USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 675 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -2:sc= 0.647 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 152:sc= -0.259 (180deg=-1.03) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.0125 K(o=-0.012,f=-1.3) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.144 X(o=-0.14,f=-0.14) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HD1:sc= -0.176 X(o=-0.18,f=0.02) USER MOD Single : A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -4.57! C(o=-4.6!,f=-4.3!) USER MOD Single : A 51 ASN : amide:sc= -0.86 X(o=-0.86,f=-0.54) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.16 USER MOD Single : A 60 THR OG1 : rot -20:sc= 0.208 USER MOD Single : A 63 GLN : amide:sc= -0.0698 K(o=-0.07,f=-1.5!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -5.64! C(o=-5.6!,f=-18!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 82 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot -52:sc= 0.315 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 42:sc= 0.269 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.521 -32.943 26.347 1.00 0.00 N ATOM 2 CA GLY A 1 19.768 -31.707 26.237 1.00 0.00 C ATOM 3 C GLY A 1 19.461 -31.341 24.798 1.00 0.00 C ATOM 4 O GLY A 1 18.893 -32.140 24.055 1.00 0.00 O ATOM 0 H1 GLY A 1 20.705 -33.149 27.350 1.00 0.00 H new ATOM 0 H2 GLY A 1 19.973 -33.722 25.928 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.425 -32.845 25.842 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.834 -31.803 26.791 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.333 -30.899 26.702 1.00 0.00 H new ATOM 8 N SER A 2 19.836 -30.128 24.405 1.00 0.00 N ATOM 9 CA SER A 2 19.593 -29.655 23.048 1.00 0.00 C ATOM 10 C SER A 2 18.167 -29.975 22.608 1.00 0.00 C ATOM 11 O SER A 2 17.935 -30.393 21.475 1.00 0.00 O ATOM 12 CB SER A 2 20.591 -30.288 22.078 1.00 0.00 C ATOM 13 OG SER A 2 20.359 -31.679 21.942 1.00 0.00 O ATOM 0 H SER A 2 20.309 -29.455 25.008 1.00 0.00 H new ATOM 0 HA SER A 2 19.724 -28.573 23.038 1.00 0.00 H new ATOM 0 HB2 SER A 2 20.511 -29.806 21.104 1.00 0.00 H new ATOM 0 HB3 SER A 2 21.607 -30.119 22.435 1.00 0.00 H new ATOM 0 HG SER A 2 19.627 -31.948 22.535 1.00 0.00 H new ATOM 19 N SER A 3 17.215 -29.773 23.515 1.00 0.00 N ATOM 20 CA SER A 3 15.813 -30.044 23.224 1.00 0.00 C ATOM 21 C SER A 3 15.254 -29.016 22.245 1.00 0.00 C ATOM 22 O SER A 3 15.918 -28.038 21.907 1.00 0.00 O ATOM 23 CB SER A 3 14.992 -30.035 24.515 1.00 0.00 C ATOM 24 OG SER A 3 14.720 -28.710 24.937 1.00 0.00 O ATOM 0 H SER A 3 17.390 -29.423 24.457 1.00 0.00 H new ATOM 0 HA SER A 3 15.746 -31.031 22.766 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.055 -30.569 24.358 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.534 -30.565 25.298 1.00 0.00 H new ATOM 0 HG SER A 3 14.193 -28.731 25.763 1.00 0.00 H new ATOM 30 N GLY A 4 14.025 -29.247 21.791 1.00 0.00 N ATOM 31 CA GLY A 4 13.396 -28.334 20.855 1.00 0.00 C ATOM 32 C GLY A 4 13.121 -28.980 19.512 1.00 0.00 C ATOM 33 O GLY A 4 13.827 -29.901 19.102 1.00 0.00 O ATOM 0 H GLY A 4 13.454 -30.050 22.055 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.460 -27.972 21.279 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.038 -27.465 20.712 1.00 0.00 H new ATOM 37 N SER A 5 12.089 -28.498 18.824 1.00 0.00 N ATOM 38 CA SER A 5 11.719 -29.038 17.522 1.00 0.00 C ATOM 39 C SER A 5 12.404 -28.267 16.399 1.00 0.00 C ATOM 40 O SER A 5 12.605 -27.056 16.496 1.00 0.00 O ATOM 41 CB SER A 5 10.200 -28.987 17.339 1.00 0.00 C ATOM 42 OG SER A 5 9.776 -27.691 16.955 1.00 0.00 O ATOM 0 H SER A 5 11.495 -27.735 19.148 1.00 0.00 H new ATOM 0 HA SER A 5 12.049 -30.076 17.479 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.897 -29.711 16.583 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.709 -29.273 18.269 1.00 0.00 H new ATOM 0 HG SER A 5 8.802 -27.685 16.843 1.00 0.00 H new ATOM 48 N SER A 6 12.760 -28.977 15.333 1.00 0.00 N ATOM 49 CA SER A 6 13.427 -28.360 14.192 1.00 0.00 C ATOM 50 C SER A 6 12.497 -28.306 12.985 1.00 0.00 C ATOM 51 O SER A 6 11.817 -29.280 12.666 1.00 0.00 O ATOM 52 CB SER A 6 14.697 -29.135 13.837 1.00 0.00 C ATOM 53 OG SER A 6 15.563 -29.234 14.955 1.00 0.00 O ATOM 0 H SER A 6 12.598 -29.979 15.236 1.00 0.00 H new ATOM 0 HA SER A 6 13.697 -27.341 14.467 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.432 -30.133 13.489 1.00 0.00 H new ATOM 0 HB3 SER A 6 15.213 -28.637 13.016 1.00 0.00 H new ATOM 0 HG SER A 6 16.367 -29.735 14.703 1.00 0.00 H new ATOM 59 N GLY A 7 12.474 -27.157 12.315 1.00 0.00 N ATOM 60 CA GLY A 7 11.624 -26.996 11.150 1.00 0.00 C ATOM 61 C GLY A 7 11.549 -25.555 10.682 1.00 0.00 C ATOM 62 O GLY A 7 12.066 -24.653 11.342 1.00 0.00 O ATOM 0 H GLY A 7 13.028 -26.336 12.558 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.002 -27.619 10.339 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.621 -27.352 11.384 1.00 0.00 H new ATOM 66 N LYS A 8 10.905 -25.338 9.540 1.00 0.00 N ATOM 67 CA LYS A 8 10.764 -23.999 8.984 1.00 0.00 C ATOM 68 C LYS A 8 9.399 -23.822 8.327 1.00 0.00 C ATOM 69 O LYS A 8 8.764 -24.784 7.891 1.00 0.00 O ATOM 70 CB LYS A 8 11.872 -23.729 7.962 1.00 0.00 C ATOM 71 CG LYS A 8 13.164 -24.471 8.257 1.00 0.00 C ATOM 72 CD LYS A 8 13.149 -25.871 7.664 1.00 0.00 C ATOM 73 CE LYS A 8 13.541 -25.859 6.195 1.00 0.00 C ATOM 74 NZ LYS A 8 14.871 -25.225 5.981 1.00 0.00 N ATOM 0 H LYS A 8 10.472 -26.074 8.982 1.00 0.00 H new ATOM 0 HA LYS A 8 10.849 -23.283 9.802 1.00 0.00 H new ATOM 0 HB2 LYS A 8 11.518 -24.013 6.971 1.00 0.00 H new ATOM 0 HB3 LYS A 8 12.076 -22.659 7.933 1.00 0.00 H new ATOM 0 HG2 LYS A 8 14.007 -23.912 7.851 1.00 0.00 H new ATOM 0 HG3 LYS A 8 13.312 -24.533 9.335 1.00 0.00 H new ATOM 0 HD2 LYS A 8 13.836 -26.510 8.220 1.00 0.00 H new ATOM 0 HD3 LYS A 8 12.154 -26.302 7.772 1.00 0.00 H new ATOM 0 HE2 LYS A 8 13.561 -26.881 5.816 1.00 0.00 H new ATOM 0 HE3 LYS A 8 12.786 -25.321 5.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 15.315 -25.627 5.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 14.751 -24.200 5.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 15.478 -25.405 6.806 1.00 0.00 H new ATOM 88 N PRO A 9 8.934 -22.567 8.251 1.00 0.00 N ATOM 89 CA PRO A 9 7.640 -22.236 7.646 1.00 0.00 C ATOM 90 C PRO A 9 7.641 -22.431 6.134 1.00 0.00 C ATOM 91 O PRO A 9 8.282 -21.691 5.388 1.00 0.00 O ATOM 92 CB PRO A 9 7.454 -20.757 7.995 1.00 0.00 C ATOM 93 CG PRO A 9 8.836 -20.234 8.180 1.00 0.00 C ATOM 94 CD PRO A 9 9.637 -21.372 8.750 1.00 0.00 C ATOM 0 HA PRO A 9 6.841 -22.879 8.015 1.00 0.00 H new ATOM 0 HB2 PRO A 9 6.933 -20.225 7.199 1.00 0.00 H new ATOM 0 HB3 PRO A 9 6.860 -20.636 8.901 1.00 0.00 H new ATOM 0 HG2 PRO A 9 9.256 -19.898 7.232 1.00 0.00 H new ATOM 0 HG3 PRO A 9 8.842 -19.377 8.853 1.00 0.00 H new ATOM 0 HD2 PRO A 9 10.673 -21.344 8.411 1.00 0.00 H new ATOM 0 HD3 PRO A 9 9.657 -21.343 9.839 1.00 0.00 H new ATOM 102 N PRO A 10 6.905 -23.451 5.667 1.00 0.00 N ATOM 103 CA PRO A 10 6.803 -23.767 4.240 1.00 0.00 C ATOM 104 C PRO A 10 6.012 -22.715 3.469 1.00 0.00 C ATOM 105 O PRO A 10 6.293 -22.444 2.301 1.00 0.00 O ATOM 106 CB PRO A 10 6.067 -25.108 4.225 1.00 0.00 C ATOM 107 CG PRO A 10 5.287 -25.127 5.494 1.00 0.00 C ATOM 108 CD PRO A 10 6.115 -24.375 6.499 1.00 0.00 C ATOM 0 HA PRO A 10 7.780 -23.797 3.758 1.00 0.00 H new ATOM 0 HB2 PRO A 10 5.413 -25.191 3.357 1.00 0.00 H new ATOM 0 HB3 PRO A 10 6.766 -25.943 4.178 1.00 0.00 H new ATOM 0 HG2 PRO A 10 4.313 -24.657 5.361 1.00 0.00 H new ATOM 0 HG3 PRO A 10 5.105 -26.149 5.825 1.00 0.00 H new ATOM 0 HD2 PRO A 10 5.491 -23.839 7.213 1.00 0.00 H new ATOM 0 HD3 PRO A 10 6.754 -25.044 7.074 1.00 0.00 H new ATOM 116 N THR A 11 5.022 -22.124 4.130 1.00 0.00 N ATOM 117 CA THR A 11 4.189 -21.102 3.506 1.00 0.00 C ATOM 118 C THR A 11 4.581 -19.709 3.983 1.00 0.00 C ATOM 119 O THR A 11 4.410 -19.372 5.155 1.00 0.00 O ATOM 120 CB THR A 11 2.696 -21.335 3.806 1.00 0.00 C ATOM 121 OG1 THR A 11 2.303 -22.634 3.351 1.00 0.00 O ATOM 122 CG2 THR A 11 1.838 -20.275 3.132 1.00 0.00 C ATOM 0 H THR A 11 4.777 -22.335 5.097 1.00 0.00 H new ATOM 0 HA THR A 11 4.351 -21.174 2.430 1.00 0.00 H new ATOM 0 HB THR A 11 2.549 -21.268 4.884 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.353 -22.776 3.547 1.00 0.00 H new ATOM 0 HG21 THR A 11 0.788 -20.460 3.358 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.121 -19.289 3.501 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.990 -20.316 2.053 1.00 0.00 H new ATOM 130 N TYR A 12 5.105 -18.901 3.068 1.00 0.00 N ATOM 131 CA TYR A 12 5.522 -17.543 3.396 1.00 0.00 C ATOM 132 C TYR A 12 4.345 -16.577 3.312 1.00 0.00 C ATOM 133 O TYR A 12 4.231 -15.801 2.363 1.00 0.00 O ATOM 134 CB TYR A 12 6.638 -17.088 2.454 1.00 0.00 C ATOM 135 CG TYR A 12 7.533 -16.023 3.045 1.00 0.00 C ATOM 136 CD1 TYR A 12 7.020 -14.791 3.428 1.00 0.00 C ATOM 137 CD2 TYR A 12 8.893 -16.249 3.220 1.00 0.00 C ATOM 138 CE1 TYR A 12 7.834 -13.814 3.969 1.00 0.00 C ATOM 139 CE2 TYR A 12 9.714 -15.278 3.761 1.00 0.00 C ATOM 140 CZ TYR A 12 9.181 -14.063 4.133 1.00 0.00 C ATOM 141 OH TYR A 12 9.995 -13.093 4.672 1.00 0.00 O ATOM 0 H TYR A 12 5.251 -19.163 2.093 1.00 0.00 H new ATOM 0 HA TYR A 12 5.897 -17.542 4.419 1.00 0.00 H new ATOM 0 HB2 TYR A 12 7.246 -17.951 2.181 1.00 0.00 H new ATOM 0 HB3 TYR A 12 6.193 -16.708 1.534 1.00 0.00 H new ATOM 0 HD1 TYR A 12 5.966 -14.593 3.301 1.00 0.00 H new ATOM 0 HD2 TYR A 12 9.315 -17.199 2.928 1.00 0.00 H new ATOM 0 HE1 TYR A 12 7.418 -12.861 4.262 1.00 0.00 H new ATOM 0 HE2 TYR A 12 10.769 -15.471 3.892 1.00 0.00 H new ATOM 0 HH TYR A 12 10.915 -13.428 4.721 1.00 0.00 H new ATOM 151 N GLN A 13 3.472 -16.630 4.313 1.00 0.00 N ATOM 152 CA GLN A 13 2.303 -15.759 4.353 1.00 0.00 C ATOM 153 C GLN A 13 2.428 -14.731 5.473 1.00 0.00 C ATOM 154 O GLN A 13 1.861 -13.641 5.394 1.00 0.00 O ATOM 155 CB GLN A 13 1.031 -16.587 4.544 1.00 0.00 C ATOM 156 CG GLN A 13 -0.199 -15.748 4.855 1.00 0.00 C ATOM 157 CD GLN A 13 -0.746 -15.038 3.632 1.00 0.00 C ATOM 158 OE1 GLN A 13 -0.320 -15.299 2.506 1.00 0.00 O ATOM 159 NE2 GLN A 13 -1.693 -14.133 3.847 1.00 0.00 N ATOM 0 H GLN A 13 3.552 -17.266 5.106 1.00 0.00 H new ATOM 0 HA GLN A 13 2.244 -15.228 3.403 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.846 -17.167 3.640 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.189 -17.299 5.354 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -0.974 -16.389 5.275 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.052 -15.010 5.617 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -2.016 -13.949 4.797 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -2.098 -13.622 3.062 1.00 0.00 H new ATOM 168 N VAL A 14 3.173 -15.086 6.514 1.00 0.00 N ATOM 169 CA VAL A 14 3.373 -14.194 7.650 1.00 0.00 C ATOM 170 C VAL A 14 3.463 -12.740 7.198 1.00 0.00 C ATOM 171 O VAL A 14 3.080 -11.826 7.929 1.00 0.00 O ATOM 172 CB VAL A 14 4.649 -14.557 8.432 1.00 0.00 C ATOM 173 CG1 VAL A 14 5.869 -14.492 7.524 1.00 0.00 C ATOM 174 CG2 VAL A 14 4.819 -13.638 9.632 1.00 0.00 C ATOM 0 H VAL A 14 3.648 -15.985 6.595 1.00 0.00 H new ATOM 0 HA VAL A 14 2.509 -14.316 8.303 1.00 0.00 H new ATOM 0 HB VAL A 14 4.551 -15.579 8.797 1.00 0.00 H new ATOM 0 HG11 VAL A 14 6.761 -14.752 8.094 1.00 0.00 H new ATOM 0 HG12 VAL A 14 5.747 -15.195 6.700 1.00 0.00 H new ATOM 0 HG13 VAL A 14 5.973 -13.482 7.127 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.726 -13.909 10.173 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.895 -12.605 9.292 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.958 -13.740 10.293 1.00 0.00 H new ATOM 184 N LEU A 15 3.973 -12.533 5.989 1.00 0.00 N ATOM 185 CA LEU A 15 4.114 -11.190 5.438 1.00 0.00 C ATOM 186 C LEU A 15 2.938 -10.308 5.846 1.00 0.00 C ATOM 187 O LEU A 15 1.824 -10.793 6.039 1.00 0.00 O ATOM 188 CB LEU A 15 4.216 -11.251 3.913 1.00 0.00 C ATOM 189 CG LEU A 15 3.304 -12.263 3.220 1.00 0.00 C ATOM 190 CD1 LEU A 15 1.873 -11.749 3.175 1.00 0.00 C ATOM 191 CD2 LEU A 15 3.810 -12.562 1.815 1.00 0.00 C ATOM 0 H LEU A 15 4.296 -13.278 5.372 1.00 0.00 H new ATOM 0 HA LEU A 15 5.028 -10.753 5.840 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.996 -10.261 3.514 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.248 -11.480 3.647 1.00 0.00 H new ATOM 0 HG LEU A 15 3.318 -13.189 3.795 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.238 -12.483 2.678 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.513 -11.586 4.191 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.841 -10.809 2.624 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.149 -13.284 1.336 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.826 -11.642 1.231 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.818 -12.974 1.871 1.00 0.00 H new ATOM 203 N GLU A 16 3.195 -9.010 5.971 1.00 0.00 N ATOM 204 CA GLU A 16 2.156 -8.061 6.353 1.00 0.00 C ATOM 205 C GLU A 16 2.078 -6.907 5.356 1.00 0.00 C ATOM 206 O GLU A 16 2.842 -5.946 5.442 1.00 0.00 O ATOM 207 CB GLU A 16 2.422 -7.517 7.759 1.00 0.00 C ATOM 208 CG GLU A 16 3.804 -6.903 7.921 1.00 0.00 C ATOM 209 CD GLU A 16 4.184 -6.701 9.375 1.00 0.00 C ATOM 210 OE1 GLU A 16 3.309 -6.291 10.166 1.00 0.00 O ATOM 211 OE2 GLU A 16 5.356 -6.953 9.723 1.00 0.00 O ATOM 0 H GLU A 16 4.112 -8.592 5.814 1.00 0.00 H new ATOM 0 HA GLU A 16 1.201 -8.587 6.349 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.669 -6.766 7.998 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.306 -8.325 8.481 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.542 -7.546 7.442 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.834 -5.944 7.404 1.00 0.00 H new ATOM 218 N TYR A 17 1.149 -7.012 4.412 1.00 0.00 N ATOM 219 CA TYR A 17 0.974 -5.981 3.397 1.00 0.00 C ATOM 220 C TYR A 17 -0.423 -6.052 2.786 1.00 0.00 C ATOM 221 O TYR A 17 -1.032 -7.118 2.722 1.00 0.00 O ATOM 222 CB TYR A 17 2.030 -6.128 2.301 1.00 0.00 C ATOM 223 CG TYR A 17 3.440 -6.249 2.832 1.00 0.00 C ATOM 224 CD1 TYR A 17 3.972 -7.487 3.172 1.00 0.00 C ATOM 225 CD2 TYR A 17 4.242 -5.126 2.992 1.00 0.00 C ATOM 226 CE1 TYR A 17 5.260 -7.602 3.659 1.00 0.00 C ATOM 227 CE2 TYR A 17 5.531 -5.231 3.477 1.00 0.00 C ATOM 228 CZ TYR A 17 6.036 -6.471 3.809 1.00 0.00 C ATOM 229 OH TYR A 17 7.320 -6.582 4.291 1.00 0.00 O ATOM 0 H TYR A 17 0.507 -7.800 4.329 1.00 0.00 H new ATOM 0 HA TYR A 17 1.093 -5.010 3.877 1.00 0.00 H new ATOM 0 HB2 TYR A 17 1.799 -7.009 1.702 1.00 0.00 H new ATOM 0 HB3 TYR A 17 1.974 -5.266 1.636 1.00 0.00 H new ATOM 0 HD1 TYR A 17 3.368 -8.375 3.054 1.00 0.00 H new ATOM 0 HD2 TYR A 17 3.851 -4.153 2.733 1.00 0.00 H new ATOM 0 HE1 TYR A 17 5.657 -8.572 3.921 1.00 0.00 H new ATOM 0 HE2 TYR A 17 6.140 -4.347 3.596 1.00 0.00 H new ATOM 0 HH TYR A 17 7.731 -5.693 4.335 1.00 0.00 H new ATOM 239 N GLY A 18 -0.923 -4.904 2.337 1.00 0.00 N ATOM 240 CA GLY A 18 -2.244 -4.856 1.735 1.00 0.00 C ATOM 241 C GLY A 18 -2.192 -4.629 0.238 1.00 0.00 C ATOM 242 O GLY A 18 -1.125 -4.371 -0.319 1.00 0.00 O ATOM 0 H GLY A 18 -0.438 -4.008 2.379 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -2.767 -5.790 1.940 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.823 -4.058 2.200 1.00 0.00 H new ATOM 246 N GLU A 19 -3.345 -4.725 -0.415 1.00 0.00 N ATOM 247 CA GLU A 19 -3.425 -4.530 -1.857 1.00 0.00 C ATOM 248 C GLU A 19 -4.385 -3.396 -2.201 1.00 0.00 C ATOM 249 O GLU A 19 -5.504 -3.339 -1.691 1.00 0.00 O ATOM 250 CB GLU A 19 -3.875 -5.821 -2.545 1.00 0.00 C ATOM 251 CG GLU A 19 -3.846 -5.745 -4.062 1.00 0.00 C ATOM 252 CD GLU A 19 -4.196 -7.066 -4.720 1.00 0.00 C ATOM 253 OE1 GLU A 19 -3.523 -8.074 -4.421 1.00 0.00 O ATOM 254 OE2 GLU A 19 -5.144 -7.091 -5.533 1.00 0.00 O ATOM 0 H GLU A 19 -4.237 -4.937 0.032 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.431 -4.263 -2.217 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.233 -6.639 -2.218 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -4.888 -6.061 -2.221 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.546 -4.980 -4.397 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.854 -5.433 -4.387 1.00 0.00 H new ATOM 261 N ALA A 20 -3.939 -2.494 -3.069 1.00 0.00 N ATOM 262 CA ALA A 20 -4.759 -1.362 -3.484 1.00 0.00 C ATOM 263 C ALA A 20 -4.553 -1.045 -4.961 1.00 0.00 C ATOM 264 O ALA A 20 -3.548 -1.436 -5.556 1.00 0.00 O ATOM 265 CB ALA A 20 -4.441 -0.142 -2.631 1.00 0.00 C ATOM 0 H ALA A 20 -3.014 -2.525 -3.499 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.806 -1.631 -3.341 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.060 0.697 -2.951 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.646 -0.366 -1.584 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.389 0.119 -2.747 1.00 0.00 H new ATOM 271 N VAL A 21 -5.511 -0.336 -5.548 1.00 0.00 N ATOM 272 CA VAL A 21 -5.434 0.033 -6.957 1.00 0.00 C ATOM 273 C VAL A 21 -5.762 1.509 -7.158 1.00 0.00 C ATOM 274 O VAL A 21 -6.860 1.960 -6.834 1.00 0.00 O ATOM 275 CB VAL A 21 -6.394 -0.815 -7.813 1.00 0.00 C ATOM 276 CG1 VAL A 21 -6.395 -0.331 -9.254 1.00 0.00 C ATOM 277 CG2 VAL A 21 -6.015 -2.287 -7.736 1.00 0.00 C ATOM 0 H VAL A 21 -6.349 -0.005 -5.070 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.409 -0.156 -7.277 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.403 -0.701 -7.417 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.079 -0.942 -9.843 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.718 0.710 -9.288 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.389 -0.413 -9.666 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.703 -2.872 -8.346 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.998 -2.421 -8.106 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.072 -2.624 -6.701 1.00 0.00 H new ATOM 287 N ALA A 22 -4.802 2.255 -7.693 1.00 0.00 N ATOM 288 CA ALA A 22 -4.989 3.679 -7.939 1.00 0.00 C ATOM 289 C ALA A 22 -6.121 3.921 -8.930 1.00 0.00 C ATOM 290 O ALA A 22 -6.068 3.462 -10.071 1.00 0.00 O ATOM 291 CB ALA A 22 -3.697 4.301 -8.447 1.00 0.00 C ATOM 0 H ALA A 22 -3.886 1.897 -7.965 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.261 4.153 -6.996 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.851 5.365 -8.627 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.912 4.169 -7.702 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -3.400 3.815 -9.377 1.00 0.00 H new ATOM 297 N GLN A 23 -7.147 4.642 -8.488 1.00 0.00 N ATOM 298 CA GLN A 23 -8.292 4.943 -9.337 1.00 0.00 C ATOM 299 C GLN A 23 -8.097 6.268 -10.067 1.00 0.00 C ATOM 300 O GLN A 23 -8.420 6.392 -11.248 1.00 0.00 O ATOM 301 CB GLN A 23 -9.573 4.991 -8.504 1.00 0.00 C ATOM 302 CG GLN A 23 -9.985 3.639 -7.942 1.00 0.00 C ATOM 303 CD GLN A 23 -10.220 2.604 -9.025 1.00 0.00 C ATOM 304 OE1 GLN A 23 -11.136 2.736 -9.836 1.00 0.00 O ATOM 305 NE2 GLN A 23 -9.392 1.567 -9.042 1.00 0.00 N ATOM 0 H GLN A 23 -7.208 5.028 -7.546 1.00 0.00 H new ATOM 0 HA GLN A 23 -8.379 4.150 -10.079 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -9.434 5.691 -7.680 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -10.383 5.381 -9.120 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -9.211 3.280 -7.264 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -10.895 3.756 -7.353 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -8.646 1.499 -8.350 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -9.502 0.838 -9.747 1.00 0.00 H new ATOM 314 N TYR A 24 -7.567 7.256 -9.355 1.00 0.00 N ATOM 315 CA TYR A 24 -7.330 8.574 -9.934 1.00 0.00 C ATOM 316 C TYR A 24 -5.865 8.974 -9.798 1.00 0.00 C ATOM 317 O TYR A 24 -5.222 8.695 -8.785 1.00 0.00 O ATOM 318 CB TYR A 24 -8.220 9.618 -9.257 1.00 0.00 C ATOM 319 CG TYR A 24 -9.679 9.227 -9.204 1.00 0.00 C ATOM 320 CD1 TYR A 24 -10.155 8.373 -8.217 1.00 0.00 C ATOM 321 CD2 TYR A 24 -10.584 9.711 -10.141 1.00 0.00 C ATOM 322 CE1 TYR A 24 -11.487 8.013 -8.164 1.00 0.00 C ATOM 323 CE2 TYR A 24 -11.918 9.357 -10.096 1.00 0.00 C ATOM 324 CZ TYR A 24 -12.365 8.507 -9.106 1.00 0.00 C ATOM 325 OH TYR A 24 -13.693 8.151 -9.057 1.00 0.00 O ATOM 0 H TYR A 24 -7.293 7.170 -8.376 1.00 0.00 H new ATOM 0 HA TYR A 24 -7.577 8.527 -10.994 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -7.861 9.786 -8.242 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -8.125 10.564 -9.790 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -9.471 7.984 -7.478 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -10.238 10.376 -10.918 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -11.839 7.348 -7.389 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -12.607 9.744 -10.832 1.00 0.00 H new ATOM 0 HH TYR A 24 -14.176 8.586 -9.791 1.00 0.00 H new ATOM 335 N THR A 25 -5.340 9.631 -10.828 1.00 0.00 N ATOM 336 CA THR A 25 -3.950 10.070 -10.826 1.00 0.00 C ATOM 337 C THR A 25 -3.750 11.260 -9.893 1.00 0.00 C ATOM 338 O THR A 25 -4.386 12.301 -10.054 1.00 0.00 O ATOM 339 CB THR A 25 -3.481 10.458 -12.241 1.00 0.00 C ATOM 340 OG1 THR A 25 -3.800 9.413 -13.166 1.00 0.00 O ATOM 341 CG2 THR A 25 -1.981 10.719 -12.261 1.00 0.00 C ATOM 0 H THR A 25 -5.857 9.871 -11.674 1.00 0.00 H new ATOM 0 HA THR A 25 -3.354 9.229 -10.471 1.00 0.00 H new ATOM 0 HB THR A 25 -3.997 11.372 -12.534 1.00 0.00 H new ATOM 0 HG1 THR A 25 -3.500 9.668 -14.064 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.672 10.991 -13.270 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.744 11.534 -11.577 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.451 9.819 -11.950 1.00 0.00 H new ATOM 349 N PHE A 26 -2.862 11.098 -8.919 1.00 0.00 N ATOM 350 CA PHE A 26 -2.578 12.160 -7.959 1.00 0.00 C ATOM 351 C PHE A 26 -1.283 12.884 -8.315 1.00 0.00 C ATOM 352 O PHE A 26 -0.441 12.353 -9.041 1.00 0.00 O ATOM 353 CB PHE A 26 -2.483 11.585 -6.544 1.00 0.00 C ATOM 354 CG PHE A 26 -2.282 12.632 -5.485 1.00 0.00 C ATOM 355 CD1 PHE A 26 -3.341 13.417 -5.060 1.00 0.00 C ATOM 356 CD2 PHE A 26 -1.034 12.828 -4.914 1.00 0.00 C ATOM 357 CE1 PHE A 26 -3.158 14.380 -4.085 1.00 0.00 C ATOM 358 CE2 PHE A 26 -0.847 13.790 -3.940 1.00 0.00 C ATOM 359 CZ PHE A 26 -1.910 14.566 -3.524 1.00 0.00 C ATOM 0 H PHE A 26 -2.326 10.242 -8.773 1.00 0.00 H new ATOM 0 HA PHE A 26 -3.397 12.879 -7.997 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.394 11.028 -6.325 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -1.657 10.875 -6.503 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -4.320 13.275 -5.495 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -0.199 12.222 -5.234 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -3.991 14.987 -3.762 1.00 0.00 H new ATOM 0 HE2 PHE A 26 0.131 13.935 -3.504 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.766 15.317 -2.761 1.00 0.00 H new ATOM 369 N LYS A 27 -1.130 14.098 -7.799 1.00 0.00 N ATOM 370 CA LYS A 27 0.062 14.896 -8.061 1.00 0.00 C ATOM 371 C LYS A 27 0.515 15.626 -6.800 1.00 0.00 C ATOM 372 O LYS A 27 -0.303 16.160 -6.052 1.00 0.00 O ATOM 373 CB LYS A 27 -0.210 15.906 -9.178 1.00 0.00 C ATOM 374 CG LYS A 27 1.017 16.698 -9.594 1.00 0.00 C ATOM 375 CD LYS A 27 1.892 15.909 -10.553 1.00 0.00 C ATOM 376 CE LYS A 27 3.263 16.547 -10.710 1.00 0.00 C ATOM 377 NZ LYS A 27 4.170 16.197 -9.581 1.00 0.00 N ATOM 0 H LYS A 27 -1.817 14.552 -7.196 1.00 0.00 H new ATOM 0 HA LYS A 27 0.858 14.222 -8.376 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.603 15.377 -10.047 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.985 16.599 -8.849 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.706 17.630 -10.066 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.595 16.966 -8.710 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.004 14.888 -10.188 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.404 15.848 -11.526 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.710 16.221 -11.649 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.155 17.630 -10.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.095 16.651 -9.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.756 16.530 -8.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.293 15.165 -9.542 1.00 0.00 H new ATOM 391 N GLY A 28 1.825 15.647 -6.572 1.00 0.00 N ATOM 392 CA GLY A 28 2.364 16.316 -5.402 1.00 0.00 C ATOM 393 C GLY A 28 3.846 16.606 -5.532 1.00 0.00 C ATOM 394 O GLY A 28 4.517 16.066 -6.411 1.00 0.00 O ATOM 0 H GLY A 28 2.522 15.213 -7.177 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.827 17.251 -5.242 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.194 15.696 -4.522 1.00 0.00 H new ATOM 398 N ASP A 29 4.358 17.464 -4.655 1.00 0.00 N ATOM 399 CA ASP A 29 5.770 17.827 -4.676 1.00 0.00 C ATOM 400 C ASP A 29 6.400 17.634 -3.300 1.00 0.00 C ATOM 401 O ASP A 29 7.602 17.836 -3.123 1.00 0.00 O ATOM 402 CB ASP A 29 5.939 19.277 -5.130 1.00 0.00 C ATOM 403 CG ASP A 29 5.347 19.527 -6.502 1.00 0.00 C ATOM 404 OD1 ASP A 29 4.108 19.642 -6.603 1.00 0.00 O ATOM 405 OD2 ASP A 29 6.123 19.609 -7.478 1.00 0.00 O ATOM 0 H ASP A 29 3.816 17.920 -3.921 1.00 0.00 H new ATOM 0 HA ASP A 29 6.278 17.172 -5.384 1.00 0.00 H new ATOM 0 HB2 ASP A 29 5.463 19.939 -4.406 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.999 19.529 -5.144 1.00 0.00 H new ATOM 410 N LEU A 30 5.582 17.243 -2.330 1.00 0.00 N ATOM 411 CA LEU A 30 6.059 17.024 -0.969 1.00 0.00 C ATOM 412 C LEU A 30 6.419 15.559 -0.747 1.00 0.00 C ATOM 413 O LEU A 30 5.809 14.665 -1.333 1.00 0.00 O ATOM 414 CB LEU A 30 4.995 17.459 0.042 1.00 0.00 C ATOM 415 CG LEU A 30 4.841 18.965 0.248 1.00 0.00 C ATOM 416 CD1 LEU A 30 3.690 19.259 1.198 1.00 0.00 C ATOM 417 CD2 LEU A 30 6.136 19.566 0.774 1.00 0.00 C ATOM 0 H LEU A 30 4.585 17.071 -2.460 1.00 0.00 H new ATOM 0 HA LEU A 30 6.957 17.625 -0.824 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.034 17.056 -0.277 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.229 17.003 1.004 1.00 0.00 H new ATOM 0 HG LEU A 30 4.616 19.423 -0.715 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.596 20.337 1.333 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.764 18.863 0.781 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.885 18.789 2.162 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.008 20.639 0.915 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.391 19.103 1.727 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.938 19.387 0.057 1.00 0.00 H new ATOM 429 N GLU A 31 7.412 15.321 0.103 1.00 0.00 N ATOM 430 CA GLU A 31 7.851 13.963 0.403 1.00 0.00 C ATOM 431 C GLU A 31 6.687 13.111 0.898 1.00 0.00 C ATOM 432 O GLU A 31 6.539 11.953 0.507 1.00 0.00 O ATOM 433 CB GLU A 31 8.965 13.983 1.453 1.00 0.00 C ATOM 434 CG GLU A 31 9.882 12.773 1.391 1.00 0.00 C ATOM 435 CD GLU A 31 11.049 12.877 2.353 1.00 0.00 C ATOM 436 OE1 GLU A 31 10.821 13.244 3.525 1.00 0.00 O ATOM 437 OE2 GLU A 31 12.191 12.592 1.934 1.00 0.00 O ATOM 0 H GLU A 31 7.928 16.050 0.596 1.00 0.00 H new ATOM 0 HA GLU A 31 8.236 13.522 -0.517 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.560 14.887 1.322 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.517 14.038 2.445 1.00 0.00 H new ATOM 0 HG2 GLU A 31 9.308 11.875 1.618 1.00 0.00 H new ATOM 0 HG3 GLU A 31 10.262 12.661 0.375 1.00 0.00 H new ATOM 444 N VAL A 32 5.861 13.692 1.764 1.00 0.00 N ATOM 445 CA VAL A 32 4.709 12.987 2.313 1.00 0.00 C ATOM 446 C VAL A 32 3.670 12.708 1.232 1.00 0.00 C ATOM 447 O VAL A 32 2.927 11.731 1.311 1.00 0.00 O ATOM 448 CB VAL A 32 4.049 13.791 3.448 1.00 0.00 C ATOM 449 CG1 VAL A 32 5.031 14.006 4.591 1.00 0.00 C ATOM 450 CG2 VAL A 32 3.526 15.120 2.927 1.00 0.00 C ATOM 0 H VAL A 32 5.969 14.649 2.100 1.00 0.00 H new ATOM 0 HA VAL A 32 5.076 12.042 2.713 1.00 0.00 H new ATOM 0 HB VAL A 32 3.203 13.219 3.829 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.547 14.576 5.384 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.351 13.040 4.982 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.899 14.556 4.227 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.063 15.674 3.744 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.352 15.701 2.517 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.787 14.939 2.146 1.00 0.00 H new ATOM 460 N GLU A 33 3.626 13.572 0.224 1.00 0.00 N ATOM 461 CA GLU A 33 2.676 13.418 -0.873 1.00 0.00 C ATOM 462 C GLU A 33 3.281 12.590 -2.004 1.00 0.00 C ATOM 463 O GLU A 33 4.126 13.073 -2.758 1.00 0.00 O ATOM 464 CB GLU A 33 2.248 14.788 -1.402 1.00 0.00 C ATOM 465 CG GLU A 33 1.555 15.653 -0.362 1.00 0.00 C ATOM 466 CD GLU A 33 0.989 16.931 -0.950 1.00 0.00 C ATOM 467 OE1 GLU A 33 1.745 17.657 -1.628 1.00 0.00 O ATOM 468 OE2 GLU A 33 -0.209 17.205 -0.730 1.00 0.00 O ATOM 0 H GLU A 33 4.236 14.385 0.143 1.00 0.00 H new ATOM 0 HA GLU A 33 1.800 12.894 -0.491 1.00 0.00 H new ATOM 0 HB2 GLU A 33 3.127 15.315 -1.774 1.00 0.00 H new ATOM 0 HB3 GLU A 33 1.578 14.647 -2.250 1.00 0.00 H new ATOM 0 HG2 GLU A 33 0.750 15.083 0.101 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.264 15.903 0.428 1.00 0.00 H new ATOM 475 N LEU A 34 2.844 11.341 -2.113 1.00 0.00 N ATOM 476 CA LEU A 34 3.342 10.444 -3.151 1.00 0.00 C ATOM 477 C LEU A 34 2.404 10.429 -4.353 1.00 0.00 C ATOM 478 O LEU A 34 1.185 10.345 -4.202 1.00 0.00 O ATOM 479 CB LEU A 34 3.502 9.028 -2.596 1.00 0.00 C ATOM 480 CG LEU A 34 3.648 7.913 -3.632 1.00 0.00 C ATOM 481 CD1 LEU A 34 5.097 7.787 -4.078 1.00 0.00 C ATOM 482 CD2 LEU A 34 3.144 6.593 -3.070 1.00 0.00 C ATOM 0 H LEU A 34 2.146 10.926 -1.496 1.00 0.00 H new ATOM 0 HA LEU A 34 4.315 10.811 -3.478 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.378 9.011 -1.947 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.638 8.805 -1.971 1.00 0.00 H new ATOM 0 HG LEU A 34 3.042 8.169 -4.501 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.183 6.989 -4.815 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.424 8.727 -4.522 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.724 7.554 -3.217 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.256 5.811 -3.821 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.722 6.330 -2.184 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.092 6.690 -2.801 1.00 0.00 H new ATOM 494 N SER A 35 2.981 10.510 -5.549 1.00 0.00 N ATOM 495 CA SER A 35 2.196 10.506 -6.778 1.00 0.00 C ATOM 496 C SER A 35 2.105 9.100 -7.360 1.00 0.00 C ATOM 497 O SER A 35 3.035 8.303 -7.237 1.00 0.00 O ATOM 498 CB SER A 35 2.815 11.458 -7.804 1.00 0.00 C ATOM 499 OG SER A 35 2.992 12.753 -7.257 1.00 0.00 O ATOM 0 H SER A 35 3.989 10.579 -5.692 1.00 0.00 H new ATOM 0 HA SER A 35 1.188 10.846 -6.539 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.776 11.065 -8.135 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.174 11.516 -8.684 1.00 0.00 H new ATOM 0 HG SER A 35 3.390 13.341 -7.932 1.00 0.00 H new ATOM 505 N PHE A 36 0.978 8.801 -7.996 1.00 0.00 N ATOM 506 CA PHE A 36 0.762 7.491 -8.599 1.00 0.00 C ATOM 507 C PHE A 36 -0.190 7.588 -9.787 1.00 0.00 C ATOM 508 O PHE A 36 -1.085 8.433 -9.811 1.00 0.00 O ATOM 509 CB PHE A 36 0.205 6.515 -7.561 1.00 0.00 C ATOM 510 CG PHE A 36 -0.919 7.085 -6.745 1.00 0.00 C ATOM 511 CD1 PHE A 36 -2.209 7.122 -7.249 1.00 0.00 C ATOM 512 CD2 PHE A 36 -0.686 7.583 -5.473 1.00 0.00 C ATOM 513 CE1 PHE A 36 -3.246 7.646 -6.500 1.00 0.00 C ATOM 514 CE2 PHE A 36 -1.718 8.108 -4.720 1.00 0.00 C ATOM 515 CZ PHE A 36 -3.000 8.141 -5.234 1.00 0.00 C ATOM 0 H PHE A 36 0.198 9.449 -8.108 1.00 0.00 H new ATOM 0 HA PHE A 36 1.723 7.121 -8.957 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -0.145 5.617 -8.070 1.00 0.00 H new ATOM 0 HB3 PHE A 36 1.010 6.209 -6.893 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.407 6.737 -8.238 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.314 7.560 -5.066 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.247 7.668 -6.904 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.523 8.493 -3.730 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.808 8.553 -4.647 1.00 0.00 H new ATOM 525 N ARG A 37 0.010 6.716 -10.770 1.00 0.00 N ATOM 526 CA ARG A 37 -0.830 6.704 -11.962 1.00 0.00 C ATOM 527 C ARG A 37 -1.961 5.689 -11.820 1.00 0.00 C ATOM 528 O ARG A 37 -1.752 4.572 -11.346 1.00 0.00 O ATOM 529 CB ARG A 37 0.009 6.379 -13.199 1.00 0.00 C ATOM 530 CG ARG A 37 0.804 7.563 -13.724 1.00 0.00 C ATOM 531 CD ARG A 37 1.693 7.163 -14.892 1.00 0.00 C ATOM 532 NE ARG A 37 2.850 6.383 -14.458 1.00 0.00 N ATOM 533 CZ ARG A 37 3.915 6.914 -13.869 1.00 0.00 C ATOM 534 NH1 ARG A 37 3.972 8.220 -13.645 1.00 0.00 N ATOM 535 NH2 ARG A 37 4.928 6.139 -13.503 1.00 0.00 N ATOM 0 H ARG A 37 0.746 6.009 -10.765 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.267 7.696 -12.078 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.697 5.568 -12.958 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -0.649 6.015 -13.988 1.00 0.00 H new ATOM 0 HG2 ARG A 37 0.120 8.351 -14.039 1.00 0.00 H new ATOM 0 HG3 ARG A 37 1.417 7.975 -12.923 1.00 0.00 H new ATOM 0 HD2 ARG A 37 1.112 6.581 -15.607 1.00 0.00 H new ATOM 0 HD3 ARG A 37 2.034 8.059 -15.411 1.00 0.00 H new ATOM 0 HE ARG A 37 2.839 5.375 -14.616 1.00 0.00 H new ATOM 0 HH11 ARG A 37 3.196 8.820 -13.925 1.00 0.00 H new ATOM 0 HH12 ARG A 37 4.792 8.624 -13.192 1.00 0.00 H new ATOM 0 HH21 ARG A 37 4.889 5.134 -13.674 1.00 0.00 H new ATOM 0 HH22 ARG A 37 5.746 6.548 -13.051 1.00 0.00 H new ATOM 549 N LYS A 38 -3.160 6.085 -12.233 1.00 0.00 N ATOM 550 CA LYS A 38 -4.325 5.212 -12.152 1.00 0.00 C ATOM 551 C LYS A 38 -4.014 3.836 -12.735 1.00 0.00 C ATOM 552 O LYS A 38 -3.581 3.720 -13.880 1.00 0.00 O ATOM 553 CB LYS A 38 -5.508 5.836 -12.895 1.00 0.00 C ATOM 554 CG LYS A 38 -6.715 4.919 -12.997 1.00 0.00 C ATOM 555 CD LYS A 38 -7.805 5.526 -13.864 1.00 0.00 C ATOM 556 CE LYS A 38 -9.165 4.918 -13.557 1.00 0.00 C ATOM 557 NZ LYS A 38 -9.381 3.641 -14.292 1.00 0.00 N ATOM 0 H LYS A 38 -3.351 7.006 -12.628 1.00 0.00 H new ATOM 0 HA LYS A 38 -4.586 5.092 -11.101 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.802 6.754 -12.387 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.189 6.116 -13.899 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -6.410 3.959 -13.414 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -7.109 4.723 -12.000 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.842 6.603 -13.702 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.564 5.369 -14.916 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.249 4.739 -12.485 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.948 5.627 -13.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.319 3.259 -14.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.326 3.816 -15.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.649 2.955 -14.019 1.00 0.00 H new ATOM 571 N GLY A 39 -4.240 2.796 -11.938 1.00 0.00 N ATOM 572 CA GLY A 39 -3.980 1.443 -12.392 1.00 0.00 C ATOM 573 C GLY A 39 -2.813 0.803 -11.668 1.00 0.00 C ATOM 574 O GLY A 39 -2.824 -0.399 -11.402 1.00 0.00 O ATOM 0 H GLY A 39 -4.599 2.867 -10.986 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.873 0.835 -12.244 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.777 1.455 -13.463 1.00 0.00 H new ATOM 578 N GLU A 40 -1.803 1.606 -11.349 1.00 0.00 N ATOM 579 CA GLU A 40 -0.622 1.108 -10.653 1.00 0.00 C ATOM 580 C GLU A 40 -1.015 0.334 -9.399 1.00 0.00 C ATOM 581 O GLU A 40 -2.050 0.602 -8.788 1.00 0.00 O ATOM 582 CB GLU A 40 0.304 2.269 -10.279 1.00 0.00 C ATOM 583 CG GLU A 40 1.254 2.672 -11.393 1.00 0.00 C ATOM 584 CD GLU A 40 2.549 1.883 -11.370 1.00 0.00 C ATOM 585 OE1 GLU A 40 2.483 0.636 -11.400 1.00 0.00 O ATOM 586 OE2 GLU A 40 3.627 2.511 -11.321 1.00 0.00 O ATOM 0 H GLU A 40 -1.779 2.603 -11.561 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.094 0.432 -11.326 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -0.302 3.131 -10.000 1.00 0.00 H new ATOM 0 HB3 GLU A 40 0.885 1.990 -9.400 1.00 0.00 H new ATOM 0 HG2 GLU A 40 0.762 2.527 -12.355 1.00 0.00 H new ATOM 0 HG3 GLU A 40 1.479 3.735 -11.307 1.00 0.00 H new ATOM 593 N HIS A 41 -0.183 -0.631 -9.021 1.00 0.00 N ATOM 594 CA HIS A 41 -0.442 -1.446 -7.840 1.00 0.00 C ATOM 595 C HIS A 41 0.465 -1.034 -6.684 1.00 0.00 C ATOM 596 O HIS A 41 1.603 -1.490 -6.582 1.00 0.00 O ATOM 597 CB HIS A 41 -0.237 -2.927 -8.161 1.00 0.00 C ATOM 598 CG HIS A 41 -1.447 -3.585 -8.749 1.00 0.00 C ATOM 599 ND1 HIS A 41 -1.925 -4.805 -8.317 1.00 0.00 N ATOM 600 CD2 HIS A 41 -2.278 -3.187 -9.740 1.00 0.00 C ATOM 601 CE1 HIS A 41 -2.997 -5.128 -9.019 1.00 0.00 C ATOM 602 NE2 HIS A 41 -3.233 -4.163 -9.889 1.00 0.00 N ATOM 0 H HIS A 41 0.677 -0.868 -9.516 1.00 0.00 H new ATOM 0 HA HIS A 41 -1.478 -1.286 -7.540 1.00 0.00 H new ATOM 0 HB2 HIS A 41 0.596 -3.028 -8.857 1.00 0.00 H new ATOM 0 HB3 HIS A 41 0.045 -3.452 -7.249 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -2.204 -2.272 -10.308 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -3.581 -6.029 -8.901 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -3.999 -4.145 -10.562 1.00 0.00 H new ATOM 611 N ILE A 42 -0.048 -0.168 -5.816 1.00 0.00 N ATOM 612 CA ILE A 42 0.715 0.305 -4.668 1.00 0.00 C ATOM 613 C ILE A 42 0.642 -0.687 -3.513 1.00 0.00 C ATOM 614 O ILE A 42 -0.442 -1.021 -3.036 1.00 0.00 O ATOM 615 CB ILE A 42 0.213 1.678 -4.184 1.00 0.00 C ATOM 616 CG1 ILE A 42 0.139 2.660 -5.355 1.00 0.00 C ATOM 617 CG2 ILE A 42 1.120 2.218 -3.089 1.00 0.00 C ATOM 618 CD1 ILE A 42 -0.858 3.778 -5.144 1.00 0.00 C ATOM 0 H ILE A 42 -0.989 0.220 -5.886 1.00 0.00 H new ATOM 0 HA ILE A 42 1.750 0.402 -4.996 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.789 1.557 -3.772 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.126 3.091 -5.520 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.126 2.114 -6.260 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.752 3.189 -2.758 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.126 1.526 -2.247 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.133 2.327 -3.476 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.857 4.435 -6.013 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.854 3.357 -5.009 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.582 4.349 -4.257 1.00 0.00 H new ATOM 630 N CYS A 43 1.804 -1.153 -3.066 1.00 0.00 N ATOM 631 CA CYS A 43 1.872 -2.107 -1.964 1.00 0.00 C ATOM 632 C CYS A 43 1.704 -1.401 -0.623 1.00 0.00 C ATOM 633 O CYS A 43 2.556 -0.611 -0.214 1.00 0.00 O ATOM 634 CB CYS A 43 3.204 -2.858 -1.996 1.00 0.00 C ATOM 635 SG CYS A 43 3.120 -4.536 -1.325 1.00 0.00 S ATOM 0 H CYS A 43 2.711 -0.886 -3.449 1.00 0.00 H new ATOM 0 HA CYS A 43 1.057 -2.821 -2.082 1.00 0.00 H new ATOM 0 HB2 CYS A 43 3.557 -2.907 -3.026 1.00 0.00 H new ATOM 0 HB3 CYS A 43 3.944 -2.289 -1.432 1.00 0.00 H new ATOM 0 HG CYS A 43 4.293 -5.091 -1.397 1.00 0.00 H new ATOM 641 N LEU A 44 0.599 -1.688 0.056 1.00 0.00 N ATOM 642 CA LEU A 44 0.318 -1.080 1.352 1.00 0.00 C ATOM 643 C LEU A 44 1.256 -1.625 2.425 1.00 0.00 C ATOM 644 O LEU A 44 1.038 -2.713 2.959 1.00 0.00 O ATOM 645 CB LEU A 44 -1.136 -1.335 1.752 1.00 0.00 C ATOM 646 CG LEU A 44 -2.199 -0.785 0.802 1.00 0.00 C ATOM 647 CD1 LEU A 44 -3.593 -1.135 1.300 1.00 0.00 C ATOM 648 CD2 LEU A 44 -2.050 0.722 0.649 1.00 0.00 C ATOM 0 H LEU A 44 -0.117 -2.338 -0.269 1.00 0.00 H new ATOM 0 HA LEU A 44 0.482 -0.006 1.265 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.283 -2.411 1.846 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.301 -0.904 2.739 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.057 -1.246 -0.176 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.337 -0.735 0.611 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.697 -2.218 1.358 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.745 -0.703 2.289 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.815 1.096 -0.031 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.164 1.200 1.622 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.063 0.951 0.246 1.00 0.00 H new ATOM 660 N ILE A 45 2.297 -0.861 2.737 1.00 0.00 N ATOM 661 CA ILE A 45 3.266 -1.265 3.748 1.00 0.00 C ATOM 662 C ILE A 45 2.755 -0.959 5.152 1.00 0.00 C ATOM 663 O ILE A 45 2.836 -1.799 6.049 1.00 0.00 O ATOM 664 CB ILE A 45 4.621 -0.564 3.543 1.00 0.00 C ATOM 665 CG1 ILE A 45 5.029 -0.616 2.069 1.00 0.00 C ATOM 666 CG2 ILE A 45 5.688 -1.207 4.416 1.00 0.00 C ATOM 667 CD1 ILE A 45 5.878 0.558 1.635 1.00 0.00 C ATOM 0 H ILE A 45 2.491 0.042 2.304 1.00 0.00 H new ATOM 0 HA ILE A 45 3.404 -2.341 3.640 1.00 0.00 H new ATOM 0 HB ILE A 45 4.520 0.481 3.836 1.00 0.00 H new ATOM 0 HG12 ILE A 45 5.579 -1.539 1.885 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.131 -0.652 1.453 1.00 0.00 H new ATOM 0 HG21 ILE A 45 6.640 -0.700 4.260 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.400 -1.123 5.464 1.00 0.00 H new ATOM 0 HG23 ILE A 45 5.789 -2.259 4.151 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.130 0.455 0.579 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.323 1.484 1.787 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.794 0.583 2.226 1.00 0.00 H new ATOM 679 N ARG A 46 2.228 0.247 5.334 1.00 0.00 N ATOM 680 CA ARG A 46 1.703 0.663 6.629 1.00 0.00 C ATOM 681 C ARG A 46 0.454 1.524 6.458 1.00 0.00 C ATOM 682 O ARG A 46 0.407 2.405 5.599 1.00 0.00 O ATOM 683 CB ARG A 46 2.766 1.439 7.409 1.00 0.00 C ATOM 684 CG ARG A 46 3.926 0.576 7.879 1.00 0.00 C ATOM 685 CD ARG A 46 4.609 1.177 9.097 1.00 0.00 C ATOM 686 NE ARG A 46 3.744 1.159 10.273 1.00 0.00 N ATOM 687 CZ ARG A 46 4.152 1.502 11.491 1.00 0.00 C ATOM 688 NH1 ARG A 46 5.405 1.887 11.690 1.00 0.00 N ATOM 689 NH2 ARG A 46 3.305 1.458 12.512 1.00 0.00 N ATOM 0 H ARG A 46 2.153 0.953 4.602 1.00 0.00 H new ATOM 0 HA ARG A 46 1.433 -0.233 7.188 1.00 0.00 H new ATOM 0 HB2 ARG A 46 3.152 2.242 6.781 1.00 0.00 H new ATOM 0 HB3 ARG A 46 2.299 1.909 8.275 1.00 0.00 H new ATOM 0 HG2 ARG A 46 3.563 -0.423 8.120 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.650 0.466 7.072 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.523 0.623 9.311 1.00 0.00 H new ATOM 0 HD3 ARG A 46 4.903 2.204 8.878 1.00 0.00 H new ATOM 0 HE ARG A 46 2.774 0.867 10.154 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.059 1.921 10.908 1.00 0.00 H new ATOM 0 HH12 ARG A 46 5.715 2.150 12.625 1.00 0.00 H new ATOM 0 HH21 ARG A 46 2.341 1.161 12.362 1.00 0.00 H new ATOM 0 HH22 ARG A 46 3.618 1.721 13.446 1.00 0.00 H new ATOM 703 N LYS A 47 -0.556 1.261 7.280 1.00 0.00 N ATOM 704 CA LYS A 47 -1.805 2.011 7.221 1.00 0.00 C ATOM 705 C LYS A 47 -1.758 3.221 8.148 1.00 0.00 C ATOM 706 O LYS A 47 -1.978 3.102 9.353 1.00 0.00 O ATOM 707 CB LYS A 47 -2.983 1.110 7.601 1.00 0.00 C ATOM 708 CG LYS A 47 -4.279 1.867 7.829 1.00 0.00 C ATOM 709 CD LYS A 47 -5.347 0.975 8.440 1.00 0.00 C ATOM 710 CE LYS A 47 -6.716 1.635 8.398 1.00 0.00 C ATOM 711 NZ LYS A 47 -7.759 0.790 9.042 1.00 0.00 N ATOM 0 H LYS A 47 -0.534 0.534 7.995 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.940 2.364 6.199 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.136 0.374 6.812 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.730 0.558 8.506 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.094 2.717 8.486 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.638 2.269 6.882 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.382 0.027 7.902 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.084 0.746 9.473 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.669 2.601 8.901 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -6.994 1.829 7.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.678 1.275 8.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.822 -0.122 8.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.507 0.626 10.038 1.00 0.00 H new ATOM 725 N VAL A 48 -1.469 4.387 7.578 1.00 0.00 N ATOM 726 CA VAL A 48 -1.395 5.620 8.353 1.00 0.00 C ATOM 727 C VAL A 48 -2.672 5.841 9.156 1.00 0.00 C ATOM 728 O VAL A 48 -2.635 5.948 10.381 1.00 0.00 O ATOM 729 CB VAL A 48 -1.155 6.840 7.444 1.00 0.00 C ATOM 730 CG1 VAL A 48 -0.974 8.099 8.277 1.00 0.00 C ATOM 731 CG2 VAL A 48 0.050 6.607 6.546 1.00 0.00 C ATOM 0 H VAL A 48 -1.282 4.503 6.582 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.553 5.515 9.037 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.031 6.976 6.809 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.806 8.950 7.618 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.870 8.273 8.873 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.116 7.977 8.939 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.204 7.479 5.911 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.936 6.444 7.160 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.125 5.730 5.922 1.00 0.00 H new ATOM 741 N ASN A 49 -3.800 5.907 8.457 1.00 0.00 N ATOM 742 CA ASN A 49 -5.090 6.116 9.106 1.00 0.00 C ATOM 743 C ASN A 49 -6.225 5.561 8.251 1.00 0.00 C ATOM 744 O ASN A 49 -6.012 5.148 7.112 1.00 0.00 O ATOM 745 CB ASN A 49 -5.316 7.606 9.370 1.00 0.00 C ATOM 746 CG ASN A 49 -4.273 8.194 10.300 1.00 0.00 C ATOM 747 OD1 ASN A 49 -4.085 7.718 11.419 1.00 0.00 O ATOM 748 ND2 ASN A 49 -3.590 9.236 9.838 1.00 0.00 N ATOM 0 H ASN A 49 -3.848 5.819 7.442 1.00 0.00 H new ATOM 0 HA ASN A 49 -5.081 5.583 10.057 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.300 8.146 8.423 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -6.306 7.749 9.802 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -2.875 9.675 10.418 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -3.780 9.597 8.903 1.00 0.00 H new ATOM 755 N GLU A 50 -7.431 5.553 8.812 1.00 0.00 N ATOM 756 CA GLU A 50 -8.599 5.048 8.100 1.00 0.00 C ATOM 757 C GLU A 50 -8.879 5.882 6.852 1.00 0.00 C ATOM 758 O GLU A 50 -9.728 5.529 6.036 1.00 0.00 O ATOM 759 CB GLU A 50 -9.824 5.055 9.017 1.00 0.00 C ATOM 760 CG GLU A 50 -10.303 6.450 9.384 1.00 0.00 C ATOM 761 CD GLU A 50 -11.596 6.434 10.176 1.00 0.00 C ATOM 762 OE1 GLU A 50 -11.741 5.558 11.054 1.00 0.00 O ATOM 763 OE2 GLU A 50 -12.460 7.296 9.919 1.00 0.00 O ATOM 0 H GLU A 50 -7.624 5.890 9.755 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.390 4.024 7.791 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -10.637 4.518 8.527 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.587 4.510 9.930 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.531 6.954 9.966 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -10.446 7.032 8.474 1.00 0.00 H new ATOM 770 N ASN A 51 -8.159 6.989 6.715 1.00 0.00 N ATOM 771 CA ASN A 51 -8.329 7.875 5.568 1.00 0.00 C ATOM 772 C ASN A 51 -7.031 7.996 4.777 1.00 0.00 C ATOM 773 O ASN A 51 -7.049 8.175 3.559 1.00 0.00 O ATOM 774 CB ASN A 51 -8.791 9.259 6.030 1.00 0.00 C ATOM 775 CG ASN A 51 -9.955 9.186 7.000 1.00 0.00 C ATOM 776 OD1 ASN A 51 -9.892 9.728 8.103 1.00 0.00 O ATOM 777 ND2 ASN A 51 -11.024 8.514 6.591 1.00 0.00 N ATOM 0 H ASN A 51 -7.452 7.295 7.383 1.00 0.00 H new ATOM 0 HA ASN A 51 -9.090 7.445 4.917 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -7.958 9.777 6.505 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -9.082 9.851 5.162 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -11.838 8.431 7.200 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -11.032 8.081 5.668 1.00 0.00 H new ATOM 784 N TRP A 52 -5.907 7.901 5.478 1.00 0.00 N ATOM 785 CA TRP A 52 -4.599 8.000 4.841 1.00 0.00 C ATOM 786 C TRP A 52 -3.938 6.629 4.738 1.00 0.00 C ATOM 787 O TRP A 52 -4.285 5.705 5.473 1.00 0.00 O ATOM 788 CB TRP A 52 -3.698 8.956 5.625 1.00 0.00 C ATOM 789 CG TRP A 52 -4.172 10.378 5.593 1.00 0.00 C ATOM 790 CD1 TRP A 52 -5.054 10.966 6.453 1.00 0.00 C ATOM 791 CD2 TRP A 52 -3.790 11.387 4.653 1.00 0.00 C ATOM 792 NE1 TRP A 52 -5.244 12.282 6.105 1.00 0.00 N ATOM 793 CE2 TRP A 52 -4.479 12.565 5.005 1.00 0.00 C ATOM 794 CE3 TRP A 52 -2.932 11.413 3.551 1.00 0.00 C ATOM 795 CZ2 TRP A 52 -4.336 13.752 4.291 1.00 0.00 C ATOM 796 CZ3 TRP A 52 -2.791 12.592 2.844 1.00 0.00 C ATOM 797 CH2 TRP A 52 -3.489 13.748 3.215 1.00 0.00 C ATOM 0 H TRP A 52 -5.875 7.756 6.487 1.00 0.00 H new ATOM 0 HA TRP A 52 -4.742 8.390 3.833 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -3.641 8.623 6.661 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -2.688 8.908 5.218 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -5.532 10.470 7.285 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -5.855 12.941 6.588 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -2.388 10.527 3.257 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -4.874 14.644 4.576 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -2.131 12.622 1.990 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -3.357 14.654 2.642 1.00 0.00 H new ATOM 808 N TYR A 53 -2.985 6.504 3.821 1.00 0.00 N ATOM 809 CA TYR A 53 -2.277 5.245 3.620 1.00 0.00 C ATOM 810 C TYR A 53 -0.847 5.493 3.149 1.00 0.00 C ATOM 811 O TYR A 53 -0.603 6.345 2.295 1.00 0.00 O ATOM 812 CB TYR A 53 -3.017 4.376 2.603 1.00 0.00 C ATOM 813 CG TYR A 53 -4.172 3.600 3.195 1.00 0.00 C ATOM 814 CD1 TYR A 53 -3.948 2.475 3.979 1.00 0.00 C ATOM 815 CD2 TYR A 53 -5.486 3.992 2.972 1.00 0.00 C ATOM 816 CE1 TYR A 53 -5.000 1.761 4.522 1.00 0.00 C ATOM 817 CE2 TYR A 53 -6.543 3.286 3.512 1.00 0.00 C ATOM 818 CZ TYR A 53 -6.296 2.172 4.286 1.00 0.00 C ATOM 819 OH TYR A 53 -7.346 1.465 4.825 1.00 0.00 O ATOM 0 H TYR A 53 -2.685 7.259 3.205 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.240 4.722 4.576 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.391 5.011 1.799 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.312 3.676 2.155 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -2.935 2.153 4.167 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -5.684 4.864 2.366 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -4.809 0.887 5.127 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -7.558 3.605 3.329 1.00 0.00 H new ATOM 0 HH TYR A 53 -8.192 1.886 4.565 1.00 0.00 H new ATOM 829 N GLU A 54 0.094 4.742 3.713 1.00 0.00 N ATOM 830 CA GLU A 54 1.499 4.879 3.351 1.00 0.00 C ATOM 831 C GLU A 54 1.974 3.674 2.544 1.00 0.00 C ATOM 832 O GLU A 54 1.933 2.540 3.018 1.00 0.00 O ATOM 833 CB GLU A 54 2.359 5.036 4.608 1.00 0.00 C ATOM 834 CG GLU A 54 3.852 4.957 4.338 1.00 0.00 C ATOM 835 CD GLU A 54 4.682 5.114 5.596 1.00 0.00 C ATOM 836 OE1 GLU A 54 4.363 4.448 6.603 1.00 0.00 O ATOM 837 OE2 GLU A 54 5.650 5.904 5.575 1.00 0.00 O ATOM 0 H GLU A 54 -0.092 4.033 4.422 1.00 0.00 H new ATOM 0 HA GLU A 54 1.603 5.771 2.734 1.00 0.00 H new ATOM 0 HB2 GLU A 54 2.133 5.995 5.075 1.00 0.00 H new ATOM 0 HB3 GLU A 54 2.086 4.260 5.324 1.00 0.00 H new ATOM 0 HG2 GLU A 54 4.083 3.999 3.872 1.00 0.00 H new ATOM 0 HG3 GLU A 54 4.130 5.733 3.625 1.00 0.00 H new ATOM 844 N GLY A 55 2.423 3.930 1.319 1.00 0.00 N ATOM 845 CA GLY A 55 2.899 2.857 0.464 1.00 0.00 C ATOM 846 C GLY A 55 4.024 3.300 -0.450 1.00 0.00 C ATOM 847 O GLY A 55 4.517 4.423 -0.339 1.00 0.00 O ATOM 0 H GLY A 55 2.466 4.860 0.903 1.00 0.00 H new ATOM 0 HA2 GLY A 55 3.243 2.029 1.083 1.00 0.00 H new ATOM 0 HA3 GLY A 55 2.072 2.482 -0.139 1.00 0.00 H new ATOM 851 N ARG A 56 4.432 2.416 -1.354 1.00 0.00 N ATOM 852 CA ARG A 56 5.509 2.721 -2.288 1.00 0.00 C ATOM 853 C ARG A 56 5.133 2.301 -3.707 1.00 0.00 C ATOM 854 O ARG A 56 4.213 1.507 -3.906 1.00 0.00 O ATOM 855 CB ARG A 56 6.798 2.017 -1.862 1.00 0.00 C ATOM 856 CG ARG A 56 6.695 0.500 -1.870 1.00 0.00 C ATOM 857 CD ARG A 56 6.876 -0.063 -3.271 1.00 0.00 C ATOM 858 NE ARG A 56 7.371 -1.438 -3.249 1.00 0.00 N ATOM 859 CZ ARG A 56 8.609 -1.767 -2.900 1.00 0.00 C ATOM 860 NH1 ARG A 56 9.474 -0.828 -2.544 1.00 0.00 N ATOM 861 NH2 ARG A 56 8.984 -3.041 -2.904 1.00 0.00 N ATOM 0 H ARG A 56 4.033 1.483 -1.460 1.00 0.00 H new ATOM 0 HA ARG A 56 5.671 3.799 -2.276 1.00 0.00 H new ATOM 0 HB2 ARG A 56 7.605 2.321 -2.528 1.00 0.00 H new ATOM 0 HB3 ARG A 56 7.069 2.349 -0.860 1.00 0.00 H new ATOM 0 HG2 ARG A 56 7.451 0.079 -1.207 1.00 0.00 H new ATOM 0 HG3 ARG A 56 5.724 0.198 -1.478 1.00 0.00 H new ATOM 0 HD2 ARG A 56 5.924 -0.029 -3.801 1.00 0.00 H new ATOM 0 HD3 ARG A 56 7.573 0.564 -3.827 1.00 0.00 H new ATOM 0 HE ARG A 56 6.731 -2.185 -3.516 1.00 0.00 H new ATOM 0 HH11 ARG A 56 9.189 0.151 -2.537 1.00 0.00 H new ATOM 0 HH12 ARG A 56 10.424 -1.085 -2.277 1.00 0.00 H new ATOM 0 HH21 ARG A 56 8.321 -3.767 -3.175 1.00 0.00 H new ATOM 0 HH22 ARG A 56 9.935 -3.293 -2.636 1.00 0.00 H new ATOM 875 N ILE A 57 5.850 2.839 -4.687 1.00 0.00 N ATOM 876 CA ILE A 57 5.592 2.519 -6.086 1.00 0.00 C ATOM 877 C ILE A 57 6.568 1.466 -6.598 1.00 0.00 C ATOM 878 O ILE A 57 7.757 1.736 -6.770 1.00 0.00 O ATOM 879 CB ILE A 57 5.691 3.772 -6.976 1.00 0.00 C ATOM 880 CG1 ILE A 57 4.730 4.854 -6.482 1.00 0.00 C ATOM 881 CG2 ILE A 57 5.397 3.415 -8.426 1.00 0.00 C ATOM 882 CD1 ILE A 57 3.361 4.324 -6.115 1.00 0.00 C ATOM 0 H ILE A 57 6.614 3.498 -4.539 1.00 0.00 H new ATOM 0 HA ILE A 57 4.577 2.125 -6.139 1.00 0.00 H new ATOM 0 HB ILE A 57 6.707 4.163 -6.917 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.166 5.346 -5.612 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.621 5.613 -7.256 1.00 0.00 H new ATOM 0 HG21 ILE A 57 5.471 4.310 -9.043 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.119 2.675 -8.772 1.00 0.00 H new ATOM 0 HG23 ILE A 57 4.391 3.003 -8.503 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.732 5.146 -5.773 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.905 3.857 -6.988 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.458 3.586 -5.319 1.00 0.00 H new ATOM 894 N THR A 58 6.058 0.264 -6.844 1.00 0.00 N ATOM 895 CA THR A 58 6.882 -0.832 -7.337 1.00 0.00 C ATOM 896 C THR A 58 7.821 -0.358 -8.442 1.00 0.00 C ATOM 897 O THR A 58 7.548 0.632 -9.118 1.00 0.00 O ATOM 898 CB THR A 58 6.019 -1.989 -7.874 1.00 0.00 C ATOM 899 OG1 THR A 58 6.806 -2.836 -8.718 1.00 0.00 O ATOM 900 CG2 THR A 58 4.825 -1.457 -8.652 1.00 0.00 C ATOM 0 H THR A 58 5.076 0.024 -6.709 1.00 0.00 H new ATOM 0 HA THR A 58 7.469 -1.191 -6.492 1.00 0.00 H new ATOM 0 HB THR A 58 5.652 -2.564 -7.024 1.00 0.00 H new ATOM 0 HG1 THR A 58 6.251 -3.570 -9.054 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.230 -2.292 -9.022 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.212 -0.836 -7.998 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.176 -0.861 -9.494 1.00 0.00 H new ATOM 908 N GLY A 59 8.928 -1.072 -8.619 1.00 0.00 N ATOM 909 CA GLY A 59 9.889 -0.710 -9.643 1.00 0.00 C ATOM 910 C GLY A 59 10.734 0.485 -9.249 1.00 0.00 C ATOM 911 O GLY A 59 11.959 0.387 -9.161 1.00 0.00 O ATOM 0 H GLY A 59 9.176 -1.895 -8.071 1.00 0.00 H new ATOM 0 HA2 GLY A 59 10.540 -1.561 -9.843 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.361 -0.488 -10.570 1.00 0.00 H new ATOM 915 N THR A 60 10.081 1.617 -9.009 1.00 0.00 N ATOM 916 CA THR A 60 10.780 2.836 -8.624 1.00 0.00 C ATOM 917 C THR A 60 11.016 2.883 -7.119 1.00 0.00 C ATOM 918 O THR A 60 10.431 2.107 -6.365 1.00 0.00 O ATOM 919 CB THR A 60 9.995 4.093 -9.048 1.00 0.00 C ATOM 920 OG1 THR A 60 8.777 4.186 -8.301 1.00 0.00 O ATOM 921 CG2 THR A 60 9.681 4.057 -10.537 1.00 0.00 C ATOM 0 H THR A 60 9.068 1.715 -9.075 1.00 0.00 H new ATOM 0 HA THR A 60 11.740 2.825 -9.140 1.00 0.00 H new ATOM 0 HB THR A 60 10.613 4.967 -8.843 1.00 0.00 H new ATOM 0 HG1 THR A 60 8.547 3.305 -7.940 1.00 0.00 H new ATOM 0 HG21 THR A 60 9.127 4.954 -10.814 1.00 0.00 H new ATOM 0 HG22 THR A 60 10.611 4.016 -11.104 1.00 0.00 H new ATOM 0 HG23 THR A 60 9.080 3.176 -10.761 1.00 0.00 H new ATOM 929 N GLY A 61 11.876 3.800 -6.687 1.00 0.00 N ATOM 930 CA GLY A 61 12.174 3.932 -5.272 1.00 0.00 C ATOM 931 C GLY A 61 11.396 5.058 -4.618 1.00 0.00 C ATOM 932 O GLY A 61 11.944 5.813 -3.815 1.00 0.00 O ATOM 0 H GLY A 61 12.372 4.455 -7.292 1.00 0.00 H new ATOM 0 HA2 GLY A 61 11.944 2.994 -4.766 1.00 0.00 H new ATOM 0 HA3 GLY A 61 13.242 4.110 -5.144 1.00 0.00 H new ATOM 936 N ARG A 62 10.119 5.171 -4.964 1.00 0.00 N ATOM 937 CA ARG A 62 9.267 6.215 -4.408 1.00 0.00 C ATOM 938 C ARG A 62 8.396 5.663 -3.283 1.00 0.00 C ATOM 939 O ARG A 62 7.865 4.557 -3.382 1.00 0.00 O ATOM 940 CB ARG A 62 8.383 6.819 -5.501 1.00 0.00 C ATOM 941 CG ARG A 62 9.152 7.234 -6.745 1.00 0.00 C ATOM 942 CD ARG A 62 8.217 7.508 -7.912 1.00 0.00 C ATOM 943 NE ARG A 62 7.666 8.860 -7.867 1.00 0.00 N ATOM 944 CZ ARG A 62 8.402 9.958 -7.996 1.00 0.00 C ATOM 945 NH1 ARG A 62 9.712 9.864 -8.179 1.00 0.00 N ATOM 946 NH2 ARG A 62 7.828 11.153 -7.944 1.00 0.00 N ATOM 0 H ARG A 62 9.651 4.553 -5.627 1.00 0.00 H new ATOM 0 HA ARG A 62 9.910 6.994 -3.999 1.00 0.00 H new ATOM 0 HB2 ARG A 62 7.619 6.094 -5.781 1.00 0.00 H new ATOM 0 HB3 ARG A 62 7.864 7.689 -5.098 1.00 0.00 H new ATOM 0 HG2 ARG A 62 9.739 8.127 -6.530 1.00 0.00 H new ATOM 0 HG3 ARG A 62 9.856 6.448 -7.018 1.00 0.00 H new ATOM 0 HD2 ARG A 62 8.756 7.367 -8.849 1.00 0.00 H new ATOM 0 HD3 ARG A 62 7.402 6.784 -7.901 1.00 0.00 H new ATOM 0 HE ARG A 62 6.661 8.967 -7.729 1.00 0.00 H new ATOM 0 HH11 ARG A 62 10.157 8.947 -8.221 1.00 0.00 H new ATOM 0 HH12 ARG A 62 10.275 10.709 -8.278 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.820 11.229 -7.805 1.00 0.00 H new ATOM 0 HH22 ARG A 62 8.394 11.996 -8.043 1.00 0.00 H new ATOM 960 N GLN A 63 8.255 6.442 -2.214 1.00 0.00 N ATOM 961 CA GLN A 63 7.450 6.030 -1.070 1.00 0.00 C ATOM 962 C GLN A 63 6.852 7.241 -0.362 1.00 0.00 C ATOM 963 O GLN A 63 7.511 8.266 -0.201 1.00 0.00 O ATOM 964 CB GLN A 63 8.298 5.217 -0.090 1.00 0.00 C ATOM 965 CG GLN A 63 7.536 4.771 1.148 1.00 0.00 C ATOM 966 CD GLN A 63 8.452 4.298 2.258 1.00 0.00 C ATOM 967 OE1 GLN A 63 9.625 4.668 2.310 1.00 0.00 O ATOM 968 NE2 GLN A 63 7.921 3.475 3.155 1.00 0.00 N ATOM 0 H GLN A 63 8.687 7.361 -2.117 1.00 0.00 H new ATOM 0 HA GLN A 63 6.634 5.407 -1.436 1.00 0.00 H new ATOM 0 HB2 GLN A 63 8.688 4.338 -0.603 1.00 0.00 H new ATOM 0 HB3 GLN A 63 9.156 5.814 0.217 1.00 0.00 H new ATOM 0 HG2 GLN A 63 6.927 5.598 1.513 1.00 0.00 H new ATOM 0 HG3 GLN A 63 6.852 3.966 0.879 1.00 0.00 H new ATOM 0 HE21 GLN A 63 6.944 3.194 3.074 1.00 0.00 H new ATOM 0 HE22 GLN A 63 8.490 3.124 3.925 1.00 0.00 H new ATOM 977 N GLY A 64 5.597 7.113 0.060 1.00 0.00 N ATOM 978 CA GLY A 64 4.932 8.205 0.746 1.00 0.00 C ATOM 979 C GLY A 64 3.495 7.876 1.103 1.00 0.00 C ATOM 980 O GLY A 64 3.056 6.735 0.948 1.00 0.00 O ATOM 0 H GLY A 64 5.030 6.274 -0.061 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.482 8.448 1.655 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.952 9.093 0.114 1.00 0.00 H new ATOM 984 N ILE A 65 2.762 8.875 1.581 1.00 0.00 N ATOM 985 CA ILE A 65 1.368 8.685 1.961 1.00 0.00 C ATOM 986 C ILE A 65 0.428 9.265 0.908 1.00 0.00 C ATOM 987 O ILE A 65 0.843 10.049 0.054 1.00 0.00 O ATOM 988 CB ILE A 65 1.060 9.337 3.322 1.00 0.00 C ATOM 989 CG1 ILE A 65 1.168 10.859 3.219 1.00 0.00 C ATOM 990 CG2 ILE A 65 2.006 8.805 4.389 1.00 0.00 C ATOM 991 CD1 ILE A 65 0.281 11.595 4.198 1.00 0.00 C ATOM 0 H ILE A 65 3.110 9.824 1.714 1.00 0.00 H new ATOM 0 HA ILE A 65 1.206 7.610 2.038 1.00 0.00 H new ATOM 0 HB ILE A 65 0.039 9.083 3.608 1.00 0.00 H new ATOM 0 HG12 ILE A 65 2.204 11.154 3.387 1.00 0.00 H new ATOM 0 HG13 ILE A 65 0.910 11.166 2.205 1.00 0.00 H new ATOM 0 HG21 ILE A 65 1.777 9.275 5.346 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.885 7.725 4.477 1.00 0.00 H new ATOM 0 HG23 ILE A 65 3.035 9.034 4.110 1.00 0.00 H new ATOM 0 HD11 ILE A 65 0.409 12.670 4.068 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -0.760 11.329 4.016 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.554 11.317 5.216 1.00 0.00 H new ATOM 1003 N PHE A 66 -0.841 8.876 0.977 1.00 0.00 N ATOM 1004 CA PHE A 66 -1.841 9.358 0.032 1.00 0.00 C ATOM 1005 C PHE A 66 -3.251 9.053 0.530 1.00 0.00 C ATOM 1006 O PHE A 66 -3.470 8.152 1.340 1.00 0.00 O ATOM 1007 CB PHE A 66 -1.624 8.719 -1.341 1.00 0.00 C ATOM 1008 CG PHE A 66 -1.274 7.260 -1.276 1.00 0.00 C ATOM 1009 CD1 PHE A 66 -2.268 6.295 -1.278 1.00 0.00 C ATOM 1010 CD2 PHE A 66 0.049 6.854 -1.212 1.00 0.00 C ATOM 1011 CE1 PHE A 66 -1.949 4.951 -1.218 1.00 0.00 C ATOM 1012 CE2 PHE A 66 0.374 5.512 -1.153 1.00 0.00 C ATOM 1013 CZ PHE A 66 -0.627 4.560 -1.154 1.00 0.00 C ATOM 0 H PHE A 66 -1.201 8.228 1.678 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.731 10.439 -0.056 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.529 8.841 -1.936 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.827 9.253 -1.859 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.304 6.596 -1.327 1.00 0.00 H new ATOM 0 HD2 PHE A 66 0.835 7.594 -1.208 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -2.733 4.208 -1.221 1.00 0.00 H new ATOM 0 HE2 PHE A 66 1.409 5.208 -1.106 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.375 3.511 -1.105 1.00 0.00 H new ATOM 1023 N PRO A 67 -4.232 9.823 0.034 1.00 0.00 N ATOM 1024 CA PRO A 67 -5.638 9.655 0.414 1.00 0.00 C ATOM 1025 C PRO A 67 -6.237 8.366 -0.138 1.00 0.00 C ATOM 1026 O PRO A 67 -6.016 8.013 -1.295 1.00 0.00 O ATOM 1027 CB PRO A 67 -6.322 10.874 -0.212 1.00 0.00 C ATOM 1028 CG PRO A 67 -5.447 11.252 -1.358 1.00 0.00 C ATOM 1029 CD PRO A 67 -4.044 10.915 -0.935 1.00 0.00 C ATOM 0 HA PRO A 67 -5.763 9.587 1.495 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -7.331 10.633 -0.547 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.410 11.690 0.505 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -5.725 10.705 -2.259 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -5.541 12.313 -1.588 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.434 10.600 -1.782 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -3.544 11.772 -0.483 1.00 0.00 H new ATOM 1037 N ALA A 68 -6.997 7.667 0.699 1.00 0.00 N ATOM 1038 CA ALA A 68 -7.631 6.418 0.294 1.00 0.00 C ATOM 1039 C ALA A 68 -8.690 6.662 -0.774 1.00 0.00 C ATOM 1040 O ALA A 68 -8.665 6.045 -1.840 1.00 0.00 O ATOM 1041 CB ALA A 68 -8.245 5.723 1.501 1.00 0.00 C ATOM 0 H ALA A 68 -7.189 7.944 1.662 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.865 5.771 -0.133 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -8.715 4.792 1.185 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -7.466 5.506 2.231 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -8.995 6.373 1.953 1.00 0.00 H new ATOM 1047 N SER A 69 -9.622 7.564 -0.484 1.00 0.00 N ATOM 1048 CA SER A 69 -10.694 7.886 -1.419 1.00 0.00 C ATOM 1049 C SER A 69 -10.170 7.925 -2.852 1.00 0.00 C ATOM 1050 O SER A 69 -10.912 7.672 -3.802 1.00 0.00 O ATOM 1051 CB SER A 69 -11.328 9.230 -1.059 1.00 0.00 C ATOM 1052 OG SER A 69 -12.524 9.442 -1.788 1.00 0.00 O ATOM 0 H SER A 69 -9.656 8.085 0.392 1.00 0.00 H new ATOM 0 HA SER A 69 -11.452 7.106 -1.348 1.00 0.00 H new ATOM 0 HB2 SER A 69 -11.540 9.261 0.010 1.00 0.00 H new ATOM 0 HB3 SER A 69 -10.624 10.035 -1.268 1.00 0.00 H new ATOM 0 HG SER A 69 -12.910 10.307 -1.538 1.00 0.00 H new ATOM 1058 N TYR A 70 -8.890 8.243 -2.999 1.00 0.00 N ATOM 1059 CA TYR A 70 -8.267 8.318 -4.315 1.00 0.00 C ATOM 1060 C TYR A 70 -7.983 6.923 -4.864 1.00 0.00 C ATOM 1061 O TYR A 70 -8.200 6.652 -6.045 1.00 0.00 O ATOM 1062 CB TYR A 70 -6.969 9.124 -4.242 1.00 0.00 C ATOM 1063 CG TYR A 70 -7.185 10.621 -4.241 1.00 0.00 C ATOM 1064 CD1 TYR A 70 -7.859 11.245 -3.198 1.00 0.00 C ATOM 1065 CD2 TYR A 70 -6.714 11.411 -5.283 1.00 0.00 C ATOM 1066 CE1 TYR A 70 -8.058 12.611 -3.193 1.00 0.00 C ATOM 1067 CE2 TYR A 70 -6.908 12.779 -5.286 1.00 0.00 C ATOM 1068 CZ TYR A 70 -7.582 13.375 -4.239 1.00 0.00 C ATOM 1069 OH TYR A 70 -7.778 14.737 -4.237 1.00 0.00 O ATOM 0 H TYR A 70 -8.262 8.453 -2.223 1.00 0.00 H new ATOM 0 HA TYR A 70 -8.961 8.819 -4.990 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -6.427 8.843 -3.339 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -6.337 8.857 -5.089 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -8.233 10.651 -2.377 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -6.187 10.948 -6.104 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -8.584 13.080 -2.374 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -6.534 13.379 -6.103 1.00 0.00 H new ATOM 0 HH TYR A 70 -7.381 15.126 -5.044 1.00 0.00 H new ATOM 1079 N VAL A 71 -7.497 6.042 -3.996 1.00 0.00 N ATOM 1080 CA VAL A 71 -7.184 4.673 -4.390 1.00 0.00 C ATOM 1081 C VAL A 71 -8.270 3.707 -3.934 1.00 0.00 C ATOM 1082 O VAL A 71 -9.133 4.063 -3.131 1.00 0.00 O ATOM 1083 CB VAL A 71 -5.831 4.217 -3.813 1.00 0.00 C ATOM 1084 CG1 VAL A 71 -4.733 5.205 -4.181 1.00 0.00 C ATOM 1085 CG2 VAL A 71 -5.927 4.051 -2.304 1.00 0.00 C ATOM 0 H VAL A 71 -7.311 6.251 -3.015 1.00 0.00 H new ATOM 0 HA VAL A 71 -7.128 4.663 -5.478 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.576 3.250 -4.247 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.784 4.866 -3.765 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -4.651 5.270 -5.266 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -4.977 6.187 -3.776 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -4.963 3.728 -1.911 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.204 5.003 -1.850 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.684 3.303 -2.068 1.00 0.00 H new ATOM 1095 N GLN A 72 -8.223 2.483 -4.451 1.00 0.00 N ATOM 1096 CA GLN A 72 -9.205 1.466 -4.096 1.00 0.00 C ATOM 1097 C GLN A 72 -8.581 0.393 -3.210 1.00 0.00 C ATOM 1098 O GLN A 72 -7.523 -0.151 -3.526 1.00 0.00 O ATOM 1099 CB GLN A 72 -9.786 0.826 -5.358 1.00 0.00 C ATOM 1100 CG GLN A 72 -10.686 -0.367 -5.076 1.00 0.00 C ATOM 1101 CD GLN A 72 -9.924 -1.677 -5.042 1.00 0.00 C ATOM 1102 OE1 GLN A 72 -9.329 -2.037 -4.026 1.00 0.00 O ATOM 1103 NE2 GLN A 72 -9.938 -2.400 -6.156 1.00 0.00 N ATOM 0 H GLN A 72 -7.515 2.172 -5.117 1.00 0.00 H new ATOM 0 HA GLN A 72 -10.007 1.950 -3.539 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -10.353 1.577 -5.908 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -8.968 0.509 -6.004 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -11.190 -0.219 -4.121 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -11.461 -0.421 -5.841 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -10.444 -2.064 -6.976 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -9.443 -3.291 -6.192 1.00 0.00 H new ATOM 1112 N VAL A 73 -9.243 0.095 -2.096 1.00 0.00 N ATOM 1113 CA VAL A 73 -8.753 -0.912 -1.163 1.00 0.00 C ATOM 1114 C VAL A 73 -9.334 -2.285 -1.481 1.00 0.00 C ATOM 1115 O VAL A 73 -10.551 -2.454 -1.554 1.00 0.00 O ATOM 1116 CB VAL A 73 -9.101 -0.546 0.293 1.00 0.00 C ATOM 1117 CG1 VAL A 73 -8.693 -1.666 1.237 1.00 0.00 C ATOM 1118 CG2 VAL A 73 -8.433 0.764 0.686 1.00 0.00 C ATOM 0 H VAL A 73 -10.119 0.537 -1.818 1.00 0.00 H new ATOM 0 HA VAL A 73 -7.669 -0.944 -1.273 1.00 0.00 H new ATOM 0 HB VAL A 73 -10.180 -0.415 0.369 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -8.946 -1.390 2.260 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -9.221 -2.580 0.967 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -7.618 -1.832 1.162 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -8.689 1.008 1.717 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -7.352 0.663 0.595 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -8.779 1.561 0.028 1.00 0.00 H new ATOM 1128 N SER A 74 -8.455 -3.264 -1.671 1.00 0.00 N ATOM 1129 CA SER A 74 -8.880 -4.623 -1.986 1.00 0.00 C ATOM 1130 C SER A 74 -8.582 -5.569 -0.825 1.00 0.00 C ATOM 1131 O SER A 74 -9.315 -6.527 -0.588 1.00 0.00 O ATOM 1132 CB SER A 74 -8.182 -5.117 -3.253 1.00 0.00 C ATOM 1133 OG SER A 74 -8.804 -6.288 -3.755 1.00 0.00 O ATOM 0 H SER A 74 -7.444 -3.141 -1.612 1.00 0.00 H new ATOM 0 HA SER A 74 -9.957 -4.611 -2.154 1.00 0.00 H new ATOM 0 HB2 SER A 74 -8.204 -4.335 -4.012 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.133 -5.322 -3.038 1.00 0.00 H new ATOM 0 HG SER A 74 -8.340 -6.583 -4.566 1.00 0.00 H new ATOM 1139 N ARG A 75 -7.499 -5.289 -0.107 1.00 0.00 N ATOM 1140 CA ARG A 75 -7.102 -6.115 1.028 1.00 0.00 C ATOM 1141 C ARG A 75 -6.269 -5.309 2.021 1.00 0.00 C ATOM 1142 O ARG A 75 -5.098 -5.021 1.773 1.00 0.00 O ATOM 1143 CB ARG A 75 -6.308 -7.331 0.548 1.00 0.00 C ATOM 1144 CG ARG A 75 -6.077 -8.373 1.630 1.00 0.00 C ATOM 1145 CD ARG A 75 -5.354 -9.593 1.082 1.00 0.00 C ATOM 1146 NE ARG A 75 -6.282 -10.584 0.545 1.00 0.00 N ATOM 1147 CZ ARG A 75 -5.922 -11.815 0.195 1.00 0.00 C ATOM 1148 NH1 ARG A 75 -4.660 -12.202 0.325 1.00 0.00 N ATOM 1149 NH2 ARG A 75 -6.824 -12.660 -0.286 1.00 0.00 N ATOM 0 H ARG A 75 -6.882 -4.498 -0.290 1.00 0.00 H new ATOM 0 HA ARG A 75 -8.006 -6.456 1.531 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.838 -7.795 -0.284 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.344 -6.997 0.165 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.493 -7.935 2.439 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -7.034 -8.676 2.055 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -4.662 -9.283 0.299 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -4.757 -10.047 1.873 1.00 0.00 H new ATOM 0 HE ARG A 75 -7.260 -10.317 0.432 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -3.964 -11.555 0.694 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -4.386 -13.147 0.056 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -7.795 -12.366 -0.388 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -6.546 -13.604 -0.554 1.00 0.00 H new ATOM 1163 N GLU A 76 -6.881 -4.949 3.144 1.00 0.00 N ATOM 1164 CA GLU A 76 -6.196 -4.175 4.172 1.00 0.00 C ATOM 1165 C GLU A 76 -4.984 -4.933 4.707 1.00 0.00 C ATOM 1166 O GLU A 76 -4.941 -6.164 4.709 1.00 0.00 O ATOM 1167 CB GLU A 76 -7.153 -3.850 5.321 1.00 0.00 C ATOM 1168 CG GLU A 76 -8.384 -3.072 4.885 1.00 0.00 C ATOM 1169 CD GLU A 76 -9.514 -3.974 4.431 1.00 0.00 C ATOM 1170 OE1 GLU A 76 -10.025 -4.752 5.265 1.00 0.00 O ATOM 1171 OE2 GLU A 76 -9.889 -3.903 3.242 1.00 0.00 O ATOM 0 H GLU A 76 -7.849 -5.181 3.365 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.852 -3.245 3.720 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.469 -4.780 5.793 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.618 -3.274 6.077 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.729 -2.452 5.712 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.114 -2.397 4.072 1.00 0.00 H new ATOM 1178 N PRO A 77 -3.973 -4.183 5.169 1.00 0.00 N ATOM 1179 CA PRO A 77 -2.741 -4.762 5.713 1.00 0.00 C ATOM 1180 C PRO A 77 -2.970 -5.454 7.053 1.00 0.00 C ATOM 1181 O PRO A 77 -4.109 -5.673 7.463 1.00 0.00 O ATOM 1182 CB PRO A 77 -1.826 -3.548 5.888 1.00 0.00 C ATOM 1183 CG PRO A 77 -2.753 -2.392 6.041 1.00 0.00 C ATOM 1184 CD PRO A 77 -3.955 -2.711 5.195 1.00 0.00 C ATOM 0 HA PRO A 77 -2.329 -5.532 5.061 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -1.184 -3.659 6.762 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -1.171 -3.419 5.026 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -3.036 -2.254 7.085 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -2.280 -1.466 5.714 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -4.870 -2.306 5.627 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -3.863 -2.292 4.193 1.00 0.00 H new ATOM 1192 N ARG A 78 -1.878 -5.796 7.730 1.00 0.00 N ATOM 1193 CA ARG A 78 -1.959 -6.464 9.023 1.00 0.00 C ATOM 1194 C ARG A 78 -1.050 -5.786 10.044 1.00 0.00 C ATOM 1195 O ARG A 78 0.071 -6.234 10.288 1.00 0.00 O ATOM 1196 CB ARG A 78 -1.577 -7.939 8.884 1.00 0.00 C ATOM 1197 CG ARG A 78 -1.755 -8.738 10.164 1.00 0.00 C ATOM 1198 CD ARG A 78 -0.525 -8.648 11.054 1.00 0.00 C ATOM 1199 NE ARG A 78 -0.359 -9.840 11.881 1.00 0.00 N ATOM 1200 CZ ARG A 78 0.132 -10.988 11.426 1.00 0.00 C ATOM 1201 NH1 ARG A 78 0.503 -11.098 10.158 1.00 0.00 N ATOM 1202 NH2 ARG A 78 0.253 -12.028 12.240 1.00 0.00 N ATOM 0 H ARG A 78 -0.927 -5.621 7.404 1.00 0.00 H new ATOM 0 HA ARG A 78 -2.988 -6.394 9.376 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -2.182 -8.390 8.097 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -0.537 -8.008 8.565 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.625 -8.369 10.706 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -1.952 -9.782 9.918 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.361 -8.510 10.435 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.605 -7.770 11.695 1.00 0.00 H new ATOM 0 HE ARG A 78 -0.635 -9.789 12.862 1.00 0.00 H new ATOM 0 HH11 ARG A 78 0.412 -10.300 9.529 1.00 0.00 H new ATOM 0 HH12 ARG A 78 0.880 -11.980 9.812 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -0.031 -11.947 13.216 1.00 0.00 H new ATOM 0 HH22 ARG A 78 0.630 -12.909 11.890 1.00 0.00 H new ATOM 1216 N LEU A 79 -1.541 -4.703 10.637 1.00 0.00 N ATOM 1217 CA LEU A 79 -0.773 -3.962 11.632 1.00 0.00 C ATOM 1218 C LEU A 79 -1.290 -4.243 13.039 1.00 0.00 C ATOM 1219 O LEU A 79 -1.460 -3.326 13.843 1.00 0.00 O ATOM 1220 CB LEU A 79 -0.840 -2.461 11.341 1.00 0.00 C ATOM 1221 CG LEU A 79 0.204 -1.919 10.364 1.00 0.00 C ATOM 1222 CD1 LEU A 79 1.596 -2.387 10.757 1.00 0.00 C ATOM 1223 CD2 LEU A 79 -0.124 -2.349 8.942 1.00 0.00 C ATOM 0 H LEU A 79 -2.466 -4.319 10.446 1.00 0.00 H new ATOM 0 HA LEU A 79 0.264 -4.291 11.574 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.830 -2.231 10.947 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.739 -1.924 12.284 1.00 0.00 H new ATOM 0 HG LEU A 79 0.184 -0.830 10.407 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.326 -1.992 10.050 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.831 -2.029 11.759 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.631 -3.476 10.743 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.629 -1.955 8.260 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.132 -3.437 8.884 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.104 -1.963 8.662 1.00 0.00 H new ATOM 1235 N ARG A 80 -1.536 -5.516 13.330 1.00 0.00 N ATOM 1236 CA ARG A 80 -2.032 -5.918 14.640 1.00 0.00 C ATOM 1237 C ARG A 80 -3.346 -5.213 14.964 1.00 0.00 C ATOM 1238 O ARG A 80 -3.533 -4.699 16.068 1.00 0.00 O ATOM 1239 CB ARG A 80 -0.995 -5.606 15.720 1.00 0.00 C ATOM 1240 CG ARG A 80 0.275 -6.431 15.600 1.00 0.00 C ATOM 1241 CD ARG A 80 1.255 -6.114 16.719 1.00 0.00 C ATOM 1242 NE ARG A 80 1.890 -4.811 16.537 1.00 0.00 N ATOM 1243 CZ ARG A 80 2.891 -4.371 17.290 1.00 0.00 C ATOM 1244 NH1 ARG A 80 3.370 -5.125 18.271 1.00 0.00 N ATOM 1245 NH2 ARG A 80 3.418 -3.174 17.062 1.00 0.00 N ATOM 0 H ARG A 80 -1.400 -6.287 12.676 1.00 0.00 H new ATOM 0 HA ARG A 80 -2.212 -6.993 14.618 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -0.737 -4.548 15.670 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -1.440 -5.779 16.700 1.00 0.00 H new ATOM 0 HG2 ARG A 80 0.025 -7.492 15.624 1.00 0.00 H new ATOM 0 HG3 ARG A 80 0.746 -6.237 14.637 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.732 -6.132 17.675 1.00 0.00 H new ATOM 0 HD3 ARG A 80 2.021 -6.888 16.760 1.00 0.00 H new ATOM 0 HE ARG A 80 1.546 -4.207 15.791 1.00 0.00 H new ATOM 0 HH11 ARG A 80 2.969 -6.046 18.449 1.00 0.00 H new ATOM 0 HH12 ARG A 80 4.139 -4.784 18.847 1.00 0.00 H new ATOM 0 HH21 ARG A 80 3.054 -2.592 16.308 1.00 0.00 H new ATOM 0 HH22 ARG A 80 4.187 -2.837 17.641 1.00 0.00 H new ATOM 1259 N LEU A 81 -4.254 -5.190 13.995 1.00 0.00 N ATOM 1260 CA LEU A 81 -5.551 -4.547 14.175 1.00 0.00 C ATOM 1261 C LEU A 81 -5.429 -3.314 15.065 1.00 0.00 C ATOM 1262 O LEU A 81 -6.309 -3.034 15.879 1.00 0.00 O ATOM 1263 CB LEU A 81 -6.551 -5.532 14.784 1.00 0.00 C ATOM 1264 CG LEU A 81 -6.583 -6.927 14.159 1.00 0.00 C ATOM 1265 CD1 LEU A 81 -6.994 -7.965 15.193 1.00 0.00 C ATOM 1266 CD2 LEU A 81 -7.527 -6.956 12.967 1.00 0.00 C ATOM 0 H LEU A 81 -4.116 -5.610 13.076 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.911 -4.232 13.196 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.327 -5.636 15.846 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.549 -5.099 14.709 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.580 -7.170 13.808 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.011 -8.952 14.731 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.279 -7.962 16.016 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.987 -7.725 15.574 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -7.537 -7.957 12.535 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.533 -6.692 13.293 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -7.189 -6.241 12.217 1.00 0.00 H new ATOM 1278 N CYS A 82 -4.333 -2.580 14.902 1.00 0.00 N ATOM 1279 CA CYS A 82 -4.096 -1.376 15.690 1.00 0.00 C ATOM 1280 C CYS A 82 -5.400 -0.625 15.942 1.00 0.00 C ATOM 1281 O CYS A 82 -6.267 -0.558 15.071 1.00 0.00 O ATOM 1282 CB CYS A 82 -3.098 -0.463 14.976 1.00 0.00 C ATOM 1283 SG CYS A 82 -2.225 0.677 16.075 1.00 0.00 S ATOM 0 H CYS A 82 -3.596 -2.798 14.232 1.00 0.00 H new ATOM 0 HA CYS A 82 -3.680 -1.677 16.651 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -2.366 -1.080 14.454 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -3.627 0.114 14.218 1.00 0.00 H new ATOM 0 HG CYS A 82 -1.402 1.405 15.380 1.00 0.00 H new ATOM 1289 N ASP A 83 -5.531 -0.065 17.139 1.00 0.00 N ATOM 1290 CA ASP A 83 -6.730 0.681 17.506 1.00 0.00 C ATOM 1291 C ASP A 83 -7.236 1.510 16.331 1.00 0.00 C ATOM 1292 O ASP A 83 -6.662 2.546 15.995 1.00 0.00 O ATOM 1293 CB ASP A 83 -6.443 1.591 18.702 1.00 0.00 C ATOM 1294 CG ASP A 83 -7.688 2.294 19.205 1.00 0.00 C ATOM 1295 OD1 ASP A 83 -8.454 2.817 18.369 1.00 0.00 O ATOM 1296 OD2 ASP A 83 -7.897 2.321 20.436 1.00 0.00 O ATOM 0 H ASP A 83 -4.823 -0.113 17.872 1.00 0.00 H new ATOM 0 HA ASP A 83 -7.504 -0.036 17.781 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -6.012 1.000 19.510 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -5.698 2.335 18.419 1.00 0.00 H new ATOM 1301 N ASP A 84 -8.314 1.045 15.707 1.00 0.00 N ATOM 1302 CA ASP A 84 -8.898 1.742 14.568 1.00 0.00 C ATOM 1303 C ASP A 84 -10.381 2.014 14.799 1.00 0.00 C ATOM 1304 O ASP A 84 -11.213 1.115 14.676 1.00 0.00 O ATOM 1305 CB ASP A 84 -8.710 0.924 13.290 1.00 0.00 C ATOM 1306 CG ASP A 84 -9.536 -0.347 13.289 1.00 0.00 C ATOM 1307 OD1 ASP A 84 -9.347 -1.178 14.203 1.00 0.00 O ATOM 1308 OD2 ASP A 84 -10.372 -0.512 12.376 1.00 0.00 O ATOM 0 H ASP A 84 -8.800 0.188 15.972 1.00 0.00 H new ATOM 0 HA ASP A 84 -8.385 2.697 14.457 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -8.985 1.533 12.429 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -7.656 0.669 13.177 1.00 0.00 H new ATOM 1313 N SER A 85 -10.705 3.258 15.136 1.00 0.00 N ATOM 1314 CA SER A 85 -12.087 3.647 15.390 1.00 0.00 C ATOM 1315 C SER A 85 -12.661 2.870 16.570 1.00 0.00 C ATOM 1316 O SER A 85 -13.821 2.460 16.553 1.00 0.00 O ATOM 1317 CB SER A 85 -12.943 3.409 14.144 1.00 0.00 C ATOM 1318 OG SER A 85 -14.217 4.017 14.276 1.00 0.00 O ATOM 0 H SER A 85 -10.029 4.014 15.240 1.00 0.00 H new ATOM 0 HA SER A 85 -12.101 4.709 15.635 1.00 0.00 H new ATOM 0 HB2 SER A 85 -12.434 3.810 13.267 1.00 0.00 H new ATOM 0 HB3 SER A 85 -13.063 2.338 13.981 1.00 0.00 H new ATOM 0 HG SER A 85 -14.627 3.737 15.121 1.00 0.00 H new ATOM 1324 N GLY A 86 -11.840 2.672 17.597 1.00 0.00 N ATOM 1325 CA GLY A 86 -12.282 1.946 18.773 1.00 0.00 C ATOM 1326 C GLY A 86 -11.179 1.107 19.386 1.00 0.00 C ATOM 1327 O GLY A 86 -10.219 0.722 18.718 1.00 0.00 O ATOM 0 H GLY A 86 -10.876 3.002 17.635 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -12.651 2.654 19.515 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -13.118 1.301 18.504 1.00 0.00 H new ATOM 1331 N PRO A 87 -11.309 0.812 20.687 1.00 0.00 N ATOM 1332 CA PRO A 87 -10.322 0.011 21.420 1.00 0.00 C ATOM 1333 C PRO A 87 -10.327 -1.451 20.988 1.00 0.00 C ATOM 1334 O PRO A 87 -9.440 -2.220 21.357 1.00 0.00 O ATOM 1335 CB PRO A 87 -10.773 0.140 22.877 1.00 0.00 C ATOM 1336 CG PRO A 87 -12.232 0.429 22.798 1.00 0.00 C ATOM 1337 CD PRO A 87 -12.427 1.236 21.545 1.00 0.00 C ATOM 0 HA PRO A 87 -9.303 0.356 21.243 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -10.581 -0.777 23.434 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -10.238 0.941 23.388 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -12.811 -0.494 22.762 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -12.568 0.982 23.675 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -13.391 1.029 21.080 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -12.394 2.306 21.748 1.00 0.00 H new ATOM 1345 N SER A 88 -11.331 -1.828 20.203 1.00 0.00 N ATOM 1346 CA SER A 88 -11.453 -3.200 19.723 1.00 0.00 C ATOM 1347 C SER A 88 -11.651 -4.167 20.887 1.00 0.00 C ATOM 1348 O SER A 88 -11.061 -5.246 20.919 1.00 0.00 O ATOM 1349 CB SER A 88 -10.209 -3.595 18.924 1.00 0.00 C ATOM 1350 OG SER A 88 -10.496 -4.654 18.027 1.00 0.00 O ATOM 0 H SER A 88 -12.072 -1.203 19.886 1.00 0.00 H new ATOM 0 HA SER A 88 -12.327 -3.256 19.074 1.00 0.00 H new ATOM 0 HB2 SER A 88 -9.841 -2.733 18.368 1.00 0.00 H new ATOM 0 HB3 SER A 88 -9.415 -3.897 19.607 1.00 0.00 H new ATOM 0 HG SER A 88 -9.686 -4.888 17.527 1.00 0.00 H new ATOM 1356 N SER A 89 -12.488 -3.771 21.840 1.00 0.00 N ATOM 1357 CA SER A 89 -12.763 -4.599 23.008 1.00 0.00 C ATOM 1358 C SER A 89 -14.230 -5.018 23.045 1.00 0.00 C ATOM 1359 O SER A 89 -15.115 -4.198 23.278 1.00 0.00 O ATOM 1360 CB SER A 89 -12.404 -3.846 24.291 1.00 0.00 C ATOM 1361 OG SER A 89 -12.986 -2.553 24.303 1.00 0.00 O ATOM 0 H SER A 89 -12.988 -2.882 21.826 1.00 0.00 H new ATOM 0 HA SER A 89 -12.148 -5.496 22.938 1.00 0.00 H new ATOM 0 HB2 SER A 89 -12.748 -4.411 25.157 1.00 0.00 H new ATOM 0 HB3 SER A 89 -11.321 -3.762 24.376 1.00 0.00 H new ATOM 0 HG SER A 89 -13.906 -2.605 23.969 1.00 0.00 H new ATOM 1367 N GLY A 90 -14.477 -6.303 22.811 1.00 0.00 N ATOM 1368 CA GLY A 90 -15.837 -6.810 22.821 1.00 0.00 C ATOM 1369 C GLY A 90 -16.072 -7.863 21.756 1.00 0.00 C ATOM 1370 O GLY A 90 -15.868 -7.610 20.569 1.00 0.00 O ATOM 0 H GLY A 90 -13.760 -7.002 22.615 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -16.056 -7.234 23.801 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -16.531 -5.983 22.669 1.00 0.00 H new TER 1374 GLY A 90