991 0.553 7.830 1.00 31.11 C ATOM 1051 C ILE A 571 3.363 1.511 8.923 1.00 60.12 C ATOM 1052 O ILE A 571 2.636 2.466 9.166 1.00 62.31 O ATOM 1053 CB ILE A 571 3.148 1.287 6.445 1.00 64.31 C ATOM 1054 CG1 ILE A 571 2.928 0.356 5.247 1.00 25.13 C ATOM 1055 CG2 ILE A 571 4.517 1.928 6.330 1.00 53.42 C ATOM 1056 CD1 ILE A 571 1.510 -0.044 5.010 1.00 41.15 C ATOM 0 H ILE A 571 0.911 0.605 7.647 1.00 32.23 H new ATOM 0 HA ILE A 571 3.636 -0.324 7.773 1.00 31.11 H new ATOM 0 HB ILE A 571 2.372 2.052 6.419 1.00 64.31 H new ATOM 0 HG12 ILE A 571 3.306 0.847 4.350 1.00 25.13 H new ATOM 0 HG13 ILE A 571 3.524 -0.545 5.392 1.00 25.13 H new ATOM 0 HG21 ILE A 571 4.604 2.429 5.366 1.00 53.42 H new ATOM 0 HG22 ILE A 571 4.646 2.656 7.131 1.00 53.42 H new ATOM 0 HG23 ILE A 571 5.286 1.160 6.410 1.00 53.42 H new ATOM 0 HD11 ILE A 571 1.458 -0.702 4.142 1.00 41.15 H new ATOM 0 HD12 ILE A 571 1.129 -0.568 5.886 1.00 41.15 H new ATOM 0 HD13 ILE A 571 0.907 0.845 4.828 1.00 41.15 H new ATOM 1068 N SER A 572 4.426 1.234 9.606 1.00 74.25 N ATOM 1069 CA SER A 572 4.894 2.082 10.641 1.00 2.53 C ATOM 1070 C SER A 572 6.016 2.980 10.110 1.00 34.23 C ATOM 1071 O SER A 572 7.108 2.505 9.782 1.00 72.24 O ATOM 1072 CB SER A 572 5.361 1.202 11.804 1.00 34.43 C ATOM 1073 OG SER A 572 6.173 0.130 11.323 1.00 53.12 O ATOM 0 H SER A 572 4.997 0.402 9.455 1.00 74.25 H new ATOM 0 HA SER A 572 4.101 2.740 10.997 1.00 2.53 H new ATOM 0 HB2 SER A 572 5.925 1.802 12.518 1.00 34.43 H new ATOM 0 HB3 SER A 572 4.497 0.802 12.335 1.00 34.43 H new ATOM 0 HG SER A 572 6.811 0.474 10.663 1.00 53.12 H new ATOM 1079 N VAL A 573 5.728 4.255 9.964 1.00 50.11 N ATOM 1080 CA VAL A 573 6.732 5.195 9.498 1.00 70.24 C ATOM 1081 C VAL A 573 7.123 6.121 10.616 1.00 43.44 C ATOM 1082 O VAL A 573 6.256 6.774 11.224 1.00 61.24 O ATOM 1083 CB VAL A 573 6.258 6.053 8.283 1.00 5.43 C ATOM 1084 CG1 VAL A 573 7.356 7.011 7.817 1.00 43.32 C ATOM 1085 CG2 VAL A 573 5.819 5.176 7.134 1.00 73.53 C ATOM 0 H VAL A 573 4.815 4.665 10.159 1.00 50.11 H new ATOM 0 HA VAL A 573 7.581 4.596 9.167 1.00 70.24 H new ATOM 0 HB VAL A 573 5.404 6.642 8.618 1.00 5.43 H new ATOM 0 HG11 VAL A 573 6.995 7.594 6.970 1.00 43.32 H new ATOM 0 HG12 VAL A 573 7.623 7.683 8.633 1.00 43.32 H new ATOM 0 HG13 VAL A 573 8.234 6.439 7.516 1.00 43.32 H new ATOM 0 HG21 VAL A 573 5.494 5.801 6.302 1.00 73.53 H new ATOM 0 HG22 VAL A 573 6.653 4.551 6.814 1.00 73.53 H new ATOM 0 HG23 VAL A 573 4.993 4.542 7.455 1.00 73.53 H new ATOM 1095 N LYS A 574 8.401 6.150 10.906 1.00 23.22 N ATOM 1096 CA LYS A 574 8.947 7.056 11.873 1.00 2.41 C ATOM 1097 C LYS A 574 9.069 8.434 11.248 1.00 62.23 C ATOM 1098 O LYS A 574 9.828 8.644 10.285 1.00 33.35 O ATOM 1099 CB LYS A 574 10.318 6.555 12.370 1.00 73.42 C ATOM 1100 CG LYS A 574 11.070 7.507 13.312 1.00 10.43 C ATOM 1101 CD LYS A 574 10.363 7.716 14.647 1.00 35.32 C ATOM 1102 CE LYS A 574 10.219 6.409 15.403 1.00 42.41 C ATOM 1103 NZ LYS A 574 9.709 6.602 16.770 1.00 74.32 N ATOM 0 H LYS A 574 9.092 5.539 10.471 1.00 23.22 H new ATOM 0 HA LYS A 574 8.283 7.112 12.735 1.00 2.41 H new ATOM 0 HB2 LYS A 574 10.173 5.604 12.883 1.00 73.42 H new ATOM 0 HB3 LYS A 574 10.949 6.357 11.503 1.00 73.42 H new ATOM 0 HG2 LYS A 574 12.069 7.112 13.496 1.00 10.43 H new ATOM 0 HG3 LYS A 574 11.194 8.471 12.820 1.00 10.43 H new ATOM 0 HD2 LYS A 574 10.925 8.428 15.251 1.00 35.32 H new ATOM 0 HD3 LYS A 574 9.378 8.150 14.476 1.00 35.32 H new ATOM 0 HE2 LYS A 574 9.545 5.749 14.857 1.00 42.41 H new ATOM 0 HE3 LYS A 574 11.187 5.910 15.447 1.00 42.41 H new ATOM 0 HZ1 LYS A 574 9.629 5.680 17.244 1.00 74.32 H new ATOM 0 HZ2 LYS A 574 10.364 7.209 17.303 1.00 74.32 H new ATOM 0 HZ3 LYS A 574 8.773 7.054 16.731 1.00 74.32 H new ATOM 1117 N VAL A 575 8.296 9.342 11.748 1.00 60.20 N ATOM 1118 CA VAL A 575 8.342 10.693 11.281 1.00 5.13 C ATOM 1119 C VAL A 575 9.409 11.417 12.076 1.00 45.40 C ATOM 1120 O VAL A 575 9.454 11.314 13.309 1.00 33.50 O ATOM 1121 CB VAL A 575 6.964 11.398 11.419 1.00 20.11 C ATOM 1122 CG1 VAL A 575 7.015 12.822 10.875 1.00 13.43 C ATOM 1123 CG2 VAL A 575 5.887 10.595 10.695 1.00 3.21 C ATOM 0 H VAL A 575 7.616 9.171 12.489 1.00 60.20 H new ATOM 0 HA VAL A 575 8.584 10.708 10.218 1.00 5.13 H new ATOM 0 HB VAL A 575 6.717 11.451 12.479 1.00 20.11 H new ATOM 0 HG11 VAL A 575 6.036 13.289 10.986 1.00 13.43 H new ATOM 0 HG12 VAL A 575 7.756 13.397 11.430 1.00 13.43 H new ATOM 0 HG13 VAL A 575 7.289 12.799 9.820 1.00 13.43 H new ATOM 0 HG21 VAL A 575 4.926 11.099 10.799 1.00 3.21 H new ATOM 0 HG22 VAL A 575 6.142 10.514 9.638 1.00 3.21 H new ATOM 0 HG23 VAL A 575 5.823 9.598 11.130 1.00 3.21 H new ATOM 1133 N ILE A 576 10.276 12.093 11.383 1.00 35.11 N ATOM 1134 CA ILE A 576 11.399 12.762 11.989 1.00 41.24 C ATOM 1135 C ILE A 576 11.012 14.215 12.241 1.00 74.21 C ATOM 1136 O ILE A 576 10.159 14.763 11.533 1.00 13.34 O ATOM 1137 CB ILE A 576 12.641 12.700 11.031 1.00 53.30 C ATOM 1138 CG1 ILE A 576 12.922 11.250 10.579 1.00 41.00 C ATOM 1139 CG2 ILE A 576 13.890 13.304 11.664 1.00 71.31 C ATOM 1140 CD1 ILE A 576 13.267 10.276 11.675 1.00 4.55 C ATOM 0 H ILE A 576 10.227 12.199 10.370 1.00 35.11 H new ATOM 0 HA ILE A 576 11.662 12.275 12.928 1.00 41.24 H new ATOM 0 HB ILE A 576 12.391 13.301 10.156 1.00 53.30 H new ATOM 0 HG12 ILE A 576 12.044 10.878 10.051 1.00 41.00 H new ATOM 0 HG13 ILE A 576 13.742 11.266 9.862 1.00 41.00 H new ATOM 0 HG21 ILE A 576 14.722 13.238 10.963 1.00 71.31 H new ATOM 0 HG22 ILE A 576 13.704 14.350 11.909 1.00 71.31 H new ATOM 0 HG23 ILE A 576 14.138 12.757 12.574 1.00 71.31 H new ATOM 0 HD11 ILE A 576 13.444 9.291 11.244 1.00 4.55 H new ATOM 0 HD12 ILE A 576 14.166 10.613 12.192 1.00 4.55 H new ATOM 0 HD13 ILE A 576 12.441 10.219 12.384 1.00 4.55 H new ATOM 1152 N ASP A 577 11.582 14.812 13.266 1.00 44.32 N ATOM 1153 CA ASP A 577 11.332 16.225 13.551 1.00 35.11 C ATOM 1154 C ASP A 577 11.962 17.079 12.458 1.00 24.53 C ATOM 1155 O ASP A 577 13.068 16.782 12.000 1.00 0.33 O ATOM 1156 CB ASP A 577 11.859 16.629 14.936 1.00 72.04 C ATOM 1157 CG ASP A 577 11.571 18.081 15.265 1.00 51.44 C ATOM 1158 OD1 ASP A 577 10.376 18.454 15.362 1.00 73.31 O ATOM 1159 OD2 ASP A 577 12.526 18.871 15.462 1.00 71.14 O ATOM 0 H ASP A 577 12.219 14.352 13.917 1.00 44.32 H new ATOM 0 HA ASP A 577 10.255 16.390 13.563 1.00 35.11 H new ATOM 0 HB2 ASP A 577 11.405 15.991 15.694 1.00 72.04 H new ATOM 0 HB3 ASP A 577 12.935 16.457 14.977 1.00 72.04 H new ATOM 1164 N ASP A 578 11.268 18.120 12.047 1.00 44.53 N ATOM 1165 CA ASP A 578 11.696 18.931 10.907 1.00 73.14 C ATOM 1166 C ASP A 578 12.760 19.964 11.278 1.00 3.42 C ATOM 1167 O ASP A 578 13.183 20.027 12.437 1.00 10.11 O ATOM 1168 CB ASP A 578 10.512 19.598 10.262 1.00 24.33 C ATOM 1169 CG ASP A 578 10.366 19.209 8.821 1.00 71.42 C ATOM 1170 OD1 ASP A 578 11.389 19.074 8.110 1.00 51.44 O ATOM 1171 OD2 ASP A 578 9.213 19.026 8.362 1.00 13.55 O ATOM 0 H ASP A 578 10.400 18.432 12.482 1.00 44.53 H new ATOM 0 HA ASP A 578 12.158 18.250 10.192 1.00 73.14 H new ATOM 0 HB2 ASP A 578 9.605 19.330 10.804 1.00 24.33 H new ATOM 0 HB3 ASP A 578 10.620 20.680 10.337 1.00 24.33 H new ATOM 1176 N GLU A 579 13.186 20.792 10.306 1.00 34.24 N ATOM 1177 CA GLU A 579 14.302 21.707 10.535 1.00 14.12 C ATOM 1178 C GLU A 579 14.467 22.816 9.446 1.00 24.04 C ATOM 1179 O GLU A 579 14.799 23.971 9.775 1.00 72.31 O ATOM 1180 CB GLU A 579 15.642 20.919 10.637 1.00 33.34 C ATOM 1181 CG GLU A 579 16.119 20.206 9.343 1.00 22.34 C ATOM 1182 CD GLU A 579 15.325 18.965 8.936 1.00 10.42 C ATOM 1183 OE1 GLU A 579 14.178 19.079 8.402 1.00 50.42 O ATOM 1184 OE2 GLU A 579 15.851 17.866 9.075 1.00 40.10 O ATOM 0 H GLU A 579 12.778 20.841 9.373 1.00 34.24 H new ATOM 0 HA GLU A 579 14.062 22.209 11.472 1.00 14.12 H new ATOM 0 HB2 GLU A 579 16.423 21.610 10.955 1.00 33.34 H new ATOM 0 HB3 GLU A 579 15.540 20.170 11.423 1.00 33.34 H new ATOM 0 HG2 GLU A 579 16.084 20.922 8.522 1.00 22.34 H new ATOM 0 HG3 GLU A 579 17.163 19.920 9.472 1.00 22.34 H new ATOM 1191 N GLU A 580 14.236 22.469 8.185 1.00 33.25 N ATOM 1192 CA GLU A 580 14.577 23.334 7.049 1.00 64.05 C ATOM 1193 C GLU A 580 13.355 24.096 6.524 1.00 2.53 C ATOM 1194 O GLU A 580 12.303 24.149 7.197 1.00 61.43 O ATOM 1195 CB GLU A 580 15.226 22.483 5.899 1.00 63.31 C ATOM 1196 CG GLU A 580 14.272 21.556 5.086 1.00 51.30 C ATOM 1197 CD GLU A 580 13.593 20.469 5.888 1.00 44.54 C ATOM 1198 OE1 GLU A 580 12.806 20.720 6.758 1.00 74.21 O ATOM 1199 OE2 GLU A 580 13.820 19.293 5.706 1.00 63.43 O ATOM 0 H GLU A 580 13.808 21.583 7.916 1.00 33.25 H new ATOM 0 HA GLU A 580 15.296 24.074 7.400 1.00 64.05 H new ATOM 0 HB2 GLU A 580 15.710 23.167 5.202 1.00 63.31 H new ATOM 0 HB3 GLU A 580 16.010 21.864 6.335 1.00 63.31 H new ATOM 0 HG2 GLU A 580 13.505 22.172 4.617 1.00 51.30 H new ATOM 0 HG3 GLU A 580 14.842 21.090 4.282 1.00 51.30 H new ATOM 1206 N TYR A 581 13.506 24.716 5.345 1.00 2.44 N ATOM 1207 CA TYR A 581 12.395 25.368 4.670 1.00 1.45 C ATOM 1208 C TYR A 581 11.416 24.281 4.289 1.00 4.01 C ATOM 1209 O TYR A 581 11.824 23.137 4.051 1.00 14.40 O ATOM 1210 CB TYR A 581 12.858 26.094 3.368 1.00 55.42 C ATOM 1211 CG TYR A 581 13.179 25.172 2.174 1.00 25.43 C ATOM 1212 CD1 TYR A 581 12.165 24.769 1.289 1.00 14.21 C ATOM 1213 CD2 TYR A 581 14.466 24.704 1.939 1.00 41.21 C ATOM 1214 CE1 TYR A 581 12.421 23.935 0.229 1.00 23.51 C ATOM 1215 CE2 TYR A 581 14.733 23.865 0.867 1.00 63.54 C ATOM 1216 CZ TYR A 581 13.708 23.482 0.018 1.00 15.23 C ATOM 1217 OH TYR A 581 13.975 22.644 -1.047 1.00 74.24 O ATOM 0 H TYR A 581 14.393 24.775 4.845 1.00 2.44 H new ATOM 0 HA TYR A 581 11.956 26.115 5.331 1.00 1.45 H new ATOM 0 HB2 TYR A 581 12.079 26.793 3.066 1.00 55.42 H new ATOM 0 HB3 TYR A 581 13.745 26.685 3.598 1.00 55.42 H new ATOM 0 HD1 TYR A 581 11.158 25.125 1.447 1.00 14.21 H new ATOM 0 HD2 TYR A 581 15.269 24.997 2.599 1.00 41.21 H new ATOM 0 HE1 TYR A 581 11.623 23.636 -0.434 1.00 23.51 H new ATOM 0 HE2 TYR A 581 15.739 23.511 0.695 1.00 63.54 H new ATOM 0 HH TYR A 581 14.929 22.418 -1.055 1.00 74.24 H new ATOM 1227 N GLU A 582 10.170 24.584 4.210 1.00 24.42 N ATOM 1228 CA GLU A 582 9.256 23.579 3.824 1.00 22.35 C ATOM 1229 C GLU A 582 8.336 23.989 2.739 1.00 43.32 C ATOM 1230 O GLU A 582 8.057 25.171 2.518 1.00 44.42 O ATOM 1231 CB GLU A 582 8.501 22.967 4.985 1.00 60.43 C ATOM 1232 CG GLU A 582 9.377 22.150 5.887 1.00 14.51 C ATOM 1233 CD GLU A 582 8.596 21.307 6.793 1.00 42.02 C ATOM 1234 OE1 GLU A 582 8.092 20.247 6.402 1.00 0.14 O ATOM 1235 OE2 GLU A 582 8.434 21.601 7.985 1.00 64.34 O ATOM 0 H GLU A 582 9.769 25.501 4.404 1.00 24.42 H new ATOM 0 HA GLU A 582 9.891 22.795 3.412 1.00 22.35 H new ATOM 0 HB2 GLU A 582 8.032 23.761 5.565 1.00 60.43 H new ATOM 0 HB3 GLU A 582 7.699 22.338 4.599 1.00 60.43 H new ATOM 0 HG2 GLU A 582 10.034 21.523 5.284 1.00 14.51 H new ATOM 0 HG3 GLU A 582 10.016 22.813 6.470 1.00 14.51 H new ATOM 1242 N LYS A 583 7.899 22.998 2.068 1.00 3.25 N ATOM 1243 CA LYS A 583 6.958 23.067 1.023 1.00 13.54 C ATOM 1244 C LYS A 583 5.992 21.950 1.339 1.00 15.25 C ATOM 1245 O LYS A 583 6.139 21.322 2.399 1.00 0.12 O ATOM 1246 CB LYS A 583 7.658 22.807 -0.321 1.00 62.05 C ATOM 1247 CG LYS A 583 8.373 21.458 -0.407 1.00 4.21 C ATOM 1248 CD LYS A 583 9.060 21.269 -1.748 1.00 41.13 C ATOM 1249 CE LYS A 583 8.076 21.132 -2.910 1.00 4.32 C ATOM 1250 NZ LYS A 583 7.224 19.917 -2.789 1.00 24.52 N ATOM 0 H LYS A 583 8.213 22.045 2.248 1.00 3.25 H new ATOM 0 HA LYS A 583 6.468 24.037 0.945 1.00 13.54 H new ATOM 0 HB2 LYS A 583 6.919 22.865 -1.120 1.00 62.05 H new ATOM 0 HB3 LYS A 583 8.383 23.601 -0.500 1.00 62.05 H new ATOM 0 HG2 LYS A 583 9.110 21.386 0.393 1.00 4.21 H new ATOM 0 HG3 LYS A 583 7.653 20.654 -0.251 1.00 4.21 H new ATOM 0 HD2 LYS A 583 9.719 22.117 -1.935 1.00 41.13 H new ATOM 0 HD3 LYS A 583 9.689 20.380 -1.705 1.00 41.13 H new ATOM 0 HE2 LYS A 583 7.440 22.016 -2.951 1.00 4.32 H new ATOM 0 HE3 LYS A 583 8.629 21.093 -3.849 1.00 4.32 H new ATOM 0 HZ1 LYS A 583 6.735 19.745 -3.690 1.00 24.52 H new ATOM 0 HZ2 LYS A 583 7.820 19.097 -2.556 1.00 24.52 H new ATOM 0 HZ3 LYS A 583 6.521 20.059 -2.036 1.00 24.52 H new ATOM 1264 N ASN A 584 5.046 21.672 0.494 1.00 25.23 N ATOM 1265 CA ASN A 584 4.200 20.516 0.734 1.00 71.44 C ATOM 1266 C ASN A 584 5.028 19.274 0.450 1.00 43.23 C ATOM 1267 O ASN A 584 5.385 19.014 -0.713 1.00 65.10 O ATOM 1268 CB ASN A 584 2.942 20.537 -0.153 1.00 64.42 C ATOM 1269 CG ASN A 584 2.014 19.348 0.105 1.00 53.43 C ATOM 1270 OD1 ASN A 584 1.158 19.403 0.971 1.00 20.25 O ATOM 1271 ND2 ASN A 584 2.160 18.286 -0.659 1.00 53.32 N ATOM 0 H ASN A 584 4.834 22.206 -0.349 1.00 25.23 H new ATOM 0 HA ASN A 584 3.855 20.525 1.768 1.00 71.44 H new ATOM 0 HB2 ASN A 584 2.395 21.463 0.022 1.00 64.42 H new ATOM 0 HB3 ASN A 584 3.242 20.537 -1.201 1.00 64.42 H new ATOM 0 HD21 ASN A 584 1.547 17.480 -0.534 1.00 53.32 H new ATOM 0 HD22 ASN A 584 2.886 18.269 -1.376 1.00 53.32 H new ATOM 1278 N LYS A 585 5.423 18.558 1.488 1.00 14.22 N ATOM 1279 CA LYS A 585 6.222 17.390 1.286 1.00 64.31 C ATOM 1280 C LYS A 585 5.473 16.140 1.669 1.00 71.22 C ATOM 1281 O LYS A 585 4.672 16.137 2.611 1.00 14.04 O ATOM 1282 CB LYS A 585 7.666 17.513 1.879 1.00 73.02 C ATOM 1283 CG LYS A 585 7.803 17.791 3.381 1.00 31.22 C ATOM 1284 CD LYS A 585 7.568 16.560 4.236 1.00 33.40 C ATOM 1285 CE LYS A 585 7.663 16.881 5.723 1.00 61.24 C ATOM 1286 NZ LYS A 585 8.942 17.552 6.092 1.00 2.14 N ATOM 0 H LYS A 585 5.201 18.770 2.461 1.00 14.22 H new ATOM 0 HA LYS A 585 6.407 17.299 0.216 1.00 64.31 H new ATOM 0 HB2 LYS A 585 8.197 16.587 1.660 1.00 73.02 H new ATOM 0 HB3 LYS A 585 8.181 18.310 1.343 1.00 73.02 H new ATOM 0 HG2 LYS A 585 8.800 18.182 3.583 1.00 31.22 H new ATOM 0 HG3 LYS A 585 7.093 18.567 3.668 1.00 31.22 H new ATOM 0 HD2 LYS A 585 6.584 16.146 4.015 1.00 33.40 H new ATOM 0 HD3 LYS A 585 8.301 15.794 3.981 1.00 33.40 H new ATOM 0 HE2 LYS A 585 6.828 17.522 6.005 1.00 61.24 H new ATOM 0 HE3 LYS A 585 7.564 15.959 6.295 1.00 61.24 H new ATOM 0 HZ1 LYS A 585 8.957 17.730 7.116 1.00 2.14 H new ATOM 0 HZ2 LYS A 585 9.742 16.939 5.835 1.00 2.14 H new ATOM 0 HZ3 LYS A 585 9.020 18.455 5.582 1.00 2.14 H new ATOM 1300 N THR A 586 5.708 15.102 0.921 1.00 21.51 N ATOM 1301 CA THR A 586 4.986 13.888 1.041 1.00 34.34 C ATOM 1302 C THR A 586 5.813 12.753 0.519 1.00 71.02 C ATOM 1303 O THR A 586 6.681 12.947 -0.343 1.00 51.40 O ATOM 1304 CB THR A 586 3.607 14.003 0.287 1.00 52.33 C ATOM 1305 OG1 THR A 586 2.925 12.765 0.255 1.00 71.54 O ATOM 1306 CG2 THR A 586 3.757 14.530 -1.133 1.00 42.42 C ATOM 0 H THR A 586 6.426 15.085 0.196 1.00 21.51 H new ATOM 0 HA THR A 586 4.771 13.690 2.091 1.00 34.34 H new ATOM 0 HB THR A 586 3.020 14.723 0.857 1.00 52.33 H new ATOM 0 HG1 THR A 586 3.139 12.253 1.063 1.00 71.54 H new ATOM 0 HG21 THR A 586 2.776 14.589 -1.605 1.00 42.42 H new ATOM 0 HG22 THR A 586 4.207 15.522 -1.107 1.00 42.42 H new ATOM 0 HG23 THR A 586 4.395 13.857 -1.705 1.00 42.42 H new ATOM 1314 N PHE A 587 5.597 11.612 1.105 1.00 74.42 N ATOM 1315 CA PHE A 587 6.226 10.408 0.714 1.00 53.31 C ATOM 1316 C PHE A 587 5.189 9.406 0.309 1.00 33.22 C ATOM 1317 O PHE A 587 4.097 9.343 0.898 1.00 35.40 O ATOM 1318 CB PHE A 587 7.200 9.861 1.780 1.00 15.23 C ATOM 1319 CG PHE A 587 6.792 10.004 3.237 1.00 5.12 C ATOM 1320 CD1 PHE A 587 5.813 9.210 3.823 1.00 64.25 C ATOM 1321 CD2 PHE A 587 7.451 10.912 4.029 1.00 10.41 C ATOM 1322 CE1 PHE A 587 5.523 9.340 5.172 1.00 10.24 C ATOM 1323 CE2 PHE A 587 7.155 11.043 5.367 1.00 21.23 C ATOM 1324 CZ PHE A 587 6.195 10.254 5.938 1.00 4.51 C ATOM 0 H PHE A 587 4.957 11.502 1.891 1.00 74.42 H new ATOM 0 HA PHE A 587 6.855 10.621 -0.151 1.00 53.31 H new ATOM 0 HB2 PHE A 587 7.361 8.802 1.577 1.00 15.23 H new ATOM 0 HB3 PHE A 587 8.160 10.361 1.648 1.00 15.23 H new ATOM 0 HD1 PHE A 587 5.276 8.489 3.225 1.00 64.25 H new ATOM 0 HD2 PHE A 587 8.217 11.536 3.593 1.00 10.41 H new ATOM 0 HE1 PHE A 587 4.763 8.717 5.621 1.00 10.24 H new ATOM 0 HE2 PHE A 587 7.682 11.770 5.967 1.00 21.23 H new ATOM 0 HZ PHE A 587 5.968 10.352 6.989 1.00 4.51 H new ATOM 1334 N PHE A 588 5.504 8.659 -0.698 1.00 5.54 N ATOM 1335 CA PHE A 588 4.590 7.714 -1.262 1.00 62.54 C ATOM 1336 C PHE A 588 4.914 6.351 -0.717 1.00 24.11 C ATOM 1337 O PHE A 588 6.079 5.975 -0.636 1.00 53.13 O ATOM 1338 CB PHE A 588 4.730 7.703 -2.790 1.00 40.20 C ATOM 1339 CG PHE A 588 4.775 9.081 -3.399 1.00 25.20 C ATOM 1340 CD1 PHE A 588 3.641 9.859 -3.482 1.00 52.45 C ATOM 1341 CD2 PHE A 588 5.969 9.598 -3.868 1.00 65.33 C ATOM 1342 CE1 PHE A 588 3.692 11.124 -4.026 1.00 1.44 C ATOM 1343 CE2 PHE A 588 6.028 10.863 -4.410 1.00 22.44 C ATOM 1344 CZ PHE A 588 4.887 11.627 -4.490 1.00 21.14 C ATOM 0 H PHE A 588 6.413 8.686 -1.159 1.00 5.54 H new ATOM 0 HA PHE A 588 3.567 7.988 -1.003 1.00 62.54 H new ATOM 0 HB2 PHE A 588 5.639 7.165 -3.060 1.00 40.20 H new ATOM 0 HB3 PHE A 588 3.894 7.152 -3.220 1.00 40.20 H new ATOM 0 HD1 PHE A 588 2.701 9.473 -3.116 1.00 52.45 H new ATOM 0 HD2 PHE A 588 6.867 9.002 -3.808 1.00 65.33 H new ATOM 0 HE1 PHE A 588 2.794 11.721 -4.088 1.00 1.44 H new ATOM 0 HE2 PHE A 588 6.968 11.254 -4.771 1.00 22.44 H new ATOM 0 HZ PHE A 588 4.928 12.619 -4.916 1.00 21.14 H new ATOM 1354 N LEU A 589 3.925 5.647 -0.299 1.00 51.53 N ATOM 1355 CA LEU A 589 4.108 4.310 0.167 1.00 24.33 C ATOM 1356 C LEU A 589 3.518 3.405 -0.894 1.00 42.52 C ATOM 1357 O LEU A 589 2.372 3.612 -1.331 1.00 51.20 O ATOM 1358 CB LEU A 589 3.375 4.107 1.513 1.00 53.01 C ATOM 1359 CG LEU A 589 3.867 2.983 2.459 1.00 42.20 C ATOM 1360 CD1 LEU A 589 3.834 1.607 1.822 1.00 12.25 C ATOM 1361 CD2 LEU A 589 5.239 3.302 2.984 1.00 14.55 C ATOM 0 H LEU A 589 2.961 5.978 -0.268 1.00 51.53 H new ATOM 0 HA LEU A 589 5.162 4.089 0.333 1.00 24.33 H new ATOM 0 HB2 LEU A 589 3.423 5.047 2.062 1.00 53.01 H new ATOM 0 HB3 LEU A 589 2.324 3.919 1.293 1.00 53.01 H new ATOM 0 HG LEU A 589 3.166 2.946 3.293 1.00 42.20 H new ATOM 0 HD11 LEU A 589 4.191 0.866 2.537 1.00 12.25 H new ATOM 0 HD12 LEU A 589 2.812 1.366 1.529 1.00 12.25 H new ATOM 0 HD13 LEU A 589 4.475 1.599 0.941 1.00 12.25 H new ATOM 0 HD21 LEU A 589 5.570 2.503 3.647 1.00 14.55 H new ATOM 0 HD22 LEU A 589 5.935 3.394 2.150 1.00 14.55 H new ATOM 0 HD23 LEU A 589 5.208 4.241 3.536 1.00 14.55 H new ATOM 1373 N GLU A 590 4.286 2.465 -1.340 1.00 3.02 N ATOM 1374 CA GLU A 590 3.814 1.507 -2.291 1.00 34.31 C ATOM 1375 C GLU A 590 4.102 0.123 -1.784 1.00 23.33 C ATOM 1376 O GLU A 590 5.225 -0.171 -1.364 1.00 21.24 O ATOM 1377 CB GLU A 590 4.458 1.714 -3.676 1.00 54.53 C ATOM 1378 CG GLU A 590 4.030 0.676 -4.719 1.00 2.43 C ATOM 1379 CD GLU A 590 4.680 0.874 -6.067 1.00 44.12 C ATOM 1380 OE1 GLU A 590 5.781 0.335 -6.307 1.00 45.23 O ATOM 1381 OE2 GLU A 590 4.095 1.564 -6.917 1.00 11.05 O ATOM 0 H GLU A 590 5.258 2.338 -1.057 1.00 3.02 H new ATOM 0 HA GLU A 590 2.739 1.641 -2.410 1.00 34.31 H new ATOM 0 HB2 GLU A 590 4.201 2.709 -4.041 1.00 54.53 H new ATOM 0 HB3 GLU A 590 5.542 1.683 -3.570 1.00 54.53 H new ATOM 0 HG2 GLU A 590 4.274 -0.320 -4.350 1.00 2.43 H new ATOM 0 HG3 GLU A 590 2.947 0.716 -4.837 1.00 2.43 H new ATOM 1388 N ILE A 591 3.076 -0.678 -1.746 1.00 25.44 N ATOM 1389 CA ILE A 591 3.210 -2.071 -1.466 1.00 21.15 C ATOM 1390 C ILE A 591 3.302 -2.769 -2.808 1.00 60.41 C ATOM 1391 O ILE A 591 2.489 -2.502 -3.719 1.00 74.52 O ATOM 1392 CB ILE A 591 2.040 -2.634 -0.591 1.00 62.51 C ATOM 1393 CG1 ILE A 591 0.669 -2.282 -1.178 1.00 14.02 C ATOM 1394 CG2 ILE A 591 2.159 -2.146 0.848 1.00 15.31 C ATOM 1395 CD1 ILE A 591 -0.509 -2.797 -0.375 1.00 31.44 C ATOM 0 H ILE A 591 2.116 -0.376 -1.911 1.00 25.44 H new ATOM 0 HA ILE A 591 4.103 -2.249 -0.867 1.00 21.15 H new ATOM 0 HB ILE A 591 2.123 -3.721 -0.594 1.00 62.51 H new ATOM 0 HG12 ILE A 591 0.590 -1.198 -1.260 1.00 14.02 H new ATOM 0 HG13 ILE A 591 0.607 -2.684 -2.189 1.00 14.02 H new ATOM 0 HG21 ILE A 591 1.336 -2.549 1.438 1.00 15.31 H new ATOM 0 HG22 ILE A 591 3.106 -2.482 1.269 1.00 15.31 H new ATOM 0 HG23 ILE A 591 2.120 -1.057 0.867 1.00 15.31 H new ATOM 0 HD11 ILE A 591 -1.438 -2.502 -0.862 1.00 31.44 H new ATOM 0 HD12 ILE A 591 -0.460 -3.884 -0.314 1.00 31.44 H new ATOM 0 HD13 ILE A 591 -0.477 -2.375 0.630 1.00 31.44 H new ATOM 1407 N GLY A 592 4.303 -3.583 -2.954 1.00 53.43 N ATOM 1408 CA GLY A 592 4.598 -4.166 -4.227 1.00 63.11 C ATOM 1409 C GLY A 592 3.973 -5.512 -4.452 1.00 21.53 C ATOM 1410 O GLY A 592 2.860 -5.787 -4.000 1.00 24.33 O ATOM 0 H GLY A 592 4.933 -3.860 -2.201 1.00 53.43 H new ATOM 0 HA2 GLY A 592 4.262 -3.487 -5.011 1.00 63.11 H new ATOM 0 HA3 GLY A 592 5.679 -4.259 -4.329 1.00 63.11 H new ATOM 1414 N GLU A 593 4.705 -6.344 -5.150 1.00 44.31 N ATOM 1415 CA GLU A 593 4.281 -7.668 -5.506 1.00 22.02 C ATOM 1416 C GLU A 593 4.425 -8.581 -4.296 1.00 52.33 C ATOM 1417 O GLU A 593 5.535 -8.792 -3.797 1.00 71.14 O ATOM 1418 CB GLU A 593 5.157 -8.168 -6.640 1.00 32.21 C ATOM 1419 CG GLU A 593 4.827 -9.532 -7.180 1.00 21.21 C ATOM 1420 CD GLU A 593 5.915 -9.985 -8.110 1.00 30.24 C ATOM 1421 OE1 GLU A 593 6.187 -9.285 -9.092 1.00 22.25 O ATOM 1422 OE2 GLU A 593 6.566 -11.029 -7.831 1.00 22.45 O ATOM 0 H GLU A 593 5.636 -6.109 -5.494 1.00 44.31 H new ATOM 0 HA GLU A 593 3.239 -7.661 -5.825 1.00 22.02 H new ATOM 0 HB2 GLU A 593 5.099 -7.452 -7.459 1.00 32.21 H new ATOM 0 HB3 GLU A 593 6.191 -8.176 -6.296 1.00 32.21 H new ATOM 0 HG2 GLU A 593 4.718 -10.242 -6.360 1.00 21.21 H new ATOM 0 HG3 GLU A 593 3.873 -9.504 -7.707 1.00 21.21 H new ATOM 1429 N PRO A 594 3.326 -9.110 -3.799 1.00 31.10 N ATOM 1430 CA PRO A 594 3.338 -9.990 -2.652 1.00 24.21 C ATOM 1431 C PRO A 594 3.824 -11.389 -3.031 1.00 13.22 C ATOM 1432 O PRO A 594 3.808 -11.773 -4.208 1.00 42.34 O ATOM 1433 CB PRO A 594 1.876 -10.018 -2.228 1.00 71.42 C ATOM 1434 CG PRO A 594 1.126 -9.810 -3.487 1.00 53.22 C ATOM 1435 CD PRO A 594 1.968 -8.909 -4.330 1.00 64.14 C ATOM 0 HA PRO A 594 4.011 -9.654 -1.863 1.00 24.21 H new ATOM 0 HB2 PRO A 594 1.615 -10.968 -1.762 1.00 71.42 H new ATOM 0 HB3 PRO A 594 1.658 -9.236 -1.501 1.00 71.42 H new ATOM 0 HG2 PRO A 594 0.944 -10.758 -3.993 1.00 53.22 H new ATOM 0 HG3 PRO A 594 0.152 -9.361 -3.290 1.00 53.22 H new ATOM 0 HD2 PRO A 594 1.907 -9.174 -5.385 1.00 64.14 H new ATOM 0 HD3 PRO A 594 1.653 -7.869 -4.244 1.00 64.14 H new ATOM 1443 N ARG A 595 4.253 -12.141 -2.064 1.00 64.11 N ATOM 1444 CA ARG A 595 4.752 -13.459 -2.325 1.00 75.42 C ATOM 1445 C ARG A 595 4.184 -14.406 -1.313 1.00 54.51 C ATOM 1446 O ARG A 595 4.052 -14.060 -0.133 1.00 35.32 O ATOM 1447 CB ARG A 595 6.293 -13.482 -2.306 1.00 32.41 C ATOM 1448 CG ARG A 595 6.912 -13.209 -0.950 1.00 73.12 C ATOM 1449 CD ARG A 595 8.407 -13.007 -1.041 1.00 72.21 C ATOM 1450 NE ARG A 595 8.739 -11.762 -1.743 1.00 63.53 N ATOM 1451 CZ ARG A 595 9.414 -10.752 -1.199 1.00 4.51 C ATOM 1452 NH1 ARG A 595 9.929 -10.885 0.016 1.00 32.32 N ATOM 1453 NH2 ARG A 595 9.598 -9.620 -1.888 1.00 53.33 N ATOM 0 H ARG A 595 4.268 -11.864 -1.082 1.00 64.11 H new ATOM 0 HA ARG A 595 4.440 -13.771 -3.322 1.00 75.42 H new ATOM 0 HB2 ARG A 595 6.633 -14.457 -2.656 1.00 32.41 H new ATOM 0 HB3 ARG A 595 6.663 -12.742 -3.015 1.00 32.41 H new ATOM 0 HG2 ARG A 595 6.452 -12.322 -0.513 1.00 73.12 H new ATOM 0 HG3 ARG A 595 6.699 -14.042 -0.280 1.00 73.12 H new ATOM 0 HD2 ARG A 595 8.834 -12.986 -0.038 1.00 72.21 H new ATOM 0 HD3 ARG A 595 8.858 -13.851 -1.562 1.00 72.21 H new ATOM 0 HE ARG A 595 8.433 -11.664 -2.711 1.00 63.53 H new ATOM 0 HH11 ARG A 595 9.807 -11.758 0.529 1.00 32.32 H new ATOM 0 HH12 ARG A 595 10.447 -10.114 0.437 1.00 32.32 H new ATOM 0 HH21 ARG A 595 9.221 -9.530 -2.831 1.00 53.33 H new ATOM 0 HH22 ARG A 595 10.115 -8.847 -1.470 1.00 53.33 H new ATOM 1467 N LEU A 596 3.815 -15.558 -1.761 1.00 52.42 N ATOM 1468 CA LEU A 596 3.273 -16.556 -0.898 1.00 70.25 C ATOM 1469 C LEU A 596 4.466 -17.264 -0.277 1.00 63.31 C ATOM 1470 O LEU A 596 5.386 -17.647 -0.995 1.00 65.43 O ATOM 1471 CB LEU A 596 2.441 -17.552 -1.723 1.00 75.45 C ATOM 1472 CG LEU A 596 1.073 -17.991 -1.155 1.00 72.41 C ATOM 1473 CD1 LEU A 596 1.133 -18.370 0.317 1.00 31.40 C ATOM 1474 CD2 LEU A 596 -0.005 -16.957 -1.434 1.00 31.20 C ATOM 0 H LEU A 596 3.880 -15.837 -2.740 1.00 52.42 H new ATOM 0 HA LEU A 596 2.624 -16.125 -0.135 1.00 70.25 H new ATOM 0 HB2 LEU A 596 2.270 -17.113 -2.706 1.00 75.45 H new ATOM 0 HB3 LEU A 596 3.044 -18.447 -1.874 1.00 75.45 H new ATOM 0 HG LEU A 596 0.798 -18.903 -1.686 1.00 72.41 H new ATOM 0 HD11 LEU A 596 0.141 -18.669 0.656 1.00 31.40 H new ATOM 0 HD12 LEU A 596 1.828 -19.199 0.451 1.00 31.40 H new ATOM 0 HD13 LEU A 596 1.473 -17.514 0.900 1.00 31.40 H new ATOM 0 HD21 LEU A 596 -0.953 -17.299 -1.020 1.00 31.20 H new ATOM 0 HD22 LEU A 596 0.272 -16.009 -0.972 1.00 31.20 H new ATOM 0 HD23 LEU A 596 -0.107 -16.819 -2.510 1.00 31.20 H new ATOM 1486 N VAL A 597 4.476 -17.389 1.029 1.00 73.44 N ATOM 1487 CA VAL A 597 5.600 -18.033 1.726 1.00 3.02 C ATOM 1488 C VAL A 597 5.592 -19.549 1.469 1.00 73.44 C ATOM 1489 O VAL A 597 6.628 -20.227 1.518 1.00 5.51 O ATOM 1490 CB VAL A 597 5.589 -17.708 3.254 1.00 72.33 C ATOM 1491 CG1 VAL A 597 6.743 -18.382 3.989 1.00 72.21 C ATOM 1492 CG2 VAL A 597 5.666 -16.207 3.458 1.00 63.44 C ATOM 0 H VAL A 597 3.729 -17.060 1.641 1.00 73.44 H new ATOM 0 HA VAL A 597 6.528 -17.627 1.323 1.00 3.02 H new ATOM 0 HB VAL A 597 4.658 -18.096 3.667 1.00 72.33 H new ATOM 0 HG11 VAL A 597 6.697 -18.129 5.048 1.00 72.21 H new ATOM 0 HG12 VAL A 597 6.668 -19.463 3.870 1.00 72.21 H new ATOM 0 HG13 VAL A 597 7.690 -18.036 3.574 1.00 72.21 H new ATOM 0 HG21 VAL A 597 5.658 -15.984 4.525 1.00 63.44 H new ATOM 0 HG22 VAL A 597 6.586 -15.826 3.014 1.00 63.44 H new ATOM 0 HG23 VAL A 597 4.809 -15.731 2.981 1.00 63.44 H new ATOM 2055 N ARG A 633 0.204 -17.493 -7.314 1.00 51.42 N ATOM 2056 CA ARG A 633 0.989 -16.324 -6.938 1.00 41.22 C ATOM 2057 C ARG A 633 0.051 -15.173 -6.579 1.00 24.33 C ATOM 2058 O ARG A 633 -0.839 -14.866 -7.335 1.00 14.13 O ATOM 2059 CB ARG A 633 1.945 -15.840 -8.054 1.00 4.40 C ATOM 2060 CG ARG A 633 3.172 -16.708 -8.392 1.00 11.31 C ATOM 2061 CD ARG A 633 2.886 -17.896 -9.315 1.00 74.51 C ATOM 2062 NE ARG A 633 2.315 -19.088 -8.650 1.00 64.24 N ATOM 2063 CZ ARG A 633 2.407 -20.338 -9.172 1.00 2.15 C ATOM 2064 NH1 ARG A 633 3.162 -20.546 -10.251 1.00 5.21 N ATOM 2065 NH2 ARG A 633 1.798 -21.385 -8.587 1.00 62.04 N ATOM 0 HA ARG A 633 1.600 -16.626 -6.087 1.00 41.22 H new ATOM 0 HB2 ARG A 633 1.359 -15.723 -8.966 1.00 4.40 H new ATOM 0 HB3 ARG A 633 2.305 -14.849 -7.777 1.00 4.40 H new ATOM 0 HG2 ARG A 633 3.928 -16.077 -8.860 1.00 11.31 H new ATOM 0 HG3 ARG A 633 3.601 -17.083 -7.463 1.00 11.31 H new ATOM 0 HD2 ARG A 633 2.198 -17.571 -10.096 1.00 74.51 H new ATOM 0 HD3 ARG A 633 3.815 -18.185 -9.808 1.00 74.51 H new ATOM 0 HE ARG A 633 1.831 -18.965 -7.761 1.00 64.24 H new ATOM 0 HH11 ARG A 633 3.666 -19.769 -10.679 1.00 5.21 H new ATOM 0 HH12 ARG A 633 3.236 -21.482 -10.649 1.00 5.21 H new ATOM 0 HH21 ARG A 633 1.254 -21.248 -7.735 1.00 62.04 H new ATOM 0 HH22 ARG A 633 1.880 -22.316 -8.996 1.00 62.04 H new ATOM 2079 N PRO A 634 0.221 -14.542 -5.415 1.00 21.54 N ATOM 2080 CA PRO A 634 -0.618 -13.413 -5.020 1.00 34.11 C ATOM 2081 C PRO A 634 -0.235 -12.125 -5.775 1.00 3.24 C ATOM 2082 O PRO A 634 0.910 -11.967 -6.205 1.00 40.44 O ATOM 2083 CB PRO A 634 -0.345 -13.284 -3.525 1.00 5.24 C ATOM 2084 CG PRO A 634 1.036 -13.812 -3.343 1.00 54.11 C ATOM 2085 CD PRO A 634 1.236 -14.865 -4.402 1.00 23.41 C ATOM 0 HA PRO A 634 -1.672 -13.568 -5.251 1.00 34.11 H new ATOM 0 HB2 PRO A 634 -0.418 -12.247 -3.198 1.00 5.24 H new ATOM 0 HB3 PRO A 634 -1.067 -13.854 -2.940 1.00 5.24 H new ATOM 0 HG2 PRO A 634 1.772 -13.015 -3.445 1.00 54.11 H new ATOM 0 HG3 PRO A 634 1.161 -14.236 -2.347 1.00 54.11 H new ATOM 0 HD2 PRO A 634 2.243 -14.827 -4.818 1.00 23.41 H new ATOM 0 HD3 PRO A 634 1.095 -15.868 -4.000 1.00 23.41 H new ATOM 2093 N ILE A 635 -1.184 -11.211 -5.931 1.00 64.43 N ATOM 2094 CA ILE A 635 -0.942 -9.984 -6.682 1.00 61.43 C ATOM 2095 C ILE A 635 -1.392 -8.733 -5.932 1.00 22.41 C ATOM 2096 O ILE A 635 -1.877 -8.809 -4.798 1.00 23.30 O ATOM 2097 CB ILE A 635 -1.533 -10.023 -8.141 1.00 11.45 C ATOM 2098 CG1 ILE A 635 -2.966 -10.612 -8.213 1.00 53.41 C ATOM 2099 CG2 ILE A 635 -0.605 -10.761 -9.085 1.00 44.35 C ATOM 2100 CD1 ILE A 635 -4.057 -9.763 -7.602 1.00 64.01 C ATOM 0 H ILE A 635 -2.126 -11.295 -5.549 1.00 64.43 H new ATOM 0 HA ILE A 635 0.141 -9.924 -6.785 1.00 61.43 H new ATOM 0 HB ILE A 635 -1.612 -8.983 -8.459 1.00 11.45 H new ATOM 0 HG12 ILE A 635 -3.213 -10.790 -9.260 1.00 53.41 H new ATOM 0 HG13 ILE A 635 -2.965 -11.582 -7.716 1.00 53.41 H new ATOM 0 HG21 ILE A 635 -1.038 -10.773 -10.085 1.00 44.35 H new ATOM 0 HG22 ILE A 635 0.361 -10.257 -9.113 1.00 44.35 H new ATOM 0 HG23 ILE A 635 -0.470 -11.785 -8.736 1.00 44.35 H new ATOM 0 HD11 ILE A 635 -5.016 -10.271 -7.708 1.00 64.01 H new ATOM 0 HD12 ILE A 635 -3.846 -9.605 -6.544 1.00 64.01 H new ATOM 0 HD13 ILE A 635 -4.098 -8.800 -8.112 1.00 64.01 H new ATOM 2112 N LEU A 636 -1.196 -7.587 -6.557 1.00 63.40 N ATOM 2113 CA LEU A 636 -1.568 -6.317 -5.965 1.00 42.35 C ATOM 2114 C LEU A 636 -3.083 -6.129 -6.071 1.00 31.22 C ATOM 2115 O LEU A 636 -3.718 -6.696 -6.960 1.00 63.31 O ATOM 2116 CB LEU A 636 -0.745 -5.132 -6.602 1.00 73.33 C ATOM 2117 CG LEU A 636 -1.082 -4.599 -8.039 1.00 50.53 C ATOM 2118 CD1 LEU A 636 -1.393 -5.690 -9.055 1.00 23.22 C ATOM 2119 CD2 LEU A 636 -2.156 -3.525 -8.013 1.00 74.35 C ATOM 0 H LEU A 636 -0.777 -7.511 -7.484 1.00 63.40 H new ATOM 0 HA LEU A 636 -1.314 -6.315 -4.905 1.00 42.35 H new ATOM 0 HB2 LEU A 636 -0.823 -4.285 -5.920 1.00 73.33 H new ATOM 0 HB3 LEU A 636 0.301 -5.438 -6.611 1.00 73.33 H new ATOM 0 HG LEU A 636 -0.160 -4.137 -8.391 1.00 50.53 H new ATOM 0 HD11 LEU A 636 -1.615 -5.235 -10.021 1.00 23.22 H new ATOM 0 HD12 LEU A 636 -0.532 -6.351 -9.154 1.00 23.22 H new ATOM 0 HD13 LEU A 636 -2.255 -6.266 -8.718 1.00 23.22 H new ATOM 0 HD21 LEU A 636 -2.356 -3.186 -9.029 1.00 74.35 H new ATOM 0 HD22 LEU A 636 -3.069 -3.934 -7.580 1.00 74.35 H new ATOM 0 HD23 LEU A 636 -1.814 -2.683 -7.411 1.00 74.35 H new ATOM 2131 N GLY A 637 -3.648 -5.369 -5.175 1.00 71.32 N ATOM 2132 CA GLY A 637 -5.085 -5.202 -5.141 1.00 43.21 C ATOM 2133 C GLY A 637 -5.605 -4.151 -6.081 1.00 21.51 C ATOM 2134 O GLY A 637 -5.197 -4.081 -7.238 1.00 11.21 O ATOM 0 H GLY A 637 -3.141 -4.853 -4.456 1.00 71.32 H new ATOM 0 HA2 GLY A 637 -5.556 -6.155 -5.383 1.00 43.21 H new ATOM 0 HA3 GLY A 637 -5.386 -4.946 -4.125 1.00 43.21 H new ATOM 2138 N GLU A 638 -6.504 -3.348 -5.592 1.00 74.42 N ATOM 2139 CA GLU A 638 -7.139 -2.343 -6.395 1.00 60.22 C ATOM 2140 C GLU A 638 -6.147 -1.229 -6.741 1.00 11.11 C ATOM 2141 O GLU A 638 -5.898 -0.934 -7.921 1.00 54.53 O ATOM 2142 CB GLU A 638 -8.346 -1.783 -5.648 1.00 13.32 C ATOM 2143 CG GLU A 638 -9.268 -0.950 -6.506 1.00 14.45 C ATOM 2144 CD GLU A 638 -9.876 -1.770 -7.617 1.00 51.23 C ATOM 2145 OE1 GLU A 638 -9.265 -1.873 -8.709 1.00 0.24 O ATOM 2146 OE2 GLU A 638 -10.980 -2.329 -7.427 1.00 61.55 O ATOM 0 H GLU A 638 -6.819 -3.371 -4.622 1.00 74.42 H new ATOM 0 HA GLU A 638 -7.479 -2.790 -7.329 1.00 60.22 H new ATOM 0 HB2 GLU A 638 -8.913 -2.611 -5.222 1.00 13.32 H new ATOM 0 HB3 GLU A 638 -7.994 -1.175 -4.814 1.00 13.32 H new ATOM 0 HG2 GLU A 638 -10.060 -0.528 -5.888 1.00 14.45 H new ATOM 0 HG3 GLU A 638 -8.715 -0.113 -6.931 1.00 14.45 H new ATOM 2153 N HIS A 639 -5.576 -0.626 -5.729 1.00 64.00 N ATOM 2154 CA HIS A 639 -4.613 0.424 -5.928 1.00 33.12 C ATOM 2155 C HIS A 639 -3.598 0.411 -4.819 1.00 10.40 C ATOM 2156 O HIS A 639 -3.941 0.460 -3.627 1.00 65.14 O ATOM 2157 CB HIS A 639 -5.280 1.822 -6.082 1.00 5.40 C ATOM 2158 CG HIS A 639 -6.120 2.290 -4.915 1.00 71.41 C ATOM 2159 ND1 HIS A 639 -5.760 3.316 -4.067 1.00 13.32 N ATOM 2160 CD2 HIS A 639 -7.330 1.862 -4.485 1.00 2.25 C ATOM 2161 CE1 HIS A 639 -6.737 3.472 -3.170 1.00 62.54 C ATOM 2162 NE2 HIS A 639 -7.717 2.611 -3.381 1.00 11.13 N ATOM 0 H HIS A 639 -5.764 -0.848 -4.751 1.00 64.00 H new ATOM 0 HA HIS A 639 -4.100 0.231 -6.870 1.00 33.12 H new ATOM 0 HB2 HIS A 639 -4.496 2.559 -6.258 1.00 5.40 H new ATOM 0 HB3 HIS A 639 -5.908 1.806 -6.973 1.00 5.40 H new ATOM 0 HD2 HIS A 639 -7.905 1.063 -4.930 1.00 2.25 H new ATOM 0 HE1 HIS A 639 -6.727 4.205 -2.377 1.00 62.54 H new ATOM 0 HE2 HIS A 639 -8.579 2.516 -2.844 1.00 11.13 H new ATOM 2170 N THR A 640 -2.363 0.281 -5.183 1.00 14.44 N ATOM 2171 CA THR A 640 -1.339 0.287 -4.220 1.00 34.14 C ATOM 2172 C THR A 640 -0.555 1.592 -4.332 1.00 41.13 C ATOM 2173 O THR A 640 0.375 1.725 -5.124 1.00 12.44 O ATOM 2174 CB THR A 640 -0.444 -0.978 -4.357 1.00 25.41 C ATOM 2175 OG1 THR A 640 0.091 -1.077 -5.685 1.00 42.13 O ATOM 2176 CG2 THR A 640 -1.268 -2.232 -4.082 1.00 62.43 C ATOM 0 H THR A 640 -2.050 0.170 -6.147 1.00 14.44 H new ATOM 0 HA THR A 640 -1.766 0.243 -3.218 1.00 34.14 H new ATOM 0 HB THR A 640 0.370 -0.893 -3.637 1.00 25.41 H new ATOM 0 HG1 THR A 640 0.394 -0.194 -5.982 1.00 42.13 H new ATOM 0 HG21 THR A 640 -0.634 -3.113 -4.180 1.00 62.43 H new ATOM 0 HG22 THR A 640 -1.673 -2.187 -3.071 1.00 62.43 H new ATOM 0 HG23 THR A 640 -2.087 -2.293 -4.798 1.00 62.43 H new ATOM 2184 N LYS A 641 -0.990 2.562 -3.570 1.00 54.02 N ATOM 2185 CA LYS A 641 -0.426 3.887 -3.557 1.00 31.13 C ATOM 2186 C LYS A 641 -0.950 4.594 -2.353 1.00 33.24 C ATOM 2187 O LYS A 641 -2.147 4.558 -2.085 1.00 25.21 O ATOM 2188 CB LYS A 641 -0.838 4.669 -4.822 1.00 25.13 C ATOM 2189 CG LYS A 641 -0.436 6.157 -4.849 1.00 63.42 C ATOM 2190 CD LYS A 641 1.065 6.378 -4.820 1.00 34.13 C ATOM 2191 CE LYS A 641 1.392 7.850 -4.971 1.00 64.41 C ATOM 2192 NZ LYS A 641 0.972 8.396 -6.279 1.00 62.14 N ATOM 0 H LYS A 641 -1.770 2.448 -2.922 1.00 54.02 H new ATOM 0 HA LYS A 641 0.662 3.822 -3.534 1.00 31.13 H new ATOM 0 HB2 LYS A 641 -0.399 4.177 -5.690 1.00 25.13 H new ATOM 0 HB3 LYS A 641 -1.920 4.602 -4.932 1.00 25.13 H new ATOM 0 HG2 LYS A 641 -0.846 6.620 -5.746 1.00 63.42 H new ATOM 0 HG3 LYS A 641 -0.887 6.663 -3.995 1.00 63.42 H new ATOM 0 HD2 LYS A 641 1.475 6.004 -3.882 1.00 34.13 H new ATOM 0 HD3 LYS A 641 1.537 5.811 -5.623 1.00 34.13 H new ATOM 0 HE2 LYS A 641 0.903 8.410 -4.174 1.00 64.41 H new ATOM 0 HE3 LYS A 641 2.466 7.994 -4.850 1.00 64.41 H new ATOM 0 HZ1 LYS A 641 1.472 9.290 -6.459 1.00 62.14 H new ATOM 0 HZ2 LYS A 641 1.201 7.714 -7.030 1.00 62.14 H new ATOM 0 HZ3 LYS A 641 -0.053 8.569 -6.270 1.00 62.14 H new ATOM 2206 N LEU A 642 -0.072 5.168 -1.619 1.00 74.21 N ATOM 2207 CA LEU A 642 -0.423 5.944 -0.491 1.00 74.51 C ATOM 2208 C LEU A 642 0.436 7.184 -0.476 1.00 11.24 C ATOM 2209 O LEU A 642 1.644 7.096 -0.305 1.00 30.14 O ATOM 2210 CB LEU A 642 -0.175 5.149 0.767 1.00 64.40 C ATOM 2211 CG LEU A 642 -0.406 5.889 2.061 1.00 11.33 C ATOM 2212 CD1 LEU A 642 -1.888 6.110 2.320 1.00 73.43 C ATOM 2213 CD2 LEU A 642 0.267 5.180 3.204 1.00 54.31 C ATOM 0 H LEU A 642 0.932 5.110 -1.789 1.00 74.21 H new ATOM 0 HA LEU A 642 -1.477 6.217 -0.540 1.00 74.51 H new ATOM 0 HB2 LEU A 642 -0.818 4.269 0.752 1.00 64.40 H new ATOM 0 HB3 LEU A 642 0.855 4.791 0.752 1.00 64.40 H new ATOM 0 HG LEU A 642 0.046 6.877 1.973 1.00 11.33 H new ATOM 0 HD11 LEU A 642 -2.017 6.646 3.260 1.00 73.43 H new ATOM 0 HD12 LEU A 642 -2.316 6.696 1.507 1.00 73.43 H new ATOM 0 HD13 LEU A 642 -2.395 5.147 2.379 1.00 73.43 H new ATOM 0 HD21 LEU A 642 0.089 5.729 4.128 1.00 54.31 H new ATOM 0 HD22 LEU A 642 -0.139 4.172 3.297 1.00 54.31 H new ATOM 0 HD23 LEU A 642 1.339 5.124 3.016 1.00 54.31 H new ATOM 2225 N GLU A 643 -0.155 8.302 -0.719 1.00 3.34 N ATOM 2226 CA GLU A 643 0.543 9.547 -0.661 1.00 1.45 C ATOM 2227 C GLU A 643 0.338 10.115 0.744 1.00 41.02 C ATOM 2228 O GLU A 643 -0.783 10.463 1.129 1.00 74.51 O ATOM 2229 CB GLU A 643 0.000 10.502 -1.727 1.00 54.12 C ATOM 2230 CG GLU A 643 0.836 11.745 -1.911 1.00 75.20 C ATOM 2231 CD GLU A 643 0.251 12.721 -2.900 1.00 14.12 C ATOM 2232 OE1 GLU A 643 -0.663 13.477 -2.535 1.00 71.31 O ATOM 2233 OE2 GLU A 643 0.712 12.784 -4.059 1.00 55.41 O ATOM 0 H GLU A 643 -1.142 8.383 -0.965 1.00 3.34 H new ATOM 0 HA GLU A 643 1.606 9.412 -0.859 1.00 1.45 H new ATOM 0 HB2 GLU A 643 -0.063 9.973 -2.678 1.00 54.12 H new ATOM 0 HB3 GLU A 643 -1.015 10.794 -1.457 1.00 54.12 H new ATOM 0 HG2 GLU A 643 0.952 12.241 -0.948 1.00 75.20 H new ATOM 0 HG3 GLU A 643 1.833 11.457 -2.243 1.00 75.20 H new ATOM 2240 N VAL A 644 1.382 10.123 1.530 1.00 75.42 N ATOM 2241 CA VAL A 644 1.297 10.594 2.894 1.00 75.21 C ATOM 2242 C VAL A 644 1.736 12.024 2.970 1.00 10.14 C ATOM 2243 O VAL A 644 2.930 12.307 2.856 1.00 30.11 O ATOM 2244 CB VAL A 644 2.212 9.783 3.813 1.00 0.34 C ATOM 2245 CG1 VAL A 644 2.013 10.188 5.272 1.00 53.34 C ATOM 2246 CG2 VAL A 644 2.001 8.299 3.606 1.00 71.42 C ATOM 0 H VAL A 644 2.310 9.807 1.249 1.00 75.42 H new ATOM 0 HA VAL A 644 0.260 10.486 3.213 1.00 75.21 H new ATOM 0 HB VAL A 644 3.247 10.004 3.553 1.00 0.34 H new ATOM 0 HG11 VAL A 644 2.674 9.598 5.907 1.00 53.34 H new ATOM 0 HG12 VAL A 644 2.245 11.246 5.391 1.00 53.34 H new ATOM 0 HG13 VAL A 644 0.977 10.009 5.561 1.00 53.34 H new ATOM 0 HG21 VAL A 644 2.662 7.741 4.270 1.00 71.42 H new ATOM 0 HG22 VAL A 644 0.965 8.044 3.828 1.00 71.42 H new ATOM 0 HG23 VAL A 644 2.224 8.041 2.571 1.00 71.42 H new ATOM 2256 N ILE A 645 0.814 12.919 3.123 1.00 72.51 N ATOM 2257 CA ILE A 645 1.153 14.306 3.241 1.00 22.01 C ATOM 2258 C ILE A 645 1.414 14.612 4.700 1.00 20.13 C ATOM 2259 O ILE A 645 0.547 14.400 5.567 1.00 4.24 O ATOM 2260 CB ILE A 645 0.077 15.285 2.643 1.00 31.22 C ATOM 2261 CG1 ILE A 645 -0.094 15.093 1.112 1.00 71.12 C ATOM 2262 CG2 ILE A 645 0.429 16.738 2.947 1.00 62.13 C ATOM 2263 CD1 ILE A 645 -0.886 13.868 0.707 1.00 75.51 C ATOM 0 H ILE A 645 -0.185 12.716 3.170 1.00 72.51 H new ATOM 0 HA ILE A 645 2.047 14.477 2.642 1.00 22.01 H new ATOM 0 HB ILE A 645 -0.871 15.042 3.122 1.00 31.22 H new ATOM 0 HG12 ILE A 645 -0.584 15.976 0.702 1.00 71.12 H new ATOM 0 HG13 ILE A 645 0.894 15.036 0.655 1.00 71.12 H new ATOM 0 HG21 ILE A 645 -0.331 17.393 2.522 1.00 62.13 H new ATOM 0 HG22 ILE A 645 0.472 16.884 4.026 1.00 62.13 H new ATOM 0 HG23 ILE A 645 1.399 16.977 2.510 1.00 62.13 H new ATOM 0 HD11 ILE A 645 -0.951 13.820 -0.380 1.00 75.51 H new ATOM 0 HD12 ILE A 645 -0.388 12.973 1.081 1.00 75.51 H new ATOM 0 HD13 ILE A 645 -1.889 13.928 1.128 1.00 75.51 H new ATOM 2275 N ILE A 646 2.602 15.058 4.976 1.00 14.31 N ATOM 2276 CA ILE A 646 2.996 15.335 6.318 1.00 63.04 C ATOM 2277 C ILE A 646 2.909 16.804 6.472 1.00 31.42 C ATOM 2278 O ILE A 646 3.718 17.542 5.898 1.00 64.51 O ATOM 2279 CB ILE A 646 4.464 14.893 6.637 1.00 2.32 C ATOM 2280 CG1 ILE A 646 4.798 13.533 6.019 1.00 12.44 C ATOM 2281 CG2 ILE A 646 4.709 14.858 8.134 1.00 43.14 C ATOM 2282 CD1 ILE A 646 5.266 13.634 4.583 1.00 22.32 C ATOM 0 H ILE A 646 3.322 15.239 4.277 1.00 14.31 H new ATOM 0 HA ILE A 646 2.349 14.781 6.998 1.00 63.04 H new ATOM 0 HB ILE A 646 5.123 15.637 6.189 1.00 2.32 H new ATOM 0 HG12 ILE A 646 5.573 13.050 6.615 1.00 12.44 H new ATOM 0 HG13 ILE A 646 3.916 12.894 6.064 1.00 12.44 H new ATOM 0 HG21 ILE A 646 5.736 14.548 8.327 1.00 43.14 H new ATOM 0 HG22 ILE A 646 4.545 15.851 8.553 1.00 43.14 H new ATOM 0 HG23 ILE A 646 4.023 14.150 8.599 1.00 43.14 H new ATOM 0 HD11 ILE A 646 5.487 12.637 4.201 1.00 22.32 H new ATOM 0 HD12 ILE A 646 4.483 14.089 3.976 1.00 22.32 H new ATOM 0 HD13 ILE A 646 6.165 14.248 4.536 1.00 22.32 H new ATOM 2294 N GLU A 647 1.943 17.243 7.181 1.00 10.32 N ATOM 2295 CA GLU A 647 1.763 18.627 7.355 1.00 32.40 C ATOM 2296 C GLU A 647 2.067 19.014 8.757 1.00 2.43 C ATOM 2297 O GLU A 647 1.863 18.223 9.689 1.00 54.30 O ATOM 2298 CB GLU A 647 0.380 19.089 6.884 1.00 45.41 C ATOM 2299 CG GLU A 647 -0.799 18.313 7.440 1.00 40.11 C ATOM 2300 CD GLU A 647 -2.107 18.832 6.900 1.00 30.34 C ATOM 2301 OE1 GLU A 647 -2.707 19.741 7.503 1.00 70.24 O ATOM 2302 OE2 GLU A 647 -2.552 18.361 5.838 1.00 12.05 O ATOM 0 H GLU A 647 1.258 16.655 7.655 1.00 10.32 H new ATOM 0 HA GLU A 647 2.473 19.153 6.717 1.00 32.40 H new ATOM 0 HB2 GLU A 647 0.258 20.139 7.150 1.00 45.41 H new ATOM 0 HB3 GLU A 647 0.349 19.030 5.796 1.00 45.41 H new ATOM 0 HG2 GLU A 647 -0.693 17.258 7.187 1.00 40.11 H new ATOM 0 HG3 GLU A 647 -0.801 18.382 8.528 1.00 40.11 H new ATOM 2309 N GLU A 648 2.609 20.202 8.900 1.00 72.04 N ATOM 2310 CA GLU A 648 2.996 20.745 10.179 1.00 1.21 C ATOM 2311 C GLU A 648 1.827 20.691 11.143 1.00 1.00 C ATOM 2312 O GLU A 648 0.689 21.039 10.785 1.00 43.45 O ATOM 2313 CB GLU A 648 3.544 22.171 10.031 1.00 31.32 C ATOM 2314 CG GLU A 648 4.921 22.285 9.335 1.00 55.42 C ATOM 2315 CD GLU A 648 5.015 21.622 7.962 1.00 34.25 C ATOM 2316 OE1 GLU A 648 4.193 21.924 7.066 1.00 14.15 O ATOM 2317 OE2 GLU A 648 5.899 20.741 7.776 1.00 65.41 O ATOM 0 H GLU A 648 2.796 20.828 8.116 1.00 72.04 H new ATOM 0 HA GLU A 648 3.801 20.135 10.589 1.00 1.21 H new ATOM 0 HB2 GLU A 648 2.822 22.763 9.469 1.00 31.32 H new ATOM 0 HB3 GLU A 648 3.619 22.618 11.022 1.00 31.32 H new ATOM 0 HG2 GLU A 648 5.169 23.341 9.228 1.00 55.42 H new ATOM 0 HG3 GLU A 648 5.676 21.844 9.986 1.00 55.42 H new ATOM 2324 N SER A 649 2.108 20.217 12.318 1.00 22.13 N ATOM 2325 CA SER A 649 1.134 19.951 13.342 1.00 5.15 C ATOM 2326 C SER A 649 0.320 21.200 13.686 1.00 43.10 C ATOM 2327 O SER A 649 0.879 22.263 14.000 1.00 63.04 O ATOM 2328 CB SER A 649 1.878 19.433 14.548 1.00 2.10 C ATOM 2329 OG SER A 649 2.870 18.494 14.121 1.00 30.44 O ATOM 0 H SER A 649 3.061 19.994 12.605 1.00 22.13 H new ATOM 0 HA SER A 649 0.415 19.210 12.991 1.00 5.15 H new ATOM 0 HB2 SER A 649 2.348 20.259 15.083 1.00 2.10 H new ATOM 0 HB3 SER A 649 1.184 18.957 15.242 1.00 2.10 H new ATOM 0 HG SER A 649 3.734 18.725 14.522 1.00 30.44 H new