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 Single : A 506 THR OG1 : rot -75:sc= 0.272 USER MOD Single : A 512 THR OG1 : rot 180:sc= 0 USER MOD Single : A 513 HIS : no HE2:sc= 1.15 K(o=1.2,f=-4.1!) USER MOD Single : A 515 SER OG : rot 180:sc= 0.093 USER MOD Single : A 517 SER OG : rot -42:sc= 0.0847 USER MOD Single : A 521 MET CE :methyl 137:sc= -4.55! (180deg=-6.82!) USER MOD Single : A 524 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 528 THR OG1 : rot -126:sc= 1.22 USER MOD Single : A 529 SER OG : rot 180:sc= 0 USER MOD Single : A 534 ASN : amide:sc= -4.85! K(o=-4.8!,f=-1.5) USER MOD Single : A 539 TYR OH : rot 180:sc= 0 USER MOD Single : A 540 LYS NZ :NH3+ -126:sc= 1.25 (180deg=-0.248) USER MOD Single : A 541 THR OG1 : rot 77:sc= 0.98 USER MOD Single : A 545 THR OG1 : rot -25:sc= 0.502 USER MOD Single : A 556 THR OG1 : rot 180:sc= 0 USER MOD Single : A 557 CYS SG : rot -99:sc= 0.809 USER MOD Single : A 563 GLN : amide:sc= -1.31! K(o=-1.3!,f=-0.047) USER MOD Single : A 564 ASN : amide:sc= 0.103 K(o=0.1,f=-6.5!) USER MOD Single : A 569 LYS NZ :NH3+ 164:sc= 1.23 (180deg=0.876) USER MOD Single : A 570 THR OG1 : rot 145:sc= 1.18 USER MOD Single : A 572 SER OG : rot -86:sc= 1.06 USER MOD Single : A 574 LYS NZ :NH3+ -168:sc= -0.0093 (180deg=-0.192) USER MOD Single : A 581 TYR OH : rot 180:sc= 0 USER MOD Single : A 583 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 584 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 585 LYS NZ :NH3+ 165:sc= 0.973 (180deg=0.614) USER MOD Single : A 586 THR OG1 : rot 36:sc= 1.14 USER MOD Single : A 639 HIS : no HD1:sc= -0.062 X(o=-0.062,f=-0.064) USER MOD Single : A 640 THR OG1 : rot -120:sc= -1.34! USER MOD Single : A 641 LYS NZ :NH3+ 164:sc= -0.0603 (180deg=-0.367) USER MOD Single : A 649 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 28 N GLY A 503 -6.182 -12.776 -4.269 1.00 61.50 N ATOM 29 CA GLY A 503 -6.441 -12.148 -3.021 1.00 42.44 C ATOM 30 C GLY A 503 -6.623 -10.680 -3.186 1.00 63.32 C ATOM 31 O GLY A 503 -6.550 -10.168 -4.299 1.00 72.24 O ATOM 0 HA2 GLY A 503 -7.335 -12.580 -2.572 1.00 42.44 H new ATOM 0 HA3 GLY A 503 -5.616 -12.340 -2.336 1.00 42.44 H new ATOM 35 N ILE A 504 -6.846 -10.008 -2.093 1.00 12.23 N ATOM 36 CA ILE A 504 -7.069 -8.583 -2.098 1.00 44.32 C ATOM 37 C ILE A 504 -6.040 -7.914 -1.214 1.00 74.03 C ATOM 38 O ILE A 504 -6.031 -8.111 -0.006 1.00 12.20 O ATOM 39 CB ILE A 504 -8.493 -8.152 -1.571 1.00 33.55 C ATOM 40 CG1 ILE A 504 -9.655 -8.809 -2.332 1.00 1.22 C ATOM 41 CG2 ILE A 504 -8.650 -6.638 -1.624 1.00 40.04 C ATOM 42 CD1 ILE A 504 -9.949 -10.242 -1.938 1.00 0.11 C ATOM 0 H ILE A 504 -6.879 -10.432 -1.166 1.00 12.23 H new ATOM 0 HA ILE A 504 -6.993 -8.275 -3.141 1.00 44.32 H new ATOM 0 HB ILE A 504 -8.544 -8.502 -0.540 1.00 33.55 H new ATOM 0 HG12 ILE A 504 -10.554 -8.213 -2.176 1.00 1.22 H new ATOM 0 HG13 ILE A 504 -9.434 -8.779 -3.399 1.00 1.22 H new ATOM 0 HG21 ILE A 504 -9.638 -6.362 -1.257 1.00 40.04 H new ATOM 0 HG22 ILE A 504 -7.887 -6.171 -1.001 1.00 40.04 H new ATOM 0 HG23 ILE A 504 -8.537 -6.296 -2.653 1.00 40.04 H new ATOM 0 HD11 ILE A 504 -10.784 -10.618 -2.529 1.00 0.11 H new ATOM 0 HD12 ILE A 504 -9.068 -10.858 -2.121 1.00 0.11 H new ATOM 0 HD13 ILE A 504 -10.207 -10.283 -0.880 1.00 0.11 H new ATOM 54 N PHE A 505 -5.160 -7.185 -1.809 1.00 44.30 N ATOM 55 CA PHE A 505 -4.215 -6.384 -1.078 1.00 52.51 C ATOM 56 C PHE A 505 -4.307 -4.991 -1.644 1.00 34.22 C ATOM 57 O PHE A 505 -3.874 -4.749 -2.764 1.00 33.34 O ATOM 58 CB PHE A 505 -2.783 -6.934 -1.212 1.00 61.04 C ATOM 59 CG PHE A 505 -2.597 -8.319 -0.644 1.00 45.15 C ATOM 60 CD1 PHE A 505 -2.352 -8.500 0.706 1.00 61.40 C ATOM 61 CD2 PHE A 505 -2.666 -9.434 -1.460 1.00 55.32 C ATOM 62 CE1 PHE A 505 -2.178 -9.766 1.228 1.00 12.30 C ATOM 63 CE2 PHE A 505 -2.493 -10.702 -0.946 1.00 75.23 C ATOM 64 CZ PHE A 505 -2.249 -10.868 0.401 1.00 14.33 C ATOM 0 H PHE A 505 -5.068 -7.121 -2.823 1.00 44.30 H new ATOM 0 HA PHE A 505 -4.447 -6.396 -0.013 1.00 52.51 H new ATOM 0 HB2 PHE A 505 -2.508 -6.946 -2.267 1.00 61.04 H new ATOM 0 HB3 PHE A 505 -2.096 -6.253 -0.711 1.00 61.04 H new ATOM 0 HD1 PHE A 505 -2.296 -7.641 1.358 1.00 61.40 H new ATOM 0 HD2 PHE A 505 -2.858 -9.310 -2.515 1.00 55.32 H new ATOM 0 HE1 PHE A 505 -1.986 -9.894 2.283 1.00 12.30 H new ATOM 0 HE2 PHE A 505 -2.548 -11.562 -1.596 1.00 75.23 H new ATOM 0 HZ PHE A 505 -2.114 -11.859 0.808 1.00 14.33 H new ATOM 74 N THR A 506 -4.935 -4.107 -0.934 1.00 63.31 N ATOM 75 CA THR A 506 -5.161 -2.782 -1.428 1.00 75.35 C ATOM 76 C THR A 506 -5.250 -1.832 -0.246 1.00 41.05 C ATOM 77 O THR A 506 -5.419 -2.280 0.904 1.00 2.21 O ATOM 78 CB THR A 506 -6.507 -2.732 -2.256 1.00 35.41 C ATOM 79 OG1 THR A 506 -6.669 -1.470 -2.931 1.00 42.05 O ATOM 80 CG2 THR A 506 -7.731 -2.986 -1.374 1.00 32.41 C ATOM 0 H THR A 506 -5.305 -4.281 0.001 1.00 63.31 H new ATOM 0 HA THR A 506 -4.340 -2.489 -2.082 1.00 75.35 H new ATOM 0 HB THR A 506 -6.435 -3.528 -2.997 1.00 35.41 H new ATOM 0 HG1 THR A 506 -6.925 -0.782 -2.282 1.00 42.05 H new ATOM 0 HG21 THR A 506 -8.634 -2.943 -1.983 1.00 32.41 H new ATOM 0 HG22 THR A 506 -7.650 -3.971 -0.915 1.00 32.41 H new ATOM 0 HG23 THR A 506 -7.782 -2.225 -0.595 1.00 32.41 H new ATOM 88 N PHE A 507 -5.110 -0.561 -0.508 1.00 15.44 N ATOM 89 CA PHE A 507 -5.333 0.437 0.503 1.00 40.14 C ATOM 90 C PHE A 507 -6.770 0.860 0.419 1.00 33.53 C ATOM 91 O PHE A 507 -7.480 0.470 -0.524 1.00 43.31 O ATOM 92 CB PHE A 507 -4.411 1.645 0.323 1.00 11.35 C ATOM 93 CG PHE A 507 -2.959 1.330 0.489 1.00 0.13 C ATOM 94 CD1 PHE A 507 -2.407 1.216 1.752 1.00 45.43 C ATOM 95 CD2 PHE A 507 -2.143 1.157 -0.613 1.00 62.42 C ATOM 96 CE1 PHE A 507 -1.072 0.932 1.913 1.00 53.11 C ATOM 97 CE2 PHE A 507 -0.803 0.869 -0.461 1.00 73.34 C ATOM 98 CZ PHE A 507 -0.268 0.757 0.806 1.00 31.24 C ATOM 0 H PHE A 507 -4.841 -0.190 -1.419 1.00 15.44 H new ATOM 0 HA PHE A 507 -5.109 0.015 1.483 1.00 40.14 H new ATOM 0 HB2 PHE A 507 -4.570 2.066 -0.670 1.00 11.35 H new ATOM 0 HB3 PHE A 507 -4.691 2.413 1.044 1.00 11.35 H new ATOM 0 HD1 PHE A 507 -3.032 1.352 2.622 1.00 45.43 H new ATOM 0 HD2 PHE A 507 -2.560 1.248 -1.605 1.00 62.42 H new ATOM 0 HE1 PHE A 507 -0.653 0.846 2.905 1.00 53.11 H new ATOM 0 HE2 PHE A 507 -0.175 0.732 -1.329 1.00 73.34 H new ATOM 0 HZ PHE A 507 0.781 0.532 0.931 1.00 31.24 H new ATOM 108 N GLU A 508 -7.218 1.587 1.392 1.00 63.11 N ATOM 109 CA GLU A 508 -8.568 2.062 1.411 1.00 30.51 C ATOM 110 C GLU A 508 -8.563 3.501 0.939 1.00 15.53 C ATOM 111 O GLU A 508 -9.480 3.973 0.273 1.00 2.40 O ATOM 112 CB GLU A 508 -9.083 2.022 2.830 1.00 64.42 C ATOM 113 CG GLU A 508 -10.565 2.137 2.952 1.00 73.42 C ATOM 114 CD GLU A 508 -10.968 2.413 4.359 1.00 4.24 C ATOM 115 OE1 GLU A 508 -10.963 3.596 4.762 1.00 4.33 O ATOM 116 OE2 GLU A 508 -11.276 1.474 5.105 1.00 72.22 O ATOM 0 H GLU A 508 -6.659 1.869 2.197 1.00 63.11 H new ATOM 0 HA GLU A 508 -9.199 1.445 0.771 1.00 30.51 H new ATOM 0 HB2 GLU A 508 -8.764 1.088 3.293 1.00 64.42 H new ATOM 0 HB3 GLU A 508 -8.620 2.832 3.394 1.00 64.42 H new ATOM 0 HG2 GLU A 508 -10.925 2.936 2.304 1.00 73.42 H new ATOM 0 HG3 GLU A 508 -11.034 1.214 2.611 1.00 73.42 H new ATOM 123 N GLU A 509 -7.530 4.182 1.314 1.00 64.12 N ATOM 124 CA GLU A 509 -7.327 5.552 1.007 1.00 23.24 C ATOM 125 C GLU A 509 -6.169 5.707 0.033 1.00 23.44 C ATOM 126 O GLU A 509 -5.151 5.038 0.168 1.00 30.31 O ATOM 127 CB GLU A 509 -7.041 6.367 2.295 1.00 43.51 C ATOM 128 CG GLU A 509 -5.861 5.865 3.158 1.00 4.20 C ATOM 129 CD GLU A 509 -6.173 4.615 3.967 1.00 51.14 C ATOM 130 OE1 GLU A 509 -6.060 3.485 3.435 1.00 54.53 O ATOM 131 OE2 GLU A 509 -6.558 4.748 5.148 1.00 42.12 O ATOM 0 H GLU A 509 -6.774 3.777 1.866 1.00 64.12 H new ATOM 0 HA GLU A 509 -8.237 5.936 0.546 1.00 23.24 H new ATOM 0 HB2 GLU A 509 -6.846 7.402 2.012 1.00 43.51 H new ATOM 0 HB3 GLU A 509 -7.941 6.369 2.909 1.00 43.51 H new ATOM 0 HG2 GLU A 509 -5.010 5.662 2.508 1.00 4.20 H new ATOM 0 HG3 GLU A 509 -5.559 6.660 3.839 1.00 4.20 H new ATOM 138 N PRO A 510 -6.328 6.529 -1.000 1.00 43.33 N ATOM 139 CA PRO A 510 -5.226 6.844 -1.901 1.00 13.34 C ATOM 140 C PRO A 510 -4.322 7.929 -1.308 1.00 21.04 C ATOM 141 O PRO A 510 -3.181 8.094 -1.714 1.00 62.11 O ATOM 142 CB PRO A 510 -5.934 7.366 -3.149 1.00 73.14 C ATOM 143 CG PRO A 510 -7.211 7.963 -2.643 1.00 13.12 C ATOM 144 CD PRO A 510 -7.601 7.160 -1.429 1.00 75.21 C ATOM 0 HA PRO A 510 -4.580 5.988 -2.094 1.00 13.34 H new ATOM 0 HB2 PRO A 510 -5.327 8.109 -3.666 1.00 73.14 H new ATOM 0 HB3 PRO A 510 -6.127 6.562 -3.859 1.00 73.14 H new ATOM 0 HG2 PRO A 510 -7.074 9.014 -2.387 1.00 13.12 H new ATOM 0 HG3 PRO A 510 -7.989 7.919 -3.405 1.00 13.12 H new ATOM 0 HD2 PRO A 510 -8.017 7.794 -0.646 1.00 75.21 H new ATOM 0 HD3 PRO A 510 -8.357 6.413 -1.669 1.00 75.21 H new ATOM 152 N VAL A 511 -4.853 8.655 -0.334 1.00 40.25 N ATOM 153 CA VAL A 511 -4.169 9.759 0.316 1.00 61.02 C ATOM 154 C VAL A 511 -4.427 9.685 1.807 1.00 32.03 C ATOM 155 O VAL A 511 -5.525 9.322 2.237 1.00 44.24 O ATOM 156 CB VAL A 511 -4.694 11.147 -0.215 1.00 73.23 C ATOM 157 CG1 VAL A 511 -4.069 12.310 0.526 1.00 73.41 C ATOM 158 CG2 VAL A 511 -4.460 11.308 -1.704 1.00 65.41 C ATOM 0 H VAL A 511 -5.790 8.488 0.032 1.00 40.25 H new ATOM 0 HA VAL A 511 -3.104 9.681 0.098 1.00 61.02 H new ATOM 0 HB VAL A 511 -5.768 11.154 -0.029 1.00 73.23 H new ATOM 0 HG11 VAL A 511 -4.459 13.247 0.128 1.00 73.41 H new ATOM 0 HG12 VAL A 511 -4.311 12.238 1.586 1.00 73.41 H new ATOM 0 HG13 VAL A 511 -2.987 12.284 0.398 1.00 73.41 H new ATOM 0 HG21 VAL A 511 -4.837 12.278 -2.029 1.00 65.41 H new ATOM 0 HG22 VAL A 511 -3.392 11.245 -1.913 1.00 65.41 H new ATOM 0 HG23 VAL A 511 -4.983 10.517 -2.242 1.00 65.41 H new ATOM 168 N THR A 512 -3.434 9.989 2.580 1.00 14.32 N ATOM 169 CA THR A 512 -3.595 10.072 3.984 1.00 31.43 C ATOM 170 C THR A 512 -2.843 11.310 4.460 1.00 42.32 C ATOM 171 O THR A 512 -1.788 11.663 3.903 1.00 5.23 O ATOM 172 CB THR A 512 -3.129 8.763 4.725 1.00 75.23 C ATOM 173 OG1 THR A 512 -3.589 8.766 6.081 1.00 15.14 O ATOM 174 CG2 THR A 512 -1.614 8.610 4.717 1.00 62.23 C ATOM 0 H THR A 512 -2.490 10.186 2.249 1.00 14.32 H new ATOM 0 HA THR A 512 -4.653 10.163 4.229 1.00 31.43 H new ATOM 0 HB THR A 512 -3.563 7.922 4.184 1.00 75.23 H new ATOM 0 HG1 THR A 512 -3.293 7.946 6.529 1.00 15.14 H new ATOM 0 HG21 THR A 512 -1.338 7.694 5.239 1.00 62.23 H new ATOM 0 HG22 THR A 512 -1.259 8.562 3.688 1.00 62.23 H new ATOM 0 HG23 THR A 512 -1.159 9.464 5.219 1.00 62.23 H new ATOM 182 N HIS A 513 -3.412 12.006 5.394 1.00 53.45 N ATOM 183 CA HIS A 513 -2.803 13.183 5.940 1.00 34.52 C ATOM 184 C HIS A 513 -2.284 12.863 7.291 1.00 61.01 C ATOM 185 O HIS A 513 -2.993 12.264 8.110 1.00 31.42 O ATOM 186 CB HIS A 513 -3.786 14.358 6.005 1.00 53.32 C ATOM 187 CG HIS A 513 -4.124 14.942 4.671 1.00 55.54 C ATOM 188 ND1 HIS A 513 -3.608 16.124 4.213 1.00 5.14 N ATOM 189 CD2 HIS A 513 -4.935 14.482 3.689 1.00 64.10 C ATOM 190 CE1 HIS A 513 -4.091 16.348 2.998 1.00 11.51 C ATOM 191 NE2 HIS A 513 -4.915 15.379 2.623 1.00 13.41 N ATOM 0 H HIS A 513 -4.317 11.774 5.803 1.00 53.45 H new ATOM 0 HA HIS A 513 -1.987 13.492 5.287 1.00 34.52 H new ATOM 0 HB2 HIS A 513 -4.705 14.024 6.487 1.00 53.32 H new ATOM 0 HB3 HIS A 513 -3.361 15.139 6.635 1.00 53.32 H new ATOM 0 HD1 HIS A 513 -2.962 16.729 4.720 1.00 5.14 H new ATOM 0 HD2 HIS A 513 -5.506 13.566 3.726 1.00 64.10 H new ATOM 0 HE1 HIS A 513 -3.845 17.208 2.393 1.00 11.51 H new ATOM 199 N VAL A 514 -1.059 13.202 7.529 1.00 52.04 N ATOM 200 CA VAL A 514 -0.446 12.926 8.788 1.00 52.15 C ATOM 201 C VAL A 514 0.246 14.168 9.274 1.00 22.55 C ATOM 202 O VAL A 514 0.588 15.053 8.476 1.00 14.43 O ATOM 203 CB VAL A 514 0.575 11.736 8.717 1.00 31.41 C ATOM 204 CG1 VAL A 514 -0.090 10.461 8.212 1.00 73.22 C ATOM 205 CG2 VAL A 514 1.780 12.081 7.859 1.00 61.21 C ATOM 0 H VAL A 514 -0.456 13.677 6.858 1.00 52.04 H new ATOM 0 HA VAL A 514 -1.230 12.625 9.483 1.00 52.15 H new ATOM 0 HB VAL A 514 0.926 11.558 9.734 1.00 31.41 H new ATOM 0 HG11 VAL A 514 0.645 9.657 8.175 1.00 73.22 H new ATOM 0 HG12 VAL A 514 -0.900 10.181 8.886 1.00 73.22 H new ATOM 0 HG13 VAL A 514 -0.492 10.631 7.213 1.00 73.22 H new ATOM 0 HG21 VAL A 514 2.464 11.233 7.834 1.00 61.21 H new ATOM 0 HG22 VAL A 514 1.451 12.312 6.846 1.00 61.21 H new ATOM 0 HG23 VAL A 514 2.291 12.947 8.281 1.00 61.21 H new ATOM 215 N SER A 515 0.434 14.249 10.548 1.00 2.31 N ATOM 216 CA SER A 515 1.106 15.363 11.122 1.00 63.01 C ATOM 217 C SER A 515 2.590 15.125 10.997 1.00 62.12 C ATOM 218 O SER A 515 3.030 13.992 10.998 1.00 21.13 O ATOM 219 CB SER A 515 0.717 15.494 12.595 1.00 15.43 C ATOM 220 OG SER A 515 1.339 16.616 13.208 1.00 15.21 O ATOM 0 H SER A 515 0.126 13.545 11.219 1.00 2.31 H new ATOM 0 HA SER A 515 0.829 16.284 10.609 1.00 63.01 H new ATOM 0 HB2 SER A 515 -0.366 15.588 12.678 1.00 15.43 H new ATOM 0 HB3 SER A 515 0.999 14.586 13.128 1.00 15.43 H new ATOM 0 HG SER A 515 1.066 16.669 14.148 1.00 15.21 H new ATOM 226 N GLU A 516 3.352 16.166 10.869 1.00 30.44 N ATOM 227 CA GLU A 516 4.787 16.028 10.824 1.00 34.05 C ATOM 228 C GLU A 516 5.325 15.921 12.256 1.00 54.11 C ATOM 229 O GLU A 516 6.489 15.622 12.488 1.00 51.01 O ATOM 230 CB GLU A 516 5.399 17.219 10.104 1.00 61.22 C ATOM 231 CG GLU A 516 6.860 17.046 9.768 1.00 75.42 C ATOM 232 CD GLU A 516 7.420 18.241 9.102 1.00 41.43 C ATOM 233 OE1 GLU A 516 7.543 19.282 9.691 1.00 41.54 O ATOM 234 OE2 GLU A 516 7.797 18.220 7.945 1.00 44.41 O ATOM 0 H GLU A 516 3.011 17.124 10.793 1.00 30.44 H new ATOM 0 HA GLU A 516 5.056 15.125 10.276 1.00 34.05 H new ATOM 0 HB2 GLU A 516 4.844 17.399 9.184 1.00 61.22 H new ATOM 0 HB3 GLU A 516 5.282 18.106 10.726 1.00 61.22 H new ATOM 0 HG2 GLU A 516 7.420 16.844 10.681 1.00 75.42 H new ATOM 0 HG3 GLU A 516 6.983 16.179 9.120 1.00 75.42 H new ATOM 241 N SER A 517 4.444 16.126 13.209 1.00 12.20 N ATOM 242 CA SER A 517 4.798 16.100 14.607 1.00 71.22 C ATOM 243 C SER A 517 4.500 14.702 15.170 1.00 63.53 C ATOM 244 O SER A 517 4.563 14.469 16.381 1.00 33.12 O ATOM 245 CB SER A 517 3.975 17.176 15.336 1.00 73.35 C ATOM 246 OG SER A 517 4.440 17.439 16.651 1.00 23.22 O ATOM 0 H SER A 517 3.457 16.316 13.033 1.00 12.20 H new ATOM 0 HA SER A 517 5.858 16.310 14.747 1.00 71.22 H new ATOM 0 HB2 SER A 517 4.001 18.099 14.757 1.00 73.35 H new ATOM 0 HB3 SER A 517 2.933 16.858 15.382 1.00 73.35 H new ATOM 0 HG SER A 517 4.665 16.594 17.094 1.00 23.22 H new ATOM 252 N ILE A 518 4.200 13.782 14.282 1.00 20.24 N ATOM 253 CA ILE A 518 3.853 12.448 14.663 1.00 33.33 C ATOM 254 C ILE A 518 5.126 11.596 14.679 1.00 3.44 C ATOM 255 O ILE A 518 6.124 11.945 14.017 1.00 74.42 O ATOM 256 CB ILE A 518 2.805 11.864 13.668 1.00 63.25 C ATOM 257 CG1 ILE A 518 2.035 10.721 14.300 1.00 75.51 C ATOM 258 CG2 ILE A 518 3.462 11.390 12.371 1.00 14.12 C ATOM 259 CD1 ILE A 518 0.888 10.266 13.452 1.00 72.31 C ATOM 0 H ILE A 518 4.192 13.946 13.275 1.00 20.24 H new ATOM 0 HA ILE A 518 3.407 12.446 15.657 1.00 33.33 H new ATOM 0 HB ILE A 518 2.111 12.669 13.426 1.00 63.25 H new ATOM 0 HG12 ILE A 518 2.711 9.883 14.472 1.00 75.51 H new ATOM 0 HG13 ILE A 518 1.661 11.034 15.275 1.00 75.51 H new ATOM 0 HG21 ILE A 518 2.700 10.989 11.702 1.00 14.12 H new ATOM 0 HG22 ILE A 518 3.963 12.230 11.889 1.00 14.12 H new ATOM 0 HG23 ILE A 518 4.192 10.613 12.596 1.00 14.12 H new ATOM 0 HD11 ILE A 518 0.370 9.446 13.950 1.00 72.31 H new ATOM 0 HD12 ILE A 518 0.196 11.094 13.301 1.00 72.31 H new ATOM 0 HD13 ILE A 518 1.262 9.926 12.486 1.00 72.31 H new ATOM 271 N GLY A 519 5.115 10.542 15.446 1.00 61.35 N ATOM 272 CA GLY A 519 6.236 9.655 15.470 1.00 43.54 C ATOM 273 C GLY A 519 6.059 8.560 14.464 1.00 74.14 C ATOM 274 O GLY A 519 6.812 8.456 13.498 1.00 33.32 O ATOM 0 H GLY A 519 4.344 10.280 16.060 1.00 61.35 H new ATOM 0 HA2 GLY A 519 7.150 10.209 15.257 1.00 43.54 H new ATOM 0 HA3 GLY A 519 6.348 9.227 16.466 1.00 43.54 H new ATOM 278 N ILE A 520 5.049 7.763 14.668 1.00 73.44 N ATOM 279 CA ILE A 520 4.737 6.677 13.777 1.00 3.20 C ATOM 280 C ILE A 520 3.382 6.904 13.142 1.00 3.24 C ATOM 281 O ILE A 520 2.362 6.988 13.847 1.00 41.41 O ATOM 282 CB ILE A 520 4.730 5.294 14.517 1.00 24.12 C ATOM 283 CG1 ILE A 520 6.129 4.909 15.009 1.00 60.14 C ATOM 284 CG2 ILE A 520 4.168 4.184 13.626 1.00 5.22 C ATOM 285 CD1 ILE A 520 7.128 4.710 13.890 1.00 34.21 C ATOM 0 H ILE A 520 4.414 7.847 15.462 1.00 73.44 H new ATOM 0 HA ILE A 520 5.514 6.651 13.013 1.00 3.20 H new ATOM 0 HB ILE A 520 4.079 5.406 15.384 1.00 24.12 H new ATOM 0 HG12 ILE A 520 6.496 5.686 15.680 1.00 60.14 H new ATOM 0 HG13 ILE A 520 6.061 3.991 15.592 1.00 60.14 H new ATOM 0 HG21 ILE A 520 4.178 3.240 14.171 1.00 5.22 H new ATOM 0 HG22 ILE A 520 3.144 4.428 13.342 1.00 5.22 H new ATOM 0 HG23 ILE A 520 4.781 4.092 12.729 1.00 5.22 H new ATOM 0 HD11 ILE A 520 8.096 4.439 14.311 1.00 34.21 H new ATOM 0 HD12 ILE A 520 6.783 3.913 13.232 1.00 34.21 H new ATOM 0 HD13 ILE A 520 7.225 5.634 13.321 1.00 34.21 H new ATOM 297 N MET A 521 3.359 7.050 11.844 1.00 20.42 N ATOM 298 CA MET A 521 2.096 7.101 11.157 1.00 54.21 C ATOM 299 C MET A 521 1.827 5.719 10.654 1.00 23.21 C ATOM 300 O MET A 521 2.732 5.063 10.113 1.00 51.35 O ATOM 301 CB MET A 521 2.029 8.193 10.026 1.00 1.13 C ATOM 302 CG MET A 521 2.778 7.930 8.712 1.00 72.42 C ATOM 303 SD MET A 521 1.860 6.836 7.589 1.00 42.42 S ATOM 304 CE MET A 521 2.861 6.896 6.108 1.00 73.24 C ATOM 0 H MET A 521 4.184 7.134 11.250 1.00 20.42 H new ATOM 0 HA MET A 521 1.314 7.418 11.847 1.00 54.21 H new ATOM 0 HB2 MET A 521 0.979 8.355 9.783 1.00 1.13 H new ATOM 0 HB3 MET A 521 2.407 9.126 10.443 1.00 1.13 H new ATOM 0 HG2 MET A 521 2.970 8.879 8.212 1.00 72.42 H new ATOM 0 HG3 MET A 521 3.748 7.485 8.934 1.00 72.42 H new ATOM 0 HE1 MET A 521 2.959 5.892 5.694 1.00 73.24 H new ATOM 0 HE2 MET A 521 2.386 7.547 5.374 1.00 73.24 H new ATOM 0 HE3 MET A 521 3.849 7.285 6.352 1.00 73.24 H new ATOM 314 N GLU A 522 0.664 5.225 10.952 1.00 70.31 N ATOM 315 CA GLU A 522 0.267 3.934 10.501 1.00 3.32 C ATOM 316 C GLU A 522 -0.918 4.016 9.606 1.00 72.41 C ATOM 317 O GLU A 522 -1.859 4.796 9.845 1.00 50.13 O ATOM 318 CB GLU A 522 -0.038 2.972 11.633 1.00 33.44 C ATOM 319 CG GLU A 522 1.149 2.587 12.459 1.00 23.42 C ATOM 320 CD GLU A 522 0.884 1.407 13.327 1.00 2.13 C ATOM 321 OE1 GLU A 522 0.005 1.472 14.208 1.00 4.31 O ATOM 322 OE2 GLU A 522 1.534 0.368 13.116 1.00 30.54 O ATOM 0 H GLU A 522 -0.035 5.709 11.516 1.00 70.31 H new ATOM 0 HA GLU A 522 1.124 3.544 9.951 1.00 3.32 H new ATOM 0 HB2 GLU A 522 -0.787 3.423 12.284 1.00 33.44 H new ATOM 0 HB3 GLU A 522 -0.482 2.069 11.215 1.00 33.44 H new ATOM 0 HG2 GLU A 522 1.989 2.368 11.801 1.00 23.42 H new ATOM 0 HG3 GLU A 522 1.444 3.432 13.081 1.00 23.42 H new ATOM 329 N VAL A 523 -0.863 3.238 8.581 1.00 14.32 N ATOM 330 CA VAL A 523 -1.932 3.097 7.644 1.00 41.22 C ATOM 331 C VAL A 523 -2.306 1.659 7.656 1.00 64.30 C ATOM 332 O VAL A 523 -1.420 0.795 7.649 1.00 1.23 O ATOM 333 CB VAL A 523 -1.487 3.483 6.225 1.00 63.54 C ATOM 334 CG1 VAL A 523 -2.665 3.512 5.254 1.00 15.34 C ATOM 335 CG2 VAL A 523 -0.762 4.799 6.242 1.00 70.23 C ATOM 0 H VAL A 523 -0.049 2.663 8.362 1.00 14.32 H new ATOM 0 HA VAL A 523 -2.762 3.749 7.918 1.00 41.22 H new ATOM 0 HB VAL A 523 -0.798 2.717 5.869 1.00 63.54 H new ATOM 0 HG11 VAL A 523 -2.311 3.789 4.261 1.00 15.34 H new ATOM 0 HG12 VAL A 523 -3.127 2.526 5.213 1.00 15.34 H new ATOM 0 HG13 VAL A 523 -3.399 4.242 5.594 1.00 15.34 H new ATOM 0 HG21 VAL A 523 -0.454 5.058 5.229 1.00 70.23 H new ATOM 0 HG22 VAL A 523 -1.424 5.574 6.629 1.00 70.23 H new ATOM 0 HG23 VAL A 523 0.118 4.721 6.880 1.00 70.23 H new ATOM 345 N LYS A 524 -3.568 1.386 7.709 1.00 74.31 N ATOM 346 CA LYS A 524 -4.007 0.041 7.755 1.00 53.23 C ATOM 347 C LYS A 524 -4.276 -0.506 6.387 1.00 3.13 C ATOM 348 O LYS A 524 -4.412 0.241 5.421 1.00 65.54 O ATOM 349 CB LYS A 524 -5.178 -0.150 8.692 1.00 63.51 C ATOM 350 CG LYS A 524 -4.794 0.046 10.141 1.00 20.22 C ATOM 351 CD LYS A 524 -5.869 -0.466 11.053 1.00 21.34 C ATOM 352 CE LYS A 524 -5.415 -0.521 12.510 1.00 21.44 C ATOM 353 NZ LYS A 524 -5.041 0.801 13.058 1.00 51.42 N ATOM 0 H LYS A 524 -4.312 2.084 7.721 1.00 74.31 H new ATOM 0 HA LYS A 524 -3.186 -0.543 8.171 1.00 53.23 H new ATOM 0 HB2 LYS A 524 -5.968 0.554 8.430 1.00 63.51 H new ATOM 0 HB3 LYS A 524 -5.586 -1.152 8.559 1.00 63.51 H new ATOM 0 HG2 LYS A 524 -3.858 -0.474 10.347 1.00 20.22 H new ATOM 0 HG3 LYS A 524 -4.620 1.104 10.335 1.00 20.22 H new ATOM 0 HD2 LYS A 524 -6.747 0.175 10.972 1.00 21.34 H new ATOM 0 HD3 LYS A 524 -6.171 -1.463 10.731 1.00 21.34 H new ATOM 0 HE2 LYS A 524 -6.215 -0.945 13.117 1.00 21.44 H new ATOM 0 HE3 LYS A 524 -4.562 -1.195 12.592 1.00 21.44 H new ATOM 0 HZ1 LYS A 524 -4.743 0.694 14.049 1.00 51.42 H new ATOM 0 HZ2 LYS A 524 -4.258 1.198 12.501 1.00 51.42 H new ATOM 0 HZ3 LYS A 524 -5.859 1.441 13.010 1.00 51.42 H new ATOM 367 N VAL A 525 -4.346 -1.799 6.306 1.00 13.31 N ATOM 368 CA VAL A 525 -4.500 -2.472 5.027 1.00 62.01 C ATOM 369 C VAL A 525 -5.663 -3.435 5.111 1.00 11.42 C ATOM 370 O VAL A 525 -5.871 -4.077 6.156 1.00 44.44 O ATOM 371 CB VAL A 525 -3.214 -3.278 4.629 1.00 45.34 C ATOM 372 CG1 VAL A 525 -3.288 -3.770 3.188 1.00 12.31 C ATOM 373 CG2 VAL A 525 -1.956 -2.462 4.837 1.00 40.02 C ATOM 0 H VAL A 525 -4.300 -2.425 7.110 1.00 13.31 H new ATOM 0 HA VAL A 525 -4.674 -1.708 4.269 1.00 62.01 H new ATOM 0 HB VAL A 525 -3.170 -4.145 5.288 1.00 45.34 H new ATOM 0 HG11 VAL A 525 -2.381 -4.324 2.946 1.00 12.31 H new ATOM 0 HG12 VAL A 525 -4.154 -4.421 3.070 1.00 12.31 H new ATOM 0 HG13 VAL A 525 -3.382 -2.917 2.517 1.00 12.31 H new ATOM 0 HG21 VAL A 525 -1.087 -3.054 4.550 1.00 40.02 H new ATOM 0 HG22 VAL A 525 -2.000 -1.562 4.224 1.00 40.02 H new ATOM 0 HG23 VAL A 525 -1.874 -2.182 5.887 1.00 40.02 H new ATOM 383 N LEU A 526 -6.414 -3.530 4.042 1.00 63.42 N ATOM 384 CA LEU A 526 -7.538 -4.438 3.966 1.00 12.43 C ATOM 385 C LEU A 526 -6.988 -5.825 3.709 1.00 64.43 C ATOM 386 O LEU A 526 -6.040 -5.983 2.926 1.00 24.10 O ATOM 387 CB LEU A 526 -8.520 -4.054 2.833 1.00 74.35 C ATOM 388 CG LEU A 526 -9.176 -2.645 2.858 1.00 61.44 C ATOM 389 CD1 LEU A 526 -9.875 -2.354 4.173 1.00 61.20 C ATOM 390 CD2 LEU A 526 -8.182 -1.556 2.528 1.00 10.44 C ATOM 0 H LEU A 526 -6.265 -2.980 3.196 1.00 63.42 H new ATOM 0 HA LEU A 526 -8.095 -4.393 4.902 1.00 12.43 H new ATOM 0 HB2 LEU A 526 -7.988 -4.154 1.887 1.00 74.35 H new ATOM 0 HB3 LEU A 526 -9.322 -4.792 2.827 1.00 74.35 H new ATOM 0 HG LEU A 526 -9.939 -2.652 2.079 1.00 61.44 H new ATOM 0 HD11 LEU A 526 -10.316 -1.358 4.138 1.00 61.20 H new ATOM 0 HD12 LEU A 526 -10.659 -3.092 4.339 1.00 61.20 H new ATOM 0 HD13 LEU A 526 -9.152 -2.402 4.988 1.00 61.20 H new ATOM 0 HD21 LEU A 526 -8.681 -0.587 2.556 1.00 10.44 H new ATOM 0 HD22 LEU A 526 -7.373 -1.569 3.258 1.00 10.44 H new ATOM 0 HD23 LEU A 526 -7.774 -1.725 1.531 1.00 10.44 H new ATOM 402 N ARG A 527 -7.537 -6.814 4.353 1.00 12.44 N ATOM 403 CA ARG A 527 -7.000 -8.140 4.215 1.00 24.03 C ATOM 404 C ARG A 527 -7.699 -8.899 3.119 1.00 2.04 C ATOM 405 O ARG A 527 -8.916 -8.777 2.921 1.00 22.41 O ATOM 406 CB ARG A 527 -7.038 -8.949 5.537 1.00 52.01 C ATOM 407 CG ARG A 527 -6.276 -10.280 5.448 1.00 40.14 C ATOM 408 CD ARG A 527 -6.282 -11.073 6.749 1.00 72.53 C ATOM 409 NE ARG A 527 -7.568 -11.698 7.050 1.00 43.14 N ATOM 410 CZ ARG A 527 -7.771 -12.573 8.057 1.00 73.42 C ATOM 411 NH1 ARG A 527 -6.776 -12.884 8.897 1.00 1.03 N ATOM 412 NH2 ARG A 527 -8.961 -13.130 8.222 1.00 3.52 N ATOM 0 H ARG A 527 -8.345 -6.732 4.971 1.00 12.44 H new ATOM 0 HA ARG A 527 -5.951 -8.014 3.947 1.00 24.03 H new ATOM 0 HB2 ARG A 527 -6.612 -8.345 6.338 1.00 52.01 H new ATOM 0 HB3 ARG A 527 -8.076 -9.148 5.805 1.00 52.01 H new ATOM 0 HG2 ARG A 527 -6.716 -10.889 4.659 1.00 40.14 H new ATOM 0 HG3 ARG A 527 -5.244 -10.080 5.159 1.00 40.14 H new ATOM 0 HD2 ARG A 527 -5.516 -11.846 6.696 1.00 72.53 H new ATOM 0 HD3 ARG A 527 -6.009 -10.410 7.570 1.00 72.53 H new ATOM 0 HE ARG A 527 -8.365 -11.457 6.460 1.00 43.14 H new ATOM 0 HH11 ARG A 527 -5.857 -12.459 8.778 1.00 1.03 H new ATOM 0 HH12 ARG A 527 -6.937 -13.546 9.656 1.00 1.03 H new ATOM 0 HH21 ARG A 527 -9.725 -12.898 7.588 1.00 3.52 H new ATOM 0 HH22 ARG A 527 -9.113 -13.791 8.983 1.00 3.52 H new ATOM 426 N THR A 528 -6.909 -9.636 2.399 1.00 22.32 N ATOM 427 CA THR A 528 -7.334 -10.531 1.391 1.00 32.32 C ATOM 428 C THR A 528 -8.359 -11.549 1.920 1.00 51.41 C ATOM 429 O THR A 528 -8.337 -11.934 3.095 1.00 42.43 O ATOM 430 CB THR A 528 -6.093 -11.267 0.827 1.00 73.41 C ATOM 431 OG1 THR A 528 -6.482 -12.267 -0.099 1.00 20.54 O ATOM 432 CG2 THR A 528 -5.260 -11.884 1.937 1.00 13.31 C ATOM 0 H THR A 528 -5.896 -9.621 2.513 1.00 22.32 H new ATOM 0 HA THR A 528 -7.828 -9.960 0.605 1.00 32.32 H new ATOM 0 HB THR A 528 -5.480 -10.526 0.313 1.00 73.41 H new ATOM 0 HG1 THR A 528 -6.088 -13.125 0.162 1.00 20.54 H new ATOM 0 HG21 THR A 528 -4.398 -12.392 1.505 1.00 13.31 H new ATOM 0 HG22 THR A 528 -4.918 -11.101 2.614 1.00 13.31 H new ATOM 0 HG23 THR A 528 -5.865 -12.603 2.490 1.00 13.31 H new ATOM 440 N SER A 529 -9.239 -11.961 1.049 1.00 60.13 N ATOM 441 CA SER A 529 -10.235 -12.945 1.366 1.00 22.44 C ATOM 442 C SER A 529 -9.601 -14.346 1.284 1.00 43.22 C ATOM 443 O SER A 529 -10.130 -15.320 1.816 1.00 22.13 O ATOM 444 CB SER A 529 -11.407 -12.802 0.380 1.00 2.54 C ATOM 445 OG SER A 529 -12.487 -13.648 0.703 1.00 43.21 O ATOM 0 H SER A 529 -9.284 -11.619 0.089 1.00 60.13 H new ATOM 0 HA SER A 529 -10.615 -12.800 2.377 1.00 22.44 H new ATOM 0 HB2 SER A 529 -11.749 -11.767 0.374 1.00 2.54 H new ATOM 0 HB3 SER A 529 -11.060 -13.029 -0.628 1.00 2.54 H new ATOM 0 HG SER A 529 -13.208 -13.522 0.051 1.00 43.21 H new ATOM 451 N GLY A 530 -8.442 -14.415 0.649 1.00 21.15 N ATOM 452 CA GLY A 530 -7.750 -15.660 0.490 1.00 44.51 C ATOM 453 C GLY A 530 -6.327 -15.555 0.966 1.00 20.11 C ATOM 454 O GLY A 530 -5.528 -14.813 0.369 1.00 62.00 O ATOM 0 H GLY A 530 -7.968 -13.612 0.237 1.00 21.15 H new ATOM 0 HA2 GLY A 530 -8.267 -16.440 1.049 1.00 44.51 H new ATOM 0 HA3 GLY A 530 -7.765 -15.956 -0.559 1.00 44.51 H new ATOM 458 N ALA A 531 -6.030 -16.225 2.062 1.00 75.45 N ATOM 459 CA ALA A 531 -4.693 -16.280 2.626 1.00 24.45 C ATOM 460 C ALA A 531 -4.601 -17.396 3.641 1.00 31.55 C ATOM 461 O ALA A 531 -4.663 -17.164 4.850 1.00 24.04 O ATOM 462 CB ALA A 531 -4.272 -14.960 3.271 1.00 2.52 C ATOM 0 H ALA A 531 -6.720 -16.755 2.595 1.00 75.45 H new ATOM 0 HA ALA A 531 -4.008 -16.471 1.800 1.00 24.45 H new ATOM 0 HB1 ALA A 531 -3.265 -15.058 3.676 1.00 2.52 H new ATOM 0 HB2 ALA A 531 -4.286 -14.168 2.522 1.00 2.52 H new ATOM 0 HB3 ALA A 531 -4.964 -14.711 4.076 1.00 2.52 H new ATOM 468 N ARG A 532 -4.519 -18.604 3.165 1.00 33.14 N ATOM 469 CA ARG A 532 -4.375 -19.732 4.046 1.00 12.34 C ATOM 470 C ARG A 532 -2.915 -20.019 4.284 1.00 24.20 C ATOM 471 O ARG A 532 -2.295 -20.839 3.602 1.00 51.23 O ATOM 472 CB ARG A 532 -5.125 -20.976 3.548 1.00 72.15 C ATOM 473 CG ARG A 532 -6.639 -20.815 3.489 1.00 11.54 C ATOM 474 CD ARG A 532 -7.219 -20.517 4.865 1.00 44.02 C ATOM 475 NE ARG A 532 -8.667 -20.319 4.824 1.00 75.24 N ATOM 476 CZ ARG A 532 -9.320 -19.322 5.434 1.00 74.21 C ATOM 477 NH1 ARG A 532 -8.667 -18.453 6.192 1.00 53.24 N ATOM 478 NH2 ARG A 532 -10.630 -19.211 5.300 1.00 34.40 N ATOM 0 H ARG A 532 -4.549 -18.836 2.172 1.00 33.14 H new ATOM 0 HA ARG A 532 -4.839 -19.468 4.996 1.00 12.34 H new ATOM 0 HB2 ARG A 532 -4.760 -21.232 2.553 1.00 72.15 H new ATOM 0 HB3 ARG A 532 -4.886 -21.815 4.201 1.00 72.15 H new ATOM 0 HG2 ARG A 532 -6.894 -20.008 2.802 1.00 11.54 H new ATOM 0 HG3 ARG A 532 -7.088 -21.725 3.092 1.00 11.54 H new ATOM 0 HD2 ARG A 532 -6.986 -21.339 5.541 1.00 44.02 H new ATOM 0 HD3 ARG A 532 -6.744 -19.625 5.272 1.00 44.02 H new ATOM 0 HE ARG A 532 -9.221 -20.990 4.291 1.00 75.24 H new ATOM 0 HH11 ARG A 532 -7.658 -18.540 6.315 1.00 53.24 H new ATOM 0 HH12 ARG A 532 -9.173 -17.697 6.653 1.00 53.24 H new ATOM 0 HH21 ARG A 532 -11.143 -19.885 4.732 1.00 34.40 H new ATOM 0 HH22 ARG A 532 -11.128 -18.452 5.765 1.00 34.40 H new ATOM 492 N GLY A 533 -2.351 -19.271 5.189 1.00 64.13 N ATOM 493 CA GLY A 533 -0.989 -19.444 5.529 1.00 31.55 C ATOM 494 C GLY A 533 -0.351 -18.164 5.959 1.00 25.10 C ATOM 495 O GLY A 533 -0.779 -17.526 6.932 1.00 63.32 O ATOM 0 H GLY A 533 -2.829 -18.531 5.703 1.00 64.13 H new ATOM 0 HA2 GLY A 533 -0.906 -20.177 6.331 1.00 31.55 H new ATOM 0 HA3 GLY A 533 -0.450 -19.847 4.672 1.00 31.55 H new ATOM 499 N ASN A 534 0.639 -17.774 5.229 1.00 33.25 N ATOM 500 CA ASN A 534 1.395 -16.594 5.512 1.00 31.22 C ATOM 501 C ASN A 534 1.790 -15.986 4.185 1.00 51.13 C ATOM 502 O ASN A 534 2.235 -16.705 3.292 1.00 22.52 O ATOM 503 CB ASN A 534 2.631 -16.997 6.327 1.00 64.40 C ATOM 504 CG ASN A 534 3.494 -15.847 6.805 1.00 71.14 C ATOM 505 OD1 ASN A 534 4.699 -15.994 6.941 1.00 32.25 O ATOM 506 ND2 ASN A 534 2.909 -14.719 7.084 1.00 72.00 N ATOM 0 H ASN A 534 0.955 -18.276 4.399 1.00 33.25 H new ATOM 0 HA ASN A 534 0.824 -15.867 6.089 1.00 31.22 H new ATOM 0 HB2 ASN A 534 2.303 -17.569 7.195 1.00 64.40 H new ATOM 0 HB3 ASN A 534 3.245 -17.663 5.720 1.00 64.40 H new ATOM 0 HD21 ASN A 534 3.458 -13.930 7.425 1.00 72.00 H new ATOM 0 HD22 ASN A 534 1.901 -14.623 6.961 1.00 72.00 H new ATOM 513 N VAL A 535 1.575 -14.703 4.020 1.00 25.34 N ATOM 514 CA VAL A 535 1.884 -14.028 2.773 1.00 54.42 C ATOM 515 C VAL A 535 2.737 -12.804 3.060 1.00 52.43 C ATOM 516 O VAL A 535 2.462 -12.047 3.993 1.00 62.43 O ATOM 517 CB VAL A 535 0.583 -13.605 1.993 1.00 42.12 C ATOM 518 CG1 VAL A 535 0.913 -12.969 0.649 1.00 65.53 C ATOM 519 CG2 VAL A 535 -0.304 -14.799 1.759 1.00 10.33 C ATOM 0 H VAL A 535 1.183 -14.096 4.740 1.00 25.34 H new ATOM 0 HA VAL A 535 2.431 -14.726 2.139 1.00 54.42 H new ATOM 0 HB VAL A 535 0.066 -12.871 2.611 1.00 42.12 H new ATOM 0 HG11 VAL A 535 -0.011 -12.691 0.141 1.00 65.53 H new ATOM 0 HG12 VAL A 535 1.522 -12.079 0.807 1.00 65.53 H new ATOM 0 HG13 VAL A 535 1.464 -13.681 0.035 1.00 65.53 H new ATOM 0 HG21 VAL A 535 -1.198 -14.488 1.219 1.00 10.33 H new ATOM 0 HG22 VAL A 535 0.234 -15.543 1.171 1.00 10.33 H new ATOM 0 HG23 VAL A 535 -0.591 -15.232 2.717 1.00 10.33 H new ATOM 529 N ILE A 536 3.775 -12.645 2.295 1.00 73.11 N ATOM 530 CA ILE A 536 4.654 -11.514 2.421 1.00 64.42 C ATOM 531 C ILE A 536 4.282 -10.477 1.386 1.00 31.04 C ATOM 532 O ILE A 536 4.179 -10.793 0.197 1.00 44.43 O ATOM 533 CB ILE A 536 6.147 -11.920 2.245 1.00 55.12 C ATOM 534 CG1 ILE A 536 6.636 -12.777 3.416 1.00 3.33 C ATOM 535 CG2 ILE A 536 7.030 -10.705 2.080 1.00 1.12 C ATOM 536 CD1 ILE A 536 6.634 -12.064 4.751 1.00 44.04 C ATOM 0 H ILE A 536 4.041 -13.300 1.559 1.00 73.11 H new ATOM 0 HA ILE A 536 4.539 -11.105 3.425 1.00 64.42 H new ATOM 0 HB ILE A 536 6.212 -12.518 1.336 1.00 55.12 H new ATOM 0 HG12 ILE A 536 6.007 -13.664 3.490 1.00 3.33 H new ATOM 0 HG13 ILE A 536 7.648 -13.121 3.202 1.00 3.33 H new ATOM 0 HG21 ILE A 536 8.066 -11.022 1.959 1.00 1.12 H new ATOM 0 HG22 ILE A 536 6.717 -10.145 1.199 1.00 1.12 H new ATOM 0 HG23 ILE A 536 6.945 -10.071 2.962 1.00 1.12 H new ATOM 0 HD11 ILE A 536 6.994 -12.741 5.526 1.00 44.04 H new ATOM 0 HD12 ILE A 536 7.287 -11.192 4.699 1.00 44.04 H new ATOM 0 HD13 ILE A 536 5.620 -11.744 4.991 1.00 44.04 H new ATOM 548 N VAL A 537 4.055 -9.277 1.835 1.00 62.43 N ATOM 549 CA VAL A 537 3.734 -8.176 0.965 1.00 73.14 C ATOM 550 C VAL A 537 4.845 -7.127 1.075 1.00 1.33 C ATOM 551 O VAL A 537 4.935 -6.421 2.082 1.00 25.12 O ATOM 552 CB VAL A 537 2.375 -7.513 1.336 1.00 53.14 C ATOM 553 CG1 VAL A 537 1.990 -6.443 0.319 1.00 73.31 C ATOM 554 CG2 VAL A 537 1.275 -8.554 1.469 1.00 64.22 C ATOM 0 H VAL A 537 4.087 -9.030 2.824 1.00 62.43 H new ATOM 0 HA VAL A 537 3.650 -8.560 -0.052 1.00 73.14 H new ATOM 0 HB VAL A 537 2.497 -7.028 2.305 1.00 53.14 H new ATOM 0 HG11 VAL A 537 1.037 -5.997 0.603 1.00 73.31 H new ATOM 0 HG12 VAL A 537 2.759 -5.671 0.294 1.00 73.31 H new ATOM 0 HG13 VAL A 537 1.899 -6.896 -0.668 1.00 73.31 H new ATOM 0 HG21 VAL A 537 0.338 -8.062 1.729 1.00 64.22 H new ATOM 0 HG22 VAL A 537 1.158 -9.082 0.523 1.00 64.22 H new ATOM 0 HG23 VAL A 537 1.540 -9.265 2.251 1.00 64.22 H new ATOM 564 N PRO A 538 5.734 -7.050 0.088 1.00 60.10 N ATOM 565 CA PRO A 538 6.824 -6.074 0.093 1.00 31.23 C ATOM 566 C PRO A 538 6.300 -4.661 -0.152 1.00 32.12 C ATOM 567 O PRO A 538 5.313 -4.479 -0.859 1.00 54.33 O ATOM 568 CB PRO A 538 7.714 -6.531 -1.067 1.00 40.51 C ATOM 569 CG PRO A 538 6.789 -7.237 -1.992 1.00 34.32 C ATOM 570 CD PRO A 538 5.749 -7.891 -1.127 1.00 75.30 C ATOM 0 HA PRO A 538 7.349 -6.033 1.047 1.00 31.23 H new ATOM 0 HB2 PRO A 538 8.194 -5.684 -1.556 1.00 40.51 H new ATOM 0 HB3 PRO A 538 8.509 -7.191 -0.721 1.00 40.51 H new ATOM 0 HG2 PRO A 538 6.330 -6.538 -2.692 1.00 34.32 H new ATOM 0 HG3 PRO A 538 7.323 -7.978 -2.586 1.00 34.32 H new ATOM 0 HD2 PRO A 538 4.774 -7.909 -1.615 1.00 75.30 H new ATOM 0 HD3 PRO A 538 6.010 -8.924 -0.897 1.00 75.30 H new ATOM 578 N TYR A 539 6.928 -3.681 0.441 1.00 3.20 N ATOM 579 CA TYR A 539 6.521 -2.307 0.270 1.00 63.40 C ATOM 580 C TYR A 539 7.716 -1.400 0.425 1.00 32.53 C ATOM 581 O TYR A 539 8.756 -1.817 0.973 1.00 13.14 O ATOM 582 CB TYR A 539 5.413 -1.917 1.275 1.00 2.22 C ATOM 583 CG TYR A 539 5.832 -1.936 2.734 1.00 34.43 C ATOM 584 CD1 TYR A 539 5.898 -3.124 3.437 1.00 75.14 C ATOM 585 CD2 TYR A 539 6.156 -0.760 3.403 1.00 34.32 C ATOM 586 CE1 TYR A 539 6.275 -3.146 4.757 1.00 11.42 C ATOM 587 CE2 TYR A 539 6.535 -0.777 4.728 1.00 24.41 C ATOM 588 CZ TYR A 539 6.595 -1.980 5.398 1.00 61.14 C ATOM 589 OH TYR A 539 6.963 -2.016 6.716 1.00 74.12 O ATOM 0 H TYR A 539 7.733 -3.809 1.054 1.00 3.20 H new ATOM 0 HA TYR A 539 6.109 -2.194 -0.733 1.00 63.40 H new ATOM 0 HB2 TYR A 539 5.056 -0.917 1.029 1.00 2.22 H new ATOM 0 HB3 TYR A 539 4.571 -2.597 1.146 1.00 2.22 H new ATOM 0 HD1 TYR A 539 5.649 -4.050 2.940 1.00 75.14 H new ATOM 0 HD2 TYR A 539 6.110 0.181 2.876 1.00 34.32 H new ATOM 0 HE1 TYR A 539 6.319 -4.084 5.290 1.00 11.42 H new ATOM 0 HE2 TYR A 539 6.783 0.143 5.236 1.00 24.41 H new ATOM 0 HH TYR A 539 7.160 -1.107 7.026 1.00 74.12 H new ATOM 599 N LYS A 540 7.591 -0.191 -0.061 1.00 40.13 N ATOM 600 CA LYS A 540 8.640 0.786 0.046 1.00 51.22 C ATOM 601 C LYS A 540 8.103 2.206 -0.028 1.00 25.13 C ATOM 602 O LYS A 540 7.054 2.450 -0.651 1.00 43.31 O ATOM 603 CB LYS A 540 9.808 0.509 -0.952 1.00 1.34 C ATOM 604 CG LYS A 540 9.470 0.351 -2.445 1.00 34.03 C ATOM 605 CD LYS A 540 8.963 1.634 -3.080 1.00 50.24 C ATOM 606 CE LYS A 540 9.009 1.567 -4.593 1.00 61.21 C ATOM 607 NZ LYS A 540 8.115 0.546 -5.189 1.00 4.04 N ATOM 0 H LYS A 540 6.756 0.142 -0.543 1.00 40.13 H new ATOM 0 HA LYS A 540 9.076 0.685 1.040 1.00 51.22 H new ATOM 0 HB2 LYS A 540 10.526 1.324 -0.858 1.00 1.34 H new ATOM 0 HB3 LYS A 540 10.314 -0.400 -0.628 1.00 1.34 H new ATOM 0 HG2 LYS A 540 10.359 0.015 -2.979 1.00 34.03 H new ATOM 0 HG3 LYS A 540 8.716 -0.427 -2.560 1.00 34.03 H new ATOM 0 HD2 LYS A 540 7.940 1.821 -2.755 1.00 50.24 H new ATOM 0 HD3 LYS A 540 9.566 2.474 -2.734 1.00 50.24 H new ATOM 0 HE2 LYS A 540 8.743 2.544 -4.996 1.00 61.21 H new ATOM 0 HE3 LYS A 540 10.033 1.362 -4.904 1.00 61.21 H new ATOM 0 HZ1 LYS A 540 8.667 -0.076 -5.814 1.00 4.04 H new ATOM 0 HZ2 LYS A 540 7.681 -0.020 -4.432 1.00 4.04 H new ATOM 0 HZ3 LYS A 540 7.369 1.017 -5.740 1.00 4.04 H new ATOM 621 N THR A 541 8.767 3.107 0.655 1.00 1.40 N ATOM 622 CA THR A 541 8.443 4.506 0.622 1.00 35.12 C ATOM 623 C THR A 541 9.130 5.200 -0.558 1.00 43.42 C ATOM 624 O THR A 541 10.355 5.143 -0.691 1.00 1.20 O ATOM 625 CB THR A 541 8.900 5.177 1.938 1.00 70.25 C ATOM 626 OG1 THR A 541 10.167 4.621 2.349 1.00 53.11 O ATOM 627 CG2 THR A 541 7.887 4.981 3.048 1.00 22.21 C ATOM 0 H THR A 541 9.559 2.882 1.257 1.00 1.40 H new ATOM 0 HA THR A 541 7.363 4.603 0.507 1.00 35.12 H new ATOM 0 HB THR A 541 8.997 6.246 1.751 1.00 70.25 H new ATOM 0 HG1 THR A 541 10.885 5.008 1.806 1.00 53.11 H new ATOM 0 HG21 THR A 541 8.244 5.467 3.956 1.00 22.21 H new ATOM 0 HG22 THR A 541 6.934 5.420 2.752 1.00 22.21 H new ATOM 0 HG23 THR A 541 7.754 3.915 3.235 1.00 22.21 H new ATOM 635 N ILE A 542 8.358 5.795 -1.428 1.00 65.03 N ATOM 636 CA ILE A 542 8.916 6.602 -2.486 1.00 52.44 C ATOM 637 C ILE A 542 9.076 7.984 -1.891 1.00 14.31 C ATOM 638 O ILE A 542 8.083 8.586 -1.491 1.00 31.45 O ATOM 639 CB ILE A 542 8.008 6.700 -3.774 1.00 13.41 C ATOM 640 CG1 ILE A 542 7.738 5.333 -4.441 1.00 62.42 C ATOM 641 CG2 ILE A 542 8.608 7.655 -4.799 1.00 1.30 C ATOM 642 CD1 ILE A 542 6.713 4.469 -3.743 1.00 52.45 C ATOM 0 H ILE A 542 7.340 5.737 -1.427 1.00 65.03 H new ATOM 0 HA ILE A 542 9.848 6.149 -2.824 1.00 52.44 H new ATOM 0 HB ILE A 542 7.050 7.086 -3.426 1.00 13.41 H new ATOM 0 HG12 ILE A 542 7.408 5.505 -5.465 1.00 62.42 H new ATOM 0 HG13 ILE A 542 8.677 4.782 -4.497 1.00 62.42 H new ATOM 0 HG21 ILE A 542 7.961 7.702 -5.675 1.00 1.30 H new ATOM 0 HG22 ILE A 542 8.698 8.649 -4.361 1.00 1.30 H new ATOM 0 HG23 ILE A 542 9.594 7.298 -5.095 1.00 1.30 H new ATOM 0 HD11 ILE A 542 6.595 3.532 -4.288 1.00 52.45 H new ATOM 0 HD12 ILE A 542 7.046 4.258 -2.727 1.00 52.45 H new ATOM 0 HD13 ILE A 542 5.758 4.993 -3.710 1.00 52.45 H new ATOM 654 N GLU A 543 10.310 8.448 -1.804 1.00 72.33 N ATOM 655 CA GLU A 543 10.656 9.720 -1.155 1.00 52.14 C ATOM 656 C GLU A 543 9.877 10.894 -1.739 1.00 44.54 C ATOM 657 O GLU A 543 9.379 11.750 -1.001 1.00 24.12 O ATOM 658 CB GLU A 543 12.154 9.960 -1.281 1.00 60.40 C ATOM 659 CG GLU A 543 12.993 8.841 -0.693 1.00 52.20 C ATOM 660 CD GLU A 543 14.453 8.990 -0.995 1.00 51.33 C ATOM 661 OE1 GLU A 543 14.854 8.769 -2.157 1.00 15.33 O ATOM 662 OE2 GLU A 543 15.235 9.328 -0.085 1.00 54.21 O ATOM 0 H GLU A 543 11.117 7.953 -2.184 1.00 72.33 H new ATOM 0 HA GLU A 543 10.380 9.648 -0.103 1.00 52.14 H new ATOM 0 HB2 GLU A 543 12.408 10.080 -2.334 1.00 60.40 H new ATOM 0 HB3 GLU A 543 12.408 10.896 -0.783 1.00 60.40 H new ATOM 0 HG2 GLU A 543 12.851 8.816 0.387 1.00 52.20 H new ATOM 0 HG3 GLU A 543 12.642 7.886 -1.083 1.00 52.20 H new ATOM 669 N GLY A 544 9.778 10.918 -3.052 1.00 32.14 N ATOM 670 CA GLY A 544 9.048 11.943 -3.751 1.00 43.34 C ATOM 671 C GLY A 544 9.719 13.286 -3.632 1.00 62.35 C ATOM 672 O GLY A 544 10.626 13.615 -4.397 1.00 65.23 O ATOM 0 H GLY A 544 10.205 10.222 -3.663 1.00 32.14 H new ATOM 0 HA2 GLY A 544 8.959 11.673 -4.803 1.00 43.34 H new ATOM 0 HA3 GLY A 544 8.036 12.005 -3.351 1.00 43.34 H new ATOM 676 N THR A 545 9.295 14.046 -2.665 1.00 21.00 N ATOM 677 CA THR A 545 9.859 15.342 -2.432 1.00 31.54 C ATOM 678 C THR A 545 10.368 15.455 -0.987 1.00 22.33 C ATOM 679 O THR A 545 10.929 16.482 -0.593 1.00 53.11 O ATOM 680 CB THR A 545 8.840 16.474 -2.765 1.00 14.55 C ATOM 681 OG1 THR A 545 9.420 17.770 -2.531 1.00 23.34 O ATOM 682 CG2 THR A 545 7.572 16.328 -1.941 1.00 1.52 C ATOM 0 H THR A 545 8.551 13.786 -2.018 1.00 21.00 H new ATOM 0 HA THR A 545 10.709 15.467 -3.102 1.00 31.54 H new ATOM 0 HB THR A 545 8.585 16.384 -3.821 1.00 14.55 H new ATOM 0 HG1 THR A 545 10.131 17.694 -1.861 1.00 23.34 H new ATOM 0 HG21 THR A 545 6.879 17.131 -2.194 1.00 1.52 H new ATOM 0 HG22 THR A 545 7.107 15.366 -2.156 1.00 1.52 H new ATOM 0 HG23 THR A 545 7.819 16.382 -0.881 1.00 1.52 H new ATOM 690 N ALA A 546 10.175 14.408 -0.214 1.00 22.42 N ATOM 691 CA ALA A 546 10.621 14.369 1.157 1.00 50.13 C ATOM 692 C ALA A 546 12.027 13.782 1.224 1.00 53.21 C ATOM 693 O ALA A 546 12.440 13.050 0.317 1.00 53.53 O ATOM 694 CB ALA A 546 9.654 13.546 1.982 1.00 74.03 C ATOM 0 H ALA A 546 9.702 13.558 -0.522 1.00 22.42 H new ATOM 0 HA ALA A 546 10.650 15.380 1.563 1.00 50.13 H new ATOM 0 HB1 ALA A 546 9.992 13.517 3.018 1.00 74.03 H new ATOM 0 HB2 ALA A 546 8.662 13.996 1.936 1.00 74.03 H new ATOM 0 HB3 ALA A 546 9.610 12.531 1.586 1.00 74.03 H new ATOM 700 N ARG A 547 12.764 14.115 2.265 1.00 5.23 N ATOM 701 CA ARG A 547 14.123 13.629 2.424 1.00 62.21 C ATOM 702 C ARG A 547 14.118 12.363 3.299 1.00 2.31 C ATOM 703 O ARG A 547 13.869 12.429 4.522 1.00 12.33 O ATOM 704 CB ARG A 547 14.992 14.726 3.052 1.00 2.43 C ATOM 705 CG ARG A 547 16.484 14.466 3.006 1.00 11.34 C ATOM 706 CD ARG A 547 17.007 14.371 1.595 1.00 3.22 C ATOM 707 NE ARG A 547 18.455 14.137 1.570 1.00 51.55 N ATOM 708 CZ ARG A 547 19.100 13.415 0.646 1.00 21.33 C ATOM 709 NH1 ARG A 547 18.422 12.793 -0.312 1.00 32.33 N ATOM 710 NH2 ARG A 547 20.421 13.304 0.695 1.00 25.25 N ATOM 0 H ARG A 547 12.443 14.724 3.018 1.00 5.23 H new ATOM 0 HA ARG A 547 14.541 13.374 1.450 1.00 62.21 H new ATOM 0 HB2 ARG A 547 14.787 15.667 2.542 1.00 2.43 H new ATOM 0 HB3 ARG A 547 14.693 14.855 4.092 1.00 2.43 H new ATOM 0 HG2 ARG A 547 17.006 15.266 3.531 1.00 11.34 H new ATOM 0 HG3 ARG A 547 16.705 13.540 3.536 1.00 11.34 H new ATOM 0 HD2 ARG A 547 16.498 13.562 1.072 1.00 3.22 H new ATOM 0 HD3 ARG A 547 16.777 15.292 1.059 1.00 3.22 H new ATOM 0 HE ARG A 547 19.013 14.557 2.314 1.00 51.55 H new ATOM 0 HH11 ARG A 547 17.405 12.864 -0.346 1.00 32.33 H new ATOM 0 HH12 ARG A 547 18.918 12.244 -1.014 1.00 32.33 H new ATOM 0 HH21 ARG A 547 20.945 13.769 1.437 1.00 25.25 H new ATOM 0 HH22 ARG A 547 20.913 12.754 -0.009 1.00 25.25 H new ATOM 724 N GLY A 548 14.367 11.222 2.678 1.00 64.44 N ATOM 725 CA GLY A 548 14.299 9.954 3.382 1.00 73.04 C ATOM 726 C GLY A 548 15.600 9.533 4.016 1.00 1.14 C ATOM 727 O GLY A 548 16.502 10.351 4.215 1.00 25.34 O ATOM 0 H GLY A 548 14.617 11.148 1.692 1.00 64.44 H new ATOM 0 HA2 GLY A 548 13.535 10.021 4.156 1.00 73.04 H new ATOM 0 HA3 GLY A 548 13.980 9.180 2.684 1.00 73.04 H new ATOM 731 N GLY A 549 15.676 8.261 4.364 1.00 15.45 N ATOM 732 CA GLY A 549 16.871 7.683 4.952 1.00 2.23 C ATOM 733 C GLY A 549 17.046 8.015 6.422 1.00 73.44 C ATOM 734 O GLY A 549 18.116 7.779 6.992 1.00 13.10 O ATOM 0 H GLY A 549 14.909 7.598 4.247 1.00 15.45 H new ATOM 0 HA2 GLY A 549 16.836 6.600 4.834 1.00 2.23 H new ATOM 0 HA3 GLY A 549 17.744 8.036 4.402 1.00 2.23 H new ATOM 738 N GLY A 550 16.008 8.549 7.042 1.00 13.51 N ATOM 739 CA GLY A 550 16.097 8.915 8.429 1.00 21.15 C ATOM 740 C GLY A 550 16.434 10.371 8.598 1.00 52.12 C ATOM 741 O GLY A 550 16.633 10.840 9.712 1.00 71.13 O ATOM 0 H GLY A 550 15.105 8.734 6.605 1.00 13.51 H new ATOM 0 HA2 GLY A 550 15.150 8.701 8.924 1.00 21.15 H new ATOM 0 HA3 GLY A 550 16.857 8.306 8.918 1.00 21.15 H new ATOM 745 N GLU A 551 16.499 11.089 7.482 1.00 4.25 N ATOM 746 CA GLU A 551 16.831 12.501 7.500 1.00 70.14 C ATOM 747 C GLU A 551 15.628 13.287 8.029 1.00 24.03 C ATOM 748 O GLU A 551 15.653 13.802 9.141 1.00 42.24 O ATOM 749 CB GLU A 551 17.175 12.976 6.090 1.00 4.12 C ATOM 750 CG GLU A 551 18.013 14.240 6.034 1.00 71.41 C ATOM 751 CD GLU A 551 19.395 14.030 6.575 1.00 21.34 C ATOM 752 OE1 GLU A 551 20.188 13.309 5.943 1.00 5.44 O ATOM 753 OE2 GLU A 551 19.724 14.592 7.623 1.00 44.30 O ATOM 0 H GLU A 551 16.324 10.710 6.551 1.00 4.25 H new ATOM 0 HA GLU A 551 17.694 12.664 8.145 1.00 70.14 H new ATOM 0 HB2 GLU A 551 17.709 12.179 5.573 1.00 4.12 H new ATOM 0 HB3 GLU A 551 16.248 13.146 5.542 1.00 4.12 H new ATOM 0 HG2 GLU A 551 18.078 14.585 5.002 1.00 71.41 H new ATOM 0 HG3 GLU A 551 17.518 15.027 6.603 1.00 71.41 H new ATOM 760 N ASP A 552 14.566 13.344 7.232 1.00 24.31 N ATOM 761 CA ASP A 552 13.349 14.026 7.657 1.00 2.30 C ATOM 762 C ASP A 552 12.299 12.967 7.949 1.00 31.20 C ATOM 763 O ASP A 552 11.484 13.091 8.858 1.00 1.21 O ATOM 764 CB ASP A 552 12.840 14.987 6.577 1.00 20.24 C ATOM 765 CG ASP A 552 11.964 16.076 7.148 1.00 52.10 C ATOM 766 OD1 ASP A 552 10.823 15.809 7.513 1.00 75.52 O ATOM 767 OD2 ASP A 552 12.401 17.252 7.182 1.00 55.41 O ATOM 0 H ASP A 552 14.522 12.932 6.300 1.00 24.31 H new ATOM 0 HA ASP A 552 13.558 14.621 8.546 1.00 2.30 H new ATOM 0 HB2 ASP A 552 13.690 15.438 6.065 1.00 20.24 H new ATOM 0 HB3 ASP A 552 12.279 14.426 5.830 1.00 20.24 H new ATOM 772 N PHE A 553 12.341 11.888 7.183 1.00 74.11 N ATOM 773 CA PHE A 553 11.484 10.766 7.440 1.00 31.21 C ATOM 774 C PHE A 553 12.303 9.498 7.314 1.00 60.10 C ATOM 775 O PHE A 553 13.363 9.492 6.654 1.00 20.32 O ATOM 776 CB PHE A 553 10.247 10.725 6.506 1.00 42.32 C ATOM 777 CG PHE A 553 10.468 10.155 5.116 1.00 3.32 C ATOM 778 CD1 PHE A 553 10.874 10.949 4.068 1.00 1.35 C ATOM 779 CD2 PHE A 553 10.231 8.812 4.872 1.00 54.21 C ATOM 780 CE1 PHE A 553 11.048 10.408 2.802 1.00 11.52 C ATOM 781 CE2 PHE A 553 10.401 8.270 3.620 1.00 54.41 C ATOM 782 CZ PHE A 553 10.810 9.067 2.583 1.00 43.43 C ATOM 0 H PHE A 553 12.962 11.776 6.382 1.00 74.11 H new ATOM 0 HA PHE A 553 11.087 10.861 8.450 1.00 31.21 H new ATOM 0 HB2 PHE A 553 9.469 10.139 6.995 1.00 42.32 H new ATOM 0 HB3 PHE A 553 9.864 11.740 6.402 1.00 42.32 H new ATOM 0 HD1 PHE A 553 11.058 12.000 4.232 1.00 1.35 H new ATOM 0 HD2 PHE A 553 9.906 8.177 5.683 1.00 54.21 H new ATOM 0 HE1 PHE A 553 11.370 11.038 1.986 1.00 11.52 H new ATOM 0 HE2 PHE A 553 10.213 7.220 3.454 1.00 54.41 H new ATOM 0 HZ PHE A 553 10.946 8.647 1.597 1.00 43.43 H new ATOM 792 N GLU A 554 11.844 8.459 7.936 1.00 32.43 N ATOM 793 CA GLU A 554 12.502 7.181 7.917 1.00 13.41 C ATOM 794 C GLU A 554 11.993 6.411 6.703 1.00 33.44 C ATOM 795 O GLU A 554 10.788 6.195 6.553 1.00 23.24 O ATOM 796 CB GLU A 554 12.182 6.478 9.245 1.00 34.41 C ATOM 797 CG GLU A 554 12.933 5.194 9.588 1.00 64.21 C ATOM 798 CD GLU A 554 12.555 3.973 8.784 1.00 33.51 C ATOM 799 OE1 GLU A 554 11.417 3.470 8.937 1.00 1.44 O ATOM 800 OE2 GLU A 554 13.422 3.448 8.055 1.00 43.34 O ATOM 0 H GLU A 554 10.984 8.470 8.484 1.00 32.43 H new ATOM 0 HA GLU A 554 13.585 7.261 7.829 1.00 13.41 H new ATOM 0 HB2 GLU A 554 12.361 7.192 10.049 1.00 34.41 H new ATOM 0 HB3 GLU A 554 11.116 6.251 9.251 1.00 34.41 H new ATOM 0 HG2 GLU A 554 14.000 5.375 9.458 1.00 64.21 H new ATOM 0 HG3 GLU A 554 12.773 4.974 10.643 1.00 64.21 H new ATOM 807 N ASP A 555 12.907 6.045 5.834 1.00 53.21 N ATOM 808 CA ASP A 555 12.577 5.345 4.601 1.00 15.12 C ATOM 809 C ASP A 555 12.331 3.901 4.904 1.00 50.34 C ATOM 810 O ASP A 555 13.274 3.119 5.097 1.00 1.15 O ATOM 811 CB ASP A 555 13.703 5.499 3.574 1.00 10.02 C ATOM 812 CG ASP A 555 13.509 4.674 2.303 1.00 24.30 C ATOM 813 OD1 ASP A 555 12.721 5.084 1.433 1.00 65.42 O ATOM 814 OD2 ASP A 555 14.208 3.630 2.132 1.00 13.01 O ATOM 0 H ASP A 555 13.904 6.222 5.957 1.00 53.21 H new ATOM 0 HA ASP A 555 11.674 5.780 4.172 1.00 15.12 H new ATOM 0 HB2 ASP A 555 13.789 6.551 3.301 1.00 10.02 H new ATOM 0 HB3 ASP A 555 14.646 5.212 4.040 1.00 10.02 H new ATOM 819 N THR A 556 11.094 3.544 4.973 1.00 32.02 N ATOM 820 CA THR A 556 10.761 2.242 5.352 1.00 24.22 C ATOM 821 C THR A 556 10.464 1.363 4.138 1.00 52.41 C ATOM 822 O THR A 556 9.410 1.429 3.488 1.00 33.31 O ATOM 823 CB THR A 556 9.653 2.190 6.457 1.00 21.41 C ATOM 824 OG1 THR A 556 9.513 0.861 6.976 1.00 32.44 O ATOM 825 CG2 THR A 556 8.309 2.687 5.955 1.00 53.13 C ATOM 0 H THR A 556 10.301 4.152 4.767 1.00 32.02 H new ATOM 0 HA THR A 556 11.641 1.812 5.830 1.00 24.22 H new ATOM 0 HB THR A 556 9.978 2.859 7.254 1.00 21.41 H new ATOM 0 HG1 THR A 556 8.817 0.851 7.666 1.00 32.44 H new ATOM 0 HG21 THR A 556 7.576 2.630 6.760 1.00 53.13 H new ATOM 0 HG22 THR A 556 8.404 3.721 5.623 1.00 53.13 H new ATOM 0 HG23 THR A 556 7.980 2.067 5.121 1.00 53.13 H new ATOM 833 N CYS A 557 11.448 0.635 3.783 1.00 71.22 N ATOM 834 CA CYS A 557 11.347 -0.351 2.784 1.00 2.15 C ATOM 835 C CYS A 557 11.460 -1.681 3.482 1.00 45.04 C ATOM 836 O CYS A 557 12.336 -1.858 4.340 1.00 1.02 O ATOM 837 CB CYS A 557 12.436 -0.121 1.739 1.00 71.34 C ATOM 838 SG CYS A 557 14.018 0.405 2.444 1.00 63.54 S ATOM 0 H CYS A 557 12.378 0.711 4.194 1.00 71.22 H new ATOM 0 HA CYS A 557 10.400 -0.316 2.246 1.00 2.15 H new ATOM 0 HB2 CYS A 557 12.587 -1.042 1.175 1.00 71.34 H new ATOM 0 HB3 CYS A 557 12.095 0.634 1.031 1.00 71.34 H new ATOM 0 HG CYS A 557 14.134 1.695 2.336 1.00 63.54 H new ATOM 844 N GLY A 558 10.553 -2.565 3.212 1.00 71.55 N ATOM 845 CA GLY A 558 10.548 -3.815 3.885 1.00 44.44 C ATOM 846 C GLY A 558 9.404 -4.639 3.433 1.00 72.24 C ATOM 847 O GLY A 558 8.869 -4.412 2.336 1.00 30.11 O ATOM 0 H GLY A 558 9.807 -2.440 2.528 1.00 71.55 H new ATOM 0 HA2 GLY A 558 11.483 -4.342 3.693 1.00 44.44 H new ATOM 0 HA3 GLY A 558 10.487 -3.656 4.962 1.00 44.44 H new ATOM 851 N GLU A 559 8.995 -5.562 4.246 1.00 51.41 N ATOM 852 CA GLU A 559 7.954 -6.474 3.883 1.00 5.04 C ATOM 853 C GLU A 559 6.951 -6.665 5.017 1.00 61.01 C ATOM 854 O GLU A 559 7.326 -6.826 6.189 1.00 14.32 O ATOM 855 CB GLU A 559 8.582 -7.806 3.491 1.00 21.24 C ATOM 856 CG GLU A 559 9.448 -7.741 2.238 1.00 54.01 C ATOM 857 CD GLU A 559 10.269 -8.975 2.011 1.00 14.13 C ATOM 858 OE1 GLU A 559 11.290 -9.137 2.680 1.00 75.35 O ATOM 859 OE2 GLU A 559 9.962 -9.778 1.109 1.00 44.03 O ATOM 0 H GLU A 559 9.374 -5.705 5.182 1.00 51.41 H new ATOM 0 HA GLU A 559 7.403 -6.061 3.038 1.00 5.04 H new ATOM 0 HB2 GLU A 559 9.189 -8.167 4.321 1.00 21.24 H new ATOM 0 HB3 GLU A 559 7.789 -8.537 3.334 1.00 21.24 H new ATOM 0 HG2 GLU A 559 8.807 -7.577 1.372 1.00 54.01 H new ATOM 0 HG3 GLU A 559 10.113 -6.880 2.310 1.00 54.01 H new ATOM 866 N LEU A 560 5.686 -6.609 4.669 1.00 62.52 N ATOM 867 CA LEU A 560 4.611 -6.873 5.594 1.00 32.40 C ATOM 868 C LEU A 560 4.324 -8.336 5.592 1.00 52.14 C ATOM 869 O LEU A 560 4.211 -8.955 4.534 1.00 42.52 O ATOM 870 CB LEU A 560 3.331 -6.122 5.225 1.00 21.13 C ATOM 871 CG LEU A 560 3.287 -4.628 5.516 1.00 60.32 C ATOM 872 CD1 LEU A 560 2.012 -4.039 4.956 1.00 45.50 C ATOM 873 CD2 LEU A 560 3.354 -4.380 7.017 1.00 72.12 C ATOM 0 H LEU A 560 5.373 -6.377 3.727 1.00 62.52 H new ATOM 0 HA LEU A 560 4.928 -6.531 6.579 1.00 32.40 H new ATOM 0 HB2 LEU A 560 3.153 -6.263 4.159 1.00 21.13 H new ATOM 0 HB3 LEU A 560 2.501 -6.592 5.752 1.00 21.13 H new ATOM 0 HG LEU A 560 4.145 -4.150 5.043 1.00 60.32 H new ATOM 0 HD11 LEU A 560 1.983 -2.970 5.165 1.00 45.50 H new ATOM 0 HD12 LEU A 560 1.980 -4.199 3.878 1.00 45.50 H new ATOM 0 HD13 LEU A 560 1.153 -4.523 5.420 1.00 45.50 H new ATOM 0 HD21 LEU A 560 3.322 -3.308 7.210 1.00 72.12 H new ATOM 0 HD22 LEU A 560 2.506 -4.862 7.504 1.00 72.12 H new ATOM 0 HD23 LEU A 560 4.282 -4.792 7.413 1.00 72.12 H new ATOM 885 N GLU A 561 4.215 -8.881 6.738 1.00 33.13 N ATOM 886 CA GLU A 561 3.951 -10.264 6.885 1.00 71.34 C ATOM 887 C GLU A 561 2.505 -10.434 7.320 1.00 21.15 C ATOM 888 O GLU A 561 2.146 -10.074 8.427 1.00 25.35 O ATOM 889 CB GLU A 561 4.947 -10.834 7.897 1.00 40.40 C ATOM 890 CG GLU A 561 4.895 -12.324 8.101 1.00 5.42 C ATOM 891 CD GLU A 561 6.078 -12.809 8.894 1.00 53.51 C ATOM 892 OE1 GLU A 561 6.054 -12.735 10.127 1.00 62.43 O ATOM 893 OE2 GLU A 561 7.067 -13.250 8.281 1.00 30.32 O ATOM 0 H GLU A 561 4.307 -8.375 7.619 1.00 33.13 H new ATOM 0 HA GLU A 561 4.077 -10.810 5.950 1.00 71.34 H new ATOM 0 HB2 GLU A 561 5.954 -10.565 7.578 1.00 40.40 H new ATOM 0 HB3 GLU A 561 4.777 -10.349 8.858 1.00 40.40 H new ATOM 0 HG2 GLU A 561 3.974 -12.590 8.619 1.00 5.42 H new ATOM 0 HG3 GLU A 561 4.873 -12.825 7.133 1.00 5.42 H new ATOM 900 N PHE A 562 1.674 -10.903 6.413 1.00 24.43 N ATOM 901 CA PHE A 562 0.262 -11.099 6.687 1.00 4.22 C ATOM 902 C PHE A 562 0.047 -12.564 6.963 1.00 35.35 C ATOM 903 O PHE A 562 0.547 -13.418 6.217 1.00 50.11 O ATOM 904 CB PHE A 562 -0.584 -10.699 5.468 1.00 11.25 C ATOM 905 CG PHE A 562 -1.695 -9.715 5.757 1.00 2.00 C ATOM 906 CD1 PHE A 562 -2.499 -9.835 6.891 1.00 11.11 C ATOM 907 CD2 PHE A 562 -1.922 -8.652 4.893 1.00 15.32 C ATOM 908 CE1 PHE A 562 -3.498 -8.915 7.142 1.00 60.30 C ATOM 909 CE2 PHE A 562 -2.921 -7.732 5.144 1.00 54.30 C ATOM 910 CZ PHE A 562 -3.708 -7.863 6.269 1.00 32.52 C ATOM 0 H PHE A 562 1.955 -11.159 5.467 1.00 24.43 H new ATOM 0 HA PHE A 562 -0.035 -10.485 7.537 1.00 4.22 H new ATOM 0 HB2 PHE A 562 0.074 -10.269 4.713 1.00 11.25 H new ATOM 0 HB3 PHE A 562 -1.020 -11.600 5.036 1.00 11.25 H new ATOM 0 HD1 PHE A 562 -2.339 -10.653 7.577 1.00 11.11 H new ATOM 0 HD2 PHE A 562 -1.308 -8.543 4.011 1.00 15.32 H new ATOM 0 HE1 PHE A 562 -4.116 -9.017 8.022 1.00 60.30 H new ATOM 0 HE2 PHE A 562 -3.086 -6.912 4.461 1.00 54.30 H new ATOM 0 HZ PHE A 562 -4.489 -7.144 6.468 1.00 32.52 H new ATOM 920 N GLN A 563 -0.653 -12.893 8.006 1.00 21.40 N ATOM 921 CA GLN A 563 -0.857 -14.287 8.304 1.00 11.41 C ATOM 922 C GLN A 563 -2.318 -14.622 8.297 1.00 23.42 C ATOM 923 O GLN A 563 -3.159 -13.736 8.336 1.00 30.11 O ATOM 924 CB GLN A 563 -0.231 -14.670 9.636 1.00 41.51 C ATOM 925 CG GLN A 563 1.166 -14.134 9.807 1.00 13.43 C ATOM 926 CD GLN A 563 1.938 -14.776 10.922 1.00 10.55 C ATOM 927 OE1 GLN A 563 2.758 -14.130 11.565 1.00 4.13 O ATOM 928 NE2 GLN A 563 1.750 -16.052 11.119 1.00 33.24 N ATOM 0 H GLN A 563 -1.086 -12.236 8.655 1.00 21.40 H new ATOM 0 HA GLN A 563 -0.362 -14.866 7.524 1.00 11.41 H new ATOM 0 HB2 GLN A 563 -0.858 -14.298 10.446 1.00 41.51 H new ATOM 0 HB3 GLN A 563 -0.210 -15.756 9.722 1.00 41.51 H new ATOM 0 HG2 GLN A 563 1.713 -14.272 8.874 1.00 13.43 H new ATOM 0 HG3 GLN A 563 1.112 -13.061 9.988 1.00 13.43 H new ATOM 0 HE21 GLN A 563 1.059 -16.557 10.565 1.00 33.24 H new ATOM 0 HE22 GLN A 563 2.294 -16.544 11.827 1.00 33.24 H new ATOM 937 N ASN A 564 -2.611 -15.894 8.252 1.00 72.34 N ATOM 938 CA ASN A 564 -3.977 -16.397 8.255 1.00 14.45 C ATOM 939 C ASN A 564 -4.700 -16.025 9.541 1.00 2.44 C ATOM 940 O ASN A 564 -5.892 -15.747 9.534 1.00 50.24 O ATOM 941 CB ASN A 564 -3.973 -17.925 8.049 1.00 31.23 C ATOM 942 CG ASN A 564 -5.344 -18.570 8.160 1.00 42.33 C ATOM 943 OD1 ASN A 564 -6.085 -18.645 7.186 1.00 3.21 O ATOM 944 ND2 ASN A 564 -5.667 -19.088 9.322 1.00 73.32 N ATOM 0 H ASN A 564 -1.904 -16.628 8.211 1.00 72.34 H new ATOM 0 HA ASN A 564 -4.518 -15.931 7.431 1.00 14.45 H new ATOM 0 HB2 ASN A 564 -3.557 -18.147 7.066 1.00 31.23 H new ATOM 0 HB3 ASN A 564 -3.309 -18.378 8.785 1.00 31.23 H new ATOM 0 HD21 ASN A 564 -6.558 -19.571 9.435 1.00 73.32 H new ATOM 0 HD22 ASN A 564 -5.027 -19.007 10.112 1.00 73.32 H new ATOM 951 N ASP A 565 -3.968 -15.975 10.636 1.00 41.45 N ATOM 952 CA ASP A 565 -4.583 -15.670 11.934 1.00 2.23 C ATOM 953 C ASP A 565 -4.381 -14.199 12.309 1.00 12.45 C ATOM 954 O ASP A 565 -4.907 -13.706 13.300 1.00 42.32 O ATOM 955 CB ASP A 565 -4.049 -16.616 13.029 1.00 13.41 C ATOM 956 CG ASP A 565 -4.674 -16.386 14.396 1.00 5.42 C ATOM 957 OD1 ASP A 565 -5.919 -16.502 14.532 1.00 22.44 O ATOM 958 OD2 ASP A 565 -3.924 -16.117 15.373 1.00 53.02 O ATOM 0 H ASP A 565 -2.961 -16.137 10.665 1.00 41.45 H new ATOM 0 HA ASP A 565 -5.657 -15.837 11.849 1.00 2.23 H new ATOM 0 HB2 ASP A 565 -4.230 -17.647 12.726 1.00 13.41 H new ATOM 0 HB3 ASP A 565 -2.969 -16.492 13.108 1.00 13.41 H new ATOM 963 N GLU A 566 -3.658 -13.487 11.491 1.00 2.03 N ATOM 964 CA GLU A 566 -3.412 -12.090 11.758 1.00 52.54 C ATOM 965 C GLU A 566 -4.295 -11.245 10.867 1.00 61.52 C ATOM 966 O GLU A 566 -4.384 -11.485 9.655 1.00 23.21 O ATOM 967 CB GLU A 566 -1.930 -11.731 11.570 1.00 50.53 C ATOM 968 CG GLU A 566 -1.622 -10.262 11.823 1.00 51.50 C ATOM 969 CD GLU A 566 -0.155 -9.938 11.798 1.00 23.41 C ATOM 970 OE1 GLU A 566 0.451 -9.961 10.732 1.00 73.10 O ATOM 971 OE2 GLU A 566 0.409 -9.595 12.853 1.00 44.20 O ATOM 0 H GLU A 566 -3.229 -13.844 10.637 1.00 2.03 H new ATOM 0 HA GLU A 566 -3.657 -11.886 12.800 1.00 52.54 H new ATOM 0 HB2 GLU A 566 -1.329 -12.341 12.244 1.00 50.53 H new ATOM 0 HB3 GLU A 566 -1.629 -11.987 10.554 1.00 50.53 H new ATOM 0 HG2 GLU A 566 -2.131 -9.659 11.071 1.00 51.50 H new ATOM 0 HG3 GLU A 566 -2.032 -9.976 12.792 1.00 51.50 H new ATOM 978 N ILE A 567 -4.978 -10.302 11.445 1.00 50.53 N ATOM 979 CA ILE A 567 -5.820 -9.443 10.682 1.00 32.54 C ATOM 980 C ILE A 567 -5.235 -8.070 10.702 1.00 10.12 C ATOM 981 O ILE A 567 -4.624 -7.683 11.705 1.00 14.02 O ATOM 982 CB ILE A 567 -7.304 -9.421 11.200 1.00 72.35 C ATOM 983 CG1 ILE A 567 -7.446 -8.748 12.580 1.00 43.13 C ATOM 984 CG2 ILE A 567 -7.872 -10.823 11.246 1.00 43.35 C ATOM 985 CD1 ILE A 567 -7.910 -7.306 12.538 1.00 64.50 C ATOM 0 H ILE A 567 -4.965 -10.111 12.447 1.00 50.53 H new ATOM 0 HA ILE A 567 -5.865 -9.827 9.663 1.00 32.54 H new ATOM 0 HB ILE A 567 -7.872 -8.820 10.490 1.00 72.35 H new ATOM 0 HG12 ILE A 567 -8.151 -9.325 13.179 1.00 43.13 H new ATOM 0 HG13 ILE A 567 -6.484 -8.791 13.090 1.00 43.13 H new ATOM 0 HG21 ILE A 567 -8.900 -10.787 11.607 1.00 43.35 H new ATOM 0 HG22 ILE A 567 -7.853 -11.256 10.246 1.00 43.35 H new ATOM 0 HG23 ILE A 567 -7.272 -11.437 11.918 1.00 43.35 H new ATOM 0 HD11 ILE A 567 -7.981 -6.917 13.554 1.00 64.50 H new ATOM 0 HD12 ILE A 567 -7.196 -6.710 11.970 1.00 64.50 H new ATOM 0 HD13 ILE A 567 -8.888 -7.252 12.060 1.00 64.50 H new ATOM 997 N VAL A 568 -5.398 -7.379 9.589 1.00 24.34 N ATOM 998 CA VAL A 568 -4.996 -5.990 9.360 1.00 43.13 C ATOM 999 C VAL A 568 -3.485 -5.713 9.545 1.00 75.41 C ATOM 1000 O VAL A 568 -2.844 -6.147 10.488 1.00 52.21 O ATOM 1001 CB VAL A 568 -5.883 -4.976 10.157 1.00 64.02 C ATOM 1002 CG1 VAL A 568 -5.448 -4.762 11.610 1.00 11.22 C ATOM 1003 CG2 VAL A 568 -6.041 -3.670 9.421 1.00 42.31 C ATOM 0 H VAL A 568 -5.840 -7.791 8.767 1.00 24.34 H new ATOM 0 HA VAL A 568 -5.179 -5.825 8.298 1.00 43.13 H new ATOM 0 HB VAL A 568 -6.864 -5.447 10.221 1.00 64.02 H new ATOM 0 HG11 VAL A 568 -6.116 -4.045 12.088 1.00 11.22 H new ATOM 0 HG12 VAL A 568 -5.490 -5.710 12.146 1.00 11.22 H new ATOM 0 HG13 VAL A 568 -4.428 -4.378 11.632 1.00 11.22 H new ATOM 0 HG21 VAL A 568 -6.663 -2.995 10.008 1.00 42.31 H new ATOM 0 HG22 VAL A 568 -5.061 -3.219 9.267 1.00 42.31 H new ATOM 0 HG23 VAL A 568 -6.513 -3.851 8.455 1.00 42.31 H new ATOM 1013 N LYS A 569 -2.927 -5.014 8.624 1.00 15.42 N ATOM 1014 CA LYS A 569 -1.543 -4.639 8.725 1.00 53.30 C ATOM 1015 C LYS A 569 -1.425 -3.177 8.779 1.00 65.04 C ATOM 1016 O LYS A 569 -2.374 -2.458 8.465 1.00 10.35 O ATOM 1017 CB LYS A 569 -0.682 -5.183 7.581 1.00 52.14 C ATOM 1018 CG LYS A 569 -0.594 -6.684 7.533 1.00 33.32 C ATOM 1019 CD LYS A 569 -0.088 -7.275 8.836 1.00 55.31 C ATOM 1020 CE LYS A 569 1.352 -6.964 9.106 1.00 33.32 C ATOM 1021 NZ LYS A 569 1.806 -7.594 10.365 1.00 42.32 N ATOM 0 H LYS A 569 -3.401 -4.683 7.783 1.00 15.42 H new ATOM 0 HA LYS A 569 -1.166 -5.087 9.644 1.00 53.30 H new ATOM 0 HB2 LYS A 569 -1.087 -4.824 6.635 1.00 52.14 H new ATOM 0 HB3 LYS A 569 0.324 -4.774 7.673 1.00 52.14 H new ATOM 0 HG2 LYS A 569 -1.578 -7.096 7.308 1.00 33.32 H new ATOM 0 HG3 LYS A 569 0.069 -6.981 6.721 1.00 33.32 H new ATOM 0 HD2 LYS A 569 -0.695 -6.897 9.659 1.00 55.31 H new ATOM 0 HD3 LYS A 569 -0.221 -8.357 8.813 1.00 55.31 H new ATOM 0 HE2 LYS A 569 1.965 -7.318 8.277 1.00 33.32 H new ATOM 0 HE3 LYS A 569 1.489 -5.884 9.166 1.00 33.32 H new ATOM 0 HZ1 LYS A 569 2.846 -7.598 10.396 1.00 42.32 H new ATOM 0 HZ2 LYS A 569 1.438 -7.056 11.175 1.00 42.32 H new ATOM 0 HZ3 LYS A 569 1.454 -8.572 10.410 1.00 42.32 H new ATOM 1035 N THR A 570 -0.293 -2.743 9.185 1.00 32.04 N ATOM 1036 CA THR A 570 0.004 -1.345 9.245 1.00 63.12 C ATOM 1037 C THR A 570 1.338 -1.032 8.640 1.00 11.25 C ATOM 1038 O THR A 570 2.325 -1.751 8.865 1.00 40.53 O ATOM 1039 CB THR A 570 -0.039 -0.784 10.684 1.00 4.23 C ATOM 1040 OG1 THR A 570 0.590 -1.684 11.619 1.00 12.32 O ATOM 1041 CG2 THR A 570 -1.445 -0.470 11.122 1.00 62.30 C ATOM 0 H THR A 570 0.470 -3.347 9.491 1.00 32.04 H new ATOM 0 HA THR A 570 -0.780 -0.860 8.664 1.00 63.12 H new ATOM 0 HB THR A 570 0.524 0.149 10.675 1.00 4.23 H new ATOM 0 HG1 THR A 570 1.041 -1.166 12.318 1.00 12.32 H new ATOM 0 HG21 THR A 570 -1.430 -0.078 12.139 1.00 62.30 H new ATOM 0 HG22 THR A 570 -1.877 0.274 10.453 1.00 62.30 H new ATOM 0 HG23 THR A 570 -2.047 -1.378 11.092 1.00 62.30 H new ATOM 1049 N ILE A 571 1.368 -0.010 7.832 1.00 40.55 N ATOM 1050 CA ILE A 571 2.608 0.506 7.364 1.00 64.01 C ATOM 1051 C ILE A 571 2.993 1.567 8.356 1.00 34.32 C ATOM 1052 O ILE A 571 2.368 2.625 8.413 1.00 22.24 O ATOM 1053 CB ILE A 571 2.577 1.117 5.917 1.00 55.42 C ATOM 1054 CG1 ILE A 571 2.306 0.064 4.825 1.00 13.03 C ATOM 1055 CG2 ILE A 571 3.896 1.798 5.618 1.00 63.33 C ATOM 1056 CD1 ILE A 571 0.933 -0.539 4.837 1.00 53.11 C ATOM 0 H ILE A 571 0.542 0.478 7.487 1.00 40.55 H new ATOM 0 HA ILE A 571 3.321 -0.315 7.288 1.00 64.01 H new ATOM 0 HB ILE A 571 1.755 1.833 5.900 1.00 55.42 H new ATOM 0 HG12 ILE A 571 2.473 0.524 3.851 1.00 13.03 H new ATOM 0 HG13 ILE A 571 3.037 -0.738 4.928 1.00 13.03 H new ATOM 0 HG21 ILE A 571 3.868 2.220 4.613 1.00 63.33 H new ATOM 0 HG22 ILE A 571 4.066 2.595 6.342 1.00 63.33 H new ATOM 0 HG23 ILE A 571 4.705 1.070 5.684 1.00 63.33 H new ATOM 0 HD11 ILE A 571 0.848 -1.266 4.029 1.00 53.11 H new ATOM 0 HD12 ILE A 571 0.762 -1.036 5.792 1.00 53.11 H new ATOM 0 HD13 ILE A 571 0.190 0.246 4.698 1.00 53.11 H new ATOM 1068 N SER A 572 3.917 1.234 9.182 1.00 34.02 N ATOM 1069 CA SER A 572 4.375 2.088 10.216 1.00 0.42 C ATOM 1070 C SER A 572 5.558 2.892 9.690 1.00 50.44 C ATOM 1071 O SER A 572 6.614 2.330 9.376 1.00 52.21 O ATOM 1072 CB SER A 572 4.793 1.203 11.386 1.00 41.20 C ATOM 1073 OG SER A 572 3.812 0.180 11.615 1.00 60.42 O ATOM 0 H SER A 572 4.390 0.331 9.156 1.00 34.02 H new ATOM 0 HA SER A 572 3.603 2.784 10.543 1.00 0.42 H new ATOM 0 HB2 SER A 572 5.761 0.747 11.178 1.00 41.20 H new ATOM 0 HB3 SER A 572 4.912 1.809 12.284 1.00 41.20 H new ATOM 0 HG SER A 572 3.111 0.525 12.207 1.00 60.42 H new ATOM 1079 N VAL A 573 5.378 4.176 9.547 1.00 53.02 N ATOM 1080 CA VAL A 573 6.427 5.026 9.033 1.00 63.01 C ATOM 1081 C VAL A 573 6.843 6.004 10.090 1.00 51.11 C ATOM 1082 O VAL A 573 6.014 6.756 10.625 1.00 10.44 O ATOM 1083 CB VAL A 573 6.019 5.795 7.741 1.00 60.40 C ATOM 1084 CG1 VAL A 573 7.171 6.654 7.215 1.00 61.11 C ATOM 1085 CG2 VAL A 573 5.556 4.833 6.668 1.00 71.04 C ATOM 0 H VAL A 573 4.512 4.663 9.779 1.00 53.02 H new ATOM 0 HA VAL A 573 7.258 4.374 8.762 1.00 63.01 H new ATOM 0 HB VAL A 573 5.193 6.457 8.001 1.00 60.40 H new ATOM 0 HG11 VAL A 573 6.853 7.177 6.313 1.00 61.11 H new ATOM 0 HG12 VAL A 573 7.458 7.382 7.974 1.00 61.11 H new ATOM 0 HG13 VAL A 573 8.024 6.016 6.983 1.00 61.11 H new ATOM 0 HG21 VAL A 573 5.276 5.392 5.775 1.00 71.04 H new ATOM 0 HG22 VAL A 573 6.364 4.142 6.426 1.00 71.04 H new ATOM 0 HG23 VAL A 573 4.695 4.272 7.030 1.00 71.04 H new ATOM 1095 N LYS A 574 8.097 5.957 10.414 1.00 71.32 N ATOM 1096 CA LYS A 574 8.677 6.829 11.376 1.00 41.41 C ATOM 1097 C LYS A 574 8.973 8.182 10.758 1.00 0.34 C ATOM 1098 O LYS A 574 9.687 8.292 9.757 1.00 33.35 O ATOM 1099 CB LYS A 574 9.949 6.182 11.967 1.00 4.34 C ATOM 1100 CG LYS A 574 10.757 7.065 12.909 1.00 72.21 C ATOM 1101 CD LYS A 574 9.971 7.457 14.141 1.00 31.42 C ATOM 1102 CE LYS A 574 10.775 8.380 15.035 1.00 10.35 C ATOM 1103 NZ LYS A 574 12.018 7.757 15.528 1.00 10.21 N ATOM 0 H LYS A 574 8.757 5.295 10.006 1.00 71.32 H new ATOM 0 HA LYS A 574 7.969 6.991 12.189 1.00 41.41 H new ATOM 0 HB2 LYS A 574 9.660 5.278 12.503 1.00 4.34 H new ATOM 0 HB3 LYS A 574 10.594 5.873 11.144 1.00 4.34 H new ATOM 0 HG2 LYS A 574 11.663 6.538 13.210 1.00 72.21 H new ATOM 0 HG3 LYS A 574 11.072 7.964 12.380 1.00 72.21 H new ATOM 0 HD2 LYS A 574 9.046 7.950 13.843 1.00 31.42 H new ATOM 0 HD3 LYS A 574 9.691 6.562 14.696 1.00 31.42 H new ATOM 0 HE2 LYS A 574 11.022 9.288 14.484 1.00 10.35 H new ATOM 0 HE3 LYS A 574 10.162 8.680 15.885 1.00 10.35 H new ATOM 0 HZ1 LYS A 574 12.423 8.343 16.286 1.00 10.21 H new ATOM 0 HZ2 LYS A 574 11.808 6.808 15.899 1.00 10.21 H new ATOM 0 HZ3 LYS A 574 12.701 7.680 14.747 1.00 10.21 H new ATOM 1117 N VAL A 575 8.384 9.184 11.315 1.00 50.34 N ATOM 1118 CA VAL A 575 8.662 10.522 10.923 1.00 62.44 C ATOM 1119 C VAL A 575 9.727 11.020 11.872 1.00 4.32 C ATOM 1120 O VAL A 575 9.634 10.808 13.088 1.00 43.51 O ATOM 1121 CB VAL A 575 7.394 11.426 10.981 1.00 74.22 C ATOM 1122 CG1 VAL A 575 7.708 12.850 10.532 1.00 55.44 C ATOM 1123 CG2 VAL A 575 6.287 10.834 10.115 1.00 62.22 C ATOM 0 H VAL A 575 7.692 9.097 12.059 1.00 50.34 H new ATOM 0 HA VAL A 575 8.997 10.557 9.886 1.00 62.44 H new ATOM 0 HB VAL A 575 7.056 11.466 12.016 1.00 74.22 H new ATOM 0 HG11 VAL A 575 6.803 13.456 10.584 1.00 55.44 H new ATOM 0 HG12 VAL A 575 8.469 13.278 11.185 1.00 55.44 H new ATOM 0 HG13 VAL A 575 8.076 12.835 9.506 1.00 55.44 H new ATOM 0 HG21 VAL A 575 5.406 11.474 10.163 1.00 62.22 H new ATOM 0 HG22 VAL A 575 6.630 10.766 9.083 1.00 62.22 H new ATOM 0 HG23 VAL A 575 6.033 9.839 10.479 1.00 62.22 H new ATOM 1133 N ILE A 576 10.740 11.617 11.338 1.00 62.35 N ATOM 1134 CA ILE A 576 11.860 12.048 12.120 1.00 51.21 C ATOM 1135 C ILE A 576 11.555 13.459 12.605 1.00 30.42 C ATOM 1136 O ILE A 576 10.648 14.116 12.071 1.00 75.24 O ATOM 1137 CB ILE A 576 13.168 12.008 11.248 1.00 12.01 C ATOM 1138 CG1 ILE A 576 13.316 10.626 10.567 1.00 73.41 C ATOM 1139 CG2 ILE A 576 14.418 12.319 12.068 1.00 44.44 C ATOM 1140 CD1 ILE A 576 13.472 9.460 11.510 1.00 3.44 C ATOM 0 H ILE A 576 10.819 11.823 10.342 1.00 62.35 H new ATOM 0 HA ILE A 576 12.024 11.392 12.975 1.00 51.21 H new ATOM 0 HB ILE A 576 13.072 12.783 10.487 1.00 12.01 H new ATOM 0 HG12 ILE A 576 12.441 10.452 9.941 1.00 73.41 H new ATOM 0 HG13 ILE A 576 14.181 10.656 9.905 1.00 73.41 H new ATOM 0 HG21 ILE A 576 15.296 12.279 11.423 1.00 44.44 H new ATOM 0 HG22 ILE A 576 14.331 13.316 12.501 1.00 44.44 H new ATOM 0 HG23 ILE A 576 14.521 11.584 12.867 1.00 44.44 H new ATOM 0 HD11 ILE A 576 13.568 8.538 10.936 1.00 3.44 H new ATOM 0 HD12 ILE A 576 14.364 9.602 12.120 1.00 3.44 H new ATOM 0 HD13 ILE A 576 12.597 9.395 12.156 1.00 3.44 H new ATOM 1152 N ASP A 577 12.226 13.895 13.639 1.00 52.14 N ATOM 1153 CA ASP A 577 12.011 15.234 14.147 1.00 14.24 C ATOM 1154 C ASP A 577 12.592 16.230 13.179 1.00 22.41 C ATOM 1155 O ASP A 577 13.807 16.258 12.944 1.00 64.22 O ATOM 1156 CB ASP A 577 12.584 15.429 15.550 1.00 34.44 C ATOM 1157 CG ASP A 577 11.907 14.574 16.583 1.00 51.13 C ATOM 1158 OD1 ASP A 577 10.790 14.917 17.024 1.00 62.32 O ATOM 1159 OD2 ASP A 577 12.480 13.530 16.968 1.00 13.32 O ATOM 0 H ASP A 577 12.923 13.350 14.147 1.00 52.14 H new ATOM 0 HA ASP A 577 10.937 15.394 14.236 1.00 14.24 H new ATOM 0 HB2 ASP A 577 13.649 15.199 15.537 1.00 34.44 H new ATOM 0 HB3 ASP A 577 12.488 16.477 15.834 1.00 34.44 H new ATOM 1164 N ASP A 578 11.720 17.018 12.612 1.00 51.43 N ATOM 1165 CA ASP A 578 12.048 17.950 11.545 1.00 62.21 C ATOM 1166 C ASP A 578 13.072 18.998 11.975 1.00 63.54 C ATOM 1167 O ASP A 578 13.091 19.455 13.122 1.00 3.41 O ATOM 1168 CB ASP A 578 10.782 18.616 11.044 1.00 62.13 C ATOM 1169 CG ASP A 578 10.953 19.343 9.747 1.00 41.33 C ATOM 1170 OD1 ASP A 578 12.014 19.257 9.116 1.00 14.33 O ATOM 1171 OD2 ASP A 578 9.996 19.982 9.298 1.00 14.02 O ATOM 0 H ASP A 578 10.736 17.037 12.879 1.00 51.43 H new ATOM 0 HA ASP A 578 12.508 17.379 10.738 1.00 62.21 H new ATOM 0 HB2 ASP A 578 10.007 17.859 10.926 1.00 62.13 H new ATOM 0 HB3 ASP A 578 10.429 19.318 11.799 1.00 62.13 H new ATOM 1176 N GLU A 579 13.908 19.351 11.058 1.00 22.22 N ATOM 1177 CA GLU A 579 14.987 20.267 11.261 1.00 30.15 C ATOM 1178 C GLU A 579 14.549 21.689 10.923 1.00 34.34 C ATOM 1179 O GLU A 579 14.733 22.618 11.703 1.00 32.31 O ATOM 1180 CB GLU A 579 16.151 19.894 10.338 1.00 13.12 C ATOM 1181 CG GLU A 579 16.329 18.402 10.101 1.00 52.31 C ATOM 1182 CD GLU A 579 15.596 17.888 8.854 1.00 43.40 C ATOM 1183 OE1 GLU A 579 14.354 18.176 8.667 1.00 64.12 O ATOM 1184 OE2 GLU A 579 16.242 17.211 8.037 1.00 70.14 O ATOM 0 H GLU A 579 13.859 18.995 10.103 1.00 22.22 H new ATOM 0 HA GLU A 579 15.292 20.215 12.306 1.00 30.15 H new ATOM 0 HB2 GLU A 579 16.004 20.385 9.376 1.00 13.12 H new ATOM 0 HB3 GLU A 579 17.073 20.292 10.761 1.00 13.12 H new ATOM 0 HG2 GLU A 579 17.392 18.182 10.004 1.00 52.31 H new ATOM 0 HG3 GLU A 579 15.969 17.858 10.974 1.00 52.31 H new ATOM 1191 N GLU A 580 13.942 21.831 9.771 1.00 30.55 N ATOM 1192 CA GLU A 580 13.564 23.120 9.231 1.00 73.04 C ATOM 1193 C GLU A 580 12.074 23.095 8.869 1.00 23.43 C ATOM 1194 O GLU A 580 11.309 22.386 9.499 1.00 5.03 O ATOM 1195 CB GLU A 580 14.458 23.466 7.990 1.00 25.23 C ATOM 1196 CG GLU A 580 14.309 22.570 6.737 1.00 15.22 C ATOM 1197 CD GLU A 580 14.722 21.125 6.927 1.00 21.21 C ATOM 1198 OE1 GLU A 580 13.904 20.321 7.412 1.00 64.14 O ATOM 1199 OE2 GLU A 580 15.849 20.758 6.562 1.00 32.22 O ATOM 0 H GLU A 580 13.692 21.045 9.171 1.00 30.55 H new ATOM 0 HA GLU A 580 13.724 23.900 9.975 1.00 73.04 H new ATOM 0 HB2 GLU A 580 14.245 24.494 7.697 1.00 25.23 H new ATOM 0 HB3 GLU A 580 15.501 23.434 8.306 1.00 25.23 H new ATOM 0 HG2 GLU A 580 13.268 22.595 6.414 1.00 15.22 H new ATOM 0 HG3 GLU A 580 14.904 22.999 5.930 1.00 15.22 H new ATOM 1206 N TYR A 581 11.665 23.890 7.914 1.00 60.42 N ATOM 1207 CA TYR A 581 10.293 23.894 7.451 1.00 64.14 C ATOM 1208 C TYR A 581 10.291 23.334 6.030 1.00 61.20 C ATOM 1209 O TYR A 581 11.299 23.449 5.315 1.00 64.35 O ATOM 1210 CB TYR A 581 9.724 25.339 7.437 1.00 44.04 C ATOM 1211 CG TYR A 581 10.326 26.214 6.349 1.00 32.24 C ATOM 1212 CD1 TYR A 581 11.589 26.765 6.490 1.00 2.34 C ATOM 1213 CD2 TYR A 581 9.639 26.439 5.155 1.00 62.15 C ATOM 1214 CE1 TYR A 581 12.154 27.510 5.483 1.00 13.54 C ATOM 1215 CE2 TYR A 581 10.195 27.191 4.147 1.00 60.42 C ATOM 1216 CZ TYR A 581 11.460 27.722 4.316 1.00 3.45 C ATOM 1217 OH TYR A 581 12.040 28.454 3.306 1.00 63.34 O ATOM 0 H TYR A 581 12.271 24.555 7.432 1.00 60.42 H new ATOM 0 HA TYR A 581 9.672 23.293 8.115 1.00 64.14 H new ATOM 0 HB2 TYR A 581 8.643 25.295 7.301 1.00 44.04 H new ATOM 0 HB3 TYR A 581 9.905 25.802 8.407 1.00 44.04 H new ATOM 0 HD1 TYR A 581 12.139 26.607 7.406 1.00 2.34 H new ATOM 0 HD2 TYR A 581 8.655 26.016 5.021 1.00 62.15 H new ATOM 0 HE1 TYR A 581 13.142 27.928 5.608 1.00 13.54 H new ATOM 0 HE2 TYR A 581 9.649 27.365 3.232 1.00 60.42 H new ATOM 0 HH TYR A 581 11.422 28.513 2.548 1.00 63.34 H new ATOM 1227 N GLU A 582 9.216 22.736 5.618 1.00 44.52 N ATOM 1228 CA GLU A 582 9.102 22.271 4.250 1.00 4.41 C ATOM 1229 C GLU A 582 7.813 22.775 3.653 1.00 64.12 C ATOM 1230 O GLU A 582 6.920 23.224 4.374 1.00 25.32 O ATOM 1231 CB GLU A 582 9.131 20.725 4.098 1.00 72.43 C ATOM 1232 CG GLU A 582 10.402 19.995 4.545 1.00 63.11 C ATOM 1233 CD GLU A 582 10.502 19.821 6.034 1.00 10.44 C ATOM 1234 OE1 GLU A 582 9.439 19.796 6.713 1.00 51.21 O ATOM 1235 OE2 GLU A 582 11.614 19.623 6.553 1.00 1.42 O ATOM 0 H GLU A 582 8.399 22.553 6.201 1.00 44.52 H new ATOM 0 HA GLU A 582 9.976 22.663 3.731 1.00 4.41 H new ATOM 0 HB2 GLU A 582 8.292 20.316 4.661 1.00 72.43 H new ATOM 0 HB3 GLU A 582 8.957 20.487 3.049 1.00 72.43 H new ATOM 0 HG2 GLU A 582 10.434 19.015 4.070 1.00 63.11 H new ATOM 0 HG3 GLU A 582 11.272 20.549 4.193 1.00 63.11 H new ATOM 1242 N LYS A 583 7.718 22.699 2.350 1.00 21.14 N ATOM 1243 CA LYS A 583 6.495 23.007 1.633 1.00 44.54 C ATOM 1244 C LYS A 583 5.702 21.712 1.594 1.00 32.40 C ATOM 1245 O LYS A 583 5.820 20.892 2.524 1.00 24.22 O ATOM 1246 CB LYS A 583 6.801 23.481 0.184 1.00 70.14 C ATOM 1247 CG LYS A 583 7.641 24.758 0.047 1.00 41.54 C ATOM 1248 CD LYS A 583 9.123 24.523 0.299 1.00 73.43 C ATOM 1249 CE LYS A 583 9.921 25.792 0.083 1.00 43.44 C ATOM 1250 NZ LYS A 583 11.377 25.550 0.153 1.00 53.24 N ATOM 0 H LYS A 583 8.491 22.420 1.746 1.00 21.14 H new ATOM 0 HA LYS A 583 5.947 23.811 2.123 1.00 44.54 H new ATOM 0 HB2 LYS A 583 7.317 22.675 -0.337 1.00 70.14 H new ATOM 0 HB3 LYS A 583 5.853 23.638 -0.331 1.00 70.14 H new ATOM 0 HG2 LYS A 583 7.509 25.168 -0.954 1.00 41.54 H new ATOM 0 HG3 LYS A 583 7.273 25.506 0.749 1.00 41.54 H new ATOM 0 HD2 LYS A 583 9.270 24.167 1.319 1.00 73.43 H new ATOM 0 HD3 LYS A 583 9.489 23.742 -0.367 1.00 73.43 H new ATOM 0 HE2 LYS A 583 9.671 26.216 -0.889 1.00 43.44 H new ATOM 0 HE3 LYS A 583 9.640 26.529 0.835 1.00 43.44 H new ATOM 0 HZ1 LYS A 583 11.885 26.444 -0.000 1.00 53.24 H new ATOM 0 HZ2 LYS A 583 11.621 25.169 1.089 1.00 53.24 H new ATOM 0 HZ3 LYS A 583 11.651 24.866 -0.581 1.00 53.24 H new ATOM 1264 N ASN A 584 4.879 21.528 0.593 1.00 64.42 N ATOM 1265 CA ASN A 584 4.208 20.242 0.413 1.00 72.31 C ATOM 1266 C ASN A 584 5.253 19.150 0.286 1.00 11.13 C ATOM 1267 O ASN A 584 6.045 19.116 -0.676 1.00 2.13 O ATOM 1268 CB ASN A 584 3.274 20.237 -0.797 1.00 63.34 C ATOM 1269 CG ASN A 584 2.685 18.860 -1.083 1.00 41.33 C ATOM 1270 OD1 ASN A 584 3.238 18.084 -1.867 1.00 14.45 O ATOM 1271 ND2 ASN A 584 1.586 18.538 -0.452 1.00 10.10 N ATOM 0 H ASN A 584 4.652 22.234 -0.107 1.00 64.42 H new ATOM 0 HA ASN A 584 3.584 20.060 1.288 1.00 72.31 H new ATOM 0 HB2 ASN A 584 2.463 20.946 -0.627 1.00 63.34 H new ATOM 0 HB3 ASN A 584 3.821 20.582 -1.674 1.00 63.34 H new ATOM 0 HD21 ASN A 584 1.162 17.623 -0.602 1.00 10.10 H new ATOM 0 HD22 ASN A 584 1.153 19.202 0.190 1.00 10.10 H new ATOM 1278 N LYS A 585 5.275 18.306 1.266 1.00 34.42 N ATOM 1279 CA LYS A 585 6.239 17.288 1.407 1.00 10.22 C ATOM 1280 C LYS A 585 5.480 16.014 1.613 1.00 21.22 C ATOM 1281 O LYS A 585 4.675 15.903 2.538 1.00 32.41 O ATOM 1282 CB LYS A 585 7.186 17.715 2.566 1.00 14.40 C ATOM 1283 CG LYS A 585 8.204 16.736 3.136 1.00 0.12 C ATOM 1284 CD LYS A 585 7.580 15.768 4.125 1.00 4.32 C ATOM 1285 CE LYS A 585 8.549 15.422 5.236 1.00 5.23 C ATOM 1286 NZ LYS A 585 8.934 16.622 6.023 1.00 3.33 N ATOM 0 H LYS A 585 4.586 18.316 2.018 1.00 34.42 H new ATOM 0 HA LYS A 585 6.883 17.127 0.542 1.00 10.22 H new ATOM 0 HB2 LYS A 585 7.739 18.590 2.224 1.00 14.40 H new ATOM 0 HB3 LYS A 585 6.555 18.040 3.393 1.00 14.40 H new ATOM 0 HG2 LYS A 585 8.661 16.175 2.321 1.00 0.12 H new ATOM 0 HG3 LYS A 585 9.003 17.291 3.628 1.00 0.12 H new ATOM 0 HD2 LYS A 585 6.678 16.208 4.549 1.00 4.32 H new ATOM 0 HD3 LYS A 585 7.277 14.858 3.606 1.00 4.32 H new ATOM 0 HE2 LYS A 585 8.096 14.683 5.897 1.00 5.23 H new ATOM 0 HE3 LYS A 585 9.442 14.964 4.811 1.00 5.23 H new ATOM 0 HZ1 LYS A 585 9.384 16.324 6.912 1.00 3.33 H new ATOM 0 HZ2 LYS A 585 9.603 17.198 5.473 1.00 3.33 H new ATOM 0 HZ3 LYS A 585 8.086 17.185 6.235 1.00 3.33 H new ATOM 1300 N THR A 586 5.667 15.100 0.710 1.00 63.22 N ATOM 1301 CA THR A 586 4.904 13.905 0.677 1.00 74.44 C ATOM 1302 C THR A 586 5.701 12.780 0.083 1.00 55.30 C ATOM 1303 O THR A 586 6.583 12.997 -0.770 1.00 12.52 O ATOM 1304 CB THR A 586 3.549 14.145 -0.089 1.00 13.42 C ATOM 1305 OG1 THR A 586 2.818 12.940 -0.265 1.00 73.22 O ATOM 1306 CG2 THR A 586 3.747 14.809 -1.440 1.00 71.31 C ATOM 0 H THR A 586 6.364 15.171 -0.031 1.00 63.22 H new ATOM 0 HA THR A 586 4.656 13.613 1.698 1.00 74.44 H new ATOM 0 HB THR A 586 2.977 14.822 0.545 1.00 13.42 H new ATOM 0 HG1 THR A 586 2.941 12.365 0.519 1.00 73.22 H new ATOM 0 HG21 THR A 586 2.779 14.949 -1.922 1.00 71.31 H new ATOM 0 HG22 THR A 586 4.228 15.778 -1.302 1.00 71.31 H new ATOM 0 HG23 THR A 586 4.376 14.178 -2.067 1.00 71.31 H new ATOM 1314 N PHE A 587 5.426 11.612 0.592 1.00 70.33 N ATOM 1315 CA PHE A 587 6.015 10.395 0.162 1.00 62.24 C ATOM 1316 C PHE A 587 4.927 9.410 -0.177 1.00 63.23 C ATOM 1317 O PHE A 587 3.817 9.474 0.384 1.00 5.05 O ATOM 1318 CB PHE A 587 7.036 9.833 1.182 1.00 33.31 C ATOM 1319 CG PHE A 587 6.678 9.929 2.653 1.00 11.10 C ATOM 1320 CD1 PHE A 587 5.716 9.118 3.245 1.00 43.22 C ATOM 1321 CD2 PHE A 587 7.367 10.814 3.455 1.00 34.53 C ATOM 1322 CE1 PHE A 587 5.466 9.205 4.604 1.00 1.43 C ATOM 1323 CE2 PHE A 587 7.112 10.903 4.805 1.00 23.42 C ATOM 1324 CZ PHE A 587 6.164 10.095 5.379 1.00 14.51 C ATOM 0 H PHE A 587 4.755 11.487 1.350 1.00 70.33 H new ATOM 0 HA PHE A 587 6.599 10.589 -0.738 1.00 62.24 H new ATOM 0 HB2 PHE A 587 7.206 8.783 0.945 1.00 33.31 H new ATOM 0 HB3 PHE A 587 7.983 10.351 1.031 1.00 33.31 H new ATOM 0 HD1 PHE A 587 5.160 8.416 2.641 1.00 43.22 H new ATOM 0 HD2 PHE A 587 8.121 11.450 3.016 1.00 34.53 H new ATOM 0 HE1 PHE A 587 4.718 8.569 5.055 1.00 1.43 H new ATOM 0 HE2 PHE A 587 7.659 11.609 5.412 1.00 23.42 H new ATOM 0 HZ PHE A 587 5.968 10.160 6.439 1.00 14.51 H new ATOM 1334 N PHE A 588 5.214 8.535 -1.091 1.00 4.21 N ATOM 1335 CA PHE A 588 4.226 7.618 -1.591 1.00 64.42 C ATOM 1336 C PHE A 588 4.528 6.230 -1.082 1.00 11.32 C ATOM 1337 O PHE A 588 5.686 5.835 -1.001 1.00 51.23 O ATOM 1338 CB PHE A 588 4.236 7.621 -3.126 1.00 32.20 C ATOM 1339 CG PHE A 588 4.292 9.003 -3.728 1.00 70.42 C ATOM 1340 CD1 PHE A 588 3.193 9.839 -3.705 1.00 4.24 C ATOM 1341 CD2 PHE A 588 5.462 9.462 -4.305 1.00 41.14 C ATOM 1342 CE1 PHE A 588 3.261 11.108 -4.249 1.00 73.23 C ATOM 1343 CE2 PHE A 588 5.536 10.724 -4.850 1.00 53.21 C ATOM 1344 CZ PHE A 588 4.436 11.549 -4.820 1.00 45.52 C ATOM 0 H PHE A 588 6.137 8.433 -1.513 1.00 4.21 H new ATOM 0 HA PHE A 588 3.240 7.927 -1.244 1.00 64.42 H new ATOM 0 HB2 PHE A 588 5.093 7.046 -3.476 1.00 32.20 H new ATOM 0 HB3 PHE A 588 3.342 7.112 -3.488 1.00 32.20 H new ATOM 0 HD1 PHE A 588 2.271 9.498 -3.258 1.00 4.24 H new ATOM 0 HD2 PHE A 588 6.331 8.821 -4.328 1.00 41.14 H new ATOM 0 HE1 PHE A 588 2.395 11.753 -4.227 1.00 73.23 H new ATOM 0 HE2 PHE A 588 6.456 11.066 -5.300 1.00 53.21 H new ATOM 0 HZ PHE A 588 4.492 12.541 -5.243 1.00 45.52 H new ATOM 1354 N LEU A 589 3.520 5.513 -0.704 1.00 40.31 N ATOM 1355 CA LEU A 589 3.700 4.155 -0.268 1.00 21.40 C ATOM 1356 C LEU A 589 3.143 3.261 -1.358 1.00 53.03 C ATOM 1357 O LEU A 589 2.063 3.537 -1.905 1.00 3.21 O ATOM 1358 CB LEU A 589 2.965 3.916 1.064 1.00 61.24 C ATOM 1359 CG LEU A 589 3.539 2.845 2.025 1.00 40.24 C ATOM 1360 CD1 LEU A 589 3.586 1.455 1.416 1.00 13.41 C ATOM 1361 CD2 LEU A 589 4.905 3.259 2.513 1.00 21.44 C ATOM 0 H LEU A 589 2.555 5.842 -0.686 1.00 40.31 H new ATOM 0 HA LEU A 589 4.754 3.938 -0.097 1.00 21.40 H new ATOM 0 HB2 LEU A 589 2.930 4.864 1.602 1.00 61.24 H new ATOM 0 HB3 LEU A 589 1.936 3.642 0.834 1.00 61.24 H new ATOM 0 HG LEU A 589 2.854 2.784 2.870 1.00 40.24 H new ATOM 0 HD11 LEU A 589 3.998 0.754 2.142 1.00 13.41 H new ATOM 0 HD12 LEU A 589 2.578 1.143 1.142 1.00 13.41 H new ATOM 0 HD13 LEU A 589 4.216 1.469 0.526 1.00 13.41 H new ATOM 0 HD21 LEU A 589 5.297 2.498 3.187 1.00 21.44 H new ATOM 0 HD22 LEU A 589 5.577 3.370 1.662 1.00 21.44 H new ATOM 0 HD23 LEU A 589 4.830 4.209 3.043 1.00 21.44 H new ATOM 1373 N GLU A 590 3.882 2.245 -1.698 1.00 11.42 N ATOM 1374 CA GLU A 590 3.499 1.322 -2.727 1.00 4.52 C ATOM 1375 C GLU A 590 3.938 -0.080 -2.318 1.00 65.11 C ATOM 1376 O GLU A 590 5.049 -0.261 -1.784 1.00 21.14 O ATOM 1377 CB GLU A 590 4.180 1.749 -4.022 1.00 35.41 C ATOM 1378 CG GLU A 590 3.867 0.917 -5.239 1.00 72.14 C ATOM 1379 CD GLU A 590 4.654 1.389 -6.424 1.00 13.31 C ATOM 1380 OE1 GLU A 590 5.871 1.123 -6.474 1.00 65.11 O ATOM 1381 OE2 GLU A 590 4.078 2.037 -7.327 1.00 61.42 O ATOM 0 H GLU A 590 4.779 2.031 -1.263 1.00 11.42 H new ATOM 0 HA GLU A 590 2.419 1.317 -2.874 1.00 4.52 H new ATOM 0 HB2 GLU A 590 3.903 2.782 -4.232 1.00 35.41 H new ATOM 0 HB3 GLU A 590 5.258 1.734 -3.864 1.00 35.41 H new ATOM 0 HG2 GLU A 590 4.096 -0.130 -5.038 1.00 72.14 H new ATOM 0 HG3 GLU A 590 2.801 0.973 -5.459 1.00 72.14 H new ATOM 1388 N ILE A 591 3.073 -1.043 -2.527 1.00 63.42 N ATOM 1389 CA ILE A 591 3.356 -2.423 -2.214 1.00 12.35 C ATOM 1390 C ILE A 591 3.704 -3.166 -3.496 1.00 34.44 C ATOM 1391 O ILE A 591 3.440 -2.672 -4.599 1.00 43.00 O ATOM 1392 CB ILE A 591 2.157 -3.122 -1.507 1.00 2.20 C ATOM 1393 CG1 ILE A 591 0.916 -3.162 -2.422 1.00 5.03 C ATOM 1394 CG2 ILE A 591 1.837 -2.421 -0.184 1.00 43.23 C ATOM 1395 CD1 ILE A 591 -0.314 -3.767 -1.781 1.00 32.44 C ATOM 0 H ILE A 591 2.145 -0.890 -2.922 1.00 63.42 H new ATOM 0 HA ILE A 591 4.198 -2.445 -1.523 1.00 12.35 H new ATOM 0 HB ILE A 591 2.442 -4.152 -1.293 1.00 2.20 H new ATOM 0 HG12 ILE A 591 0.682 -2.146 -2.741 1.00 5.03 H new ATOM 0 HG13 ILE A 591 1.160 -3.730 -3.320 1.00 5.03 H new ATOM 0 HG21 ILE A 591 0.997 -2.921 0.299 1.00 43.23 H new ATOM 0 HG22 ILE A 591 2.708 -2.463 0.470 1.00 43.23 H new ATOM 0 HG23 ILE A 591 1.578 -1.380 -0.377 1.00 43.23 H new ATOM 0 HD11 ILE A 591 -1.139 -3.755 -2.494 1.00 32.44 H new ATOM 0 HD12 ILE A 591 -0.103 -4.795 -1.487 1.00 32.44 H new ATOM 0 HD13 ILE A 591 -0.588 -3.187 -0.900 1.00 32.44 H new ATOM 1407 N GLY A 592 4.316 -4.303 -3.358 1.00 13.32 N ATOM 1408 CA GLY A 592 4.692 -5.086 -4.494 1.00 63.24 C ATOM 1409 C GLY A 592 3.894 -6.352 -4.596 1.00 13.14 C ATOM 1410 O GLY A 592 2.834 -6.474 -3.979 1.00 41.42 O ATOM 0 H GLY A 592 4.568 -4.712 -2.458 1.00 13.32 H new ATOM 0 HA2 GLY A 592 4.555 -4.497 -5.401 1.00 63.24 H new ATOM 0 HA3 GLY A 592 5.752 -5.330 -4.430 1.00 63.24 H new ATOM 1414 N GLU A 593 4.397 -7.271 -5.380 1.00 64.14 N ATOM 1415 CA GLU A 593 3.790 -8.562 -5.603 1.00 53.12 C ATOM 1416 C GLU A 593 3.866 -9.367 -4.318 1.00 50.25 C ATOM 1417 O GLU A 593 4.968 -9.615 -3.795 1.00 0.43 O ATOM 1418 CB GLU A 593 4.568 -9.269 -6.707 1.00 64.32 C ATOM 1419 CG GLU A 593 3.995 -10.559 -7.226 1.00 52.35 C ATOM 1420 CD GLU A 593 4.929 -11.177 -8.248 1.00 4.44 C ATOM 1421 OE1 GLU A 593 5.172 -10.562 -9.310 1.00 72.15 O ATOM 1422 OE2 GLU A 593 5.456 -12.257 -8.011 1.00 25.04 O ATOM 0 H GLU A 593 5.266 -7.139 -5.897 1.00 64.14 H new ATOM 0 HA GLU A 593 2.746 -8.456 -5.897 1.00 53.12 H new ATOM 0 HB2 GLU A 593 4.667 -8.580 -7.546 1.00 64.32 H new ATOM 0 HB3 GLU A 593 5.574 -9.469 -6.338 1.00 64.32 H new ATOM 0 HG2 GLU A 593 3.838 -11.253 -6.400 1.00 52.35 H new ATOM 0 HG3 GLU A 593 3.020 -10.376 -7.678 1.00 52.35 H new ATOM 1429 N PRO A 594 2.719 -9.732 -3.759 1.00 51.11 N ATOM 1430 CA PRO A 594 2.676 -10.523 -2.560 1.00 50.54 C ATOM 1431 C PRO A 594 3.069 -11.965 -2.855 1.00 14.41 C ATOM 1432 O PRO A 594 2.781 -12.499 -3.920 1.00 12.12 O ATOM 1433 CB PRO A 594 1.221 -10.419 -2.108 1.00 24.23 C ATOM 1434 CG PRO A 594 0.457 -10.163 -3.351 1.00 61.33 C ATOM 1435 CD PRO A 594 1.374 -9.416 -4.273 1.00 20.04 C ATOM 0 HA PRO A 594 3.372 -10.180 -1.794 1.00 50.54 H new ATOM 0 HB2 PRO A 594 0.891 -11.337 -1.623 1.00 24.23 H new ATOM 0 HB3 PRO A 594 1.087 -9.612 -1.388 1.00 24.23 H new ATOM 0 HG2 PRO A 594 0.130 -11.099 -3.804 1.00 61.33 H new ATOM 0 HG3 PRO A 594 -0.440 -9.580 -3.141 1.00 61.33 H new ATOM 0 HD2 PRO A 594 1.254 -9.740 -5.307 1.00 20.04 H new ATOM 0 HD3 PRO A 594 1.178 -8.344 -4.251 1.00 20.04 H new ATOM 1443 N ARG A 595 3.702 -12.590 -1.922 1.00 74.04 N ATOM 1444 CA ARG A 595 4.190 -13.916 -2.130 1.00 62.13 C ATOM 1445 C ARG A 595 3.728 -14.801 -1.023 1.00 53.25 C ATOM 1446 O ARG A 595 3.777 -14.416 0.153 1.00 31.51 O ATOM 1447 CB ARG A 595 5.727 -13.937 -2.260 1.00 41.02 C ATOM 1448 CG ARG A 595 6.475 -13.293 -1.107 1.00 24.15 C ATOM 1449 CD ARG A 595 7.977 -13.427 -1.274 1.00 72.21 C ATOM 1450 NE ARG A 595 8.722 -12.690 -0.235 1.00 11.42 N ATOM 1451 CZ ARG A 595 9.661 -13.217 0.574 1.00 2.45 C ATOM 1452 NH1 ARG A 595 9.888 -14.533 0.587 1.00 61.21 N ATOM 1453 NH2 ARG A 595 10.337 -12.420 1.396 1.00 73.44 N ATOM 0 H ARG A 595 3.896 -12.202 -0.999 1.00 74.04 H new ATOM 0 HA ARG A 595 3.787 -14.292 -3.070 1.00 62.13 H new ATOM 0 HB2 ARG A 595 6.055 -14.972 -2.354 1.00 41.02 H new ATOM 0 HB3 ARG A 595 6.006 -13.430 -3.183 1.00 41.02 H new ATOM 0 HG2 ARG A 595 6.208 -12.238 -1.043 1.00 24.15 H new ATOM 0 HG3 ARG A 595 6.169 -13.757 -0.169 1.00 24.15 H new ATOM 0 HD2 ARG A 595 8.252 -14.481 -1.237 1.00 72.21 H new ATOM 0 HD3 ARG A 595 8.266 -13.056 -2.258 1.00 72.21 H new ATOM 0 HE ARG A 595 8.508 -11.699 -0.120 1.00 11.42 H new ATOM 0 HH11 ARG A 595 9.348 -15.150 -0.020 1.00 61.21 H new ATOM 0 HH12 ARG A 595 10.602 -14.921 1.204 1.00 61.21 H new ATOM 0 HH21 ARG A 595 10.143 -11.419 1.410 1.00 73.44 H new ATOM 0 HH22 ARG A 595 11.050 -12.810 2.012 1.00 73.44 H new ATOM 1467 N LEU A 596 3.237 -15.953 -1.378 1.00 30.44 N ATOM 1468 CA LEU A 596 2.793 -16.902 -0.407 1.00 62.24 C ATOM 1469 C LEU A 596 4.055 -17.466 0.192 1.00 54.00 C ATOM 1470 O LEU A 596 4.962 -17.842 -0.553 1.00 5.22 O ATOM 1471 CB LEU A 596 2.026 -18.040 -1.097 1.00 14.31 C ATOM 1472 CG LEU A 596 0.800 -18.628 -0.366 1.00 22.05 C ATOM 1473 CD1 LEU A 596 1.058 -18.883 1.113 1.00 3.22 C ATOM 1474 CD2 LEU A 596 -0.427 -17.762 -0.586 1.00 2.13 C ATOM 0 H LEU A 596 3.135 -16.257 -2.346 1.00 30.44 H new ATOM 0 HA LEU A 596 2.136 -16.446 0.333 1.00 62.24 H new ATOM 0 HB2 LEU A 596 1.694 -17.678 -2.070 1.00 14.31 H new ATOM 0 HB3 LEU A 596 2.728 -18.853 -1.282 1.00 14.31 H new ATOM 0 HG LEU A 596 0.606 -19.606 -0.806 1.00 22.05 H new ATOM 0 HD11 LEU A 596 0.160 -19.296 1.573 1.00 3.22 H new ATOM 0 HD12 LEU A 596 1.880 -19.590 1.222 1.00 3.22 H new ATOM 0 HD13 LEU A 596 1.319 -17.945 1.604 1.00 3.22 H new ATOM 0 HD21 LEU A 596 -1.278 -18.197 -0.061 1.00 2.13 H new ATOM 0 HD22 LEU A 596 -0.238 -16.759 -0.203 1.00 2.13 H new ATOM 0 HD23 LEU A 596 -0.647 -17.707 -1.652 1.00 2.13 H new ATOM 1486 N VAL A 597 4.143 -17.532 1.495 1.00 11.33 N ATOM 1487 CA VAL A 597 5.344 -18.046 2.128 1.00 62.21 C ATOM 1488 C VAL A 597 5.336 -19.565 2.145 1.00 73.12 C ATOM 1489 O VAL A 597 5.143 -20.201 3.180 1.00 34.41 O ATOM 1490 CB VAL A 597 5.562 -17.504 3.542 1.00 14.25 C ATOM 1491 CG1 VAL A 597 6.927 -17.931 4.110 1.00 41.22 C ATOM 1492 CG2 VAL A 597 5.412 -16.006 3.578 1.00 1.10 C ATOM 0 H VAL A 597 3.408 -17.241 2.140 1.00 11.33 H new ATOM 0 HA VAL A 597 6.179 -17.693 1.523 1.00 62.21 H new ATOM 0 HB VAL A 597 4.790 -17.938 4.178 1.00 14.25 H new ATOM 0 HG11 VAL A 597 7.045 -17.527 5.115 1.00 41.22 H new ATOM 0 HG12 VAL A 597 6.981 -19.019 4.147 1.00 41.22 H new ATOM 0 HG13 VAL A 597 7.723 -17.550 3.470 1.00 41.22 H new ATOM 0 HG21 VAL A 597 5.572 -15.649 4.595 1.00 1.10 H new ATOM 0 HG22 VAL A 597 6.146 -15.551 2.914 1.00 1.10 H new ATOM 0 HG23 VAL A 597 4.409 -15.733 3.251 1.00 1.10 H new ATOM 2055 N ARG A 633 0.474 -17.150 -7.610 1.00 12.14 N ATOM 2056 CA ARG A 633 0.896 -16.204 -6.600 1.00 44.32 C ATOM 2057 C ARG A 633 -0.288 -15.353 -6.178 1.00 72.21 C ATOM 2058 O ARG A 633 -1.185 -15.117 -6.981 1.00 12.33 O ATOM 2059 CB ARG A 633 1.998 -15.292 -7.168 1.00 61.20 C ATOM 2060 CG ARG A 633 3.196 -16.050 -7.712 1.00 35.32 C ATOM 2061 CD ARG A 633 4.232 -15.125 -8.325 1.00 42.41 C ATOM 2062 NE ARG A 633 5.353 -15.889 -8.917 1.00 1.02 N ATOM 2063 CZ ARG A 633 6.467 -15.362 -9.462 1.00 22.52 C ATOM 2064 NH1 ARG A 633 6.732 -14.070 -9.354 1.00 42.52 N ATOM 2065 NH2 ARG A 633 7.343 -16.156 -10.062 1.00 35.33 N ATOM 0 HA ARG A 633 1.284 -16.749 -5.739 1.00 44.32 H new ATOM 0 HB2 ARG A 633 1.575 -14.678 -7.964 1.00 61.20 H new ATOM 0 HB3 ARG A 633 2.334 -14.612 -6.385 1.00 61.20 H new ATOM 0 HG2 ARG A 633 3.656 -16.625 -6.908 1.00 35.32 H new ATOM 0 HG3 ARG A 633 2.860 -16.765 -8.463 1.00 35.32 H new ATOM 0 HD2 ARG A 633 3.764 -14.509 -9.093 1.00 42.41 H new ATOM 0 HD3 ARG A 633 4.614 -14.447 -7.562 1.00 42.41 H new ATOM 0 HE ARG A 633 5.275 -16.906 -8.912 1.00 1.02 H new ATOM 0 HH11 ARG A 633 6.089 -13.458 -8.852 1.00 42.52 H new ATOM 0 HH12 ARG A 633 7.580 -13.687 -9.772 1.00 42.52 H new ATOM 0 HH21 ARG A 633 7.172 -17.160 -10.109 1.00 35.33 H new ATOM 0 HH22 ARG A 633 8.188 -15.762 -10.476 1.00 35.33 H new ATOM 2079 N PRO A 634 -0.355 -14.947 -4.895 1.00 62.41 N ATOM 2080 CA PRO A 634 -1.359 -13.996 -4.449 1.00 40.05 C ATOM 2081 C PRO A 634 -1.185 -12.677 -5.204 1.00 54.21 C ATOM 2082 O PRO A 634 -0.069 -12.296 -5.529 1.00 23.05 O ATOM 2083 CB PRO A 634 -1.074 -13.797 -2.955 1.00 12.34 C ATOM 2084 CG PRO A 634 0.251 -14.432 -2.694 1.00 61.24 C ATOM 2085 CD PRO A 634 0.513 -15.405 -3.805 1.00 61.20 C ATOM 0 HA PRO A 634 -2.377 -14.343 -4.627 1.00 40.05 H new ATOM 0 HB2 PRO A 634 -1.054 -12.737 -2.701 1.00 12.34 H new ATOM 0 HB3 PRO A 634 -1.852 -14.257 -2.346 1.00 12.34 H new ATOM 0 HG2 PRO A 634 1.036 -13.677 -2.653 1.00 61.24 H new ATOM 0 HG3 PRO A 634 0.248 -14.942 -1.731 1.00 61.24 H new ATOM 0 HD2 PRO A 634 1.562 -15.398 -4.101 1.00 61.20 H new ATOM 0 HD3 PRO A 634 0.273 -16.425 -3.506 1.00 61.20 H new ATOM 2093 N ILE A 635 -2.262 -11.997 -5.503 1.00 1.13 N ATOM 2094 CA ILE A 635 -2.153 -10.782 -6.276 1.00 12.42 C ATOM 2095 C ILE A 635 -2.750 -9.560 -5.597 1.00 64.32 C ATOM 2096 O ILE A 635 -3.337 -9.654 -4.516 1.00 12.12 O ATOM 2097 CB ILE A 635 -2.632 -10.935 -7.765 1.00 10.21 C ATOM 2098 CG1 ILE A 635 -4.041 -11.566 -7.913 1.00 74.43 C ATOM 2099 CG2 ILE A 635 -1.622 -11.737 -8.558 1.00 73.21 C ATOM 2100 CD1 ILE A 635 -5.197 -10.725 -7.420 1.00 20.34 C ATOM 0 H ILE A 635 -3.210 -12.256 -5.230 1.00 1.13 H new ATOM 0 HA ILE A 635 -1.080 -10.595 -6.324 1.00 12.42 H new ATOM 0 HB ILE A 635 -2.709 -9.922 -8.161 1.00 10.21 H new ATOM 0 HG12 ILE A 635 -4.207 -11.795 -8.966 1.00 74.43 H new ATOM 0 HG13 ILE A 635 -4.051 -12.514 -7.375 1.00 74.43 H new ATOM 0 HG21 ILE A 635 -1.964 -11.837 -9.588 1.00 73.21 H new ATOM 0 HG22 ILE A 635 -0.659 -11.226 -8.543 1.00 73.21 H new ATOM 0 HG23 ILE A 635 -1.514 -12.727 -8.114 1.00 73.21 H new ATOM 0 HD11 ILE A 635 -6.131 -11.265 -7.573 1.00 20.34 H new ATOM 0 HD12 ILE A 635 -5.068 -10.517 -6.358 1.00 20.34 H new ATOM 0 HD13 ILE A 635 -5.226 -9.786 -7.973 1.00 20.34 H new ATOM 2112 N LEU A 636 -2.583 -8.433 -6.253 1.00 51.00 N ATOM 2113 CA LEU A 636 -2.997 -7.132 -5.777 1.00 54.34 C ATOM 2114 C LEU A 636 -4.517 -6.975 -5.735 1.00 42.44 C ATOM 2115 O LEU A 636 -5.251 -7.694 -6.408 1.00 51.00 O ATOM 2116 CB LEU A 636 -2.438 -6.092 -6.725 1.00 75.35 C ATOM 2117 CG LEU A 636 -2.693 -4.649 -6.361 1.00 74.24 C ATOM 2118 CD1 LEU A 636 -1.875 -4.248 -5.156 1.00 32.35 C ATOM 2119 CD2 LEU A 636 -2.411 -3.773 -7.529 1.00 40.21 C ATOM 0 H LEU A 636 -2.137 -8.397 -7.170 1.00 51.00 H new ATOM 0 HA LEU A 636 -2.625 -7.011 -4.759 1.00 54.34 H new ATOM 0 HB2 LEU A 636 -1.361 -6.241 -6.799 1.00 75.35 H new ATOM 0 HB3 LEU A 636 -2.854 -6.274 -7.716 1.00 75.35 H new ATOM 0 HG LEU A 636 -3.743 -4.531 -6.094 1.00 74.24 H new ATOM 0 HD11 LEU A 636 -2.075 -3.205 -4.912 1.00 32.35 H new ATOM 0 HD12 LEU A 636 -2.144 -4.877 -4.308 1.00 32.35 H new ATOM 0 HD13 LEU A 636 -0.815 -4.372 -5.378 1.00 32.35 H new ATOM 0 HD21 LEU A 636 -2.597 -2.734 -7.258 1.00 40.21 H new ATOM 0 HD22 LEU A 636 -1.369 -3.889 -7.827 1.00 40.21 H new ATOM 0 HD23 LEU A 636 -3.059 -4.053 -8.359 1.00 40.21 H new ATOM 2131 N GLY A 637 -4.966 -6.032 -4.929 1.00 64.22 N ATOM 2132 CA GLY A 637 -6.344 -5.661 -4.901 1.00 41.34 C ATOM 2133 C GLY A 637 -6.628 -4.676 -6.013 1.00 65.45 C ATOM 2134 O GLY A 637 -6.752 -5.055 -7.188 1.00 63.01 O ATOM 0 H GLY A 637 -4.377 -5.510 -4.281 1.00 64.22 H new ATOM 0 HA2 GLY A 637 -6.971 -6.545 -5.016 1.00 41.34 H new ATOM 0 HA3 GLY A 637 -6.592 -5.217 -3.937 1.00 41.34 H new ATOM 2138 N GLU A 638 -6.684 -3.414 -5.679 1.00 64.51 N ATOM 2139 CA GLU A 638 -6.897 -2.421 -6.686 1.00 54.05 C ATOM 2140 C GLU A 638 -5.831 -1.352 -6.648 1.00 33.34 C ATOM 2141 O GLU A 638 -4.938 -1.342 -7.486 1.00 50.11 O ATOM 2142 CB GLU A 638 -8.296 -1.824 -6.609 1.00 54.32 C ATOM 2143 CG GLU A 638 -8.612 -0.863 -7.739 1.00 44.13 C ATOM 2144 CD GLU A 638 -10.032 -0.400 -7.711 1.00 54.20 C ATOM 2145 OE1 GLU A 638 -10.924 -1.194 -8.071 1.00 15.23 O ATOM 2146 OE2 GLU A 638 -10.292 0.747 -7.328 1.00 73.45 O ATOM 0 H GLU A 638 -6.586 -3.057 -4.729 1.00 64.51 H new ATOM 0 HA GLU A 638 -6.818 -2.923 -7.651 1.00 54.05 H new ATOM 0 HB2 GLU A 638 -9.027 -2.632 -6.616 1.00 54.32 H new ATOM 0 HB3 GLU A 638 -8.407 -1.302 -5.658 1.00 54.32 H new ATOM 0 HG2 GLU A 638 -7.950 0.000 -7.674 1.00 44.13 H new ATOM 0 HG3 GLU A 638 -8.410 -1.349 -8.693 1.00 44.13 H new ATOM 2153 N HIS A 639 -5.868 -0.495 -5.671 1.00 13.34 N ATOM 2154 CA HIS A 639 -4.948 0.602 -5.683 1.00 33.33 C ATOM 2155 C HIS A 639 -3.847 0.461 -4.667 1.00 1.44 C ATOM 2156 O HIS A 639 -4.084 0.418 -3.450 1.00 32.30 O ATOM 2157 CB HIS A 639 -5.645 1.995 -5.599 1.00 13.43 C ATOM 2158 CG HIS A 639 -6.455 2.274 -4.357 1.00 24.11 C ATOM 2159 ND1 HIS A 639 -6.075 3.167 -3.373 1.00 1.25 N ATOM 2160 CD2 HIS A 639 -7.669 1.807 -3.983 1.00 63.11 C ATOM 2161 CE1 HIS A 639 -7.045 3.211 -2.462 1.00 31.03 C ATOM 2162 NE2 HIS A 639 -8.039 2.402 -2.785 1.00 41.11 N ATOM 0 H HIS A 639 -6.506 -0.531 -4.876 1.00 13.34 H new ATOM 0 HA HIS A 639 -4.473 0.558 -6.663 1.00 33.33 H new ATOM 0 HB2 HIS A 639 -4.878 2.765 -5.685 1.00 13.43 H new ATOM 0 HB3 HIS A 639 -6.301 2.100 -6.463 1.00 13.43 H new ATOM 0 HD2 HIS A 639 -8.257 1.085 -4.530 1.00 63.11 H new ATOM 0 HE1 HIS A 639 -7.023 3.827 -1.575 1.00 31.03 H new ATOM 0 HE2 HIS A 639 -8.901 2.247 -2.262 1.00 41.11 H new ATOM 2170 N THR A 640 -2.653 0.318 -5.163 1.00 64.14 N ATOM 2171 CA THR A 640 -1.518 0.400 -4.330 1.00 45.33 C ATOM 2172 C THR A 640 -0.823 1.700 -4.605 1.00 51.31 C ATOM 2173 O THR A 640 0.002 1.816 -5.523 1.00 33.23 O ATOM 2174 CB THR A 640 -0.531 -0.788 -4.448 1.00 13.25 C ATOM 2175 OG1 THR A 640 0.712 -0.440 -3.829 1.00 0.14 O ATOM 2176 CG2 THR A 640 -0.273 -1.200 -5.879 1.00 75.10 C ATOM 0 H THR A 640 -2.453 0.143 -6.148 1.00 64.14 H new ATOM 0 HA THR A 640 -1.876 0.349 -3.302 1.00 45.33 H new ATOM 0 HB THR A 640 -0.993 -1.637 -3.944 1.00 13.25 H new ATOM 0 HG1 THR A 640 1.432 -0.488 -4.492 1.00 0.14 H new ATOM 0 HG21 THR A 640 0.426 -2.036 -5.896 1.00 75.10 H new ATOM 0 HG22 THR A 640 -1.211 -1.501 -6.346 1.00 75.10 H new ATOM 0 HG23 THR A 640 0.152 -0.360 -6.428 1.00 75.10 H new ATOM 2184 N LYS A 641 -1.196 2.670 -3.859 1.00 73.14 N ATOM 2185 CA LYS A 641 -0.644 3.975 -3.937 1.00 52.45 C ATOM 2186 C LYS A 641 -1.213 4.723 -2.784 1.00 52.23 C ATOM 2187 O LYS A 641 -2.431 4.800 -2.625 1.00 40.10 O ATOM 2188 CB LYS A 641 -1.012 4.669 -5.278 1.00 31.23 C ATOM 2189 CG LYS A 641 -0.153 5.894 -5.646 1.00 33.25 C ATOM 2190 CD LYS A 641 -0.376 7.090 -4.739 1.00 15.51 C ATOM 2191 CE LYS A 641 0.497 8.263 -5.152 1.00 0.01 C ATOM 2192 NZ LYS A 641 0.241 8.689 -6.546 1.00 34.04 N ATOM 0 H LYS A 641 -1.922 2.577 -3.149 1.00 73.14 H new ATOM 0 HA LYS A 641 0.445 3.943 -3.902 1.00 52.45 H new ATOM 0 HB2 LYS A 641 -0.932 3.936 -6.081 1.00 31.23 H new ATOM 0 HB3 LYS A 641 -2.056 4.979 -5.232 1.00 31.23 H new ATOM 0 HG2 LYS A 641 0.899 5.613 -5.610 1.00 33.25 H new ATOM 0 HG3 LYS A 641 -0.370 6.183 -6.674 1.00 33.25 H new ATOM 0 HD2 LYS A 641 -1.425 7.384 -4.772 1.00 15.51 H new ATOM 0 HD3 LYS A 641 -0.155 6.814 -3.708 1.00 15.51 H new ATOM 0 HE2 LYS A 641 0.317 9.102 -4.479 1.00 0.01 H new ATOM 0 HE3 LYS A 641 1.546 7.988 -5.045 1.00 0.01 H new ATOM 0 HZ1 LYS A 641 0.643 9.636 -6.699 1.00 34.04 H new ATOM 0 HZ2 LYS A 641 0.684 8.014 -7.202 1.00 34.04 H new ATOM 0 HZ3 LYS A 641 -0.784 8.717 -6.718 1.00 34.04 H new ATOM 2206 N LEU A 642 -0.358 5.204 -1.976 1.00 54.15 N ATOM 2207 CA LEU A 642 -0.729 5.959 -0.843 1.00 31.11 C ATOM 2208 C LEU A 642 0.077 7.223 -0.842 1.00 13.31 C ATOM 2209 O LEU A 642 1.296 7.181 -0.723 1.00 1.24 O ATOM 2210 CB LEU A 642 -0.433 5.176 0.410 1.00 33.42 C ATOM 2211 CG LEU A 642 -0.721 5.888 1.708 1.00 12.13 C ATOM 2212 CD1 LEU A 642 -2.215 6.026 1.949 1.00 24.15 C ATOM 2213 CD2 LEU A 642 -0.035 5.198 2.848 1.00 21.42 C ATOM 0 H LEU A 642 0.649 5.083 -2.083 1.00 54.15 H new ATOM 0 HA LEU A 642 -1.795 6.185 -0.874 1.00 31.11 H new ATOM 0 HB2 LEU A 642 -1.013 4.254 0.386 1.00 33.42 H new ATOM 0 HB3 LEU A 642 0.619 4.891 0.399 1.00 33.42 H new ATOM 0 HG LEU A 642 -0.319 6.899 1.638 1.00 12.13 H new ATOM 0 HD11 LEU A 642 -2.385 6.544 2.893 1.00 24.15 H new ATOM 0 HD12 LEU A 642 -2.663 6.597 1.136 1.00 24.15 H new ATOM 0 HD13 LEU A 642 -2.670 5.036 1.991 1.00 24.15 H new ATOM 0 HD21 LEU A 642 -0.254 5.725 3.777 1.00 21.42 H new ATOM 0 HD22 LEU A 642 -0.393 4.171 2.920 1.00 21.42 H new ATOM 0 HD23 LEU A 642 1.041 5.195 2.677 1.00 21.42 H new ATOM 2225 N GLU A 643 -0.577 8.310 -1.027 1.00 23.34 N ATOM 2226 CA GLU A 643 0.050 9.587 -1.035 1.00 13.41 C ATOM 2227 C GLU A 643 -0.077 10.167 0.366 1.00 61.12 C ATOM 2228 O GLU A 643 -1.169 10.535 0.808 1.00 23.14 O ATOM 2229 CB GLU A 643 -0.650 10.448 -2.070 1.00 31.20 C ATOM 2230 CG GLU A 643 0.040 11.736 -2.431 1.00 23.15 C ATOM 2231 CD GLU A 643 -0.662 12.422 -3.571 1.00 31.25 C ATOM 2232 OE1 GLU A 643 -0.521 11.971 -4.735 1.00 53.32 O ATOM 2233 OE2 GLU A 643 -1.381 13.402 -3.345 1.00 30.41 O ATOM 0 H GLU A 643 -1.585 8.342 -1.181 1.00 23.34 H new ATOM 0 HA GLU A 643 1.107 9.532 -1.297 1.00 13.41 H new ATOM 0 HB2 GLU A 643 -0.776 9.859 -2.979 1.00 31.20 H new ATOM 0 HB3 GLU A 643 -1.648 10.684 -1.702 1.00 31.20 H new ATOM 0 HG2 GLU A 643 0.063 12.396 -1.564 1.00 23.15 H new ATOM 0 HG3 GLU A 643 1.075 11.534 -2.706 1.00 23.15 H new ATOM 2240 N VAL A 644 0.999 10.151 1.094 1.00 35.32 N ATOM 2241 CA VAL A 644 0.987 10.631 2.446 1.00 32.52 C ATOM 2242 C VAL A 644 1.428 12.058 2.472 1.00 52.33 C ATOM 2243 O VAL A 644 2.596 12.331 2.254 1.00 23.42 O ATOM 2244 CB VAL A 644 1.962 9.830 3.321 1.00 62.21 C ATOM 2245 CG1 VAL A 644 1.838 10.239 4.779 1.00 12.41 C ATOM 2246 CG2 VAL A 644 1.755 8.341 3.138 1.00 2.12 C ATOM 0 H VAL A 644 1.904 9.808 0.772 1.00 35.32 H new ATOM 0 HA VAL A 644 -0.028 10.524 2.830 1.00 32.52 H new ATOM 0 HB VAL A 644 2.978 10.059 3.001 1.00 62.21 H new ATOM 0 HG11 VAL A 644 2.538 9.659 5.380 1.00 12.41 H new ATOM 0 HG12 VAL A 644 2.066 11.300 4.880 1.00 12.41 H new ATOM 0 HG13 VAL A 644 0.821 10.052 5.124 1.00 12.41 H new ATOM 0 HG21 VAL A 644 2.458 7.796 3.768 1.00 2.12 H new ATOM 0 HG22 VAL A 644 0.735 8.078 3.420 1.00 2.12 H new ATOM 0 HG23 VAL A 644 1.923 8.076 2.094 1.00 2.12 H new ATOM 2256 N ILE A 645 0.525 12.964 2.685 1.00 72.21 N ATOM 2257 CA ILE A 645 0.902 14.337 2.820 1.00 63.01 C ATOM 2258 C ILE A 645 1.210 14.608 4.277 1.00 61.12 C ATOM 2259 O ILE A 645 0.353 14.425 5.159 1.00 23.31 O ATOM 2260 CB ILE A 645 -0.153 15.354 2.255 1.00 42.23 C ATOM 2261 CG1 ILE A 645 -0.295 15.223 0.720 1.00 22.21 C ATOM 2262 CG2 ILE A 645 0.201 16.793 2.628 1.00 65.13 C ATOM 2263 CD1 ILE A 645 -1.161 14.074 0.249 1.00 32.31 C ATOM 0 H ILE A 645 -0.475 12.779 2.769 1.00 72.21 H new ATOM 0 HA ILE A 645 1.787 14.498 2.205 1.00 63.01 H new ATOM 0 HB ILE A 645 -1.111 15.107 2.713 1.00 42.23 H new ATOM 0 HG12 ILE A 645 -0.708 16.153 0.329 1.00 22.21 H new ATOM 0 HG13 ILE A 645 0.699 15.109 0.288 1.00 22.21 H new ATOM 0 HG21 ILE A 645 -0.550 17.470 2.221 1.00 65.13 H new ATOM 0 HG22 ILE A 645 0.228 16.891 3.713 1.00 65.13 H new ATOM 0 HG23 ILE A 645 1.178 17.046 2.216 1.00 65.13 H new ATOM 0 HD11 ILE A 645 -1.197 14.068 -0.840 1.00 32.31 H new ATOM 0 HD12 ILE A 645 -0.741 13.133 0.603 1.00 32.31 H new ATOM 0 HD13 ILE A 645 -2.170 14.193 0.645 1.00 32.31 H new ATOM 2275 N ILE A 646 2.434 14.984 4.533 1.00 63.04 N ATOM 2276 CA ILE A 646 2.886 15.214 5.867 1.00 24.11 C ATOM 2277 C ILE A 646 2.870 16.695 6.075 1.00 73.00 C ATOM 2278 O ILE A 646 3.701 17.423 5.514 1.00 14.15 O ATOM 2279 CB ILE A 646 4.346 14.683 6.131 1.00 30.42 C ATOM 2280 CG1 ILE A 646 4.566 13.262 5.611 1.00 61.14 C ATOM 2281 CG2 ILE A 646 4.672 14.715 7.602 1.00 5.43 C ATOM 2282 CD1 ILE A 646 4.798 13.182 4.130 1.00 2.11 C ATOM 0 H ILE A 646 3.143 15.138 3.816 1.00 63.04 H new ATOM 0 HA ILE A 646 2.232 14.676 6.553 1.00 24.11 H new ATOM 0 HB ILE A 646 5.009 15.352 5.582 1.00 30.42 H new ATOM 0 HG12 ILE A 646 5.422 12.826 6.126 1.00 61.14 H new ATOM 0 HG13 ILE A 646 3.697 12.655 5.866 1.00 61.14 H new ATOM 0 HG21 ILE A 646 5.685 14.344 7.758 1.00 5.43 H new ATOM 0 HG22 ILE A 646 4.600 15.739 7.968 1.00 5.43 H new ATOM 0 HG23 ILE A 646 3.967 14.085 8.145 1.00 5.43 H new ATOM 0 HD11 ILE A 646 4.945 12.142 3.840 1.00 2.11 H new ATOM 0 HD12 ILE A 646 3.933 13.586 3.604 1.00 2.11 H new ATOM 0 HD13 ILE A 646 5.684 13.760 3.869 1.00 2.11 H new ATOM 2294 N GLU A 647 1.940 17.138 6.833 1.00 13.40 N ATOM 2295 CA GLU A 647 1.770 18.527 7.065 1.00 32.24 C ATOM 2296 C GLU A 647 2.287 18.910 8.428 1.00 63.04 C ATOM 2297 O GLU A 647 2.092 18.185 9.419 1.00 43.10 O ATOM 2298 CB GLU A 647 0.314 18.940 6.815 1.00 41.52 C ATOM 2299 CG GLU A 647 -0.721 18.041 7.473 1.00 50.23 C ATOM 2300 CD GLU A 647 -2.115 18.359 7.018 1.00 74.14 C ATOM 2301 OE1 GLU A 647 -2.523 17.881 5.942 1.00 13.44 O ATOM 2302 OE2 GLU A 647 -2.842 19.103 7.715 1.00 21.22 O ATOM 0 H GLU A 647 1.267 16.544 7.316 1.00 13.40 H new ATOM 0 HA GLU A 647 2.371 19.090 6.351 1.00 32.24 H new ATOM 0 HB2 GLU A 647 0.172 19.959 7.175 1.00 41.52 H new ATOM 0 HB3 GLU A 647 0.133 18.954 5.740 1.00 41.52 H new ATOM 0 HG2 GLU A 647 -0.494 17.000 7.244 1.00 50.23 H new ATOM 0 HG3 GLU A 647 -0.660 18.150 8.556 1.00 50.23 H new ATOM 2309 N GLU A 648 2.995 20.012 8.472 1.00 55.24 N ATOM 2310 CA GLU A 648 3.610 20.482 9.684 1.00 14.25 C ATOM 2311 C GLU A 648 2.523 20.897 10.647 1.00 64.11 C ATOM 2312 O GLU A 648 1.497 21.453 10.226 1.00 11.54 O ATOM 2313 CB GLU A 648 4.593 21.606 9.376 1.00 73.12 C ATOM 2314 CG GLU A 648 5.465 21.270 8.170 1.00 52.44 C ATOM 2315 CD GLU A 648 6.719 22.075 8.070 1.00 13.13 C ATOM 2316 OE1 GLU A 648 6.664 23.297 7.995 1.00 61.21 O ATOM 2317 OE2 GLU A 648 7.825 21.454 8.094 1.00 3.15 O ATOM 0 H GLU A 648 3.160 20.610 7.662 1.00 55.24 H new ATOM 0 HA GLU A 648 4.191 19.689 10.155 1.00 14.25 H new ATOM 0 HB2 GLU A 648 4.045 22.528 9.184 1.00 73.12 H new ATOM 0 HB3 GLU A 648 5.226 21.786 10.245 1.00 73.12 H new ATOM 0 HG2 GLU A 648 5.729 20.213 8.211 1.00 52.44 H new ATOM 0 HG3 GLU A 648 4.880 21.417 7.262 1.00 52.44 H new ATOM 2324 N SER A 649 2.727 20.621 11.912 1.00 64.04 N ATOM 2325 CA SER A 649 1.686 20.762 12.884 1.00 54.54 C ATOM 2326 C SER A 649 1.381 22.212 13.266 1.00 64.54 C ATOM 2327 O SER A 649 1.929 22.770 14.231 1.00 4.03 O ATOM 2328 CB SER A 649 1.942 19.877 14.107 1.00 74.21 C ATOM 2329 OG SER A 649 0.833 19.864 14.986 1.00 51.22 O ATOM 0 H SER A 649 3.617 20.294 12.289 1.00 64.04 H new ATOM 0 HA SER A 649 0.776 20.407 12.401 1.00 54.54 H new ATOM 0 HB2 SER A 649 2.160 18.860 13.781 1.00 74.21 H new ATOM 0 HB3 SER A 649 2.823 20.237 14.638 1.00 74.21 H new ATOM 0 HG SER A 649 1.031 19.288 15.754 1.00 51.22 H new