USER MOD reduce.3.24.130724 H: found=0, std=0, add=781, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 782 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 539 TYR OH : rot -29:sc= 0.982 USER MOD Set 1.2: A 556 THR OG1 : rot 171:sc= 0.972 USER MOD Set 2.1: A 545 THR OG1 : rot 180:sc= 1.27 USER MOD Set 2.2: A 586 SER OG : rot -33:sc= 0.735 USER MOD Set 3.1: A 506 THR OG1 : rot 24:sc= 1.15 USER MOD Set 3.2: A 639 THR OG1 : rot -57:sc= 1.7 USER MOD Single : A 512 THR OG1 : rot 180:sc= 0 USER MOD Single : A 513 HIS : no HD1:sc= -1.26 K(o=-1.3,f=-0.39) USER MOD Single : A 515 SER OG : rot 180:sc= 0 USER MOD Single : A 517 SER OG : rot -94:sc= 1.36 USER MOD Single : A 521 MET CE :methyl 148:sc= -0.15 (180deg=-2.69) USER MOD Single : A 524 LYS NZ :NH3+ -162:sc= -0.965 (180deg=-1.11) USER MOD Single : A 528 THR OG1 : rot 180:sc= -0.559 USER MOD Single : A 529 SER OG : rot 180:sc= -0.683 USER MOD Single : A 534 ASN : amide:sc= 0.134 K(o=0.13,f=-0.84) USER MOD Single : A 540 LYS NZ :NH3+ -178:sc= 0.988 (180deg=0.963) USER MOD Single : A 541 THR OG1 : rot 42:sc= 0.305 USER MOD Single : A 557 CYS SG : rot 180:sc= 0 USER MOD Single : A 563 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 564 ASN : amide:sc= -0.449 K(o=-0.45,f=-6.3!) USER MOD Single : A 569 LYS NZ :NH3+ -154:sc= -0.133 (180deg=-0.696) USER MOD Single : A 572 THR OG1 : rot 46:sc= 0.266 USER MOD Single : A 585 CYS SG : rot -149:sc= 1.14 USER MOD Single : A 588 SER OG : rot 180:sc= -0.54 USER MOD Single : A 595 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 638 HIS : no HD1:sc= -1.16 X(o=-1.2,f=-1.5) USER MOD Single : A 640 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 28 N GLY A 503 4.057 -1.805 -5.605 1.00 10.04 N ATOM 29 CA GLY A 503 4.345 -2.694 -6.686 1.00 32.32 C ATOM 30 C GLY A 503 3.369 -3.833 -6.730 1.00 11.22 C ATOM 31 O GLY A 503 3.523 -4.795 -5.996 1.00 22.11 O ATOM 0 HA2 GLY A 503 4.312 -2.147 -7.628 1.00 32.32 H new ATOM 0 HA3 GLY A 503 5.357 -3.084 -6.579 1.00 32.32 H new ATOM 35 N ILE A 504 2.340 -3.689 -7.537 1.00 22.13 N ATOM 36 CA ILE A 504 1.343 -4.733 -7.734 1.00 75.22 C ATOM 37 C ILE A 504 1.462 -5.202 -9.162 1.00 20.41 C ATOM 38 O ILE A 504 1.202 -4.431 -10.091 1.00 40.14 O ATOM 39 CB ILE A 504 -0.104 -4.216 -7.526 1.00 23.33 C ATOM 40 CG1 ILE A 504 -0.266 -3.563 -6.155 1.00 33.44 C ATOM 41 CG2 ILE A 504 -1.108 -5.373 -7.683 1.00 32.32 C ATOM 42 CD1 ILE A 504 -1.628 -2.936 -5.949 1.00 51.35 C ATOM 0 H ILE A 504 2.166 -2.843 -8.080 1.00 22.13 H new ATOM 0 HA ILE A 504 1.525 -5.525 -7.008 1.00 75.22 H new ATOM 0 HB ILE A 504 -0.305 -3.461 -8.286 1.00 23.33 H new ATOM 0 HG12 ILE A 504 -0.097 -4.312 -5.381 1.00 33.44 H new ATOM 0 HG13 ILE A 504 0.501 -2.798 -6.031 1.00 33.44 H new ATOM 0 HG21 ILE A 504 -2.121 -4.998 -7.535 1.00 32.32 H new ATOM 0 HG22 ILE A 504 -1.021 -5.797 -8.683 1.00 32.32 H new ATOM 0 HG23 ILE A 504 -0.894 -6.143 -6.942 1.00 32.32 H new ATOM 0 HD11 ILE A 504 -1.677 -2.490 -4.956 1.00 51.35 H new ATOM 0 HD12 ILE A 504 -1.791 -2.164 -6.702 1.00 51.35 H new ATOM 0 HD13 ILE A 504 -2.399 -3.701 -6.041 1.00 51.35 H new ATOM 54 N PHE A 505 1.854 -6.426 -9.342 1.00 62.21 N ATOM 55 CA PHE A 505 2.092 -6.954 -10.666 1.00 13.14 C ATOM 56 C PHE A 505 1.033 -7.981 -11.044 1.00 33.23 C ATOM 57 O PHE A 505 0.606 -8.784 -10.207 1.00 43.33 O ATOM 58 CB PHE A 505 3.492 -7.570 -10.719 1.00 25.04 C ATOM 59 CG PHE A 505 4.561 -6.625 -10.244 1.00 44.13 C ATOM 60 CD1 PHE A 505 5.023 -5.611 -11.062 1.00 71.21 C ATOM 61 CD2 PHE A 505 5.076 -6.735 -8.961 1.00 1.30 C ATOM 62 CE1 PHE A 505 5.984 -4.728 -10.611 1.00 21.23 C ATOM 63 CE2 PHE A 505 6.032 -5.854 -8.504 1.00 74.24 C ATOM 64 CZ PHE A 505 6.488 -4.849 -9.330 1.00 73.33 C ATOM 0 H PHE A 505 2.019 -7.090 -8.586 1.00 62.21 H new ATOM 0 HA PHE A 505 2.030 -6.141 -11.390 1.00 13.14 H new ATOM 0 HB2 PHE A 505 3.511 -8.471 -10.106 1.00 25.04 H new ATOM 0 HB3 PHE A 505 3.711 -7.875 -11.742 1.00 25.04 H new ATOM 0 HD1 PHE A 505 4.629 -5.509 -12.062 1.00 71.21 H new ATOM 0 HD2 PHE A 505 4.723 -7.522 -8.311 1.00 1.30 H new ATOM 0 HE1 PHE A 505 6.342 -3.942 -11.260 1.00 21.23 H new ATOM 0 HE2 PHE A 505 6.423 -5.951 -7.502 1.00 74.24 H new ATOM 0 HZ PHE A 505 7.238 -4.157 -8.976 1.00 73.33 H new ATOM 74 N THR A 506 0.572 -7.917 -12.267 1.00 11.44 N ATOM 75 CA THR A 506 -0.396 -8.853 -12.763 1.00 50.24 C ATOM 76 C THR A 506 -0.191 -9.070 -14.284 1.00 50.12 C ATOM 77 O THR A 506 0.538 -8.319 -14.930 1.00 52.15 O ATOM 78 CB THR A 506 -1.854 -8.372 -12.446 1.00 2.12 C ATOM 79 OG1 THR A 506 -2.809 -9.409 -12.747 1.00 43.32 O ATOM 80 CG2 THR A 506 -2.208 -7.108 -13.233 1.00 51.41 C ATOM 0 H THR A 506 0.860 -7.212 -12.946 1.00 11.44 H new ATOM 0 HA THR A 506 -0.252 -9.808 -12.258 1.00 50.24 H new ATOM 0 HB THR A 506 -1.896 -8.142 -11.381 1.00 2.12 H new ATOM 0 HG1 THR A 506 -2.364 -10.282 -12.721 1.00 43.32 H new ATOM 0 HG21 THR A 506 -3.225 -6.801 -12.990 1.00 51.41 H new ATOM 0 HG22 THR A 506 -1.515 -6.309 -12.969 1.00 51.41 H new ATOM 0 HG23 THR A 506 -2.136 -7.312 -14.301 1.00 51.41 H new ATOM 88 N PHE A 507 -0.805 -10.101 -14.823 1.00 20.25 N ATOM 89 CA PHE A 507 -0.764 -10.402 -16.247 1.00 44.42 C ATOM 90 C PHE A 507 -1.739 -9.510 -17.005 1.00 11.21 C ATOM 91 O PHE A 507 -2.692 -8.983 -16.410 1.00 14.51 O ATOM 92 CB PHE A 507 -1.113 -11.875 -16.466 1.00 10.31 C ATOM 93 CG PHE A 507 -0.084 -12.812 -15.914 1.00 23.35 C ATOM 94 CD1 PHE A 507 1.148 -12.936 -16.526 1.00 54.10 C ATOM 95 CD2 PHE A 507 -0.341 -13.562 -14.787 1.00 21.34 C ATOM 96 CE1 PHE A 507 2.101 -13.794 -16.029 1.00 13.33 C ATOM 97 CE2 PHE A 507 0.606 -14.422 -14.281 1.00 50.45 C ATOM 98 CZ PHE A 507 1.829 -14.540 -14.905 1.00 72.44 C ATOM 0 H PHE A 507 -1.356 -10.766 -14.281 1.00 20.25 H new ATOM 0 HA PHE A 507 0.240 -10.211 -16.625 1.00 44.42 H new ATOM 0 HB2 PHE A 507 -2.075 -12.087 -16.000 1.00 10.31 H new ATOM 0 HB3 PHE A 507 -1.228 -12.060 -17.534 1.00 10.31 H new ATOM 0 HD1 PHE A 507 1.366 -12.351 -17.407 1.00 54.10 H new ATOM 0 HD2 PHE A 507 -1.298 -13.474 -14.295 1.00 21.34 H new ATOM 0 HE1 PHE A 507 3.059 -13.882 -16.519 1.00 13.33 H new ATOM 0 HE2 PHE A 507 0.391 -15.003 -13.397 1.00 50.45 H new ATOM 0 HZ PHE A 507 2.573 -15.217 -14.512 1.00 72.44 H new ATOM 108 N GLU A 508 -1.504 -9.334 -18.302 1.00 2.01 N ATOM 109 CA GLU A 508 -2.371 -8.523 -19.159 1.00 3.23 C ATOM 110 C GLU A 508 -3.762 -9.133 -19.197 1.00 32.23 C ATOM 111 O GLU A 508 -4.772 -8.462 -18.962 1.00 20.40 O ATOM 112 CB GLU A 508 -1.810 -8.458 -20.589 1.00 12.31 C ATOM 113 CG GLU A 508 -0.431 -7.830 -20.703 1.00 63.43 C ATOM 114 CD GLU A 508 0.098 -7.850 -22.115 1.00 63.02 C ATOM 115 OE1 GLU A 508 -0.336 -7.022 -22.930 1.00 2.03 O ATOM 116 OE2 GLU A 508 0.944 -8.711 -22.452 1.00 52.34 O ATOM 0 H GLU A 508 -0.710 -9.747 -18.790 1.00 2.01 H new ATOM 0 HA GLU A 508 -2.417 -7.514 -18.750 1.00 3.23 H new ATOM 0 HB2 GLU A 508 -1.768 -9.469 -20.995 1.00 12.31 H new ATOM 0 HB3 GLU A 508 -2.504 -7.893 -21.211 1.00 12.31 H new ATOM 0 HG2 GLU A 508 -0.474 -6.800 -20.349 1.00 63.43 H new ATOM 0 HG3 GLU A 508 0.262 -8.362 -20.051 1.00 63.43 H new ATOM 123 N GLU A 509 -3.795 -10.397 -19.471 1.00 1.15 N ATOM 124 CA GLU A 509 -4.999 -11.169 -19.543 1.00 12.44 C ATOM 125 C GLU A 509 -4.767 -12.488 -18.844 1.00 75.22 C ATOM 126 O GLU A 509 -3.630 -12.949 -18.788 1.00 53.13 O ATOM 127 CB GLU A 509 -5.401 -11.396 -21.000 1.00 21.42 C ATOM 128 CG GLU A 509 -5.913 -10.147 -21.690 1.00 2.14 C ATOM 129 CD GLU A 509 -6.252 -10.386 -23.125 1.00 23.52 C ATOM 130 OE1 GLU A 509 -7.171 -11.161 -23.405 1.00 74.34 O ATOM 131 OE2 GLU A 509 -5.610 -9.782 -24.011 1.00 42.22 O ATOM 0 H GLU A 509 -2.954 -10.943 -19.658 1.00 1.15 H new ATOM 0 HA GLU A 509 -5.812 -10.633 -19.054 1.00 12.44 H new ATOM 0 HB2 GLU A 509 -4.541 -11.778 -21.550 1.00 21.42 H new ATOM 0 HB3 GLU A 509 -6.172 -12.165 -21.040 1.00 21.42 H new ATOM 0 HG2 GLU A 509 -6.797 -9.783 -21.167 1.00 2.14 H new ATOM 0 HG3 GLU A 509 -5.158 -9.364 -21.624 1.00 2.14 H new ATOM 138 N PRO A 510 -5.815 -13.102 -18.277 1.00 60.20 N ATOM 139 CA PRO A 510 -5.681 -14.376 -17.570 1.00 2.42 C ATOM 140 C PRO A 510 -5.479 -15.560 -18.524 1.00 22.12 C ATOM 141 O PRO A 510 -4.949 -16.592 -18.141 1.00 25.32 O ATOM 142 CB PRO A 510 -7.008 -14.508 -16.815 1.00 41.25 C ATOM 143 CG PRO A 510 -7.986 -13.715 -17.615 1.00 34.51 C ATOM 144 CD PRO A 510 -7.207 -12.590 -18.243 1.00 10.30 C ATOM 0 HA PRO A 510 -4.806 -14.389 -16.921 1.00 2.42 H new ATOM 0 HB2 PRO A 510 -7.316 -15.551 -16.736 1.00 41.25 H new ATOM 0 HB3 PRO A 510 -6.924 -14.123 -15.799 1.00 41.25 H new ATOM 0 HG2 PRO A 510 -8.457 -14.335 -18.378 1.00 34.51 H new ATOM 0 HG3 PRO A 510 -8.784 -13.329 -16.981 1.00 34.51 H new ATOM 0 HD2 PRO A 510 -7.573 -12.359 -19.243 1.00 10.30 H new ATOM 0 HD3 PRO A 510 -7.283 -11.674 -17.657 1.00 10.30 H new ATOM 152 N VAL A 511 -5.892 -15.402 -19.766 1.00 14.43 N ATOM 153 CA VAL A 511 -5.776 -16.453 -20.755 1.00 12.11 C ATOM 154 C VAL A 511 -5.311 -15.869 -22.082 1.00 25.35 C ATOM 155 O VAL A 511 -5.836 -14.848 -22.531 1.00 55.20 O ATOM 156 CB VAL A 511 -7.133 -17.210 -20.964 1.00 23.01 C ATOM 157 CG1 VAL A 511 -7.014 -18.221 -22.075 1.00 74.21 C ATOM 158 CG2 VAL A 511 -7.562 -17.923 -19.698 1.00 1.35 C ATOM 0 H VAL A 511 -6.316 -14.543 -20.117 1.00 14.43 H new ATOM 0 HA VAL A 511 -5.043 -17.171 -20.387 1.00 12.11 H new ATOM 0 HB VAL A 511 -7.883 -16.463 -21.227 1.00 23.01 H new ATOM 0 HG11 VAL A 511 -7.967 -18.735 -22.203 1.00 74.21 H new ATOM 0 HG12 VAL A 511 -6.748 -17.713 -23.002 1.00 74.21 H new ATOM 0 HG13 VAL A 511 -6.241 -18.947 -21.825 1.00 74.21 H new ATOM 0 HG21 VAL A 511 -8.506 -18.439 -19.873 1.00 1.35 H new ATOM 0 HG22 VAL A 511 -6.800 -18.648 -19.413 1.00 1.35 H new ATOM 0 HG23 VAL A 511 -7.689 -17.196 -18.896 1.00 1.35 H new ATOM 168 N THR A 512 -4.322 -16.481 -22.675 1.00 22.14 N ATOM 169 CA THR A 512 -3.849 -16.073 -23.966 1.00 42.42 C ATOM 170 C THR A 512 -3.669 -17.302 -24.867 1.00 35.53 C ATOM 171 O THR A 512 -3.256 -18.382 -24.406 1.00 63.52 O ATOM 172 CB THR A 512 -2.543 -15.200 -23.893 1.00 44.35 C ATOM 173 OG1 THR A 512 -2.191 -14.706 -25.192 1.00 53.44 O ATOM 174 CG2 THR A 512 -1.365 -15.978 -23.327 1.00 54.33 C ATOM 0 H THR A 512 -3.823 -17.276 -22.276 1.00 22.14 H new ATOM 0 HA THR A 512 -4.606 -15.424 -24.406 1.00 42.42 H new ATOM 0 HB THR A 512 -2.762 -14.368 -23.224 1.00 44.35 H new ATOM 0 HG1 THR A 512 -1.377 -14.164 -25.126 1.00 53.44 H new ATOM 0 HG21 THR A 512 -0.486 -15.335 -23.296 1.00 54.33 H new ATOM 0 HG22 THR A 512 -1.603 -16.316 -22.319 1.00 54.33 H new ATOM 0 HG23 THR A 512 -1.161 -16.841 -23.961 1.00 54.33 H new ATOM 182 N HIS A 513 -4.016 -17.154 -26.114 1.00 40.21 N ATOM 183 CA HIS A 513 -3.908 -18.225 -27.082 1.00 1.13 C ATOM 184 C HIS A 513 -2.855 -17.850 -28.087 1.00 12.53 C ATOM 185 O HIS A 513 -2.981 -16.826 -28.776 1.00 43.42 O ATOM 186 CB HIS A 513 -5.250 -18.460 -27.794 1.00 11.02 C ATOM 187 CG HIS A 513 -6.359 -18.910 -26.897 1.00 12.34 C ATOM 188 ND1 HIS A 513 -7.245 -18.059 -26.283 1.00 14.43 N ATOM 189 CD2 HIS A 513 -6.723 -20.154 -26.524 1.00 3.24 C ATOM 190 CE1 HIS A 513 -8.090 -18.786 -25.568 1.00 32.33 C ATOM 191 NE2 HIS A 513 -7.819 -20.079 -25.682 1.00 2.01 N ATOM 0 H HIS A 513 -4.385 -16.284 -26.497 1.00 40.21 H new ATOM 0 HA HIS A 513 -3.635 -19.148 -26.571 1.00 1.13 H new ATOM 0 HB2 HIS A 513 -5.551 -17.536 -28.288 1.00 11.02 H new ATOM 0 HB3 HIS A 513 -5.106 -19.206 -28.575 1.00 11.02 H new ATOM 0 HD2 HIS A 513 -6.235 -21.066 -26.834 1.00 3.24 H new ATOM 0 HE1 HIS A 513 -8.893 -18.380 -24.971 1.00 32.33 H new ATOM 0 HE2 HIS A 513 -8.314 -20.855 -25.242 1.00 2.01 H new ATOM 199 N VAL A 514 -1.832 -18.643 -28.187 1.00 72.13 N ATOM 200 CA VAL A 514 -0.737 -18.339 -29.059 1.00 60.12 C ATOM 201 C VAL A 514 -0.590 -19.395 -30.136 1.00 42.23 C ATOM 202 O VAL A 514 -1.029 -20.539 -29.979 1.00 2.34 O ATOM 203 CB VAL A 514 0.610 -18.163 -28.290 1.00 23.35 C ATOM 204 CG1 VAL A 514 0.546 -16.973 -27.340 1.00 34.13 C ATOM 205 CG2 VAL A 514 0.976 -19.427 -27.524 1.00 42.11 C ATOM 0 H VAL A 514 -1.732 -19.516 -27.669 1.00 72.13 H new ATOM 0 HA VAL A 514 -0.972 -17.383 -29.528 1.00 60.12 H new ATOM 0 HB VAL A 514 1.387 -17.974 -29.031 1.00 23.35 H new ATOM 0 HG11 VAL A 514 1.497 -16.873 -26.817 1.00 34.13 H new ATOM 0 HG12 VAL A 514 0.347 -16.064 -27.908 1.00 34.13 H new ATOM 0 HG13 VAL A 514 -0.252 -17.129 -26.614 1.00 34.13 H new ATOM 0 HG21 VAL A 514 1.919 -19.274 -26.999 1.00 42.11 H new ATOM 0 HG22 VAL A 514 0.191 -19.655 -26.803 1.00 42.11 H new ATOM 0 HG23 VAL A 514 1.080 -20.258 -28.222 1.00 42.11 H new ATOM 215 N SER A 515 -0.008 -19.009 -31.213 1.00 43.24 N ATOM 216 CA SER A 515 0.246 -19.888 -32.302 1.00 54.33 C ATOM 217 C SER A 515 1.533 -20.679 -32.057 1.00 73.14 C ATOM 218 O SER A 515 2.378 -20.261 -31.284 1.00 61.40 O ATOM 219 CB SER A 515 0.345 -19.056 -33.571 1.00 33.22 C ATOM 220 OG SER A 515 -0.905 -18.423 -33.842 1.00 1.05 O ATOM 0 H SER A 515 0.313 -18.053 -31.368 1.00 43.24 H new ATOM 0 HA SER A 515 -0.564 -20.610 -32.404 1.00 54.33 H new ATOM 0 HB2 SER A 515 1.126 -18.304 -33.462 1.00 33.22 H new ATOM 0 HB3 SER A 515 0.629 -19.691 -34.410 1.00 33.22 H new ATOM 0 HG SER A 515 -0.830 -17.888 -34.660 1.00 1.05 H new ATOM 226 N GLU A 516 1.666 -21.817 -32.699 1.00 72.30 N ATOM 227 CA GLU A 516 2.874 -22.623 -32.580 1.00 54.34 C ATOM 228 C GLU A 516 4.047 -21.979 -33.315 1.00 44.32 C ATOM 229 O GLU A 516 5.171 -21.966 -32.842 1.00 73.13 O ATOM 230 CB GLU A 516 2.635 -24.101 -33.027 1.00 53.14 C ATOM 231 CG GLU A 516 1.593 -24.331 -34.155 1.00 32.11 C ATOM 232 CD GLU A 516 1.847 -23.566 -35.440 1.00 52.23 C ATOM 233 OE1 GLU A 516 1.396 -22.400 -35.540 1.00 52.44 O ATOM 234 OE2 GLU A 516 2.472 -24.101 -36.373 1.00 43.44 O ATOM 0 H GLU A 516 0.954 -22.212 -33.313 1.00 72.30 H new ATOM 0 HA GLU A 516 3.140 -22.659 -31.524 1.00 54.34 H new ATOM 0 HB2 GLU A 516 3.588 -24.515 -33.355 1.00 53.14 H new ATOM 0 HB3 GLU A 516 2.323 -24.674 -32.154 1.00 53.14 H new ATOM 0 HG2 GLU A 516 1.562 -25.396 -34.386 1.00 32.11 H new ATOM 0 HG3 GLU A 516 0.608 -24.057 -33.778 1.00 32.11 H new ATOM 241 N SER A 517 3.737 -21.349 -34.405 1.00 12.44 N ATOM 242 CA SER A 517 4.704 -20.758 -35.284 1.00 23.23 C ATOM 243 C SER A 517 5.013 -19.308 -34.910 1.00 71.42 C ATOM 244 O SER A 517 5.471 -18.519 -35.735 1.00 70.44 O ATOM 245 CB SER A 517 4.164 -20.870 -36.705 1.00 24.43 C ATOM 246 OG SER A 517 2.772 -20.530 -36.738 1.00 2.44 O ATOM 0 H SER A 517 2.774 -21.227 -34.720 1.00 12.44 H new ATOM 0 HA SER A 517 5.652 -21.289 -35.198 1.00 23.23 H new ATOM 0 HB2 SER A 517 4.723 -20.208 -37.366 1.00 24.43 H new ATOM 0 HB3 SER A 517 4.306 -21.885 -37.076 1.00 24.43 H new ATOM 0 HG SER A 517 2.234 -21.345 -36.656 1.00 2.44 H new ATOM 252 N ILE A 518 4.800 -18.963 -33.663 1.00 41.01 N ATOM 253 CA ILE A 518 5.053 -17.612 -33.224 1.00 13.04 C ATOM 254 C ILE A 518 6.527 -17.446 -32.811 1.00 65.24 C ATOM 255 O ILE A 518 7.088 -16.351 -32.868 1.00 53.21 O ATOM 256 CB ILE A 518 4.108 -17.205 -32.064 1.00 21.30 C ATOM 257 CG1 ILE A 518 4.243 -15.708 -31.767 1.00 20.02 C ATOM 258 CG2 ILE A 518 4.364 -18.050 -30.818 1.00 52.12 C ATOM 259 CD1 ILE A 518 3.494 -15.241 -30.552 1.00 13.33 C ATOM 0 H ILE A 518 4.455 -19.593 -32.939 1.00 41.01 H new ATOM 0 HA ILE A 518 4.850 -16.946 -34.062 1.00 13.04 H new ATOM 0 HB ILE A 518 3.081 -17.396 -32.375 1.00 21.30 H new ATOM 0 HG12 ILE A 518 5.299 -15.470 -31.640 1.00 20.02 H new ATOM 0 HG13 ILE A 518 3.891 -15.146 -32.632 1.00 20.02 H new ATOM 0 HG21 ILE A 518 3.686 -17.740 -30.023 1.00 52.12 H new ATOM 0 HG22 ILE A 518 4.195 -19.101 -31.050 1.00 52.12 H new ATOM 0 HG23 ILE A 518 5.394 -17.912 -30.490 1.00 52.12 H new ATOM 0 HD11 ILE A 518 3.647 -14.170 -30.420 1.00 13.33 H new ATOM 0 HD12 ILE A 518 2.431 -15.442 -30.680 1.00 13.33 H new ATOM 0 HD13 ILE A 518 3.860 -15.771 -29.673 1.00 13.33 H new ATOM 271 N GLY A 519 7.150 -18.541 -32.417 1.00 0.23 N ATOM 272 CA GLY A 519 8.527 -18.492 -32.004 1.00 3.33 C ATOM 273 C GLY A 519 8.667 -18.115 -30.548 1.00 13.55 C ATOM 274 O GLY A 519 8.972 -18.947 -29.700 1.00 31.31 O ATOM 0 H GLY A 519 6.722 -19.466 -32.377 1.00 0.23 H new ATOM 0 HA2 GLY A 519 8.991 -19.464 -32.173 1.00 3.33 H new ATOM 0 HA3 GLY A 519 9.065 -17.770 -32.619 1.00 3.33 H new ATOM 278 N ILE A 520 8.404 -16.877 -30.250 1.00 4.15 N ATOM 279 CA ILE A 520 8.517 -16.362 -28.906 1.00 23.53 C ATOM 280 C ILE A 520 7.238 -15.620 -28.631 1.00 50.34 C ATOM 281 O ILE A 520 6.723 -14.954 -29.524 1.00 34.41 O ATOM 282 CB ILE A 520 9.722 -15.359 -28.762 1.00 55.21 C ATOM 283 CG1 ILE A 520 11.071 -15.992 -29.186 1.00 41.11 C ATOM 284 CG2 ILE A 520 9.821 -14.811 -27.339 1.00 60.02 C ATOM 285 CD1 ILE A 520 11.515 -17.173 -28.341 1.00 0.02 C ATOM 0 H ILE A 520 8.102 -16.185 -30.935 1.00 4.15 H new ATOM 0 HA ILE A 520 8.690 -17.182 -28.210 1.00 23.53 H new ATOM 0 HB ILE A 520 9.517 -14.533 -29.443 1.00 55.21 H new ATOM 0 HG12 ILE A 520 10.994 -16.315 -30.224 1.00 41.11 H new ATOM 0 HG13 ILE A 520 11.844 -15.225 -29.147 1.00 41.11 H new ATOM 0 HG21 ILE A 520 10.663 -14.122 -27.272 1.00 60.02 H new ATOM 0 HG22 ILE A 520 8.900 -14.285 -27.087 1.00 60.02 H new ATOM 0 HG23 ILE A 520 9.971 -15.635 -26.641 1.00 60.02 H new ATOM 0 HD11 ILE A 520 12.468 -17.549 -28.713 1.00 0.02 H new ATOM 0 HD12 ILE A 520 11.630 -16.856 -27.304 1.00 0.02 H new ATOM 0 HD13 ILE A 520 10.766 -17.963 -28.398 1.00 0.02 H new ATOM 297 N MET A 521 6.695 -15.768 -27.464 1.00 65.32 N ATOM 298 CA MET A 521 5.502 -15.048 -27.121 1.00 61.23 C ATOM 299 C MET A 521 5.826 -14.032 -26.043 1.00 35.20 C ATOM 300 O MET A 521 6.733 -14.256 -25.229 1.00 70.43 O ATOM 301 CB MET A 521 4.370 -16.019 -26.734 1.00 60.23 C ATOM 302 CG MET A 521 4.673 -16.917 -25.552 1.00 44.21 C ATOM 303 SD MET A 521 4.431 -16.131 -23.955 1.00 1.45 S ATOM 304 CE MET A 521 2.663 -15.877 -23.956 1.00 20.21 C ATOM 0 H MET A 521 7.055 -16.379 -26.731 1.00 65.32 H new ATOM 0 HA MET A 521 5.131 -14.496 -27.985 1.00 61.23 H new ATOM 0 HB2 MET A 521 3.475 -15.439 -26.510 1.00 60.23 H new ATOM 0 HB3 MET A 521 4.137 -16.644 -27.596 1.00 60.23 H new ATOM 0 HG2 MET A 521 4.039 -17.802 -25.609 1.00 44.21 H new ATOM 0 HG3 MET A 521 5.705 -17.259 -25.624 1.00 44.21 H new ATOM 0 HE1 MET A 521 2.284 -15.950 -22.936 1.00 20.21 H new ATOM 0 HE2 MET A 521 2.438 -14.889 -24.357 1.00 20.21 H new ATOM 0 HE3 MET A 521 2.187 -16.637 -24.575 1.00 20.21 H new ATOM 314 N GLU A 522 5.126 -12.922 -26.070 1.00 12.35 N ATOM 315 CA GLU A 522 5.375 -11.816 -25.177 1.00 54.01 C ATOM 316 C GLU A 522 4.222 -11.619 -24.214 1.00 12.43 C ATOM 317 O GLU A 522 3.052 -11.569 -24.630 1.00 14.43 O ATOM 318 CB GLU A 522 5.566 -10.493 -25.953 1.00 64.13 C ATOM 319 CG GLU A 522 6.810 -10.380 -26.824 1.00 4.24 C ATOM 320 CD GLU A 522 6.790 -11.258 -28.039 1.00 34.10 C ATOM 321 OE1 GLU A 522 5.917 -11.055 -28.930 1.00 33.11 O ATOM 322 OE2 GLU A 522 7.665 -12.105 -28.168 1.00 23.33 O ATOM 0 H GLU A 522 4.358 -12.760 -26.721 1.00 12.35 H new ATOM 0 HA GLU A 522 6.286 -12.063 -24.631 1.00 54.01 H new ATOM 0 HB2 GLU A 522 4.693 -10.342 -26.587 1.00 64.13 H new ATOM 0 HB3 GLU A 522 5.581 -9.676 -25.232 1.00 64.13 H new ATOM 0 HG2 GLU A 522 6.926 -9.343 -27.140 1.00 4.24 H new ATOM 0 HG3 GLU A 522 7.685 -10.630 -26.223 1.00 4.24 H new ATOM 329 N VAL A 523 4.545 -11.515 -22.951 1.00 41.42 N ATOM 330 CA VAL A 523 3.571 -11.197 -21.915 1.00 2.31 C ATOM 331 C VAL A 523 4.064 -10.002 -21.171 1.00 14.41 C ATOM 332 O VAL A 523 5.181 -10.023 -20.674 1.00 55.43 O ATOM 333 CB VAL A 523 3.444 -12.322 -20.869 1.00 50.54 C ATOM 334 CG1 VAL A 523 2.336 -12.022 -19.872 1.00 33.23 C ATOM 335 CG2 VAL A 523 3.231 -13.643 -21.515 1.00 20.33 C ATOM 0 H VAL A 523 5.494 -11.648 -22.601 1.00 41.42 H new ATOM 0 HA VAL A 523 2.609 -11.043 -22.404 1.00 2.31 H new ATOM 0 HB VAL A 523 4.386 -12.367 -20.323 1.00 50.54 H new ATOM 0 HG11 VAL A 523 2.270 -12.833 -19.147 1.00 33.23 H new ATOM 0 HG12 VAL A 523 2.556 -11.089 -19.354 1.00 33.23 H new ATOM 0 HG13 VAL A 523 1.387 -11.929 -20.400 1.00 33.23 H new ATOM 0 HG21 VAL A 523 3.146 -14.413 -20.749 1.00 20.33 H new ATOM 0 HG22 VAL A 523 2.315 -13.616 -22.106 1.00 20.33 H new ATOM 0 HG23 VAL A 523 4.076 -13.870 -22.165 1.00 20.33 H new ATOM 345 N LYS A 524 3.292 -8.975 -21.095 1.00 1.42 N ATOM 346 CA LYS A 524 3.689 -7.869 -20.283 1.00 4.53 C ATOM 347 C LYS A 524 3.146 -8.049 -18.897 1.00 61.44 C ATOM 348 O LYS A 524 1.973 -8.375 -18.710 1.00 4.31 O ATOM 349 CB LYS A 524 3.234 -6.515 -20.816 1.00 11.34 C ATOM 350 CG LYS A 524 3.783 -6.116 -22.164 1.00 24.43 C ATOM 351 CD LYS A 524 3.594 -4.628 -22.359 1.00 23.15 C ATOM 352 CE LYS A 524 3.998 -4.136 -23.735 1.00 61.11 C ATOM 353 NZ LYS A 524 5.380 -4.462 -24.120 1.00 4.23 N ATOM 0 H LYS A 524 2.397 -8.873 -21.574 1.00 1.42 H new ATOM 0 HA LYS A 524 4.779 -7.862 -20.290 1.00 4.53 H new ATOM 0 HB2 LYS A 524 2.146 -6.517 -20.875 1.00 11.34 H new ATOM 0 HB3 LYS A 524 3.512 -5.750 -20.092 1.00 11.34 H new ATOM 0 HG2 LYS A 524 4.841 -6.372 -22.229 1.00 24.43 H new ATOM 0 HG3 LYS A 524 3.273 -6.666 -22.955 1.00 24.43 H new ATOM 0 HD2 LYS A 524 2.547 -4.378 -22.187 1.00 23.15 H new ATOM 0 HD3 LYS A 524 4.176 -4.095 -21.607 1.00 23.15 H new ATOM 0 HE2 LYS A 524 3.319 -4.563 -24.473 1.00 61.11 H new ATOM 0 HE3 LYS A 524 3.870 -3.054 -23.772 1.00 61.11 H new ATOM 0 HZ1 LYS A 524 5.674 -3.851 -24.908 1.00 4.23 H new ATOM 0 HZ2 LYS A 524 6.012 -4.308 -23.308 1.00 4.23 H new ATOM 0 HZ3 LYS A 524 5.432 -5.458 -24.416 1.00 4.23 H new ATOM 367 N VAL A 525 3.984 -7.887 -17.936 1.00 54.52 N ATOM 368 CA VAL A 525 3.539 -7.913 -16.586 1.00 64.25 C ATOM 369 C VAL A 525 3.212 -6.499 -16.206 1.00 3.25 C ATOM 370 O VAL A 525 4.096 -5.635 -16.121 1.00 13.25 O ATOM 371 CB VAL A 525 4.567 -8.555 -15.630 1.00 40.00 C ATOM 372 CG1 VAL A 525 4.105 -8.459 -14.184 1.00 64.00 C ATOM 373 CG2 VAL A 525 4.757 -10.006 -16.006 1.00 3.30 C ATOM 0 H VAL A 525 4.985 -7.734 -18.058 1.00 54.52 H new ATOM 0 HA VAL A 525 2.656 -8.545 -16.497 1.00 64.25 H new ATOM 0 HB VAL A 525 5.510 -8.017 -15.722 1.00 40.00 H new ATOM 0 HG11 VAL A 525 4.848 -8.919 -13.533 1.00 64.00 H new ATOM 0 HG12 VAL A 525 3.982 -7.411 -13.910 1.00 64.00 H new ATOM 0 HG13 VAL A 525 3.153 -8.978 -14.071 1.00 64.00 H new ATOM 0 HG21 VAL A 525 5.482 -10.464 -15.334 1.00 3.30 H new ATOM 0 HG22 VAL A 525 3.805 -10.531 -15.925 1.00 3.30 H new ATOM 0 HG23 VAL A 525 5.121 -10.072 -17.031 1.00 3.30 H new ATOM 383 N LEU A 526 1.953 -6.258 -16.053 1.00 1.02 N ATOM 384 CA LEU A 526 1.452 -4.953 -15.812 1.00 74.21 C ATOM 385 C LEU A 526 1.464 -4.658 -14.342 1.00 63.34 C ATOM 386 O LEU A 526 1.216 -5.532 -13.509 1.00 42.11 O ATOM 387 CB LEU A 526 0.027 -4.818 -16.362 1.00 14.34 C ATOM 388 CG LEU A 526 -0.164 -5.117 -17.858 1.00 71.04 C ATOM 389 CD1 LEU A 526 -1.619 -4.957 -18.245 1.00 72.15 C ATOM 390 CD2 LEU A 526 0.712 -4.215 -18.715 1.00 11.10 C ATOM 0 H LEU A 526 1.232 -6.979 -16.093 1.00 1.02 H new ATOM 0 HA LEU A 526 2.094 -4.235 -16.323 1.00 74.21 H new ATOM 0 HB2 LEU A 526 -0.622 -5.486 -15.795 1.00 14.34 H new ATOM 0 HB3 LEU A 526 -0.317 -3.802 -16.171 1.00 14.34 H new ATOM 0 HG LEU A 526 0.138 -6.149 -18.036 1.00 71.04 H new ATOM 0 HD11 LEU A 526 -1.739 -5.172 -19.307 1.00 72.15 H new ATOM 0 HD12 LEU A 526 -2.228 -5.649 -17.664 1.00 72.15 H new ATOM 0 HD13 LEU A 526 -1.939 -3.935 -18.043 1.00 72.15 H new ATOM 0 HD21 LEU A 526 0.555 -4.450 -19.768 1.00 11.10 H new ATOM 0 HD22 LEU A 526 0.450 -3.173 -18.532 1.00 11.10 H new ATOM 0 HD23 LEU A 526 1.759 -4.376 -18.459 1.00 11.10 H new ATOM 402 N ARG A 527 1.757 -3.452 -14.036 1.00 34.10 N ATOM 403 CA ARG A 527 1.763 -2.979 -12.697 1.00 1.13 C ATOM 404 C ARG A 527 0.583 -2.049 -12.506 1.00 50.24 C ATOM 405 O ARG A 527 0.485 -1.043 -13.172 1.00 60.53 O ATOM 406 CB ARG A 527 3.159 -2.368 -12.320 1.00 41.14 C ATOM 407 CG ARG A 527 3.964 -1.698 -13.476 1.00 31.20 C ATOM 408 CD ARG A 527 3.926 -0.163 -13.479 1.00 4.32 C ATOM 409 NE ARG A 527 2.586 0.371 -13.631 1.00 4.51 N ATOM 410 CZ ARG A 527 2.230 1.648 -13.769 1.00 62.12 C ATOM 411 NH1 ARG A 527 3.137 2.596 -13.924 1.00 1.34 N ATOM 412 NH2 ARG A 527 0.948 1.954 -13.797 1.00 24.22 N ATOM 0 H ARG A 527 2.007 -2.743 -14.725 1.00 34.10 H new ATOM 0 HA ARG A 527 1.633 -3.799 -11.991 1.00 1.13 H new ATOM 0 HB2 ARG A 527 3.005 -1.625 -11.537 1.00 41.14 H new ATOM 0 HB3 ARG A 527 3.773 -3.160 -11.892 1.00 41.14 H new ATOM 0 HG2 ARG A 527 5.003 -2.022 -13.412 1.00 31.20 H new ATOM 0 HG3 ARG A 527 3.575 -2.059 -14.428 1.00 31.20 H new ATOM 0 HD2 ARG A 527 4.355 0.207 -12.548 1.00 4.32 H new ATOM 0 HD3 ARG A 527 4.553 0.209 -14.289 1.00 4.32 H new ATOM 0 HE ARG A 527 1.827 -0.311 -13.632 1.00 4.51 H new ATOM 0 HH11 ARG A 527 4.128 2.356 -13.940 1.00 1.34 H new ATOM 0 HH12 ARG A 527 2.846 3.568 -14.028 1.00 1.34 H new ATOM 0 HH21 ARG A 527 0.246 1.219 -13.714 1.00 24.22 H new ATOM 0 HH22 ARG A 527 0.658 2.926 -13.902 1.00 24.22 H new ATOM 426 N THR A 528 -0.368 -2.437 -11.693 1.00 73.12 N ATOM 427 CA THR A 528 -1.552 -1.620 -11.520 1.00 12.04 C ATOM 428 C THR A 528 -1.224 -0.291 -10.838 1.00 33.45 C ATOM 429 O THR A 528 -1.389 0.783 -11.429 1.00 73.43 O ATOM 430 CB THR A 528 -2.673 -2.379 -10.776 1.00 71.13 C ATOM 431 OG1 THR A 528 -2.173 -2.893 -9.537 1.00 14.31 O ATOM 432 CG2 THR A 528 -3.199 -3.529 -11.622 1.00 34.32 C ATOM 0 H THR A 528 -0.351 -3.298 -11.147 1.00 73.12 H new ATOM 0 HA THR A 528 -1.929 -1.390 -12.517 1.00 12.04 H new ATOM 0 HB THR A 528 -3.488 -1.682 -10.583 1.00 71.13 H new ATOM 0 HG1 THR A 528 -2.889 -3.372 -9.069 1.00 14.31 H new ATOM 0 HG21 THR A 528 -3.988 -4.050 -11.079 1.00 34.32 H new ATOM 0 HG22 THR A 528 -3.600 -3.139 -12.558 1.00 34.32 H new ATOM 0 HG23 THR A 528 -2.387 -4.224 -11.837 1.00 34.32 H new ATOM 440 N SER A 529 -0.763 -0.362 -9.611 1.00 31.11 N ATOM 441 CA SER A 529 -0.368 0.813 -8.889 1.00 43.13 C ATOM 442 C SER A 529 0.975 1.361 -9.396 1.00 0.54 C ATOM 443 O SER A 529 1.090 2.542 -9.750 1.00 40.15 O ATOM 444 CB SER A 529 -0.352 0.531 -7.401 1.00 23.44 C ATOM 445 OG SER A 529 -1.639 0.108 -6.980 1.00 33.31 O ATOM 0 H SER A 529 -0.654 -1.233 -9.092 1.00 31.11 H new ATOM 0 HA SER A 529 -1.104 1.597 -9.069 1.00 43.13 H new ATOM 0 HB2 SER A 529 0.386 -0.239 -7.175 1.00 23.44 H new ATOM 0 HB3 SER A 529 -0.056 1.427 -6.855 1.00 23.44 H new ATOM 0 HG SER A 529 -1.624 -0.075 -6.017 1.00 33.31 H new ATOM 451 N GLY A 530 1.976 0.508 -9.450 1.00 41.35 N ATOM 452 CA GLY A 530 3.260 0.920 -9.933 1.00 34.24 C ATOM 453 C GLY A 530 4.352 -0.014 -9.481 1.00 52.43 C ATOM 454 O GLY A 530 4.130 -1.218 -9.384 1.00 14.32 O ATOM 0 H GLY A 530 1.918 -0.470 -9.165 1.00 41.35 H new ATOM 0 HA2 GLY A 530 3.243 0.960 -11.022 1.00 34.24 H new ATOM 0 HA3 GLY A 530 3.475 1.929 -9.580 1.00 34.24 H new ATOM 458 N ALA A 531 5.507 0.554 -9.196 1.00 30.14 N ATOM 459 CA ALA A 531 6.697 -0.145 -8.736 1.00 41.42 C ATOM 460 C ALA A 531 7.633 0.918 -8.203 1.00 13.44 C ATOM 461 O ALA A 531 7.446 2.105 -8.535 1.00 72.22 O ATOM 462 CB ALA A 531 7.363 -0.902 -9.886 1.00 0.51 C ATOM 0 H ALA A 531 5.651 1.560 -9.282 1.00 30.14 H new ATOM 0 HA ALA A 531 6.445 -0.880 -7.971 1.00 41.42 H new ATOM 0 HB1 ALA A 531 8.250 -1.417 -9.517 1.00 0.51 H new ATOM 0 HB2 ALA A 531 6.664 -1.632 -10.294 1.00 0.51 H new ATOM 0 HB3 ALA A 531 7.650 -0.198 -10.667 1.00 0.51 H new ATOM 468 N ARG A 532 8.608 0.549 -7.392 1.00 62.10 N ATOM 469 CA ARG A 532 9.525 1.532 -6.837 1.00 24.22 C ATOM 470 C ARG A 532 10.829 0.872 -6.428 1.00 41.32 C ATOM 471 O ARG A 532 10.823 -0.116 -5.701 1.00 24.22 O ATOM 472 CB ARG A 532 8.904 2.221 -5.603 1.00 12.12 C ATOM 473 CG ARG A 532 9.699 3.420 -5.086 1.00 55.12 C ATOM 474 CD ARG A 532 9.685 4.541 -6.109 1.00 34.33 C ATOM 475 NE ARG A 532 10.472 5.703 -5.712 1.00 13.02 N ATOM 476 CZ ARG A 532 10.539 6.838 -6.418 1.00 40.31 C ATOM 477 NH1 ARG A 532 9.777 6.996 -7.507 1.00 33.24 N ATOM 478 NH2 ARG A 532 11.343 7.820 -6.025 1.00 33.35 N ATOM 0 H ARG A 532 8.786 -0.413 -7.104 1.00 62.10 H new ATOM 0 HA ARG A 532 9.720 2.277 -7.608 1.00 24.22 H new ATOM 0 HB2 ARG A 532 7.895 2.549 -5.854 1.00 12.12 H new ATOM 0 HB3 ARG A 532 8.811 1.489 -4.801 1.00 12.12 H new ATOM 0 HG2 ARG A 532 9.272 3.770 -4.146 1.00 55.12 H new ATOM 0 HG3 ARG A 532 10.726 3.121 -4.877 1.00 55.12 H new ATOM 0 HD2 ARG A 532 10.066 4.161 -7.057 1.00 34.33 H new ATOM 0 HD3 ARG A 532 8.655 4.852 -6.281 1.00 34.33 H new ATOM 0 HE ARG A 532 11.004 5.647 -4.843 1.00 13.02 H new ATOM 0 HH11 ARG A 532 9.145 6.251 -7.799 1.00 33.24 H new ATOM 0 HH12 ARG A 532 9.829 7.861 -8.044 1.00 33.24 H new ATOM 0 HH21 ARG A 532 11.910 7.709 -5.184 1.00 33.35 H new ATOM 0 HH22 ARG A 532 11.393 8.685 -6.564 1.00 33.35 H new ATOM 492 N GLY A 533 11.926 1.393 -6.916 1.00 1.22 N ATOM 493 CA GLY A 533 13.217 0.918 -6.493 1.00 2.14 C ATOM 494 C GLY A 533 13.731 -0.164 -7.385 1.00 25.34 C ATOM 495 O GLY A 533 14.000 0.076 -8.556 1.00 43.22 O ATOM 0 H GLY A 533 11.950 2.145 -7.605 1.00 1.22 H new ATOM 0 HA2 GLY A 533 13.924 1.748 -6.484 1.00 2.14 H new ATOM 0 HA3 GLY A 533 13.150 0.545 -5.471 1.00 2.14 H new ATOM 499 N ASN A 534 13.944 -1.325 -6.832 1.00 4.34 N ATOM 500 CA ASN A 534 14.348 -2.467 -7.609 1.00 41.21 C ATOM 501 C ASN A 534 13.589 -3.675 -7.107 1.00 73.14 C ATOM 502 O ASN A 534 13.770 -4.082 -5.970 1.00 2.43 O ATOM 503 CB ASN A 534 15.854 -2.686 -7.499 1.00 14.13 C ATOM 504 CG ASN A 534 16.373 -3.648 -8.543 1.00 21.02 C ATOM 505 OD1 ASN A 534 16.467 -4.853 -8.323 1.00 25.42 O ATOM 506 ND2 ASN A 534 16.718 -3.109 -9.690 1.00 73.33 N ATOM 0 H ASN A 534 13.843 -1.508 -5.834 1.00 4.34 H new ATOM 0 HA ASN A 534 14.120 -2.301 -8.662 1.00 41.21 H new ATOM 0 HB2 ASN A 534 16.366 -1.730 -7.603 1.00 14.13 H new ATOM 0 HB3 ASN A 534 16.091 -3.068 -6.506 1.00 14.13 H new ATOM 0 HD21 ASN A 534 17.081 -3.696 -10.441 1.00 73.33 H new ATOM 0 HD22 ASN A 534 16.623 -2.103 -9.830 1.00 73.33 H new ATOM 513 N VAL A 535 12.705 -4.207 -7.892 1.00 63.53 N ATOM 514 CA VAL A 535 11.918 -5.347 -7.473 1.00 65.42 C ATOM 515 C VAL A 535 12.108 -6.514 -8.433 1.00 14.40 C ATOM 516 O VAL A 535 11.988 -6.359 -9.648 1.00 73.52 O ATOM 517 CB VAL A 535 10.403 -4.996 -7.394 1.00 44.50 C ATOM 518 CG1 VAL A 535 9.580 -6.197 -6.958 1.00 54.40 C ATOM 519 CG2 VAL A 535 10.154 -3.810 -6.463 1.00 15.33 C ATOM 0 H VAL A 535 12.502 -3.874 -8.835 1.00 63.53 H new ATOM 0 HA VAL A 535 12.266 -5.629 -6.479 1.00 65.42 H new ATOM 0 HB VAL A 535 10.084 -4.712 -8.397 1.00 44.50 H new ATOM 0 HG11 VAL A 535 8.527 -5.919 -6.913 1.00 54.40 H new ATOM 0 HG12 VAL A 535 9.711 -7.007 -7.675 1.00 54.40 H new ATOM 0 HG13 VAL A 535 9.911 -6.527 -5.973 1.00 54.40 H new ATOM 0 HG21 VAL A 535 9.087 -3.591 -6.430 1.00 15.33 H new ATOM 0 HG22 VAL A 535 10.505 -4.054 -5.460 1.00 15.33 H new ATOM 0 HG23 VAL A 535 10.692 -2.938 -6.833 1.00 15.33 H new ATOM 529 N ILE A 536 12.391 -7.670 -7.893 1.00 74.23 N ATOM 530 CA ILE A 536 12.533 -8.864 -8.697 1.00 73.21 C ATOM 531 C ILE A 536 11.226 -9.610 -8.679 1.00 41.51 C ATOM 532 O ILE A 536 10.752 -10.024 -7.610 1.00 60.02 O ATOM 533 CB ILE A 536 13.667 -9.804 -8.195 1.00 53.42 C ATOM 534 CG1 ILE A 536 15.017 -9.086 -8.216 1.00 41.11 C ATOM 535 CG2 ILE A 536 13.730 -11.079 -9.039 1.00 52.04 C ATOM 536 CD1 ILE A 536 15.460 -8.620 -9.582 1.00 2.00 C ATOM 0 H ILE A 536 12.529 -7.815 -6.893 1.00 74.23 H new ATOM 0 HA ILE A 536 12.803 -8.553 -9.706 1.00 73.21 H new ATOM 0 HB ILE A 536 13.441 -10.083 -7.166 1.00 53.42 H new ATOM 0 HG12 ILE A 536 14.965 -8.224 -7.551 1.00 41.11 H new ATOM 0 HG13 ILE A 536 15.776 -9.755 -7.811 1.00 41.11 H new ATOM 0 HG21 ILE A 536 14.530 -11.721 -8.670 1.00 52.04 H new ATOM 0 HG22 ILE A 536 12.779 -11.608 -8.970 1.00 52.04 H new ATOM 0 HG23 ILE A 536 13.926 -10.818 -10.079 1.00 52.04 H new ATOM 0 HD11 ILE A 536 16.426 -8.122 -9.501 1.00 2.00 H new ATOM 0 HD12 ILE A 536 15.549 -9.478 -10.248 1.00 2.00 H new ATOM 0 HD13 ILE A 536 14.725 -7.923 -9.984 1.00 2.00 H new ATOM 548 N VAL A 537 10.644 -9.759 -9.831 1.00 53.04 N ATOM 549 CA VAL A 537 9.380 -10.438 -9.967 1.00 2.52 C ATOM 550 C VAL A 537 9.617 -11.795 -10.610 1.00 5.41 C ATOM 551 O VAL A 537 9.966 -11.882 -11.799 1.00 22.52 O ATOM 552 CB VAL A 537 8.373 -9.623 -10.831 1.00 35.53 C ATOM 553 CG1 VAL A 537 7.013 -10.315 -10.892 1.00 1.33 C ATOM 554 CG2 VAL A 537 8.224 -8.212 -10.287 1.00 71.24 C ATOM 0 H VAL A 537 11.030 -9.413 -10.710 1.00 53.04 H new ATOM 0 HA VAL A 537 8.946 -10.553 -8.974 1.00 2.52 H new ATOM 0 HB VAL A 537 8.770 -9.567 -11.845 1.00 35.53 H new ATOM 0 HG11 VAL A 537 6.331 -9.723 -11.502 1.00 1.33 H new ATOM 0 HG12 VAL A 537 7.128 -11.305 -11.333 1.00 1.33 H new ATOM 0 HG13 VAL A 537 6.608 -10.411 -9.885 1.00 1.33 H new ATOM 0 HG21 VAL A 537 7.517 -7.657 -10.903 1.00 71.24 H new ATOM 0 HG22 VAL A 537 7.857 -8.254 -9.262 1.00 71.24 H new ATOM 0 HG23 VAL A 537 9.192 -7.711 -10.305 1.00 71.24 H new ATOM 564 N PRO A 538 9.520 -12.864 -9.837 1.00 1.34 N ATOM 565 CA PRO A 538 9.658 -14.179 -10.356 1.00 3.20 C ATOM 566 C PRO A 538 8.343 -14.678 -10.935 1.00 12.11 C ATOM 567 O PRO A 538 7.262 -14.172 -10.617 1.00 55.15 O ATOM 568 CB PRO A 538 10.084 -15.027 -9.152 1.00 41.52 C ATOM 569 CG PRO A 538 9.904 -14.162 -7.939 1.00 62.40 C ATOM 570 CD PRO A 538 9.275 -12.874 -8.393 1.00 13.32 C ATOM 0 HA PRO A 538 10.381 -14.226 -11.170 1.00 3.20 H new ATOM 0 HB2 PRO A 538 9.477 -15.930 -9.079 1.00 41.52 H new ATOM 0 HB3 PRO A 538 11.121 -15.347 -9.250 1.00 41.52 H new ATOM 0 HG2 PRO A 538 9.272 -14.659 -7.204 1.00 62.40 H new ATOM 0 HG3 PRO A 538 10.863 -13.972 -7.458 1.00 62.40 H new ATOM 0 HD2 PRO A 538 8.209 -12.846 -8.167 1.00 13.32 H new ATOM 0 HD3 PRO A 538 9.728 -12.012 -7.903 1.00 13.32 H new ATOM 578 N TYR A 539 8.439 -15.645 -11.770 1.00 4.22 N ATOM 579 CA TYR A 539 7.305 -16.244 -12.390 1.00 21.34 C ATOM 580 C TYR A 539 7.691 -17.651 -12.673 1.00 10.13 C ATOM 581 O TYR A 539 8.886 -17.953 -12.643 1.00 61.43 O ATOM 582 CB TYR A 539 6.901 -15.497 -13.699 1.00 2.21 C ATOM 583 CG TYR A 539 7.961 -15.444 -14.808 1.00 3.11 C ATOM 584 CD1 TYR A 539 8.320 -16.583 -15.515 1.00 72.42 C ATOM 585 CD2 TYR A 539 8.584 -14.254 -15.148 1.00 2.25 C ATOM 586 CE1 TYR A 539 9.256 -16.542 -16.506 1.00 25.12 C ATOM 587 CE2 TYR A 539 9.529 -14.211 -16.159 1.00 4.44 C ATOM 588 CZ TYR A 539 9.855 -15.365 -16.831 1.00 14.13 C ATOM 589 OH TYR A 539 10.800 -15.344 -17.821 1.00 54.33 O ATOM 0 H TYR A 539 9.329 -16.056 -12.052 1.00 4.22 H new ATOM 0 HA TYR A 539 6.432 -16.192 -11.739 1.00 21.34 H new ATOM 0 HB2 TYR A 539 6.007 -15.973 -14.103 1.00 2.21 H new ATOM 0 HB3 TYR A 539 6.627 -14.475 -13.439 1.00 2.21 H new ATOM 0 HD1 TYR A 539 7.847 -17.524 -15.275 1.00 72.42 H new ATOM 0 HD2 TYR A 539 8.329 -13.348 -14.618 1.00 2.25 H new ATOM 0 HE1 TYR A 539 9.522 -17.446 -17.034 1.00 25.12 H new ATOM 0 HE2 TYR A 539 10.007 -13.278 -16.418 1.00 4.44 H new ATOM 0 HH TYR A 539 11.252 -16.213 -17.861 1.00 54.33 H new ATOM 599 N LYS A 540 6.751 -18.501 -12.931 1.00 13.10 N ATOM 600 CA LYS A 540 7.076 -19.865 -13.256 1.00 5.33 C ATOM 601 C LYS A 540 6.032 -20.464 -14.166 1.00 4.44 C ATOM 602 O LYS A 540 4.814 -20.329 -13.923 1.00 20.30 O ATOM 603 CB LYS A 540 7.307 -20.704 -11.983 1.00 4.50 C ATOM 604 CG LYS A 540 6.104 -20.832 -11.065 1.00 62.43 C ATOM 605 CD LYS A 540 6.500 -21.391 -9.712 1.00 1.24 C ATOM 606 CE LYS A 540 5.283 -21.625 -8.837 1.00 14.05 C ATOM 607 NZ LYS A 540 5.647 -21.855 -7.418 1.00 51.51 N ATOM 0 H LYS A 540 5.754 -18.284 -12.925 1.00 13.10 H new ATOM 0 HA LYS A 540 8.017 -19.873 -13.806 1.00 5.33 H new ATOM 0 HB2 LYS A 540 7.626 -21.703 -12.279 1.00 4.50 H new ATOM 0 HB3 LYS A 540 8.128 -20.261 -11.420 1.00 4.50 H new ATOM 0 HG2 LYS A 540 5.638 -19.855 -10.935 1.00 62.43 H new ATOM 0 HG3 LYS A 540 5.360 -21.482 -11.526 1.00 62.43 H new ATOM 0 HD2 LYS A 540 7.040 -22.328 -9.847 1.00 1.24 H new ATOM 0 HD3 LYS A 540 7.181 -20.700 -9.215 1.00 1.24 H new ATOM 0 HE2 LYS A 540 4.619 -20.764 -8.904 1.00 14.05 H new ATOM 0 HE3 LYS A 540 4.729 -22.485 -9.212 1.00 14.05 H new ATOM 0 HZ1 LYS A 540 4.787 -22.044 -6.865 1.00 51.51 H new ATOM 0 HZ2 LYS A 540 6.287 -22.672 -7.352 1.00 51.51 H new ATOM 0 HZ3 LYS A 540 6.123 -21.011 -7.040 1.00 51.51 H new ATOM 621 N THR A 541 6.493 -21.044 -15.248 1.00 55.44 N ATOM 622 CA THR A 541 5.625 -21.671 -16.189 1.00 43.12 C ATOM 623 C THR A 541 5.186 -23.035 -15.675 1.00 31.54 C ATOM 624 O THR A 541 6.002 -23.930 -15.477 1.00 74.23 O ATOM 625 CB THR A 541 6.319 -21.801 -17.562 1.00 3.03 C ATOM 626 OG1 THR A 541 7.659 -22.300 -17.385 1.00 52.42 O ATOM 627 CG2 THR A 541 6.370 -20.460 -18.274 1.00 51.23 C ATOM 0 H THR A 541 7.482 -21.089 -15.492 1.00 55.44 H new ATOM 0 HA THR A 541 4.739 -21.049 -16.314 1.00 43.12 H new ATOM 0 HB THR A 541 5.742 -22.497 -18.171 1.00 3.03 H new ATOM 0 HG1 THR A 541 7.657 -23.010 -16.710 1.00 52.42 H new ATOM 0 HG21 THR A 541 6.864 -20.579 -19.239 1.00 51.23 H new ATOM 0 HG22 THR A 541 5.356 -20.091 -18.428 1.00 51.23 H new ATOM 0 HG23 THR A 541 6.927 -19.747 -17.667 1.00 51.23 H new ATOM 635 N ILE A 542 3.915 -23.170 -15.469 1.00 14.44 N ATOM 636 CA ILE A 542 3.305 -24.373 -14.973 1.00 64.22 C ATOM 637 C ILE A 542 2.983 -25.235 -16.167 1.00 51.01 C ATOM 638 O ILE A 542 2.245 -24.802 -17.058 1.00 44.13 O ATOM 639 CB ILE A 542 1.970 -24.054 -14.234 1.00 72.33 C ATOM 640 CG1 ILE A 542 2.167 -22.992 -13.133 1.00 53.21 C ATOM 641 CG2 ILE A 542 1.336 -25.324 -13.657 1.00 14.32 C ATOM 642 CD1 ILE A 542 3.135 -23.387 -12.034 1.00 41.24 C ATOM 0 H ILE A 542 3.245 -22.422 -15.646 1.00 14.44 H new ATOM 0 HA ILE A 542 3.983 -24.866 -14.277 1.00 64.22 H new ATOM 0 HB ILE A 542 1.285 -23.640 -14.974 1.00 72.33 H new ATOM 0 HG12 ILE A 542 2.521 -22.071 -13.596 1.00 53.21 H new ATOM 0 HG13 ILE A 542 1.199 -22.771 -12.683 1.00 53.21 H new ATOM 0 HG21 ILE A 542 0.407 -25.068 -13.148 1.00 14.32 H new ATOM 0 HG22 ILE A 542 1.126 -26.025 -14.465 1.00 14.32 H new ATOM 0 HG23 ILE A 542 2.024 -25.784 -12.947 1.00 14.32 H new ATOM 0 HD11 ILE A 542 3.209 -22.579 -11.306 1.00 41.24 H new ATOM 0 HD12 ILE A 542 2.775 -24.289 -11.539 1.00 41.24 H new ATOM 0 HD13 ILE A 542 4.118 -23.577 -12.466 1.00 41.24 H new ATOM 654 N GLU A 543 3.536 -26.408 -16.206 1.00 24.44 N ATOM 655 CA GLU A 543 3.305 -27.312 -17.301 1.00 2.11 C ATOM 656 C GLU A 543 1.919 -27.929 -17.173 1.00 51.41 C ATOM 657 O GLU A 543 1.643 -28.649 -16.217 1.00 51.23 O ATOM 658 CB GLU A 543 4.373 -28.394 -17.317 1.00 70.42 C ATOM 659 CG GLU A 543 5.787 -27.856 -17.431 1.00 42.15 C ATOM 660 CD GLU A 543 6.810 -28.950 -17.382 1.00 74.12 C ATOM 661 OE1 GLU A 543 6.994 -29.633 -18.392 1.00 61.44 O ATOM 662 OE2 GLU A 543 7.447 -29.149 -16.320 1.00 35.05 O ATOM 0 H GLU A 543 4.159 -26.769 -15.484 1.00 24.44 H new ATOM 0 HA GLU A 543 3.358 -26.762 -18.241 1.00 2.11 H new ATOM 0 HB2 GLU A 543 4.292 -28.986 -16.405 1.00 70.42 H new ATOM 0 HB3 GLU A 543 4.182 -29.068 -18.152 1.00 70.42 H new ATOM 0 HG2 GLU A 543 5.891 -27.304 -18.365 1.00 42.15 H new ATOM 0 HG3 GLU A 543 5.972 -27.150 -16.622 1.00 42.15 H new ATOM 669 N GLY A 544 1.053 -27.603 -18.097 1.00 11.44 N ATOM 670 CA GLY A 544 -0.283 -28.138 -18.083 1.00 5.52 C ATOM 671 C GLY A 544 -0.365 -29.360 -18.942 1.00 34.32 C ATOM 672 O GLY A 544 0.181 -30.409 -18.594 1.00 25.51 O ATOM 0 H GLY A 544 1.250 -26.968 -18.870 1.00 11.44 H new ATOM 0 HA2 GLY A 544 -0.572 -28.384 -17.061 1.00 5.52 H new ATOM 0 HA3 GLY A 544 -0.986 -27.386 -18.441 1.00 5.52 H new ATOM 676 N THR A 545 -1.019 -29.245 -20.062 1.00 13.32 N ATOM 677 CA THR A 545 -1.088 -30.334 -20.991 1.00 23.21 C ATOM 678 C THR A 545 0.139 -30.278 -21.899 1.00 12.33 C ATOM 679 O THR A 545 0.592 -31.290 -22.433 1.00 12.23 O ATOM 680 CB THR A 545 -2.397 -30.285 -21.820 1.00 74.11 C ATOM 681 OG1 THR A 545 -2.529 -29.006 -22.464 1.00 12.24 O ATOM 682 CG2 THR A 545 -3.610 -30.512 -20.931 1.00 1.31 C ATOM 0 H THR A 545 -1.514 -28.403 -20.354 1.00 13.32 H new ATOM 0 HA THR A 545 -1.096 -31.277 -20.444 1.00 23.21 H new ATOM 0 HB THR A 545 -2.347 -31.075 -22.569 1.00 74.11 H new ATOM 0 HG1 THR A 545 -3.358 -28.987 -22.986 1.00 12.24 H new ATOM 0 HG21 THR A 545 -4.516 -30.473 -21.535 1.00 1.31 H new ATOM 0 HG22 THR A 545 -3.534 -31.489 -20.454 1.00 1.31 H new ATOM 0 HG23 THR A 545 -3.651 -29.737 -20.166 1.00 1.31 H new ATOM 690 N ALA A 546 0.695 -29.086 -22.021 1.00 31.40 N ATOM 691 CA ALA A 546 1.871 -28.846 -22.823 1.00 50.30 C ATOM 692 C ALA A 546 3.111 -29.079 -21.980 1.00 74.40 C ATOM 693 O ALA A 546 3.105 -28.794 -20.773 1.00 62.54 O ATOM 694 CB ALA A 546 1.857 -27.418 -23.344 1.00 45.10 C ATOM 0 H ALA A 546 0.335 -28.251 -21.559 1.00 31.40 H new ATOM 0 HA ALA A 546 1.878 -29.530 -23.672 1.00 50.30 H new ATOM 0 HB1 ALA A 546 2.747 -27.243 -23.949 1.00 45.10 H new ATOM 0 HB2 ALA A 546 0.967 -27.262 -23.954 1.00 45.10 H new ATOM 0 HB3 ALA A 546 1.847 -26.724 -22.503 1.00 45.10 H new ATOM 700 N ARG A 547 4.152 -29.585 -22.588 1.00 0.43 N ATOM 701 CA ARG A 547 5.378 -29.854 -21.879 1.00 23.52 C ATOM 702 C ARG A 547 6.365 -28.735 -21.988 1.00 51.04 C ATOM 703 O ARG A 547 6.591 -28.161 -23.075 1.00 64.31 O ATOM 704 CB ARG A 547 6.035 -31.150 -22.301 1.00 12.24 C ATOM 705 CG ARG A 547 5.376 -32.405 -21.783 1.00 60.20 C ATOM 706 CD ARG A 547 5.239 -32.407 -20.258 1.00 33.33 C ATOM 707 NE ARG A 547 6.446 -31.915 -19.579 1.00 51.44 N ATOM 708 CZ ARG A 547 7.554 -32.587 -19.297 1.00 10.22 C ATOM 709 NH1 ARG A 547 7.666 -33.879 -19.554 1.00 23.13 N ATOM 710 NH2 ARG A 547 8.548 -31.939 -18.732 1.00 30.21 N ATOM 0 H ARG A 547 4.176 -29.821 -23.580 1.00 0.43 H new ATOM 0 HA ARG A 547 5.077 -29.950 -20.836 1.00 23.52 H new ATOM 0 HB2 ARG A 547 6.053 -31.192 -23.390 1.00 12.24 H new ATOM 0 HB3 ARG A 547 7.072 -31.139 -21.965 1.00 12.24 H new ATOM 0 HG2 ARG A 547 4.389 -32.506 -22.234 1.00 60.20 H new ATOM 0 HG3 ARG A 547 5.958 -33.272 -22.094 1.00 60.20 H new ATOM 0 HD2 ARG A 547 4.389 -31.787 -19.973 1.00 33.33 H new ATOM 0 HD3 ARG A 547 5.023 -33.420 -19.918 1.00 33.33 H new ATOM 0 HE ARG A 547 6.429 -30.937 -19.289 1.00 51.44 H new ATOM 0 HH11 ARG A 547 6.888 -34.384 -19.980 1.00 23.13 H new ATOM 0 HH12 ARG A 547 8.530 -34.371 -19.327 1.00 23.13 H new ATOM 0 HH21 ARG A 547 8.455 -30.945 -18.522 1.00 30.21 H new ATOM 0 HH22 ARG A 547 9.412 -32.430 -18.504 1.00 30.21 H new ATOM 724 N GLY A 548 6.983 -28.462 -20.881 1.00 50.12 N ATOM 725 CA GLY A 548 7.925 -27.409 -20.785 1.00 11.01 C ATOM 726 C GLY A 548 9.299 -27.940 -20.607 1.00 74.23 C ATOM 727 O GLY A 548 9.538 -28.807 -19.767 1.00 72.15 O ATOM 0 H GLY A 548 6.840 -28.976 -20.011 1.00 50.12 H new ATOM 0 HA2 GLY A 548 7.882 -26.795 -21.684 1.00 11.01 H new ATOM 0 HA3 GLY A 548 7.669 -26.763 -19.945 1.00 11.01 H new ATOM 731 N GLY A 549 10.189 -27.465 -21.412 1.00 55.34 N ATOM 732 CA GLY A 549 11.543 -27.897 -21.333 1.00 43.05 C ATOM 733 C GLY A 549 12.129 -28.030 -22.692 1.00 62.43 C ATOM 734 O GLY A 549 13.347 -28.045 -22.854 1.00 54.41 O ATOM 0 H GLY A 549 10.001 -26.773 -22.137 1.00 55.34 H new ATOM 0 HA2 GLY A 549 12.124 -27.184 -20.748 1.00 43.05 H new ATOM 0 HA3 GLY A 549 11.596 -28.854 -20.813 1.00 43.05 H new ATOM 738 N GLY A 550 11.270 -28.099 -23.683 1.00 73.53 N ATOM 739 CA GLY A 550 11.742 -28.213 -25.027 1.00 13.10 C ATOM 740 C GLY A 550 10.748 -28.849 -25.958 1.00 12.23 C ATOM 741 O GLY A 550 10.913 -28.759 -27.164 1.00 50.21 O ATOM 0 H GLY A 550 10.256 -28.078 -23.578 1.00 73.53 H new ATOM 0 HA2 GLY A 550 11.995 -27.221 -25.401 1.00 13.10 H new ATOM 0 HA3 GLY A 550 12.661 -28.800 -25.033 1.00 13.10 H new ATOM 745 N GLU A 551 9.744 -29.519 -25.414 1.00 31.23 N ATOM 746 CA GLU A 551 8.709 -30.143 -26.245 1.00 61.51 C ATOM 747 C GLU A 551 7.827 -29.100 -26.911 1.00 54.54 C ATOM 748 O GLU A 551 8.053 -28.738 -28.064 1.00 35.44 O ATOM 749 CB GLU A 551 7.846 -31.142 -25.452 1.00 51.01 C ATOM 750 CG GLU A 551 8.510 -32.473 -25.109 1.00 62.11 C ATOM 751 CD GLU A 551 9.780 -32.329 -24.330 1.00 54.23 C ATOM 752 OE1 GLU A 551 9.719 -32.102 -23.113 1.00 64.03 O ATOM 753 OE2 GLU A 551 10.871 -32.441 -24.925 1.00 51.11 O ATOM 0 H GLU A 551 9.618 -29.648 -24.410 1.00 31.23 H new ATOM 0 HA GLU A 551 9.234 -30.701 -27.020 1.00 61.51 H new ATOM 0 HB2 GLU A 551 7.533 -30.665 -24.523 1.00 51.01 H new ATOM 0 HB3 GLU A 551 6.942 -31.346 -26.026 1.00 51.01 H new ATOM 0 HG2 GLU A 551 7.810 -33.081 -24.536 1.00 62.11 H new ATOM 0 HG3 GLU A 551 8.720 -33.013 -26.032 1.00 62.11 H new ATOM 760 N ASP A 552 6.856 -28.603 -26.173 1.00 34.32 N ATOM 761 CA ASP A 552 5.947 -27.592 -26.687 1.00 23.12 C ATOM 762 C ASP A 552 6.565 -26.237 -26.473 1.00 14.04 C ATOM 763 O ASP A 552 6.742 -25.443 -27.405 1.00 61.31 O ATOM 764 CB ASP A 552 4.587 -27.640 -25.958 1.00 65.21 C ATOM 765 CG ASP A 552 3.834 -28.948 -26.111 1.00 51.50 C ATOM 766 OD1 ASP A 552 4.013 -29.859 -25.258 1.00 41.40 O ATOM 767 OD2 ASP A 552 3.022 -29.076 -27.038 1.00 73.35 O ATOM 0 H ASP A 552 6.673 -28.883 -25.209 1.00 34.32 H new ATOM 0 HA ASP A 552 5.777 -27.782 -27.747 1.00 23.12 H new ATOM 0 HB2 ASP A 552 4.752 -27.453 -24.897 1.00 65.21 H new ATOM 0 HB3 ASP A 552 3.961 -26.830 -26.331 1.00 65.21 H new ATOM 772 N PHE A 553 6.935 -25.978 -25.240 1.00 53.21 N ATOM 773 CA PHE A 553 7.515 -24.719 -24.890 1.00 14.44 C ATOM 774 C PHE A 553 8.784 -24.926 -24.080 1.00 22.23 C ATOM 775 O PHE A 553 9.027 -26.017 -23.531 1.00 15.50 O ATOM 776 CB PHE A 553 6.509 -23.822 -24.124 1.00 23.22 C ATOM 777 CG PHE A 553 6.105 -24.314 -22.744 1.00 60.50 C ATOM 778 CD1 PHE A 553 5.127 -25.280 -22.589 1.00 33.24 C ATOM 779 CD2 PHE A 553 6.702 -23.787 -21.605 1.00 21.21 C ATOM 780 CE1 PHE A 553 4.752 -25.713 -21.331 1.00 35.30 C ATOM 781 CE2 PHE A 553 6.331 -24.220 -20.346 1.00 42.23 C ATOM 782 CZ PHE A 553 5.354 -25.183 -20.209 1.00 44.34 C ATOM 0 H PHE A 553 6.840 -26.633 -24.464 1.00 53.21 H new ATOM 0 HA PHE A 553 7.774 -24.202 -25.814 1.00 14.44 H new ATOM 0 HB2 PHE A 553 6.942 -22.827 -24.022 1.00 23.22 H new ATOM 0 HB3 PHE A 553 5.609 -23.718 -24.730 1.00 23.22 H new ATOM 0 HD1 PHE A 553 4.650 -25.701 -23.462 1.00 33.24 H new ATOM 0 HD2 PHE A 553 7.465 -23.030 -21.705 1.00 21.21 H new ATOM 0 HE1 PHE A 553 3.986 -26.468 -21.227 1.00 35.30 H new ATOM 0 HE2 PHE A 553 6.806 -23.804 -19.470 1.00 42.23 H new ATOM 0 HZ PHE A 553 5.061 -25.521 -19.226 1.00 44.34 H new ATOM 792 N GLU A 554 9.591 -23.917 -24.035 1.00 74.12 N ATOM 793 CA GLU A 554 10.798 -23.929 -23.259 1.00 12.32 C ATOM 794 C GLU A 554 10.449 -23.250 -21.938 1.00 61.24 C ATOM 795 O GLU A 554 10.022 -22.087 -21.939 1.00 53.52 O ATOM 796 CB GLU A 554 11.877 -23.145 -24.007 1.00 20.54 C ATOM 797 CG GLU A 554 13.284 -23.421 -23.578 1.00 64.11 C ATOM 798 CD GLU A 554 14.296 -22.598 -24.327 1.00 71.54 C ATOM 799 OE1 GLU A 554 14.404 -21.393 -24.069 1.00 32.25 O ATOM 800 OE2 GLU A 554 14.982 -23.141 -25.213 1.00 50.34 O ATOM 0 H GLU A 554 9.432 -23.046 -24.542 1.00 74.12 H new ATOM 0 HA GLU A 554 11.178 -24.936 -23.088 1.00 12.32 H new ATOM 0 HB2 GLU A 554 11.790 -23.364 -25.071 1.00 20.54 H new ATOM 0 HB3 GLU A 554 11.680 -22.080 -23.884 1.00 20.54 H new ATOM 0 HG2 GLU A 554 13.379 -23.221 -22.511 1.00 64.11 H new ATOM 0 HG3 GLU A 554 13.503 -24.479 -23.725 1.00 64.11 H new ATOM 807 N ASP A 555 10.583 -23.971 -20.835 1.00 44.34 N ATOM 808 CA ASP A 555 10.154 -23.465 -19.524 1.00 43.30 C ATOM 809 C ASP A 555 11.034 -22.322 -19.054 1.00 2.43 C ATOM 810 O ASP A 555 12.239 -22.299 -19.302 1.00 54.31 O ATOM 811 CB ASP A 555 10.113 -24.579 -18.462 1.00 74.45 C ATOM 812 CG ASP A 555 11.479 -25.111 -18.101 1.00 52.21 C ATOM 813 OD1 ASP A 555 11.989 -25.987 -18.817 1.00 54.32 O ATOM 814 OD2 ASP A 555 12.054 -24.676 -17.082 1.00 73.14 O ATOM 0 H ASP A 555 10.984 -24.909 -20.813 1.00 44.34 H new ATOM 0 HA ASP A 555 9.140 -23.088 -19.653 1.00 43.30 H new ATOM 0 HB2 ASP A 555 9.631 -24.196 -17.563 1.00 74.45 H new ATOM 0 HB3 ASP A 555 9.497 -25.399 -18.830 1.00 74.45 H new ATOM 819 N THR A 556 10.432 -21.375 -18.410 1.00 32.41 N ATOM 820 CA THR A 556 11.123 -20.213 -17.953 1.00 4.11 C ATOM 821 C THR A 556 10.610 -19.807 -16.558 1.00 13.43 C ATOM 822 O THR A 556 9.396 -19.851 -16.290 1.00 11.04 O ATOM 823 CB THR A 556 11.000 -19.051 -19.014 1.00 63.10 C ATOM 824 OG1 THR A 556 11.589 -17.831 -18.557 1.00 44.11 O ATOM 825 CG2 THR A 556 9.556 -18.804 -19.445 1.00 71.54 C ATOM 0 H THR A 556 9.437 -21.386 -18.184 1.00 32.41 H new ATOM 0 HA THR A 556 12.186 -20.433 -17.850 1.00 4.11 H new ATOM 0 HB THR A 556 11.559 -19.393 -19.885 1.00 63.10 H new ATOM 0 HG1 THR A 556 11.619 -17.186 -19.294 1.00 44.11 H new ATOM 0 HG21 THR A 556 9.528 -17.995 -20.175 1.00 71.54 H new ATOM 0 HG22 THR A 556 9.150 -19.711 -19.892 1.00 71.54 H new ATOM 0 HG23 THR A 556 8.959 -18.529 -18.576 1.00 71.54 H new ATOM 833 N CYS A 557 11.523 -19.461 -15.665 1.00 4.52 N ATOM 834 CA CYS A 557 11.157 -19.055 -14.330 1.00 44.04 C ATOM 835 C CYS A 557 12.061 -17.934 -13.796 1.00 31.24 C ATOM 836 O CYS A 557 13.254 -18.137 -13.547 1.00 31.43 O ATOM 837 CB CYS A 557 11.123 -20.268 -13.374 1.00 64.14 C ATOM 838 SG CYS A 557 12.632 -21.272 -13.365 1.00 33.32 S ATOM 0 H CYS A 557 12.526 -19.455 -15.848 1.00 4.52 H new ATOM 0 HA CYS A 557 10.150 -18.641 -14.380 1.00 44.04 H new ATOM 0 HB2 CYS A 557 10.936 -19.910 -12.362 1.00 64.14 H new ATOM 0 HB3 CYS A 557 10.282 -20.905 -13.647 1.00 64.14 H new ATOM 0 HG CYS A 557 12.493 -22.257 -12.528 1.00 33.32 H new ATOM 844 N GLY A 558 11.482 -16.745 -13.664 1.00 74.51 N ATOM 845 CA GLY A 558 12.189 -15.596 -13.113 1.00 45.42 C ATOM 846 C GLY A 558 13.110 -14.930 -14.112 1.00 23.21 C ATOM 847 O GLY A 558 14.167 -15.461 -14.436 1.00 43.34 O ATOM 0 H GLY A 558 10.517 -16.552 -13.934 1.00 74.51 H new ATOM 0 HA2 GLY A 558 11.462 -14.867 -12.756 1.00 45.42 H new ATOM 0 HA3 GLY A 558 12.771 -15.915 -12.248 1.00 45.42 H new ATOM 851 N GLU A 559 12.709 -13.781 -14.606 1.00 23.23 N ATOM 852 CA GLU A 559 13.507 -13.045 -15.577 1.00 32.22 C ATOM 853 C GLU A 559 13.114 -11.557 -15.511 1.00 61.11 C ATOM 854 O GLU A 559 13.477 -10.753 -16.368 1.00 13.13 O ATOM 855 CB GLU A 559 13.211 -13.620 -16.983 1.00 62.51 C ATOM 856 CG GLU A 559 14.105 -13.139 -18.114 1.00 44.41 C ATOM 857 CD GLU A 559 15.525 -13.575 -17.953 1.00 5.32 C ATOM 858 OE1 GLU A 559 15.862 -14.719 -18.352 1.00 25.45 O ATOM 859 OE2 GLU A 559 16.344 -12.793 -17.450 1.00 70.02 O ATOM 0 H GLU A 559 11.830 -13.328 -14.353 1.00 23.23 H new ATOM 0 HA GLU A 559 14.572 -13.140 -15.364 1.00 32.22 H new ATOM 0 HB2 GLU A 559 13.283 -14.706 -16.929 1.00 62.51 H new ATOM 0 HB3 GLU A 559 12.179 -13.381 -17.239 1.00 62.51 H new ATOM 0 HG2 GLU A 559 13.719 -13.515 -19.061 1.00 44.41 H new ATOM 0 HG3 GLU A 559 14.067 -12.051 -18.164 1.00 44.41 H new ATOM 866 N LEU A 560 12.413 -11.171 -14.463 1.00 71.03 N ATOM 867 CA LEU A 560 11.877 -9.833 -14.420 1.00 34.43 C ATOM 868 C LEU A 560 12.446 -9.027 -13.277 1.00 3.24 C ATOM 869 O LEU A 560 12.558 -9.510 -12.143 1.00 23.13 O ATOM 870 CB LEU A 560 10.360 -9.848 -14.309 1.00 22.10 C ATOM 871 CG LEU A 560 9.598 -10.704 -15.322 1.00 10.43 C ATOM 872 CD1 LEU A 560 8.114 -10.577 -15.095 1.00 4.13 C ATOM 873 CD2 LEU A 560 9.944 -10.327 -16.752 1.00 2.32 C ATOM 0 H LEU A 560 12.207 -11.752 -13.650 1.00 71.03 H new ATOM 0 HA LEU A 560 12.168 -9.360 -15.358 1.00 34.43 H new ATOM 0 HB2 LEU A 560 10.097 -10.192 -13.309 1.00 22.10 H new ATOM 0 HB3 LEU A 560 10.004 -8.822 -14.397 1.00 22.10 H new ATOM 0 HG LEU A 560 9.899 -11.741 -15.173 1.00 10.43 H new ATOM 0 HD11 LEU A 560 7.581 -11.190 -15.822 1.00 4.13 H new ATOM 0 HD12 LEU A 560 7.870 -10.914 -14.087 1.00 4.13 H new ATOM 0 HD13 LEU A 560 7.816 -9.535 -15.212 1.00 4.13 H new ATOM 0 HD21 LEU A 560 9.382 -10.958 -17.441 1.00 2.32 H new ATOM 0 HD22 LEU A 560 9.687 -9.282 -16.925 1.00 2.32 H new ATOM 0 HD23 LEU A 560 11.012 -10.470 -16.918 1.00 2.32 H new ATOM 885 N GLU A 561 12.787 -7.816 -13.591 1.00 2.32 N ATOM 886 CA GLU A 561 13.264 -6.851 -12.649 1.00 2.35 C ATOM 887 C GLU A 561 12.548 -5.538 -12.933 1.00 63.33 C ATOM 888 O GLU A 561 12.747 -4.923 -13.979 1.00 23.24 O ATOM 889 CB GLU A 561 14.787 -6.669 -12.758 1.00 53.33 C ATOM 890 CG GLU A 561 15.363 -5.711 -11.720 1.00 74.32 C ATOM 891 CD GLU A 561 16.863 -5.580 -11.792 1.00 15.41 C ATOM 892 OE1 GLU A 561 17.584 -6.570 -11.528 1.00 43.25 O ATOM 893 OE2 GLU A 561 17.364 -4.466 -12.057 1.00 10.10 O ATOM 0 H GLU A 561 12.739 -7.459 -14.545 1.00 2.32 H new ATOM 0 HA GLU A 561 13.057 -7.190 -11.634 1.00 2.35 H new ATOM 0 HB2 GLU A 561 15.269 -7.641 -12.651 1.00 53.33 H new ATOM 0 HB3 GLU A 561 15.030 -6.301 -13.755 1.00 53.33 H new ATOM 0 HG2 GLU A 561 14.913 -4.727 -11.855 1.00 74.32 H new ATOM 0 HG3 GLU A 561 15.083 -6.055 -10.724 1.00 74.32 H new ATOM 900 N PHE A 562 11.681 -5.161 -12.054 1.00 21.43 N ATOM 901 CA PHE A 562 10.942 -3.934 -12.177 1.00 51.51 C ATOM 902 C PHE A 562 11.540 -2.922 -11.271 1.00 42.54 C ATOM 903 O PHE A 562 11.553 -3.092 -10.066 1.00 0.50 O ATOM 904 CB PHE A 562 9.469 -4.120 -11.848 1.00 40.54 C ATOM 905 CG PHE A 562 8.668 -4.779 -12.926 1.00 21.31 C ATOM 906 CD1 PHE A 562 8.699 -6.150 -13.106 1.00 63.44 C ATOM 907 CD2 PHE A 562 7.861 -4.017 -13.751 1.00 63.34 C ATOM 908 CE1 PHE A 562 7.941 -6.744 -14.087 1.00 1.40 C ATOM 909 CE2 PHE A 562 7.101 -4.605 -14.727 1.00 61.52 C ATOM 910 CZ PHE A 562 7.138 -5.968 -14.896 1.00 42.42 C ATOM 0 H PHE A 562 11.458 -5.698 -11.216 1.00 21.43 H new ATOM 0 HA PHE A 562 11.001 -3.600 -13.213 1.00 51.51 H new ATOM 0 HB2 PHE A 562 9.386 -4.713 -10.938 1.00 40.54 H new ATOM 0 HB3 PHE A 562 9.032 -3.145 -11.634 1.00 40.54 H new ATOM 0 HD1 PHE A 562 9.324 -6.759 -12.470 1.00 63.44 H new ATOM 0 HD2 PHE A 562 7.830 -2.945 -13.624 1.00 63.34 H new ATOM 0 HE1 PHE A 562 7.974 -7.815 -14.224 1.00 1.40 H new ATOM 0 HE2 PHE A 562 6.474 -3.998 -15.363 1.00 61.52 H new ATOM 0 HZ PHE A 562 6.537 -6.432 -15.664 1.00 42.42 H new ATOM 920 N GLN A 563 12.068 -1.904 -11.843 1.00 21.02 N ATOM 921 CA GLN A 563 12.708 -0.885 -11.087 1.00 35.20 C ATOM 922 C GLN A 563 11.699 0.192 -10.710 1.00 11.23 C ATOM 923 O GLN A 563 11.144 0.193 -9.616 1.00 60.31 O ATOM 924 CB GLN A 563 13.879 -0.309 -11.887 1.00 21.32 C ATOM 925 CG GLN A 563 14.870 -1.372 -12.339 1.00 50.34 C ATOM 926 CD GLN A 563 15.953 -0.820 -13.226 1.00 73.13 C ATOM 927 OE1 GLN A 563 15.803 -0.763 -14.449 1.00 74.04 O ATOM 928 NE2 GLN A 563 17.050 -0.423 -12.639 1.00 33.21 N ATOM 0 H GLN A 563 12.070 -1.750 -12.851 1.00 21.02 H new ATOM 0 HA GLN A 563 13.106 -1.304 -10.163 1.00 35.20 H new ATOM 0 HB2 GLN A 563 13.492 0.214 -12.761 1.00 21.32 H new ATOM 0 HB3 GLN A 563 14.400 0.430 -11.278 1.00 21.32 H new ATOM 0 HG2 GLN A 563 15.325 -1.834 -11.463 1.00 50.34 H new ATOM 0 HG3 GLN A 563 14.335 -2.158 -12.872 1.00 50.34 H new ATOM 0 HE21 GLN A 563 17.137 -0.486 -11.625 1.00 33.21 H new ATOM 0 HE22 GLN A 563 17.820 -0.050 -13.195 1.00 33.21 H new ATOM 937 N ASN A 564 11.415 1.049 -11.631 1.00 13.01 N ATOM 938 CA ASN A 564 10.495 2.121 -11.391 1.00 35.25 C ATOM 939 C ASN A 564 9.167 1.798 -12.071 1.00 14.22 C ATOM 940 O ASN A 564 9.095 0.901 -12.912 1.00 63.30 O ATOM 941 CB ASN A 564 11.085 3.422 -11.926 1.00 62.44 C ATOM 942 CG ASN A 564 10.272 4.650 -11.585 1.00 51.14 C ATOM 943 OD1 ASN A 564 9.384 5.046 -12.333 1.00 41.54 O ATOM 944 ND2 ASN A 564 10.549 5.247 -10.467 1.00 32.22 N ATOM 0 H ASN A 564 11.810 1.031 -12.571 1.00 13.01 H new ATOM 0 HA ASN A 564 10.319 2.240 -10.322 1.00 35.25 H new ATOM 0 HB2 ASN A 564 12.092 3.543 -11.528 1.00 62.44 H new ATOM 0 HB3 ASN A 564 11.177 3.349 -13.010 1.00 62.44 H new ATOM 0 HD21 ASN A 564 10.021 6.073 -10.186 1.00 32.22 H new ATOM 0 HD22 ASN A 564 11.294 4.890 -9.869 1.00 32.22 H new ATOM 951 N ASP A 565 8.138 2.545 -11.735 1.00 5.44 N ATOM 952 CA ASP A 565 6.793 2.333 -12.244 1.00 21.32 C ATOM 953 C ASP A 565 6.675 2.669 -13.726 1.00 35.23 C ATOM 954 O ASP A 565 5.766 2.190 -14.404 1.00 62.44 O ATOM 955 CB ASP A 565 5.776 3.174 -11.449 1.00 44.33 C ATOM 956 CG ASP A 565 5.917 4.683 -11.642 1.00 15.35 C ATOM 957 OD1 ASP A 565 5.311 5.237 -12.567 1.00 11.22 O ATOM 958 OD2 ASP A 565 6.633 5.333 -10.845 1.00 10.25 O ATOM 0 H ASP A 565 8.210 3.331 -11.089 1.00 5.44 H new ATOM 0 HA ASP A 565 6.575 1.272 -12.121 1.00 21.32 H new ATOM 0 HB2 ASP A 565 4.769 2.875 -11.740 1.00 44.33 H new ATOM 0 HB3 ASP A 565 5.882 2.944 -10.389 1.00 44.33 H new ATOM 963 N GLU A 566 7.593 3.449 -14.232 1.00 54.41 N ATOM 964 CA GLU A 566 7.529 3.916 -15.605 1.00 24.33 C ATOM 965 C GLU A 566 7.803 2.825 -16.654 1.00 31.44 C ATOM 966 O GLU A 566 7.566 3.044 -17.837 1.00 72.22 O ATOM 967 CB GLU A 566 8.476 5.084 -15.813 1.00 45.54 C ATOM 968 CG GLU A 566 9.943 4.760 -15.626 1.00 11.52 C ATOM 969 CD GLU A 566 10.808 5.960 -15.856 1.00 62.25 C ATOM 970 OE1 GLU A 566 10.890 6.432 -16.999 1.00 72.13 O ATOM 971 OE2 GLU A 566 11.401 6.473 -14.892 1.00 23.44 O ATOM 0 H GLU A 566 8.406 3.781 -13.713 1.00 54.41 H new ATOM 0 HA GLU A 566 6.498 4.235 -15.759 1.00 24.33 H new ATOM 0 HB2 GLU A 566 8.331 5.475 -16.820 1.00 45.54 H new ATOM 0 HB3 GLU A 566 8.204 5.880 -15.120 1.00 45.54 H new ATOM 0 HG2 GLU A 566 10.106 4.381 -14.617 1.00 11.52 H new ATOM 0 HG3 GLU A 566 10.231 3.966 -16.315 1.00 11.52 H new ATOM 978 N ILE A 567 8.263 1.660 -16.238 1.00 24.41 N ATOM 979 CA ILE A 567 8.619 0.633 -17.195 1.00 34.23 C ATOM 980 C ILE A 567 7.689 -0.551 -17.085 1.00 15.11 C ATOM 981 O ILE A 567 6.911 -0.661 -16.123 1.00 64.54 O ATOM 982 CB ILE A 567 10.092 0.143 -17.048 1.00 34.54 C ATOM 983 CG1 ILE A 567 10.329 -0.497 -15.666 1.00 21.11 C ATOM 984 CG2 ILE A 567 11.065 1.288 -17.295 1.00 53.35 C ATOM 985 CD1 ILE A 567 11.719 -1.075 -15.479 1.00 14.41 C ATOM 0 H ILE A 567 8.397 1.405 -15.260 1.00 24.41 H new ATOM 0 HA ILE A 567 8.521 1.095 -18.177 1.00 34.23 H new ATOM 0 HB ILE A 567 10.271 -0.624 -17.802 1.00 34.54 H new ATOM 0 HG12 ILE A 567 10.153 0.254 -14.895 1.00 21.11 H new ATOM 0 HG13 ILE A 567 9.595 -1.288 -15.514 1.00 21.11 H new ATOM 0 HG21 ILE A 567 12.088 0.926 -17.188 1.00 53.35 H new ATOM 0 HG22 ILE A 567 10.921 1.676 -18.303 1.00 53.35 H new ATOM 0 HG23 ILE A 567 10.884 2.082 -16.571 1.00 53.35 H new ATOM 0 HD11 ILE A 567 11.803 -1.505 -14.481 1.00 14.41 H new ATOM 0 HD12 ILE A 567 11.894 -1.851 -16.225 1.00 14.41 H new ATOM 0 HD13 ILE A 567 12.460 -0.285 -15.597 1.00 14.41 H new ATOM 997 N VAL A 568 7.743 -1.399 -18.064 1.00 43.20 N ATOM 998 CA VAL A 568 6.985 -2.612 -18.085 1.00 51.12 C ATOM 999 C VAL A 568 7.930 -3.715 -18.536 1.00 22.35 C ATOM 1000 O VAL A 568 8.884 -3.442 -19.276 1.00 34.13 O ATOM 1001 CB VAL A 568 5.755 -2.504 -19.057 1.00 4.31 C ATOM 1002 CG1 VAL A 568 6.172 -2.382 -20.518 1.00 71.13 C ATOM 1003 CG2 VAL A 568 4.780 -3.654 -18.868 1.00 25.34 C ATOM 0 H VAL A 568 8.328 -1.265 -18.889 1.00 43.20 H new ATOM 0 HA VAL A 568 6.580 -2.822 -17.095 1.00 51.12 H new ATOM 0 HB VAL A 568 5.241 -1.580 -18.790 1.00 4.31 H new ATOM 0 HG11 VAL A 568 5.283 -2.311 -21.145 1.00 71.13 H new ATOM 0 HG12 VAL A 568 6.781 -1.488 -20.649 1.00 71.13 H new ATOM 0 HG13 VAL A 568 6.750 -3.260 -20.806 1.00 71.13 H new ATOM 0 HG21 VAL A 568 3.945 -3.540 -19.559 1.00 25.34 H new ATOM 0 HG22 VAL A 568 5.288 -4.598 -19.065 1.00 25.34 H new ATOM 0 HG23 VAL A 568 4.407 -3.650 -17.844 1.00 25.34 H new ATOM 1013 N LYS A 569 7.734 -4.914 -18.066 1.00 22.50 N ATOM 1014 CA LYS A 569 8.564 -6.003 -18.497 1.00 63.45 C ATOM 1015 C LYS A 569 7.809 -7.050 -19.223 1.00 32.53 C ATOM 1016 O LYS A 569 6.594 -7.198 -19.042 1.00 40.41 O ATOM 1017 CB LYS A 569 9.442 -6.590 -17.417 1.00 31.41 C ATOM 1018 CG LYS A 569 10.639 -5.748 -17.151 1.00 22.03 C ATOM 1019 CD LYS A 569 11.818 -6.611 -16.857 1.00 63.52 C ATOM 1020 CE LYS A 569 13.104 -5.813 -16.939 1.00 14.11 C ATOM 1021 NZ LYS A 569 13.349 -5.298 -18.309 1.00 24.54 N ATOM 0 H LYS A 569 7.012 -5.162 -17.389 1.00 22.50 H new ATOM 0 HA LYS A 569 9.251 -5.546 -19.209 1.00 63.45 H new ATOM 0 HB2 LYS A 569 8.864 -6.698 -16.499 1.00 31.41 H new ATOM 0 HB3 LYS A 569 9.761 -7.590 -17.713 1.00 31.41 H new ATOM 0 HG2 LYS A 569 10.848 -5.116 -18.014 1.00 22.03 H new ATOM 0 HG3 LYS A 569 10.446 -5.084 -16.309 1.00 22.03 H new ATOM 0 HD2 LYS A 569 11.717 -7.045 -15.862 1.00 63.52 H new ATOM 0 HD3 LYS A 569 11.853 -7.439 -17.564 1.00 63.52 H new ATOM 0 HE2 LYS A 569 13.058 -4.978 -16.240 1.00 14.11 H new ATOM 0 HE3 LYS A 569 13.941 -6.440 -16.632 1.00 14.11 H new ATOM 0 HZ1 LYS A 569 14.370 -5.159 -18.450 1.00 24.54 H new ATOM 0 HZ2 LYS A 569 12.993 -5.983 -19.006 1.00 24.54 H new ATOM 0 HZ3 LYS A 569 12.856 -4.391 -18.432 1.00 24.54 H new ATOM 1035 N ILE A 570 8.523 -7.775 -20.043 1.00 1.31 N ATOM 1036 CA ILE A 570 7.930 -8.743 -20.911 1.00 20.32 C ATOM 1037 C ILE A 570 8.515 -10.122 -20.653 1.00 51.31 C ATOM 1038 O ILE A 570 9.732 -10.287 -20.524 1.00 55.32 O ATOM 1039 CB ILE A 570 8.151 -8.370 -22.410 1.00 54.13 C ATOM 1040 CG1 ILE A 570 7.724 -6.923 -22.673 1.00 3.43 C ATOM 1041 CG2 ILE A 570 7.348 -9.305 -23.308 1.00 42.14 C ATOM 1042 CD1 ILE A 570 7.885 -6.477 -24.109 1.00 1.13 C ATOM 0 H ILE A 570 9.537 -7.706 -20.124 1.00 1.31 H new ATOM 0 HA ILE A 570 6.860 -8.753 -20.703 1.00 20.32 H new ATOM 0 HB ILE A 570 9.213 -8.474 -22.634 1.00 54.13 H new ATOM 0 HG12 ILE A 570 6.680 -6.807 -22.384 1.00 3.43 H new ATOM 0 HG13 ILE A 570 8.308 -6.262 -22.032 1.00 3.43 H new ATOM 0 HG21 ILE A 570 7.510 -9.035 -24.352 1.00 42.14 H new ATOM 0 HG22 ILE A 570 7.671 -10.333 -23.145 1.00 42.14 H new ATOM 0 HG23 ILE A 570 6.288 -9.216 -23.071 1.00 42.14 H new ATOM 0 HD11 ILE A 570 7.560 -5.441 -24.207 1.00 1.13 H new ATOM 0 HD12 ILE A 570 8.932 -6.558 -24.400 1.00 1.13 H new ATOM 0 HD13 ILE A 570 7.279 -7.110 -24.757 1.00 1.13 H new ATOM 1054 N ILE A 571 7.651 -11.084 -20.546 1.00 73.22 N ATOM 1055 CA ILE A 571 8.028 -12.461 -20.409 1.00 31.33 C ATOM 1056 C ILE A 571 8.105 -13.035 -21.798 1.00 53.54 C ATOM 1057 O ILE A 571 7.181 -12.846 -22.590 1.00 31.32 O ATOM 1058 CB ILE A 571 6.972 -13.258 -19.600 1.00 32.04 C ATOM 1059 CG1 ILE A 571 6.702 -12.543 -18.269 1.00 50.43 C ATOM 1060 CG2 ILE A 571 7.456 -14.695 -19.368 1.00 30.23 C ATOM 1061 CD1 ILE A 571 5.664 -13.203 -17.400 1.00 45.14 C ATOM 0 H ILE A 571 6.642 -10.933 -20.551 1.00 73.22 H new ATOM 0 HA ILE A 571 8.979 -12.530 -19.880 1.00 31.33 H new ATOM 0 HB ILE A 571 6.040 -13.307 -20.164 1.00 32.04 H new ATOM 0 HG12 ILE A 571 7.636 -12.478 -17.711 1.00 50.43 H new ATOM 0 HG13 ILE A 571 6.385 -11.521 -18.479 1.00 50.43 H new ATOM 0 HG21 ILE A 571 6.706 -15.244 -18.799 1.00 30.23 H new ATOM 0 HG22 ILE A 571 7.614 -15.185 -20.329 1.00 30.23 H new ATOM 0 HG23 ILE A 571 8.393 -14.678 -18.811 1.00 30.23 H new ATOM 0 HD11 ILE A 571 5.540 -12.629 -16.482 1.00 45.14 H new ATOM 0 HD12 ILE A 571 4.715 -13.243 -17.934 1.00 45.14 H new ATOM 0 HD13 ILE A 571 5.985 -14.215 -17.154 1.00 45.14 H new ATOM 1073 N THR A 572 9.190 -13.674 -22.103 1.00 65.44 N ATOM 1074 CA THR A 572 9.375 -14.270 -23.388 1.00 40.31 C ATOM 1075 C THR A 572 9.463 -15.776 -23.238 1.00 73.30 C ATOM 1076 O THR A 572 10.405 -16.290 -22.609 1.00 61.31 O ATOM 1077 CB THR A 572 10.650 -13.716 -24.065 1.00 44.54 C ATOM 1078 OG1 THR A 572 11.767 -13.797 -23.154 1.00 61.00 O ATOM 1079 CG2 THR A 572 10.448 -12.273 -24.494 1.00 11.21 C ATOM 0 H THR A 572 9.976 -13.798 -21.465 1.00 65.44 H new ATOM 0 HA THR A 572 8.523 -14.024 -24.022 1.00 40.31 H new ATOM 0 HB THR A 572 10.857 -14.318 -24.950 1.00 44.54 H new ATOM 0 HG1 THR A 572 11.783 -14.682 -22.733 1.00 61.00 H new ATOM 0 HG21 THR A 572 11.357 -11.904 -24.968 1.00 11.21 H new ATOM 0 HG22 THR A 572 9.621 -12.216 -25.202 1.00 11.21 H new ATOM 0 HG23 THR A 572 10.220 -11.662 -23.620 1.00 11.21 H new ATOM 1087 N ILE A 573 8.478 -16.473 -23.746 1.00 34.53 N ATOM 1088 CA ILE A 573 8.464 -17.916 -23.670 1.00 32.20 C ATOM 1089 C ILE A 573 8.725 -18.479 -25.047 1.00 2.32 C ATOM 1090 O ILE A 573 8.105 -18.042 -26.034 1.00 73.20 O ATOM 1091 CB ILE A 573 7.108 -18.448 -23.148 1.00 11.51 C ATOM 1092 CG1 ILE A 573 6.767 -17.793 -21.810 1.00 23.32 C ATOM 1093 CG2 ILE A 573 7.148 -19.976 -22.999 1.00 71.35 C ATOM 1094 CD1 ILE A 573 5.394 -18.138 -21.306 1.00 55.52 C ATOM 0 H ILE A 573 7.672 -16.065 -24.219 1.00 34.53 H new ATOM 0 HA ILE A 573 9.238 -18.231 -22.970 1.00 32.20 H new ATOM 0 HB ILE A 573 6.334 -18.194 -23.872 1.00 11.51 H new ATOM 0 HG12 ILE A 573 7.505 -18.097 -21.067 1.00 23.32 H new ATOM 0 HG13 ILE A 573 6.846 -16.711 -21.914 1.00 23.32 H new ATOM 0 HG21 ILE A 573 6.185 -20.331 -22.631 1.00 71.35 H new ATOM 0 HG22 ILE A 573 7.356 -20.431 -23.968 1.00 71.35 H new ATOM 0 HG23 ILE A 573 7.931 -20.252 -22.293 1.00 71.35 H new ATOM 0 HD11 ILE A 573 5.220 -17.639 -20.353 1.00 55.52 H new ATOM 0 HD12 ILE A 573 4.648 -17.809 -22.029 1.00 55.52 H new ATOM 0 HD13 ILE A 573 5.317 -19.217 -21.170 1.00 55.52 H new ATOM 1106 N ARG A 574 9.650 -19.407 -25.123 1.00 1.23 N ATOM 1107 CA ARG A 574 9.987 -20.037 -26.372 1.00 62.21 C ATOM 1108 C ARG A 574 8.923 -21.054 -26.728 1.00 21.41 C ATOM 1109 O ARG A 574 8.763 -22.061 -26.029 1.00 73.51 O ATOM 1110 CB ARG A 574 11.324 -20.759 -26.275 1.00 3.53 C ATOM 1111 CG ARG A 574 11.919 -21.143 -27.609 1.00 53.13 C ATOM 1112 CD ARG A 574 13.245 -21.829 -27.444 1.00 44.14 C ATOM 1113 NE ARG A 574 13.879 -22.141 -28.728 1.00 65.51 N ATOM 1114 CZ ARG A 574 15.080 -22.714 -28.861 1.00 4.12 C ATOM 1115 NH1 ARG A 574 15.743 -23.137 -27.795 1.00 2.32 N ATOM 1116 NH2 ARG A 574 15.596 -22.884 -30.065 1.00 15.23 N ATOM 0 H ARG A 574 10.186 -19.743 -24.323 1.00 1.23 H new ATOM 0 HA ARG A 574 10.051 -19.261 -27.135 1.00 62.21 H new ATOM 0 HB2 ARG A 574 12.031 -20.121 -25.745 1.00 3.53 H new ATOM 0 HB3 ARG A 574 11.195 -21.660 -25.675 1.00 3.53 H new ATOM 0 HG2 ARG A 574 11.231 -21.802 -28.139 1.00 53.13 H new ATOM 0 HG3 ARG A 574 12.044 -20.251 -28.223 1.00 53.13 H new ATOM 0 HD2 ARG A 574 13.909 -21.193 -26.860 1.00 44.14 H new ATOM 0 HD3 ARG A 574 13.106 -22.750 -26.878 1.00 44.14 H new ATOM 0 HE ARG A 574 13.369 -21.905 -29.579 1.00 65.51 H new ATOM 0 HH11 ARG A 574 15.338 -23.027 -26.865 1.00 2.32 H new ATOM 0 HH12 ARG A 574 16.659 -23.573 -27.904 1.00 2.32 H new ATOM 0 HH21 ARG A 574 15.079 -22.579 -30.889 1.00 15.23 H new ATOM 0 HH22 ARG A 574 16.512 -23.321 -30.170 1.00 15.23 H new ATOM 1130 N ILE A 575 8.198 -20.782 -27.764 1.00 23.51 N ATOM 1131 CA ILE A 575 7.223 -21.700 -28.277 1.00 10.25 C ATOM 1132 C ILE A 575 7.886 -22.370 -29.453 1.00 51.23 C ATOM 1133 O ILE A 575 8.310 -21.686 -30.395 1.00 62.33 O ATOM 1134 CB ILE A 575 5.927 -20.969 -28.744 1.00 13.23 C ATOM 1135 CG1 ILE A 575 5.295 -20.160 -27.587 1.00 35.53 C ATOM 1136 CG2 ILE A 575 4.917 -21.960 -29.324 1.00 1.22 C ATOM 1137 CD1 ILE A 575 4.871 -20.991 -26.383 1.00 11.14 C ATOM 0 H ILE A 575 8.264 -19.908 -28.286 1.00 23.51 H new ATOM 0 HA ILE A 575 6.915 -22.408 -27.508 1.00 10.25 H new ATOM 0 HB ILE A 575 6.207 -20.269 -29.531 1.00 13.23 H new ATOM 0 HG12 ILE A 575 6.010 -19.406 -27.257 1.00 35.53 H new ATOM 0 HG13 ILE A 575 4.424 -19.628 -27.968 1.00 35.53 H new ATOM 0 HG21 ILE A 575 4.023 -21.424 -29.642 1.00 1.22 H new ATOM 0 HG22 ILE A 575 5.358 -22.470 -30.181 1.00 1.22 H new ATOM 0 HG23 ILE A 575 4.649 -22.694 -28.564 1.00 1.22 H new ATOM 0 HD11 ILE A 575 4.439 -20.338 -25.624 1.00 11.14 H new ATOM 0 HD12 ILE A 575 4.130 -21.728 -26.692 1.00 11.14 H new ATOM 0 HD13 ILE A 575 5.740 -21.503 -25.970 1.00 11.14 H new ATOM 1149 N PHE A 576 8.038 -23.661 -29.392 1.00 2.45 N ATOM 1150 CA PHE A 576 8.757 -24.367 -30.426 1.00 71.03 C ATOM 1151 C PHE A 576 7.972 -24.465 -31.713 1.00 73.30 C ATOM 1152 O PHE A 576 7.081 -25.290 -31.860 1.00 32.12 O ATOM 1153 CB PHE A 576 9.272 -25.729 -29.946 1.00 30.11 C ATOM 1154 CG PHE A 576 10.406 -25.616 -28.958 1.00 72.10 C ATOM 1155 CD1 PHE A 576 10.166 -25.323 -27.630 1.00 53.44 C ATOM 1156 CD2 PHE A 576 11.718 -25.785 -29.371 1.00 3.13 C ATOM 1157 CE1 PHE A 576 11.205 -25.203 -26.735 1.00 74.14 C ATOM 1158 CE2 PHE A 576 12.764 -25.665 -28.476 1.00 3.32 C ATOM 1159 CZ PHE A 576 12.505 -25.374 -27.154 1.00 43.54 C ATOM 0 H PHE A 576 7.677 -24.250 -28.642 1.00 2.45 H new ATOM 0 HA PHE A 576 9.638 -23.767 -30.655 1.00 71.03 H new ATOM 0 HB2 PHE A 576 8.451 -26.280 -29.487 1.00 30.11 H new ATOM 0 HB3 PHE A 576 9.604 -26.310 -30.807 1.00 30.11 H new ATOM 0 HD1 PHE A 576 9.150 -25.186 -27.289 1.00 53.44 H new ATOM 0 HD2 PHE A 576 11.926 -26.013 -30.406 1.00 3.13 H new ATOM 0 HE1 PHE A 576 10.999 -24.974 -25.700 1.00 74.14 H new ATOM 0 HE2 PHE A 576 13.782 -25.799 -28.812 1.00 3.32 H new ATOM 0 HZ PHE A 576 13.319 -25.281 -26.450 1.00 43.54 H new ATOM 1308 N CYS A 585 -2.585 -28.211 -26.431 1.00 25.41 N ATOM 1309 CA CYS A 585 -1.484 -27.854 -25.597 1.00 24.04 C ATOM 1310 C CYS A 585 -1.773 -26.553 -24.859 1.00 72.34 C ATOM 1311 O CYS A 585 -2.107 -25.542 -25.468 1.00 10.52 O ATOM 1312 CB CYS A 585 -0.239 -27.727 -26.461 1.00 31.32 C ATOM 1313 SG CYS A 585 0.156 -29.217 -27.396 1.00 60.10 S ATOM 0 HA CYS A 585 -1.323 -28.627 -24.845 1.00 24.04 H new ATOM 0 HB2 CYS A 585 -0.374 -26.899 -27.156 1.00 31.32 H new ATOM 0 HB3 CYS A 585 0.609 -27.474 -25.824 1.00 31.32 H new ATOM 0 HG CYS A 585 1.443 -29.298 -27.561 1.00 60.10 H new ATOM 1319 N SER A 586 -1.683 -26.598 -23.565 1.00 32.13 N ATOM 1320 CA SER A 586 -1.915 -25.462 -22.739 1.00 41.01 C ATOM 1321 C SER A 586 -1.021 -25.556 -21.522 1.00 24.02 C ATOM 1322 O SER A 586 -0.632 -26.663 -21.117 1.00 62.04 O ATOM 1323 CB SER A 586 -3.394 -25.408 -22.329 1.00 34.51 C ATOM 1324 OG SER A 586 -3.788 -26.611 -21.666 1.00 13.00 O ATOM 0 H SER A 586 -1.441 -27.443 -23.048 1.00 32.13 H new ATOM 0 HA SER A 586 -1.683 -24.547 -23.284 1.00 41.01 H new ATOM 0 HB2 SER A 586 -3.561 -24.555 -21.671 1.00 34.51 H new ATOM 0 HB3 SER A 586 -4.014 -25.256 -23.212 1.00 34.51 H new ATOM 0 HG SER A 586 -3.294 -27.369 -22.043 1.00 13.00 H new ATOM 1330 N PHE A 587 -0.666 -24.445 -20.981 1.00 4.42 N ATOM 1331 CA PHE A 587 0.109 -24.387 -19.787 1.00 23.01 C ATOM 1332 C PHE A 587 -0.266 -23.126 -19.054 1.00 71.11 C ATOM 1333 O PHE A 587 -1.081 -22.347 -19.543 1.00 1.15 O ATOM 1334 CB PHE A 587 1.626 -24.445 -20.084 1.00 25.10 C ATOM 1335 CG PHE A 587 2.213 -23.282 -20.855 1.00 11.11 C ATOM 1336 CD1 PHE A 587 2.261 -23.294 -22.237 1.00 20.34 C ATOM 1337 CD2 PHE A 587 2.753 -22.199 -20.185 1.00 60.41 C ATOM 1338 CE1 PHE A 587 2.829 -22.245 -22.930 1.00 55.13 C ATOM 1339 CE2 PHE A 587 3.323 -21.155 -20.870 1.00 54.13 C ATOM 1340 CZ PHE A 587 3.363 -21.176 -22.246 1.00 1.20 C ATOM 0 H PHE A 587 -0.910 -23.531 -21.362 1.00 4.42 H new ATOM 0 HA PHE A 587 -0.106 -25.256 -19.165 1.00 23.01 H new ATOM 0 HB2 PHE A 587 2.156 -24.526 -19.135 1.00 25.10 H new ATOM 0 HB3 PHE A 587 1.829 -25.360 -20.641 1.00 25.10 H new ATOM 0 HD1 PHE A 587 1.850 -24.133 -22.779 1.00 20.34 H new ATOM 0 HD2 PHE A 587 2.726 -22.174 -19.106 1.00 60.41 H new ATOM 0 HE1 PHE A 587 2.855 -22.262 -24.010 1.00 55.13 H new ATOM 0 HE2 PHE A 587 3.740 -20.318 -20.330 1.00 54.13 H new ATOM 0 HZ PHE A 587 3.812 -20.356 -22.787 1.00 1.20 H new ATOM 1350 N SER A 588 0.274 -22.913 -17.913 1.00 23.12 N ATOM 1351 CA SER A 588 -0.034 -21.733 -17.194 1.00 11.11 C ATOM 1352 C SER A 588 1.234 -21.058 -16.754 1.00 62.44 C ATOM 1353 O SER A 588 2.294 -21.633 -16.807 1.00 32.43 O ATOM 1354 CB SER A 588 -0.954 -22.049 -16.017 1.00 74.12 C ATOM 1355 OG SER A 588 -2.106 -22.748 -16.478 1.00 10.04 O ATOM 0 H SER A 588 0.934 -23.541 -17.454 1.00 23.12 H new ATOM 0 HA SER A 588 -0.571 -21.042 -17.844 1.00 11.11 H new ATOM 0 HB2 SER A 588 -0.423 -22.651 -15.280 1.00 74.12 H new ATOM 0 HB3 SER A 588 -1.252 -21.126 -15.519 1.00 74.12 H new ATOM 0 HG SER A 588 -2.692 -22.950 -15.719 1.00 10.04 H new ATOM 1361 N LEU A 589 1.123 -19.855 -16.385 1.00 54.31 N ATOM 1362 CA LEU A 589 2.206 -19.085 -15.916 1.00 72.44 C ATOM 1363 C LEU A 589 1.697 -18.283 -14.770 1.00 74.14 C ATOM 1364 O LEU A 589 0.648 -17.658 -14.873 1.00 11.14 O ATOM 1365 CB LEU A 589 2.717 -18.187 -17.048 1.00 24.30 C ATOM 1366 CG LEU A 589 3.797 -17.161 -16.703 1.00 32.12 C ATOM 1367 CD1 LEU A 589 5.008 -17.818 -16.099 1.00 21.21 C ATOM 1368 CD2 LEU A 589 4.201 -16.421 -17.940 1.00 55.31 C ATOM 0 H LEU A 589 0.238 -19.348 -16.399 1.00 54.31 H new ATOM 0 HA LEU A 589 3.041 -19.706 -15.592 1.00 72.44 H new ATOM 0 HB2 LEU A 589 3.104 -18.830 -17.838 1.00 24.30 H new ATOM 0 HB3 LEU A 589 1.864 -17.650 -17.463 1.00 24.30 H new ATOM 0 HG LEU A 589 3.382 -16.470 -15.970 1.00 32.12 H new ATOM 0 HD11 LEU A 589 5.755 -17.059 -15.866 1.00 21.21 H new ATOM 0 HD12 LEU A 589 4.722 -18.338 -15.185 1.00 21.21 H new ATOM 0 HD13 LEU A 589 5.426 -18.533 -16.808 1.00 21.21 H new ATOM 0 HD21 LEU A 589 4.971 -15.690 -17.692 1.00 55.31 H new ATOM 0 HD22 LEU A 589 4.593 -17.125 -18.674 1.00 55.31 H new ATOM 0 HD23 LEU A 589 3.334 -15.908 -18.356 1.00 55.31 H new ATOM 1380 N VAL A 590 2.363 -18.363 -13.676 1.00 0.41 N ATOM 1381 CA VAL A 590 1.965 -17.629 -12.514 1.00 45.32 C ATOM 1382 C VAL A 590 3.090 -16.747 -12.069 1.00 70.41 C ATOM 1383 O VAL A 590 4.268 -17.049 -12.332 1.00 23.41 O ATOM 1384 CB VAL A 590 1.538 -18.557 -11.340 1.00 3.33 C ATOM 1385 CG1 VAL A 590 0.303 -19.368 -11.703 1.00 21.31 C ATOM 1386 CG2 VAL A 590 2.679 -19.482 -10.929 1.00 23.43 C ATOM 0 H VAL A 590 3.198 -18.935 -13.553 1.00 0.41 H new ATOM 0 HA VAL A 590 1.096 -17.031 -12.789 1.00 45.32 H new ATOM 0 HB VAL A 590 1.291 -17.920 -10.491 1.00 3.33 H new ATOM 0 HG11 VAL A 590 0.028 -20.007 -10.864 1.00 21.31 H new ATOM 0 HG12 VAL A 590 -0.522 -18.693 -11.931 1.00 21.31 H new ATOM 0 HG13 VAL A 590 0.517 -19.986 -12.575 1.00 21.31 H new ATOM 0 HG21 VAL A 590 2.353 -20.119 -10.107 1.00 23.43 H new ATOM 0 HG22 VAL A 590 2.967 -20.103 -11.777 1.00 23.43 H new ATOM 0 HG23 VAL A 590 3.533 -18.886 -10.609 1.00 23.43 H new ATOM 1396 N LEU A 591 2.744 -15.662 -11.448 1.00 53.25 N ATOM 1397 CA LEU A 591 3.709 -14.775 -10.888 1.00 50.24 C ATOM 1398 C LEU A 591 3.931 -15.177 -9.461 1.00 42.22 C ATOM 1399 O LEU A 591 2.982 -15.538 -8.748 1.00 1.51 O ATOM 1400 CB LEU A 591 3.232 -13.332 -10.959 1.00 23.33 C ATOM 1401 CG LEU A 591 3.072 -12.726 -12.356 1.00 0.21 C ATOM 1402 CD1 LEU A 591 2.347 -11.395 -12.284 1.00 3.05 C ATOM 1403 CD2 LEU A 591 4.434 -12.535 -13.007 1.00 31.12 C ATOM 0 H LEU A 591 1.776 -15.367 -11.316 1.00 53.25 H new ATOM 0 HA LEU A 591 4.639 -14.839 -11.453 1.00 50.24 H new ATOM 0 HB2 LEU A 591 2.271 -13.266 -10.448 1.00 23.33 H new ATOM 0 HB3 LEU A 591 3.934 -12.714 -10.399 1.00 23.33 H new ATOM 0 HG LEU A 591 2.480 -13.414 -12.959 1.00 0.21 H new ATOM 0 HD11 LEU A 591 2.244 -10.982 -13.287 1.00 3.05 H new ATOM 0 HD12 LEU A 591 1.358 -11.542 -11.849 1.00 3.05 H new ATOM 0 HD13 LEU A 591 2.917 -10.703 -11.664 1.00 3.05 H new ATOM 0 HD21 LEU A 591 4.306 -12.103 -14.000 1.00 31.12 H new ATOM 0 HD22 LEU A 591 5.039 -11.865 -12.396 1.00 31.12 H new ATOM 0 HD23 LEU A 591 4.935 -13.499 -13.093 1.00 31.12 H new ATOM 1415 N GLU A 592 5.142 -15.138 -9.062 1.00 21.13 N ATOM 1416 CA GLU A 592 5.530 -15.512 -7.738 1.00 52.12 C ATOM 1417 C GLU A 592 5.700 -14.278 -6.915 1.00 53.45 C ATOM 1418 O GLU A 592 5.711 -13.173 -7.470 1.00 73.44 O ATOM 1419 CB GLU A 592 6.830 -16.297 -7.783 1.00 62.34 C ATOM 1420 CG GLU A 592 6.688 -17.673 -8.389 1.00 23.54 C ATOM 1421 CD GLU A 592 5.889 -18.592 -7.504 1.00 34.15 C ATOM 1422 OE1 GLU A 592 6.491 -19.267 -6.637 1.00 44.40 O ATOM 1423 OE2 GLU A 592 4.668 -18.680 -7.643 1.00 32.32 O ATOM 0 H GLU A 592 5.919 -14.840 -9.652 1.00 21.13 H new ATOM 0 HA GLU A 592 4.760 -16.142 -7.292 1.00 52.12 H new ATOM 0 HB2 GLU A 592 7.566 -15.732 -8.355 1.00 62.34 H new ATOM 0 HB3 GLU A 592 7.221 -16.394 -6.770 1.00 62.34 H new ATOM 0 HG2 GLU A 592 6.204 -17.594 -9.362 1.00 23.54 H new ATOM 0 HG3 GLU A 592 7.677 -18.100 -8.558 1.00 23.54 H new ATOM 1430 N GLU A 593 5.807 -14.464 -5.610 1.00 41.15 N ATOM 1431 CA GLU A 593 5.980 -13.376 -4.673 1.00 71.13 C ATOM 1432 C GLU A 593 7.215 -12.565 -5.062 1.00 71.15 C ATOM 1433 O GLU A 593 8.331 -13.094 -5.051 1.00 30.32 O ATOM 1434 CB GLU A 593 6.166 -13.923 -3.250 1.00 34.43 C ATOM 1435 CG GLU A 593 6.068 -12.859 -2.164 1.00 45.15 C ATOM 1436 CD GLU A 593 4.651 -12.375 -1.965 1.00 42.10 C ATOM 1437 OE1 GLU A 593 3.989 -11.989 -2.936 1.00 34.53 O ATOM 1438 OE2 GLU A 593 4.169 -12.399 -0.820 1.00 45.13 O ATOM 0 H GLU A 593 5.775 -15.384 -5.171 1.00 41.15 H new ATOM 0 HA GLU A 593 5.093 -12.743 -4.699 1.00 71.13 H new ATOM 0 HB2 GLU A 593 5.413 -14.689 -3.064 1.00 34.43 H new ATOM 0 HB3 GLU A 593 7.139 -14.409 -3.182 1.00 34.43 H new ATOM 0 HG2 GLU A 593 6.447 -13.264 -1.226 1.00 45.15 H new ATOM 0 HG3 GLU A 593 6.705 -12.014 -2.427 1.00 45.15 H new ATOM 1445 N PRO A 594 7.042 -11.307 -5.446 1.00 60.23 N ATOM 1446 CA PRO A 594 8.141 -10.485 -5.841 1.00 0.51 C ATOM 1447 C PRO A 594 8.929 -10.001 -4.641 1.00 70.12 C ATOM 1448 O PRO A 594 8.368 -9.699 -3.578 1.00 72.11 O ATOM 1449 CB PRO A 594 7.498 -9.327 -6.586 1.00 5.32 C ATOM 1450 CG PRO A 594 6.107 -9.243 -6.062 1.00 32.03 C ATOM 1451 CD PRO A 594 5.757 -10.594 -5.509 1.00 32.02 C ATOM 0 HA PRO A 594 8.859 -11.025 -6.458 1.00 0.51 H new ATOM 0 HB2 PRO A 594 8.040 -8.398 -6.411 1.00 5.32 H new ATOM 0 HB3 PRO A 594 7.503 -9.501 -7.662 1.00 5.32 H new ATOM 0 HG2 PRO A 594 6.033 -8.480 -5.287 1.00 32.03 H new ATOM 0 HG3 PRO A 594 5.414 -8.961 -6.855 1.00 32.03 H new ATOM 0 HD2 PRO A 594 5.298 -10.513 -4.523 1.00 32.02 H new ATOM 0 HD3 PRO A 594 5.045 -11.114 -6.150 1.00 32.02 H new ATOM 1459 N LYS A 595 10.201 -9.935 -4.794 1.00 53.52 N ATOM 1460 CA LYS A 595 11.044 -9.532 -3.715 1.00 21.12 C ATOM 1461 C LYS A 595 11.631 -8.185 -3.987 1.00 4.05 C ATOM 1462 O LYS A 595 12.122 -7.912 -5.099 1.00 44.42 O ATOM 1463 CB LYS A 595 12.109 -10.588 -3.375 1.00 63.24 C ATOM 1464 CG LYS A 595 13.009 -11.022 -4.524 1.00 14.30 C ATOM 1465 CD LYS A 595 14.001 -12.063 -4.040 1.00 42.24 C ATOM 1466 CE LYS A 595 14.894 -12.578 -5.148 1.00 3.12 C ATOM 1467 NZ LYS A 595 15.856 -13.579 -4.641 1.00 45.52 N ATOM 0 H LYS A 595 10.690 -10.156 -5.661 1.00 53.52 H new ATOM 0 HA LYS A 595 10.427 -9.448 -2.821 1.00 21.12 H new ATOM 0 HB2 LYS A 595 12.738 -10.197 -2.575 1.00 63.24 H new ATOM 0 HB3 LYS A 595 11.605 -11.470 -2.981 1.00 63.24 H new ATOM 0 HG2 LYS A 595 12.406 -11.431 -5.335 1.00 14.30 H new ATOM 0 HG3 LYS A 595 13.541 -10.160 -4.926 1.00 14.30 H new ATOM 0 HD2 LYS A 595 14.618 -11.632 -3.252 1.00 42.24 H new ATOM 0 HD3 LYS A 595 13.458 -12.899 -3.598 1.00 42.24 H new ATOM 0 HE2 LYS A 595 14.283 -13.023 -5.933 1.00 3.12 H new ATOM 0 HE3 LYS A 595 15.435 -11.746 -5.598 1.00 3.12 H new ATOM 0 HZ1 LYS A 595 16.454 -13.913 -5.424 1.00 45.52 H new ATOM 0 HZ2 LYS A 595 16.454 -13.146 -3.909 1.00 45.52 H new ATOM 0 HZ3 LYS A 595 15.338 -14.383 -4.233 1.00 45.52 H new ATOM 1481 N TRP A 596 11.552 -7.340 -3.006 1.00 65.45 N ATOM 1482 CA TRP A 596 12.008 -5.997 -3.136 1.00 73.22 C ATOM 1483 C TRP A 596 13.484 -5.992 -2.848 1.00 54.43 C ATOM 1484 O TRP A 596 13.916 -6.371 -1.751 1.00 43.31 O ATOM 1485 CB TRP A 596 11.277 -5.094 -2.122 1.00 5.43 C ATOM 1486 CG TRP A 596 11.333 -3.610 -2.418 1.00 2.41 C ATOM 1487 CD1 TRP A 596 12.406 -2.886 -2.851 1.00 35.14 C ATOM 1488 CD2 TRP A 596 10.254 -2.668 -2.273 1.00 14.24 C ATOM 1489 NE1 TRP A 596 12.058 -1.567 -2.994 1.00 31.00 N ATOM 1490 CE2 TRP A 596 10.748 -1.408 -2.644 1.00 70.33 C ATOM 1491 CE3 TRP A 596 8.918 -2.772 -1.865 1.00 63.31 C ATOM 1492 CZ2 TRP A 596 9.956 -0.260 -2.626 1.00 21.03 C ATOM 1493 CZ3 TRP A 596 8.136 -1.634 -1.849 1.00 24.31 C ATOM 1494 CH2 TRP A 596 8.658 -0.393 -2.226 1.00 52.34 C ATOM 0 H TRP A 596 11.167 -7.567 -2.089 1.00 65.45 H new ATOM 0 HA TRP A 596 11.808 -5.619 -4.139 1.00 73.22 H new ATOM 0 HB2 TRP A 596 10.232 -5.399 -2.076 1.00 5.43 H new ATOM 0 HB3 TRP A 596 11.703 -5.267 -1.134 1.00 5.43 H new ATOM 0 HD1 TRP A 596 13.386 -3.292 -3.052 1.00 35.14 H new ATOM 0 HE1 TRP A 596 12.679 -0.823 -3.311 1.00 31.00 H new ATOM 0 HE3 TRP A 596 8.507 -3.726 -1.568 1.00 63.31 H new ATOM 0 HZ2 TRP A 596 10.356 0.700 -2.918 1.00 21.03 H new ATOM 0 HZ3 TRP A 596 7.104 -1.704 -1.540 1.00 24.31 H new ATOM 0 HH2 TRP A 596 8.021 0.479 -2.200 1.00 52.34 H new ATOM 1505 N ILE A 597 14.259 -5.600 -3.806 1.00 52.15 N ATOM 1506 CA ILE A 597 15.651 -5.504 -3.595 1.00 54.44 C ATOM 1507 C ILE A 597 15.890 -4.136 -3.031 1.00 24.12 C ATOM 1508 O ILE A 597 16.059 -3.147 -3.753 1.00 65.12 O ATOM 1509 CB ILE A 597 16.463 -5.718 -4.903 1.00 54.31 C ATOM 1510 CG1 ILE A 597 16.083 -7.054 -5.560 1.00 32.44 C ATOM 1511 CG2 ILE A 597 17.966 -5.655 -4.643 1.00 13.34 C ATOM 1512 CD1 ILE A 597 16.239 -8.274 -4.666 1.00 53.34 C ATOM 0 H ILE A 597 13.943 -5.342 -4.741 1.00 52.15 H new ATOM 0 HA ILE A 597 15.988 -6.286 -2.915 1.00 54.44 H new ATOM 0 HB ILE A 597 16.211 -4.908 -5.588 1.00 54.31 H new ATOM 0 HG12 ILE A 597 15.047 -6.996 -5.894 1.00 32.44 H new ATOM 0 HG13 ILE A 597 16.697 -7.193 -6.450 1.00 32.44 H new ATOM 0 HG21 ILE A 597 18.504 -5.809 -5.579 1.00 13.34 H new ATOM 0 HG22 ILE A 597 18.224 -4.679 -4.232 1.00 13.34 H new ATOM 0 HG23 ILE A 597 18.245 -6.433 -3.932 1.00 13.34 H new ATOM 0 HD11 ILE A 597 15.947 -9.168 -5.217 1.00 53.34 H new ATOM 0 HD12 ILE A 597 17.279 -8.364 -4.352 1.00 53.34 H new ATOM 0 HD13 ILE A 597 15.603 -8.165 -3.788 1.00 53.34 H new ATOM 2107 N ILE A 634 3.729 -6.965 -4.260 1.00 74.51 N ATOM 2108 CA ILE A 634 2.823 -8.077 -4.346 1.00 11.53 C ATOM 2109 C ILE A 634 2.261 -8.225 -5.733 1.00 12.05 C ATOM 2110 O ILE A 634 2.553 -7.439 -6.643 1.00 63.13 O ATOM 2111 CB ILE A 634 1.621 -7.992 -3.328 1.00 40.11 C ATOM 2112 CG1 ILE A 634 0.712 -6.731 -3.515 1.00 55.15 C ATOM 2113 CG2 ILE A 634 2.103 -8.103 -1.903 1.00 30.42 C ATOM 2114 CD1 ILE A 634 1.338 -5.391 -3.162 1.00 64.03 C ATOM 0 HA ILE A 634 3.426 -8.947 -4.087 1.00 11.53 H new ATOM 0 HB ILE A 634 0.987 -8.849 -3.556 1.00 40.11 H new ATOM 0 HG12 ILE A 634 0.388 -6.694 -4.555 1.00 55.15 H new ATOM 0 HG13 ILE A 634 -0.183 -6.861 -2.907 1.00 55.15 H new ATOM 0 HG21 ILE A 634 1.252 -8.041 -1.225 1.00 30.42 H new ATOM 0 HG22 ILE A 634 2.609 -9.058 -1.763 1.00 30.42 H new ATOM 0 HG23 ILE A 634 2.797 -7.290 -1.689 1.00 30.42 H new ATOM 0 HD11 ILE A 634 0.613 -4.595 -3.332 1.00 64.03 H new ATOM 0 HD12 ILE A 634 1.635 -5.393 -2.113 1.00 64.03 H new ATOM 0 HD13 ILE A 634 2.215 -5.223 -3.787 1.00 64.03 H new ATOM 2126 N LEU A 635 1.476 -9.232 -5.897 1.00 21.42 N ATOM 2127 CA LEU A 635 0.779 -9.440 -7.121 1.00 24.31 C ATOM 2128 C LEU A 635 -0.623 -8.923 -6.934 1.00 54.13 C ATOM 2129 O LEU A 635 -0.962 -8.436 -5.848 1.00 72.11 O ATOM 2130 CB LEU A 635 0.753 -10.927 -7.549 1.00 32.42 C ATOM 2131 CG LEU A 635 2.104 -11.625 -7.807 1.00 41.05 C ATOM 2132 CD1 LEU A 635 3.055 -10.748 -8.604 1.00 64.12 C ATOM 2133 CD2 LEU A 635 2.743 -12.120 -6.531 1.00 63.41 C ATOM 0 H LEU A 635 1.297 -9.939 -5.183 1.00 21.42 H new ATOM 0 HA LEU A 635 1.296 -8.908 -7.919 1.00 24.31 H new ATOM 0 HB2 LEU A 635 0.228 -11.489 -6.776 1.00 32.42 H new ATOM 0 HB3 LEU A 635 0.158 -11.003 -8.459 1.00 32.42 H new ATOM 0 HG LEU A 635 1.888 -12.502 -8.416 1.00 41.05 H new ATOM 0 HD11 LEU A 635 3.994 -11.279 -8.762 1.00 64.12 H new ATOM 0 HD12 LEU A 635 2.607 -10.508 -9.568 1.00 64.12 H new ATOM 0 HD13 LEU A 635 3.248 -9.827 -8.054 1.00 64.12 H new ATOM 0 HD21 LEU A 635 3.692 -12.604 -6.763 1.00 63.41 H new ATOM 0 HD22 LEU A 635 2.920 -11.278 -5.862 1.00 63.41 H new ATOM 0 HD23 LEU A 635 2.080 -12.836 -6.046 1.00 63.41 H new ATOM 2145 N GLY A 636 -1.428 -8.999 -7.954 1.00 65.42 N ATOM 2146 CA GLY A 636 -2.783 -8.531 -7.835 1.00 41.43 C ATOM 2147 C GLY A 636 -3.687 -9.509 -7.102 1.00 22.14 C ATOM 2148 O GLY A 636 -3.223 -10.332 -6.291 1.00 11.44 O ATOM 0 H GLY A 636 -1.177 -9.375 -8.868 1.00 65.42 H new ATOM 0 HA2 GLY A 636 -2.787 -7.577 -7.309 1.00 41.43 H new ATOM 0 HA3 GLY A 636 -3.187 -8.348 -8.831 1.00 41.43 H new ATOM 2152 N GLU A 637 -4.952 -9.415 -7.396 1.00 41.44 N ATOM 2153 CA GLU A 637 -5.997 -10.221 -6.790 1.00 75.21 C ATOM 2154 C GLU A 637 -5.778 -11.702 -7.111 1.00 1.11 C ATOM 2155 O GLU A 637 -5.460 -12.498 -6.232 1.00 30.13 O ATOM 2156 CB GLU A 637 -7.329 -9.722 -7.333 1.00 70.42 C ATOM 2157 CG GLU A 637 -8.557 -10.300 -6.692 1.00 11.00 C ATOM 2158 CD GLU A 637 -9.785 -9.682 -7.275 1.00 12.35 C ATOM 2159 OE1 GLU A 637 -10.252 -10.150 -8.325 1.00 74.10 O ATOM 2160 OE2 GLU A 637 -10.275 -8.681 -6.732 1.00 72.32 O ATOM 0 H GLU A 637 -5.307 -8.754 -8.088 1.00 41.44 H new ATOM 0 HA GLU A 637 -5.983 -10.128 -5.704 1.00 75.21 H new ATOM 0 HB2 GLU A 637 -7.361 -8.638 -7.222 1.00 70.42 H new ATOM 0 HB3 GLU A 637 -7.366 -9.935 -8.401 1.00 70.42 H new ATOM 0 HG2 GLU A 637 -8.579 -11.380 -6.841 1.00 11.00 H new ATOM 0 HG3 GLU A 637 -8.530 -10.127 -5.616 1.00 11.00 H new ATOM 2167 N HIS A 638 -5.938 -12.056 -8.357 1.00 25.51 N ATOM 2168 CA HIS A 638 -5.697 -13.401 -8.832 1.00 3.22 C ATOM 2169 C HIS A 638 -4.995 -13.246 -10.141 1.00 0.41 C ATOM 2170 O HIS A 638 -5.537 -12.615 -11.057 1.00 42.13 O ATOM 2171 CB HIS A 638 -7.020 -14.177 -9.042 1.00 42.54 C ATOM 2172 CG HIS A 638 -7.915 -14.184 -7.844 1.00 42.13 C ATOM 2173 ND1 HIS A 638 -9.149 -13.589 -7.812 1.00 50.23 N ATOM 2174 CD2 HIS A 638 -7.706 -14.677 -6.611 1.00 33.40 C ATOM 2175 CE1 HIS A 638 -9.640 -13.719 -6.587 1.00 41.10 C ATOM 2176 NE2 HIS A 638 -8.805 -14.385 -5.807 1.00 43.55 N ATOM 0 H HIS A 638 -6.244 -11.412 -9.086 1.00 25.51 H new ATOM 0 HA HIS A 638 -5.112 -13.966 -8.106 1.00 3.22 H new ATOM 0 HB2 HIS A 638 -7.558 -13.738 -9.882 1.00 42.54 H new ATOM 0 HB3 HIS A 638 -6.787 -15.206 -9.315 1.00 42.54 H new ATOM 0 HD2 HIS A 638 -6.825 -15.215 -6.294 1.00 33.40 H new ATOM 0 HE1 HIS A 638 -10.596 -13.332 -6.268 1.00 41.10 H new ATOM 0 HE2 HIS A 638 -8.938 -14.632 -4.826 1.00 43.55 H new ATOM 2184 N THR A 639 -3.809 -13.752 -10.247 1.00 54.12 N ATOM 2185 CA THR A 639 -3.074 -13.541 -11.436 1.00 32.44 C ATOM 2186 C THR A 639 -2.419 -14.852 -11.916 1.00 2.40 C ATOM 2187 O THR A 639 -1.551 -15.447 -11.249 1.00 5.05 O ATOM 2188 CB THR A 639 -2.054 -12.353 -11.244 1.00 23.01 C ATOM 2189 OG1 THR A 639 -1.608 -11.845 -12.495 1.00 0.53 O ATOM 2190 CG2 THR A 639 -0.848 -12.726 -10.378 1.00 72.31 C ATOM 0 H THR A 639 -3.339 -14.306 -9.531 1.00 54.12 H new ATOM 0 HA THR A 639 -3.751 -13.239 -12.235 1.00 32.44 H new ATOM 0 HB THR A 639 -2.606 -11.576 -10.715 1.00 23.01 H new ATOM 0 HG1 THR A 639 -1.207 -12.570 -13.018 1.00 0.53 H new ATOM 0 HG21 THR A 639 -0.186 -11.865 -10.286 1.00 72.31 H new ATOM 0 HG22 THR A 639 -1.190 -13.028 -9.388 1.00 72.31 H new ATOM 0 HG23 THR A 639 -0.308 -13.551 -10.843 1.00 72.31 H new ATOM 2198 N LYS A 640 -2.932 -15.349 -13.007 1.00 2.00 N ATOM 2199 CA LYS A 640 -2.418 -16.510 -13.653 1.00 44.45 C ATOM 2200 C LYS A 640 -2.652 -16.339 -15.121 1.00 45.22 C ATOM 2201 O LYS A 640 -3.699 -15.846 -15.515 1.00 14.02 O ATOM 2202 CB LYS A 640 -3.084 -17.787 -13.129 1.00 74.52 C ATOM 2203 CG LYS A 640 -2.554 -19.074 -13.762 1.00 73.53 C ATOM 2204 CD LYS A 640 -3.103 -20.313 -13.073 1.00 54.33 C ATOM 2205 CE LYS A 640 -4.604 -20.405 -13.209 1.00 60.42 C ATOM 2206 NZ LYS A 640 -5.146 -21.609 -12.553 1.00 22.24 N ATOM 0 H LYS A 640 -3.740 -14.942 -13.478 1.00 2.00 H new ATOM 0 HA LYS A 640 -1.353 -16.617 -13.445 1.00 44.45 H new ATOM 0 HB2 LYS A 640 -2.942 -17.841 -12.050 1.00 74.52 H new ATOM 0 HB3 LYS A 640 -4.158 -17.723 -13.307 1.00 74.52 H new ATOM 0 HG2 LYS A 640 -2.823 -19.097 -14.818 1.00 73.53 H new ATOM 0 HG3 LYS A 640 -1.465 -19.082 -13.710 1.00 73.53 H new ATOM 0 HD2 LYS A 640 -2.643 -21.203 -13.502 1.00 54.33 H new ATOM 0 HD3 LYS A 640 -2.833 -20.293 -12.017 1.00 54.33 H new ATOM 0 HE2 LYS A 640 -5.062 -19.517 -12.773 1.00 60.42 H new ATOM 0 HE3 LYS A 640 -4.872 -20.416 -14.265 1.00 60.42 H new ATOM 0 HZ1 LYS A 640 -6.179 -21.633 -12.670 1.00 22.24 H new ATOM 0 HZ2 LYS A 640 -4.729 -22.458 -12.986 1.00 22.24 H new ATOM 0 HZ3 LYS A 640 -4.913 -21.587 -11.540 1.00 22.24 H new ATOM 2220 N LEU A 641 -1.694 -16.686 -15.906 1.00 14.34 N ATOM 2221 CA LEU A 641 -1.808 -16.561 -17.322 1.00 1.03 C ATOM 2222 C LEU A 641 -1.816 -17.954 -17.892 1.00 70.04 C ATOM 2223 O LEU A 641 -0.836 -18.676 -17.790 1.00 10.11 O ATOM 2224 CB LEU A 641 -0.593 -15.804 -17.860 1.00 51.11 C ATOM 2225 CG LEU A 641 -0.713 -15.064 -19.201 1.00 62.03 C ATOM 2226 CD1 LEU A 641 0.510 -15.265 -20.042 1.00 35.31 C ATOM 2227 CD2 LEU A 641 -1.983 -15.377 -19.961 1.00 62.20 C ATOM 0 H LEU A 641 -0.804 -17.067 -15.586 1.00 14.34 H new ATOM 0 HA LEU A 641 -2.714 -16.021 -17.596 1.00 1.03 H new ATOM 0 HB2 LEU A 641 -0.299 -15.074 -17.106 1.00 51.11 H new ATOM 0 HB3 LEU A 641 0.226 -16.517 -17.949 1.00 51.11 H new ATOM 0 HG LEU A 641 -0.784 -14.004 -18.955 1.00 62.03 H new ATOM 0 HD11 LEU A 641 0.396 -14.730 -20.984 1.00 35.31 H new ATOM 0 HD12 LEU A 641 1.383 -14.884 -19.512 1.00 35.31 H new ATOM 0 HD13 LEU A 641 0.643 -16.328 -20.243 1.00 35.31 H new ATOM 0 HD21 LEU A 641 -1.995 -14.817 -20.896 1.00 62.20 H new ATOM 0 HD22 LEU A 641 -2.024 -16.445 -20.177 1.00 62.20 H new ATOM 0 HD23 LEU A 641 -2.846 -15.095 -19.358 1.00 62.20 H new ATOM 2239 N GLU A 642 -2.909 -18.346 -18.415 1.00 0.04 N ATOM 2240 CA GLU A 642 -3.007 -19.612 -19.041 1.00 64.33 C ATOM 2241 C GLU A 642 -2.787 -19.445 -20.516 1.00 3.11 C ATOM 2242 O GLU A 642 -3.463 -18.658 -21.177 1.00 1.51 O ATOM 2243 CB GLU A 642 -4.328 -20.268 -18.713 1.00 53.14 C ATOM 2244 CG GLU A 642 -4.490 -20.472 -17.218 1.00 4.51 C ATOM 2245 CD GLU A 642 -5.743 -21.180 -16.846 1.00 74.23 C ATOM 2246 OE1 GLU A 642 -5.724 -22.414 -16.746 1.00 40.40 O ATOM 2247 OE2 GLU A 642 -6.753 -20.524 -16.597 1.00 72.24 O ATOM 0 H GLU A 642 -3.770 -17.799 -18.424 1.00 0.04 H new ATOM 0 HA GLU A 642 -2.235 -20.282 -18.662 1.00 64.33 H new ATOM 0 HB2 GLU A 642 -5.145 -19.651 -19.088 1.00 53.14 H new ATOM 0 HB3 GLU A 642 -4.395 -21.230 -19.222 1.00 53.14 H new ATOM 0 HG2 GLU A 642 -3.638 -21.038 -16.843 1.00 4.51 H new ATOM 0 HG3 GLU A 642 -4.471 -19.501 -16.723 1.00 4.51 H new ATOM 2254 N VAL A 643 -1.815 -20.135 -21.009 1.00 23.34 N ATOM 2255 CA VAL A 643 -1.407 -20.024 -22.379 1.00 14.52 C ATOM 2256 C VAL A 643 -1.755 -21.290 -23.099 1.00 73.43 C ATOM 2257 O VAL A 643 -1.378 -22.382 -22.675 1.00 75.34 O ATOM 2258 CB VAL A 643 0.116 -19.763 -22.505 1.00 64.23 C ATOM 2259 CG1 VAL A 643 0.523 -19.535 -23.951 1.00 13.51 C ATOM 2260 CG2 VAL A 643 0.559 -18.597 -21.638 1.00 14.33 C ATOM 0 H VAL A 643 -1.269 -20.805 -20.467 1.00 23.34 H new ATOM 0 HA VAL A 643 -1.930 -19.176 -22.821 1.00 14.52 H new ATOM 0 HB VAL A 643 0.622 -20.659 -22.146 1.00 64.23 H new ATOM 0 HG11 VAL A 643 1.597 -19.355 -24.003 1.00 13.51 H new ATOM 0 HG12 VAL A 643 0.274 -20.416 -24.542 1.00 13.51 H new ATOM 0 HG13 VAL A 643 -0.009 -18.670 -24.347 1.00 13.51 H new ATOM 0 HG21 VAL A 643 1.632 -18.445 -21.753 1.00 14.33 H new ATOM 0 HG22 VAL A 643 0.030 -17.695 -21.944 1.00 14.33 H new ATOM 0 HG23 VAL A 643 0.333 -18.814 -20.594 1.00 14.33 H new ATOM 2270 N ILE A 644 -2.473 -21.147 -24.156 1.00 23.13 N ATOM 2271 CA ILE A 644 -2.907 -22.249 -24.934 1.00 52.33 C ATOM 2272 C ILE A 644 -2.282 -22.113 -26.309 1.00 12.41 C ATOM 2273 O ILE A 644 -2.190 -21.005 -26.833 1.00 63.41 O ATOM 2274 CB ILE A 644 -4.454 -22.302 -25.048 1.00 25.22 C ATOM 2275 CG1 ILE A 644 -5.138 -22.381 -23.659 1.00 74.22 C ATOM 2276 CG2 ILE A 644 -4.887 -23.483 -25.899 1.00 71.23 C ATOM 2277 CD1 ILE A 644 -5.287 -21.064 -22.919 1.00 72.42 C ATOM 0 H ILE A 644 -2.781 -20.241 -24.510 1.00 23.13 H new ATOM 0 HA ILE A 644 -2.597 -23.177 -24.454 1.00 52.33 H new ATOM 0 HB ILE A 644 -4.770 -21.374 -25.526 1.00 25.22 H new ATOM 0 HG12 ILE A 644 -6.128 -22.818 -23.787 1.00 74.22 H new ATOM 0 HG13 ILE A 644 -4.566 -23.065 -23.032 1.00 74.22 H new ATOM 0 HG21 ILE A 644 -5.975 -23.503 -25.967 1.00 71.23 H new ATOM 0 HG22 ILE A 644 -4.463 -23.386 -26.898 1.00 71.23 H new ATOM 0 HG23 ILE A 644 -4.535 -24.408 -25.443 1.00 71.23 H new ATOM 0 HD11 ILE A 644 -5.778 -21.238 -21.961 1.00 72.42 H new ATOM 0 HD12 ILE A 644 -4.302 -20.629 -22.748 1.00 72.42 H new ATOM 0 HD13 ILE A 644 -5.888 -20.378 -23.515 1.00 72.42 H new ATOM 2289 N ILE A 645 -1.831 -23.203 -26.874 1.00 65.42 N ATOM 2290 CA ILE A 645 -1.139 -23.156 -28.140 1.00 1.32 C ATOM 2291 C ILE A 645 -2.028 -23.737 -29.223 1.00 72.14 C ATOM 2292 O ILE A 645 -2.697 -24.756 -28.989 1.00 51.21 O ATOM 2293 CB ILE A 645 0.204 -23.960 -28.146 1.00 63.25 C ATOM 2294 CG1 ILE A 645 0.724 -24.323 -26.720 1.00 35.32 C ATOM 2295 CG2 ILE A 645 1.256 -23.168 -28.898 1.00 5.34 C ATOM 2296 CD1 ILE A 645 1.064 -23.161 -25.809 1.00 74.04 C ATOM 0 H ILE A 645 -1.930 -24.138 -26.478 1.00 65.42 H new ATOM 0 HA ILE A 645 -0.905 -22.107 -28.320 1.00 1.32 H new ATOM 0 HB ILE A 645 0.004 -24.909 -28.644 1.00 63.25 H new ATOM 0 HG12 ILE A 645 -0.032 -24.934 -26.226 1.00 35.32 H new ATOM 0 HG13 ILE A 645 1.614 -24.943 -26.829 1.00 35.32 H new ATOM 0 HG21 ILE A 645 2.194 -23.724 -28.905 1.00 5.34 H new ATOM 0 HG22 ILE A 645 0.924 -23.003 -29.923 1.00 5.34 H new ATOM 0 HG23 ILE A 645 1.408 -22.207 -28.407 1.00 5.34 H new ATOM 0 HD11 ILE A 645 1.413 -23.541 -24.849 1.00 74.04 H new ATOM 0 HD12 ILE A 645 1.847 -22.557 -26.267 1.00 74.04 H new ATOM 0 HD13 ILE A 645 0.176 -22.548 -25.655 1.00 74.04 H new