USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 842 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: 1 58 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: 2 53 GLN :FLIP amide:sc= -9.43! C(o=-11!,f=-9.4!) USER MOD Single : 1 1 GLU N :NH3+ -166:sc= 0 (180deg=-0.231) USER MOD Single : 1 3 TYR OH : rot 173:sc= 0.0658 USER MOD Single : 1 7 SER OG : rot -149:sc= -0.738 USER MOD Single : 1 9 ASN : amide:sc= -0.214 X(o=-0.21,f=-0.0089) USER MOD Single : 1 10 GLN : amide:sc= -10! C(o=-10!,f=-10!) USER MOD Single : 1 16 LYS NZ :NH3+ 156:sc= 1.05 (180deg=0.289!) USER MOD Single : 1 23 TYR OH : rot -127:sc= -3.36 USER MOD Single : 1 25 HIS : no HD1:sc= -0.0198 X(o=-0.02,f=-0.18) USER MOD Single : 1 27 THR OG1 : rot 64:sc=-0.00206 USER MOD Single : 1 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 32 ASN :FLIP amide:sc= -0.213 F(o=-2.2,f=-0.21) USER MOD Single : 1 33 ASN : amide:sc= -0.184 K(o=-0.18,f=-2.4!) USER MOD Single : 1 40 SER OG : rot 92:sc= 0.455 USER MOD Single : 1 50 LYS NZ :NH3+ -153:sc= -0.968 (180deg=-1.99) USER MOD Single : 1 53 GLN : amide:sc= -12! C(o=-12!,f=-18!) USER MOD Single : 2 1 GLU N :NH3+ -117:sc= 0.0611 (180deg=-0.982!) USER MOD Single : 2 3 TYR OH : rot 180:sc= 0 USER MOD Single : 2 7 SER OG : rot 127:sc= 0.138 USER MOD Single : 2 9 ASN :FLIP amide:sc= -0.444 F(o=-1.8,f=-0.44) USER MOD Single : 2 10 GLN :FLIP amide:sc= -7.71! C(o=-9.5!,f=-7.7!) USER MOD Single : 2 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 2 23 TYR OH : rot -153:sc= 0.316 USER MOD Single : 2 25 HIS : no HD1:sc= -0.245 K(o=-0.25,f=-1.2) USER MOD Single : 2 27 THR OG1 : rot 59:sc= 0.0606 USER MOD Single : 2 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 2 32 ASN :FLIP amide:sc= -0.133 F(o=-1.5,f=-0.13) USER MOD Single : 2 33 ASN : amide:sc= -0.118 K(o=-0.12,f=-2.3!) USER MOD Single : 2 40 SER OG : rot -170:sc= -0.115 USER MOD Single : 2 50 LYS NZ :NH3+ -157:sc= -0.967 (180deg=-1.87) USER MOD Single : 2 58 THR OG1 : rot 180:sc= -3.24! USER MOD ----------------------------------------------------------------- ATOM 1 N GLU 1 1 -15.398 -7.132 -4.596 1.00 0.00 N ATOM 2 CA GLU 1 1 -15.949 -6.134 -3.696 1.00 0.00 C ATOM 3 C GLU 1 1 -15.622 -6.490 -2.243 1.00 0.00 C ATOM 4 O GLU 1 1 -15.303 -5.613 -1.443 1.00 0.00 O ATOM 5 CB GLU 1 1 -17.459 -5.988 -3.897 1.00 0.00 C ATOM 6 CG GLU 1 1 -17.769 -4.998 -5.022 1.00 0.00 C ATOM 7 CD GLU 1 1 -19.260 -5.010 -5.367 1.00 0.00 C ATOM 8 OE1 GLU 1 1 -20.057 -5.240 -4.432 1.00 0.00 O ATOM 9 OE2 GLU 1 1 -19.568 -4.789 -6.558 1.00 0.00 O ATOM 0 H1 GLU 1 1 -15.415 -6.768 -5.570 1.00 0.00 H new ATOM 0 H2 GLU 1 1 -14.417 -7.343 -4.322 1.00 0.00 H new ATOM 0 H3 GLU 1 1 -15.967 -8.001 -4.541 1.00 0.00 H new ATOM 0 HA GLU 1 1 -15.490 -5.173 -3.927 1.00 0.00 H new ATOM 0 HB2 GLU 1 1 -17.894 -6.959 -4.132 1.00 0.00 H new ATOM 0 HB3 GLU 1 1 -17.922 -5.648 -2.971 1.00 0.00 H new ATOM 0 HG2 GLU 1 1 -17.470 -3.994 -4.721 1.00 0.00 H new ATOM 0 HG3 GLU 1 1 -17.185 -5.253 -5.907 1.00 0.00 H new ATOM 16 N GLU 1 2 -15.713 -7.779 -1.950 1.00 0.00 N ATOM 17 CA GLU 1 2 -15.430 -8.262 -0.608 1.00 0.00 C ATOM 18 C GLU 1 2 -13.949 -8.624 -0.476 1.00 0.00 C ATOM 19 O GLU 1 2 -13.595 -9.802 -0.437 1.00 0.00 O ATOM 20 CB GLU 1 2 -16.320 -9.456 -0.257 1.00 0.00 C ATOM 21 CG GLU 1 2 -16.774 -9.390 1.203 1.00 0.00 C ATOM 22 CD GLU 1 2 -17.752 -10.521 1.525 1.00 0.00 C ATOM 23 OE1 GLU 1 2 -18.871 -10.479 0.968 1.00 0.00 O ATOM 24 OE2 GLU 1 2 -17.361 -11.402 2.319 1.00 0.00 O ATOM 0 H GLU 1 2 -15.978 -8.503 -2.618 1.00 0.00 H new ATOM 0 HA GLU 1 2 -15.653 -7.464 0.100 1.00 0.00 H new ATOM 0 HB2 GLU 1 2 -17.191 -9.470 -0.912 1.00 0.00 H new ATOM 0 HB3 GLU 1 2 -15.775 -10.384 -0.431 1.00 0.00 H new ATOM 0 HG2 GLU 1 2 -15.907 -9.456 1.860 1.00 0.00 H new ATOM 0 HG3 GLU 1 2 -17.248 -8.428 1.397 1.00 0.00 H new ATOM 31 N TYR 1 3 -13.123 -7.590 -0.409 1.00 0.00 N ATOM 32 CA TYR 1 3 -11.689 -7.785 -0.282 1.00 0.00 C ATOM 33 C TYR 1 3 -11.353 -8.575 0.984 1.00 0.00 C ATOM 34 O TYR 1 3 -11.085 -7.989 2.032 1.00 0.00 O ATOM 35 CB TYR 1 3 -11.082 -6.384 -0.172 1.00 0.00 C ATOM 36 CG TYR 1 3 -10.741 -5.746 -1.520 1.00 0.00 C ATOM 37 CD1 TYR 1 3 -9.892 -6.393 -2.395 1.00 0.00 C ATOM 38 CD2 TYR 1 3 -11.283 -4.524 -1.862 1.00 0.00 C ATOM 39 CE1 TYR 1 3 -9.571 -5.792 -3.663 1.00 0.00 C ATOM 40 CE2 TYR 1 3 -10.962 -3.923 -3.130 1.00 0.00 C ATOM 41 CZ TYR 1 3 -10.122 -4.587 -3.968 1.00 0.00 C ATOM 42 OH TYR 1 3 -9.819 -4.019 -5.166 1.00 0.00 O ATOM 0 H TYR 1 3 -13.420 -6.615 -0.440 1.00 0.00 H new ATOM 0 HA TYR 1 3 -11.300 -8.344 -1.133 1.00 0.00 H new ATOM 0 HB2 TYR 1 3 -11.781 -5.737 0.358 1.00 0.00 H new ATOM 0 HB3 TYR 1 3 -10.176 -6.438 0.432 1.00 0.00 H new ATOM 0 HD1 TYR 1 3 -9.469 -7.350 -2.128 1.00 0.00 H new ATOM 0 HD2 TYR 1 3 -11.948 -4.018 -1.178 1.00 0.00 H new ATOM 0 HE1 TYR 1 3 -8.907 -6.287 -4.356 1.00 0.00 H new ATOM 0 HE2 TYR 1 3 -11.379 -2.967 -3.409 1.00 0.00 H new ATOM 0 HH TYR 1 3 -10.368 -3.218 -5.297 1.00 0.00 H new ATOM 52 N VAL 1 4 -11.380 -9.892 0.846 1.00 0.00 N ATOM 53 CA VAL 1 4 -11.082 -10.768 1.966 1.00 0.00 C ATOM 54 C VAL 1 4 -9.802 -11.552 1.668 1.00 0.00 C ATOM 55 O VAL 1 4 -8.893 -11.601 2.496 1.00 0.00 O ATOM 56 CB VAL 1 4 -12.282 -11.671 2.258 1.00 0.00 C ATOM 57 CG1 VAL 1 4 -13.519 -10.842 2.608 1.00 0.00 C ATOM 58 CG2 VAL 1 4 -12.563 -12.607 1.081 1.00 0.00 C ATOM 0 H VAL 1 4 -11.604 -10.374 -0.025 1.00 0.00 H new ATOM 0 HA VAL 1 4 -10.903 -10.185 2.870 1.00 0.00 H new ATOM 0 HB VAL 1 4 -12.036 -12.287 3.123 1.00 0.00 H new ATOM 0 HG11 VAL 1 4 -14.358 -11.508 2.811 1.00 0.00 H new ATOM 0 HG12 VAL 1 4 -13.314 -10.237 3.491 1.00 0.00 H new ATOM 0 HG13 VAL 1 4 -13.768 -10.189 1.771 1.00 0.00 H new ATOM 0 HG21 VAL 1 4 -13.421 -13.238 1.315 1.00 0.00 H new ATOM 0 HG22 VAL 1 4 -12.779 -12.017 0.190 1.00 0.00 H new ATOM 0 HG23 VAL 1 4 -11.690 -13.234 0.898 1.00 0.00 H new ATOM 68 N GLY 1 5 -9.772 -12.147 0.485 1.00 0.00 N ATOM 69 CA GLY 1 5 -8.618 -12.925 0.068 1.00 0.00 C ATOM 70 C GLY 1 5 -7.418 -12.020 -0.216 1.00 0.00 C ATOM 71 O GLY 1 5 -6.344 -12.500 -0.573 1.00 0.00 O ATOM 0 H GLY 1 5 -10.528 -12.106 -0.198 1.00 0.00 H new ATOM 0 HA2 GLY 1 5 -8.360 -13.644 0.846 1.00 0.00 H new ATOM 0 HA3 GLY 1 5 -8.865 -13.498 -0.826 1.00 0.00 H new ATOM 75 N LEU 1 6 -7.641 -10.724 -0.046 1.00 0.00 N ATOM 76 CA LEU 1 6 -6.592 -9.747 -0.280 1.00 0.00 C ATOM 77 C LEU 1 6 -6.460 -8.844 0.948 1.00 0.00 C ATOM 78 O LEU 1 6 -5.636 -7.931 0.966 1.00 0.00 O ATOM 79 CB LEU 1 6 -6.851 -8.983 -1.579 1.00 0.00 C ATOM 80 CG LEU 1 6 -7.580 -9.758 -2.680 1.00 0.00 C ATOM 81 CD1 LEU 1 6 -6.936 -11.127 -2.904 1.00 0.00 C ATOM 82 CD2 LEU 1 6 -9.074 -9.869 -2.372 1.00 0.00 C ATOM 0 H LEU 1 6 -8.533 -10.329 0.251 1.00 0.00 H new ATOM 0 HA LEU 1 6 -5.632 -10.244 -0.416 1.00 0.00 H new ATOM 0 HB2 LEU 1 6 -7.433 -8.092 -1.343 1.00 0.00 H new ATOM 0 HB3 LEU 1 6 -5.894 -8.643 -1.974 1.00 0.00 H new ATOM 0 HG LEU 1 6 -7.484 -9.202 -3.613 1.00 0.00 H new ATOM 0 HD11 LEU 1 6 -7.473 -11.657 -3.691 1.00 0.00 H new ATOM 0 HD12 LEU 1 6 -5.895 -10.995 -3.200 1.00 0.00 H new ATOM 0 HD13 LEU 1 6 -6.981 -11.705 -1.981 1.00 0.00 H new ATOM 0 HD21 LEU 1 6 -9.570 -10.424 -3.169 1.00 0.00 H new ATOM 0 HD22 LEU 1 6 -9.213 -10.392 -1.426 1.00 0.00 H new ATOM 0 HD23 LEU 1 6 -9.506 -8.871 -2.302 1.00 0.00 H new ATOM 94 N SER 1 7 -7.283 -9.132 1.946 1.00 0.00 N ATOM 95 CA SER 1 7 -7.268 -8.357 3.175 1.00 0.00 C ATOM 96 C SER 1 7 -6.748 -9.217 4.329 1.00 0.00 C ATOM 97 O SER 1 7 -5.953 -10.132 4.117 1.00 0.00 O ATOM 98 CB SER 1 7 -8.661 -7.817 3.502 1.00 0.00 C ATOM 99 OG SER 1 7 -9.540 -8.842 3.957 1.00 0.00 O ATOM 0 H SER 1 7 -7.964 -9.891 1.928 1.00 0.00 H new ATOM 0 HA SER 1 7 -6.601 -7.506 3.035 1.00 0.00 H new ATOM 0 HB2 SER 1 7 -8.580 -7.044 4.266 1.00 0.00 H new ATOM 0 HB3 SER 1 7 -9.084 -7.345 2.615 1.00 0.00 H new ATOM 0 HG SER 1 7 -10.458 -8.629 3.688 1.00 0.00 H new ATOM 105 N ALA 1 8 -7.219 -8.894 5.525 1.00 0.00 N ATOM 106 CA ALA 1 8 -6.812 -9.625 6.712 1.00 0.00 C ATOM 107 C ALA 1 8 -6.714 -11.115 6.379 1.00 0.00 C ATOM 108 O ALA 1 8 -7.508 -11.633 5.596 1.00 0.00 O ATOM 109 CB ALA 1 8 -7.798 -9.345 7.848 1.00 0.00 C ATOM 0 H ALA 1 8 -7.879 -8.135 5.697 1.00 0.00 H new ATOM 0 HA ALA 1 8 -5.828 -9.296 7.046 1.00 0.00 H new ATOM 0 HB1 ALA 1 8 -7.492 -9.894 8.739 1.00 0.00 H new ATOM 0 HB2 ALA 1 8 -7.809 -8.277 8.066 1.00 0.00 H new ATOM 0 HB3 ALA 1 8 -8.797 -9.664 7.550 1.00 0.00 H new ATOM 115 N ASN 1 9 -5.733 -11.762 6.992 1.00 0.00 N ATOM 116 CA ASN 1 9 -5.522 -13.183 6.770 1.00 0.00 C ATOM 117 C ASN 1 9 -4.578 -13.374 5.582 1.00 0.00 C ATOM 118 O ASN 1 9 -3.773 -14.303 5.567 1.00 0.00 O ATOM 119 CB ASN 1 9 -6.838 -13.892 6.449 1.00 0.00 C ATOM 120 CG ASN 1 9 -6.804 -15.350 6.912 1.00 0.00 C ATOM 121 OD1 ASN 1 9 -7.610 -15.793 7.713 1.00 0.00 O ATOM 122 ND2 ASN 1 9 -5.827 -16.068 6.364 1.00 0.00 N ATOM 0 H ASN 1 9 -5.076 -11.329 7.641 1.00 0.00 H new ATOM 0 HA ASN 1 9 -5.098 -13.607 7.680 1.00 0.00 H new ATOM 0 HB2 ASN 1 9 -7.663 -13.372 6.935 1.00 0.00 H new ATOM 0 HB3 ASN 1 9 -7.024 -13.852 5.376 1.00 0.00 H new ATOM 0 HD21 ASN 1 9 -5.719 -17.052 6.608 1.00 0.00 H new ATOM 0 HD22 ASN 1 9 -5.186 -15.634 5.700 1.00 0.00 H new ATOM 129 N GLN 1 10 -4.710 -12.480 4.612 1.00 0.00 N ATOM 130 CA GLN 1 10 -3.879 -12.539 3.422 1.00 0.00 C ATOM 131 C GLN 1 10 -2.400 -12.424 3.800 1.00 0.00 C ATOM 132 O GLN 1 10 -1.547 -13.062 3.185 1.00 0.00 O ATOM 133 CB GLN 1 10 -4.275 -11.451 2.423 1.00 0.00 C ATOM 134 CG GLN 1 10 -3.766 -11.785 1.019 1.00 0.00 C ATOM 135 CD GLN 1 10 -2.587 -10.888 0.635 1.00 0.00 C ATOM 136 OE1 GLN 1 10 -1.434 -11.195 0.884 1.00 0.00 O ATOM 137 NE2 GLN 1 10 -2.940 -9.764 0.018 1.00 0.00 N ATOM 0 H GLN 1 10 -5.380 -11.711 4.627 1.00 0.00 H new ATOM 0 HA GLN 1 10 -4.037 -13.504 2.940 1.00 0.00 H new ATOM 0 HB2 GLN 1 10 -5.360 -11.346 2.405 1.00 0.00 H new ATOM 0 HB3 GLN 1 10 -3.867 -10.492 2.743 1.00 0.00 H new ATOM 0 HG2 GLN 1 10 -3.460 -12.830 0.978 1.00 0.00 H new ATOM 0 HG3 GLN 1 10 -4.573 -11.660 0.297 1.00 0.00 H new ATOM 0 HE21 GLN 1 10 -3.925 -9.568 -0.160 1.00 0.00 H new ATOM 0 HE22 GLN 1 10 -2.226 -9.098 -0.277 1.00 0.00 H new ATOM 146 N CYS 1 11 -2.143 -11.606 4.810 1.00 0.00 N ATOM 147 CA CYS 1 11 -0.782 -11.399 5.277 1.00 0.00 C ATOM 148 C CYS 1 11 -0.286 -12.703 5.902 1.00 0.00 C ATOM 149 O CYS 1 11 0.879 -12.809 6.284 1.00 0.00 O ATOM 150 CB CYS 1 11 -0.693 -10.226 6.257 1.00 0.00 C ATOM 151 SG CYS 1 11 0.960 -9.970 6.999 1.00 0.00 S ATOM 0 H CYS 1 11 -2.853 -11.079 5.318 1.00 0.00 H new ATOM 0 HA CYS 1 11 -0.142 -11.134 4.436 1.00 0.00 H new ATOM 0 HB2 CYS 1 11 -0.988 -9.314 5.738 1.00 0.00 H new ATOM 0 HB3 CYS 1 11 -1.415 -10.385 7.058 1.00 0.00 H new ATOM 156 N ALA 1 12 -1.194 -13.664 5.989 1.00 0.00 N ATOM 157 CA ALA 1 12 -0.862 -14.958 6.562 1.00 0.00 C ATOM 158 C ALA 1 12 -0.785 -16.000 5.444 1.00 0.00 C ATOM 159 O ALA 1 12 -0.769 -17.201 5.710 1.00 0.00 O ATOM 160 CB ALA 1 12 -1.895 -15.324 7.630 1.00 0.00 C ATOM 0 H ALA 1 12 -2.159 -13.573 5.672 1.00 0.00 H new ATOM 0 HA ALA 1 12 0.112 -14.924 7.050 1.00 0.00 H new ATOM 0 HB1 ALA 1 12 -1.646 -16.294 8.060 1.00 0.00 H new ATOM 0 HB2 ALA 1 12 -1.890 -14.568 8.415 1.00 0.00 H new ATOM 0 HB3 ALA 1 12 -2.885 -15.371 7.177 1.00 0.00 H new ATOM 166 N VAL 1 13 -0.737 -15.503 4.217 1.00 0.00 N ATOM 167 CA VAL 1 13 -0.661 -16.377 3.059 1.00 0.00 C ATOM 168 C VAL 1 13 0.363 -17.482 3.324 1.00 0.00 C ATOM 169 O VAL 1 13 1.137 -17.400 4.276 1.00 0.00 O ATOM 170 CB VAL 1 13 -0.344 -15.557 1.805 1.00 0.00 C ATOM 171 CG1 VAL 1 13 1.078 -15.835 1.314 1.00 0.00 C ATOM 172 CG2 VAL 1 13 -1.368 -15.827 0.701 1.00 0.00 C ATOM 0 H VAL 1 13 -0.749 -14.507 4.000 1.00 0.00 H new ATOM 0 HA VAL 1 13 -1.622 -16.860 2.882 1.00 0.00 H new ATOM 0 HB VAL 1 13 -0.407 -14.501 2.069 1.00 0.00 H new ATOM 0 HG11 VAL 1 13 1.278 -15.240 0.423 1.00 0.00 H new ATOM 0 HG12 VAL 1 13 1.791 -15.570 2.095 1.00 0.00 H new ATOM 0 HG13 VAL 1 13 1.180 -16.893 1.074 1.00 0.00 H new ATOM 0 HG21 VAL 1 13 -1.120 -15.233 -0.178 1.00 0.00 H new ATOM 0 HG22 VAL 1 13 -1.351 -16.885 0.440 1.00 0.00 H new ATOM 0 HG23 VAL 1 13 -2.363 -15.556 1.054 1.00 0.00 H new ATOM 182 N PRO 1 14 0.332 -18.518 2.444 1.00 0.00 N ATOM 183 CA PRO 1 14 1.247 -19.639 2.575 1.00 0.00 C ATOM 184 C PRO 1 14 2.656 -19.251 2.123 1.00 0.00 C ATOM 185 O PRO 1 14 3.423 -20.101 1.671 1.00 0.00 O ATOM 186 CB PRO 1 14 0.636 -20.746 1.731 1.00 0.00 C ATOM 187 CG PRO 1 14 -0.345 -20.062 0.793 1.00 0.00 C ATOM 188 CD PRO 1 14 -0.573 -18.650 1.305 1.00 0.00 C ATOM 0 HA PRO 1 14 1.368 -19.965 3.608 1.00 0.00 H new ATOM 0 HB2 PRO 1 14 1.404 -21.280 1.171 1.00 0.00 H new ATOM 0 HB3 PRO 1 14 0.130 -21.481 2.357 1.00 0.00 H new ATOM 0 HG2 PRO 1 14 0.050 -20.040 -0.223 1.00 0.00 H new ATOM 0 HG3 PRO 1 14 -1.286 -20.612 0.758 1.00 0.00 H new ATOM 0 HD2 PRO 1 14 -0.352 -17.910 0.536 1.00 0.00 H new ATOM 0 HD3 PRO 1 14 -1.610 -18.500 1.604 1.00 0.00 H new ATOM 196 N ALA 1 15 2.955 -17.968 2.259 1.00 0.00 N ATOM 197 CA ALA 1 15 4.258 -17.458 1.869 1.00 0.00 C ATOM 198 C ALA 1 15 4.610 -17.979 0.475 1.00 0.00 C ATOM 199 O ALA 1 15 5.596 -18.695 0.307 1.00 0.00 O ATOM 200 CB ALA 1 15 5.296 -17.855 2.921 1.00 0.00 C ATOM 0 H ALA 1 15 2.317 -17.266 2.634 1.00 0.00 H new ATOM 0 HA ALA 1 15 4.245 -16.369 1.818 1.00 0.00 H new ATOM 0 HB1 ALA 1 15 6.274 -17.473 2.629 1.00 0.00 H new ATOM 0 HB2 ALA 1 15 5.015 -17.434 3.886 1.00 0.00 H new ATOM 0 HB3 ALA 1 15 5.339 -18.941 2.998 1.00 0.00 H new ATOM 206 N LYS 1 16 3.785 -17.601 -0.489 1.00 0.00 N ATOM 207 CA LYS 1 16 3.996 -18.022 -1.864 1.00 0.00 C ATOM 208 C LYS 1 16 2.893 -17.437 -2.748 1.00 0.00 C ATOM 209 O LYS 1 16 2.457 -18.074 -3.706 1.00 0.00 O ATOM 210 CB LYS 1 16 4.108 -19.545 -1.946 1.00 0.00 C ATOM 211 CG LYS 1 16 3.028 -20.221 -1.101 1.00 0.00 C ATOM 212 CD LYS 1 16 2.069 -21.028 -1.979 1.00 0.00 C ATOM 213 CE LYS 1 16 0.927 -20.150 -2.494 1.00 0.00 C ATOM 214 NZ LYS 1 16 0.952 -20.083 -3.972 1.00 0.00 N ATOM 0 H LYS 1 16 2.968 -17.007 -0.346 1.00 0.00 H new ATOM 0 HA LYS 1 16 4.943 -17.635 -2.240 1.00 0.00 H new ATOM 0 HB2 LYS 1 16 4.015 -19.864 -2.984 1.00 0.00 H new ATOM 0 HB3 LYS 1 16 5.093 -19.860 -1.602 1.00 0.00 H new ATOM 0 HG2 LYS 1 16 3.494 -20.878 -0.367 1.00 0.00 H new ATOM 0 HG3 LYS 1 16 2.471 -19.467 -0.546 1.00 0.00 H new ATOM 0 HD2 LYS 1 16 2.613 -21.454 -2.822 1.00 0.00 H new ATOM 0 HD3 LYS 1 16 1.662 -21.862 -1.408 1.00 0.00 H new ATOM 0 HE2 LYS 1 16 -0.029 -20.552 -2.158 1.00 0.00 H new ATOM 0 HE3 LYS 1 16 1.015 -19.147 -2.077 1.00 0.00 H new ATOM 0 HZ1 LYS 1 16 0.001 -19.854 -4.325 1.00 0.00 H new ATOM 0 HZ2 LYS 1 16 1.621 -19.347 -4.275 1.00 0.00 H new ATOM 0 HZ3 LYS 1 16 1.252 -21.002 -4.356 1.00 0.00 H new ATOM 228 N ASP 1 17 2.472 -16.232 -2.395 1.00 0.00 N ATOM 229 CA ASP 1 17 1.428 -15.554 -3.143 1.00 0.00 C ATOM 230 C ASP 1 17 1.527 -14.047 -2.900 1.00 0.00 C ATOM 231 O ASP 1 17 0.598 -13.302 -3.210 1.00 0.00 O ATOM 232 CB ASP 1 17 0.040 -16.015 -2.693 1.00 0.00 C ATOM 233 CG ASP 1 17 -1.081 -15.778 -3.708 1.00 0.00 C ATOM 234 OD1 ASP 1 17 -0.786 -15.897 -4.917 1.00 0.00 O ATOM 235 OD2 ASP 1 17 -2.207 -15.485 -3.251 1.00 0.00 O ATOM 0 H ASP 1 17 2.836 -15.707 -1.600 1.00 0.00 H new ATOM 0 HA ASP 1 17 1.563 -15.791 -4.198 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 0.084 -17.080 -2.465 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 -0.215 -15.500 -1.766 1.00 0.00 H new ATOM 240 N ARG 1 18 2.662 -13.643 -2.349 1.00 0.00 N ATOM 241 CA ARG 1 18 2.896 -12.237 -2.061 1.00 0.00 C ATOM 242 C ARG 1 18 3.521 -11.543 -3.273 1.00 0.00 C ATOM 243 O ARG 1 18 3.851 -12.195 -4.263 1.00 0.00 O ATOM 244 CB ARG 1 18 3.818 -12.069 -0.853 1.00 0.00 C ATOM 245 CG ARG 1 18 3.339 -12.918 0.326 1.00 0.00 C ATOM 246 CD ARG 1 18 4.522 -13.541 1.069 1.00 0.00 C ATOM 247 NE ARG 1 18 4.078 -14.060 2.382 1.00 0.00 N ATOM 248 CZ ARG 1 18 4.903 -14.318 3.406 1.00 0.00 C ATOM 249 NH1 ARG 1 18 6.219 -14.106 3.276 1.00 0.00 N ATOM 250 NH2 ARG 1 18 4.410 -14.788 4.561 1.00 0.00 N ATOM 0 H ARG 1 18 3.430 -14.264 -2.094 1.00 0.00 H new ATOM 0 HA ARG 1 18 1.933 -11.780 -1.834 1.00 0.00 H new ATOM 0 HB2 ARG 1 18 4.834 -12.357 -1.124 1.00 0.00 H new ATOM 0 HB3 ARG 1 18 3.851 -11.020 -0.560 1.00 0.00 H new ATOM 0 HG2 ARG 1 18 2.759 -12.300 1.012 1.00 0.00 H new ATOM 0 HG3 ARG 1 18 2.676 -13.705 -0.033 1.00 0.00 H new ATOM 0 HD2 ARG 1 18 4.950 -14.349 0.475 1.00 0.00 H new ATOM 0 HD3 ARG 1 18 5.307 -12.797 1.209 1.00 0.00 H new ATOM 0 HE ARG 1 18 3.082 -14.232 2.516 1.00 0.00 H new ATOM 0 HH11 ARG 1 18 6.594 -13.748 2.397 1.00 0.00 H new ATOM 0 HH12 ARG 1 18 6.847 -14.302 4.056 1.00 0.00 H new ATOM 0 HH21 ARG 1 18 3.408 -14.949 4.660 1.00 0.00 H new ATOM 0 HH22 ARG 1 18 5.037 -14.985 5.341 1.00 0.00 H new ATOM 264 N VAL 1 19 3.665 -10.232 -3.155 1.00 0.00 N ATOM 265 CA VAL 1 19 4.245 -9.443 -4.229 1.00 0.00 C ATOM 266 C VAL 1 19 5.678 -9.056 -3.855 1.00 0.00 C ATOM 267 O VAL 1 19 6.226 -8.098 -4.395 1.00 0.00 O ATOM 268 CB VAL 1 19 3.357 -8.233 -4.528 1.00 0.00 C ATOM 269 CG1 VAL 1 19 3.790 -7.543 -5.823 1.00 0.00 C ATOM 270 CG2 VAL 1 19 1.883 -8.637 -4.587 1.00 0.00 C ATOM 0 H VAL 1 19 3.390 -9.696 -2.332 1.00 0.00 H new ATOM 0 HA VAL 1 19 4.295 -10.027 -5.148 1.00 0.00 H new ATOM 0 HB VAL 1 19 3.476 -7.519 -3.713 1.00 0.00 H new ATOM 0 HG11 VAL 1 19 3.143 -6.686 -6.013 1.00 0.00 H new ATOM 0 HG12 VAL 1 19 4.822 -7.204 -5.728 1.00 0.00 H new ATOM 0 HG13 VAL 1 19 3.714 -8.246 -6.653 1.00 0.00 H new ATOM 0 HG21 VAL 1 19 1.273 -7.759 -4.801 1.00 0.00 H new ATOM 0 HG22 VAL 1 19 1.740 -9.378 -5.373 1.00 0.00 H new ATOM 0 HG23 VAL 1 19 1.584 -9.062 -3.629 1.00 0.00 H new ATOM 280 N ASP 1 20 6.242 -9.823 -2.933 1.00 0.00 N ATOM 281 CA ASP 1 20 7.599 -9.573 -2.480 1.00 0.00 C ATOM 282 C ASP 1 20 7.900 -8.076 -2.588 1.00 0.00 C ATOM 283 O ASP 1 20 8.426 -7.616 -3.600 1.00 0.00 O ATOM 284 CB ASP 1 20 8.615 -10.322 -3.345 1.00 0.00 C ATOM 285 CG ASP 1 20 9.993 -9.663 -3.441 1.00 0.00 C ATOM 286 OD1 ASP 1 20 10.457 -9.162 -2.395 1.00 0.00 O ATOM 287 OD2 ASP 1 20 10.551 -9.677 -4.559 1.00 0.00 O ATOM 0 H ASP 1 20 5.783 -10.618 -2.488 1.00 0.00 H new ATOM 0 HA ASP 1 20 7.679 -9.917 -1.449 1.00 0.00 H new ATOM 0 HB2 ASP 1 20 8.737 -11.329 -2.946 1.00 0.00 H new ATOM 0 HB3 ASP 1 20 8.207 -10.425 -4.351 1.00 0.00 H new ATOM 292 N CYS 1 21 7.553 -7.358 -1.530 1.00 0.00 N ATOM 293 CA CYS 1 21 7.780 -5.924 -1.492 1.00 0.00 C ATOM 294 C CYS 1 21 9.230 -5.654 -1.903 1.00 0.00 C ATOM 295 O CYS 1 21 9.523 -4.634 -2.524 1.00 0.00 O ATOM 296 CB CYS 1 21 7.458 -5.336 -0.117 1.00 0.00 C ATOM 297 SG CYS 1 21 6.500 -3.777 -0.153 1.00 0.00 S ATOM 0 H CYS 1 21 7.116 -7.743 -0.693 1.00 0.00 H new ATOM 0 HA CYS 1 21 7.107 -5.429 -2.193 1.00 0.00 H new ATOM 0 HB2 CYS 1 21 6.900 -6.076 0.457 1.00 0.00 H new ATOM 0 HB3 CYS 1 21 8.393 -5.159 0.415 1.00 0.00 H new ATOM 302 N GLY 1 22 10.097 -6.588 -1.540 1.00 0.00 N ATOM 303 CA GLY 1 22 11.508 -6.465 -1.864 1.00 0.00 C ATOM 304 C GLY 1 22 12.016 -5.053 -1.567 1.00 0.00 C ATOM 305 O GLY 1 22 12.480 -4.355 -2.468 1.00 0.00 O ATOM 0 H GLY 1 22 9.850 -7.433 -1.025 1.00 0.00 H new ATOM 0 HA2 GLY 1 22 12.082 -7.191 -1.288 1.00 0.00 H new ATOM 0 HA3 GLY 1 22 11.665 -6.698 -2.917 1.00 0.00 H new ATOM 309 N TYR 1 23 11.913 -4.674 -0.302 1.00 0.00 N ATOM 310 CA TYR 1 23 12.358 -3.358 0.124 1.00 0.00 C ATOM 311 C TYR 1 23 13.823 -3.390 0.566 1.00 0.00 C ATOM 312 O TYR 1 23 14.287 -4.388 1.115 1.00 0.00 O ATOM 313 CB TYR 1 23 11.484 -2.986 1.323 1.00 0.00 C ATOM 314 CG TYR 1 23 10.486 -1.860 1.040 1.00 0.00 C ATOM 315 CD1 TYR 1 23 10.858 -0.546 1.232 1.00 0.00 C ATOM 316 CD2 TYR 1 23 9.216 -2.160 0.592 1.00 0.00 C ATOM 317 CE1 TYR 1 23 9.919 0.514 0.967 1.00 0.00 C ATOM 318 CE2 TYR 1 23 8.278 -1.101 0.326 1.00 0.00 C ATOM 319 CZ TYR 1 23 8.675 0.184 0.527 1.00 0.00 C ATOM 320 OH TYR 1 23 7.789 1.185 0.276 1.00 0.00 O ATOM 0 H TYR 1 23 11.528 -5.255 0.442 1.00 0.00 H new ATOM 0 HA TYR 1 23 12.275 -2.642 -0.693 1.00 0.00 H new ATOM 0 HB2 TYR 1 23 10.936 -3.870 1.648 1.00 0.00 H new ATOM 0 HB3 TYR 1 23 12.128 -2.688 2.150 1.00 0.00 H new ATOM 0 HD1 TYR 1 23 11.853 -0.312 1.581 1.00 0.00 H new ATOM 0 HD2 TYR 1 23 8.926 -3.189 0.441 1.00 0.00 H new ATOM 0 HE1 TYR 1 23 10.197 1.547 1.114 1.00 0.00 H new ATOM 0 HE2 TYR 1 23 7.281 -1.322 -0.025 1.00 0.00 H new ATOM 0 HH TYR 1 23 6.956 1.015 0.763 1.00 0.00 H new ATOM 330 N PRO 1 24 14.527 -2.257 0.304 1.00 0.00 N ATOM 331 CA PRO 1 24 15.929 -2.146 0.669 1.00 0.00 C ATOM 332 C PRO 1 24 16.089 -1.937 2.176 1.00 0.00 C ATOM 333 O PRO 1 24 17.198 -2.014 2.703 1.00 0.00 O ATOM 334 CB PRO 1 24 16.458 -0.981 -0.152 1.00 0.00 C ATOM 335 CG PRO 1 24 15.236 -0.192 -0.592 1.00 0.00 C ATOM 336 CD PRO 1 24 14.009 -1.056 -0.345 1.00 0.00 C ATOM 0 HA PRO 1 24 16.492 -3.055 0.456 1.00 0.00 H new ATOM 0 HB2 PRO 1 24 17.131 -0.360 0.439 1.00 0.00 H new ATOM 0 HB3 PRO 1 24 17.025 -1.335 -1.013 1.00 0.00 H new ATOM 0 HG2 PRO 1 24 15.164 0.742 -0.035 1.00 0.00 H new ATOM 0 HG3 PRO 1 24 15.311 0.071 -1.647 1.00 0.00 H new ATOM 0 HD2 PRO 1 24 13.285 -0.544 0.289 1.00 0.00 H new ATOM 0 HD3 PRO 1 24 13.500 -1.298 -1.278 1.00 0.00 H new ATOM 344 N HIS 1 25 14.964 -1.678 2.827 1.00 0.00 N ATOM 345 CA HIS 1 25 14.966 -1.457 4.264 1.00 0.00 C ATOM 346 C HIS 1 25 13.946 -2.387 4.926 1.00 0.00 C ATOM 347 O HIS 1 25 13.303 -2.011 5.904 1.00 0.00 O ATOM 348 CB HIS 1 25 14.720 0.017 4.587 1.00 0.00 C ATOM 349 CG HIS 1 25 15.977 0.796 4.894 1.00 0.00 C ATOM 350 ND1 HIS 1 25 16.844 0.448 5.916 1.00 0.00 N ATOM 351 CD2 HIS 1 25 16.506 1.906 4.304 1.00 0.00 C ATOM 352 CE1 HIS 1 25 17.844 1.317 5.932 1.00 0.00 C ATOM 353 NE2 HIS 1 25 17.632 2.221 4.932 1.00 0.00 N ATOM 0 H HIS 1 25 14.046 -1.616 2.387 1.00 0.00 H new ATOM 0 HA HIS 1 25 15.947 -1.699 4.672 1.00 0.00 H new ATOM 0 HB2 HIS 1 25 14.213 0.484 3.743 1.00 0.00 H new ATOM 0 HB3 HIS 1 25 14.046 0.084 5.441 1.00 0.00 H new ATOM 0 HD2 HIS 1 25 16.080 2.439 3.467 1.00 0.00 H new ATOM 0 HE1 HIS 1 25 18.680 1.311 6.616 1.00 0.00 H new ATOM 0 HE2 HIS 1 25 18.239 3.009 4.705 1.00 0.00 H new ATOM 362 N VAL 1 26 13.832 -3.582 4.366 1.00 0.00 N ATOM 363 CA VAL 1 26 12.903 -4.568 4.890 1.00 0.00 C ATOM 364 C VAL 1 26 13.234 -4.846 6.358 1.00 0.00 C ATOM 365 O VAL 1 26 14.381 -5.137 6.695 1.00 0.00 O ATOM 366 CB VAL 1 26 12.931 -5.827 4.022 1.00 0.00 C ATOM 367 CG1 VAL 1 26 14.366 -6.210 3.657 1.00 0.00 C ATOM 368 CG2 VAL 1 26 12.214 -6.988 4.715 1.00 0.00 C ATOM 0 H VAL 1 26 14.368 -3.890 3.554 1.00 0.00 H new ATOM 0 HA VAL 1 26 11.882 -4.187 4.854 1.00 0.00 H new ATOM 0 HB VAL 1 26 12.397 -5.607 3.098 1.00 0.00 H new ATOM 0 HG11 VAL 1 26 14.357 -7.108 3.040 1.00 0.00 H new ATOM 0 HG12 VAL 1 26 14.831 -5.394 3.104 1.00 0.00 H new ATOM 0 HG13 VAL 1 26 14.934 -6.401 4.567 1.00 0.00 H new ATOM 0 HG21 VAL 1 26 12.249 -7.870 4.076 1.00 0.00 H new ATOM 0 HG22 VAL 1 26 12.707 -7.206 5.662 1.00 0.00 H new ATOM 0 HG23 VAL 1 26 11.175 -6.715 4.901 1.00 0.00 H new ATOM 378 N THR 1 27 12.210 -4.746 7.192 1.00 0.00 N ATOM 379 CA THR 1 27 12.378 -4.982 8.616 1.00 0.00 C ATOM 380 C THR 1 27 11.017 -5.050 9.310 1.00 0.00 C ATOM 381 O THR 1 27 10.038 -4.487 8.821 1.00 0.00 O ATOM 382 CB THR 1 27 13.291 -3.888 9.173 1.00 0.00 C ATOM 383 OG1 THR 1 27 14.388 -4.603 9.734 1.00 0.00 O ATOM 384 CG2 THR 1 27 12.671 -3.159 10.366 1.00 0.00 C ATOM 0 H THR 1 27 11.260 -4.505 6.909 1.00 0.00 H new ATOM 0 HA THR 1 27 12.851 -5.946 8.804 1.00 0.00 H new ATOM 0 HB THR 1 27 13.517 -3.168 8.386 1.00 0.00 H new ATOM 0 HG1 THR 1 27 14.863 -5.084 9.024 1.00 0.00 H new ATOM 0 HG21 THR 1 27 13.360 -2.393 10.723 1.00 0.00 H new ATOM 0 HG22 THR 1 27 11.735 -2.691 10.060 1.00 0.00 H new ATOM 0 HG23 THR 1 27 12.475 -3.872 11.167 1.00 0.00 H new ATOM 392 N PRO 1 28 10.997 -5.761 10.469 1.00 0.00 N ATOM 393 CA PRO 1 28 9.771 -5.908 11.235 1.00 0.00 C ATOM 394 C PRO 1 28 9.432 -4.617 11.982 1.00 0.00 C ATOM 395 O PRO 1 28 9.271 -4.625 13.202 1.00 0.00 O ATOM 396 CB PRO 1 28 10.029 -7.083 12.166 1.00 0.00 C ATOM 397 CG PRO 1 28 11.539 -7.252 12.216 1.00 0.00 C ATOM 398 CD PRO 1 28 12.136 -6.440 11.078 1.00 0.00 C ATOM 0 HA PRO 1 28 8.902 -6.098 10.606 1.00 0.00 H new ATOM 0 HB2 PRO 1 28 9.625 -6.890 13.160 1.00 0.00 H new ATOM 0 HB3 PRO 1 28 9.547 -7.988 11.796 1.00 0.00 H new ATOM 0 HG2 PRO 1 28 11.930 -6.911 13.175 1.00 0.00 H new ATOM 0 HG3 PRO 1 28 11.809 -8.303 12.118 1.00 0.00 H new ATOM 0 HD2 PRO 1 28 12.873 -5.725 11.445 1.00 0.00 H new ATOM 0 HD3 PRO 1 28 12.645 -7.081 10.359 1.00 0.00 H new ATOM 406 N LYS 1 29 9.335 -3.538 11.219 1.00 0.00 N ATOM 407 CA LYS 1 29 9.018 -2.242 11.793 1.00 0.00 C ATOM 408 C LYS 1 29 9.051 -1.179 10.692 1.00 0.00 C ATOM 409 O LYS 1 29 8.445 -0.119 10.831 1.00 0.00 O ATOM 410 CB LYS 1 29 9.946 -1.936 12.971 1.00 0.00 C ATOM 411 CG LYS 1 29 9.187 -1.236 14.100 1.00 0.00 C ATOM 412 CD LYS 1 29 9.246 -2.056 15.390 1.00 0.00 C ATOM 413 CE LYS 1 29 9.193 -1.146 16.620 1.00 0.00 C ATOM 414 NZ LYS 1 29 9.045 -1.952 17.853 1.00 0.00 N ATOM 0 H LYS 1 29 9.470 -3.535 10.208 1.00 0.00 H new ATOM 0 HA LYS 1 29 8.009 -2.244 12.204 1.00 0.00 H new ATOM 0 HB2 LYS 1 29 10.385 -2.862 13.343 1.00 0.00 H new ATOM 0 HB3 LYS 1 29 10.769 -1.305 12.636 1.00 0.00 H new ATOM 0 HG2 LYS 1 29 9.614 -0.248 14.273 1.00 0.00 H new ATOM 0 HG3 LYS 1 29 8.148 -1.087 13.807 1.00 0.00 H new ATOM 0 HD2 LYS 1 29 8.413 -2.759 15.417 1.00 0.00 H new ATOM 0 HD3 LYS 1 29 10.162 -2.646 15.409 1.00 0.00 H new ATOM 0 HE2 LYS 1 29 10.102 -0.547 16.676 1.00 0.00 H new ATOM 0 HE3 LYS 1 29 8.358 -0.451 16.530 1.00 0.00 H new ATOM 0 HZ1 LYS 1 29 9.011 -1.320 18.679 1.00 0.00 H new ATOM 0 HZ2 LYS 1 29 8.165 -2.505 17.803 1.00 0.00 H new ATOM 0 HZ3 LYS 1 29 9.855 -2.598 17.945 1.00 0.00 H new ATOM 428 N GLU 1 30 9.764 -1.502 9.624 1.00 0.00 N ATOM 429 CA GLU 1 30 9.883 -0.590 8.500 1.00 0.00 C ATOM 430 C GLU 1 30 8.904 -0.982 7.391 1.00 0.00 C ATOM 431 O GLU 1 30 8.206 -0.128 6.844 1.00 0.00 O ATOM 432 CB GLU 1 30 11.319 -0.552 7.974 1.00 0.00 C ATOM 433 CG GLU 1 30 12.070 0.666 8.516 1.00 0.00 C ATOM 434 CD GLU 1 30 13.217 0.239 9.433 1.00 0.00 C ATOM 435 OE1 GLU 1 30 14.179 -0.356 8.901 1.00 0.00 O ATOM 436 OE2 GLU 1 30 13.107 0.517 10.648 1.00 0.00 O ATOM 0 H GLU 1 30 10.266 -2.383 9.513 1.00 0.00 H new ATOM 0 HA GLU 1 30 9.630 0.413 8.844 1.00 0.00 H new ATOM 0 HB2 GLU 1 30 11.841 -1.464 8.264 1.00 0.00 H new ATOM 0 HB3 GLU 1 30 11.310 -0.523 6.884 1.00 0.00 H new ATOM 0 HG2 GLU 1 30 12.462 1.254 7.687 1.00 0.00 H new ATOM 0 HG3 GLU 1 30 11.381 1.308 9.064 1.00 0.00 H new ATOM 443 N CYS 1 31 8.882 -2.272 7.093 1.00 0.00 N ATOM 444 CA CYS 1 31 8.000 -2.787 6.060 1.00 0.00 C ATOM 445 C CYS 1 31 6.566 -2.382 6.408 1.00 0.00 C ATOM 446 O CYS 1 31 5.852 -1.831 5.571 1.00 0.00 O ATOM 447 CB CYS 1 31 8.142 -4.302 5.898 1.00 0.00 C ATOM 448 SG CYS 1 31 9.580 -4.835 4.899 1.00 0.00 S ATOM 0 H CYS 1 31 9.461 -2.977 7.549 1.00 0.00 H new ATOM 0 HA CYS 1 31 8.274 -2.358 5.096 1.00 0.00 H new ATOM 0 HB2 CYS 1 31 8.217 -4.754 6.887 1.00 0.00 H new ATOM 0 HB3 CYS 1 31 7.234 -4.691 5.438 1.00 0.00 H new ATOM 453 N ASN 1 32 6.186 -2.672 7.644 1.00 0.00 N ATOM 454 CA ASN 1 32 4.850 -2.345 8.112 1.00 0.00 C ATOM 455 C ASN 1 32 4.712 -0.825 8.224 1.00 0.00 C ATOM 456 O ASN 1 32 3.645 -0.320 8.572 1.00 0.00 O ATOM 457 CB ASN 1 32 4.588 -2.947 9.494 1.00 0.00 C ATOM 458 CG ASN 1 32 3.833 -4.273 9.380 1.00 0.00 C ATOM 459 OD1 ASN 1 32 4.466 -5.196 8.662 1.00 0.00 O flip ATOM 460 ND2 ASN 1 32 2.747 -4.445 9.909 1.00 0.00 N flip ATOM 0 H ASN 1 32 6.780 -3.130 8.335 1.00 0.00 H new ATOM 0 HA ASN 1 32 4.133 -2.753 7.399 1.00 0.00 H new ATOM 0 HB2 ASN 1 32 5.534 -3.107 10.011 1.00 0.00 H new ATOM 0 HB3 ASN 1 32 4.010 -2.246 10.096 1.00 0.00 H new ATOM 0 HD21 ASN 1 32 2.317 -3.693 10.447 1.00 0.00 H new ATOM 0 HD22 ASN 1 32 2.269 -5.341 9.813 1.00 0.00 H new ATOM 467 N ASN 1 33 5.804 -0.139 7.925 1.00 0.00 N ATOM 468 CA ASN 1 33 5.818 1.312 7.988 1.00 0.00 C ATOM 469 C ASN 1 33 5.716 1.880 6.572 1.00 0.00 C ATOM 470 O ASN 1 33 5.124 2.939 6.365 1.00 0.00 O ATOM 471 CB ASN 1 33 7.119 1.824 8.612 1.00 0.00 C ATOM 472 CG ASN 1 33 6.877 3.108 9.408 1.00 0.00 C ATOM 473 OD1 ASN 1 33 5.759 3.454 9.752 1.00 0.00 O ATOM 474 ND2 ASN 1 33 7.985 3.793 9.679 1.00 0.00 N ATOM 0 H ASN 1 33 6.687 -0.562 7.638 1.00 0.00 H new ATOM 0 HA ASN 1 33 4.975 1.632 8.601 1.00 0.00 H new ATOM 0 HB2 ASN 1 33 7.538 1.060 9.266 1.00 0.00 H new ATOM 0 HB3 ASN 1 33 7.854 2.011 7.829 1.00 0.00 H new ATOM 0 HD21 ASN 1 33 7.930 4.665 10.205 1.00 0.00 H new ATOM 0 HD22 ASN 1 33 8.890 3.446 9.361 1.00 0.00 H new ATOM 481 N ARG 1 34 6.304 1.153 5.633 1.00 0.00 N ATOM 482 CA ARG 1 34 6.286 1.572 4.241 1.00 0.00 C ATOM 483 C ARG 1 34 4.950 1.203 3.592 1.00 0.00 C ATOM 484 O ARG 1 34 4.534 1.832 2.622 1.00 0.00 O ATOM 485 CB ARG 1 34 7.426 0.919 3.456 1.00 0.00 C ATOM 486 CG ARG 1 34 8.669 0.753 4.330 1.00 0.00 C ATOM 487 CD ARG 1 34 9.892 1.396 3.672 1.00 0.00 C ATOM 488 NE ARG 1 34 10.671 2.150 4.680 1.00 0.00 N ATOM 489 CZ ARG 1 34 11.789 2.835 4.406 1.00 0.00 C ATOM 490 NH1 ARG 1 34 12.266 2.866 3.153 1.00 0.00 N ATOM 491 NH2 ARG 1 34 12.431 3.490 5.383 1.00 0.00 N ATOM 0 H ARG 1 34 6.796 0.277 5.808 1.00 0.00 H new ATOM 0 HA ARG 1 34 6.417 2.654 4.218 1.00 0.00 H new ATOM 0 HB2 ARG 1 34 7.106 -0.054 3.085 1.00 0.00 H new ATOM 0 HB3 ARG 1 34 7.668 1.528 2.585 1.00 0.00 H new ATOM 0 HG2 ARG 1 34 8.495 1.207 5.305 1.00 0.00 H new ATOM 0 HG3 ARG 1 34 8.859 -0.307 4.501 1.00 0.00 H new ATOM 0 HD2 ARG 1 34 10.517 0.627 3.218 1.00 0.00 H new ATOM 0 HD3 ARG 1 34 9.575 2.064 2.871 1.00 0.00 H new ATOM 0 HE ARG 1 34 10.335 2.148 5.643 1.00 0.00 H new ATOM 0 HH11 ARG 1 34 11.777 2.368 2.409 1.00 0.00 H new ATOM 0 HH12 ARG 1 34 13.117 3.388 2.944 1.00 0.00 H new ATOM 0 HH21 ARG 1 34 12.068 3.467 6.336 1.00 0.00 H new ATOM 0 HH22 ARG 1 34 13.282 4.011 5.174 1.00 0.00 H new ATOM 505 N GLY 1 35 4.318 0.185 4.155 1.00 0.00 N ATOM 506 CA GLY 1 35 3.038 -0.275 3.643 1.00 0.00 C ATOM 507 C GLY 1 35 3.113 -1.744 3.218 1.00 0.00 C ATOM 508 O GLY 1 35 2.340 -2.188 2.372 1.00 0.00 O ATOM 0 H GLY 1 35 4.667 -0.335 4.960 1.00 0.00 H new ATOM 0 HA2 GLY 1 35 2.271 -0.153 4.408 1.00 0.00 H new ATOM 0 HA3 GLY 1 35 2.741 0.339 2.793 1.00 0.00 H new ATOM 512 N CYS 1 36 4.052 -2.455 3.825 1.00 0.00 N ATOM 513 CA CYS 1 36 4.239 -3.863 3.520 1.00 0.00 C ATOM 514 C CYS 1 36 3.952 -4.671 4.787 1.00 0.00 C ATOM 515 O CYS 1 36 3.622 -4.104 5.828 1.00 0.00 O ATOM 516 CB CYS 1 36 5.639 -4.142 2.970 1.00 0.00 C ATOM 517 SG CYS 1 36 6.158 -3.045 1.600 1.00 0.00 S ATOM 0 H CYS 1 36 4.692 -2.082 4.527 1.00 0.00 H new ATOM 0 HA CYS 1 36 3.546 -4.163 2.734 1.00 0.00 H new ATOM 0 HB2 CYS 1 36 6.359 -4.050 3.783 1.00 0.00 H new ATOM 0 HB3 CYS 1 36 5.679 -5.175 2.625 1.00 0.00 H new ATOM 522 N CYS 1 37 4.088 -5.983 4.658 1.00 0.00 N ATOM 523 CA CYS 1 37 3.848 -6.874 5.779 1.00 0.00 C ATOM 524 C CYS 1 37 5.082 -7.761 5.960 1.00 0.00 C ATOM 525 O CYS 1 37 5.516 -8.426 5.021 1.00 0.00 O ATOM 526 CB CYS 1 37 2.575 -7.701 5.583 1.00 0.00 C ATOM 527 SG CYS 1 37 1.792 -8.283 7.131 1.00 0.00 S ATOM 0 H CYS 1 37 4.362 -6.450 3.793 1.00 0.00 H new ATOM 0 HA CYS 1 37 3.686 -6.288 6.684 1.00 0.00 H new ATOM 0 HB2 CYS 1 37 1.852 -7.103 5.029 1.00 0.00 H new ATOM 0 HB3 CYS 1 37 2.813 -8.567 4.965 1.00 0.00 H new ATOM 532 N PHE 1 38 5.610 -7.743 7.175 1.00 0.00 N ATOM 533 CA PHE 1 38 6.785 -8.537 7.491 1.00 0.00 C ATOM 534 C PHE 1 38 6.391 -9.950 7.926 1.00 0.00 C ATOM 535 O PHE 1 38 5.653 -10.122 8.895 1.00 0.00 O ATOM 536 CB PHE 1 38 7.497 -7.839 8.652 1.00 0.00 C ATOM 537 CG PHE 1 38 8.876 -8.419 8.975 1.00 0.00 C ATOM 538 CD1 PHE 1 38 9.966 -8.017 8.268 1.00 0.00 C ATOM 539 CD2 PHE 1 38 9.012 -9.337 9.970 1.00 0.00 C ATOM 540 CE1 PHE 1 38 11.246 -8.555 8.568 1.00 0.00 C ATOM 541 CE2 PHE 1 38 10.292 -9.875 10.269 1.00 0.00 C ATOM 542 CZ PHE 1 38 11.382 -9.472 9.562 1.00 0.00 C ATOM 0 H PHE 1 38 5.246 -7.191 7.952 1.00 0.00 H new ATOM 0 HA PHE 1 38 7.425 -8.621 6.612 1.00 0.00 H new ATOM 0 HB2 PHE 1 38 7.606 -6.781 8.415 1.00 0.00 H new ATOM 0 HB3 PHE 1 38 6.870 -7.903 9.541 1.00 0.00 H new ATOM 0 HD1 PHE 1 38 9.858 -7.288 7.478 1.00 0.00 H new ATOM 0 HD2 PHE 1 38 8.147 -9.656 10.532 1.00 0.00 H new ATOM 0 HE1 PHE 1 38 12.111 -8.235 8.006 1.00 0.00 H new ATOM 0 HE2 PHE 1 38 10.400 -10.604 11.058 1.00 0.00 H new ATOM 0 HZ PHE 1 38 12.355 -9.881 9.790 1.00 0.00 H new ATOM 552 N ASP 1 39 6.901 -10.925 7.188 1.00 0.00 N ATOM 553 CA ASP 1 39 6.611 -12.318 7.485 1.00 0.00 C ATOM 554 C ASP 1 39 7.573 -12.815 8.566 1.00 0.00 C ATOM 555 O ASP 1 39 7.239 -12.811 9.749 1.00 0.00 O ATOM 556 CB ASP 1 39 6.797 -13.196 6.246 1.00 0.00 C ATOM 557 CG ASP 1 39 7.329 -14.603 6.524 1.00 0.00 C ATOM 558 OD1 ASP 1 39 6.538 -15.413 7.055 1.00 0.00 O ATOM 559 OD2 ASP 1 39 8.514 -14.838 6.200 1.00 0.00 O ATOM 0 H ASP 1 39 7.513 -10.778 6.385 1.00 0.00 H new ATOM 0 HA ASP 1 39 5.576 -12.383 7.820 1.00 0.00 H new ATOM 0 HB2 ASP 1 39 5.839 -13.281 5.732 1.00 0.00 H new ATOM 0 HB3 ASP 1 39 7.482 -12.694 5.563 1.00 0.00 H new ATOM 564 N SER 1 40 8.749 -13.232 8.120 1.00 0.00 N ATOM 565 CA SER 1 40 9.762 -13.731 9.034 1.00 0.00 C ATOM 566 C SER 1 40 9.533 -15.219 9.307 1.00 0.00 C ATOM 567 O SER 1 40 10.458 -15.933 9.694 1.00 0.00 O ATOM 568 CB SER 1 40 9.756 -12.945 10.346 1.00 0.00 C ATOM 569 OG SER 1 40 11.074 -12.708 10.833 1.00 0.00 O ATOM 0 H SER 1 40 9.023 -13.234 7.137 1.00 0.00 H new ATOM 0 HA SER 1 40 10.738 -13.599 8.567 1.00 0.00 H new ATOM 0 HB2 SER 1 40 9.249 -11.992 10.195 1.00 0.00 H new ATOM 0 HB3 SER 1 40 9.186 -13.495 11.095 1.00 0.00 H new ATOM 0 HG SER 1 40 11.400 -11.850 10.489 1.00 0.00 H new ATOM 575 N ARG 1 41 8.296 -15.644 9.093 1.00 0.00 N ATOM 576 CA ARG 1 41 7.934 -17.034 9.312 1.00 0.00 C ATOM 577 C ARG 1 41 8.696 -17.940 8.342 1.00 0.00 C ATOM 578 O ARG 1 41 9.183 -19.001 8.730 1.00 0.00 O ATOM 579 CB ARG 1 41 6.430 -17.248 9.123 1.00 0.00 C ATOM 580 CG ARG 1 41 5.631 -16.102 9.748 1.00 0.00 C ATOM 581 CD ARG 1 41 4.253 -16.581 10.204 1.00 0.00 C ATOM 582 NE ARG 1 41 3.370 -16.776 9.033 1.00 0.00 N ATOM 583 CZ ARG 1 41 2.129 -17.276 9.101 1.00 0.00 C ATOM 584 NH1 ARG 1 41 1.615 -17.634 10.286 1.00 0.00 N ATOM 585 NH2 ARG 1 41 1.401 -17.418 7.985 1.00 0.00 N ATOM 0 H ARG 1 41 7.532 -15.050 8.770 1.00 0.00 H new ATOM 0 HA ARG 1 41 8.200 -17.288 10.338 1.00 0.00 H new ATOM 0 HB2 ARG 1 41 6.200 -17.319 8.060 1.00 0.00 H new ATOM 0 HB3 ARG 1 41 6.133 -18.193 9.578 1.00 0.00 H new ATOM 0 HG2 ARG 1 41 6.178 -15.694 10.598 1.00 0.00 H new ATOM 0 HG3 ARG 1 41 5.518 -15.295 9.024 1.00 0.00 H new ATOM 0 HD2 ARG 1 41 4.349 -17.516 10.757 1.00 0.00 H new ATOM 0 HD3 ARG 1 41 3.813 -15.852 10.884 1.00 0.00 H new ATOM 0 HE ARG 1 41 3.729 -16.513 8.115 1.00 0.00 H new ATOM 0 HH11 ARG 1 41 2.169 -17.526 11.136 1.00 0.00 H new ATOM 0 HH12 ARG 1 41 0.670 -18.015 10.338 1.00 0.00 H new ATOM 0 HH21 ARG 1 41 1.792 -17.145 7.083 1.00 0.00 H new ATOM 0 HH22 ARG 1 41 0.456 -17.799 8.037 1.00 0.00 H new ATOM 599 N ILE 1 42 8.776 -17.488 7.099 1.00 0.00 N ATOM 600 CA ILE 1 42 9.470 -18.244 6.071 1.00 0.00 C ATOM 601 C ILE 1 42 10.601 -17.391 5.492 1.00 0.00 C ATOM 602 O ILE 1 42 10.350 -16.439 4.754 1.00 0.00 O ATOM 603 CB ILE 1 42 8.482 -18.750 5.018 1.00 0.00 C ATOM 604 CG1 ILE 1 42 7.150 -19.145 5.660 1.00 0.00 C ATOM 605 CG2 ILE 1 42 9.086 -19.895 4.204 1.00 0.00 C ATOM 606 CD1 ILE 1 42 6.355 -20.077 4.745 1.00 0.00 C ATOM 0 H ILE 1 42 8.371 -16.607 6.781 1.00 0.00 H new ATOM 0 HA ILE 1 42 9.929 -19.135 6.499 1.00 0.00 H new ATOM 0 HB ILE 1 42 8.277 -17.935 4.324 1.00 0.00 H new ATOM 0 HG12 ILE 1 42 7.334 -19.637 6.615 1.00 0.00 H new ATOM 0 HG13 ILE 1 42 6.564 -18.250 5.871 1.00 0.00 H new ATOM 0 HG21 ILE 1 42 8.363 -20.236 3.463 1.00 0.00 H new ATOM 0 HG22 ILE 1 42 9.987 -19.546 3.699 1.00 0.00 H new ATOM 0 HG23 ILE 1 42 9.340 -20.720 4.869 1.00 0.00 H new ATOM 0 HD11 ILE 1 42 5.413 -20.342 5.225 1.00 0.00 H new ATOM 0 HD12 ILE 1 42 6.151 -19.573 3.800 1.00 0.00 H new ATOM 0 HD13 ILE 1 42 6.933 -20.982 4.556 1.00 0.00 H new ATOM 618 N PRO 1 43 11.853 -17.772 5.859 1.00 0.00 N ATOM 619 CA PRO 1 43 13.024 -17.052 5.386 1.00 0.00 C ATOM 620 C PRO 1 43 13.314 -17.384 3.920 1.00 0.00 C ATOM 621 O PRO 1 43 14.219 -16.808 3.318 1.00 0.00 O ATOM 622 CB PRO 1 43 14.146 -17.467 6.322 1.00 0.00 C ATOM 623 CG PRO 1 43 13.679 -18.749 6.992 1.00 0.00 C ATOM 624 CD PRO 1 43 12.188 -18.893 6.732 1.00 0.00 C ATOM 0 HA PRO 1 43 12.889 -15.970 5.404 1.00 0.00 H new ATOM 0 HB2 PRO 1 43 15.073 -17.629 5.772 1.00 0.00 H new ATOM 0 HB3 PRO 1 43 14.345 -16.691 7.061 1.00 0.00 H new ATOM 0 HG2 PRO 1 43 14.221 -19.607 6.594 1.00 0.00 H new ATOM 0 HG3 PRO 1 43 13.878 -18.715 8.063 1.00 0.00 H new ATOM 0 HD2 PRO 1 43 11.959 -19.847 6.257 1.00 0.00 H new ATOM 0 HD3 PRO 1 43 11.619 -18.855 7.661 1.00 0.00 H new ATOM 632 N GLY 1 44 12.530 -18.311 3.390 1.00 0.00 N ATOM 633 CA GLY 1 44 12.693 -18.725 2.007 1.00 0.00 C ATOM 634 C GLY 1 44 11.780 -17.918 1.081 1.00 0.00 C ATOM 635 O GLY 1 44 11.855 -18.048 -0.140 1.00 0.00 O ATOM 0 H GLY 1 44 11.781 -18.787 3.893 1.00 0.00 H new ATOM 0 HA2 GLY 1 44 13.732 -18.593 1.704 1.00 0.00 H new ATOM 0 HA3 GLY 1 44 12.466 -19.787 1.912 1.00 0.00 H new ATOM 639 N VAL 1 45 10.938 -17.102 1.698 1.00 0.00 N ATOM 640 CA VAL 1 45 10.012 -16.274 0.945 1.00 0.00 C ATOM 641 C VAL 1 45 10.268 -14.801 1.274 1.00 0.00 C ATOM 642 O VAL 1 45 11.206 -14.478 2.001 1.00 0.00 O ATOM 643 CB VAL 1 45 8.572 -16.708 1.228 1.00 0.00 C ATOM 644 CG1 VAL 1 45 8.489 -18.219 1.449 1.00 0.00 C ATOM 645 CG2 VAL 1 45 7.995 -15.946 2.423 1.00 0.00 C ATOM 0 H VAL 1 45 10.878 -16.997 2.711 1.00 0.00 H new ATOM 0 HA VAL 1 45 10.171 -16.401 -0.126 1.00 0.00 H new ATOM 0 HB VAL 1 45 7.970 -16.464 0.353 1.00 0.00 H new ATOM 0 HG11 VAL 1 45 7.455 -18.501 1.648 1.00 0.00 H new ATOM 0 HG12 VAL 1 45 8.841 -18.737 0.557 1.00 0.00 H new ATOM 0 HG13 VAL 1 45 9.111 -18.497 2.300 1.00 0.00 H new ATOM 0 HG21 VAL 1 45 6.971 -16.273 2.603 1.00 0.00 H new ATOM 0 HG22 VAL 1 45 8.600 -16.144 3.308 1.00 0.00 H new ATOM 0 HG23 VAL 1 45 8.002 -14.877 2.211 1.00 0.00 H new ATOM 655 N PRO 1 46 9.394 -13.926 0.709 1.00 0.00 N ATOM 656 CA PRO 1 46 9.516 -12.495 0.934 1.00 0.00 C ATOM 657 C PRO 1 46 9.039 -12.119 2.339 1.00 0.00 C ATOM 658 O PRO 1 46 7.878 -12.338 2.683 1.00 0.00 O ATOM 659 CB PRO 1 46 8.690 -11.851 -0.166 1.00 0.00 C ATOM 660 CG PRO 1 46 7.764 -12.940 -0.684 1.00 0.00 C ATOM 661 CD PRO 1 46 8.270 -14.273 -0.157 1.00 0.00 C ATOM 0 HA PRO 1 46 10.549 -12.149 0.891 1.00 0.00 H new ATOM 0 HB2 PRO 1 46 8.121 -11.004 0.218 1.00 0.00 H new ATOM 0 HB3 PRO 1 46 9.329 -11.470 -0.963 1.00 0.00 H new ATOM 0 HG2 PRO 1 46 6.741 -12.762 -0.351 1.00 0.00 H new ATOM 0 HG3 PRO 1 46 7.749 -12.941 -1.774 1.00 0.00 H new ATOM 0 HD2 PRO 1 46 7.493 -14.801 0.395 1.00 0.00 H new ATOM 0 HD3 PRO 1 46 8.584 -14.927 -0.970 1.00 0.00 H new ATOM 669 N TRP 1 47 9.957 -11.561 3.112 1.00 0.00 N ATOM 670 CA TRP 1 47 9.645 -11.152 4.471 1.00 0.00 C ATOM 671 C TRP 1 47 9.166 -9.699 4.430 1.00 0.00 C ATOM 672 O TRP 1 47 9.371 -8.947 5.382 1.00 0.00 O ATOM 673 CB TRP 1 47 10.845 -11.360 5.396 1.00 0.00 C ATOM 674 CG TRP 1 47 11.939 -12.253 4.806 1.00 0.00 C ATOM 675 CD1 TRP 1 47 11.967 -13.591 4.745 1.00 0.00 C ATOM 676 CD2 TRP 1 47 13.169 -11.814 4.192 1.00 0.00 C ATOM 677 NE1 TRP 1 47 13.121 -14.046 4.140 1.00 0.00 N ATOM 678 CE2 TRP 1 47 13.875 -12.931 3.793 1.00 0.00 C ATOM 679 CE3 TRP 1 47 13.668 -10.517 3.982 1.00 0.00 C ATOM 680 CZ2 TRP 1 47 15.121 -12.863 3.157 1.00 0.00 C ATOM 681 CZ3 TRP 1 47 14.915 -10.466 3.346 1.00 0.00 C ATOM 682 CH2 TRP 1 47 15.639 -11.581 2.937 1.00 0.00 C ATOM 0 H TRP 1 47 10.919 -11.382 2.823 1.00 0.00 H new ATOM 0 HA TRP 1 47 8.848 -11.769 4.886 1.00 0.00 H new ATOM 0 HB2 TRP 1 47 11.275 -10.389 5.640 1.00 0.00 H new ATOM 0 HB3 TRP 1 47 10.498 -11.798 6.332 1.00 0.00 H new ATOM 0 HD1 TRP 1 47 11.185 -14.233 5.122 1.00 0.00 H new ATOM 0 HE1 TRP 1 47 13.374 -15.021 3.977 1.00 0.00 H new ATOM 0 HE3 TRP 1 47 13.132 -9.630 4.287 1.00 0.00 H new ATOM 0 HZ2 TRP 1 47 15.654 -13.752 2.853 1.00 0.00 H new ATOM 0 HZ3 TRP 1 47 15.344 -9.493 3.160 1.00 0.00 H new ATOM 0 HH2 TRP 1 47 16.596 -11.458 2.452 1.00 0.00 H new ATOM 693 N CYS 1 48 8.539 -9.347 3.316 1.00 0.00 N ATOM 694 CA CYS 1 48 8.030 -7.998 3.139 1.00 0.00 C ATOM 695 C CYS 1 48 7.185 -7.968 1.864 1.00 0.00 C ATOM 696 O CYS 1 48 7.710 -8.119 0.763 1.00 0.00 O ATOM 697 CB CYS 1 48 9.161 -6.968 3.099 1.00 0.00 C ATOM 698 SG CYS 1 48 8.614 -5.225 3.201 1.00 0.00 S ATOM 0 H CYS 1 48 8.372 -9.973 2.528 1.00 0.00 H new ATOM 0 HA CYS 1 48 7.409 -7.725 3.992 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 9.845 -7.168 3.923 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 9.725 -7.104 2.176 1.00 0.00 H new ATOM 703 N PHE 1 49 5.888 -7.772 2.057 1.00 0.00 N ATOM 704 CA PHE 1 49 4.965 -7.719 0.937 1.00 0.00 C ATOM 705 C PHE 1 49 3.777 -6.806 1.246 1.00 0.00 C ATOM 706 O PHE 1 49 3.776 -6.105 2.258 1.00 0.00 O ATOM 707 CB PHE 1 49 4.453 -9.144 0.712 1.00 0.00 C ATOM 708 CG PHE 1 49 4.406 -9.995 1.982 1.00 0.00 C ATOM 709 CD1 PHE 1 49 5.560 -10.458 2.533 1.00 0.00 C ATOM 710 CD2 PHE 1 49 3.211 -10.289 2.560 1.00 0.00 C ATOM 711 CE1 PHE 1 49 5.517 -11.248 3.713 1.00 0.00 C ATOM 712 CE2 PHE 1 49 3.167 -11.080 3.739 1.00 0.00 C ATOM 713 CZ PHE 1 49 4.321 -11.543 4.290 1.00 0.00 C ATOM 0 H PHE 1 49 5.456 -7.648 2.972 1.00 0.00 H new ATOM 0 HA PHE 1 49 5.472 -7.324 0.056 1.00 0.00 H new ATOM 0 HB2 PHE 1 49 3.453 -9.096 0.282 1.00 0.00 H new ATOM 0 HB3 PHE 1 49 5.092 -9.637 -0.020 1.00 0.00 H new ATOM 0 HD1 PHE 1 49 6.509 -10.225 2.073 1.00 0.00 H new ATOM 0 HD2 PHE 1 49 2.295 -9.921 2.122 1.00 0.00 H new ATOM 0 HE1 PHE 1 49 6.433 -11.614 4.152 1.00 0.00 H new ATOM 0 HE2 PHE 1 49 2.218 -11.314 4.198 1.00 0.00 H new ATOM 0 HZ PHE 1 49 4.288 -12.145 5.186 1.00 0.00 H new ATOM 723 N LYS 1 50 2.794 -6.844 0.358 1.00 0.00 N ATOM 724 CA LYS 1 50 1.604 -6.028 0.525 1.00 0.00 C ATOM 725 C LYS 1 50 0.372 -6.935 0.562 1.00 0.00 C ATOM 726 O LYS 1 50 -0.408 -6.969 -0.388 1.00 0.00 O ATOM 727 CB LYS 1 50 1.539 -4.947 -0.556 1.00 0.00 C ATOM 728 CG LYS 1 50 2.322 -5.370 -1.802 1.00 0.00 C ATOM 729 CD LYS 1 50 3.767 -4.872 -1.735 1.00 0.00 C ATOM 730 CE LYS 1 50 3.818 -3.372 -1.440 1.00 0.00 C ATOM 731 NZ LYS 1 50 2.718 -2.669 -2.137 1.00 0.00 N ATOM 0 H LYS 1 50 2.798 -7.427 -0.479 1.00 0.00 H new ATOM 0 HA LYS 1 50 1.638 -5.494 1.475 1.00 0.00 H new ATOM 0 HB2 LYS 1 50 0.499 -4.756 -0.823 1.00 0.00 H new ATOM 0 HB3 LYS 1 50 1.945 -4.013 -0.167 1.00 0.00 H new ATOM 0 HG2 LYS 1 50 2.311 -6.456 -1.891 1.00 0.00 H new ATOM 0 HG3 LYS 1 50 1.837 -4.972 -2.693 1.00 0.00 H new ATOM 0 HD2 LYS 1 50 4.307 -5.417 -0.961 1.00 0.00 H new ATOM 0 HD3 LYS 1 50 4.270 -5.078 -2.680 1.00 0.00 H new ATOM 0 HE2 LYS 1 50 3.742 -3.204 -0.366 1.00 0.00 H new ATOM 0 HE3 LYS 1 50 4.777 -2.965 -1.759 1.00 0.00 H new ATOM 0 HZ1 LYS 1 50 2.997 -1.684 -2.321 1.00 0.00 H new ATOM 0 HZ2 LYS 1 50 2.518 -3.146 -3.039 1.00 0.00 H new ATOM 0 HZ3 LYS 1 50 1.865 -2.682 -1.542 1.00 0.00 H new ATOM 745 N PRO 1 51 0.230 -7.666 1.701 1.00 0.00 N ATOM 746 CA PRO 1 51 -0.893 -8.570 1.875 1.00 0.00 C ATOM 747 C PRO 1 51 -2.180 -7.796 2.173 1.00 0.00 C ATOM 748 O PRO 1 51 -2.839 -7.306 1.257 1.00 0.00 O ATOM 749 CB PRO 1 51 -0.482 -9.496 3.009 1.00 0.00 C ATOM 750 CG PRO 1 51 0.651 -8.788 3.734 1.00 0.00 C ATOM 751 CD PRO 1 51 1.134 -7.652 2.847 1.00 0.00 C ATOM 0 HA PRO 1 51 -1.116 -9.140 0.973 1.00 0.00 H new ATOM 0 HB2 PRO 1 51 -1.319 -9.685 3.682 1.00 0.00 H new ATOM 0 HB3 PRO 1 51 -0.157 -10.463 2.625 1.00 0.00 H new ATOM 0 HG2 PRO 1 51 0.308 -8.403 4.694 1.00 0.00 H new ATOM 0 HG3 PRO 1 51 1.465 -9.483 3.941 1.00 0.00 H new ATOM 0 HD2 PRO 1 51 1.095 -6.697 3.371 1.00 0.00 H new ATOM 0 HD3 PRO 1 51 2.168 -7.804 2.537 1.00 0.00 H new ATOM 759 N LEU 1 52 -2.496 -7.709 3.456 1.00 0.00 N ATOM 760 CA LEU 1 52 -3.691 -7.002 3.886 1.00 0.00 C ATOM 761 C LEU 1 52 -3.327 -5.558 4.234 1.00 0.00 C ATOM 762 O LEU 1 52 -3.926 -4.961 5.128 1.00 0.00 O ATOM 763 CB LEU 1 52 -4.378 -7.756 5.026 1.00 0.00 C ATOM 764 CG LEU 1 52 -3.844 -7.476 6.432 1.00 0.00 C ATOM 765 CD1 LEU 1 52 -4.943 -6.912 7.335 1.00 0.00 C ATOM 766 CD2 LEU 1 52 -3.196 -8.727 7.032 1.00 0.00 C ATOM 0 H LEU 1 52 -1.946 -8.116 4.212 1.00 0.00 H new ATOM 0 HA LEU 1 52 -4.421 -6.960 3.077 1.00 0.00 H new ATOM 0 HB2 LEU 1 52 -5.441 -7.513 5.007 1.00 0.00 H new ATOM 0 HB3 LEU 1 52 -4.292 -8.825 4.832 1.00 0.00 H new ATOM 0 HG LEU 1 52 -3.067 -6.715 6.356 1.00 0.00 H new ATOM 0 HD11 LEU 1 52 -4.536 -6.722 8.328 1.00 0.00 H new ATOM 0 HD12 LEU 1 52 -5.318 -5.980 6.912 1.00 0.00 H new ATOM 0 HD13 LEU 1 52 -5.758 -7.632 7.408 1.00 0.00 H new ATOM 0 HD21 LEU 1 52 -2.825 -8.501 8.032 1.00 0.00 H new ATOM 0 HD22 LEU 1 52 -3.935 -9.526 7.092 1.00 0.00 H new ATOM 0 HD23 LEU 1 52 -2.367 -9.046 6.400 1.00 0.00 H new ATOM 778 N GLN 1 53 -2.346 -5.038 3.511 1.00 0.00 N ATOM 779 CA GLN 1 53 -1.895 -3.675 3.733 1.00 0.00 C ATOM 780 C GLN 1 53 -3.076 -2.705 3.658 1.00 0.00 C ATOM 781 O GLN 1 53 -3.026 -1.615 4.226 1.00 0.00 O ATOM 782 CB GLN 1 53 -0.805 -3.288 2.731 1.00 0.00 C ATOM 783 CG GLN 1 53 0.408 -4.213 2.856 1.00 0.00 C ATOM 784 CD GLN 1 53 0.960 -4.205 4.283 1.00 0.00 C ATOM 785 OE1 GLN 1 53 1.717 -3.334 4.678 1.00 0.00 O ATOM 786 NE2 GLN 1 53 0.539 -5.221 5.031 1.00 0.00 N ATOM 0 H GLN 1 53 -1.851 -5.536 2.771 1.00 0.00 H new ATOM 0 HA GLN 1 53 -1.463 -3.615 4.732 1.00 0.00 H new ATOM 0 HB2 GLN 1 53 -1.203 -3.339 1.718 1.00 0.00 H new ATOM 0 HB3 GLN 1 53 -0.499 -2.256 2.902 1.00 0.00 H new ATOM 0 HG2 GLN 1 53 0.126 -5.228 2.577 1.00 0.00 H new ATOM 0 HG3 GLN 1 53 1.185 -3.896 2.160 1.00 0.00 H new ATOM 0 HE21 GLN 1 53 -0.095 -5.916 4.637 1.00 0.00 H new ATOM 0 HE22 GLN 1 53 0.850 -5.305 5.999 1.00 0.00 H new ATOM 795 N GLU 1 54 -4.112 -3.137 2.953 1.00 0.00 N ATOM 796 CA GLU 1 54 -5.304 -2.322 2.798 1.00 0.00 C ATOM 797 C GLU 1 54 -5.627 -1.597 4.106 1.00 0.00 C ATOM 798 O GLU 1 54 -6.226 -0.524 4.094 1.00 0.00 O ATOM 799 CB GLU 1 54 -6.490 -3.168 2.333 1.00 0.00 C ATOM 800 CG GLU 1 54 -7.331 -3.634 3.523 1.00 0.00 C ATOM 801 CD GLU 1 54 -8.397 -2.596 3.882 1.00 0.00 C ATOM 802 OE1 GLU 1 54 -9.429 -2.576 3.178 1.00 0.00 O ATOM 803 OE2 GLU 1 54 -8.154 -1.845 4.851 1.00 0.00 O ATOM 0 H GLU 1 54 -4.150 -4.041 2.483 1.00 0.00 H new ATOM 0 HA GLU 1 54 -5.110 -1.574 2.030 1.00 0.00 H new ATOM 0 HB2 GLU 1 54 -7.110 -2.587 1.650 1.00 0.00 H new ATOM 0 HB3 GLU 1 54 -6.128 -4.033 1.778 1.00 0.00 H new ATOM 0 HG2 GLU 1 54 -7.809 -4.584 3.285 1.00 0.00 H new ATOM 0 HG3 GLU 1 54 -6.685 -3.809 4.383 1.00 0.00 H new ATOM 810 N ALA 1 55 -5.214 -2.214 5.204 1.00 0.00 N ATOM 811 CA ALA 1 55 -5.451 -1.641 6.518 1.00 0.00 C ATOM 812 C ALA 1 55 -4.950 -0.196 6.537 1.00 0.00 C ATOM 813 O ALA 1 55 -5.713 0.733 6.276 1.00 0.00 O ATOM 814 CB ALA 1 55 -4.775 -2.507 7.582 1.00 0.00 C ATOM 0 H ALA 1 55 -4.717 -3.105 5.210 1.00 0.00 H new ATOM 0 HA ALA 1 55 -6.517 -1.623 6.742 1.00 0.00 H new ATOM 0 HB1 ALA 1 55 -4.953 -2.077 8.568 1.00 0.00 H new ATOM 0 HB2 ALA 1 55 -5.187 -3.515 7.546 1.00 0.00 H new ATOM 0 HB3 ALA 1 55 -3.703 -2.546 7.391 1.00 0.00 H new ATOM 820 N GLU 1 56 -3.671 -0.050 6.850 1.00 0.00 N ATOM 821 CA GLU 1 56 -3.060 1.267 6.908 1.00 0.00 C ATOM 822 C GLU 1 56 -2.605 1.702 5.513 1.00 0.00 C ATOM 823 O GLU 1 56 -1.876 2.682 5.371 1.00 0.00 O ATOM 824 CB GLU 1 56 -1.892 1.286 7.895 1.00 0.00 C ATOM 825 CG GLU 1 56 -2.375 1.015 9.321 1.00 0.00 C ATOM 826 CD GLU 1 56 -1.408 1.603 10.350 1.00 0.00 C ATOM 827 OE1 GLU 1 56 -0.188 1.529 10.090 1.00 0.00 O ATOM 828 OE2 GLU 1 56 -1.911 2.115 11.374 1.00 0.00 O ATOM 0 H GLU 1 56 -3.041 -0.822 7.066 1.00 0.00 H new ATOM 0 HA GLU 1 56 -3.806 1.977 7.264 1.00 0.00 H new ATOM 0 HB2 GLU 1 56 -1.156 0.535 7.608 1.00 0.00 H new ATOM 0 HB3 GLU 1 56 -1.392 2.254 7.854 1.00 0.00 H new ATOM 0 HG2 GLU 1 56 -3.366 1.446 9.461 1.00 0.00 H new ATOM 0 HG3 GLU 1 56 -2.470 -0.059 9.478 1.00 0.00 H new ATOM 835 N CYS 1 57 -3.055 0.951 4.518 1.00 0.00 N ATOM 836 CA CYS 1 57 -2.704 1.247 3.139 1.00 0.00 C ATOM 837 C CYS 1 57 -3.926 1.863 2.454 1.00 0.00 C ATOM 838 O CYS 1 57 -3.919 3.043 2.110 1.00 0.00 O ATOM 839 CB CYS 1 57 -2.203 0.002 2.404 1.00 0.00 C ATOM 840 SG CYS 1 57 -1.379 0.336 0.804 1.00 0.00 S ATOM 0 H CYS 1 57 -3.659 0.138 4.639 1.00 0.00 H new ATOM 0 HA CYS 1 57 -1.879 1.959 3.115 1.00 0.00 H new ATOM 0 HB2 CYS 1 57 -1.506 -0.529 3.052 1.00 0.00 H new ATOM 0 HB3 CYS 1 57 -3.048 -0.665 2.230 1.00 0.00 H new ATOM 845 N THR 1 58 -4.944 1.034 2.276 1.00 0.00 N ATOM 846 CA THR 1 58 -6.170 1.482 1.637 1.00 0.00 C ATOM 847 C THR 1 58 -6.628 2.813 2.237 1.00 0.00 C ATOM 848 O THR 1 58 -7.250 3.625 1.552 1.00 0.00 O ATOM 849 CB THR 1 58 -7.208 0.367 1.772 1.00 0.00 C ATOM 850 OG1 THR 1 58 -7.932 0.416 0.546 1.00 0.00 O ATOM 851 CG2 THR 1 58 -8.262 0.672 2.839 1.00 0.00 C ATOM 0 H THR 1 58 -4.945 0.055 2.563 1.00 0.00 H new ATOM 0 HA THR 1 58 -6.015 1.675 0.576 1.00 0.00 H new ATOM 0 HB THR 1 58 -6.705 -0.568 2.017 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -8.626 -0.276 0.548 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -8.974 -0.152 2.893 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -7.775 0.795 3.806 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -8.789 1.590 2.578 1.00 0.00 H new ATOM 859 N PHE 1 59 -6.302 2.996 3.508 1.00 0.00 N ATOM 860 CA PHE 1 59 -6.673 4.215 4.206 1.00 0.00 C ATOM 861 C PHE 1 59 -6.639 5.420 3.264 1.00 0.00 C ATOM 862 O PHE 1 59 -7.647 5.756 2.645 1.00 0.00 O ATOM 863 CB PHE 1 59 -5.642 4.424 5.318 1.00 0.00 C ATOM 864 CG PHE 1 59 -6.252 4.806 6.668 1.00 0.00 C ATOM 865 CD1 PHE 1 59 -6.617 6.094 6.908 1.00 0.00 C ATOM 866 CD2 PHE 1 59 -6.427 3.859 7.628 1.00 0.00 C ATOM 867 CE1 PHE 1 59 -7.183 6.450 8.162 1.00 0.00 C ATOM 868 CE2 PHE 1 59 -6.993 4.215 8.882 1.00 0.00 C ATOM 869 CZ PHE 1 59 -7.359 5.502 9.122 1.00 0.00 C ATOM 0 H PHE 1 59 -5.786 2.321 4.072 1.00 0.00 H new ATOM 0 HA PHE 1 59 -7.685 4.124 4.600 1.00 0.00 H new ATOM 0 HB2 PHE 1 59 -5.062 3.509 5.439 1.00 0.00 H new ATOM 0 HB3 PHE 1 59 -4.945 5.204 5.012 1.00 0.00 H new ATOM 0 HD1 PHE 1 59 -6.477 6.846 6.146 1.00 0.00 H new ATOM 0 HD2 PHE 1 59 -6.136 2.837 7.438 1.00 0.00 H new ATOM 0 HE1 PHE 1 59 -7.473 7.473 8.353 1.00 0.00 H new ATOM 0 HE2 PHE 1 59 -7.132 3.463 9.644 1.00 0.00 H new ATOM 0 HZ PHE 1 59 -7.790 5.772 10.075 1.00 0.00 H new TER 879 PHE 1 59 ATOM 880 N GLU 2 1 -18.809 -2.009 1.393 1.00 0.00 N ATOM 881 CA GLU 2 1 -19.812 -2.182 0.356 1.00 0.00 C ATOM 882 C GLU 2 1 -19.781 -0.999 -0.614 1.00 0.00 C ATOM 883 O GLU 2 1 -19.640 -1.186 -1.822 1.00 0.00 O ATOM 884 CB GLU 2 1 -21.205 -2.357 0.963 1.00 0.00 C ATOM 885 CG GLU 2 1 -21.298 -3.663 1.755 1.00 0.00 C ATOM 886 CD GLU 2 1 -21.599 -3.389 3.230 1.00 0.00 C ATOM 887 OE1 GLU 2 1 -20.851 -2.580 3.821 1.00 0.00 O ATOM 888 OE2 GLU 2 1 -22.571 -3.994 3.732 1.00 0.00 O ATOM 0 H1 GLU 2 1 -18.108 -2.775 1.329 1.00 0.00 H new ATOM 0 H2 GLU 2 1 -18.333 -1.093 1.266 1.00 0.00 H new ATOM 0 H3 GLU 2 1 -19.267 -2.035 2.326 1.00 0.00 H new ATOM 0 HA GLU 2 1 -19.578 -3.090 -0.200 1.00 0.00 H new ATOM 0 HB2 GLU 2 1 -21.429 -1.514 1.617 1.00 0.00 H new ATOM 0 HB3 GLU 2 1 -21.954 -2.354 0.171 1.00 0.00 H new ATOM 0 HG2 GLU 2 1 -22.079 -4.294 1.332 1.00 0.00 H new ATOM 0 HG3 GLU 2 1 -20.361 -4.213 1.667 1.00 0.00 H new ATOM 895 N GLU 2 2 -19.915 0.192 -0.050 1.00 0.00 N ATOM 896 CA GLU 2 2 -19.904 1.405 -0.849 1.00 0.00 C ATOM 897 C GLU 2 2 -18.472 1.913 -1.024 1.00 0.00 C ATOM 898 O GLU 2 2 -18.160 3.043 -0.650 1.00 0.00 O ATOM 899 CB GLU 2 2 -20.796 2.481 -0.226 1.00 0.00 C ATOM 900 CG GLU 2 2 -22.273 2.105 -0.342 1.00 0.00 C ATOM 901 CD GLU 2 2 -23.131 2.946 0.606 1.00 0.00 C ATOM 902 OE1 GLU 2 2 -22.593 3.328 1.668 1.00 0.00 O ATOM 903 OE2 GLU 2 2 -24.303 3.187 0.247 1.00 0.00 O ATOM 0 H GLU 2 2 -20.032 0.343 0.952 1.00 0.00 H new ATOM 0 HA GLU 2 2 -20.308 1.171 -1.834 1.00 0.00 H new ATOM 0 HB2 GLU 2 2 -20.532 2.614 0.823 1.00 0.00 H new ATOM 0 HB3 GLU 2 2 -20.620 3.436 -0.722 1.00 0.00 H new ATOM 0 HG2 GLU 2 2 -22.609 2.251 -1.368 1.00 0.00 H new ATOM 0 HG3 GLU 2 2 -22.401 1.047 -0.112 1.00 0.00 H new ATOM 910 N TYR 2 3 -17.639 1.054 -1.592 1.00 0.00 N ATOM 911 CA TYR 2 3 -16.245 1.401 -1.820 1.00 0.00 C ATOM 912 C TYR 2 3 -16.059 2.039 -3.198 1.00 0.00 C ATOM 913 O TYR 2 3 -15.605 1.381 -4.134 1.00 0.00 O ATOM 914 CB TYR 2 3 -15.469 0.084 -1.771 1.00 0.00 C ATOM 915 CG TYR 2 3 -14.933 -0.270 -0.382 1.00 0.00 C ATOM 916 CD1 TYR 2 3 -13.679 0.158 0.003 1.00 0.00 C ATOM 917 CD2 TYR 2 3 -15.703 -1.019 0.485 1.00 0.00 C ATOM 918 CE1 TYR 2 3 -13.174 -0.175 1.310 1.00 0.00 C ATOM 919 CE2 TYR 2 3 -15.198 -1.352 1.791 1.00 0.00 C ATOM 920 CZ TYR 2 3 -13.958 -0.914 2.139 1.00 0.00 C ATOM 921 OH TYR 2 3 -13.482 -1.229 3.374 1.00 0.00 O ATOM 0 H TYR 2 3 -17.902 0.118 -1.901 1.00 0.00 H new ATOM 0 HA TYR 2 3 -15.900 2.117 -1.074 1.00 0.00 H new ATOM 0 HB2 TYR 2 3 -16.118 -0.721 -2.115 1.00 0.00 H new ATOM 0 HB3 TYR 2 3 -14.633 0.140 -2.468 1.00 0.00 H new ATOM 0 HD1 TYR 2 3 -13.076 0.743 -0.676 1.00 0.00 H new ATOM 0 HD2 TYR 2 3 -16.684 -1.355 0.183 1.00 0.00 H new ATOM 0 HE1 TYR 2 3 -12.195 0.155 1.624 1.00 0.00 H new ATOM 0 HE2 TYR 2 3 -15.790 -1.937 2.479 1.00 0.00 H new ATOM 0 HH TYR 2 3 -14.150 -1.759 3.857 1.00 0.00 H new ATOM 931 N VAL 2 4 -16.418 3.311 -3.280 1.00 0.00 N ATOM 932 CA VAL 2 4 -16.296 4.044 -4.528 1.00 0.00 C ATOM 933 C VAL 2 4 -15.350 5.230 -4.328 1.00 0.00 C ATOM 934 O VAL 2 4 -14.405 5.412 -5.094 1.00 0.00 O ATOM 935 CB VAL 2 4 -17.681 4.463 -5.028 1.00 0.00 C ATOM 936 CG1 VAL 2 4 -18.591 3.244 -5.204 1.00 0.00 C ATOM 937 CG2 VAL 2 4 -18.315 5.490 -4.089 1.00 0.00 C ATOM 0 H VAL 2 4 -16.794 3.853 -2.502 1.00 0.00 H new ATOM 0 HA VAL 2 4 -15.864 3.409 -5.302 1.00 0.00 H new ATOM 0 HB VAL 2 4 -17.558 4.933 -6.004 1.00 0.00 H new ATOM 0 HG11 VAL 2 4 -19.569 3.568 -5.560 1.00 0.00 H new ATOM 0 HG12 VAL 2 4 -18.149 2.562 -5.930 1.00 0.00 H new ATOM 0 HG13 VAL 2 4 -18.704 2.733 -4.248 1.00 0.00 H new ATOM 0 HG21 VAL 2 4 -19.298 5.771 -4.467 1.00 0.00 H new ATOM 0 HG22 VAL 2 4 -18.419 5.058 -3.094 1.00 0.00 H new ATOM 0 HG23 VAL 2 4 -17.681 6.375 -4.036 1.00 0.00 H new ATOM 947 N GLY 2 5 -15.637 6.006 -3.293 1.00 0.00 N ATOM 948 CA GLY 2 5 -14.824 7.170 -2.983 1.00 0.00 C ATOM 949 C GLY 2 5 -13.451 6.753 -2.451 1.00 0.00 C ATOM 950 O GLY 2 5 -12.613 7.602 -2.151 1.00 0.00 O ATOM 0 H GLY 2 5 -16.421 5.852 -2.659 1.00 0.00 H new ATOM 0 HA2 GLY 2 5 -14.701 7.781 -3.877 1.00 0.00 H new ATOM 0 HA3 GLY 2 5 -15.333 7.787 -2.243 1.00 0.00 H new ATOM 954 N LEU 2 6 -13.264 5.445 -2.351 1.00 0.00 N ATOM 955 CA LEU 2 6 -12.007 4.905 -1.861 1.00 0.00 C ATOM 956 C LEU 2 6 -11.509 3.826 -2.825 1.00 0.00 C ATOM 957 O LEU 2 6 -10.574 3.091 -2.511 1.00 0.00 O ATOM 958 CB LEU 2 6 -12.159 4.419 -0.419 1.00 0.00 C ATOM 959 CG LEU 2 6 -13.436 4.852 0.305 1.00 0.00 C ATOM 960 CD1 LEU 2 6 -13.562 6.377 0.328 1.00 0.00 C ATOM 961 CD2 LEU 2 6 -14.667 4.185 -0.309 1.00 0.00 C ATOM 0 H LEU 2 6 -13.961 4.744 -2.601 1.00 0.00 H new ATOM 0 HA LEU 2 6 -11.244 5.683 -1.832 1.00 0.00 H new ATOM 0 HB2 LEU 2 6 -12.116 3.330 -0.417 1.00 0.00 H new ATOM 0 HB3 LEU 2 6 -11.302 4.773 0.155 1.00 0.00 H new ATOM 0 HG LEU 2 6 -13.372 4.518 1.341 1.00 0.00 H new ATOM 0 HD11 LEU 2 6 -14.478 6.659 0.848 1.00 0.00 H new ATOM 0 HD12 LEU 2 6 -12.704 6.805 0.846 1.00 0.00 H new ATOM 0 HD13 LEU 2 6 -13.594 6.755 -0.694 1.00 0.00 H new ATOM 0 HD21 LEU 2 6 -15.561 4.510 0.224 1.00 0.00 H new ATOM 0 HD22 LEU 2 6 -14.748 4.467 -1.359 1.00 0.00 H new ATOM 0 HD23 LEU 2 6 -14.571 3.102 -0.231 1.00 0.00 H new ATOM 973 N SER 2 7 -12.159 3.763 -3.978 1.00 0.00 N ATOM 974 CA SER 2 7 -11.795 2.786 -4.989 1.00 0.00 C ATOM 975 C SER 2 7 -11.077 3.476 -6.150 1.00 0.00 C ATOM 976 O SER 2 7 -10.625 4.613 -6.018 1.00 0.00 O ATOM 977 CB SER 2 7 -13.027 2.035 -5.499 1.00 0.00 C ATOM 978 OG SER 2 7 -12.953 0.639 -5.223 1.00 0.00 O ATOM 0 H SER 2 7 -12.935 4.373 -4.234 1.00 0.00 H new ATOM 0 HA SER 2 7 -11.122 2.059 -4.534 1.00 0.00 H new ATOM 0 HB2 SER 2 7 -13.922 2.449 -5.035 1.00 0.00 H new ATOM 0 HB3 SER 2 7 -13.125 2.187 -6.574 1.00 0.00 H new ATOM 0 HG SER 2 7 -13.766 0.355 -4.755 1.00 0.00 H new ATOM 984 N ALA 2 8 -10.994 2.761 -7.263 1.00 0.00 N ATOM 985 CA ALA 2 8 -10.339 3.291 -8.446 1.00 0.00 C ATOM 986 C ALA 2 8 -11.042 4.580 -8.879 1.00 0.00 C ATOM 987 O ALA 2 8 -11.923 4.551 -9.737 1.00 0.00 O ATOM 988 CB ALA 2 8 -10.336 2.229 -9.548 1.00 0.00 C ATOM 0 H ALA 2 8 -11.370 1.819 -7.370 1.00 0.00 H new ATOM 0 HA ALA 2 8 -9.300 3.539 -8.230 1.00 0.00 H new ATOM 0 HB1 ALA 2 8 -9.844 2.627 -10.436 1.00 0.00 H new ATOM 0 HB2 ALA 2 8 -9.799 1.346 -9.201 1.00 0.00 H new ATOM 0 HB3 ALA 2 8 -11.362 1.956 -9.793 1.00 0.00 H new ATOM 994 N ASN 2 9 -10.625 5.678 -8.268 1.00 0.00 N ATOM 995 CA ASN 2 9 -11.205 6.974 -8.579 1.00 0.00 C ATOM 996 C ASN 2 9 -10.790 7.984 -7.507 1.00 0.00 C ATOM 997 O ASN 2 9 -10.657 9.174 -7.790 1.00 0.00 O ATOM 998 CB ASN 2 9 -12.733 6.904 -8.596 1.00 0.00 C ATOM 999 CG ASN 2 9 -13.346 8.306 -8.571 1.00 0.00 C ATOM 1000 OD1 ASN 2 9 -12.718 9.185 -9.347 1.00 0.00 O flip ATOM 1001 ND2 ASN 2 9 -14.325 8.571 -7.892 1.00 0.00 N flip ATOM 0 H ASN 2 9 -9.892 5.698 -7.559 1.00 0.00 H new ATOM 0 HA ASN 2 9 -10.847 7.276 -9.563 1.00 0.00 H new ATOM 0 HB2 ASN 2 9 -13.066 6.373 -9.488 1.00 0.00 H new ATOM 0 HB3 ASN 2 9 -13.084 6.334 -7.736 1.00 0.00 H new ATOM 0 HD21 ASN 2 9 -14.759 7.848 -7.318 1.00 0.00 H new ATOM 0 HD22 ASN 2 9 -14.709 9.516 -7.898 1.00 0.00 H new ATOM 1008 N GLN 2 10 -10.596 7.473 -6.300 1.00 0.00 N ATOM 1009 CA GLN 2 10 -10.199 8.316 -5.186 1.00 0.00 C ATOM 1010 C GLN 2 10 -8.823 8.931 -5.449 1.00 0.00 C ATOM 1011 O GLN 2 10 -8.547 10.049 -5.019 1.00 0.00 O ATOM 1012 CB GLN 2 10 -10.206 7.529 -3.874 1.00 0.00 C ATOM 1013 CG GLN 2 10 -9.876 8.437 -2.688 1.00 0.00 C ATOM 1014 CD GLN 2 10 -10.106 7.711 -1.361 1.00 0.00 C ATOM 1015 OE1 GLN 2 10 -9.322 6.650 -1.182 1.00 0.00 O flip ATOM 1016 NE2 GLN 2 10 -10.937 8.088 -0.552 1.00 0.00 N flip ATOM 0 H GLN 2 10 -10.706 6.486 -6.070 1.00 0.00 H new ATOM 0 HA GLN 2 10 -10.924 9.124 -5.091 1.00 0.00 H new ATOM 0 HB2 GLN 2 10 -11.184 7.072 -3.725 1.00 0.00 H new ATOM 0 HB3 GLN 2 10 -9.480 6.718 -3.929 1.00 0.00 H new ATOM 0 HG2 GLN 2 10 -8.838 8.763 -2.753 1.00 0.00 H new ATOM 0 HG3 GLN 2 10 -10.495 9.333 -2.728 1.00 0.00 H new ATOM 0 HE21 GLN 2 10 -11.506 8.910 -0.751 1.00 0.00 H new ATOM 0 HE22 GLN 2 10 -11.063 7.581 0.324 1.00 0.00 H new ATOM 1025 N CYS 2 11 -7.997 8.173 -6.154 1.00 0.00 N ATOM 1026 CA CYS 2 11 -6.656 8.629 -6.480 1.00 0.00 C ATOM 1027 C CYS 2 11 -6.773 9.845 -7.402 1.00 0.00 C ATOM 1028 O CYS 2 11 -5.775 10.496 -7.706 1.00 0.00 O ATOM 1029 CB CYS 2 11 -5.816 7.515 -7.109 1.00 0.00 C ATOM 1030 SG CYS 2 11 -4.203 8.058 -7.781 1.00 0.00 S ATOM 0 H CYS 2 11 -8.230 7.246 -6.509 1.00 0.00 H new ATOM 0 HA CYS 2 11 -6.135 8.915 -5.566 1.00 0.00 H new ATOM 0 HB2 CYS 2 11 -5.640 6.744 -6.359 1.00 0.00 H new ATOM 0 HB3 CYS 2 11 -6.392 7.054 -7.912 1.00 0.00 H new ATOM 1035 N ALA 2 12 -8.002 10.114 -7.820 1.00 0.00 N ATOM 1036 CA ALA 2 12 -8.262 11.240 -8.701 1.00 0.00 C ATOM 1037 C ALA 2 12 -8.916 12.368 -7.899 1.00 0.00 C ATOM 1038 O ALA 2 12 -9.354 13.366 -8.470 1.00 0.00 O ATOM 1039 CB ALA 2 12 -9.130 10.781 -9.874 1.00 0.00 C ATOM 0 H ALA 2 12 -8.828 9.572 -7.565 1.00 0.00 H new ATOM 0 HA ALA 2 12 -7.331 11.626 -9.116 1.00 0.00 H new ATOM 0 HB1 ALA 2 12 -9.325 11.626 -10.535 1.00 0.00 H new ATOM 0 HB2 ALA 2 12 -8.610 10.000 -10.428 1.00 0.00 H new ATOM 0 HB3 ALA 2 12 -10.075 10.390 -9.496 1.00 0.00 H new ATOM 1045 N VAL 2 13 -8.959 12.172 -6.590 1.00 0.00 N ATOM 1046 CA VAL 2 13 -9.551 13.161 -5.705 1.00 0.00 C ATOM 1047 C VAL 2 13 -9.182 14.563 -6.193 1.00 0.00 C ATOM 1048 O VAL 2 13 -8.200 14.734 -6.914 1.00 0.00 O ATOM 1049 CB VAL 2 13 -9.119 12.897 -4.262 1.00 0.00 C ATOM 1050 CG1 VAL 2 13 -8.380 14.104 -3.682 1.00 0.00 C ATOM 1051 CG2 VAL 2 13 -10.317 12.516 -3.390 1.00 0.00 C ATOM 0 H VAL 2 13 -8.594 11.343 -6.121 1.00 0.00 H new ATOM 0 HA VAL 2 13 -10.638 13.087 -5.723 1.00 0.00 H new ATOM 0 HB VAL 2 13 -8.429 12.053 -4.269 1.00 0.00 H new ATOM 0 HG11 VAL 2 13 -8.084 13.890 -2.655 1.00 0.00 H new ATOM 0 HG12 VAL 2 13 -7.492 14.309 -4.280 1.00 0.00 H new ATOM 0 HG13 VAL 2 13 -9.036 14.974 -3.697 1.00 0.00 H new ATOM 0 HG21 VAL 2 13 -9.981 12.334 -2.369 1.00 0.00 H new ATOM 0 HG22 VAL 2 13 -11.043 13.329 -3.393 1.00 0.00 H new ATOM 0 HG23 VAL 2 13 -10.782 11.613 -3.785 1.00 0.00 H new ATOM 1061 N PRO 2 14 -10.011 15.554 -5.771 1.00 0.00 N ATOM 1062 CA PRO 2 14 -9.781 16.936 -6.157 1.00 0.00 C ATOM 1063 C PRO 2 14 -8.608 17.536 -5.378 1.00 0.00 C ATOM 1064 O PRO 2 14 -8.574 18.740 -5.130 1.00 0.00 O ATOM 1065 CB PRO 2 14 -11.098 17.645 -5.887 1.00 0.00 C ATOM 1066 CG PRO 2 14 -11.865 16.748 -4.930 1.00 0.00 C ATOM 1067 CD PRO 2 14 -11.183 15.389 -4.917 1.00 0.00 C ATOM 0 HA PRO 2 14 -9.497 17.038 -7.204 1.00 0.00 H new ATOM 0 HB2 PRO 2 14 -10.929 18.629 -5.450 1.00 0.00 H new ATOM 0 HB3 PRO 2 14 -11.656 17.798 -6.811 1.00 0.00 H new ATOM 0 HG2 PRO 2 14 -11.876 17.179 -3.929 1.00 0.00 H new ATOM 0 HG3 PRO 2 14 -12.903 16.651 -5.247 1.00 0.00 H new ATOM 0 HD2 PRO 2 14 -10.898 15.099 -3.906 1.00 0.00 H new ATOM 0 HD3 PRO 2 14 -11.844 14.611 -5.298 1.00 0.00 H new ATOM 1075 N ALA 2 15 -7.676 16.668 -5.015 1.00 0.00 N ATOM 1076 CA ALA 2 15 -6.504 17.097 -4.269 1.00 0.00 C ATOM 1077 C ALA 2 15 -6.951 17.873 -3.029 1.00 0.00 C ATOM 1078 O ALA 2 15 -6.769 19.088 -2.953 1.00 0.00 O ATOM 1079 CB ALA 2 15 -5.594 17.925 -5.178 1.00 0.00 C ATOM 0 H ALA 2 15 -7.708 15.670 -5.223 1.00 0.00 H new ATOM 0 HA ALA 2 15 -5.929 16.236 -3.930 1.00 0.00 H new ATOM 0 HB1 ALA 2 15 -4.716 18.246 -4.618 1.00 0.00 H new ATOM 0 HB2 ALA 2 15 -5.281 17.319 -6.028 1.00 0.00 H new ATOM 0 HB3 ALA 2 15 -6.136 18.800 -5.536 1.00 0.00 H new ATOM 1085 N LYS 2 16 -7.527 17.141 -2.087 1.00 0.00 N ATOM 1086 CA LYS 2 16 -8.001 17.747 -0.853 1.00 0.00 C ATOM 1087 C LYS 2 16 -8.935 16.769 -0.137 1.00 0.00 C ATOM 1088 O LYS 2 16 -9.972 17.168 0.389 1.00 0.00 O ATOM 1089 CB LYS 2 16 -8.637 19.109 -1.135 1.00 0.00 C ATOM 1090 CG LYS 2 16 -9.421 19.088 -2.449 1.00 0.00 C ATOM 1091 CD LYS 2 16 -10.825 19.664 -2.259 1.00 0.00 C ATOM 1092 CE LYS 2 16 -11.625 18.837 -1.250 1.00 0.00 C ATOM 1093 NZ LYS 2 16 -13.078 19.033 -1.455 1.00 0.00 N ATOM 0 H LYS 2 16 -7.676 16.134 -2.153 1.00 0.00 H new ATOM 0 HA LYS 2 16 -7.167 17.944 -0.180 1.00 0.00 H new ATOM 0 HB2 LYS 2 16 -9.302 19.380 -0.315 1.00 0.00 H new ATOM 0 HB3 LYS 2 16 -7.861 19.873 -1.183 1.00 0.00 H new ATOM 0 HG2 LYS 2 16 -8.887 19.664 -3.204 1.00 0.00 H new ATOM 0 HG3 LYS 2 16 -9.491 18.065 -2.819 1.00 0.00 H new ATOM 0 HD2 LYS 2 16 -10.755 20.696 -1.915 1.00 0.00 H new ATOM 0 HD3 LYS 2 16 -11.347 19.682 -3.216 1.00 0.00 H new ATOM 0 HE2 LYS 2 16 -11.376 17.781 -1.357 1.00 0.00 H new ATOM 0 HE3 LYS 2 16 -11.352 19.127 -0.235 1.00 0.00 H new ATOM 0 HZ1 LYS 2 16 -13.606 18.465 -0.762 1.00 0.00 H new ATOM 0 HZ2 LYS 2 16 -13.314 20.038 -1.330 1.00 0.00 H new ATOM 0 HZ3 LYS 2 16 -13.336 18.734 -2.417 1.00 0.00 H new ATOM 1107 N ASP 2 17 -8.532 15.507 -0.138 1.00 0.00 N ATOM 1108 CA ASP 2 17 -9.319 14.469 0.504 1.00 0.00 C ATOM 1109 C ASP 2 17 -8.440 13.238 0.738 1.00 0.00 C ATOM 1110 O ASP 2 17 -8.944 12.161 1.050 1.00 0.00 O ATOM 1111 CB ASP 2 17 -10.499 14.047 -0.374 1.00 0.00 C ATOM 1112 CG ASP 2 17 -11.594 13.261 0.349 1.00 0.00 C ATOM 1113 OD1 ASP 2 17 -11.470 13.117 1.584 1.00 0.00 O ATOM 1114 OD2 ASP 2 17 -12.534 12.823 -0.351 1.00 0.00 O ATOM 0 H ASP 2 17 -7.670 15.180 -0.574 1.00 0.00 H new ATOM 0 HA ASP 2 17 -9.696 14.868 1.446 1.00 0.00 H new ATOM 0 HB2 ASP 2 17 -10.943 14.940 -0.813 1.00 0.00 H new ATOM 0 HB3 ASP 2 17 -10.121 13.441 -1.198 1.00 0.00 H new ATOM 1119 N ARG 2 18 -7.141 13.440 0.577 1.00 0.00 N ATOM 1120 CA ARG 2 18 -6.186 12.360 0.765 1.00 0.00 C ATOM 1121 C ARG 2 18 -5.682 12.344 2.210 1.00 0.00 C ATOM 1122 O ARG 2 18 -6.082 13.178 3.020 1.00 0.00 O ATOM 1123 CB ARG 2 18 -4.995 12.507 -0.183 1.00 0.00 C ATOM 1124 CG ARG 2 18 -5.461 12.786 -1.613 1.00 0.00 C ATOM 1125 CD ARG 2 18 -4.545 13.800 -2.300 1.00 0.00 C ATOM 1126 NE ARG 2 18 -4.809 13.816 -3.755 1.00 0.00 N ATOM 1127 CZ ARG 2 18 -3.981 14.350 -4.665 1.00 0.00 C ATOM 1128 NH1 ARG 2 18 -2.830 14.913 -4.272 1.00 0.00 N ATOM 1129 NH2 ARG 2 18 -4.303 14.319 -5.965 1.00 0.00 N ATOM 0 H ARG 2 18 -6.727 14.335 0.318 1.00 0.00 H new ATOM 0 HA ARG 2 18 -6.697 11.423 0.544 1.00 0.00 H new ATOM 0 HB2 ARG 2 18 -4.352 13.319 0.158 1.00 0.00 H new ATOM 0 HB3 ARG 2 18 -4.396 11.597 -0.163 1.00 0.00 H new ATOM 0 HG2 ARG 2 18 -5.473 11.857 -2.183 1.00 0.00 H new ATOM 0 HG3 ARG 2 18 -6.483 13.165 -1.599 1.00 0.00 H new ATOM 0 HD2 ARG 2 18 -4.709 14.793 -1.881 1.00 0.00 H new ATOM 0 HD3 ARG 2 18 -3.502 13.544 -2.114 1.00 0.00 H new ATOM 0 HE ARG 2 18 -5.676 13.394 -4.088 1.00 0.00 H new ATOM 0 HH11 ARG 2 18 -2.585 14.935 -3.282 1.00 0.00 H new ATOM 0 HH12 ARG 2 18 -2.199 15.320 -4.963 1.00 0.00 H new ATOM 0 HH21 ARG 2 18 -5.178 13.889 -6.263 1.00 0.00 H new ATOM 0 HH22 ARG 2 18 -3.673 14.725 -6.656 1.00 0.00 H new ATOM 1143 N VAL 2 19 -4.812 11.384 2.488 1.00 0.00 N ATOM 1144 CA VAL 2 19 -4.248 11.249 3.820 1.00 0.00 C ATOM 1145 C VAL 2 19 -2.778 11.671 3.793 1.00 0.00 C ATOM 1146 O VAL 2 19 -2.008 11.306 4.680 1.00 0.00 O ATOM 1147 CB VAL 2 19 -4.452 9.821 4.331 1.00 0.00 C ATOM 1148 CG1 VAL 2 19 -4.002 9.691 5.788 1.00 0.00 C ATOM 1149 CG2 VAL 2 19 -5.908 9.381 4.165 1.00 0.00 C ATOM 0 H VAL 2 19 -4.484 10.693 1.814 1.00 0.00 H new ATOM 0 HA VAL 2 19 -4.761 11.908 4.521 1.00 0.00 H new ATOM 0 HB VAL 2 19 -3.832 9.158 3.728 1.00 0.00 H new ATOM 0 HG11 VAL 2 19 -4.158 8.667 6.127 1.00 0.00 H new ATOM 0 HG12 VAL 2 19 -2.944 9.942 5.866 1.00 0.00 H new ATOM 0 HG13 VAL 2 19 -4.583 10.371 6.410 1.00 0.00 H new ATOM 0 HG21 VAL 2 19 -6.025 8.363 4.536 1.00 0.00 H new ATOM 0 HG22 VAL 2 19 -6.557 10.050 4.730 1.00 0.00 H new ATOM 0 HG23 VAL 2 19 -6.181 9.416 3.110 1.00 0.00 H new ATOM 1159 N ASP 2 20 -2.433 12.433 2.766 1.00 0.00 N ATOM 1160 CA ASP 2 20 -1.068 12.908 2.612 1.00 0.00 C ATOM 1161 C ASP 2 20 -0.102 11.854 3.155 1.00 0.00 C ATOM 1162 O ASP 2 20 0.267 11.890 4.329 1.00 0.00 O ATOM 1163 CB ASP 2 20 -0.844 14.203 3.395 1.00 0.00 C ATOM 1164 CG ASP 2 20 0.596 14.440 3.855 1.00 0.00 C ATOM 1165 OD1 ASP 2 20 1.434 14.719 2.971 1.00 0.00 O ATOM 1166 OD2 ASP 2 20 0.825 14.339 5.079 1.00 0.00 O ATOM 0 H ASP 2 20 -3.075 12.733 2.032 1.00 0.00 H new ATOM 0 HA ASP 2 20 -0.893 13.093 1.552 1.00 0.00 H new ATOM 0 HB2 ASP 2 20 -1.154 15.043 2.774 1.00 0.00 H new ATOM 0 HB3 ASP 2 20 -1.493 14.197 4.271 1.00 0.00 H new ATOM 1171 N CYS 2 21 0.282 10.940 2.277 1.00 0.00 N ATOM 1172 CA CYS 2 21 1.200 9.878 2.653 1.00 0.00 C ATOM 1173 C CYS 2 21 2.433 10.514 3.296 1.00 0.00 C ATOM 1174 O CYS 2 21 3.015 9.950 4.222 1.00 0.00 O ATOM 1175 CB CYS 2 21 1.568 8.999 1.456 1.00 0.00 C ATOM 1176 SG CYS 2 21 2.169 7.325 1.889 1.00 0.00 S ATOM 0 H CYS 2 21 -0.026 10.913 1.305 1.00 0.00 H new ATOM 0 HA CYS 2 21 0.719 9.215 3.372 1.00 0.00 H new ATOM 0 HB2 CYS 2 21 0.693 8.901 0.813 1.00 0.00 H new ATOM 0 HB3 CYS 2 21 2.337 9.506 0.873 1.00 0.00 H new ATOM 1181 N GLY 2 22 2.795 11.680 2.782 1.00 0.00 N ATOM 1182 CA GLY 2 22 3.948 12.399 3.295 1.00 0.00 C ATOM 1183 C GLY 2 22 5.098 11.438 3.607 1.00 0.00 C ATOM 1184 O GLY 2 22 5.574 11.382 4.740 1.00 0.00 O ATOM 0 H GLY 2 22 2.310 12.145 2.015 1.00 0.00 H new ATOM 0 HA2 GLY 2 22 4.275 13.138 2.564 1.00 0.00 H new ATOM 0 HA3 GLY 2 22 3.670 12.944 4.197 1.00 0.00 H new ATOM 1188 N TYR 2 23 5.511 10.709 2.582 1.00 0.00 N ATOM 1189 CA TYR 2 23 6.596 9.754 2.733 1.00 0.00 C ATOM 1190 C TYR 2 23 7.945 10.401 2.409 1.00 0.00 C ATOM 1191 O TYR 2 23 8.022 11.296 1.571 1.00 0.00 O ATOM 1192 CB TYR 2 23 6.323 8.641 1.719 1.00 0.00 C ATOM 1193 CG TYR 2 23 5.487 7.485 2.273 1.00 0.00 C ATOM 1194 CD1 TYR 2 23 4.812 7.634 3.469 1.00 0.00 C ATOM 1195 CD2 TYR 2 23 5.408 6.296 1.579 1.00 0.00 C ATOM 1196 CE1 TYR 2 23 4.026 6.546 3.991 1.00 0.00 C ATOM 1197 CE2 TYR 2 23 4.622 5.208 2.101 1.00 0.00 C ATOM 1198 CZ TYR 2 23 3.968 5.387 3.281 1.00 0.00 C ATOM 1199 OH TYR 2 23 3.226 4.360 3.774 1.00 0.00 O ATOM 0 H TYR 2 23 5.115 10.760 1.644 1.00 0.00 H new ATOM 0 HA TYR 2 23 6.642 9.385 3.758 1.00 0.00 H new ATOM 0 HB2 TYR 2 23 5.809 9.067 0.857 1.00 0.00 H new ATOM 0 HB3 TYR 2 23 7.275 8.248 1.361 1.00 0.00 H new ATOM 0 HD1 TYR 2 23 4.874 8.565 4.012 1.00 0.00 H new ATOM 0 HD2 TYR 2 23 5.936 6.181 0.644 1.00 0.00 H new ATOM 0 HE1 TYR 2 23 3.494 6.648 4.926 1.00 0.00 H new ATOM 0 HE2 TYR 2 23 4.553 4.271 1.568 1.00 0.00 H new ATOM 0 HH TYR 2 23 3.588 3.509 3.449 1.00 0.00 H new ATOM 1209 N PRO 2 24 9.001 9.908 3.111 1.00 0.00 N ATOM 1210 CA PRO 2 24 10.342 10.429 2.908 1.00 0.00 C ATOM 1211 C PRO 2 24 10.935 9.919 1.592 1.00 0.00 C ATOM 1212 O PRO 2 24 12.041 10.303 1.216 1.00 0.00 O ATOM 1213 CB PRO 2 24 11.129 9.977 4.128 1.00 0.00 C ATOM 1214 CG PRO 2 24 10.332 8.835 4.737 1.00 0.00 C ATOM 1215 CD PRO 2 24 8.946 8.847 4.113 1.00 0.00 C ATOM 0 HA PRO 2 24 10.362 11.515 2.817 1.00 0.00 H new ATOM 0 HB2 PRO 2 24 12.130 9.649 3.848 1.00 0.00 H new ATOM 0 HB3 PRO 2 24 11.249 10.793 4.840 1.00 0.00 H new ATOM 0 HG2 PRO 2 24 10.827 7.882 4.549 1.00 0.00 H new ATOM 0 HG3 PRO 2 24 10.264 8.951 5.819 1.00 0.00 H new ATOM 0 HD2 PRO 2 24 8.708 7.885 3.659 1.00 0.00 H new ATOM 0 HD3 PRO 2 24 8.177 9.046 4.859 1.00 0.00 H new ATOM 1223 N HIS 2 25 10.171 9.064 0.928 1.00 0.00 N ATOM 1224 CA HIS 2 25 10.606 8.499 -0.337 1.00 0.00 C ATOM 1225 C HIS 2 25 9.566 8.798 -1.418 1.00 0.00 C ATOM 1226 O HIS 2 25 9.603 8.214 -2.499 1.00 0.00 O ATOM 1227 CB HIS 2 25 10.897 7.003 -0.193 1.00 0.00 C ATOM 1228 CG HIS 2 25 12.164 6.554 -0.881 1.00 0.00 C ATOM 1229 ND1 HIS 2 25 13.043 5.649 -0.315 1.00 0.00 N ATOM 1230 CD2 HIS 2 25 12.689 6.897 -2.092 1.00 0.00 C ATOM 1231 CE1 HIS 2 25 14.050 5.461 -1.157 1.00 0.00 C ATOM 1232 NE2 HIS 2 25 13.828 6.236 -2.257 1.00 0.00 N ATOM 0 H HIS 2 25 9.253 8.749 1.243 1.00 0.00 H new ATOM 0 HA HIS 2 25 11.543 8.965 -0.644 1.00 0.00 H new ATOM 0 HB2 HIS 2 25 10.965 6.757 0.867 1.00 0.00 H new ATOM 0 HB3 HIS 2 25 10.057 6.439 -0.598 1.00 0.00 H new ATOM 0 HD2 HIS 2 25 12.252 7.589 -2.797 1.00 0.00 H new ATOM 0 HE1 HIS 2 25 14.897 4.809 -0.999 1.00 0.00 H new ATOM 0 HE2 HIS 2 25 14.437 6.298 -3.073 1.00 0.00 H new ATOM 1241 N VAL 2 26 8.661 9.710 -1.087 1.00 0.00 N ATOM 1242 CA VAL 2 26 7.614 10.094 -2.017 1.00 0.00 C ATOM 1243 C VAL 2 26 8.215 10.277 -3.412 1.00 0.00 C ATOM 1244 O VAL 2 26 9.130 11.078 -3.596 1.00 0.00 O ATOM 1245 CB VAL 2 26 6.895 11.346 -1.507 1.00 0.00 C ATOM 1246 CG1 VAL 2 26 7.898 12.383 -0.999 1.00 0.00 C ATOM 1247 CG2 VAL 2 26 5.993 11.940 -2.589 1.00 0.00 C ATOM 0 H VAL 2 26 8.633 10.192 -0.189 1.00 0.00 H new ATOM 0 HA VAL 2 26 6.862 9.308 -2.089 1.00 0.00 H new ATOM 0 HB VAL 2 26 6.262 11.052 -0.669 1.00 0.00 H new ATOM 0 HG11 VAL 2 26 7.363 13.263 -0.642 1.00 0.00 H new ATOM 0 HG12 VAL 2 26 8.480 11.956 -0.182 1.00 0.00 H new ATOM 0 HG13 VAL 2 26 8.567 12.670 -1.810 1.00 0.00 H new ATOM 0 HG21 VAL 2 26 5.495 12.828 -2.200 1.00 0.00 H new ATOM 0 HG22 VAL 2 26 6.595 12.212 -3.456 1.00 0.00 H new ATOM 0 HG23 VAL 2 26 5.245 11.204 -2.884 1.00 0.00 H new ATOM 1257 N THR 2 27 7.677 9.521 -4.357 1.00 0.00 N ATOM 1258 CA THR 2 27 8.150 9.589 -5.729 1.00 0.00 C ATOM 1259 C THR 2 27 7.160 8.899 -6.669 1.00 0.00 C ATOM 1260 O THR 2 27 6.420 8.009 -6.252 1.00 0.00 O ATOM 1261 CB THR 2 27 9.555 8.985 -5.777 1.00 0.00 C ATOM 1262 OG1 THR 2 27 10.388 10.075 -6.165 1.00 0.00 O ATOM 1263 CG2 THR 2 27 9.718 7.969 -6.908 1.00 0.00 C ATOM 0 H THR 2 27 6.918 8.858 -4.200 1.00 0.00 H new ATOM 0 HA THR 2 27 8.213 10.621 -6.074 1.00 0.00 H new ATOM 0 HB THR 2 27 9.776 8.504 -4.824 1.00 0.00 H new ATOM 0 HG1 THR 2 27 10.307 10.799 -5.509 1.00 0.00 H new ATOM 0 HG21 THR 2 27 10.733 7.572 -6.897 1.00 0.00 H new ATOM 0 HG22 THR 2 27 9.007 7.154 -6.770 1.00 0.00 H new ATOM 0 HG23 THR 2 27 9.530 8.456 -7.865 1.00 0.00 H new ATOM 1271 N PRO 2 28 7.179 9.346 -7.954 1.00 0.00 N ATOM 1272 CA PRO 2 28 6.292 8.780 -8.956 1.00 0.00 C ATOM 1273 C PRO 2 28 6.773 7.395 -9.395 1.00 0.00 C ATOM 1274 O PRO 2 28 6.867 7.117 -10.588 1.00 0.00 O ATOM 1275 CB PRO 2 28 6.284 9.792 -10.090 1.00 0.00 C ATOM 1276 CG PRO 2 28 7.518 10.657 -9.886 1.00 0.00 C ATOM 1277 CD PRO 2 28 8.041 10.398 -8.483 1.00 0.00 C ATOM 0 HA PRO 2 28 5.283 8.615 -8.579 1.00 0.00 H new ATOM 0 HB2 PRO 2 28 6.313 9.293 -11.059 1.00 0.00 H new ATOM 0 HB3 PRO 2 28 5.376 10.395 -10.069 1.00 0.00 H new ATOM 0 HG2 PRO 2 28 8.280 10.417 -10.628 1.00 0.00 H new ATOM 0 HG3 PRO 2 28 7.271 11.711 -10.013 1.00 0.00 H new ATOM 0 HD2 PRO 2 28 9.084 10.083 -8.501 1.00 0.00 H new ATOM 0 HD3 PRO 2 28 7.990 11.297 -7.869 1.00 0.00 H new ATOM 1285 N LYS 2 29 7.063 6.564 -8.405 1.00 0.00 N ATOM 1286 CA LYS 2 29 7.532 5.215 -8.674 1.00 0.00 C ATOM 1287 C LYS 2 29 7.765 4.488 -7.347 1.00 0.00 C ATOM 1288 O LYS 2 29 7.836 3.260 -7.314 1.00 0.00 O ATOM 1289 CB LYS 2 29 8.763 5.246 -9.582 1.00 0.00 C ATOM 1290 CG LYS 2 29 8.821 4.001 -10.469 1.00 0.00 C ATOM 1291 CD LYS 2 29 9.304 4.353 -11.878 1.00 0.00 C ATOM 1292 CE LYS 2 29 8.653 3.446 -12.923 1.00 0.00 C ATOM 1293 NZ LYS 2 29 7.341 3.991 -13.339 1.00 0.00 N ATOM 0 H LYS 2 29 6.982 6.798 -7.416 1.00 0.00 H new ATOM 0 HA LYS 2 29 6.776 4.651 -9.220 1.00 0.00 H new ATOM 0 HB2 LYS 2 29 8.737 6.140 -10.205 1.00 0.00 H new ATOM 0 HB3 LYS 2 29 9.666 5.307 -8.975 1.00 0.00 H new ATOM 0 HG2 LYS 2 29 9.491 3.265 -10.025 1.00 0.00 H new ATOM 0 HG3 LYS 2 29 7.834 3.542 -10.523 1.00 0.00 H new ATOM 0 HD2 LYS 2 29 9.068 5.394 -12.098 1.00 0.00 H new ATOM 0 HD3 LYS 2 29 10.388 4.254 -11.930 1.00 0.00 H new ATOM 0 HE2 LYS 2 29 9.306 3.354 -13.791 1.00 0.00 H new ATOM 0 HE3 LYS 2 29 8.524 2.444 -12.513 1.00 0.00 H new ATOM 0 HZ1 LYS 2 29 6.913 3.363 -14.049 1.00 0.00 H new ATOM 0 HZ2 LYS 2 29 6.714 4.056 -12.512 1.00 0.00 H new ATOM 0 HZ3 LYS 2 29 7.473 4.938 -13.749 1.00 0.00 H new ATOM 1307 N GLU 2 30 7.877 5.275 -6.288 1.00 0.00 N ATOM 1308 CA GLU 2 30 8.100 4.721 -4.964 1.00 0.00 C ATOM 1309 C GLU 2 30 6.784 4.658 -4.186 1.00 0.00 C ATOM 1310 O GLU 2 30 6.483 3.651 -3.548 1.00 0.00 O ATOM 1311 CB GLU 2 30 9.150 5.531 -4.201 1.00 0.00 C ATOM 1312 CG GLU 2 30 10.510 4.828 -4.228 1.00 0.00 C ATOM 1313 CD GLU 2 30 11.315 5.238 -5.462 1.00 0.00 C ATOM 1314 OE1 GLU 2 30 11.879 6.353 -5.426 1.00 0.00 O ATOM 1315 OE2 GLU 2 30 11.348 4.427 -6.413 1.00 0.00 O ATOM 0 H GLU 2 30 7.817 6.293 -6.320 1.00 0.00 H new ATOM 0 HA GLU 2 30 8.482 3.706 -5.076 1.00 0.00 H new ATOM 0 HB2 GLU 2 30 9.241 6.523 -4.643 1.00 0.00 H new ATOM 0 HB3 GLU 2 30 8.828 5.670 -3.169 1.00 0.00 H new ATOM 0 HG2 GLU 2 30 11.069 5.076 -3.326 1.00 0.00 H new ATOM 0 HG3 GLU 2 30 10.365 3.748 -4.227 1.00 0.00 H new ATOM 1322 N CYS 2 31 6.035 5.749 -4.265 1.00 0.00 N ATOM 1323 CA CYS 2 31 4.758 5.831 -3.576 1.00 0.00 C ATOM 1324 C CYS 2 31 3.899 4.643 -4.013 1.00 0.00 C ATOM 1325 O CYS 2 31 3.446 3.859 -3.181 1.00 0.00 O ATOM 1326 CB CYS 2 31 4.060 7.167 -3.836 1.00 0.00 C ATOM 1327 SG CYS 2 31 4.783 8.597 -2.951 1.00 0.00 S ATOM 0 H CYS 2 31 6.288 6.583 -4.795 1.00 0.00 H new ATOM 0 HA CYS 2 31 4.919 5.784 -2.499 1.00 0.00 H new ATOM 0 HB2 CYS 2 31 4.084 7.371 -4.907 1.00 0.00 H new ATOM 0 HB3 CYS 2 31 3.012 7.074 -3.552 1.00 0.00 H new ATOM 1332 N ASN 2 32 3.699 4.547 -5.320 1.00 0.00 N ATOM 1333 CA ASN 2 32 2.903 3.468 -5.878 1.00 0.00 C ATOM 1334 C ASN 2 32 3.545 2.127 -5.519 1.00 0.00 C ATOM 1335 O ASN 2 32 2.920 1.078 -5.660 1.00 0.00 O ATOM 1336 CB ASN 2 32 2.835 3.567 -7.404 1.00 0.00 C ATOM 1337 CG ASN 2 32 1.558 4.282 -7.851 1.00 0.00 C ATOM 1338 OD1 ASN 2 32 1.277 5.375 -7.147 1.00 0.00 O flip ATOM 1339 ND2 ASN 2 32 0.875 3.869 -8.773 1.00 0.00 N flip ATOM 0 H ASN 2 32 4.075 5.199 -6.008 1.00 0.00 H new ATOM 0 HA ASN 2 32 1.897 3.543 -5.466 1.00 0.00 H new ATOM 0 HB2 ASN 2 32 3.707 4.105 -7.776 1.00 0.00 H new ATOM 0 HB3 ASN 2 32 2.868 2.568 -7.839 1.00 0.00 H new ATOM 0 HD21 ASN 2 32 1.149 3.022 -9.271 1.00 0.00 H new ATOM 0 HD22 ASN 2 32 0.030 4.370 -9.046 1.00 0.00 H new ATOM 1346 N ASN 2 33 4.786 2.205 -5.061 1.00 0.00 N ATOM 1347 CA ASN 2 33 5.520 1.011 -4.679 1.00 0.00 C ATOM 1348 C ASN 2 33 5.304 0.738 -3.190 1.00 0.00 C ATOM 1349 O ASN 2 33 5.316 -0.413 -2.757 1.00 0.00 O ATOM 1350 CB ASN 2 33 7.021 1.187 -4.917 1.00 0.00 C ATOM 1351 CG ASN 2 33 7.695 -0.159 -5.191 1.00 0.00 C ATOM 1352 OD1 ASN 2 33 7.050 -1.174 -5.397 1.00 0.00 O ATOM 1353 ND2 ASN 2 33 9.023 -0.111 -5.183 1.00 0.00 N ATOM 0 H ASN 2 33 5.302 3.077 -4.946 1.00 0.00 H new ATOM 0 HA ASN 2 33 5.154 0.182 -5.286 1.00 0.00 H new ATOM 0 HB2 ASN 2 33 7.183 1.857 -5.761 1.00 0.00 H new ATOM 0 HB3 ASN 2 33 7.478 1.656 -4.046 1.00 0.00 H new ATOM 0 HD21 ASN 2 33 9.565 -0.958 -5.356 1.00 0.00 H new ATOM 0 HD22 ASN 2 33 9.500 0.772 -5.004 1.00 0.00 H new ATOM 1360 N ARG 2 34 5.114 1.818 -2.445 1.00 0.00 N ATOM 1361 CA ARG 2 34 4.897 1.710 -1.013 1.00 0.00 C ATOM 1362 C ARG 2 34 3.418 1.448 -0.718 1.00 0.00 C ATOM 1363 O ARG 2 34 3.081 0.860 0.308 1.00 0.00 O ATOM 1364 CB ARG 2 34 5.335 2.985 -0.292 1.00 0.00 C ATOM 1365 CG ARG 2 34 6.592 3.576 -0.935 1.00 0.00 C ATOM 1366 CD ARG 2 34 7.629 3.946 0.125 1.00 0.00 C ATOM 1367 NE ARG 2 34 8.954 3.405 -0.251 1.00 0.00 N ATOM 1368 CZ ARG 2 34 10.107 3.773 0.324 1.00 0.00 C ATOM 1369 NH1 ARG 2 34 10.105 4.686 1.305 1.00 0.00 N ATOM 1370 NH2 ARG 2 34 11.262 3.229 -0.083 1.00 0.00 N ATOM 0 H ARG 2 34 5.106 2.772 -2.807 1.00 0.00 H new ATOM 0 HA ARG 2 34 5.497 0.876 -0.649 1.00 0.00 H new ATOM 0 HB2 ARG 2 34 4.529 3.718 -0.321 1.00 0.00 H new ATOM 0 HB3 ARG 2 34 5.529 2.765 0.758 1.00 0.00 H new ATOM 0 HG2 ARG 2 34 7.021 2.856 -1.632 1.00 0.00 H new ATOM 0 HG3 ARG 2 34 6.327 4.461 -1.514 1.00 0.00 H new ATOM 0 HD2 ARG 2 34 7.685 5.030 0.227 1.00 0.00 H new ATOM 0 HD3 ARG 2 34 7.327 3.550 1.094 1.00 0.00 H new ATOM 0 HE ARG 2 34 8.992 2.708 -0.995 1.00 0.00 H new ATOM 0 HH11 ARG 2 34 9.226 5.101 1.614 1.00 0.00 H new ATOM 0 HH12 ARG 2 34 10.983 4.966 1.743 1.00 0.00 H new ATOM 0 HH21 ARG 2 34 11.263 2.535 -0.830 1.00 0.00 H new ATOM 0 HH22 ARG 2 34 12.140 3.509 0.355 1.00 0.00 H new ATOM 1384 N GLY 2 35 2.576 1.899 -1.636 1.00 0.00 N ATOM 1385 CA GLY 2 35 1.142 1.720 -1.488 1.00 0.00 C ATOM 1386 C GLY 2 35 0.422 3.070 -1.460 1.00 0.00 C ATOM 1387 O GLY 2 35 -0.698 3.169 -0.962 1.00 0.00 O ATOM 0 H GLY 2 35 2.860 2.388 -2.485 1.00 0.00 H new ATOM 0 HA2 GLY 2 35 0.760 1.117 -2.312 1.00 0.00 H new ATOM 0 HA3 GLY 2 35 0.933 1.173 -0.569 1.00 0.00 H new ATOM 1391 N CYS 2 36 1.095 4.076 -2.000 1.00 0.00 N ATOM 1392 CA CYS 2 36 0.533 5.414 -2.043 1.00 0.00 C ATOM 1393 C CYS 2 36 0.289 5.787 -3.507 1.00 0.00 C ATOM 1394 O CYS 2 36 0.653 5.036 -4.410 1.00 0.00 O ATOM 1395 CB CYS 2 36 1.436 6.429 -1.339 1.00 0.00 C ATOM 1396 SG CYS 2 36 1.623 6.170 0.463 1.00 0.00 S ATOM 0 H CYS 2 36 2.024 3.990 -2.411 1.00 0.00 H new ATOM 0 HA CYS 2 36 -0.413 5.431 -1.503 1.00 0.00 H new ATOM 0 HB2 CYS 2 36 2.423 6.398 -1.801 1.00 0.00 H new ATOM 0 HB3 CYS 2 36 1.036 7.429 -1.509 1.00 0.00 H new ATOM 1401 N CYS 2 37 -0.323 6.946 -3.696 1.00 0.00 N ATOM 1402 CA CYS 2 37 -0.619 7.428 -5.034 1.00 0.00 C ATOM 1403 C CYS 2 37 0.066 8.782 -5.220 1.00 0.00 C ATOM 1404 O CYS 2 37 -0.131 9.697 -4.422 1.00 0.00 O ATOM 1405 CB CYS 2 37 -2.126 7.512 -5.284 1.00 0.00 C ATOM 1406 SG CYS 2 37 -2.617 7.439 -7.046 1.00 0.00 S ATOM 0 H CYS 2 37 -0.622 7.566 -2.944 1.00 0.00 H new ATOM 0 HA CYS 2 37 -0.233 6.723 -5.770 1.00 0.00 H new ATOM 0 HB2 CYS 2 37 -2.615 6.696 -4.751 1.00 0.00 H new ATOM 0 HB3 CYS 2 37 -2.500 8.442 -4.855 1.00 0.00 H new ATOM 1411 N PHE 2 38 0.859 8.868 -6.278 1.00 0.00 N ATOM 1412 CA PHE 2 38 1.574 10.096 -6.580 1.00 0.00 C ATOM 1413 C PHE 2 38 0.754 10.997 -7.505 1.00 0.00 C ATOM 1414 O PHE 2 38 0.387 10.592 -8.607 1.00 0.00 O ATOM 1415 CB PHE 2 38 2.868 9.697 -7.293 1.00 0.00 C ATOM 1416 CG PHE 2 38 3.869 10.842 -7.454 1.00 0.00 C ATOM 1417 CD1 PHE 2 38 4.711 11.158 -6.433 1.00 0.00 C ATOM 1418 CD2 PHE 2 38 3.917 11.544 -8.618 1.00 0.00 C ATOM 1419 CE1 PHE 2 38 5.640 12.221 -6.583 1.00 0.00 C ATOM 1420 CE2 PHE 2 38 4.848 12.608 -8.766 1.00 0.00 C ATOM 1421 CZ PHE 2 38 5.688 12.923 -7.746 1.00 0.00 C ATOM 0 H PHE 2 38 1.022 8.107 -6.937 1.00 0.00 H new ATOM 0 HA PHE 2 38 1.769 10.647 -5.660 1.00 0.00 H new ATOM 0 HB2 PHE 2 38 3.343 8.889 -6.737 1.00 0.00 H new ATOM 0 HB3 PHE 2 38 2.621 9.303 -8.279 1.00 0.00 H new ATOM 0 HD1 PHE 2 38 4.673 10.600 -5.509 1.00 0.00 H new ATOM 0 HD2 PHE 2 38 3.249 11.293 -9.429 1.00 0.00 H new ATOM 0 HE1 PHE 2 38 6.309 12.472 -5.773 1.00 0.00 H new ATOM 0 HE2 PHE 2 38 4.887 13.166 -9.690 1.00 0.00 H new ATOM 0 HZ PHE 2 38 6.395 13.732 -7.859 1.00 0.00 H new ATOM 1431 N ASP 2 39 0.489 12.202 -7.022 1.00 0.00 N ATOM 1432 CA ASP 2 39 -0.283 13.163 -7.792 1.00 0.00 C ATOM 1433 C ASP 2 39 0.651 13.915 -8.742 1.00 0.00 C ATOM 1434 O ASP 2 39 0.761 13.565 -9.916 1.00 0.00 O ATOM 1435 CB ASP 2 39 -0.953 14.191 -6.877 1.00 0.00 C ATOM 1436 CG ASP 2 39 -1.047 15.605 -7.453 1.00 0.00 C ATOM 1437 OD1 ASP 2 39 -1.865 15.787 -8.380 1.00 0.00 O ATOM 1438 OD2 ASP 2 39 -0.299 16.473 -6.952 1.00 0.00 O ATOM 0 H ASP 2 39 0.795 12.535 -6.108 1.00 0.00 H new ATOM 0 HA ASP 2 39 -1.049 12.617 -8.343 1.00 0.00 H new ATOM 0 HB2 ASP 2 39 -1.959 13.844 -6.640 1.00 0.00 H new ATOM 0 HB3 ASP 2 39 -0.401 14.233 -5.938 1.00 0.00 H new ATOM 1443 N SER 2 40 1.299 14.935 -8.200 1.00 0.00 N ATOM 1444 CA SER 2 40 2.220 15.739 -8.986 1.00 0.00 C ATOM 1445 C SER 2 40 1.455 16.842 -9.721 1.00 0.00 C ATOM 1446 O SER 2 40 2.028 17.874 -10.069 1.00 0.00 O ATOM 1447 CB SER 2 40 2.995 14.875 -9.982 1.00 0.00 C ATOM 1448 OG SER 2 40 4.333 15.332 -10.160 1.00 0.00 O ATOM 0 H SER 2 40 1.205 15.224 -7.226 1.00 0.00 H new ATOM 0 HA SER 2 40 2.940 16.196 -8.307 1.00 0.00 H new ATOM 0 HB2 SER 2 40 3.008 13.843 -9.632 1.00 0.00 H new ATOM 0 HB3 SER 2 40 2.480 14.879 -10.943 1.00 0.00 H new ATOM 0 HG SER 2 40 4.743 14.858 -10.913 1.00 0.00 H new ATOM 1454 N ARG 2 41 0.174 16.587 -9.936 1.00 0.00 N ATOM 1455 CA ARG 2 41 -0.676 17.545 -10.623 1.00 0.00 C ATOM 1456 C ARG 2 41 -0.783 18.837 -9.811 1.00 0.00 C ATOM 1457 O ARG 2 41 -0.732 19.931 -10.371 1.00 0.00 O ATOM 1458 CB ARG 2 41 -2.076 16.975 -10.850 1.00 0.00 C ATOM 1459 CG ARG 2 41 -2.011 15.500 -11.252 1.00 0.00 C ATOM 1460 CD ARG 2 41 -3.103 15.158 -12.267 1.00 0.00 C ATOM 1461 NE ARG 2 41 -2.904 15.942 -13.507 1.00 0.00 N ATOM 1462 CZ ARG 2 41 -3.872 16.201 -14.396 1.00 0.00 C ATOM 1463 NH1 ARG 2 41 -5.113 15.739 -14.188 1.00 0.00 N ATOM 1464 NH2 ARG 2 41 -3.600 16.920 -15.493 1.00 0.00 N ATOM 0 H ARG 2 41 -0.297 15.730 -9.647 1.00 0.00 H new ATOM 0 HA ARG 2 41 -0.222 17.757 -11.591 1.00 0.00 H new ATOM 0 HB2 ARG 2 41 -2.667 17.082 -9.941 1.00 0.00 H new ATOM 0 HB3 ARG 2 41 -2.583 17.545 -11.628 1.00 0.00 H new ATOM 0 HG2 ARG 2 41 -1.032 15.279 -11.678 1.00 0.00 H new ATOM 0 HG3 ARG 2 41 -2.123 14.873 -10.367 1.00 0.00 H new ATOM 0 HD2 ARG 2 41 -3.080 14.092 -12.493 1.00 0.00 H new ATOM 0 HD3 ARG 2 41 -4.084 15.373 -11.844 1.00 0.00 H new ATOM 0 HE ARG 2 41 -1.971 16.308 -13.696 1.00 0.00 H new ATOM 0 HH11 ARG 2 41 -5.320 15.191 -13.353 1.00 0.00 H new ATOM 0 HH12 ARG 2 41 -5.851 15.936 -14.865 1.00 0.00 H new ATOM 0 HH21 ARG 2 41 -2.655 17.271 -15.652 1.00 0.00 H new ATOM 0 HH22 ARG 2 41 -4.337 17.117 -16.170 1.00 0.00 H new ATOM 1478 N ILE 2 42 -0.930 18.668 -8.505 1.00 0.00 N ATOM 1479 CA ILE 2 42 -1.045 19.807 -7.611 1.00 0.00 C ATOM 1480 C ILE 2 42 0.072 19.745 -6.567 1.00 0.00 C ATOM 1481 O ILE 2 42 0.040 18.909 -5.667 1.00 0.00 O ATOM 1482 CB ILE 2 42 -2.449 19.873 -7.007 1.00 0.00 C ATOM 1483 CG1 ILE 2 42 -3.485 19.269 -7.957 1.00 0.00 C ATOM 1484 CG2 ILE 2 42 -2.806 21.306 -6.605 1.00 0.00 C ATOM 1485 CD1 ILE 2 42 -4.907 19.566 -7.478 1.00 0.00 C ATOM 0 H ILE 2 42 -0.972 17.759 -8.045 1.00 0.00 H new ATOM 0 HA ILE 2 42 -0.916 20.739 -8.161 1.00 0.00 H new ATOM 0 HB ILE 2 42 -2.458 19.272 -6.098 1.00 0.00 H new ATOM 0 HG12 ILE 2 42 -3.343 19.673 -8.959 1.00 0.00 H new ATOM 0 HG13 ILE 2 42 -3.338 18.191 -8.024 1.00 0.00 H new ATOM 0 HG21 ILE 2 42 -3.809 21.325 -6.178 1.00 0.00 H new ATOM 0 HG22 ILE 2 42 -2.090 21.665 -5.866 1.00 0.00 H new ATOM 0 HG23 ILE 2 42 -2.773 21.949 -7.484 1.00 0.00 H new ATOM 0 HD11 ILE 2 42 -5.624 19.126 -8.171 1.00 0.00 H new ATOM 0 HD12 ILE 2 42 -5.053 19.140 -6.485 1.00 0.00 H new ATOM 0 HD13 ILE 2 42 -5.059 20.645 -7.436 1.00 0.00 H new ATOM 1497 N PRO 2 43 1.060 20.667 -6.728 1.00 0.00 N ATOM 1498 CA PRO 2 43 2.185 20.725 -5.810 1.00 0.00 C ATOM 1499 C PRO 2 43 1.772 21.350 -4.476 1.00 0.00 C ATOM 1500 O PRO 2 43 2.575 21.425 -3.547 1.00 0.00 O ATOM 1501 CB PRO 2 43 3.247 21.532 -6.540 1.00 0.00 C ATOM 1502 CG PRO 2 43 2.515 22.286 -7.638 1.00 0.00 C ATOM 1503 CD PRO 2 43 1.131 21.673 -7.783 1.00 0.00 C ATOM 0 HA PRO 2 43 2.564 19.738 -5.547 1.00 0.00 H new ATOM 0 HB2 PRO 2 43 3.749 22.221 -5.861 1.00 0.00 H new ATOM 0 HB3 PRO 2 43 4.014 20.880 -6.958 1.00 0.00 H new ATOM 0 HG2 PRO 2 43 2.439 23.344 -7.389 1.00 0.00 H new ATOM 0 HG3 PRO 2 43 3.063 22.218 -8.578 1.00 0.00 H new ATOM 0 HD2 PRO 2 43 0.351 22.425 -7.667 1.00 0.00 H new ATOM 0 HD3 PRO 2 43 0.997 21.225 -8.768 1.00 0.00 H new ATOM 1511 N GLY 2 44 0.521 21.782 -4.423 1.00 0.00 N ATOM 1512 CA GLY 2 44 -0.008 22.398 -3.218 1.00 0.00 C ATOM 1513 C GLY 2 44 -0.662 21.354 -2.311 1.00 0.00 C ATOM 1514 O GLY 2 44 -1.046 21.659 -1.182 1.00 0.00 O ATOM 0 H GLY 2 44 -0.142 21.718 -5.195 1.00 0.00 H new ATOM 0 HA2 GLY 2 44 0.795 22.901 -2.680 1.00 0.00 H new ATOM 0 HA3 GLY 2 44 -0.739 23.161 -3.486 1.00 0.00 H new ATOM 1518 N VAL 2 45 -0.770 20.142 -2.838 1.00 0.00 N ATOM 1519 CA VAL 2 45 -1.371 19.052 -2.090 1.00 0.00 C ATOM 1520 C VAL 2 45 -0.357 17.914 -1.951 1.00 0.00 C ATOM 1521 O VAL 2 45 0.793 18.050 -2.365 1.00 0.00 O ATOM 1522 CB VAL 2 45 -2.674 18.612 -2.761 1.00 0.00 C ATOM 1523 CG1 VAL 2 45 -3.402 19.807 -3.381 1.00 0.00 C ATOM 1524 CG2 VAL 2 45 -2.413 17.527 -3.808 1.00 0.00 C ATOM 0 H VAL 2 45 -0.451 19.892 -3.774 1.00 0.00 H new ATOM 0 HA VAL 2 45 -1.633 19.379 -1.084 1.00 0.00 H new ATOM 0 HB VAL 2 45 -3.320 18.188 -1.992 1.00 0.00 H new ATOM 0 HG11 VAL 2 45 -4.325 19.467 -3.851 1.00 0.00 H new ATOM 0 HG12 VAL 2 45 -3.638 20.533 -2.603 1.00 0.00 H new ATOM 0 HG13 VAL 2 45 -2.763 20.273 -4.131 1.00 0.00 H new ATOM 0 HG21 VAL 2 45 -3.356 17.232 -4.269 1.00 0.00 H new ATOM 0 HG22 VAL 2 45 -1.740 17.914 -4.573 1.00 0.00 H new ATOM 0 HG23 VAL 2 45 -1.957 16.661 -3.328 1.00 0.00 H new ATOM 1534 N PRO 2 46 -0.832 16.791 -1.351 1.00 0.00 N ATOM 1535 CA PRO 2 46 0.020 15.631 -1.153 1.00 0.00 C ATOM 1536 C PRO 2 46 0.238 14.879 -2.467 1.00 0.00 C ATOM 1537 O PRO 2 46 -0.715 14.393 -3.074 1.00 0.00 O ATOM 1538 CB PRO 2 46 -0.692 14.795 -0.101 1.00 0.00 C ATOM 1539 CG PRO 2 46 -2.133 15.278 -0.090 1.00 0.00 C ATOM 1540 CD PRO 2 46 -2.189 16.595 -0.848 1.00 0.00 C ATOM 0 HA PRO 2 46 1.023 15.898 -0.819 1.00 0.00 H new ATOM 0 HB2 PRO 2 46 -0.638 13.734 -0.343 1.00 0.00 H new ATOM 0 HB3 PRO 2 46 -0.230 14.923 0.878 1.00 0.00 H new ATOM 0 HG2 PRO 2 46 -2.786 14.541 -0.557 1.00 0.00 H new ATOM 0 HG3 PRO 2 46 -2.483 15.411 0.934 1.00 0.00 H new ATOM 0 HD2 PRO 2 46 -2.911 16.552 -1.663 1.00 0.00 H new ATOM 0 HD3 PRO 2 46 -2.492 17.414 -0.196 1.00 0.00 H new ATOM 1548 N TRP 2 47 1.498 14.807 -2.868 1.00 0.00 N ATOM 1549 CA TRP 2 47 1.854 14.123 -4.100 1.00 0.00 C ATOM 1550 C TRP 2 47 2.150 12.661 -3.760 1.00 0.00 C ATOM 1551 O TRP 2 47 2.920 12.001 -4.457 1.00 0.00 O ATOM 1552 CB TRP 2 47 3.021 14.822 -4.799 1.00 0.00 C ATOM 1553 CG TRP 2 47 3.332 16.215 -4.248 1.00 0.00 C ATOM 1554 CD1 TRP 2 47 2.685 17.363 -4.493 1.00 0.00 C ATOM 1555 CD2 TRP 2 47 4.401 16.563 -3.342 1.00 0.00 C ATOM 1556 NE1 TRP 2 47 3.256 18.420 -3.815 1.00 0.00 N ATOM 1557 CE2 TRP 2 47 4.333 17.918 -3.093 1.00 0.00 C ATOM 1558 CE3 TRP 2 47 5.391 15.758 -2.753 1.00 0.00 C ATOM 1559 CZ2 TRP 2 47 5.227 18.589 -2.250 1.00 0.00 C ATOM 1560 CZ3 TRP 2 47 6.278 16.443 -1.913 1.00 0.00 C ATOM 1561 CH2 TRP 2 47 6.223 17.807 -1.652 1.00 0.00 C ATOM 0 H TRP 2 47 2.286 15.211 -2.362 1.00 0.00 H new ATOM 0 HA TRP 2 47 1.028 14.155 -4.811 1.00 0.00 H new ATOM 0 HB2 TRP 2 47 3.911 14.199 -4.708 1.00 0.00 H new ATOM 0 HB3 TRP 2 47 2.797 14.905 -5.863 1.00 0.00 H new ATOM 0 HD1 TRP 2 47 1.825 17.450 -5.140 1.00 0.00 H new ATOM 0 HE1 TRP 2 47 2.945 19.391 -3.839 1.00 0.00 H new ATOM 0 HE3 TRP 2 47 5.462 14.696 -2.934 1.00 0.00 H new ATOM 0 HZ2 TRP 2 47 5.153 19.651 -2.071 1.00 0.00 H new ATOM 0 HZ3 TRP 2 47 7.059 15.871 -1.435 1.00 0.00 H new ATOM 0 HH2 TRP 2 47 6.945 18.262 -0.991 1.00 0.00 H new ATOM 1572 N CYS 2 48 1.525 12.197 -2.687 1.00 0.00 N ATOM 1573 CA CYS 2 48 1.713 10.825 -2.246 1.00 0.00 C ATOM 1574 C CYS 2 48 0.715 10.542 -1.121 1.00 0.00 C ATOM 1575 O CYS 2 48 0.914 10.975 0.014 1.00 0.00 O ATOM 1576 CB CYS 2 48 3.155 10.564 -1.809 1.00 0.00 C ATOM 1577 SG CYS 2 48 3.547 8.810 -1.462 1.00 0.00 S ATOM 0 H CYS 2 48 0.888 12.747 -2.110 1.00 0.00 H new ATOM 0 HA CYS 2 48 1.526 10.144 -3.076 1.00 0.00 H new ATOM 0 HB2 CYS 2 48 3.827 10.924 -2.588 1.00 0.00 H new ATOM 0 HB3 CYS 2 48 3.361 11.151 -0.914 1.00 0.00 H new ATOM 1582 N PHE 2 49 -0.336 9.818 -1.474 1.00 0.00 N ATOM 1583 CA PHE 2 49 -1.365 9.472 -0.509 1.00 0.00 C ATOM 1584 C PHE 2 49 -1.794 8.012 -0.665 1.00 0.00 C ATOM 1585 O PHE 2 49 -1.138 7.239 -1.361 1.00 0.00 O ATOM 1586 CB PHE 2 49 -2.567 10.377 -0.791 1.00 0.00 C ATOM 1587 CG PHE 2 49 -2.632 10.894 -2.229 1.00 0.00 C ATOM 1588 CD1 PHE 2 49 -1.621 11.657 -2.725 1.00 0.00 C ATOM 1589 CD2 PHE 2 49 -3.701 10.590 -3.014 1.00 0.00 C ATOM 1590 CE1 PHE 2 49 -1.681 12.137 -4.060 1.00 0.00 C ATOM 1591 CE2 PHE 2 49 -3.761 11.070 -4.349 1.00 0.00 C ATOM 1592 CZ PHE 2 49 -2.750 11.833 -4.844 1.00 0.00 C ATOM 0 H PHE 2 49 -0.497 9.461 -2.416 1.00 0.00 H new ATOM 0 HA PHE 2 49 -0.984 9.605 0.504 1.00 0.00 H new ATOM 0 HB2 PHE 2 49 -3.482 9.827 -0.572 1.00 0.00 H new ATOM 0 HB3 PHE 2 49 -2.536 11.228 -0.111 1.00 0.00 H new ATOM 0 HD1 PHE 2 49 -0.772 11.898 -2.103 1.00 0.00 H new ATOM 0 HD2 PHE 2 49 -4.504 9.984 -2.622 1.00 0.00 H new ATOM 0 HE1 PHE 2 49 -0.878 12.743 -4.453 1.00 0.00 H new ATOM 0 HE2 PHE 2 49 -4.610 10.829 -4.972 1.00 0.00 H new ATOM 0 HZ PHE 2 49 -2.796 12.198 -5.860 1.00 0.00 H new ATOM 1602 N LYS 2 50 -2.895 7.678 -0.005 1.00 0.00 N ATOM 1603 CA LYS 2 50 -3.419 6.324 -0.062 1.00 0.00 C ATOM 1604 C LYS 2 50 -4.867 6.363 -0.556 1.00 0.00 C ATOM 1605 O LYS 2 50 -5.788 6.018 0.183 1.00 0.00 O ATOM 1606 CB LYS 2 50 -3.249 5.627 1.289 1.00 0.00 C ATOM 1607 CG LYS 2 50 -2.896 6.634 2.386 1.00 0.00 C ATOM 1608 CD LYS 2 50 -1.388 6.895 2.424 1.00 0.00 C ATOM 1609 CE LYS 2 50 -0.606 5.583 2.499 1.00 0.00 C ATOM 1610 NZ LYS 2 50 -1.288 4.623 3.396 1.00 0.00 N ATOM 0 H LYS 2 50 -3.437 8.322 0.571 1.00 0.00 H new ATOM 0 HA LYS 2 50 -2.854 5.726 -0.777 1.00 0.00 H new ATOM 0 HB2 LYS 2 50 -4.170 5.106 1.552 1.00 0.00 H new ATOM 0 HB3 LYS 2 50 -2.465 4.873 1.217 1.00 0.00 H new ATOM 0 HG2 LYS 2 50 -3.427 7.570 2.210 1.00 0.00 H new ATOM 0 HG3 LYS 2 50 -3.228 6.256 3.353 1.00 0.00 H new ATOM 0 HD2 LYS 2 50 -1.089 7.450 1.535 1.00 0.00 H new ATOM 0 HD3 LYS 2 50 -1.145 7.517 3.285 1.00 0.00 H new ATOM 0 HE2 LYS 2 50 -0.510 5.153 1.502 1.00 0.00 H new ATOM 0 HE3 LYS 2 50 0.404 5.775 2.862 1.00 0.00 H new ATOM 0 HZ1 LYS 2 50 -0.600 3.926 3.746 1.00 0.00 H new ATOM 0 HZ2 LYS 2 50 -1.703 5.135 4.201 1.00 0.00 H new ATOM 0 HZ3 LYS 2 50 -2.041 4.133 2.872 1.00 0.00 H new ATOM 1624 N PRO 2 51 -5.027 6.797 -1.834 1.00 0.00 N ATOM 1625 CA PRO 2 51 -6.346 6.886 -2.436 1.00 0.00 C ATOM 1626 C PRO 2 51 -6.875 5.499 -2.804 1.00 0.00 C ATOM 1627 O PRO 2 51 -7.437 4.800 -1.962 1.00 0.00 O ATOM 1628 CB PRO 2 51 -6.169 7.795 -3.642 1.00 0.00 C ATOM 1629 CG PRO 2 51 -4.679 7.805 -3.940 1.00 0.00 C ATOM 1630 CD PRO 2 51 -3.958 7.215 -2.739 1.00 0.00 C ATOM 0 HA PRO 2 51 -7.093 7.294 -1.754 1.00 0.00 H new ATOM 0 HB2 PRO 2 51 -6.736 7.425 -4.496 1.00 0.00 H new ATOM 0 HB3 PRO 2 51 -6.532 8.801 -3.430 1.00 0.00 H new ATOM 0 HG2 PRO 2 51 -4.465 7.223 -4.837 1.00 0.00 H new ATOM 0 HG3 PRO 2 51 -4.335 8.822 -4.130 1.00 0.00 H new ATOM 0 HD2 PRO 2 51 -3.331 6.371 -3.028 1.00 0.00 H new ATOM 0 HD3 PRO 2 51 -3.305 7.950 -2.268 1.00 0.00 H new ATOM 1638 N LEU 2 52 -6.675 5.140 -4.065 1.00 0.00 N ATOM 1639 CA LEU 2 52 -7.125 3.849 -4.555 1.00 0.00 C ATOM 1640 C LEU 2 52 -5.918 2.924 -4.727 1.00 0.00 C ATOM 1641 O LEU 2 52 -5.930 2.033 -5.574 1.00 0.00 O ATOM 1642 CB LEU 2 52 -7.956 4.019 -5.829 1.00 0.00 C ATOM 1643 CG LEU 2 52 -7.191 3.905 -7.149 1.00 0.00 C ATOM 1644 CD1 LEU 2 52 -5.755 4.411 -6.996 1.00 0.00 C ATOM 1645 CD2 LEU 2 52 -7.240 2.475 -7.689 1.00 0.00 C ATOM 0 H LEU 2 52 -6.208 5.721 -4.761 1.00 0.00 H new ATOM 0 HA LEU 2 52 -7.788 3.377 -3.830 1.00 0.00 H new ATOM 0 HB2 LEU 2 52 -8.748 3.270 -5.825 1.00 0.00 H new ATOM 0 HB3 LEU 2 52 -8.440 4.995 -5.796 1.00 0.00 H new ATOM 0 HG LEU 2 52 -7.681 4.544 -7.884 1.00 0.00 H new ATOM 0 HD11 LEU 2 52 -5.233 4.319 -7.949 1.00 0.00 H new ATOM 0 HD12 LEU 2 52 -5.768 5.457 -6.689 1.00 0.00 H new ATOM 0 HD13 LEU 2 52 -5.239 3.818 -6.241 1.00 0.00 H new ATOM 0 HD21 LEU 2 52 -6.689 2.422 -8.628 1.00 0.00 H new ATOM 0 HD22 LEU 2 52 -6.789 1.797 -6.964 1.00 0.00 H new ATOM 0 HD23 LEU 2 52 -8.277 2.186 -7.860 1.00 0.00 H new ATOM 1657 N GLN 2 53 -4.904 3.171 -3.911 1.00 0.00 N ATOM 1658 CA GLN 2 53 -3.691 2.371 -3.962 1.00 0.00 C ATOM 1659 C GLN 2 53 -4.038 0.883 -4.039 1.00 0.00 C ATOM 1660 O GLN 2 53 -3.203 0.067 -4.423 1.00 0.00 O ATOM 1661 CB GLN 2 53 -2.791 2.663 -2.760 1.00 0.00 C ATOM 1662 CG GLN 2 53 -3.577 3.351 -1.641 1.00 0.00 C ATOM 1663 CD GLN 2 53 -4.859 2.581 -1.318 1.00 0.00 C ATOM 1664 OE1 GLN 2 53 -4.696 1.262 -1.256 1.00 0.00 O flip ATOM 1665 NE2 GLN 2 53 -5.924 3.146 -1.137 1.00 0.00 N flip ATOM 0 H GLN 2 53 -4.897 3.913 -3.211 1.00 0.00 H new ATOM 0 HA GLN 2 53 -3.139 2.641 -4.862 1.00 0.00 H new ATOM 0 HB2 GLN 2 53 -2.361 1.733 -2.389 1.00 0.00 H new ATOM 0 HB3 GLN 2 53 -1.960 3.297 -3.069 1.00 0.00 H new ATOM 0 HG2 GLN 2 53 -2.957 3.423 -0.747 1.00 0.00 H new ATOM 0 HG3 GLN 2 53 -3.826 4.369 -1.939 1.00 0.00 H new ATOM 0 HE21 GLN 2 53 -5.979 4.163 -1.199 1.00 0.00 H new ATOM 0 HE22 GLN 2 53 -6.760 2.602 -0.923 1.00 0.00 H new ATOM 1674 N GLU 2 54 -5.272 0.577 -3.669 1.00 0.00 N ATOM 1675 CA GLU 2 54 -5.741 -0.799 -3.691 1.00 0.00 C ATOM 1676 C GLU 2 54 -5.264 -1.501 -4.964 1.00 0.00 C ATOM 1677 O GLU 2 54 -5.168 -2.726 -5.002 1.00 0.00 O ATOM 1678 CB GLU 2 54 -7.265 -0.861 -3.569 1.00 0.00 C ATOM 1679 CG GLU 2 54 -7.938 -0.367 -4.852 1.00 0.00 C ATOM 1680 CD GLU 2 54 -9.416 -0.762 -4.881 1.00 0.00 C ATOM 1681 OE1 GLU 2 54 -10.043 -0.693 -3.802 1.00 0.00 O ATOM 1682 OE2 GLU 2 54 -9.885 -1.123 -5.983 1.00 0.00 O ATOM 0 H GLU 2 54 -5.962 1.258 -3.352 1.00 0.00 H new ATOM 0 HA GLU 2 54 -5.319 -1.320 -2.832 1.00 0.00 H new ATOM 0 HB2 GLU 2 54 -7.576 -1.885 -3.362 1.00 0.00 H new ATOM 0 HB3 GLU 2 54 -7.591 -0.253 -2.725 1.00 0.00 H new ATOM 0 HG2 GLU 2 54 -7.846 0.717 -4.922 1.00 0.00 H new ATOM 0 HG3 GLU 2 54 -7.428 -0.787 -5.719 1.00 0.00 H new ATOM 1689 N ALA 2 55 -4.976 -0.694 -5.975 1.00 0.00 N ATOM 1690 CA ALA 2 55 -4.510 -1.223 -7.245 1.00 0.00 C ATOM 1691 C ALA 2 55 -3.740 -2.523 -7.001 1.00 0.00 C ATOM 1692 O ALA 2 55 -4.216 -3.604 -7.344 1.00 0.00 O ATOM 1693 CB ALA 2 55 -3.662 -0.168 -7.959 1.00 0.00 C ATOM 0 H ALA 2 55 -5.057 0.322 -5.940 1.00 0.00 H new ATOM 0 HA ALA 2 55 -5.353 -1.457 -7.895 1.00 0.00 H new ATOM 0 HB1 ALA 2 55 -3.313 -0.566 -8.912 1.00 0.00 H new ATOM 0 HB2 ALA 2 55 -4.264 0.723 -8.137 1.00 0.00 H new ATOM 0 HB3 ALA 2 55 -2.805 0.091 -7.338 1.00 0.00 H new ATOM 1699 N GLU 2 56 -2.564 -2.374 -6.410 1.00 0.00 N ATOM 1700 CA GLU 2 56 -1.723 -3.521 -6.115 1.00 0.00 C ATOM 1701 C GLU 2 56 -1.309 -3.511 -4.643 1.00 0.00 C ATOM 1702 O GLU 2 56 -0.451 -4.291 -4.230 1.00 0.00 O ATOM 1703 CB GLU 2 56 -0.497 -3.553 -7.031 1.00 0.00 C ATOM 1704 CG GLU 2 56 -0.561 -4.741 -7.991 1.00 0.00 C ATOM 1705 CD GLU 2 56 -0.167 -4.321 -9.409 1.00 0.00 C ATOM 1706 OE1 GLU 2 56 0.857 -3.614 -9.527 1.00 0.00 O ATOM 1707 OE2 GLU 2 56 -0.898 -4.716 -10.343 1.00 0.00 O ATOM 0 H GLU 2 56 -2.173 -1.475 -6.127 1.00 0.00 H new ATOM 0 HA GLU 2 56 -2.299 -4.427 -6.303 1.00 0.00 H new ATOM 0 HB2 GLU 2 56 -0.439 -2.625 -7.599 1.00 0.00 H new ATOM 0 HB3 GLU 2 56 0.410 -3.616 -6.429 1.00 0.00 H new ATOM 0 HG2 GLU 2 56 0.105 -5.531 -7.643 1.00 0.00 H new ATOM 0 HG3 GLU 2 56 -1.570 -5.154 -7.997 1.00 0.00 H new ATOM 1714 N CYS 2 57 -1.935 -2.619 -3.890 1.00 0.00 N ATOM 1715 CA CYS 2 57 -1.642 -2.497 -2.472 1.00 0.00 C ATOM 1716 C CYS 2 57 -2.549 -3.464 -1.708 1.00 0.00 C ATOM 1717 O CYS 2 57 -2.096 -4.510 -1.244 1.00 0.00 O ATOM 1718 CB CYS 2 57 -1.802 -1.056 -1.983 1.00 0.00 C ATOM 1719 SG CYS 2 57 -0.883 -0.659 -0.451 1.00 0.00 S ATOM 0 H CYS 2 57 -2.645 -1.973 -4.235 1.00 0.00 H new ATOM 0 HA CYS 2 57 -0.600 -2.759 -2.290 1.00 0.00 H new ATOM 0 HB2 CYS 2 57 -1.473 -0.381 -2.773 1.00 0.00 H new ATOM 0 HB3 CYS 2 57 -2.861 -0.859 -1.816 1.00 0.00 H new ATOM 1724 N THR 2 58 -3.813 -3.081 -1.604 1.00 0.00 N ATOM 1725 CA THR 2 58 -4.788 -3.902 -0.905 1.00 0.00 C ATOM 1726 C THR 2 58 -4.590 -5.377 -1.253 1.00 0.00 C ATOM 1727 O THR 2 58 -4.756 -6.249 -0.400 1.00 0.00 O ATOM 1728 CB THR 2 58 -6.182 -3.377 -1.250 1.00 0.00 C ATOM 1729 OG1 THR 2 58 -7.005 -3.849 -0.188 1.00 0.00 O ATOM 1730 CG2 THR 2 58 -6.765 -4.042 -2.498 1.00 0.00 C ATOM 0 H THR 2 58 -4.185 -2.214 -1.992 1.00 0.00 H new ATOM 0 HA THR 2 58 -4.659 -3.836 0.175 1.00 0.00 H new ATOM 0 HB THR 2 58 -6.136 -2.299 -1.401 1.00 0.00 H new ATOM 0 HG1 THR 2 58 -7.928 -3.552 -0.332 1.00 0.00 H new ATOM 0 HG21 THR 2 58 -7.755 -3.634 -2.699 1.00 0.00 H new ATOM 0 HG22 THR 2 58 -6.114 -3.850 -3.351 1.00 0.00 H new ATOM 0 HG23 THR 2 58 -6.842 -5.117 -2.335 1.00 0.00 H new ATOM 1738 N PHE 2 59 -4.238 -5.614 -2.509 1.00 0.00 N ATOM 1739 CA PHE 2 59 -4.017 -6.971 -2.981 1.00 0.00 C ATOM 1740 C PHE 2 59 -3.499 -7.866 -1.854 1.00 0.00 C ATOM 1741 O PHE 2 59 -2.322 -7.806 -1.499 1.00 0.00 O ATOM 1742 CB PHE 2 59 -2.957 -6.893 -4.081 1.00 0.00 C ATOM 1743 CG PHE 2 59 -3.208 -7.843 -5.256 1.00 0.00 C ATOM 1744 CD1 PHE 2 59 -3.493 -9.152 -5.022 1.00 0.00 C ATOM 1745 CD2 PHE 2 59 -3.148 -7.377 -6.531 1.00 0.00 C ATOM 1746 CE1 PHE 2 59 -3.727 -10.033 -6.110 1.00 0.00 C ATOM 1747 CE2 PHE 2 59 -3.380 -8.258 -7.621 1.00 0.00 C ATOM 1748 CZ PHE 2 59 -3.666 -9.567 -7.387 1.00 0.00 C ATOM 0 H PHE 2 59 -4.101 -4.890 -3.214 1.00 0.00 H new ATOM 0 HA PHE 2 59 -4.952 -7.396 -3.345 1.00 0.00 H new ATOM 0 HB2 PHE 2 59 -2.912 -5.871 -4.457 1.00 0.00 H new ATOM 0 HB3 PHE 2 59 -1.982 -7.116 -3.648 1.00 0.00 H new ATOM 0 HD1 PHE 2 59 -3.541 -9.521 -4.008 1.00 0.00 H new ATOM 0 HD2 PHE 2 59 -2.924 -6.337 -6.716 1.00 0.00 H new ATOM 0 HE1 PHE 2 59 -3.953 -11.073 -5.924 1.00 0.00 H new ATOM 0 HE2 PHE 2 59 -3.329 -7.889 -8.635 1.00 0.00 H new ATOM 0 HZ PHE 2 59 -3.845 -10.237 -8.215 1.00 0.00 H new TER 1758 PHE 2 59