USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 686 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 45 THR OG1 : rot -108:sc= 0.13 USER MOD Set 1.2: A 50 HIS : no HD1:sc= -3.4! C(o=-3.3!,f=-3.1!) USER MOD Set 2.1: A 35 SER OG : rot -136:sc= 0.374 USER MOD Set 2.2: A 63 THR OG1 : rot 80:sc= -0.736 USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 13:sc= 0.364! USER MOD Single : A 2 MET CE :methyl 139:sc= -0.158 (180deg=-0.927) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 154:sc= -0.0754 (180deg=-0.476) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 HIS :FLIP no HD1:sc= -3.33! F(o=-4.8,f=-3.3!) USER MOD Single : A 22 SER OG : rot 77:sc= 1.06 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -135:sc= -1.18 (180deg=-3.87!) USER MOD Single : A 31 LYS NZ :NH3+ -119:sc= -0.616 (180deg=-2.11!) USER MOD Single : A 32 SER OG : rot 76:sc= 0.822 USER MOD Single : A 33 THR OG1 : rot 160:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.0225 K(o=-0.022,f=-1.7!) USER MOD Single : A 36 LYS NZ :NH3+ -151:sc= -0.12 (180deg=-0.794) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 31:sc= -0.858 USER MOD Single : A 51 LYS NZ :NH3+ 162:sc= -0.497 (180deg=-0.514) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.153) USER MOD Single : A 68 MET CE :methyl -167:sc= -3.51! (180deg=-4.02!) USER MOD Single : A 71 ASN : amide:sc= -0.0339 K(o=-0.034,f=-1.9!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 1.508 -31.162 -18.581 1.00 0.00 N ATOM 2 CA SER A 1 0.061 -30.811 -18.538 1.00 0.00 C ATOM 3 C SER A 1 -0.140 -29.407 -19.112 1.00 0.00 C ATOM 4 O SER A 1 0.544 -28.471 -18.747 1.00 0.00 O ATOM 5 CB SER A 1 -0.429 -30.844 -17.089 1.00 0.00 C ATOM 6 OG SER A 1 0.041 -29.692 -16.404 1.00 0.00 O ATOM 0 H1 SER A 1 1.645 -32.116 -18.191 1.00 0.00 H new ATOM 0 H2 SER A 1 1.842 -31.139 -19.566 1.00 0.00 H new ATOM 0 H3 SER A 1 2.049 -30.476 -18.016 1.00 0.00 H new ATOM 0 HA SER A 1 -0.505 -31.530 -19.130 1.00 0.00 H new ATOM 0 HB2 SER A 1 -1.518 -30.877 -17.063 1.00 0.00 H new ATOM 0 HB3 SER A 1 -0.071 -31.746 -16.593 1.00 0.00 H new ATOM 0 HG SER A 1 0.394 -29.047 -17.052 1.00 0.00 H new ATOM 14 N MET A 2 -1.076 -29.251 -20.009 1.00 0.00 N ATOM 15 CA MET A 2 -1.319 -27.906 -20.605 1.00 0.00 C ATOM 16 C MET A 2 -1.662 -26.911 -19.493 1.00 0.00 C ATOM 17 O MET A 2 -1.296 -25.754 -19.550 1.00 0.00 O ATOM 18 CB MET A 2 -2.486 -27.989 -21.591 1.00 0.00 C ATOM 19 CG MET A 2 -2.097 -28.887 -22.767 1.00 0.00 C ATOM 20 SD MET A 2 -3.406 -28.847 -24.017 1.00 0.00 S ATOM 21 CE MET A 2 -3.081 -27.176 -24.632 1.00 0.00 C ATOM 0 H MET A 2 -1.682 -29.995 -20.354 1.00 0.00 H new ATOM 0 HA MET A 2 -0.423 -27.573 -21.129 1.00 0.00 H new ATOM 0 HB2 MET A 2 -3.370 -28.387 -21.092 1.00 0.00 H new ATOM 0 HB3 MET A 2 -2.744 -26.993 -21.950 1.00 0.00 H new ATOM 0 HG2 MET A 2 -1.156 -28.549 -23.200 1.00 0.00 H new ATOM 0 HG3 MET A 2 -1.941 -29.909 -22.422 1.00 0.00 H new ATOM 0 HE1 MET A 2 -3.170 -27.164 -25.718 1.00 0.00 H new ATOM 0 HE2 MET A 2 -3.803 -26.483 -24.201 1.00 0.00 H new ATOM 0 HE3 MET A 2 -2.073 -26.873 -24.348 1.00 0.00 H new ATOM 31 N GLY A 3 -2.361 -27.352 -18.484 1.00 0.00 N ATOM 32 CA GLY A 3 -2.725 -26.431 -17.371 1.00 0.00 C ATOM 33 C GLY A 3 -4.138 -25.886 -17.600 1.00 0.00 C ATOM 34 O GLY A 3 -4.698 -25.216 -16.755 1.00 0.00 O ATOM 0 H GLY A 3 -2.696 -28.310 -18.382 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -2.677 -26.958 -16.418 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -2.011 -25.609 -17.317 1.00 0.00 H new ATOM 38 N GLY A 4 -4.718 -26.168 -18.735 1.00 0.00 N ATOM 39 CA GLY A 4 -6.092 -25.665 -19.014 1.00 0.00 C ATOM 40 C GLY A 4 -7.044 -26.141 -17.914 1.00 0.00 C ATOM 41 O GLY A 4 -8.015 -25.485 -17.593 1.00 0.00 O ATOM 0 H GLY A 4 -4.300 -26.725 -19.480 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.089 -24.576 -19.061 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.432 -26.025 -19.985 1.00 0.00 H new ATOM 45 N GLN A 5 -6.774 -27.278 -17.335 1.00 0.00 N ATOM 46 CA GLN A 5 -7.663 -27.794 -16.256 1.00 0.00 C ATOM 47 C GLN A 5 -7.415 -27.005 -14.969 1.00 0.00 C ATOM 48 O GLN A 5 -6.295 -26.663 -14.645 1.00 0.00 O ATOM 49 CB GLN A 5 -7.363 -29.276 -16.014 1.00 0.00 C ATOM 50 CG GLN A 5 -7.692 -30.076 -17.274 1.00 0.00 C ATOM 51 CD GLN A 5 -7.347 -31.549 -17.047 1.00 0.00 C ATOM 52 OE1 GLN A 5 -6.632 -31.883 -16.123 1.00 0.00 O ATOM 53 NE2 GLN A 5 -7.829 -32.452 -17.857 1.00 0.00 N ATOM 0 H GLN A 5 -5.977 -27.872 -17.562 1.00 0.00 H new ATOM 0 HA GLN A 5 -8.704 -27.679 -16.556 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -6.313 -29.407 -15.751 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -7.951 -29.644 -15.173 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -8.749 -29.972 -17.518 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -7.130 -29.686 -18.122 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -8.429 -32.173 -18.633 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -7.605 -33.437 -17.714 1.00 0.00 H new ATOM 62 N LYS A 6 -8.453 -26.713 -14.233 1.00 0.00 N ATOM 63 CA LYS A 6 -8.277 -25.945 -12.968 1.00 0.00 C ATOM 64 C LYS A 6 -8.960 -26.689 -11.819 1.00 0.00 C ATOM 65 O LYS A 6 -9.984 -27.319 -11.997 1.00 0.00 O ATOM 66 CB LYS A 6 -8.905 -24.558 -13.122 1.00 0.00 C ATOM 67 CG LYS A 6 -8.215 -23.808 -14.263 1.00 0.00 C ATOM 68 CD LYS A 6 -8.758 -22.379 -14.336 1.00 0.00 C ATOM 69 CE LYS A 6 -8.137 -21.657 -15.534 1.00 0.00 C ATOM 70 NZ LYS A 6 -8.976 -21.891 -16.743 1.00 0.00 N ATOM 0 H LYS A 6 -9.414 -26.973 -14.453 1.00 0.00 H new ATOM 0 HA LYS A 6 -7.214 -25.841 -12.752 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.972 -24.651 -13.327 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.806 -23.997 -12.192 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -7.137 -23.791 -14.102 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -8.388 -24.323 -15.208 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -9.844 -22.396 -14.431 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -8.527 -21.843 -13.415 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -8.063 -20.589 -15.330 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -7.123 -22.020 -15.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -8.555 -21.401 -17.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -9.024 -22.911 -16.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -9.935 -21.525 -16.576 1.00 0.00 H new ATOM 84 N ILE A 7 -8.403 -26.622 -10.641 1.00 0.00 N ATOM 85 CA ILE A 7 -9.022 -27.324 -9.481 1.00 0.00 C ATOM 86 C ILE A 7 -9.556 -26.290 -8.488 1.00 0.00 C ATOM 87 O ILE A 7 -8.915 -25.297 -8.207 1.00 0.00 O ATOM 88 CB ILE A 7 -7.971 -28.198 -8.793 1.00 0.00 C ATOM 89 CG1 ILE A 7 -7.399 -29.199 -9.800 1.00 0.00 C ATOM 90 CG2 ILE A 7 -8.619 -28.956 -7.633 1.00 0.00 C ATOM 91 CD1 ILE A 7 -6.266 -29.991 -9.144 1.00 0.00 C ATOM 0 H ILE A 7 -7.545 -26.111 -10.431 1.00 0.00 H new ATOM 0 HA ILE A 7 -9.842 -27.951 -9.830 1.00 0.00 H new ATOM 0 HB ILE A 7 -7.168 -27.567 -8.412 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -8.182 -29.877 -10.140 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -7.028 -28.674 -10.680 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -7.871 -29.579 -7.142 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -9.026 -28.244 -6.915 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -9.423 -29.586 -8.014 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -5.858 -30.704 -9.861 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.480 -29.306 -8.826 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -6.652 -30.528 -8.277 1.00 0.00 H new ATOM 103 N ARG A 8 -10.726 -26.512 -7.956 1.00 0.00 N ATOM 104 CA ARG A 8 -11.300 -25.539 -6.984 1.00 0.00 C ATOM 105 C ARG A 8 -11.608 -26.254 -5.666 1.00 0.00 C ATOM 106 O ARG A 8 -12.156 -27.338 -5.650 1.00 0.00 O ATOM 107 CB ARG A 8 -12.589 -24.947 -7.557 1.00 0.00 C ATOM 108 CG ARG A 8 -12.265 -24.151 -8.823 1.00 0.00 C ATOM 109 CD ARG A 8 -13.544 -23.505 -9.361 1.00 0.00 C ATOM 110 NE ARG A 8 -14.586 -24.552 -9.551 1.00 0.00 N ATOM 111 CZ ARG A 8 -15.845 -24.261 -9.365 1.00 0.00 C ATOM 112 NH1 ARG A 8 -16.461 -23.466 -10.195 1.00 0.00 N ATOM 113 NH2 ARG A 8 -16.488 -24.767 -8.348 1.00 0.00 N ATOM 0 H ARG A 8 -11.310 -27.325 -8.152 1.00 0.00 H new ATOM 0 HA ARG A 8 -10.582 -24.739 -6.803 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -13.297 -25.743 -7.786 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -13.064 -24.300 -6.819 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -11.522 -23.384 -8.603 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -11.831 -24.808 -9.577 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -13.900 -22.744 -8.666 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -13.341 -23.003 -10.307 1.00 0.00 H new ATOM 0 HE ARG A 8 -14.316 -25.496 -9.826 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -15.959 -23.071 -10.990 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -17.445 -23.239 -10.049 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -16.007 -25.390 -7.699 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -17.472 -24.540 -8.202 1.00 0.00 H new ATOM 127 N ILE A 9 -11.261 -25.653 -4.561 1.00 0.00 N ATOM 128 CA ILE A 9 -11.535 -26.297 -3.245 1.00 0.00 C ATOM 129 C ILE A 9 -12.524 -25.438 -2.454 1.00 0.00 C ATOM 130 O ILE A 9 -12.425 -24.227 -2.425 1.00 0.00 O ATOM 131 CB ILE A 9 -10.228 -26.424 -2.457 1.00 0.00 C ATOM 132 CG1 ILE A 9 -9.244 -27.296 -3.239 1.00 0.00 C ATOM 133 CG2 ILE A 9 -10.513 -27.068 -1.099 1.00 0.00 C ATOM 134 CD1 ILE A 9 -7.892 -27.305 -2.523 1.00 0.00 C ATOM 0 H ILE A 9 -10.800 -24.744 -4.512 1.00 0.00 H new ATOM 0 HA ILE A 9 -11.960 -27.287 -3.407 1.00 0.00 H new ATOM 0 HB ILE A 9 -9.796 -25.435 -2.307 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.630 -28.312 -3.324 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -9.128 -26.913 -4.253 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -9.583 -27.159 -0.537 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -11.214 -26.447 -0.542 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.945 -28.058 -1.249 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -7.190 -27.926 -3.079 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -7.506 -26.287 -2.461 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -8.015 -27.708 -1.518 1.00 0.00 H new ATOM 146 N LYS A 10 -13.479 -26.054 -1.812 1.00 0.00 N ATOM 147 CA LYS A 10 -14.472 -25.270 -1.025 1.00 0.00 C ATOM 148 C LYS A 10 -14.250 -25.515 0.468 1.00 0.00 C ATOM 149 O LYS A 10 -14.183 -26.640 0.920 1.00 0.00 O ATOM 150 CB LYS A 10 -15.887 -25.709 -1.407 1.00 0.00 C ATOM 151 CG LYS A 10 -16.884 -24.620 -1.007 1.00 0.00 C ATOM 152 CD LYS A 10 -18.309 -25.108 -1.277 1.00 0.00 C ATOM 153 CE LYS A 10 -19.309 -24.078 -0.744 1.00 0.00 C ATOM 154 NZ LYS A 10 -20.133 -23.558 -1.872 1.00 0.00 N ATOM 0 H LYS A 10 -13.614 -27.065 -1.799 1.00 0.00 H new ATOM 0 HA LYS A 10 -14.349 -24.209 -1.241 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -15.945 -25.894 -2.480 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -16.136 -26.646 -0.908 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -16.766 -24.374 0.048 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -16.688 -23.708 -1.570 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -18.458 -25.256 -2.347 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -18.472 -26.072 -0.796 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -19.951 -24.534 0.010 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -18.780 -23.259 -0.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -21.051 -23.230 -1.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -19.637 -22.765 -2.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -20.287 -24.316 -2.568 1.00 0.00 H new ATOM 168 N LEU A 11 -14.141 -24.468 1.239 1.00 0.00 N ATOM 169 CA LEU A 11 -13.927 -24.640 2.704 1.00 0.00 C ATOM 170 C LEU A 11 -15.167 -24.151 3.456 1.00 0.00 C ATOM 171 O LEU A 11 -15.557 -23.006 3.349 1.00 0.00 O ATOM 172 CB LEU A 11 -12.709 -23.826 3.142 1.00 0.00 C ATOM 173 CG LEU A 11 -11.469 -24.322 2.396 1.00 0.00 C ATOM 174 CD1 LEU A 11 -11.529 -23.856 0.940 1.00 0.00 C ATOM 175 CD2 LEU A 11 -10.214 -23.756 3.060 1.00 0.00 C ATOM 0 H LEU A 11 -14.191 -23.501 0.918 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.756 -25.693 2.927 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -12.872 -22.768 2.936 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -12.562 -23.922 4.218 1.00 0.00 H new ATOM 0 HG LEU A 11 -11.438 -25.411 2.428 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -10.646 -24.209 0.408 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -12.424 -24.259 0.465 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -11.561 -22.767 0.908 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -9.330 -24.109 2.529 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -10.245 -22.667 3.028 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -10.170 -24.088 4.097 1.00 0.00 H new ATOM 187 N LYS A 12 -15.789 -25.012 4.215 1.00 0.00 N ATOM 188 CA LYS A 12 -17.003 -24.594 4.970 1.00 0.00 C ATOM 189 C LYS A 12 -16.733 -24.700 6.470 1.00 0.00 C ATOM 190 O LYS A 12 -16.123 -25.642 6.937 1.00 0.00 O ATOM 191 CB LYS A 12 -18.173 -25.504 4.593 1.00 0.00 C ATOM 192 CG LYS A 12 -18.370 -25.476 3.076 1.00 0.00 C ATOM 193 CD LYS A 12 -19.523 -26.407 2.694 1.00 0.00 C ATOM 194 CE LYS A 12 -20.829 -25.864 3.276 1.00 0.00 C ATOM 195 NZ LYS A 12 -21.948 -26.143 2.331 1.00 0.00 N ATOM 0 H LYS A 12 -15.509 -25.984 4.344 1.00 0.00 H new ATOM 0 HA LYS A 12 -17.251 -23.562 4.721 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -17.978 -26.523 4.927 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -19.082 -25.173 5.095 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -18.584 -24.460 2.745 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -17.454 -25.789 2.574 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -19.599 -26.483 1.609 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -19.334 -27.412 3.072 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -21.030 -26.328 4.242 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -20.744 -24.791 3.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -22.836 -25.774 2.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -21.756 -25.680 1.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -22.033 -27.169 2.187 1.00 0.00 H new ATOM 209 N ALA A 13 -17.182 -23.741 7.232 1.00 0.00 N ATOM 210 CA ALA A 13 -16.950 -23.787 8.703 1.00 0.00 C ATOM 211 C ALA A 13 -17.771 -22.689 9.382 1.00 0.00 C ATOM 212 O ALA A 13 -18.068 -21.668 8.794 1.00 0.00 O ATOM 213 CB ALA A 13 -15.464 -23.566 8.991 1.00 0.00 C ATOM 0 H ALA A 13 -17.700 -22.927 6.899 1.00 0.00 H new ATOM 0 HA ALA A 13 -17.254 -24.760 9.090 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -15.293 -23.599 10.067 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -14.879 -24.348 8.506 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -15.159 -22.593 8.605 1.00 0.00 H new ATOM 219 N TYR A 14 -18.137 -22.888 10.618 1.00 0.00 N ATOM 220 CA TYR A 14 -18.937 -21.856 11.335 1.00 0.00 C ATOM 221 C TYR A 14 -18.056 -20.638 11.621 1.00 0.00 C ATOM 222 O TYR A 14 -18.506 -19.510 11.579 1.00 0.00 O ATOM 223 CB TYR A 14 -19.451 -22.433 12.655 1.00 0.00 C ATOM 224 CG TYR A 14 -20.352 -23.612 12.375 1.00 0.00 C ATOM 225 CD1 TYR A 14 -21.684 -23.402 11.996 1.00 0.00 C ATOM 226 CD2 TYR A 14 -19.856 -24.916 12.496 1.00 0.00 C ATOM 227 CE1 TYR A 14 -22.519 -24.496 11.737 1.00 0.00 C ATOM 228 CE2 TYR A 14 -20.692 -26.009 12.237 1.00 0.00 C ATOM 229 CZ TYR A 14 -22.022 -25.799 11.858 1.00 0.00 C ATOM 230 OH TYR A 14 -22.846 -26.877 11.604 1.00 0.00 O ATOM 0 H TYR A 14 -17.916 -23.722 11.163 1.00 0.00 H new ATOM 0 HA TYR A 14 -19.783 -21.558 10.716 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -18.613 -22.743 13.279 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -19.996 -21.669 13.210 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -22.067 -22.396 11.904 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -18.829 -25.079 12.789 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -23.546 -24.334 11.444 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -20.310 -27.015 12.330 1.00 0.00 H new ATOM 0 HH TYR A 14 -22.345 -27.709 11.733 1.00 0.00 H new ATOM 240 N ASP A 15 -16.802 -20.856 11.914 1.00 0.00 N ATOM 241 CA ASP A 15 -15.895 -19.710 12.205 1.00 0.00 C ATOM 242 C ASP A 15 -15.183 -19.282 10.920 1.00 0.00 C ATOM 243 O ASP A 15 -14.390 -20.016 10.364 1.00 0.00 O ATOM 244 CB ASP A 15 -14.858 -20.134 13.246 1.00 0.00 C ATOM 245 CG ASP A 15 -14.109 -18.899 13.752 1.00 0.00 C ATOM 246 OD1 ASP A 15 -14.485 -17.804 13.367 1.00 0.00 O ATOM 247 OD2 ASP A 15 -13.173 -19.069 14.516 1.00 0.00 O ATOM 0 H ASP A 15 -16.367 -21.777 11.964 1.00 0.00 H new ATOM 0 HA ASP A 15 -16.478 -18.874 12.591 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -15.348 -20.641 14.077 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -14.156 -20.844 12.808 1.00 0.00 H new ATOM 252 N HIS A 16 -15.458 -18.098 10.445 1.00 0.00 N ATOM 253 CA HIS A 16 -14.795 -17.624 9.197 1.00 0.00 C ATOM 254 C HIS A 16 -13.301 -17.427 9.457 1.00 0.00 C ATOM 255 O HIS A 16 -12.485 -17.548 8.566 1.00 0.00 O ATOM 256 CB HIS A 16 -15.417 -16.295 8.762 1.00 0.00 C ATOM 257 CG HIS A 16 -15.108 -15.238 9.786 1.00 0.00 C ATOM 258 ND1 HIS A 16 -15.478 -15.097 11.100 1.00 0.00 N flip ATOM 259 CD2 HIS A 16 -14.317 -14.137 9.497 1.00 0.00 C flip ATOM 260 CE1 HIS A 16 -14.927 -13.930 11.621 1.00 0.00 C flip ATOM 261 NE2 HIS A 16 -14.237 -13.391 10.613 1.00 0.00 N flip ATOM 0 H HIS A 16 -16.112 -17.439 10.867 1.00 0.00 H new ATOM 0 HA HIS A 16 -14.932 -18.364 8.409 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -15.025 -15.999 7.789 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -16.496 -16.405 8.651 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -13.850 -13.918 8.548 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -15.034 -13.544 12.624 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -13.713 -12.519 10.681 1.00 0.00 H new ATOM 269 N GLU A 17 -12.936 -17.125 10.674 1.00 0.00 N ATOM 270 CA GLU A 17 -11.495 -16.921 10.989 1.00 0.00 C ATOM 271 C GLU A 17 -10.741 -18.238 10.797 1.00 0.00 C ATOM 272 O GLU A 17 -9.634 -18.265 10.297 1.00 0.00 O ATOM 273 CB GLU A 17 -11.351 -16.459 12.441 1.00 0.00 C ATOM 274 CG GLU A 17 -12.074 -15.123 12.624 1.00 0.00 C ATOM 275 CD GLU A 17 -11.347 -14.036 11.831 1.00 0.00 C ATOM 276 OE1 GLU A 17 -10.295 -14.331 11.287 1.00 0.00 O ATOM 277 OE2 GLU A 17 -11.853 -12.927 11.780 1.00 0.00 O ATOM 0 H GLU A 17 -13.574 -17.011 11.462 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.081 -16.164 10.324 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -11.769 -17.207 13.115 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -10.297 -16.353 12.697 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -13.106 -15.207 12.284 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -12.107 -14.857 13.681 1.00 0.00 H new ATOM 284 N LEU A 18 -11.333 -19.333 11.190 1.00 0.00 N ATOM 285 CA LEU A 18 -10.653 -20.649 11.029 1.00 0.00 C ATOM 286 C LEU A 18 -10.458 -20.944 9.540 1.00 0.00 C ATOM 287 O LEU A 18 -9.448 -21.479 9.130 1.00 0.00 O ATOM 288 CB LEU A 18 -11.509 -21.746 11.659 1.00 0.00 C ATOM 289 CG LEU A 18 -11.732 -21.436 13.140 1.00 0.00 C ATOM 290 CD1 LEU A 18 -12.469 -22.602 13.800 1.00 0.00 C ATOM 291 CD2 LEU A 18 -10.381 -21.232 13.827 1.00 0.00 C ATOM 0 H LEU A 18 -12.259 -19.373 11.616 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.682 -20.619 11.523 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -12.467 -21.815 11.143 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.018 -22.713 11.549 1.00 0.00 H new ATOM 0 HG LEU A 18 -12.329 -20.529 13.235 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -12.628 -22.381 14.856 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -13.432 -22.747 13.311 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -11.873 -23.510 13.705 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.539 -21.011 14.883 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.784 -22.139 13.732 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -9.856 -20.401 13.357 1.00 0.00 H new ATOM 303 N LEU A 19 -11.419 -20.597 8.727 1.00 0.00 N ATOM 304 CA LEU A 19 -11.287 -20.858 7.266 1.00 0.00 C ATOM 305 C LEU A 19 -10.228 -19.926 6.674 1.00 0.00 C ATOM 306 O LEU A 19 -9.504 -20.289 5.768 1.00 0.00 O ATOM 307 CB LEU A 19 -12.630 -20.602 6.579 1.00 0.00 C ATOM 308 CG LEU A 19 -13.696 -21.518 7.184 1.00 0.00 C ATOM 309 CD1 LEU A 19 -15.005 -21.357 6.409 1.00 0.00 C ATOM 310 CD2 LEU A 19 -13.228 -22.972 7.097 1.00 0.00 C ATOM 0 H LEU A 19 -12.288 -20.145 9.011 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.988 -21.894 7.109 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -12.920 -19.558 6.702 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -12.543 -20.785 5.508 1.00 0.00 H new ATOM 0 HG LEU A 19 -13.856 -21.250 8.228 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -15.765 -22.009 6.839 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -15.339 -20.321 6.470 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -14.845 -21.626 5.365 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -13.987 -23.625 7.528 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -13.068 -23.241 6.053 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -12.295 -23.087 7.648 1.00 0.00 H new ATOM 322 N ASP A 20 -10.130 -18.727 7.181 1.00 0.00 N ATOM 323 CA ASP A 20 -9.117 -17.773 6.648 1.00 0.00 C ATOM 324 C ASP A 20 -7.713 -18.321 6.913 1.00 0.00 C ATOM 325 O ASP A 20 -6.845 -18.269 6.065 1.00 0.00 O ATOM 326 CB ASP A 20 -9.276 -16.420 7.341 1.00 0.00 C ATOM 327 CG ASP A 20 -8.413 -15.377 6.628 1.00 0.00 C ATOM 328 OD1 ASP A 20 -7.834 -15.712 5.608 1.00 0.00 O ATOM 329 OD2 ASP A 20 -8.348 -14.260 7.115 1.00 0.00 O ATOM 0 H ASP A 20 -10.708 -18.367 7.941 1.00 0.00 H new ATOM 0 HA ASP A 20 -9.263 -17.650 5.575 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -10.322 -16.113 7.327 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.980 -16.498 8.387 1.00 0.00 H new ATOM 334 N GLU A 21 -7.484 -18.847 8.085 1.00 0.00 N ATOM 335 CA GLU A 21 -6.137 -19.399 8.403 1.00 0.00 C ATOM 336 C GLU A 21 -5.901 -20.670 7.587 1.00 0.00 C ATOM 337 O GLU A 21 -4.833 -20.883 7.047 1.00 0.00 O ATOM 338 CB GLU A 21 -6.063 -19.730 9.896 1.00 0.00 C ATOM 339 CG GLU A 21 -4.641 -20.167 10.252 1.00 0.00 C ATOM 340 CD GLU A 21 -4.592 -20.597 11.719 1.00 0.00 C ATOM 341 OE1 GLU A 21 -5.627 -20.553 12.364 1.00 0.00 O ATOM 342 OE2 GLU A 21 -3.521 -20.962 12.174 1.00 0.00 O ATOM 0 H GLU A 21 -8.171 -18.918 8.836 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.373 -18.662 8.155 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.346 -18.859 10.487 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.770 -20.523 10.139 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.331 -20.991 9.610 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.943 -19.348 10.079 1.00 0.00 H new ATOM 349 N SER A 22 -6.888 -21.518 7.491 1.00 0.00 N ATOM 350 CA SER A 22 -6.719 -22.776 6.709 1.00 0.00 C ATOM 351 C SER A 22 -6.506 -22.433 5.234 1.00 0.00 C ATOM 352 O SER A 22 -5.721 -23.057 4.549 1.00 0.00 O ATOM 353 CB SER A 22 -7.972 -23.640 6.857 1.00 0.00 C ATOM 354 OG SER A 22 -8.243 -23.851 8.235 1.00 0.00 O ATOM 0 H SER A 22 -7.805 -21.394 7.920 1.00 0.00 H new ATOM 0 HA SER A 22 -5.854 -23.324 7.083 1.00 0.00 H new ATOM 0 HB2 SER A 22 -8.821 -23.152 6.379 1.00 0.00 H new ATOM 0 HB3 SER A 22 -7.829 -24.596 6.353 1.00 0.00 H new ATOM 0 HG SER A 22 -8.652 -23.046 8.615 1.00 0.00 H new ATOM 360 N ALA A 23 -7.200 -21.445 4.739 1.00 0.00 N ATOM 361 CA ALA A 23 -7.037 -21.064 3.307 1.00 0.00 C ATOM 362 C ALA A 23 -5.650 -20.455 3.096 1.00 0.00 C ATOM 363 O ALA A 23 -4.985 -20.726 2.116 1.00 0.00 O ATOM 364 CB ALA A 23 -8.107 -20.038 2.928 1.00 0.00 C ATOM 0 H ALA A 23 -7.872 -20.885 5.264 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.144 -21.950 2.681 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.989 -19.759 1.881 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.096 -20.471 3.079 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.000 -19.152 3.554 1.00 0.00 H new ATOM 370 N LYS A 24 -5.207 -19.634 4.009 1.00 0.00 N ATOM 371 CA LYS A 24 -3.863 -19.009 3.860 1.00 0.00 C ATOM 372 C LYS A 24 -2.794 -20.102 3.808 1.00 0.00 C ATOM 373 O LYS A 24 -1.918 -20.088 2.967 1.00 0.00 O ATOM 374 CB LYS A 24 -3.594 -18.088 5.051 1.00 0.00 C ATOM 375 CG LYS A 24 -2.291 -17.320 4.819 1.00 0.00 C ATOM 376 CD LYS A 24 -1.998 -16.435 6.032 1.00 0.00 C ATOM 377 CE LYS A 24 -0.771 -15.566 5.746 1.00 0.00 C ATOM 378 NZ LYS A 24 -0.679 -14.486 6.768 1.00 0.00 N ATOM 0 H LYS A 24 -5.718 -19.369 4.851 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.833 -18.428 2.938 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.422 -17.390 5.179 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.525 -18.673 5.968 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.469 -18.017 4.657 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.372 -16.709 3.920 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.860 -15.805 6.252 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.822 -17.053 6.912 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.132 -16.176 5.764 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.843 -15.132 4.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.155 -13.895 6.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.536 -13.898 6.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.591 -14.910 7.714 1.00 0.00 H new ATOM 392 N LYS A 25 -2.857 -21.051 4.702 1.00 0.00 N ATOM 393 CA LYS A 25 -1.844 -22.144 4.703 1.00 0.00 C ATOM 394 C LYS A 25 -1.912 -22.905 3.378 1.00 0.00 C ATOM 395 O LYS A 25 -0.903 -23.192 2.763 1.00 0.00 O ATOM 396 CB LYS A 25 -2.132 -23.106 5.858 1.00 0.00 C ATOM 397 CG LYS A 25 -1.979 -22.366 7.189 1.00 0.00 C ATOM 398 CD LYS A 25 -2.011 -23.374 8.339 1.00 0.00 C ATOM 399 CE LYS A 25 -3.389 -24.035 8.400 1.00 0.00 C ATOM 400 NZ LYS A 25 -4.213 -23.369 9.450 1.00 0.00 N ATOM 0 H LYS A 25 -3.567 -21.116 5.432 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.849 -21.716 4.825 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.141 -23.508 5.767 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.447 -23.953 5.820 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.041 -21.811 7.203 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.782 -21.638 7.307 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.239 -24.130 8.195 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.794 -22.873 9.282 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.884 -23.959 7.432 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.285 -25.097 8.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -4.695 -24.091 10.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.598 -22.795 10.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.921 -22.756 8.998 1.00 0.00 H new ATOM 414 N ILE A 26 -3.093 -23.233 2.932 1.00 0.00 N ATOM 415 CA ILE A 26 -3.225 -23.975 1.647 1.00 0.00 C ATOM 416 C ILE A 26 -2.735 -23.094 0.495 1.00 0.00 C ATOM 417 O ILE A 26 -2.008 -23.537 -0.371 1.00 0.00 O ATOM 418 CB ILE A 26 -4.693 -24.342 1.420 1.00 0.00 C ATOM 419 CG1 ILE A 26 -5.179 -25.233 2.566 1.00 0.00 C ATOM 420 CG2 ILE A 26 -4.832 -25.093 0.095 1.00 0.00 C ATOM 421 CD1 ILE A 26 -6.683 -25.480 2.415 1.00 0.00 C ATOM 0 H ILE A 26 -3.973 -23.019 3.402 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.625 -24.884 1.689 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.294 -23.433 1.387 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.641 -26.181 2.558 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -4.972 -24.757 3.524 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.878 -25.355 -0.067 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.486 -24.458 -0.721 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.231 -26.002 0.127 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -7.031 -26.114 3.230 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.213 -24.528 2.444 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.877 -25.974 1.463 1.00 0.00 H new ATOM 433 N VAL A 27 -3.128 -21.851 0.478 1.00 0.00 N ATOM 434 CA VAL A 27 -2.685 -20.943 -0.617 1.00 0.00 C ATOM 435 C VAL A 27 -1.157 -20.854 -0.621 1.00 0.00 C ATOM 436 O VAL A 27 -0.520 -20.986 -1.647 1.00 0.00 O ATOM 437 CB VAL A 27 -3.276 -19.550 -0.397 1.00 0.00 C ATOM 438 CG1 VAL A 27 -2.687 -18.578 -1.421 1.00 0.00 C ATOM 439 CG2 VAL A 27 -4.796 -19.608 -0.564 1.00 0.00 C ATOM 0 H VAL A 27 -3.737 -21.424 1.176 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.028 -21.336 -1.574 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.034 -19.208 0.609 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.108 -17.585 -1.264 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.604 -18.536 -1.302 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.928 -18.920 -2.428 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -5.217 -18.615 -0.407 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -5.039 -19.950 -1.570 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -5.216 -20.300 0.166 1.00 0.00 H new ATOM 449 N GLU A 28 -0.564 -20.631 0.520 1.00 0.00 N ATOM 450 CA GLU A 28 0.922 -20.532 0.580 1.00 0.00 C ATOM 451 C GLU A 28 1.541 -21.854 0.119 1.00 0.00 C ATOM 452 O GLU A 28 2.488 -21.874 -0.641 1.00 0.00 O ATOM 453 CB GLU A 28 1.355 -20.241 2.018 1.00 0.00 C ATOM 454 CG GLU A 28 0.870 -18.849 2.425 1.00 0.00 C ATOM 455 CD GLU A 28 1.404 -18.509 3.818 1.00 0.00 C ATOM 456 OE1 GLU A 28 1.970 -19.389 4.445 1.00 0.00 O ATOM 457 OE2 GLU A 28 1.237 -17.374 4.234 1.00 0.00 O ATOM 0 H GLU A 28 -1.044 -20.513 1.412 1.00 0.00 H new ATOM 0 HA GLU A 28 1.259 -19.726 -0.072 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.944 -20.992 2.692 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.440 -20.298 2.101 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.211 -18.108 1.702 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.220 -18.817 2.424 1.00 0.00 H new ATOM 464 N VAL A 29 1.014 -22.958 0.574 1.00 0.00 N ATOM 465 CA VAL A 29 1.574 -24.275 0.162 1.00 0.00 C ATOM 466 C VAL A 29 1.296 -24.507 -1.325 1.00 0.00 C ATOM 467 O VAL A 29 2.132 -25.004 -2.053 1.00 0.00 O ATOM 468 CB VAL A 29 0.918 -25.388 0.982 1.00 0.00 C ATOM 469 CG1 VAL A 29 1.649 -26.707 0.729 1.00 0.00 C ATOM 470 CG2 VAL A 29 0.999 -25.038 2.470 1.00 0.00 C ATOM 0 H VAL A 29 0.220 -23.004 1.213 1.00 0.00 H new ATOM 0 HA VAL A 29 2.650 -24.281 0.336 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.126 -25.490 0.687 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.182 -27.500 1.313 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.594 -26.956 -0.331 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.694 -26.607 1.024 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.532 -25.830 3.056 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.044 -24.937 2.764 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.479 -24.098 2.651 1.00 0.00 H new ATOM 480 N ALA A 30 0.126 -24.151 -1.783 1.00 0.00 N ATOM 481 CA ALA A 30 -0.204 -24.351 -3.222 1.00 0.00 C ATOM 482 C ALA A 30 0.728 -23.496 -4.083 1.00 0.00 C ATOM 483 O ALA A 30 1.294 -23.960 -5.052 1.00 0.00 O ATOM 484 CB ALA A 30 -1.655 -23.938 -3.475 1.00 0.00 C ATOM 0 H ALA A 30 -0.615 -23.730 -1.222 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.075 -25.402 -3.481 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -1.897 -24.084 -4.528 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.319 -24.548 -2.862 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.785 -22.887 -3.216 1.00 0.00 H new ATOM 490 N LYS A 31 0.891 -22.248 -3.737 1.00 0.00 N ATOM 491 CA LYS A 31 1.785 -21.364 -4.537 1.00 0.00 C ATOM 492 C LYS A 31 3.183 -21.981 -4.612 1.00 0.00 C ATOM 493 O LYS A 31 3.846 -21.918 -5.627 1.00 0.00 O ATOM 494 CB LYS A 31 1.870 -19.989 -3.870 1.00 0.00 C ATOM 495 CG LYS A 31 2.550 -19.001 -4.820 1.00 0.00 C ATOM 496 CD LYS A 31 2.560 -17.608 -4.187 1.00 0.00 C ATOM 497 CE LYS A 31 3.446 -17.621 -2.940 1.00 0.00 C ATOM 498 NZ LYS A 31 2.610 -17.896 -1.738 1.00 0.00 N ATOM 0 H LYS A 31 0.444 -21.803 -2.935 1.00 0.00 H new ATOM 0 HA LYS A 31 1.382 -21.257 -5.544 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.871 -19.635 -3.614 1.00 0.00 H new ATOM 0 HB3 LYS A 31 2.432 -20.059 -2.938 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.570 -19.324 -5.029 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.022 -18.975 -5.773 1.00 0.00 H new ATOM 0 HD2 LYS A 31 2.931 -16.874 -4.902 1.00 0.00 H new ATOM 0 HD3 LYS A 31 1.546 -17.310 -3.922 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.220 -18.382 -3.039 1.00 0.00 H new ATOM 0 HE3 LYS A 31 3.953 -16.662 -2.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 2.671 -17.092 -1.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 1.620 -18.032 -2.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 2.954 -18.756 -1.265 1.00 0.00 H new ATOM 512 N SER A 32 3.636 -22.578 -3.542 1.00 0.00 N ATOM 513 CA SER A 32 4.991 -23.198 -3.552 1.00 0.00 C ATOM 514 C SER A 32 5.067 -24.245 -4.666 1.00 0.00 C ATOM 515 O SER A 32 6.106 -24.462 -5.257 1.00 0.00 O ATOM 516 CB SER A 32 5.254 -23.869 -2.203 1.00 0.00 C ATOM 517 OG SER A 32 5.050 -22.928 -1.158 1.00 0.00 O ATOM 0 H SER A 32 3.126 -22.663 -2.663 1.00 0.00 H new ATOM 0 HA SER A 32 5.741 -22.427 -3.728 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.588 -24.722 -2.073 1.00 0.00 H new ATOM 0 HB3 SER A 32 6.274 -24.252 -2.168 1.00 0.00 H new ATOM 0 HG SER A 32 4.089 -22.794 -1.022 1.00 0.00 H new ATOM 523 N THR A 33 3.975 -24.898 -4.956 1.00 0.00 N ATOM 524 CA THR A 33 3.987 -25.931 -6.029 1.00 0.00 C ATOM 525 C THR A 33 4.039 -25.247 -7.397 1.00 0.00 C ATOM 526 O THR A 33 3.581 -24.134 -7.565 1.00 0.00 O ATOM 527 CB THR A 33 2.719 -26.781 -5.933 1.00 0.00 C ATOM 528 OG1 THR A 33 2.560 -27.243 -4.599 1.00 0.00 O ATOM 529 CG2 THR A 33 2.832 -27.976 -6.880 1.00 0.00 C ATOM 0 H THR A 33 3.075 -24.760 -4.496 1.00 0.00 H new ATOM 0 HA THR A 33 4.863 -26.569 -5.908 1.00 0.00 H new ATOM 0 HB THR A 33 1.855 -26.179 -6.214 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.626 -27.501 -4.451 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.928 -28.581 -6.811 1.00 0.00 H new ATOM 0 HG22 THR A 33 2.953 -27.619 -7.903 1.00 0.00 H new ATOM 0 HG23 THR A 33 3.696 -28.580 -6.602 1.00 0.00 H new ATOM 537 N ASN A 34 4.595 -25.905 -8.378 1.00 0.00 N ATOM 538 CA ASN A 34 4.676 -25.293 -9.734 1.00 0.00 C ATOM 539 C ASN A 34 3.295 -24.774 -10.141 1.00 0.00 C ATOM 540 O ASN A 34 3.173 -23.802 -10.860 1.00 0.00 O ATOM 541 CB ASN A 34 5.142 -26.345 -10.743 1.00 0.00 C ATOM 542 CG ASN A 34 6.558 -26.802 -10.386 1.00 0.00 C ATOM 543 OD1 ASN A 34 7.258 -26.132 -9.653 1.00 0.00 O ATOM 544 ND2 ASN A 34 7.013 -27.922 -10.878 1.00 0.00 N ATOM 0 H ASN A 34 4.996 -26.839 -8.299 1.00 0.00 H new ATOM 0 HA ASN A 34 5.386 -24.466 -9.718 1.00 0.00 H new ATOM 0 HB2 ASN A 34 4.461 -27.196 -10.737 1.00 0.00 H new ATOM 0 HB3 ASN A 34 5.125 -25.930 -11.751 1.00 0.00 H new ATOM 0 HD21 ASN A 34 7.956 -28.235 -10.647 1.00 0.00 H new ATOM 0 HD22 ASN A 34 6.426 -28.485 -11.493 1.00 0.00 H new ATOM 551 N SER A 35 2.254 -25.414 -9.684 1.00 0.00 N ATOM 552 CA SER A 35 0.883 -24.959 -10.044 1.00 0.00 C ATOM 553 C SER A 35 0.597 -23.617 -9.367 1.00 0.00 C ATOM 554 O SER A 35 1.195 -23.276 -8.366 1.00 0.00 O ATOM 555 CB SER A 35 -0.138 -25.997 -9.571 1.00 0.00 C ATOM 556 OG SER A 35 -0.296 -25.896 -8.163 1.00 0.00 O ATOM 0 H SER A 35 2.294 -26.233 -9.077 1.00 0.00 H new ATOM 0 HA SER A 35 0.810 -24.843 -11.125 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.095 -25.835 -10.068 1.00 0.00 H new ATOM 0 HB3 SER A 35 0.195 -27.000 -9.840 1.00 0.00 H new ATOM 0 HG SER A 35 -0.303 -26.793 -7.769 1.00 0.00 H new ATOM 562 N LYS A 36 -0.314 -22.854 -9.905 1.00 0.00 N ATOM 563 CA LYS A 36 -0.639 -21.535 -9.292 1.00 0.00 C ATOM 564 C LYS A 36 -2.007 -21.614 -8.611 1.00 0.00 C ATOM 565 O LYS A 36 -2.886 -22.333 -9.042 1.00 0.00 O ATOM 566 CB LYS A 36 -0.670 -20.460 -10.381 1.00 0.00 C ATOM 567 CG LYS A 36 0.720 -20.333 -11.009 1.00 0.00 C ATOM 568 CD LYS A 36 0.714 -19.199 -12.038 1.00 0.00 C ATOM 569 CE LYS A 36 2.060 -19.167 -12.767 1.00 0.00 C ATOM 570 NZ LYS A 36 3.167 -19.181 -11.769 1.00 0.00 N ATOM 0 H LYS A 36 -0.848 -23.087 -10.743 1.00 0.00 H new ATOM 0 HA LYS A 36 0.120 -21.280 -8.553 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.404 -20.721 -11.144 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.978 -19.505 -9.956 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.463 -20.134 -10.237 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.002 -21.271 -11.487 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.096 -19.346 -12.753 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.533 -18.245 -11.543 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.145 -20.026 -13.433 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.128 -18.274 -13.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.994 -18.687 -12.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.857 -18.701 -10.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 3.423 -20.165 -11.549 1.00 0.00 H new ATOM 584 N VAL A 37 -2.194 -20.881 -7.546 1.00 0.00 N ATOM 585 CA VAL A 37 -3.505 -20.918 -6.838 1.00 0.00 C ATOM 586 C VAL A 37 -4.104 -19.512 -6.798 1.00 0.00 C ATOM 587 O VAL A 37 -3.396 -18.526 -6.736 1.00 0.00 O ATOM 588 CB VAL A 37 -3.297 -21.425 -5.409 1.00 0.00 C ATOM 589 CG1 VAL A 37 -2.249 -20.559 -4.707 1.00 0.00 C ATOM 590 CG2 VAL A 37 -4.619 -21.348 -4.643 1.00 0.00 C ATOM 0 H VAL A 37 -1.496 -20.259 -7.137 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.185 -21.586 -7.366 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.953 -22.459 -5.437 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.101 -20.920 -3.689 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.307 -20.614 -5.252 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.592 -19.525 -4.679 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.471 -21.709 -3.625 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.964 -20.314 -4.615 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.365 -21.966 -5.142 1.00 0.00 H new ATOM 600 N SER A 38 -5.405 -19.411 -6.834 1.00 0.00 N ATOM 601 CA SER A 38 -6.049 -18.069 -6.799 1.00 0.00 C ATOM 602 C SER A 38 -7.035 -18.005 -5.631 1.00 0.00 C ATOM 603 O SER A 38 -7.682 -18.978 -5.299 1.00 0.00 O ATOM 604 CB SER A 38 -6.797 -17.827 -8.110 1.00 0.00 C ATOM 605 OG SER A 38 -5.864 -17.716 -9.175 1.00 0.00 O ATOM 0 H SER A 38 -6.049 -20.200 -6.886 1.00 0.00 H new ATOM 0 HA SER A 38 -5.284 -17.304 -6.671 1.00 0.00 H new ATOM 0 HB2 SER A 38 -7.489 -18.647 -8.303 1.00 0.00 H new ATOM 0 HB3 SER A 38 -7.393 -16.917 -8.038 1.00 0.00 H new ATOM 0 HG SER A 38 -6.344 -17.563 -10.016 1.00 0.00 H new ATOM 611 N GLY A 39 -7.154 -16.866 -5.004 1.00 0.00 N ATOM 612 CA GLY A 39 -8.097 -16.742 -3.859 1.00 0.00 C ATOM 613 C GLY A 39 -7.327 -16.320 -2.606 1.00 0.00 C ATOM 614 O GLY A 39 -6.275 -15.718 -2.685 1.00 0.00 O ATOM 0 H GLY A 39 -6.639 -16.017 -5.236 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.869 -16.008 -4.088 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.602 -17.692 -3.686 1.00 0.00 H new ATOM 618 N PRO A 40 -7.871 -16.649 -1.425 1.00 0.00 N ATOM 619 CA PRO A 40 -9.141 -17.375 -1.312 1.00 0.00 C ATOM 620 C PRO A 40 -10.332 -16.505 -1.725 1.00 0.00 C ATOM 621 O PRO A 40 -10.387 -15.329 -1.424 1.00 0.00 O ATOM 622 CB PRO A 40 -9.232 -17.711 0.176 1.00 0.00 C ATOM 623 CG PRO A 40 -8.401 -16.669 0.847 1.00 0.00 C ATOM 624 CD PRO A 40 -7.289 -16.337 -0.107 1.00 0.00 C ATOM 0 HA PRO A 40 -9.170 -18.249 -1.962 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -10.264 -17.682 0.527 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -8.854 -18.713 0.380 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -8.996 -15.784 1.074 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -8.005 -17.038 1.793 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.995 -15.290 -0.034 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -6.398 -16.932 0.091 1.00 0.00 H new ATOM 632 N ILE A 41 -11.286 -17.073 -2.410 1.00 0.00 N ATOM 633 CA ILE A 41 -12.471 -16.278 -2.838 1.00 0.00 C ATOM 634 C ILE A 41 -13.559 -16.375 -1.767 1.00 0.00 C ATOM 635 O ILE A 41 -13.895 -17.447 -1.307 1.00 0.00 O ATOM 636 CB ILE A 41 -13.005 -16.826 -4.161 1.00 0.00 C ATOM 637 CG1 ILE A 41 -11.973 -16.593 -5.267 1.00 0.00 C ATOM 638 CG2 ILE A 41 -14.308 -16.109 -4.522 1.00 0.00 C ATOM 639 CD1 ILE A 41 -11.984 -17.778 -6.234 1.00 0.00 C ATOM 0 H ILE A 41 -11.296 -18.053 -2.692 1.00 0.00 H new ATOM 0 HA ILE A 41 -12.182 -15.236 -2.971 1.00 0.00 H new ATOM 0 HB ILE A 41 -13.193 -17.895 -4.060 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -12.200 -15.671 -5.802 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -10.980 -16.473 -4.833 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -14.689 -16.500 -5.466 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -15.045 -16.276 -3.736 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -14.120 -15.040 -4.622 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -11.249 -17.612 -7.022 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -11.736 -18.691 -5.693 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -12.975 -17.877 -6.677 1.00 0.00 H new ATOM 651 N PRO A 42 -14.115 -15.223 -1.364 1.00 0.00 N ATOM 652 CA PRO A 42 -15.167 -15.166 -0.342 1.00 0.00 C ATOM 653 C PRO A 42 -16.498 -15.723 -0.859 1.00 0.00 C ATOM 654 O PRO A 42 -17.069 -15.215 -1.803 1.00 0.00 O ATOM 655 CB PRO A 42 -15.305 -13.672 -0.054 1.00 0.00 C ATOM 656 CG PRO A 42 -14.826 -13.001 -1.297 1.00 0.00 C ATOM 657 CD PRO A 42 -13.760 -13.889 -1.875 1.00 0.00 C ATOM 0 HA PRO A 42 -14.916 -15.763 0.535 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -16.338 -13.405 0.167 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -14.708 -13.378 0.810 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -15.644 -12.865 -2.005 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -14.428 -12.011 -1.075 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -13.762 -13.862 -2.965 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -12.765 -13.586 -1.550 1.00 0.00 H new ATOM 665 N LEU A 43 -16.993 -16.762 -0.245 1.00 0.00 N ATOM 666 CA LEU A 43 -18.284 -17.351 -0.698 1.00 0.00 C ATOM 667 C LEU A 43 -19.430 -16.764 0.125 1.00 0.00 C ATOM 668 O LEU A 43 -19.219 -16.142 1.147 1.00 0.00 O ATOM 669 CB LEU A 43 -18.246 -18.869 -0.501 1.00 0.00 C ATOM 670 CG LEU A 43 -17.643 -19.530 -1.740 1.00 0.00 C ATOM 671 CD1 LEU A 43 -17.386 -21.011 -1.455 1.00 0.00 C ATOM 672 CD2 LEU A 43 -18.614 -19.397 -2.913 1.00 0.00 C ATOM 0 H LEU A 43 -16.559 -17.229 0.551 1.00 0.00 H new ATOM 0 HA LEU A 43 -18.438 -17.121 -1.752 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -17.655 -19.117 0.380 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -19.253 -19.249 -0.327 1.00 0.00 H new ATOM 0 HG LEU A 43 -16.702 -19.040 -1.991 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -16.956 -21.482 -2.339 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -16.692 -21.106 -0.619 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -18.326 -21.502 -1.203 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -18.184 -19.868 -3.797 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -19.556 -19.886 -2.663 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -18.796 -18.342 -3.117 1.00 0.00 H new ATOM 684 N PRO A 44 -20.673 -16.976 -0.333 1.00 0.00 N ATOM 685 CA PRO A 44 -21.871 -16.478 0.356 1.00 0.00 C ATOM 686 C PRO A 44 -22.084 -17.184 1.698 1.00 0.00 C ATOM 687 O PRO A 44 -21.823 -18.361 1.839 1.00 0.00 O ATOM 688 CB PRO A 44 -23.006 -16.828 -0.607 1.00 0.00 C ATOM 689 CG PRO A 44 -22.478 -17.976 -1.398 1.00 0.00 C ATOM 690 CD PRO A 44 -21.009 -17.717 -1.560 1.00 0.00 C ATOM 0 HA PRO A 44 -21.803 -15.415 0.586 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -23.914 -17.100 -0.069 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -23.257 -15.984 -1.250 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -22.654 -18.920 -0.883 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -22.973 -18.044 -2.367 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -20.441 -18.644 -1.641 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -20.797 -17.134 -2.456 1.00 0.00 H new ATOM 698 N THR A 45 -22.556 -16.473 2.687 1.00 0.00 N ATOM 699 CA THR A 45 -22.784 -17.105 4.017 1.00 0.00 C ATOM 700 C THR A 45 -24.167 -17.758 4.042 1.00 0.00 C ATOM 701 O THR A 45 -25.116 -17.245 3.484 1.00 0.00 O ATOM 702 CB THR A 45 -22.702 -16.036 5.110 1.00 0.00 C ATOM 703 OG1 THR A 45 -21.471 -15.337 4.994 1.00 0.00 O ATOM 704 CG2 THR A 45 -22.786 -16.701 6.483 1.00 0.00 C ATOM 0 H THR A 45 -22.793 -15.483 2.631 1.00 0.00 H new ATOM 0 HA THR A 45 -22.022 -17.864 4.194 1.00 0.00 H new ATOM 0 HB THR A 45 -23.530 -15.336 4.997 1.00 0.00 H new ATOM 0 HG1 THR A 45 -20.879 -15.592 5.732 1.00 0.00 H new ATOM 0 HG21 THR A 45 -22.728 -15.939 7.260 1.00 0.00 H new ATOM 0 HG22 THR A 45 -23.731 -17.237 6.570 1.00 0.00 H new ATOM 0 HG23 THR A 45 -21.959 -17.402 6.599 1.00 0.00 H new ATOM 712 N GLU A 46 -24.288 -18.887 4.686 1.00 0.00 N ATOM 713 CA GLU A 46 -25.610 -19.571 4.748 1.00 0.00 C ATOM 714 C GLU A 46 -25.829 -20.129 6.155 1.00 0.00 C ATOM 715 O GLU A 46 -24.930 -20.679 6.761 1.00 0.00 O ATOM 716 CB GLU A 46 -25.640 -20.717 3.733 1.00 0.00 C ATOM 717 CG GLU A 46 -25.503 -20.150 2.319 1.00 0.00 C ATOM 718 CD GLU A 46 -25.660 -21.279 1.299 1.00 0.00 C ATOM 719 OE1 GLU A 46 -25.724 -22.423 1.716 1.00 0.00 O ATOM 720 OE2 GLU A 46 -25.712 -20.979 0.117 1.00 0.00 O ATOM 0 H GLU A 46 -23.529 -19.365 5.171 1.00 0.00 H new ATOM 0 HA GLU A 46 -26.400 -18.858 4.513 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -24.830 -21.417 3.935 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -26.573 -21.273 3.824 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -26.259 -19.384 2.148 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -24.531 -19.671 2.200 1.00 0.00 H new ATOM 727 N SER A 47 -27.015 -19.992 6.681 1.00 0.00 N ATOM 728 CA SER A 47 -27.288 -20.513 8.049 1.00 0.00 C ATOM 729 C SER A 47 -26.148 -20.105 8.985 1.00 0.00 C ATOM 730 O SER A 47 -25.603 -20.917 9.707 1.00 0.00 O ATOM 731 CB SER A 47 -27.389 -22.040 8.001 1.00 0.00 C ATOM 732 OG SER A 47 -26.285 -22.566 7.279 1.00 0.00 O ATOM 0 H SER A 47 -27.807 -19.542 6.222 1.00 0.00 H new ATOM 0 HA SER A 47 -28.226 -20.099 8.417 1.00 0.00 H new ATOM 0 HB2 SER A 47 -27.402 -22.446 9.012 1.00 0.00 H new ATOM 0 HB3 SER A 47 -28.323 -22.338 7.526 1.00 0.00 H new ATOM 0 HG SER A 47 -25.508 -21.981 7.398 1.00 0.00 H new ATOM 738 N ARG A 48 -25.784 -18.852 8.978 1.00 0.00 N ATOM 739 CA ARG A 48 -24.679 -18.391 9.866 1.00 0.00 C ATOM 740 C ARG A 48 -23.430 -19.235 9.605 1.00 0.00 C ATOM 741 O ARG A 48 -22.684 -19.554 10.509 1.00 0.00 O ATOM 742 CB ARG A 48 -25.101 -18.545 11.328 1.00 0.00 C ATOM 743 CG ARG A 48 -26.343 -17.691 11.594 1.00 0.00 C ATOM 744 CD ARG A 48 -26.688 -17.746 13.084 1.00 0.00 C ATOM 745 NE ARG A 48 -26.899 -19.164 13.492 1.00 0.00 N ATOM 746 CZ ARG A 48 -27.590 -19.439 14.564 1.00 0.00 C ATOM 747 NH1 ARG A 48 -27.304 -18.851 15.694 1.00 0.00 N ATOM 748 NH2 ARG A 48 -28.566 -20.302 14.507 1.00 0.00 N ATOM 0 H ARG A 48 -26.204 -18.127 8.396 1.00 0.00 H new ATOM 0 HA ARG A 48 -24.460 -17.343 9.659 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -25.312 -19.591 11.548 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -24.288 -18.239 11.986 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -26.161 -16.660 11.289 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -27.182 -18.055 11.001 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -25.884 -17.303 13.671 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -27.586 -17.162 13.282 1.00 0.00 H new ATOM 0 HE ARG A 48 -26.503 -19.920 12.933 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -26.540 -18.176 15.739 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -27.844 -19.066 16.532 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -28.789 -20.762 13.624 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -29.106 -20.517 15.345 1.00 0.00 H new ATOM 762 N VAL A 49 -23.196 -19.601 8.374 1.00 0.00 N ATOM 763 CA VAL A 49 -21.997 -20.425 8.059 1.00 0.00 C ATOM 764 C VAL A 49 -21.143 -19.706 7.012 1.00 0.00 C ATOM 765 O VAL A 49 -21.641 -19.235 6.008 1.00 0.00 O ATOM 766 CB VAL A 49 -22.441 -21.782 7.508 1.00 0.00 C ATOM 767 CG1 VAL A 49 -21.210 -22.652 7.241 1.00 0.00 C ATOM 768 CG2 VAL A 49 -23.343 -22.475 8.531 1.00 0.00 C ATOM 0 H VAL A 49 -23.783 -19.365 7.574 1.00 0.00 H new ATOM 0 HA VAL A 49 -21.411 -20.574 8.966 1.00 0.00 H new ATOM 0 HB VAL A 49 -22.990 -21.635 6.578 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -21.526 -23.619 6.849 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -20.566 -22.158 6.514 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -20.660 -22.800 8.171 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -23.660 -23.442 8.140 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -22.793 -22.622 9.460 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -24.219 -21.856 8.722 1.00 0.00 H new ATOM 778 N HIS A 50 -19.861 -19.618 7.238 1.00 0.00 N ATOM 779 CA HIS A 50 -18.976 -18.931 6.255 1.00 0.00 C ATOM 780 C HIS A 50 -18.295 -19.974 5.367 1.00 0.00 C ATOM 781 O HIS A 50 -17.968 -21.059 5.807 1.00 0.00 O ATOM 782 CB HIS A 50 -17.912 -18.127 7.004 1.00 0.00 C ATOM 783 CG HIS A 50 -18.580 -17.109 7.888 1.00 0.00 C ATOM 784 ND1 HIS A 50 -19.240 -16.004 7.375 1.00 0.00 N ATOM 785 CD2 HIS A 50 -18.696 -17.016 9.253 1.00 0.00 C ATOM 786 CE1 HIS A 50 -19.720 -15.300 8.416 1.00 0.00 C ATOM 787 NE2 HIS A 50 -19.417 -15.872 9.583 1.00 0.00 N ATOM 0 H HIS A 50 -19.388 -19.992 8.061 1.00 0.00 H new ATOM 0 HA HIS A 50 -19.571 -18.260 5.636 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -17.293 -18.794 7.604 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -17.251 -17.630 6.294 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -18.290 -17.722 9.962 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -20.282 -14.383 8.319 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -19.661 -15.542 10.517 1.00 0.00 H new ATOM 795 N LYS A 51 -18.079 -19.657 4.120 1.00 0.00 N ATOM 796 CA LYS A 51 -17.418 -20.634 3.208 1.00 0.00 C ATOM 797 C LYS A 51 -16.361 -19.917 2.365 1.00 0.00 C ATOM 798 O LYS A 51 -16.475 -18.742 2.076 1.00 0.00 O ATOM 799 CB LYS A 51 -18.467 -21.258 2.285 1.00 0.00 C ATOM 800 CG LYS A 51 -19.571 -21.899 3.126 1.00 0.00 C ATOM 801 CD LYS A 51 -20.532 -22.662 2.213 1.00 0.00 C ATOM 802 CE LYS A 51 -21.172 -21.689 1.220 1.00 0.00 C ATOM 803 NZ LYS A 51 -22.643 -21.637 1.453 1.00 0.00 N ATOM 0 H LYS A 51 -18.331 -18.765 3.693 1.00 0.00 H new ATOM 0 HA LYS A 51 -16.940 -21.415 3.800 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -18.890 -20.496 1.631 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -18.003 -22.007 1.644 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -19.136 -22.577 3.861 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -20.112 -21.132 3.681 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -19.997 -23.446 1.677 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -21.303 -23.152 2.807 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -20.739 -20.696 1.338 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -20.966 -22.008 0.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -23.034 -20.781 1.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -23.091 -22.478 1.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -22.832 -21.616 2.475 1.00 0.00 H new ATOM 817 N ARG A 52 -15.333 -20.616 1.967 1.00 0.00 N ATOM 818 CA ARG A 52 -14.271 -19.977 1.141 1.00 0.00 C ATOM 819 C ARG A 52 -14.039 -20.808 -0.120 1.00 0.00 C ATOM 820 O ARG A 52 -14.181 -22.015 -0.116 1.00 0.00 O ATOM 821 CB ARG A 52 -12.972 -19.898 1.948 1.00 0.00 C ATOM 822 CG ARG A 52 -13.145 -18.898 3.093 1.00 0.00 C ATOM 823 CD ARG A 52 -11.801 -18.689 3.794 1.00 0.00 C ATOM 824 NE ARG A 52 -11.999 -17.846 5.006 1.00 0.00 N ATOM 825 CZ ARG A 52 -12.331 -16.590 4.882 1.00 0.00 C ATOM 826 NH1 ARG A 52 -11.466 -15.731 4.413 1.00 0.00 N ATOM 827 NH2 ARG A 52 -13.524 -16.192 5.228 1.00 0.00 N ATOM 0 H ARG A 52 -15.183 -21.602 2.179 1.00 0.00 H new ATOM 0 HA ARG A 52 -14.584 -18.971 0.861 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -12.717 -20.881 2.344 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -12.149 -19.591 1.303 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -13.518 -17.949 2.708 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -13.885 -19.267 3.804 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -11.371 -19.651 4.073 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -11.096 -18.209 3.116 1.00 0.00 H new ATOM 0 HE ARG A 52 -11.875 -18.251 5.934 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -10.533 -16.042 4.144 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -11.724 -14.749 4.315 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -14.199 -16.863 5.596 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -13.782 -15.210 5.131 1.00 0.00 H new ATOM 841 N LEU A 53 -13.686 -20.172 -1.202 1.00 0.00 N ATOM 842 CA LEU A 53 -13.448 -20.924 -2.465 1.00 0.00 C ATOM 843 C LEU A 53 -12.021 -20.664 -2.952 1.00 0.00 C ATOM 844 O LEU A 53 -11.578 -19.535 -3.028 1.00 0.00 O ATOM 845 CB LEU A 53 -14.446 -20.455 -3.525 1.00 0.00 C ATOM 846 CG LEU A 53 -14.777 -21.616 -4.465 1.00 0.00 C ATOM 847 CD1 LEU A 53 -15.576 -21.093 -5.661 1.00 0.00 C ATOM 848 CD2 LEU A 53 -13.480 -22.259 -4.960 1.00 0.00 C ATOM 0 H LEU A 53 -13.552 -19.163 -1.266 1.00 0.00 H new ATOM 0 HA LEU A 53 -13.579 -21.991 -2.288 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -15.355 -20.090 -3.047 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -14.027 -19.623 -4.091 1.00 0.00 H new ATOM 0 HG LEU A 53 -15.369 -22.358 -3.929 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -15.812 -21.920 -6.331 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -16.501 -20.636 -5.309 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -14.985 -20.350 -6.196 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -13.716 -23.086 -5.630 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -12.887 -21.517 -5.495 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -12.911 -22.633 -4.109 1.00 0.00 H new ATOM 860 N ILE A 54 -11.299 -21.699 -3.283 1.00 0.00 N ATOM 861 CA ILE A 54 -9.902 -21.509 -3.764 1.00 0.00 C ATOM 862 C ILE A 54 -9.763 -22.083 -5.175 1.00 0.00 C ATOM 863 O ILE A 54 -9.932 -23.267 -5.392 1.00 0.00 O ATOM 864 CB ILE A 54 -8.936 -22.232 -2.824 1.00 0.00 C ATOM 865 CG1 ILE A 54 -9.120 -21.709 -1.398 1.00 0.00 C ATOM 866 CG2 ILE A 54 -7.496 -21.979 -3.276 1.00 0.00 C ATOM 867 CD1 ILE A 54 -8.212 -22.491 -0.446 1.00 0.00 C ATOM 0 H ILE A 54 -11.616 -22.668 -3.241 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.667 -20.445 -3.780 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.143 -23.302 -2.848 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -8.880 -20.647 -1.355 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -10.161 -21.814 -1.092 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.808 -22.495 -2.606 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.362 -22.353 -4.291 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.290 -20.909 -3.254 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -8.343 -22.118 0.570 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -8.473 -23.549 -0.481 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.172 -22.364 -0.748 1.00 0.00 H new ATOM 879 N ASP A 55 -9.456 -21.256 -6.136 1.00 0.00 N ATOM 880 CA ASP A 55 -9.306 -21.759 -7.531 1.00 0.00 C ATOM 881 C ASP A 55 -7.858 -22.196 -7.761 1.00 0.00 C ATOM 882 O ASP A 55 -6.932 -21.610 -7.235 1.00 0.00 O ATOM 883 CB ASP A 55 -9.665 -20.645 -8.518 1.00 0.00 C ATOM 884 CG ASP A 55 -11.146 -20.292 -8.371 1.00 0.00 C ATOM 885 OD1 ASP A 55 -11.853 -21.046 -7.722 1.00 0.00 O ATOM 886 OD2 ASP A 55 -11.549 -19.274 -8.909 1.00 0.00 O ATOM 0 H ASP A 55 -9.303 -20.255 -6.016 1.00 0.00 H new ATOM 0 HA ASP A 55 -9.972 -22.608 -7.685 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -9.050 -19.765 -8.329 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -9.456 -20.967 -9.538 1.00 0.00 H new ATOM 891 N ILE A 56 -7.654 -23.220 -8.543 1.00 0.00 N ATOM 892 CA ILE A 56 -6.266 -23.692 -8.805 1.00 0.00 C ATOM 893 C ILE A 56 -6.009 -23.709 -10.313 1.00 0.00 C ATOM 894 O ILE A 56 -6.713 -24.353 -11.064 1.00 0.00 O ATOM 895 CB ILE A 56 -6.092 -25.104 -8.243 1.00 0.00 C ATOM 896 CG1 ILE A 56 -6.347 -25.089 -6.735 1.00 0.00 C ATOM 897 CG2 ILE A 56 -4.667 -25.589 -8.514 1.00 0.00 C ATOM 898 CD1 ILE A 56 -6.212 -26.509 -6.180 1.00 0.00 C ATOM 0 H ILE A 56 -8.389 -23.750 -9.012 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.557 -23.019 -8.323 1.00 0.00 H new ATOM 0 HB ILE A 56 -6.803 -25.776 -8.725 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -5.637 -24.425 -6.242 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -7.344 -24.699 -6.528 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.543 -26.595 -8.114 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.485 -25.601 -9.589 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.956 -24.917 -8.033 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -6.394 -26.498 -5.105 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -6.940 -27.160 -6.665 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -5.206 -26.881 -6.374 1.00 0.00 H new ATOM 910 N ILE A 57 -5.005 -23.006 -10.762 1.00 0.00 N ATOM 911 CA ILE A 57 -4.706 -22.983 -12.221 1.00 0.00 C ATOM 912 C ILE A 57 -3.485 -23.861 -12.502 1.00 0.00 C ATOM 913 O ILE A 57 -2.560 -23.926 -11.717 1.00 0.00 O ATOM 914 CB ILE A 57 -4.412 -21.547 -12.660 1.00 0.00 C ATOM 915 CG1 ILE A 57 -5.587 -20.645 -12.272 1.00 0.00 C ATOM 916 CG2 ILE A 57 -4.219 -21.508 -14.177 1.00 0.00 C ATOM 917 CD1 ILE A 57 -5.225 -19.187 -12.561 1.00 0.00 C ATOM 0 H ILE A 57 -4.380 -22.447 -10.182 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.565 -23.363 -12.775 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.505 -21.194 -12.169 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -6.478 -20.928 -12.833 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -5.822 -20.770 -11.215 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -4.010 -20.485 -14.491 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.384 -22.151 -14.454 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -5.126 -21.860 -14.668 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -6.060 -18.543 -12.285 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -4.345 -18.909 -11.981 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -5.011 -19.069 -13.623 1.00 0.00 H new ATOM 929 N ASP A 58 -3.474 -24.537 -13.618 1.00 0.00 N ATOM 930 CA ASP A 58 -2.313 -25.410 -13.949 1.00 0.00 C ATOM 931 C ASP A 58 -1.962 -26.276 -12.738 1.00 0.00 C ATOM 932 O ASP A 58 -0.883 -26.179 -12.186 1.00 0.00 O ATOM 933 CB ASP A 58 -1.111 -24.538 -14.318 1.00 0.00 C ATOM 934 CG ASP A 58 0.133 -25.417 -14.466 1.00 0.00 C ATOM 935 OD1 ASP A 58 0.000 -26.514 -14.985 1.00 0.00 O ATOM 936 OD2 ASP A 58 1.196 -24.980 -14.058 1.00 0.00 O ATOM 0 H ASP A 58 -4.219 -24.522 -14.315 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.570 -26.053 -14.791 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.306 -24.007 -15.249 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.946 -23.783 -13.549 1.00 0.00 H new ATOM 941 N PRO A 59 -2.897 -27.141 -12.320 1.00 0.00 N ATOM 942 CA PRO A 59 -2.696 -28.034 -11.171 1.00 0.00 C ATOM 943 C PRO A 59 -1.679 -29.136 -11.481 1.00 0.00 C ATOM 944 O PRO A 59 -1.553 -29.579 -12.606 1.00 0.00 O ATOM 945 CB PRO A 59 -4.078 -28.648 -10.949 1.00 0.00 C ATOM 946 CG PRO A 59 -4.746 -28.564 -12.280 1.00 0.00 C ATOM 947 CD PRO A 59 -4.225 -27.315 -12.934 1.00 0.00 C ATOM 0 HA PRO A 59 -2.306 -27.503 -10.303 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -4.003 -29.680 -10.608 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -4.637 -28.101 -10.190 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -4.521 -29.443 -12.884 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -5.830 -28.522 -12.170 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -4.157 -27.426 -14.016 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -4.873 -26.460 -12.741 1.00 0.00 H new ATOM 955 N SER A 60 -0.952 -29.583 -10.493 1.00 0.00 N ATOM 956 CA SER A 60 0.054 -30.655 -10.734 1.00 0.00 C ATOM 957 C SER A 60 -0.012 -31.682 -9.602 1.00 0.00 C ATOM 958 O SER A 60 -0.634 -31.457 -8.583 1.00 0.00 O ATOM 959 CB SER A 60 1.454 -30.040 -10.784 1.00 0.00 C ATOM 960 OG SER A 60 1.809 -29.781 -12.134 1.00 0.00 O ATOM 0 H SER A 60 -1.012 -29.252 -9.530 1.00 0.00 H new ATOM 0 HA SER A 60 -0.161 -31.147 -11.683 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.478 -29.116 -10.207 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.177 -30.718 -10.330 1.00 0.00 H new ATOM 0 HG SER A 60 2.705 -29.385 -12.167 1.00 0.00 H new ATOM 966 N PRO A 61 0.647 -32.835 -9.791 1.00 0.00 N ATOM 967 CA PRO A 61 0.669 -33.909 -8.790 1.00 0.00 C ATOM 968 C PRO A 61 1.438 -33.495 -7.534 1.00 0.00 C ATOM 969 O PRO A 61 1.196 -33.995 -6.452 1.00 0.00 O ATOM 970 CB PRO A 61 1.396 -35.049 -9.505 1.00 0.00 C ATOM 971 CG PRO A 61 2.228 -34.368 -10.538 1.00 0.00 C ATOM 972 CD PRO A 61 1.428 -33.181 -10.991 1.00 0.00 C ATOM 0 HA PRO A 61 -0.331 -34.176 -8.449 1.00 0.00 H new ATOM 0 HB2 PRO A 61 2.013 -35.623 -8.813 1.00 0.00 H new ATOM 0 HB3 PRO A 61 0.692 -35.747 -9.958 1.00 0.00 H new ATOM 0 HG2 PRO A 61 3.188 -34.058 -10.125 1.00 0.00 H new ATOM 0 HG3 PRO A 61 2.441 -35.037 -11.372 1.00 0.00 H new ATOM 0 HD2 PRO A 61 2.069 -32.358 -11.307 1.00 0.00 H new ATOM 0 HD3 PRO A 61 0.784 -33.426 -11.836 1.00 0.00 H new ATOM 980 N LYS A 62 2.358 -32.580 -7.666 1.00 0.00 N ATOM 981 CA LYS A 62 3.134 -32.131 -6.477 1.00 0.00 C ATOM 982 C LYS A 62 2.186 -31.455 -5.486 1.00 0.00 C ATOM 983 O LYS A 62 2.432 -31.427 -4.296 1.00 0.00 O ATOM 984 CB LYS A 62 4.211 -31.136 -6.917 1.00 0.00 C ATOM 985 CG LYS A 62 5.183 -31.827 -7.875 1.00 0.00 C ATOM 986 CD LYS A 62 6.314 -30.864 -8.240 1.00 0.00 C ATOM 987 CE LYS A 62 7.225 -31.517 -9.280 1.00 0.00 C ATOM 988 NZ LYS A 62 7.984 -32.631 -8.645 1.00 0.00 N ATOM 0 H LYS A 62 2.606 -32.125 -8.544 1.00 0.00 H new ATOM 0 HA LYS A 62 3.609 -32.989 -6.002 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.750 -30.278 -7.406 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.748 -30.757 -6.048 1.00 0.00 H new ATOM 0 HG2 LYS A 62 5.591 -32.724 -7.410 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.658 -32.145 -8.775 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.902 -29.935 -8.634 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.887 -30.606 -7.350 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.632 -31.895 -10.113 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.915 -30.779 -9.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.754 -32.931 -9.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.384 -32.308 -7.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.345 -33.433 -8.474 1.00 0.00 H new ATOM 1002 N THR A 63 1.100 -30.912 -5.968 1.00 0.00 N ATOM 1003 CA THR A 63 0.135 -30.242 -5.053 1.00 0.00 C ATOM 1004 C THR A 63 -0.541 -31.295 -4.174 1.00 0.00 C ATOM 1005 O THR A 63 -0.720 -31.106 -2.988 1.00 0.00 O ATOM 1006 CB THR A 63 -0.925 -29.507 -5.878 1.00 0.00 C ATOM 1007 OG1 THR A 63 -0.286 -28.596 -6.761 1.00 0.00 O ATOM 1008 CG2 THR A 63 -1.862 -28.742 -4.942 1.00 0.00 C ATOM 0 H THR A 63 0.841 -30.904 -6.955 1.00 0.00 H new ATOM 0 HA THR A 63 0.664 -29.526 -4.424 1.00 0.00 H new ATOM 0 HB THR A 63 -1.503 -30.229 -6.455 1.00 0.00 H new ATOM 0 HG1 THR A 63 0.051 -29.081 -7.543 1.00 0.00 H new ATOM 0 HG21 THR A 63 -2.616 -28.219 -5.530 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.351 -29.442 -4.265 1.00 0.00 H new ATOM 0 HG23 THR A 63 -1.287 -28.019 -4.363 1.00 0.00 H new ATOM 1016 N ILE A 64 -0.916 -32.406 -4.748 1.00 0.00 N ATOM 1017 CA ILE A 64 -1.577 -33.472 -3.944 1.00 0.00 C ATOM 1018 C ILE A 64 -0.607 -33.972 -2.873 1.00 0.00 C ATOM 1019 O ILE A 64 -0.970 -34.151 -1.727 1.00 0.00 O ATOM 1020 CB ILE A 64 -1.968 -34.633 -4.860 1.00 0.00 C ATOM 1021 CG1 ILE A 64 -2.920 -34.129 -5.948 1.00 0.00 C ATOM 1022 CG2 ILE A 64 -2.666 -35.719 -4.037 1.00 0.00 C ATOM 1023 CD1 ILE A 64 -3.148 -35.236 -6.979 1.00 0.00 C ATOM 0 H ILE A 64 -0.793 -32.621 -5.738 1.00 0.00 H new ATOM 0 HA ILE A 64 -2.471 -33.069 -3.468 1.00 0.00 H new ATOM 0 HB ILE A 64 -1.072 -35.046 -5.324 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.870 -33.829 -5.505 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.501 -33.247 -6.432 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.945 -36.547 -4.689 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.989 -36.080 -3.262 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.561 -35.305 -3.573 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -3.826 -34.878 -7.754 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.196 -35.515 -7.430 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.585 -36.106 -6.488 1.00 0.00 H new ATOM 1035 N ASP A 65 0.627 -34.197 -3.236 1.00 0.00 N ATOM 1036 CA ASP A 65 1.619 -34.683 -2.237 1.00 0.00 C ATOM 1037 C ASP A 65 1.670 -33.710 -1.057 1.00 0.00 C ATOM 1038 O ASP A 65 1.730 -34.112 0.088 1.00 0.00 O ATOM 1039 CB ASP A 65 3.000 -34.767 -2.890 1.00 0.00 C ATOM 1040 CG ASP A 65 3.983 -35.432 -1.924 1.00 0.00 C ATOM 1041 OD1 ASP A 65 3.540 -35.892 -0.884 1.00 0.00 O ATOM 1042 OD2 ASP A 65 5.160 -35.470 -2.241 1.00 0.00 O ATOM 0 H ASP A 65 0.990 -34.065 -4.180 1.00 0.00 H new ATOM 0 HA ASP A 65 1.325 -35.671 -1.882 1.00 0.00 H new ATOM 0 HB2 ASP A 65 2.942 -35.338 -3.816 1.00 0.00 H new ATOM 0 HB3 ASP A 65 3.351 -33.769 -3.153 1.00 0.00 H new ATOM 1047 N ALA A 66 1.646 -32.433 -1.327 1.00 0.00 N ATOM 1048 CA ALA A 66 1.691 -31.438 -0.219 1.00 0.00 C ATOM 1049 C ALA A 66 0.400 -31.527 0.597 1.00 0.00 C ATOM 1050 O ALA A 66 0.407 -31.397 1.805 1.00 0.00 O ATOM 1051 CB ALA A 66 1.830 -30.030 -0.803 1.00 0.00 C ATOM 0 H ALA A 66 1.597 -32.037 -2.266 1.00 0.00 H new ATOM 0 HA ALA A 66 2.544 -31.649 0.426 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.863 -29.302 0.007 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.749 -29.967 -1.385 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.977 -29.818 -1.447 1.00 0.00 H new ATOM 1057 N LEU A 67 -0.709 -31.748 -0.054 1.00 0.00 N ATOM 1058 CA LEU A 67 -1.999 -31.847 0.684 1.00 0.00 C ATOM 1059 C LEU A 67 -1.938 -33.020 1.665 1.00 0.00 C ATOM 1060 O LEU A 67 -2.412 -32.935 2.781 1.00 0.00 O ATOM 1061 CB LEU A 67 -3.140 -32.072 -0.311 1.00 0.00 C ATOM 1062 CG LEU A 67 -4.472 -32.125 0.441 1.00 0.00 C ATOM 1063 CD1 LEU A 67 -4.884 -30.708 0.847 1.00 0.00 C ATOM 1064 CD2 LEU A 67 -5.546 -32.727 -0.468 1.00 0.00 C ATOM 0 H LEU A 67 -0.777 -31.864 -1.065 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.174 -30.923 1.235 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.158 -31.269 -1.047 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.982 -33.002 -0.857 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.362 -32.742 1.333 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.833 -30.744 1.383 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.119 -30.278 1.493 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.995 -30.092 -0.045 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.495 -32.765 0.066 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -5.656 -32.109 -1.359 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.253 -33.736 -0.759 1.00 0.00 H new ATOM 1076 N MET A 68 -1.356 -34.115 1.257 1.00 0.00 N ATOM 1077 CA MET A 68 -1.262 -35.292 2.166 1.00 0.00 C ATOM 1078 C MET A 68 -0.323 -34.966 3.329 1.00 0.00 C ATOM 1079 O MET A 68 -0.521 -35.411 4.442 1.00 0.00 O ATOM 1080 CB MET A 68 -0.714 -36.491 1.390 1.00 0.00 C ATOM 1081 CG MET A 68 -1.769 -36.982 0.396 1.00 0.00 C ATOM 1082 SD MET A 68 -1.176 -38.483 -0.423 1.00 0.00 S ATOM 1083 CE MET A 68 0.286 -37.754 -1.200 1.00 0.00 C ATOM 0 H MET A 68 -0.942 -34.245 0.334 1.00 0.00 H new ATOM 0 HA MET A 68 -2.252 -35.531 2.555 1.00 0.00 H new ATOM 0 HB2 MET A 68 0.196 -36.210 0.861 1.00 0.00 H new ATOM 0 HB3 MET A 68 -0.447 -37.292 2.079 1.00 0.00 H new ATOM 0 HG2 MET A 68 -2.706 -37.184 0.915 1.00 0.00 H new ATOM 0 HG3 MET A 68 -1.975 -36.208 -0.344 1.00 0.00 H new ATOM 0 HE1 MET A 68 0.683 -38.443 -1.946 1.00 0.00 H new ATOM 0 HE2 MET A 68 0.012 -36.816 -1.682 1.00 0.00 H new ATOM 0 HE3 MET A 68 1.045 -37.564 -0.441 1.00 0.00 H new ATOM 1093 N ARG A 69 0.698 -34.193 3.080 1.00 0.00 N ATOM 1094 CA ARG A 69 1.649 -33.839 4.171 1.00 0.00 C ATOM 1095 C ARG A 69 0.970 -32.875 5.147 1.00 0.00 C ATOM 1096 O ARG A 69 1.277 -32.849 6.322 1.00 0.00 O ATOM 1097 CB ARG A 69 2.887 -33.170 3.571 1.00 0.00 C ATOM 1098 CG ARG A 69 3.616 -34.167 2.665 1.00 0.00 C ATOM 1099 CD ARG A 69 4.907 -33.532 2.144 1.00 0.00 C ATOM 1100 NE ARG A 69 5.874 -33.381 3.268 1.00 0.00 N ATOM 1101 CZ ARG A 69 6.338 -32.201 3.576 1.00 0.00 C ATOM 1102 NH1 ARG A 69 6.705 -31.377 2.632 1.00 0.00 N ATOM 1103 NH2 ARG A 69 6.435 -31.844 4.827 1.00 0.00 N ATOM 0 H ARG A 69 0.915 -33.791 2.168 1.00 0.00 H new ATOM 0 HA ARG A 69 1.946 -34.743 4.702 1.00 0.00 H new ATOM 0 HB2 ARG A 69 2.597 -32.288 3.000 1.00 0.00 H new ATOM 0 HB3 ARG A 69 3.552 -32.831 4.366 1.00 0.00 H new ATOM 0 HG2 ARG A 69 3.844 -35.078 3.218 1.00 0.00 H new ATOM 0 HG3 ARG A 69 2.976 -34.452 1.830 1.00 0.00 H new ATOM 0 HD2 ARG A 69 5.339 -34.152 1.359 1.00 0.00 H new ATOM 0 HD3 ARG A 69 4.694 -32.559 1.700 1.00 0.00 H new ATOM 0 HE ARG A 69 6.173 -34.200 3.797 1.00 0.00 H new ATOM 0 HH11 ARG A 69 6.629 -31.656 1.654 1.00 0.00 H new ATOM 0 HH12 ARG A 69 7.068 -30.455 2.873 1.00 0.00 H new ATOM 0 HH21 ARG A 69 6.148 -32.487 5.565 1.00 0.00 H new ATOM 0 HH22 ARG A 69 6.798 -30.922 5.067 1.00 0.00 H new ATOM 1117 N ILE A 70 0.050 -32.083 4.669 1.00 0.00 N ATOM 1118 CA ILE A 70 -0.645 -31.121 5.571 1.00 0.00 C ATOM 1119 C ILE A 70 -2.088 -31.579 5.789 1.00 0.00 C ATOM 1120 O ILE A 70 -2.785 -31.935 4.859 1.00 0.00 O ATOM 1121 CB ILE A 70 -0.642 -29.731 4.933 1.00 0.00 C ATOM 1122 CG1 ILE A 70 0.797 -29.312 4.629 1.00 0.00 C ATOM 1123 CG2 ILE A 70 -1.272 -28.726 5.899 1.00 0.00 C ATOM 1124 CD1 ILE A 70 0.793 -27.994 3.854 1.00 0.00 C ATOM 0 H ILE A 70 -0.250 -32.060 3.694 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.127 -31.082 6.529 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.216 -29.755 4.007 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.357 -29.198 5.557 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.297 -30.086 4.047 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.270 -27.735 5.445 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.298 -29.024 6.116 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.697 -28.702 6.825 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.819 -27.696 3.638 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.248 -28.123 2.919 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.309 -27.222 4.452 1.00 0.00 H new ATOM 1136 N ASN A 71 -2.545 -31.571 7.012 1.00 0.00 N ATOM 1137 CA ASN A 71 -3.943 -32.006 7.289 1.00 0.00 C ATOM 1138 C ASN A 71 -4.741 -30.828 7.851 1.00 0.00 C ATOM 1139 O ASN A 71 -4.375 -30.237 8.848 1.00 0.00 O ATOM 1140 CB ASN A 71 -3.930 -33.147 8.307 1.00 0.00 C ATOM 1141 CG ASN A 71 -5.327 -33.765 8.399 1.00 0.00 C ATOM 1142 OD1 ASN A 71 -6.130 -33.615 7.500 1.00 0.00 O ATOM 1143 ND2 ASN A 71 -5.653 -34.459 9.455 1.00 0.00 N ATOM 0 H ASN A 71 -2.010 -31.282 7.831 1.00 0.00 H new ATOM 0 HA ASN A 71 -4.407 -32.351 6.365 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -3.204 -33.905 8.011 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -3.621 -32.774 9.283 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -6.582 -34.875 9.525 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -4.979 -34.585 10.210 1.00 0.00 H new ATOM 1150 N LEU A 72 -5.829 -30.481 7.220 1.00 0.00 N ATOM 1151 CA LEU A 72 -6.649 -29.342 7.720 1.00 0.00 C ATOM 1152 C LEU A 72 -7.040 -29.595 9.178 1.00 0.00 C ATOM 1153 O LEU A 72 -7.178 -30.724 9.605 1.00 0.00 O ATOM 1154 CB LEU A 72 -7.915 -29.211 6.868 1.00 0.00 C ATOM 1155 CG LEU A 72 -8.746 -30.490 6.989 1.00 0.00 C ATOM 1156 CD1 LEU A 72 -10.117 -30.152 7.580 1.00 0.00 C ATOM 1157 CD2 LEU A 72 -8.928 -31.114 5.604 1.00 0.00 C ATOM 0 H LEU A 72 -6.185 -30.937 6.380 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.069 -28.421 7.654 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.500 -28.352 7.197 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.648 -29.035 5.826 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.232 -31.197 7.641 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -10.710 -31.062 7.667 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.988 -29.707 8.567 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -10.630 -29.445 6.928 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -9.520 -32.025 5.690 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -9.442 -30.408 4.951 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.952 -31.354 5.182 1.00 0.00 H new ATOM 1169 N PRO A 73 -7.221 -28.515 9.952 1.00 0.00 N ATOM 1170 CA PRO A 73 -7.597 -28.610 11.369 1.00 0.00 C ATOM 1171 C PRO A 73 -9.036 -29.102 11.542 1.00 0.00 C ATOM 1172 O PRO A 73 -9.894 -28.846 10.721 1.00 0.00 O ATOM 1173 CB PRO A 73 -7.473 -27.171 11.868 1.00 0.00 C ATOM 1174 CG PRO A 73 -7.657 -26.333 10.648 1.00 0.00 C ATOM 1175 CD PRO A 73 -7.073 -27.119 9.507 1.00 0.00 C ATOM 0 HA PRO A 73 -6.973 -29.319 11.913 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -8.228 -26.946 12.621 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -6.501 -26.993 12.328 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -8.713 -26.123 10.476 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -7.154 -25.372 10.756 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.607 -26.934 8.575 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -6.029 -26.860 9.332 1.00 0.00 H new ATOM 1183 N ALA A 74 -9.308 -29.807 12.606 1.00 0.00 N ATOM 1184 CA ALA A 74 -10.690 -30.314 12.832 1.00 0.00 C ATOM 1185 C ALA A 74 -11.651 -29.131 12.972 1.00 0.00 C ATOM 1186 O ALA A 74 -11.265 -28.051 13.375 1.00 0.00 O ATOM 1187 CB ALA A 74 -10.724 -31.153 14.111 1.00 0.00 C ATOM 0 H ALA A 74 -8.632 -30.054 13.329 1.00 0.00 H new ATOM 0 HA ALA A 74 -10.993 -30.930 11.986 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -11.736 -31.524 14.276 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.040 -31.996 14.011 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -10.420 -30.538 14.958 1.00 0.00 H new ATOM 1193 N GLY A 75 -12.898 -29.325 12.643 1.00 0.00 N ATOM 1194 CA GLY A 75 -13.881 -28.211 12.758 1.00 0.00 C ATOM 1195 C GLY A 75 -14.074 -27.555 11.389 1.00 0.00 C ATOM 1196 O GLY A 75 -14.712 -26.528 11.267 1.00 0.00 O ATOM 0 H GLY A 75 -13.279 -30.207 12.299 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -14.833 -28.590 13.129 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -13.528 -27.474 13.479 1.00 0.00 H new ATOM 1200 N VAL A 76 -13.529 -28.139 10.356 1.00 0.00 N ATOM 1201 CA VAL A 76 -13.683 -27.547 8.998 1.00 0.00 C ATOM 1202 C VAL A 76 -14.188 -28.618 8.029 1.00 0.00 C ATOM 1203 O VAL A 76 -13.880 -29.786 8.164 1.00 0.00 O ATOM 1204 CB VAL A 76 -12.331 -27.018 8.515 1.00 0.00 C ATOM 1205 CG1 VAL A 76 -12.504 -26.347 7.150 1.00 0.00 C ATOM 1206 CG2 VAL A 76 -11.794 -25.998 9.520 1.00 0.00 C ATOM 0 H VAL A 76 -12.984 -29.000 10.395 1.00 0.00 H new ATOM 0 HA VAL A 76 -14.400 -26.727 9.039 1.00 0.00 H new ATOM 0 HB VAL A 76 -11.627 -27.846 8.427 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -11.541 -25.970 6.805 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -12.887 -27.074 6.433 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -13.207 -25.519 7.238 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -10.831 -25.621 9.176 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -12.497 -25.170 9.609 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -11.671 -26.475 10.492 1.00 0.00 H new ATOM 1216 N ASP A 77 -14.962 -28.231 7.051 1.00 0.00 N ATOM 1217 CA ASP A 77 -15.485 -29.229 6.076 1.00 0.00 C ATOM 1218 C ASP A 77 -14.865 -28.970 4.701 1.00 0.00 C ATOM 1219 O ASP A 77 -14.531 -27.853 4.361 1.00 0.00 O ATOM 1220 CB ASP A 77 -17.007 -29.101 5.982 1.00 0.00 C ATOM 1221 CG ASP A 77 -17.638 -29.534 7.307 1.00 0.00 C ATOM 1222 OD1 ASP A 77 -16.927 -30.093 8.125 1.00 0.00 O ATOM 1223 OD2 ASP A 77 -18.822 -29.298 7.481 1.00 0.00 O ATOM 0 H ASP A 77 -15.254 -27.268 6.886 1.00 0.00 H new ATOM 0 HA ASP A 77 -15.225 -30.234 6.409 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -17.283 -28.071 5.755 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -17.385 -29.719 5.168 1.00 0.00 H new ATOM 1228 N VAL A 78 -14.711 -29.994 3.908 1.00 0.00 N ATOM 1229 CA VAL A 78 -14.114 -29.804 2.556 1.00 0.00 C ATOM 1230 C VAL A 78 -14.965 -30.536 1.516 1.00 0.00 C ATOM 1231 O VAL A 78 -15.489 -31.603 1.768 1.00 0.00 O ATOM 1232 CB VAL A 78 -12.693 -30.371 2.542 1.00 0.00 C ATOM 1233 CG1 VAL A 78 -11.879 -29.732 3.668 1.00 0.00 C ATOM 1234 CG2 VAL A 78 -12.746 -31.886 2.748 1.00 0.00 C ATOM 0 H VAL A 78 -14.972 -30.953 4.137 1.00 0.00 H new ATOM 0 HA VAL A 78 -14.083 -28.741 2.318 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.223 -30.151 1.583 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -10.866 -30.135 3.659 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.841 -28.652 3.522 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -12.349 -29.952 4.627 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -11.734 -32.290 2.738 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -13.215 -32.107 3.707 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -13.327 -32.342 1.946 1.00 0.00 H new ATOM 1244 N GLU A 79 -15.105 -29.972 0.348 1.00 0.00 N ATOM 1245 CA GLU A 79 -15.921 -30.635 -0.707 1.00 0.00 C ATOM 1246 C GLU A 79 -14.997 -31.372 -1.679 1.00 0.00 C ATOM 1247 O GLU A 79 -13.970 -30.864 -2.081 1.00 0.00 O ATOM 1248 CB GLU A 79 -16.726 -29.580 -1.469 1.00 0.00 C ATOM 1249 CG GLU A 79 -17.674 -30.271 -2.451 1.00 0.00 C ATOM 1250 CD GLU A 79 -18.402 -29.216 -3.286 1.00 0.00 C ATOM 1251 OE1 GLU A 79 -18.131 -28.043 -3.089 1.00 0.00 O ATOM 1252 OE2 GLU A 79 -19.218 -29.598 -4.109 1.00 0.00 O ATOM 0 H GLU A 79 -14.689 -29.080 0.079 1.00 0.00 H new ATOM 0 HA GLU A 79 -16.604 -31.347 -0.244 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -17.294 -28.966 -0.770 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -16.053 -28.912 -2.006 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -17.114 -30.942 -3.102 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -18.395 -30.882 -1.908 1.00 0.00 H new ATOM 1259 N ILE A 80 -15.355 -32.569 -2.061 1.00 0.00 N ATOM 1260 CA ILE A 80 -14.497 -33.337 -3.006 1.00 0.00 C ATOM 1261 C ILE A 80 -15.268 -33.595 -4.301 1.00 0.00 C ATOM 1262 O ILE A 80 -16.377 -34.094 -4.287 1.00 0.00 O ATOM 1263 CB ILE A 80 -14.107 -34.673 -2.370 1.00 0.00 C ATOM 1264 CG1 ILE A 80 -13.503 -34.424 -0.986 1.00 0.00 C ATOM 1265 CG2 ILE A 80 -13.080 -35.379 -3.257 1.00 0.00 C ATOM 1266 CD1 ILE A 80 -12.430 -33.338 -1.086 1.00 0.00 C ATOM 0 H ILE A 80 -16.204 -33.047 -1.759 1.00 0.00 H new ATOM 0 HA ILE A 80 -13.597 -32.763 -3.227 1.00 0.00 H new ATOM 0 HB ILE A 80 -14.993 -35.300 -2.270 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -14.282 -34.118 -0.287 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -13.069 -35.345 -0.596 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -12.802 -36.331 -2.805 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -13.512 -35.558 -4.242 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -12.194 -34.752 -3.357 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -11.999 -33.160 -0.101 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -11.647 -33.662 -1.771 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -12.878 -32.417 -1.458 1.00 0.00 H new ATOM 1278 N LYS A 81 -14.692 -33.259 -5.423 1.00 0.00 N ATOM 1279 CA LYS A 81 -15.393 -33.486 -6.718 1.00 0.00 C ATOM 1280 C LYS A 81 -15.717 -34.973 -6.869 1.00 0.00 C ATOM 1281 O LYS A 81 -16.760 -35.344 -7.372 1.00 0.00 O ATOM 1282 CB LYS A 81 -14.491 -33.041 -7.871 1.00 0.00 C ATOM 1283 CG LYS A 81 -15.263 -33.137 -9.189 1.00 0.00 C ATOM 1284 CD LYS A 81 -14.346 -32.741 -10.348 1.00 0.00 C ATOM 1285 CE LYS A 81 -15.152 -32.703 -11.647 1.00 0.00 C ATOM 1286 NZ LYS A 81 -15.693 -31.331 -11.856 1.00 0.00 N ATOM 0 H LYS A 81 -13.766 -32.837 -5.499 1.00 0.00 H new ATOM 0 HA LYS A 81 -16.318 -32.909 -6.736 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -14.154 -32.017 -7.709 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -13.600 -33.668 -7.913 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -15.632 -34.153 -9.334 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -16.134 -32.483 -9.161 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -13.900 -31.765 -10.156 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -13.526 -33.454 -10.437 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -14.520 -32.988 -12.488 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -15.968 -33.424 -11.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -16.241 -31.305 -12.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -16.309 -31.076 -11.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -14.907 -30.653 -11.916 1.00 0.00 H new ATOM 1300 N LEU A 82 -14.832 -35.830 -6.438 1.00 0.00 N ATOM 1301 CA LEU A 82 -15.090 -37.292 -6.557 1.00 0.00 C ATOM 1302 C LEU A 82 -14.888 -37.959 -5.195 1.00 0.00 C ATOM 1303 O LEU A 82 -15.855 -38.481 -4.663 1.00 0.00 O ATOM 1304 CB LEU A 82 -14.119 -37.901 -7.571 1.00 0.00 C ATOM 1305 CG LEU A 82 -14.609 -39.292 -7.977 1.00 0.00 C ATOM 1306 CD1 LEU A 82 -14.072 -39.637 -9.367 1.00 0.00 C ATOM 1307 CD2 LEU A 82 -14.108 -40.325 -6.965 1.00 0.00 C ATOM 1308 OXT LEU A 82 -13.770 -37.937 -4.706 1.00 0.00 O ATOM 0 H LEU A 82 -13.941 -35.580 -6.009 1.00 0.00 H new ATOM 0 HA LEU A 82 -16.115 -37.453 -6.892 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -14.044 -37.260 -8.449 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -13.120 -37.968 -7.139 1.00 0.00 H new ATOM 0 HG LEU A 82 -15.699 -39.302 -7.997 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -14.421 -40.628 -9.656 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -14.429 -38.902 -10.088 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -12.982 -39.627 -9.349 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -14.457 -41.316 -7.254 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -13.018 -40.316 -6.945 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -14.491 -40.080 -5.975 1.00 0.00 H new TER 1320 LEU A 82