USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 610 hydrogens (32 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 NoAdj-H: A 15 HIS HE2 : A 15 HIS NE2 : A 90 HECFE :(H bumps) USER MOD NoAdj-H: A 90 HEC HAC : A 90 HEC CAC : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 90 HEC HAB : A 90 HEC CAB : A 11 CYS SG :(H bumps) USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -3 ALA N :NH3+ -141:sc= 0.147 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -35:sc= 0.579 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 137:sc= 1.28 (180deg=0.888) USER MOD Single : A 25 SER OG : rot 180:sc= 0.285 USER MOD Single : A 26 HIS : no HD1:sc= -0.139 X(o=-0.14,f=-0.14) USER MOD Single : A 27 ASN : amide:sc= -0.217 K(o=-0.22,f=-1.8!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN :FLIP amide:sc= -0.154 F(o=-2.9!,f=-0.15) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 ASN :FLIP amide:sc= 0.141 F(o=-2!,f=0.14) USER MOD Single : A 53 MET CE :methyl 175:sc= -1.07 (180deg=-1.2) USER MOD Single : A 58 MET CE :methyl -176:sc=-0.00515 (180deg=-0.0132) USER MOD Single : A 60 THR OG1 : rot -170:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= -0.426 USER MOD Single : A 68 LYS NZ :NH3+ 170:sc= 2.29 (180deg=1.69) USER MOD Single : A 74 MET CE :methyl 171:sc= 0 (180deg=-0.0506) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 159:sc= 1.74 (180deg=1.01) USER MOD Single : A 90 HEC O2A : rot -129:sc= -0.666 USER MOD Single : A 90 HEC O2D : rot 166:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A -3 1.701 -2.967 -17.643 1.00 10.00 N ATOM 2 CA ALA A -3 1.643 -2.773 -16.176 1.00 10.00 C ATOM 3 C ALA A -3 3.067 -2.780 -15.608 1.00 10.00 C ATOM 4 O ALA A -3 3.966 -2.385 -16.345 1.00 10.00 O ATOM 5 CB ALA A -3 0.733 -3.829 -15.537 1.00 10.00 C ATOM 0 H1 ALA A -3 0.989 -2.363 -18.101 1.00 10.00 H new ATOM 0 H2 ALA A -3 2.647 -2.711 -17.990 1.00 10.00 H new ATOM 0 H3 ALA A -3 1.507 -3.963 -17.869 1.00 10.00 H new ATOM 0 HA ALA A -3 1.203 -1.805 -15.937 1.00 10.00 H new ATOM 0 HB1 ALA A -3 0.699 -3.675 -14.458 1.00 10.00 H new ATOM 0 HB2 ALA A -3 -0.273 -3.740 -15.948 1.00 10.00 H new ATOM 0 HB3 ALA A -3 1.125 -4.824 -15.750 1.00 10.00 H new ATOM 13 N ASP A -2 3.256 -3.235 -14.367 1.00 10.00 N ATOM 14 CA ASP A -2 4.540 -3.590 -13.772 1.00 10.00 C ATOM 15 C ASP A -2 4.267 -4.425 -12.512 1.00 10.00 C ATOM 16 O ASP A -2 3.432 -4.038 -11.694 1.00 10.00 O ATOM 17 CB ASP A -2 5.385 -2.350 -13.451 1.00 10.00 C ATOM 18 CG ASP A -2 6.818 -2.714 -13.077 1.00 10.00 C ATOM 19 OD1 ASP A -2 7.045 -3.868 -12.638 1.00 10.00 O ATOM 20 OD2 ASP A -2 7.663 -1.816 -13.255 1.00 10.00 O ATOM 0 H ASP A -2 2.478 -3.371 -13.721 1.00 10.00 H new ATOM 0 HA ASP A -2 5.122 -4.173 -14.486 1.00 10.00 H new ATOM 0 HB2 ASP A -2 5.394 -1.684 -14.314 1.00 10.00 H new ATOM 0 HB3 ASP A -2 4.925 -1.801 -12.630 1.00 10.00 H new ATOM 25 N LEU A -1 4.906 -5.591 -12.405 1.00 10.00 N ATOM 26 CA LEU A -1 4.989 -6.318 -11.144 1.00 10.00 C ATOM 27 C LEU A -1 6.361 -6.950 -10.902 1.00 10.00 C ATOM 28 O LEU A -1 6.468 -7.977 -10.241 1.00 10.00 O ATOM 29 CB LEU A -1 3.805 -7.282 -10.978 1.00 10.00 C ATOM 30 CG LEU A -1 3.764 -8.597 -11.790 1.00 10.00 C ATOM 31 CD1 LEU A -1 4.768 -8.747 -12.942 1.00 10.00 C ATOM 32 CD2 LEU A -1 3.865 -9.809 -10.850 1.00 10.00 C ATOM 0 H LEU A -1 5.376 -6.052 -13.184 1.00 10.00 H new ATOM 0 HA LEU A -1 4.896 -5.589 -10.339 1.00 10.00 H new ATOM 0 HB2 LEU A -1 3.749 -7.550 -9.923 1.00 10.00 H new ATOM 0 HB3 LEU A -1 2.898 -6.726 -11.214 1.00 10.00 H new ATOM 0 HG LEU A -1 2.797 -8.551 -12.291 1.00 10.00 H new ATOM 0 HD11 LEU A -1 4.627 -9.715 -13.424 1.00 10.00 H new ATOM 0 HD12 LEU A -1 4.607 -7.952 -13.671 1.00 10.00 H new ATOM 0 HD13 LEU A -1 5.783 -8.681 -12.551 1.00 10.00 H new ATOM 0 HD21 LEU A -1 3.835 -10.728 -11.436 1.00 10.00 H new ATOM 0 HD22 LEU A -1 4.803 -9.763 -10.296 1.00 10.00 H new ATOM 0 HD23 LEU A -1 3.029 -9.797 -10.150 1.00 10.00 H new ATOM 44 N GLN A 1 7.425 -6.336 -11.430 1.00 10.00 N ATOM 45 CA GLN A 1 8.737 -6.983 -11.498 1.00 10.00 C ATOM 46 C GLN A 1 9.657 -6.585 -10.338 1.00 10.00 C ATOM 47 O GLN A 1 10.602 -7.312 -10.034 1.00 10.00 O ATOM 48 CB GLN A 1 9.385 -6.738 -12.873 1.00 10.00 C ATOM 49 CG GLN A 1 9.804 -8.082 -13.493 1.00 10.00 C ATOM 50 CD GLN A 1 10.471 -7.955 -14.859 1.00 10.00 C ATOM 51 OE1 GLN A 1 10.386 -6.938 -15.532 1.00 10.00 O ATOM 52 NE2 GLN A 1 11.142 -9.010 -15.303 1.00 10.00 N ATOM 0 H GLN A 1 7.402 -5.392 -11.816 1.00 10.00 H new ATOM 0 HA GLN A 1 8.581 -8.056 -11.386 1.00 10.00 H new ATOM 0 HB2 GLN A 1 8.683 -6.226 -13.531 1.00 10.00 H new ATOM 0 HB3 GLN A 1 10.254 -6.089 -12.766 1.00 10.00 H new ATOM 0 HG2 GLN A 1 10.489 -8.587 -12.812 1.00 10.00 H new ATOM 0 HG3 GLN A 1 8.923 -8.717 -13.588 1.00 10.00 H new ATOM 0 HE21 GLN A 1 11.205 -9.852 -14.731 1.00 10.00 H new ATOM 0 HE22 GLN A 1 11.595 -8.979 -16.216 1.00 10.00 H new ATOM 61 N ASP A 2 9.367 -5.459 -9.681 1.00 10.00 N ATOM 62 CA ASP A 2 9.956 -5.091 -8.411 1.00 10.00 C ATOM 63 C ASP A 2 8.866 -4.440 -7.549 1.00 10.00 C ATOM 64 O ASP A 2 8.142 -3.552 -8.002 1.00 10.00 O ATOM 65 CB ASP A 2 11.171 -4.182 -8.644 1.00 10.00 C ATOM 66 CG ASP A 2 11.997 -4.007 -7.379 1.00 10.00 C ATOM 67 OD1 ASP A 2 11.367 -3.811 -6.316 1.00 10.00 O ATOM 68 OD2 ASP A 2 13.236 -4.091 -7.492 1.00 10.00 O ATOM 0 H ASP A 2 8.702 -4.770 -10.032 1.00 10.00 H new ATOM 0 HA ASP A 2 10.329 -5.964 -7.876 1.00 10.00 H new ATOM 0 HB2 ASP A 2 11.796 -4.605 -9.430 1.00 10.00 H new ATOM 0 HB3 ASP A 2 10.833 -3.207 -8.995 1.00 10.00 H new ATOM 73 N ALA A 3 8.747 -4.890 -6.305 1.00 10.00 N ATOM 74 CA ALA A 3 7.935 -4.271 -5.272 1.00 10.00 C ATOM 75 C ALA A 3 8.127 -2.746 -5.197 1.00 10.00 C ATOM 76 O ALA A 3 7.153 -1.999 -5.064 1.00 10.00 O ATOM 77 CB ALA A 3 8.331 -4.948 -3.973 1.00 10.00 C ATOM 0 H ALA A 3 9.232 -5.726 -5.980 1.00 10.00 H new ATOM 0 HA ALA A 3 6.875 -4.404 -5.489 1.00 10.00 H new ATOM 0 HB1 ALA A 3 7.753 -4.525 -3.151 1.00 10.00 H new ATOM 0 HB2 ALA A 3 8.132 -6.017 -4.044 1.00 10.00 H new ATOM 0 HB3 ALA A 3 9.393 -4.789 -3.789 1.00 10.00 H new ATOM 83 N GLU A 4 9.375 -2.284 -5.338 1.00 10.00 N ATOM 84 CA GLU A 4 9.678 -0.867 -5.471 1.00 10.00 C ATOM 85 C GLU A 4 8.920 -0.253 -6.646 1.00 10.00 C ATOM 86 O GLU A 4 8.222 0.744 -6.488 1.00 10.00 O ATOM 87 CB GLU A 4 11.186 -0.643 -5.615 1.00 10.00 C ATOM 88 CG GLU A 4 11.490 0.861 -5.753 1.00 10.00 C ATOM 89 CD GLU A 4 12.948 1.200 -5.478 1.00 10.00 C ATOM 90 OE1 GLU A 4 13.805 0.643 -6.193 1.00 10.00 O ATOM 91 OE2 GLU A 4 13.178 2.024 -4.567 1.00 10.00 O ATOM 0 H GLU A 4 10.198 -2.887 -5.362 1.00 10.00 H new ATOM 0 HA GLU A 4 9.348 -0.366 -4.561 1.00 10.00 H new ATOM 0 HB2 GLU A 4 11.706 -1.048 -4.747 1.00 10.00 H new ATOM 0 HB3 GLU A 4 11.559 -1.178 -6.488 1.00 10.00 H new ATOM 0 HG2 GLU A 4 11.230 1.188 -6.760 1.00 10.00 H new ATOM 0 HG3 GLU A 4 10.857 1.419 -5.063 1.00 10.00 H new ATOM 98 N ALA A 5 9.002 -0.877 -7.822 1.00 10.00 N ATOM 99 CA ALA A 5 8.384 -0.357 -9.034 1.00 10.00 C ATOM 100 C ALA A 5 6.859 -0.416 -8.934 1.00 10.00 C ATOM 101 O ALA A 5 6.176 0.498 -9.387 1.00 10.00 O ATOM 102 CB ALA A 5 8.900 -1.121 -10.252 1.00 10.00 C ATOM 0 H ALA A 5 9.500 -1.757 -7.957 1.00 10.00 H new ATOM 0 HA ALA A 5 8.659 0.691 -9.151 1.00 10.00 H new ATOM 0 HB1 ALA A 5 8.433 -0.726 -11.154 1.00 10.00 H new ATOM 0 HB2 ALA A 5 9.982 -1.005 -10.323 1.00 10.00 H new ATOM 0 HB3 ALA A 5 8.654 -2.178 -10.149 1.00 10.00 H new ATOM 108 N ILE A 6 6.320 -1.415 -8.230 1.00 10.00 N ATOM 109 CA ILE A 6 4.883 -1.502 -8.011 1.00 10.00 C ATOM 110 C ILE A 6 4.446 -0.305 -7.167 1.00 10.00 C ATOM 111 O ILE A 6 3.577 0.450 -7.601 1.00 10.00 O ATOM 112 CB ILE A 6 4.546 -2.820 -7.288 1.00 10.00 C ATOM 113 CG1 ILE A 6 4.624 -3.986 -8.282 1.00 10.00 C ATOM 114 CG2 ILE A 6 3.147 -2.782 -6.645 1.00 10.00 C ATOM 115 CD1 ILE A 6 4.863 -5.319 -7.567 1.00 10.00 C ATOM 0 H ILE A 6 6.859 -2.170 -7.805 1.00 10.00 H new ATOM 0 HA ILE A 6 4.355 -1.488 -8.965 1.00 10.00 H new ATOM 0 HB ILE A 6 5.275 -2.957 -6.489 1.00 10.00 H new ATOM 0 HG12 ILE A 6 3.698 -4.040 -8.854 1.00 10.00 H new ATOM 0 HG13 ILE A 6 5.429 -3.805 -8.994 1.00 10.00 H new ATOM 0 HG21 ILE A 6 2.950 -3.731 -6.146 1.00 10.00 H new ATOM 0 HG22 ILE A 6 3.103 -1.973 -5.916 1.00 10.00 H new ATOM 0 HG23 ILE A 6 2.396 -2.615 -7.417 1.00 10.00 H new ATOM 0 HD11 ILE A 6 4.913 -6.122 -8.302 1.00 10.00 H new ATOM 0 HD12 ILE A 6 5.802 -5.273 -7.016 1.00 10.00 H new ATOM 0 HD13 ILE A 6 4.044 -5.512 -6.874 1.00 10.00 H new ATOM 127 N TYR A 7 5.075 -0.052 -6.013 1.00 10.00 N ATOM 128 CA TYR A 7 4.609 1.078 -5.215 1.00 10.00 C ATOM 129 C TYR A 7 4.917 2.422 -5.886 1.00 10.00 C ATOM 130 O TYR A 7 4.073 3.311 -5.928 1.00 10.00 O ATOM 131 CB TYR A 7 5.028 0.987 -3.739 1.00 10.00 C ATOM 132 CG TYR A 7 6.271 1.763 -3.374 1.00 10.00 C ATOM 133 CD1 TYR A 7 6.209 3.160 -3.202 1.00 10.00 C ATOM 134 CD2 TYR A 7 7.498 1.097 -3.248 1.00 10.00 C ATOM 135 CE1 TYR A 7 7.391 3.900 -3.040 1.00 10.00 C ATOM 136 CE2 TYR A 7 8.677 1.841 -3.094 1.00 10.00 C ATOM 137 CZ TYR A 7 8.627 3.238 -3.008 1.00 10.00 C ATOM 138 OH TYR A 7 9.777 3.951 -2.882 1.00 10.00 O ATOM 0 H TYR A 7 5.860 -0.580 -5.631 1.00 10.00 H new ATOM 0 HA TYR A 7 3.521 1.019 -5.182 1.00 10.00 H new ATOM 0 HB2 TYR A 7 4.203 1.342 -3.121 1.00 10.00 H new ATOM 0 HB3 TYR A 7 5.187 -0.062 -3.487 1.00 10.00 H new ATOM 0 HD1 TYR A 7 5.252 3.661 -3.195 1.00 10.00 H new ATOM 0 HD2 TYR A 7 7.535 0.018 -3.269 1.00 10.00 H new ATOM 0 HE1 TYR A 7 7.349 4.975 -2.940 1.00 10.00 H new ATOM 0 HE2 TYR A 7 9.629 1.334 -3.041 1.00 10.00 H new ATOM 0 HH TYR A 7 10.542 3.339 -2.876 1.00 10.00 H new ATOM 148 N ASN A 8 6.111 2.545 -6.459 1.00 10.00 N ATOM 149 CA ASN A 8 6.633 3.749 -7.085 1.00 10.00 C ATOM 150 C ASN A 8 5.896 4.106 -8.384 1.00 10.00 C ATOM 151 O ASN A 8 5.929 5.255 -8.807 1.00 10.00 O ATOM 152 CB ASN A 8 8.139 3.555 -7.284 1.00 10.00 C ATOM 153 CG ASN A 8 8.881 4.814 -7.698 1.00 10.00 C ATOM 154 OD1 ASN A 8 8.592 5.913 -7.244 1.00 10.00 O ATOM 155 ND2 ASN A 8 9.891 4.659 -8.540 1.00 10.00 N ATOM 0 H ASN A 8 6.770 1.768 -6.500 1.00 10.00 H new ATOM 0 HA ASN A 8 6.461 4.608 -6.436 1.00 10.00 H new ATOM 0 HB2 ASN A 8 8.571 3.181 -6.356 1.00 10.00 H new ATOM 0 HB3 ASN A 8 8.298 2.788 -8.042 1.00 10.00 H new ATOM 0 HD21 ASN A 8 10.447 5.466 -8.823 1.00 10.00 H new ATOM 0 HD22 ASN A 8 10.113 3.733 -8.905 1.00 10.00 H new ATOM 162 N LYS A 9 5.236 3.140 -9.032 1.00 10.00 N ATOM 163 CA LYS A 9 4.338 3.379 -10.154 1.00 10.00 C ATOM 164 C LYS A 9 2.855 3.478 -9.740 1.00 10.00 C ATOM 165 O LYS A 9 2.083 4.128 -10.442 1.00 10.00 O ATOM 166 CB LYS A 9 4.589 2.261 -11.160 1.00 10.00 C ATOM 167 CG LYS A 9 4.030 2.543 -12.552 1.00 10.00 C ATOM 168 CD LYS A 9 4.486 1.369 -13.435 1.00 10.00 C ATOM 169 CE LYS A 9 3.336 0.784 -14.253 1.00 10.00 C ATOM 170 NZ LYS A 9 3.277 1.390 -15.599 1.00 10.00 N ATOM 0 H LYS A 9 5.316 2.154 -8.783 1.00 10.00 H new ATOM 0 HA LYS A 9 4.549 4.353 -10.597 1.00 10.00 H new ATOM 0 HB2 LYS A 9 5.663 2.091 -11.238 1.00 10.00 H new ATOM 0 HB3 LYS A 9 4.147 1.339 -10.782 1.00 10.00 H new ATOM 0 HG2 LYS A 9 2.943 2.615 -12.529 1.00 10.00 H new ATOM 0 HG3 LYS A 9 4.404 3.491 -12.939 1.00 10.00 H new ATOM 0 HD2 LYS A 9 5.274 1.707 -14.108 1.00 10.00 H new ATOM 0 HD3 LYS A 9 4.917 0.589 -12.807 1.00 10.00 H new ATOM 0 HE2 LYS A 9 3.461 -0.295 -14.342 1.00 10.00 H new ATOM 0 HE3 LYS A 9 2.393 0.953 -13.733 1.00 10.00 H new ATOM 0 HZ1 LYS A 9 2.487 0.974 -16.133 1.00 10.00 H new ATOM 0 HZ2 LYS A 9 3.134 2.416 -15.512 1.00 10.00 H new ATOM 0 HZ3 LYS A 9 4.169 1.207 -16.102 1.00 10.00 H new ATOM 184 N ALA A 10 2.439 2.818 -8.649 1.00 10.00 N ATOM 185 CA ALA A 10 1.031 2.687 -8.247 1.00 10.00 C ATOM 186 C ALA A 10 0.705 3.506 -6.991 1.00 10.00 C ATOM 187 O ALA A 10 -0.036 4.486 -7.060 1.00 10.00 O ATOM 188 CB ALA A 10 0.663 1.209 -8.067 1.00 10.00 C ATOM 0 H ALA A 10 3.083 2.352 -8.010 1.00 10.00 H new ATOM 0 HA ALA A 10 0.419 3.100 -9.049 1.00 10.00 H new ATOM 0 HB1 ALA A 10 -0.382 1.128 -7.769 1.00 10.00 H new ATOM 0 HB2 ALA A 10 0.815 0.679 -9.007 1.00 10.00 H new ATOM 0 HB3 ALA A 10 1.295 0.768 -7.296 1.00 10.00 H new ATOM 194 N CYS A 11 1.294 3.164 -5.840 1.00 10.00 N ATOM 195 CA CYS A 11 1.122 3.865 -4.561 1.00 10.00 C ATOM 196 C CYS A 11 1.924 5.192 -4.542 1.00 10.00 C ATOM 197 O CYS A 11 2.551 5.565 -3.552 1.00 10.00 O ATOM 198 CB CYS A 11 1.490 2.953 -3.398 1.00 10.00 C ATOM 199 SG CYS A 11 1.522 1.161 -3.721 1.00 10.00 S ATOM 0 H CYS A 11 1.925 2.365 -5.770 1.00 10.00 H new ATOM 0 HA CYS A 11 0.071 4.129 -4.447 1.00 10.00 H new ATOM 0 HB2 CYS A 11 2.475 3.248 -3.036 1.00 10.00 H new ATOM 0 HB3 CYS A 11 0.784 3.137 -2.588 1.00 10.00 H new ATOM 204 N THR A 12 1.899 5.924 -5.658 1.00 10.00 N ATOM 205 CA THR A 12 2.832 7.010 -5.960 1.00 10.00 C ATOM 206 C THR A 12 2.161 8.333 -6.291 1.00 10.00 C ATOM 207 O THR A 12 2.835 9.333 -6.529 1.00 10.00 O ATOM 208 CB THR A 12 3.749 6.582 -7.106 1.00 10.00 C ATOM 209 OG1 THR A 12 4.822 7.483 -7.180 1.00 10.00 O ATOM 210 CG2 THR A 12 3.015 6.570 -8.452 1.00 10.00 C ATOM 0 H THR A 12 1.211 5.773 -6.396 1.00 10.00 H new ATOM 0 HA THR A 12 3.405 7.191 -5.051 1.00 10.00 H new ATOM 0 HB THR A 12 4.097 5.569 -6.905 1.00 10.00 H new ATOM 0 HG1 THR A 12 4.512 8.381 -6.941 1.00 10.00 H new ATOM 0 HG21 THR A 12 3.703 6.260 -9.239 1.00 10.00 H new ATOM 0 HG22 THR A 12 2.180 5.871 -8.405 1.00 10.00 H new ATOM 0 HG23 THR A 12 2.640 7.570 -8.671 1.00 10.00 H new ATOM 218 N VAL A 13 0.834 8.325 -6.313 1.00 10.00 N ATOM 219 CA VAL A 13 0.010 9.465 -6.665 1.00 10.00 C ATOM 220 C VAL A 13 -0.487 10.121 -5.375 1.00 10.00 C ATOM 221 O VAL A 13 -0.400 11.329 -5.175 1.00 10.00 O ATOM 222 CB VAL A 13 -1.144 8.937 -7.528 1.00 10.00 C ATOM 223 CG1 VAL A 13 -1.992 10.114 -7.989 1.00 10.00 C ATOM 224 CG2 VAL A 13 -0.621 8.179 -8.756 1.00 10.00 C ATOM 0 H VAL A 13 0.288 7.496 -6.078 1.00 10.00 H new ATOM 0 HA VAL A 13 0.557 10.220 -7.229 1.00 10.00 H new ATOM 0 HB VAL A 13 -1.737 8.246 -6.929 1.00 10.00 H new ATOM 0 HG11 VAL A 13 -2.816 9.750 -8.603 1.00 10.00 H new ATOM 0 HG12 VAL A 13 -2.391 10.637 -7.120 1.00 10.00 H new ATOM 0 HG13 VAL A 13 -1.377 10.798 -8.574 1.00 10.00 H new ATOM 0 HG21 VAL A 13 -1.463 7.818 -9.346 1.00 10.00 H new ATOM 0 HG22 VAL A 13 -0.012 8.848 -9.364 1.00 10.00 H new ATOM 0 HG23 VAL A 13 -0.016 7.332 -8.431 1.00 10.00 H new ATOM 234 N CYS A 14 -0.994 9.265 -4.492 1.00 10.00 N ATOM 235 CA CYS A 14 -1.658 9.596 -3.250 1.00 10.00 C ATOM 236 C CYS A 14 -0.672 9.546 -2.083 1.00 10.00 C ATOM 237 O CYS A 14 -0.432 10.552 -1.416 1.00 10.00 O ATOM 238 CB CYS A 14 -2.771 8.594 -3.121 1.00 10.00 C ATOM 239 SG CYS A 14 -3.926 8.892 -4.480 1.00 10.00 S ATOM 0 H CYS A 14 -0.945 8.257 -4.642 1.00 10.00 H new ATOM 0 HA CYS A 14 -2.056 10.611 -3.240 1.00 10.00 H new ATOM 0 HB2 CYS A 14 -2.380 7.578 -3.166 1.00 10.00 H new ATOM 0 HB3 CYS A 14 -3.274 8.700 -2.160 1.00 10.00 H new ATOM 244 N HIS A 15 -0.067 8.376 -1.868 1.00 10.00 N ATOM 245 CA HIS A 15 0.758 8.078 -0.702 1.00 10.00 C ATOM 246 C HIS A 15 2.144 8.742 -0.731 1.00 10.00 C ATOM 247 O HIS A 15 2.811 8.849 0.300 1.00 10.00 O ATOM 248 CB HIS A 15 0.911 6.558 -0.603 1.00 10.00 C ATOM 249 CG HIS A 15 -0.303 5.818 -0.110 1.00 10.00 C ATOM 250 ND1 HIS A 15 -0.307 5.060 1.026 1.00 10.00 N ATOM 251 CD2 HIS A 15 -1.433 5.510 -0.815 1.00 10.00 C ATOM 252 CE1 HIS A 15 -1.413 4.302 1.012 1.00 10.00 C ATOM 253 NE2 HIS A 15 -2.151 4.542 -0.088 1.00 10.00 N ATOM 0 H HIS A 15 -0.141 7.593 -2.517 1.00 10.00 H new ATOM 0 HA HIS A 15 0.253 8.491 0.171 1.00 10.00 H new ATOM 0 HB2 HIS A 15 1.176 6.172 -1.587 1.00 10.00 H new ATOM 0 HB3 HIS A 15 1.746 6.336 0.062 1.00 10.00 H new ATOM 0 HD1 HIS A 15 0.405 5.069 1.756 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -1.724 5.935 -1.764 1.00 10.00 H new ATOM 0 HE1 HIS A 15 -1.677 3.592 1.782 1.00 10.00 H new ATOM 261 N SER A 16 2.585 9.182 -1.914 1.00 10.00 N ATOM 262 CA SER A 16 3.892 9.812 -2.092 1.00 10.00 C ATOM 263 C SER A 16 3.974 11.113 -1.286 1.00 10.00 C ATOM 264 O SER A 16 4.899 11.307 -0.499 1.00 10.00 O ATOM 265 CB SER A 16 4.164 10.040 -3.584 1.00 10.00 C ATOM 266 OG SER A 16 5.534 10.325 -3.780 1.00 10.00 O ATOM 0 H SER A 16 2.043 9.110 -2.775 1.00 10.00 H new ATOM 0 HA SER A 16 4.669 9.149 -1.711 1.00 10.00 H new ATOM 0 HB2 SER A 16 3.881 9.155 -4.154 1.00 10.00 H new ATOM 0 HB3 SER A 16 3.555 10.865 -3.953 1.00 10.00 H new ATOM 0 HG SER A 16 5.705 10.468 -4.734 1.00 10.00 H new ATOM 272 N MET A 17 2.959 11.973 -1.444 1.00 10.00 N ATOM 273 CA MET A 17 2.839 13.228 -0.705 1.00 10.00 C ATOM 274 C MET A 17 1.811 13.148 0.440 1.00 10.00 C ATOM 275 O MET A 17 1.991 13.783 1.485 1.00 10.00 O ATOM 276 CB MET A 17 2.522 14.373 -1.686 1.00 10.00 C ATOM 277 CG MET A 17 3.336 15.615 -1.299 1.00 10.00 C ATOM 278 SD MET A 17 5.091 15.532 -1.751 1.00 10.00 S ATOM 279 CE MET A 17 5.802 16.629 -0.513 1.00 10.00 C ATOM 0 H MET A 17 2.192 11.811 -2.097 1.00 10.00 H new ATOM 0 HA MET A 17 3.795 13.431 -0.222 1.00 10.00 H new ATOM 0 HB2 MET A 17 2.762 14.070 -2.705 1.00 10.00 H new ATOM 0 HB3 MET A 17 1.456 14.601 -1.664 1.00 10.00 H new ATOM 0 HG2 MET A 17 2.892 16.489 -1.776 1.00 10.00 H new ATOM 0 HG3 MET A 17 3.257 15.765 -0.222 1.00 10.00 H new ATOM 0 HE1 MET A 17 6.881 16.686 -0.655 1.00 10.00 H new ATOM 0 HE2 MET A 17 5.369 17.624 -0.617 1.00 10.00 H new ATOM 0 HE3 MET A 17 5.587 16.242 0.483 1.00 10.00 H new ATOM 289 N GLY A 18 0.737 12.374 0.251 1.00 10.00 N ATOM 290 CA GLY A 18 -0.433 12.330 1.129 1.00 10.00 C ATOM 291 C GLY A 18 -1.605 13.136 0.549 1.00 10.00 C ATOM 292 O GLY A 18 -2.115 14.054 1.189 1.00 10.00 O ATOM 0 H GLY A 18 0.657 11.741 -0.544 1.00 10.00 H new ATOM 0 HA2 GLY A 18 -0.740 11.294 1.276 1.00 10.00 H new ATOM 0 HA3 GLY A 18 -0.168 12.726 2.109 1.00 10.00 H new ATOM 296 N VAL A 19 -2.024 12.799 -0.675 1.00 10.00 N ATOM 297 CA VAL A 19 -3.130 13.428 -1.402 1.00 10.00 C ATOM 298 C VAL A 19 -4.396 12.570 -1.262 1.00 10.00 C ATOM 299 O VAL A 19 -4.327 11.393 -0.915 1.00 10.00 O ATOM 300 CB VAL A 19 -2.715 13.660 -2.871 1.00 10.00 C ATOM 301 CG1 VAL A 19 -3.853 14.198 -3.749 1.00 10.00 C ATOM 302 CG2 VAL A 19 -1.542 14.646 -2.942 1.00 10.00 C ATOM 0 H VAL A 19 -1.583 12.049 -1.208 1.00 10.00 H new ATOM 0 HA VAL A 19 -3.362 14.405 -0.977 1.00 10.00 H new ATOM 0 HB VAL A 19 -2.430 12.682 -3.258 1.00 10.00 H new ATOM 0 HG11 VAL A 19 -3.492 14.338 -4.768 1.00 10.00 H new ATOM 0 HG12 VAL A 19 -4.678 13.486 -3.751 1.00 10.00 H new ATOM 0 HG13 VAL A 19 -4.198 15.153 -3.352 1.00 10.00 H new ATOM 0 HG21 VAL A 19 -1.259 14.801 -3.983 1.00 10.00 H new ATOM 0 HG22 VAL A 19 -1.839 15.598 -2.501 1.00 10.00 H new ATOM 0 HG23 VAL A 19 -0.693 14.241 -2.392 1.00 10.00 H new ATOM 312 N ALA A 20 -5.570 13.179 -1.451 1.00 10.00 N ATOM 313 CA ALA A 20 -6.877 12.540 -1.259 1.00 10.00 C ATOM 314 C ALA A 20 -7.073 11.994 0.167 1.00 10.00 C ATOM 315 O ALA A 20 -7.845 11.065 0.388 1.00 10.00 O ATOM 316 CB ALA A 20 -7.080 11.449 -2.316 1.00 10.00 C ATOM 0 H ALA A 20 -5.641 14.152 -1.749 1.00 10.00 H new ATOM 0 HA ALA A 20 -7.642 13.306 -1.387 1.00 10.00 H new ATOM 0 HB1 ALA A 20 -8.052 10.977 -2.170 1.00 10.00 H new ATOM 0 HB2 ALA A 20 -7.038 11.894 -3.310 1.00 10.00 H new ATOM 0 HB3 ALA A 20 -6.295 10.699 -2.221 1.00 10.00 H new ATOM 322 N GLY A 21 -6.345 12.563 1.133 1.00 10.00 N ATOM 323 CA GLY A 21 -6.322 12.105 2.518 1.00 10.00 C ATOM 324 C GLY A 21 -5.449 10.862 2.737 1.00 10.00 C ATOM 325 O GLY A 21 -5.426 10.328 3.841 1.00 10.00 O ATOM 0 H GLY A 21 -5.745 13.371 0.967 1.00 10.00 H new ATOM 0 HA2 GLY A 21 -5.957 12.912 3.153 1.00 10.00 H new ATOM 0 HA3 GLY A 21 -7.341 11.884 2.836 1.00 10.00 H new ATOM 329 N ALA A 22 -4.725 10.394 1.712 1.00 10.00 N ATOM 330 CA ALA A 22 -3.896 9.200 1.824 1.00 10.00 C ATOM 331 C ALA A 22 -2.826 9.326 2.921 1.00 10.00 C ATOM 332 O ALA A 22 -2.273 10.407 3.138 1.00 10.00 O ATOM 333 CB ALA A 22 -3.267 8.869 0.467 1.00 10.00 C ATOM 0 H ALA A 22 -4.701 10.832 0.791 1.00 10.00 H new ATOM 0 HA ALA A 22 -4.543 8.376 2.124 1.00 10.00 H new ATOM 0 HB1 ALA A 22 -2.649 7.976 0.560 1.00 10.00 H new ATOM 0 HB2 ALA A 22 -4.054 8.691 -0.265 1.00 10.00 H new ATOM 0 HB3 ALA A 22 -2.649 9.705 0.139 1.00 10.00 H new ATOM 339 N PRO A 23 -2.508 8.210 3.593 1.00 10.00 N ATOM 340 CA PRO A 23 -1.400 8.123 4.528 1.00 10.00 C ATOM 341 C PRO A 23 -0.085 8.290 3.766 1.00 10.00 C ATOM 342 O PRO A 23 -0.035 8.119 2.550 1.00 10.00 O ATOM 343 CB PRO A 23 -1.523 6.718 5.088 1.00 10.00 C ATOM 344 CG PRO A 23 -2.039 5.906 3.919 1.00 10.00 C ATOM 345 CD PRO A 23 -3.038 6.879 3.315 1.00 10.00 C ATOM 0 HA PRO A 23 -1.416 8.885 5.307 1.00 10.00 H new ATOM 0 HB2 PRO A 23 -0.563 6.343 5.442 1.00 10.00 H new ATOM 0 HB3 PRO A 23 -2.210 6.683 5.933 1.00 10.00 H new ATOM 0 HG2 PRO A 23 -1.247 5.640 3.219 1.00 10.00 H new ATOM 0 HG3 PRO A 23 -2.509 4.976 4.238 1.00 10.00 H new ATOM 0 HD2 PRO A 23 -3.145 6.716 2.243 1.00 10.00 H new ATOM 0 HD3 PRO A 23 -4.026 6.751 3.757 1.00 10.00 H new ATOM 353 N LYS A 24 1.002 8.580 4.474 1.00 10.00 N ATOM 354 CA LYS A 24 2.299 8.795 3.844 1.00 10.00 C ATOM 355 C LYS A 24 3.020 7.459 3.603 1.00 10.00 C ATOM 356 O LYS A 24 2.839 6.480 4.342 1.00 10.00 O ATOM 357 CB LYS A 24 3.115 9.803 4.673 1.00 10.00 C ATOM 358 CG LYS A 24 3.526 11.053 3.878 1.00 10.00 C ATOM 359 CD LYS A 24 4.026 12.123 4.865 1.00 10.00 C ATOM 360 CE LYS A 24 4.313 13.473 4.192 1.00 10.00 C ATOM 361 NZ LYS A 24 3.070 14.208 3.860 1.00 10.00 N ATOM 0 H LYS A 24 1.009 8.672 5.490 1.00 10.00 H new ATOM 0 HA LYS A 24 2.166 9.234 2.855 1.00 10.00 H new ATOM 0 HB2 LYS A 24 2.529 10.109 5.540 1.00 10.00 H new ATOM 0 HB3 LYS A 24 4.011 9.311 5.051 1.00 10.00 H new ATOM 0 HG2 LYS A 24 4.309 10.805 3.161 1.00 10.00 H new ATOM 0 HG3 LYS A 24 2.679 11.433 3.306 1.00 10.00 H new ATOM 0 HD2 LYS A 24 3.280 12.265 5.647 1.00 10.00 H new ATOM 0 HD3 LYS A 24 4.934 11.765 5.351 1.00 10.00 H new ATOM 0 HE2 LYS A 24 4.928 14.083 4.853 1.00 10.00 H new ATOM 0 HE3 LYS A 24 4.890 13.308 3.282 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 3.183 15.212 4.108 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 2.878 14.122 2.842 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 2.275 13.806 4.397 1.00 10.00 H new ATOM 375 N SER A 25 3.827 7.431 2.537 1.00 10.00 N ATOM 376 CA SER A 25 4.761 6.365 2.192 1.00 10.00 C ATOM 377 C SER A 25 5.530 5.873 3.426 1.00 10.00 C ATOM 378 O SER A 25 5.269 4.786 3.932 1.00 10.00 O ATOM 379 CB SER A 25 5.705 6.900 1.103 1.00 10.00 C ATOM 380 OG SER A 25 6.341 8.084 1.565 1.00 10.00 O ATOM 0 H SER A 25 3.844 8.193 1.859 1.00 10.00 H new ATOM 0 HA SER A 25 4.219 5.499 1.813 1.00 10.00 H new ATOM 0 HB2 SER A 25 6.452 6.147 0.853 1.00 10.00 H new ATOM 0 HB3 SER A 25 5.145 7.108 0.191 1.00 10.00 H new ATOM 0 HG SER A 25 6.944 8.424 0.871 1.00 10.00 H new ATOM 386 N HIS A 26 6.429 6.705 3.951 1.00 10.00 N ATOM 387 CA HIS A 26 7.169 6.489 5.174 1.00 10.00 C ATOM 388 C HIS A 26 6.545 7.360 6.269 1.00 10.00 C ATOM 389 O HIS A 26 6.444 8.580 6.166 1.00 10.00 O ATOM 390 CB HIS A 26 8.676 6.729 4.963 1.00 10.00 C ATOM 391 CG HIS A 26 9.168 8.109 5.319 1.00 10.00 C ATOM 392 ND1 HIS A 26 9.691 8.479 6.537 1.00 10.00 N ATOM 393 CD2 HIS A 26 9.053 9.242 4.556 1.00 10.00 C ATOM 394 CE1 HIS A 26 9.896 9.807 6.504 1.00 10.00 C ATOM 395 NE2 HIS A 26 9.528 10.315 5.317 1.00 10.00 N ATOM 0 H HIS A 26 6.666 7.591 3.504 1.00 10.00 H new ATOM 0 HA HIS A 26 7.099 5.449 5.493 1.00 10.00 H new ATOM 0 HB2 HIS A 26 9.229 6.001 5.556 1.00 10.00 H new ATOM 0 HB3 HIS A 26 8.914 6.535 3.917 1.00 10.00 H new ATOM 0 HD2 HIS A 26 8.666 9.296 3.549 1.00 10.00 H new ATOM 0 HE1 HIS A 26 10.301 10.386 7.321 1.00 10.00 H new ATOM 0 HE2 HIS A 26 9.584 11.291 5.027 1.00 10.00 H new ATOM 403 N ASN A 27 6.080 6.691 7.309 1.00 10.00 N ATOM 404 CA ASN A 27 5.606 7.264 8.556 1.00 10.00 C ATOM 405 C ASN A 27 5.834 6.237 9.672 1.00 10.00 C ATOM 406 O ASN A 27 6.077 5.067 9.380 1.00 10.00 O ATOM 407 CB ASN A 27 4.108 7.572 8.407 1.00 10.00 C ATOM 408 CG ASN A 27 3.754 9.051 8.373 1.00 10.00 C ATOM 409 OD1 ASN A 27 4.497 9.904 8.839 1.00 10.00 O ATOM 410 ND2 ASN A 27 2.577 9.378 7.865 1.00 10.00 N ATOM 0 H ASN A 27 6.020 5.673 7.305 1.00 10.00 H new ATOM 0 HA ASN A 27 6.138 8.184 8.799 1.00 10.00 H new ATOM 0 HB2 ASN A 27 3.747 7.107 7.490 1.00 10.00 H new ATOM 0 HB3 ASN A 27 3.573 7.105 9.234 1.00 10.00 H new ATOM 0 HD21 ASN A 27 2.278 10.353 7.858 1.00 10.00 H new ATOM 0 HD22 ASN A 27 1.969 8.655 7.480 1.00 10.00 H new ATOM 417 N THR A 28 5.701 6.651 10.935 1.00 10.00 N ATOM 418 CA THR A 28 5.698 5.704 12.057 1.00 10.00 C ATOM 419 C THR A 28 4.315 5.603 12.716 1.00 10.00 C ATOM 420 O THR A 28 3.854 4.503 13.001 1.00 10.00 O ATOM 421 CB THR A 28 6.752 6.156 13.081 1.00 10.00 C ATOM 422 OG1 THR A 28 8.010 6.287 12.454 1.00 10.00 O ATOM 423 CG2 THR A 28 6.900 5.168 14.240 1.00 10.00 C ATOM 0 H THR A 28 5.595 7.628 11.207 1.00 10.00 H new ATOM 0 HA THR A 28 5.941 4.710 11.680 1.00 10.00 H new ATOM 0 HB THR A 28 6.411 7.112 13.479 1.00 10.00 H new ATOM 0 HG1 THR A 28 8.675 6.577 13.113 1.00 10.00 H new ATOM 0 HG21 THR A 28 7.656 5.533 14.935 1.00 10.00 H new ATOM 0 HG22 THR A 28 5.947 5.071 14.759 1.00 10.00 H new ATOM 0 HG23 THR A 28 7.203 4.195 13.852 1.00 10.00 H new ATOM 431 N ALA A 29 3.572 6.712 12.805 1.00 10.00 N ATOM 432 CA ALA A 29 2.263 6.748 13.471 1.00 10.00 C ATOM 433 C ALA A 29 1.102 6.376 12.540 1.00 10.00 C ATOM 434 O ALA A 29 -0.011 6.113 12.982 1.00 10.00 O ATOM 435 CB ALA A 29 2.050 8.140 14.051 1.00 10.00 C ATOM 0 H ALA A 29 3.860 7.610 12.418 1.00 10.00 H new ATOM 0 HA ALA A 29 2.270 5.996 14.260 1.00 10.00 H new ATOM 0 HB1 ALA A 29 1.081 8.182 14.549 1.00 10.00 H new ATOM 0 HB2 ALA A 29 2.838 8.359 14.771 1.00 10.00 H new ATOM 0 HB3 ALA A 29 2.078 8.877 13.248 1.00 10.00 H new ATOM 441 N ASP A 30 1.376 6.361 11.238 1.00 10.00 N ATOM 442 CA ASP A 30 0.467 5.983 10.166 1.00 10.00 C ATOM 443 C ASP A 30 0.527 4.457 9.929 1.00 10.00 C ATOM 444 O ASP A 30 -0.433 3.828 9.487 1.00 10.00 O ATOM 445 CB ASP A 30 0.964 6.810 8.974 1.00 10.00 C ATOM 446 CG ASP A 30 -0.040 7.218 7.942 1.00 10.00 C ATOM 447 OD1 ASP A 30 -1.198 6.774 8.031 1.00 10.00 O ATOM 448 OD2 ASP A 30 0.443 7.935 7.035 1.00 10.00 O ATOM 0 H ASP A 30 2.295 6.629 10.885 1.00 10.00 H new ATOM 0 HA ASP A 30 -0.584 6.184 10.373 1.00 10.00 H new ATOM 0 HB2 ASP A 30 1.430 7.715 9.365 1.00 10.00 H new ATOM 0 HB3 ASP A 30 1.746 6.240 8.473 1.00 10.00 H new ATOM 453 N TRP A 31 1.683 3.858 10.252 1.00 10.00 N ATOM 454 CA TRP A 31 1.974 2.429 10.159 1.00 10.00 C ATOM 455 C TRP A 31 1.752 1.702 11.509 1.00 10.00 C ATOM 456 O TRP A 31 1.201 0.599 11.535 1.00 10.00 O ATOM 457 CB TRP A 31 3.397 2.269 9.595 1.00 10.00 C ATOM 458 CG TRP A 31 3.579 2.685 8.155 1.00 10.00 C ATOM 459 CD1 TRP A 31 3.810 3.943 7.699 1.00 10.00 C ATOM 460 CD2 TRP A 31 3.503 1.853 6.956 1.00 10.00 C ATOM 461 NE1 TRP A 31 3.887 3.947 6.322 1.00 10.00 N ATOM 462 CE2 TRP A 31 3.662 2.693 5.812 1.00 10.00 C ATOM 463 CE3 TRP A 31 3.288 0.478 6.709 1.00 10.00 C ATOM 464 CZ2 TRP A 31 3.559 2.215 4.504 1.00 10.00 C ATOM 465 CZ3 TRP A 31 3.240 -0.018 5.393 1.00 10.00 C ATOM 466 CH2 TRP A 31 3.354 0.849 4.303 1.00 10.00 C ATOM 0 H TRP A 31 2.479 4.390 10.603 1.00 10.00 H new ATOM 0 HA TRP A 31 1.276 1.944 9.477 1.00 10.00 H new ATOM 0 HB2 TRP A 31 4.081 2.852 10.212 1.00 10.00 H new ATOM 0 HB3 TRP A 31 3.692 1.224 9.693 1.00 10.00 H new ATOM 0 HD1 TRP A 31 3.918 4.816 8.325 1.00 10.00 H new ATOM 0 HE1 TRP A 31 4.085 4.773 5.757 1.00 10.00 H new ATOM 0 HE3 TRP A 31 3.159 -0.200 7.540 1.00 10.00 H new ATOM 0 HZ2 TRP A 31 3.636 2.889 3.664 1.00 10.00 H new ATOM 0 HZ3 TRP A 31 3.114 -1.077 5.224 1.00 10.00 H new ATOM 0 HH2 TRP A 31 3.283 0.459 3.298 1.00 10.00 H new ATOM 477 N GLU A 32 2.112 2.324 12.642 1.00 10.00 N ATOM 478 CA GLU A 32 1.831 1.817 13.992 1.00 10.00 C ATOM 479 C GLU A 32 0.416 1.219 14.176 1.00 10.00 C ATOM 480 O GLU A 32 0.302 0.034 14.495 1.00 10.00 O ATOM 481 CB GLU A 32 2.158 2.927 14.999 1.00 10.00 C ATOM 482 CG GLU A 32 1.619 2.677 16.416 1.00 10.00 C ATOM 483 CD GLU A 32 2.057 3.775 17.377 1.00 10.00 C ATOM 484 OE1 GLU A 32 1.835 4.954 17.022 1.00 10.00 O ATOM 485 OE2 GLU A 32 2.609 3.414 18.437 1.00 10.00 O ATOM 0 H GLU A 32 2.616 3.211 12.644 1.00 10.00 H new ATOM 0 HA GLU A 32 2.475 0.956 14.173 1.00 10.00 H new ATOM 0 HB2 GLU A 32 3.240 3.047 15.051 1.00 10.00 H new ATOM 0 HB3 GLU A 32 1.751 3.868 14.629 1.00 10.00 H new ATOM 0 HG2 GLU A 32 0.530 2.627 16.390 1.00 10.00 H new ATOM 0 HG3 GLU A 32 1.974 1.712 16.777 1.00 10.00 H new ATOM 492 N PRO A 33 -0.678 1.967 13.927 1.00 10.00 N ATOM 493 CA PRO A 33 -2.045 1.470 14.086 1.00 10.00 C ATOM 494 C PRO A 33 -2.446 0.403 13.052 1.00 10.00 C ATOM 495 O PRO A 33 -3.580 -0.071 13.073 1.00 10.00 O ATOM 496 CB PRO A 33 -2.933 2.717 13.985 1.00 10.00 C ATOM 497 CG PRO A 33 -2.129 3.641 13.074 1.00 10.00 C ATOM 498 CD PRO A 33 -0.701 3.365 13.532 1.00 10.00 C ATOM 0 HA PRO A 33 -2.152 0.953 15.039 1.00 10.00 H new ATOM 0 HB2 PRO A 33 -3.910 2.483 13.561 1.00 10.00 H new ATOM 0 HB3 PRO A 33 -3.109 3.167 14.962 1.00 10.00 H new ATOM 0 HG2 PRO A 33 -2.274 3.403 12.020 1.00 10.00 H new ATOM 0 HG3 PRO A 33 -2.406 4.687 13.206 1.00 10.00 H new ATOM 0 HD2 PRO A 33 0.011 3.557 12.730 1.00 10.00 H new ATOM 0 HD3 PRO A 33 -0.425 4.012 14.365 1.00 10.00 H new ATOM 506 N ARG A 34 -1.541 0.018 12.148 1.00 10.00 N ATOM 507 CA ARG A 34 -1.751 -1.012 11.136 1.00 10.00 C ATOM 508 C ARG A 34 -1.042 -2.303 11.573 1.00 10.00 C ATOM 509 O ARG A 34 -1.657 -3.373 11.618 1.00 10.00 O ATOM 510 CB ARG A 34 -1.287 -0.463 9.775 1.00 10.00 C ATOM 511 CG ARG A 34 -1.850 0.937 9.486 1.00 10.00 C ATOM 512 CD ARG A 34 -3.361 0.904 9.236 1.00 10.00 C ATOM 513 NE ARG A 34 -4.028 2.034 9.908 1.00 10.00 N ATOM 514 CZ ARG A 34 -5.333 2.116 10.196 1.00 10.00 C ATOM 515 NH1 ARG A 34 -6.198 1.244 9.699 1.00 10.00 N ATOM 516 NH2 ARG A 34 -5.789 3.088 10.975 1.00 10.00 N ATOM 0 H ARG A 34 -0.610 0.432 12.102 1.00 10.00 H new ATOM 0 HA ARG A 34 -2.804 -1.270 11.027 1.00 10.00 H new ATOM 0 HB2 ARG A 34 -0.198 -0.425 9.754 1.00 10.00 H new ATOM 0 HB3 ARG A 34 -1.598 -1.147 8.985 1.00 10.00 H new ATOM 0 HG2 ARG A 34 -1.635 1.596 10.328 1.00 10.00 H new ATOM 0 HG3 ARG A 34 -1.347 1.358 8.616 1.00 10.00 H new ATOM 0 HD2 ARG A 34 -3.558 0.945 8.165 1.00 10.00 H new ATOM 0 HD3 ARG A 34 -3.774 -0.037 9.600 1.00 10.00 H new ATOM 0 HE ARG A 34 -3.443 2.825 10.178 1.00 10.00 H new ATOM 0 HH11 ARG A 34 -5.873 0.496 9.087 1.00 10.00 H new ATOM 0 HH12 ARG A 34 -7.189 1.321 9.929 1.00 10.00 H new ATOM 0 HH21 ARG A 34 -5.144 3.779 11.359 1.00 10.00 H new ATOM 0 HH22 ARG A 34 -6.784 3.144 11.190 1.00 10.00 H new ATOM 530 N LEU A 35 0.192 -2.164 12.074 1.00 10.00 N ATOM 531 CA LEU A 35 0.946 -3.185 12.815 1.00 10.00 C ATOM 532 C LEU A 35 0.266 -3.678 14.109 1.00 10.00 C ATOM 533 O LEU A 35 0.840 -4.491 14.830 1.00 10.00 O ATOM 534 CB LEU A 35 2.345 -2.615 13.125 1.00 10.00 C ATOM 535 CG LEU A 35 3.356 -3.017 12.045 1.00 10.00 C ATOM 536 CD1 LEU A 35 4.282 -1.849 11.698 1.00 10.00 C ATOM 537 CD2 LEU A 35 4.144 -4.248 12.509 1.00 10.00 C ATOM 0 H LEU A 35 0.717 -1.296 11.969 1.00 10.00 H new ATOM 0 HA LEU A 35 1.001 -4.069 12.179 1.00 10.00 H new ATOM 0 HB2 LEU A 35 2.292 -1.528 13.191 1.00 10.00 H new ATOM 0 HB3 LEU A 35 2.682 -2.978 14.096 1.00 10.00 H new ATOM 0 HG LEU A 35 2.819 -3.277 11.133 1.00 10.00 H new ATOM 0 HD11 LEU A 35 4.989 -2.161 10.930 1.00 10.00 H new ATOM 0 HD12 LEU A 35 3.689 -1.013 11.327 1.00 10.00 H new ATOM 0 HD13 LEU A 35 4.828 -1.540 12.590 1.00 10.00 H new ATOM 0 HD21 LEU A 35 4.862 -4.532 11.739 1.00 10.00 H new ATOM 0 HD22 LEU A 35 4.675 -4.014 13.432 1.00 10.00 H new ATOM 0 HD23 LEU A 35 3.456 -5.075 12.686 1.00 10.00 H new ATOM 549 N ALA A 36 -0.963 -3.239 14.392 1.00 10.00 N ATOM 550 CA ALA A 36 -1.754 -3.678 15.528 1.00 10.00 C ATOM 551 C ALA A 36 -2.589 -4.908 15.152 1.00 10.00 C ATOM 552 O ALA A 36 -2.863 -5.751 16.003 1.00 10.00 O ATOM 553 CB ALA A 36 -2.641 -2.519 15.986 1.00 10.00 C ATOM 0 H ALA A 36 -1.443 -2.548 13.816 1.00 10.00 H new ATOM 0 HA ALA A 36 -1.100 -3.969 16.350 1.00 10.00 H new ATOM 0 HB1 ALA A 36 -3.241 -2.835 16.839 1.00 10.00 H new ATOM 0 HB2 ALA A 36 -2.016 -1.674 16.275 1.00 10.00 H new ATOM 0 HB3 ALA A 36 -3.299 -2.220 15.170 1.00 10.00 H new ATOM 559 N LYS A 37 -2.989 -5.009 13.874 1.00 10.00 N ATOM 560 CA LYS A 37 -3.688 -6.177 13.347 1.00 10.00 C ATOM 561 C LYS A 37 -2.700 -7.203 12.770 1.00 10.00 C ATOM 562 O LYS A 37 -2.728 -8.370 13.148 1.00 10.00 O ATOM 563 CB LYS A 37 -4.779 -5.759 12.342 1.00 10.00 C ATOM 564 CG LYS A 37 -5.903 -5.007 13.075 1.00 10.00 C ATOM 565 CD LYS A 37 -7.262 -4.996 12.351 1.00 10.00 C ATOM 566 CE LYS A 37 -7.424 -3.885 11.300 1.00 10.00 C ATOM 567 NZ LYS A 37 -7.054 -4.338 9.944 1.00 10.00 N ATOM 0 H LYS A 37 -2.833 -4.277 13.181 1.00 10.00 H new ATOM 0 HA LYS A 37 -4.199 -6.676 14.170 1.00 10.00 H new ATOM 0 HB2 LYS A 37 -4.349 -5.124 11.568 1.00 10.00 H new ATOM 0 HB3 LYS A 37 -5.183 -6.640 11.843 1.00 10.00 H new ATOM 0 HG2 LYS A 37 -6.037 -5.455 14.059 1.00 10.00 H new ATOM 0 HG3 LYS A 37 -5.586 -3.977 13.235 1.00 10.00 H new ATOM 0 HD2 LYS A 37 -7.406 -5.961 11.865 1.00 10.00 H new ATOM 0 HD3 LYS A 37 -8.053 -4.892 13.094 1.00 10.00 H new ATOM 0 HE2 LYS A 37 -8.458 -3.540 11.296 1.00 10.00 H new ATOM 0 HE3 LYS A 37 -6.804 -3.032 11.577 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 -7.179 -3.556 9.270 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 -6.060 -4.643 9.939 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 -7.662 -5.135 9.666 1.00 10.00 H new ATOM 581 N GLY A 38 -1.840 -6.779 11.838 1.00 10.00 N ATOM 582 CA GLY A 38 -0.828 -7.653 11.240 1.00 10.00 C ATOM 583 C GLY A 38 -0.297 -7.087 9.918 1.00 10.00 C ATOM 584 O GLY A 38 0.171 -5.952 9.884 1.00 10.00 O ATOM 0 H GLY A 38 -1.826 -5.824 11.479 1.00 10.00 H new ATOM 0 HA2 GLY A 38 -0.001 -7.783 11.938 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -1.257 -8.640 11.067 1.00 10.00 H new ATOM 588 N VAL A 39 -0.405 -7.863 8.832 1.00 10.00 N ATOM 589 CA VAL A 39 0.099 -7.499 7.503 1.00 10.00 C ATOM 590 C VAL A 39 -0.886 -7.881 6.400 1.00 10.00 C ATOM 591 O VAL A 39 -1.503 -7.005 5.787 1.00 10.00 O ATOM 592 CB VAL A 39 1.499 -8.091 7.247 1.00 10.00 C ATOM 593 CG1 VAL A 39 2.510 -6.950 7.299 1.00 10.00 C ATOM 594 CG2 VAL A 39 1.913 -9.192 8.235 1.00 10.00 C ATOM 0 H VAL A 39 -0.854 -8.779 8.854 1.00 10.00 H new ATOM 0 HA VAL A 39 0.198 -6.414 7.481 1.00 10.00 H new ATOM 0 HB VAL A 39 1.471 -8.572 6.269 1.00 10.00 H new ATOM 0 HG11 VAL A 39 3.511 -7.343 7.121 1.00 10.00 H new ATOM 0 HG12 VAL A 39 2.267 -6.214 6.533 1.00 10.00 H new ATOM 0 HG13 VAL A 39 2.475 -6.477 8.281 1.00 10.00 H new ATOM 0 HG21 VAL A 39 2.910 -9.552 7.982 1.00 10.00 H new ATOM 0 HG22 VAL A 39 1.919 -8.789 9.248 1.00 10.00 H new ATOM 0 HG23 VAL A 39 1.204 -10.018 8.178 1.00 10.00 H new ATOM 604 N ASP A 40 -1.127 -9.181 6.198 1.00 10.00 N ATOM 605 CA ASP A 40 -2.029 -9.738 5.194 1.00 10.00 C ATOM 606 C ASP A 40 -3.512 -9.332 5.341 1.00 10.00 C ATOM 607 O ASP A 40 -4.383 -9.960 4.741 1.00 10.00 O ATOM 608 CB ASP A 40 -1.957 -11.270 5.259 1.00 10.00 C ATOM 609 CG ASP A 40 -0.575 -11.892 5.262 1.00 10.00 C ATOM 610 OD1 ASP A 40 0.285 -11.390 6.017 1.00 10.00 O ATOM 611 OD2 ASP A 40 -0.418 -12.865 4.492 1.00 10.00 O ATOM 0 H ASP A 40 -0.675 -9.904 6.758 1.00 10.00 H new ATOM 0 HA ASP A 40 -1.688 -9.330 4.242 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -2.478 -11.596 6.159 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -2.508 -11.672 4.409 1.00 10.00 H new ATOM 616 N ASN A 41 -3.813 -8.296 6.121 1.00 10.00 N ATOM 617 CA ASN A 41 -5.150 -7.763 6.336 1.00 10.00 C ATOM 618 C ASN A 41 -5.394 -6.634 5.333 1.00 10.00 C ATOM 619 O ASN A 41 -6.417 -6.569 4.661 1.00 10.00 O ATOM 620 CB ASN A 41 -5.265 -7.213 7.774 1.00 10.00 C ATOM 621 CG ASN A 41 -4.292 -7.816 8.774 1.00 10.00 C ATOM 622 OD1 ASN A 41 -3.516 -6.962 9.420 1.00 10.00 O flip ATOM 623 ND2 ASN A 41 -4.236 -9.017 8.990 1.00 10.00 N flip ATOM 0 H ASN A 41 -3.099 -7.786 6.641 1.00 10.00 H new ATOM 0 HA ASN A 41 -5.891 -8.551 6.198 1.00 10.00 H new ATOM 0 HB2 ASN A 41 -5.112 -6.134 7.747 1.00 10.00 H new ATOM 0 HB3 ASN A 41 -6.281 -7.382 8.131 1.00 10.00 H new ATOM 0 HD21 ASN A 41 -4.845 -9.656 8.479 1.00 10.00 H new ATOM 0 HD22 ASN A 41 -3.580 -9.381 9.681 1.00 10.00 H new ATOM 630 N LEU A 42 -4.426 -5.724 5.250 1.00 10.00 N ATOM 631 CA LEU A 42 -4.550 -4.459 4.550 1.00 10.00 C ATOM 632 C LEU A 42 -4.332 -4.664 3.049 1.00 10.00 C ATOM 633 O LEU A 42 -5.017 -4.052 2.227 1.00 10.00 O ATOM 634 CB LEU A 42 -3.549 -3.492 5.183 1.00 10.00 C ATOM 635 CG LEU A 42 -3.911 -3.183 6.649 1.00 10.00 C ATOM 636 CD1 LEU A 42 -2.680 -3.336 7.544 1.00 10.00 C ATOM 637 CD2 LEU A 42 -4.483 -1.768 6.792 1.00 10.00 C ATOM 0 H LEU A 42 -3.511 -5.855 5.681 1.00 10.00 H new ATOM 0 HA LEU A 42 -5.550 -4.036 4.646 1.00 10.00 H new ATOM 0 HB2 LEU A 42 -2.548 -3.921 5.137 1.00 10.00 H new ATOM 0 HB3 LEU A 42 -3.525 -2.565 4.610 1.00 10.00 H new ATOM 0 HG LEU A 42 -4.674 -3.896 6.961 1.00 10.00 H new ATOM 0 HD11 LEU A 42 -2.951 -3.115 8.576 1.00 10.00 H new ATOM 0 HD12 LEU A 42 -2.307 -4.358 7.478 1.00 10.00 H new ATOM 0 HD13 LEU A 42 -1.904 -2.645 7.216 1.00 10.00 H new ATOM 0 HD21 LEU A 42 -4.729 -1.579 7.837 1.00 10.00 H new ATOM 0 HD22 LEU A 42 -3.744 -1.041 6.456 1.00 10.00 H new ATOM 0 HD23 LEU A 42 -5.384 -1.677 6.185 1.00 10.00 H new ATOM 649 N VAL A 43 -3.460 -5.611 2.680 1.00 10.00 N ATOM 650 CA VAL A 43 -3.330 -6.044 1.293 1.00 10.00 C ATOM 651 C VAL A 43 -4.681 -6.492 0.710 1.00 10.00 C ATOM 652 O VAL A 43 -4.968 -6.306 -0.474 1.00 10.00 O ATOM 653 CB VAL A 43 -2.265 -7.144 1.201 1.00 10.00 C ATOM 654 CG1 VAL A 43 -2.772 -8.501 1.675 1.00 10.00 C ATOM 655 CG2 VAL A 43 -1.777 -7.274 -0.241 1.00 10.00 C ATOM 0 H VAL A 43 -2.835 -6.090 3.328 1.00 10.00 H new ATOM 0 HA VAL A 43 -3.006 -5.199 0.685 1.00 10.00 H new ATOM 0 HB VAL A 43 -1.450 -6.847 1.861 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -1.974 -9.239 1.586 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -3.085 -8.429 2.716 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -3.619 -8.807 1.062 1.00 10.00 H new ATOM 0 HG21 VAL A 43 -1.021 -8.057 -0.300 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -2.616 -7.531 -0.887 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -1.345 -6.327 -0.566 1.00 10.00 H new ATOM 665 N LYS A 44 -5.544 -7.061 1.561 1.00 10.00 N ATOM 666 CA LYS A 44 -6.874 -7.474 1.137 1.00 10.00 C ATOM 667 C LYS A 44 -7.720 -6.259 0.726 1.00 10.00 C ATOM 668 O LYS A 44 -8.385 -6.282 -0.308 1.00 10.00 O ATOM 669 CB LYS A 44 -7.569 -8.358 2.187 1.00 10.00 C ATOM 670 CG LYS A 44 -6.687 -9.500 2.719 1.00 10.00 C ATOM 671 CD LYS A 44 -6.445 -10.647 1.712 1.00 10.00 C ATOM 672 CE LYS A 44 -4.956 -11.032 1.565 1.00 10.00 C ATOM 673 NZ LYS A 44 -4.691 -12.474 1.744 1.00 10.00 N ATOM 0 H LYS A 44 -5.339 -7.243 2.544 1.00 10.00 H new ATOM 0 HA LYS A 44 -6.763 -8.100 0.252 1.00 10.00 H new ATOM 0 HB2 LYS A 44 -7.883 -7.734 3.024 1.00 10.00 H new ATOM 0 HB3 LYS A 44 -8.473 -8.783 1.750 1.00 10.00 H new ATOM 0 HG2 LYS A 44 -5.724 -9.088 3.019 1.00 10.00 H new ATOM 0 HG3 LYS A 44 -7.150 -9.912 3.615 1.00 10.00 H new ATOM 0 HD2 LYS A 44 -7.009 -11.524 2.029 1.00 10.00 H new ATOM 0 HD3 LYS A 44 -6.834 -10.353 0.737 1.00 10.00 H new ATOM 0 HE2 LYS A 44 -4.608 -10.728 0.578 1.00 10.00 H new ATOM 0 HE3 LYS A 44 -4.372 -10.472 2.295 1.00 10.00 H new ATOM 0 HZ1 LYS A 44 -3.673 -12.657 1.631 1.00 10.00 H new ATOM 0 HZ2 LYS A 44 -4.992 -12.767 2.695 1.00 10.00 H new ATOM 0 HZ3 LYS A 44 -5.221 -13.015 1.031 1.00 10.00 H new ATOM 687 N SER A 45 -7.644 -5.160 1.484 1.00 10.00 N ATOM 688 CA SER A 45 -8.301 -3.910 1.125 1.00 10.00 C ATOM 689 C SER A 45 -7.649 -3.305 -0.120 1.00 10.00 C ATOM 690 O SER A 45 -8.334 -2.716 -0.954 1.00 10.00 O ATOM 691 CB SER A 45 -8.255 -2.927 2.298 1.00 10.00 C ATOM 692 OG SER A 45 -8.796 -3.531 3.459 1.00 10.00 O ATOM 0 H SER A 45 -7.125 -5.117 2.361 1.00 10.00 H new ATOM 0 HA SER A 45 -9.346 -4.117 0.896 1.00 10.00 H new ATOM 0 HB2 SER A 45 -7.226 -2.619 2.484 1.00 10.00 H new ATOM 0 HB3 SER A 45 -8.818 -2.027 2.051 1.00 10.00 H new ATOM 0 HG SER A 45 -8.761 -2.896 4.205 1.00 10.00 H new ATOM 698 N VAL A 46 -6.333 -3.472 -0.281 1.00 10.00 N ATOM 699 CA VAL A 46 -5.657 -3.002 -1.485 1.00 10.00 C ATOM 700 C VAL A 46 -6.253 -3.643 -2.739 1.00 10.00 C ATOM 701 O VAL A 46 -6.678 -2.933 -3.650 1.00 10.00 O ATOM 702 CB VAL A 46 -4.144 -3.183 -1.358 1.00 10.00 C ATOM 703 CG1 VAL A 46 -3.394 -3.191 -2.693 1.00 10.00 C ATOM 704 CG2 VAL A 46 -3.551 -2.148 -0.410 1.00 10.00 C ATOM 0 H VAL A 46 -5.724 -3.924 0.401 1.00 10.00 H new ATOM 0 HA VAL A 46 -5.827 -1.931 -1.595 1.00 10.00 H new ATOM 0 HB VAL A 46 -4.005 -4.180 -0.939 1.00 10.00 H new ATOM 0 HG11 VAL A 46 -2.328 -3.324 -2.510 1.00 10.00 H new ATOM 0 HG12 VAL A 46 -3.761 -4.010 -3.312 1.00 10.00 H new ATOM 0 HG13 VAL A 46 -3.559 -2.245 -3.208 1.00 10.00 H new ATOM 0 HG21 VAL A 46 -2.474 -2.297 -0.336 1.00 10.00 H new ATOM 0 HG22 VAL A 46 -3.753 -1.147 -0.791 1.00 10.00 H new ATOM 0 HG23 VAL A 46 -4.001 -2.258 0.577 1.00 10.00 H new ATOM 714 N LYS A 47 -6.344 -4.977 -2.763 1.00 10.00 N ATOM 715 CA LYS A 47 -7.002 -5.701 -3.854 1.00 10.00 C ATOM 716 C LYS A 47 -8.456 -5.248 -4.057 1.00 10.00 C ATOM 717 O LYS A 47 -8.908 -5.101 -5.189 1.00 10.00 O ATOM 718 CB LYS A 47 -6.796 -7.212 -3.680 1.00 10.00 C ATOM 719 CG LYS A 47 -7.958 -7.980 -3.026 1.00 10.00 C ATOM 720 CD LYS A 47 -7.438 -9.078 -2.089 1.00 10.00 C ATOM 721 CE LYS A 47 -7.614 -10.492 -2.654 1.00 10.00 C ATOM 722 NZ LYS A 47 -9.007 -10.968 -2.484 1.00 10.00 N ATOM 0 H LYS A 47 -5.967 -5.581 -2.032 1.00 10.00 H new ATOM 0 HA LYS A 47 -6.528 -5.446 -4.802 1.00 10.00 H new ATOM 0 HB2 LYS A 47 -6.605 -7.648 -4.661 1.00 10.00 H new ATOM 0 HB3 LYS A 47 -5.899 -7.370 -3.081 1.00 10.00 H new ATOM 0 HG2 LYS A 47 -8.586 -7.287 -2.466 1.00 10.00 H new ATOM 0 HG3 LYS A 47 -8.585 -8.424 -3.799 1.00 10.00 H new ATOM 0 HD2 LYS A 47 -6.381 -8.904 -1.888 1.00 10.00 H new ATOM 0 HD3 LYS A 47 -7.960 -9.008 -1.134 1.00 10.00 H new ATOM 0 HE2 LYS A 47 -7.351 -10.499 -3.712 1.00 10.00 H new ATOM 0 HE3 LYS A 47 -6.930 -11.175 -2.151 1.00 10.00 H new ATOM 0 HZ1 LYS A 47 -9.096 -11.927 -2.875 1.00 10.00 H new ATOM 0 HZ2 LYS A 47 -9.248 -10.983 -1.472 1.00 10.00 H new ATOM 0 HZ3 LYS A 47 -9.656 -10.328 -2.985 1.00 10.00 H new ATOM 736 N THR A 48 -9.161 -4.955 -2.958 1.00 10.00 N ATOM 737 CA THR A 48 -10.571 -4.558 -2.991 1.00 10.00 C ATOM 738 C THR A 48 -10.756 -3.143 -3.555 1.00 10.00 C ATOM 739 O THR A 48 -11.758 -2.872 -4.212 1.00 10.00 O ATOM 740 CB THR A 48 -11.200 -4.705 -1.583 1.00 10.00 C ATOM 741 OG1 THR A 48 -12.340 -5.529 -1.645 1.00 10.00 O ATOM 742 CG2 THR A 48 -11.633 -3.406 -0.892 1.00 10.00 C ATOM 0 H THR A 48 -8.767 -4.987 -2.018 1.00 10.00 H new ATOM 0 HA THR A 48 -11.096 -5.229 -3.671 1.00 10.00 H new ATOM 0 HB THR A 48 -10.389 -5.127 -0.989 1.00 10.00 H new ATOM 0 HG1 THR A 48 -12.729 -5.617 -0.750 1.00 10.00 H new ATOM 0 HG21 THR A 48 -12.058 -3.638 0.085 1.00 10.00 H new ATOM 0 HG22 THR A 48 -10.768 -2.755 -0.766 1.00 10.00 H new ATOM 0 HG23 THR A 48 -12.382 -2.901 -1.503 1.00 10.00 H new ATOM 750 N GLY A 49 -9.803 -2.237 -3.304 1.00 10.00 N ATOM 751 CA GLY A 49 -9.977 -0.816 -3.586 1.00 10.00 C ATOM 752 C GLY A 49 -10.818 -0.127 -2.503 1.00 10.00 C ATOM 753 O GLY A 49 -12.045 -0.187 -2.511 1.00 10.00 O ATOM 0 H GLY A 49 -8.896 -2.472 -2.902 1.00 10.00 H new ATOM 0 HA2 GLY A 49 -9.001 -0.335 -3.652 1.00 10.00 H new ATOM 0 HA3 GLY A 49 -10.459 -0.693 -4.556 1.00 10.00 H new ATOM 757 N LEU A 50 -10.150 0.521 -1.544 1.00 10.00 N ATOM 758 CA LEU A 50 -10.798 1.342 -0.519 1.00 10.00 C ATOM 759 C LEU A 50 -11.560 2.521 -1.150 1.00 10.00 C ATOM 760 O LEU A 50 -11.390 2.834 -2.318 1.00 10.00 O ATOM 761 CB LEU A 50 -9.711 1.788 0.471 1.00 10.00 C ATOM 762 CG LEU A 50 -10.184 2.319 1.834 1.00 10.00 C ATOM 763 CD1 LEU A 50 -9.298 1.729 2.938 1.00 10.00 C ATOM 764 CD2 LEU A 50 -10.058 3.846 1.894 1.00 10.00 C ATOM 0 H LEU A 50 -9.134 0.490 -1.457 1.00 10.00 H new ATOM 0 HA LEU A 50 -11.554 0.770 0.018 1.00 10.00 H new ATOM 0 HB2 LEU A 50 -9.047 0.942 0.649 1.00 10.00 H new ATOM 0 HB3 LEU A 50 -9.115 2.566 -0.007 1.00 10.00 H new ATOM 0 HG LEU A 50 -11.227 2.033 1.971 1.00 10.00 H new ATOM 0 HD11 LEU A 50 -9.628 2.102 3.908 1.00 10.00 H new ATOM 0 HD12 LEU A 50 -9.373 0.642 2.923 1.00 10.00 H new ATOM 0 HD13 LEU A 50 -8.262 2.024 2.770 1.00 10.00 H new ATOM 0 HD21 LEU A 50 -10.398 4.201 2.867 1.00 10.00 H new ATOM 0 HD22 LEU A 50 -9.016 4.131 1.747 1.00 10.00 H new ATOM 0 HD23 LEU A 50 -10.670 4.293 1.111 1.00 10.00 H new ATOM 776 N ASN A 51 -12.405 3.203 -0.384 1.00 10.00 N ATOM 777 CA ASN A 51 -13.321 4.244 -0.878 1.00 10.00 C ATOM 778 C ASN A 51 -12.658 5.237 -1.840 1.00 10.00 C ATOM 779 O ASN A 51 -13.062 5.400 -2.988 1.00 10.00 O ATOM 780 CB ASN A 51 -13.944 5.021 0.293 1.00 10.00 C ATOM 781 CG ASN A 51 -14.327 4.067 1.404 1.00 10.00 C ATOM 782 OD1 ASN A 51 -13.365 3.819 2.281 1.00 10.00 O flip ATOM 783 ND2 ASN A 51 -15.393 3.472 1.416 1.00 10.00 N flip ATOM 0 H ASN A 51 -12.479 3.049 0.622 1.00 10.00 H new ATOM 0 HA ASN A 51 -14.093 3.714 -1.436 1.00 10.00 H new ATOM 0 HB2 ASN A 51 -13.236 5.761 0.666 1.00 10.00 H new ATOM 0 HB3 ASN A 51 -14.824 5.566 -0.049 1.00 10.00 H new ATOM 0 HD21 ASN A 51 -16.108 3.693 0.723 1.00 10.00 H new ATOM 0 HD22 ASN A 51 -15.569 2.754 2.119 1.00 10.00 H new ATOM 790 N ALA A 52 -11.619 5.896 -1.328 1.00 10.00 N ATOM 791 CA ALA A 52 -10.761 6.816 -2.062 1.00 10.00 C ATOM 792 C ALA A 52 -9.500 6.134 -2.632 1.00 10.00 C ATOM 793 O ALA A 52 -8.536 6.826 -2.960 1.00 10.00 O ATOM 794 CB ALA A 52 -10.430 7.981 -1.124 1.00 10.00 C ATOM 0 H ALA A 52 -11.344 5.797 -0.351 1.00 10.00 H new ATOM 0 HA ALA A 52 -11.285 7.186 -2.943 1.00 10.00 H new ATOM 0 HB1 ALA A 52 -9.787 8.693 -1.641 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -11.352 8.478 -0.822 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -9.916 7.602 -0.241 1.00 10.00 H new ATOM 800 N MET A 53 -9.496 4.796 -2.764 1.00 10.00 N ATOM 801 CA MET A 53 -8.405 4.050 -3.412 1.00 10.00 C ATOM 802 C MET A 53 -8.869 3.126 -4.571 1.00 10.00 C ATOM 803 O MET A 53 -9.748 2.291 -4.380 1.00 10.00 O ATOM 804 CB MET A 53 -7.644 3.255 -2.341 1.00 10.00 C ATOM 805 CG MET A 53 -6.341 2.709 -2.924 1.00 10.00 C ATOM 806 SD MET A 53 -5.142 1.908 -1.826 1.00 10.00 S ATOM 807 CE MET A 53 -6.139 0.636 -1.020 1.00 10.00 C ATOM 0 H MET A 53 -10.251 4.201 -2.423 1.00 10.00 H new ATOM 0 HA MET A 53 -7.748 4.781 -3.884 1.00 10.00 H new ATOM 0 HB2 MET A 53 -7.429 3.895 -1.485 1.00 10.00 H new ATOM 0 HB3 MET A 53 -8.262 2.434 -1.978 1.00 10.00 H new ATOM 0 HG2 MET A 53 -6.606 1.990 -3.700 1.00 10.00 H new ATOM 0 HG3 MET A 53 -5.831 3.537 -3.417 1.00 10.00 H new ATOM 0 HE1 MET A 53 -5.500 0.018 -0.389 1.00 10.00 H new ATOM 0 HE2 MET A 53 -6.906 1.109 -0.407 1.00 10.00 H new ATOM 0 HE3 MET A 53 -6.613 0.012 -1.777 1.00 10.00 H new ATOM 817 N PRO A 54 -8.262 3.188 -5.773 1.00 10.00 N ATOM 818 CA PRO A 54 -8.609 2.284 -6.870 1.00 10.00 C ATOM 819 C PRO A 54 -8.305 0.816 -6.521 1.00 10.00 C ATOM 820 O PRO A 54 -7.482 0.546 -5.641 1.00 10.00 O ATOM 821 CB PRO A 54 -7.785 2.764 -8.072 1.00 10.00 C ATOM 822 CG PRO A 54 -6.572 3.411 -7.413 1.00 10.00 C ATOM 823 CD PRO A 54 -7.171 4.062 -6.172 1.00 10.00 C ATOM 0 HA PRO A 54 -9.678 2.309 -7.082 1.00 10.00 H new ATOM 0 HB2 PRO A 54 -7.499 1.937 -8.722 1.00 10.00 H new ATOM 0 HB3 PRO A 54 -8.340 3.475 -8.685 1.00 10.00 H new ATOM 0 HG2 PRO A 54 -5.810 2.675 -7.156 1.00 10.00 H new ATOM 0 HG3 PRO A 54 -6.099 4.144 -8.067 1.00 10.00 H new ATOM 0 HD2 PRO A 54 -6.429 4.154 -5.378 1.00 10.00 H new ATOM 0 HD3 PRO A 54 -7.531 5.068 -6.390 1.00 10.00 H new ATOM 831 N PRO A 55 -8.952 -0.145 -7.202 1.00 10.00 N ATOM 832 CA PRO A 55 -8.746 -1.564 -6.951 1.00 10.00 C ATOM 833 C PRO A 55 -7.288 -1.958 -7.193 1.00 10.00 C ATOM 834 O PRO A 55 -6.578 -1.346 -7.994 1.00 10.00 O ATOM 835 CB PRO A 55 -9.723 -2.300 -7.871 1.00 10.00 C ATOM 836 CG PRO A 55 -9.915 -1.318 -9.025 1.00 10.00 C ATOM 837 CD PRO A 55 -9.858 0.042 -8.326 1.00 10.00 C ATOM 0 HA PRO A 55 -8.939 -1.828 -5.911 1.00 10.00 H new ATOM 0 HB2 PRO A 55 -9.316 -3.251 -8.214 1.00 10.00 H new ATOM 0 HB3 PRO A 55 -10.664 -2.520 -7.367 1.00 10.00 H new ATOM 0 HG2 PRO A 55 -9.132 -1.419 -9.777 1.00 10.00 H new ATOM 0 HG3 PRO A 55 -10.867 -1.472 -9.533 1.00 10.00 H new ATOM 0 HD2 PRO A 55 -9.494 0.817 -9.001 1.00 10.00 H new ATOM 0 HD3 PRO A 55 -10.846 0.353 -7.988 1.00 10.00 H new ATOM 845 N GLY A 56 -6.816 -2.946 -6.429 1.00 10.00 N ATOM 846 CA GLY A 56 -5.417 -3.352 -6.449 1.00 10.00 C ATOM 847 C GLY A 56 -4.442 -2.198 -6.222 1.00 10.00 C ATOM 848 O GLY A 56 -3.349 -2.182 -6.783 1.00 10.00 O ATOM 0 H GLY A 56 -7.394 -3.483 -5.783 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -5.256 -4.109 -5.681 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -5.197 -3.819 -7.409 1.00 10.00 H new ATOM 852 N GLY A 57 -4.860 -1.200 -5.435 1.00 10.00 N ATOM 853 CA GLY A 57 -4.156 0.067 -5.260 1.00 10.00 C ATOM 854 C GLY A 57 -3.594 0.673 -6.563 1.00 10.00 C ATOM 855 O GLY A 57 -2.556 1.329 -6.521 1.00 10.00 O ATOM 0 H GLY A 57 -5.720 -1.257 -4.890 1.00 10.00 H new ATOM 0 HA2 GLY A 57 -4.836 0.786 -4.804 1.00 10.00 H new ATOM 0 HA3 GLY A 57 -3.334 -0.082 -4.560 1.00 10.00 H new ATOM 859 N MET A 58 -4.277 0.458 -7.698 1.00 10.00 N ATOM 860 CA MET A 58 -3.893 0.872 -9.055 1.00 10.00 C ATOM 861 C MET A 58 -2.872 -0.058 -9.756 1.00 10.00 C ATOM 862 O MET A 58 -2.146 0.383 -10.647 1.00 10.00 O ATOM 863 CB MET A 58 -3.464 2.354 -9.120 1.00 10.00 C ATOM 864 CG MET A 58 -3.689 2.924 -10.536 1.00 10.00 C ATOM 865 SD MET A 58 -2.319 3.845 -11.286 1.00 10.00 S ATOM 866 CE MET A 58 -2.548 5.469 -10.547 1.00 10.00 C ATOM 0 H MET A 58 -5.167 -0.040 -7.691 1.00 10.00 H new ATOM 0 HA MET A 58 -4.809 0.767 -9.636 1.00 10.00 H new ATOM 0 HB2 MET A 58 -4.033 2.935 -8.394 1.00 10.00 H new ATOM 0 HB3 MET A 58 -2.412 2.446 -8.848 1.00 10.00 H new ATOM 0 HG2 MET A 58 -3.941 2.095 -11.198 1.00 10.00 H new ATOM 0 HG3 MET A 58 -4.559 3.580 -10.502 1.00 10.00 H new ATOM 0 HE1 MET A 58 -1.822 6.165 -10.967 1.00 10.00 H new ATOM 0 HE2 MET A 58 -3.556 5.825 -10.757 1.00 10.00 H new ATOM 0 HE3 MET A 58 -2.404 5.402 -9.469 1.00 10.00 H new ATOM 876 N CYS A 59 -2.826 -1.348 -9.410 1.00 10.00 N ATOM 877 CA CYS A 59 -2.032 -2.355 -10.125 1.00 10.00 C ATOM 878 C CYS A 59 -2.909 -3.271 -11.005 1.00 10.00 C ATOM 879 O CYS A 59 -4.127 -3.304 -10.853 1.00 10.00 O ATOM 880 CB CYS A 59 -1.228 -3.165 -9.104 1.00 10.00 C ATOM 881 SG CYS A 59 0.154 -4.108 -9.797 1.00 10.00 S ATOM 0 H CYS A 59 -3.344 -1.728 -8.618 1.00 10.00 H new ATOM 0 HA CYS A 59 -1.350 -1.845 -10.806 1.00 10.00 H new ATOM 0 HB2 CYS A 59 -0.841 -2.484 -8.346 1.00 10.00 H new ATOM 0 HB3 CYS A 59 -1.902 -3.856 -8.598 1.00 10.00 H new ATOM 886 N THR A 60 -2.279 -4.022 -11.919 1.00 10.00 N ATOM 887 CA THR A 60 -2.925 -5.039 -12.756 1.00 10.00 C ATOM 888 C THR A 60 -2.651 -6.440 -12.175 1.00 10.00 C ATOM 889 O THR A 60 -3.380 -6.899 -11.299 1.00 10.00 O ATOM 890 CB THR A 60 -2.472 -4.892 -14.226 1.00 10.00 C ATOM 891 OG1 THR A 60 -2.651 -3.575 -14.699 1.00 10.00 O ATOM 892 CG2 THR A 60 -3.235 -5.826 -15.171 1.00 10.00 C ATOM 0 H THR A 60 -1.279 -3.935 -12.100 1.00 10.00 H new ATOM 0 HA THR A 60 -4.006 -4.896 -12.751 1.00 10.00 H new ATOM 0 HB THR A 60 -1.414 -5.156 -14.225 1.00 10.00 H new ATOM 0 HG1 THR A 60 -2.505 -3.553 -15.668 1.00 10.00 H new ATOM 0 HG21 THR A 60 -2.878 -5.682 -16.191 1.00 10.00 H new ATOM 0 HG22 THR A 60 -3.070 -6.861 -14.871 1.00 10.00 H new ATOM 0 HG23 THR A 60 -4.300 -5.600 -15.124 1.00 10.00 H new ATOM 900 N ASP A 61 -1.583 -7.117 -12.619 1.00 10.00 N ATOM 901 CA ASP A 61 -1.273 -8.495 -12.260 1.00 10.00 C ATOM 902 C ASP A 61 -0.338 -8.542 -11.032 1.00 10.00 C ATOM 903 O ASP A 61 0.671 -9.237 -11.008 1.00 10.00 O ATOM 904 CB ASP A 61 -0.700 -9.158 -13.527 1.00 10.00 C ATOM 905 CG ASP A 61 -1.007 -10.647 -13.597 1.00 10.00 C ATOM 906 OD1 ASP A 61 -0.264 -11.424 -12.966 1.00 10.00 O ATOM 907 OD2 ASP A 61 -1.983 -10.976 -14.304 1.00 10.00 O ATOM 0 H ASP A 61 -0.898 -6.705 -13.253 1.00 10.00 H new ATOM 0 HA ASP A 61 -2.154 -9.054 -11.945 1.00 10.00 H new ATOM 0 HB2 ASP A 61 -1.110 -8.664 -14.408 1.00 10.00 H new ATOM 0 HB3 ASP A 61 0.380 -9.012 -13.553 1.00 10.00 H new ATOM 912 N CYS A 62 -0.654 -7.761 -9.993 1.00 10.00 N ATOM 913 CA CYS A 62 0.100 -7.803 -8.739 1.00 10.00 C ATOM 914 C CYS A 62 -0.294 -9.050 -7.932 1.00 10.00 C ATOM 915 O CYS A 62 -1.431 -9.160 -7.475 1.00 10.00 O ATOM 916 CB CYS A 62 -0.151 -6.548 -7.895 1.00 10.00 C ATOM 917 SG CYS A 62 0.934 -5.124 -8.130 1.00 10.00 S ATOM 0 H CYS A 62 -1.426 -7.094 -9.997 1.00 10.00 H new ATOM 0 HA CYS A 62 1.161 -7.844 -8.987 1.00 10.00 H new ATOM 0 HB2 CYS A 62 -1.174 -6.221 -8.083 1.00 10.00 H new ATOM 0 HB3 CYS A 62 -0.096 -6.837 -6.846 1.00 10.00 H new ATOM 922 N THR A 63 0.646 -9.970 -7.716 1.00 10.00 N ATOM 923 CA THR A 63 0.445 -11.148 -6.870 1.00 10.00 C ATOM 924 C THR A 63 0.602 -10.754 -5.391 1.00 10.00 C ATOM 925 O THR A 63 1.374 -9.844 -5.097 1.00 10.00 O ATOM 926 CB THR A 63 1.470 -12.210 -7.305 1.00 10.00 C ATOM 927 OG1 THR A 63 1.250 -12.522 -8.664 1.00 10.00 O ATOM 928 CG2 THR A 63 1.374 -13.523 -6.529 1.00 10.00 C ATOM 0 H THR A 63 1.578 -9.919 -8.127 1.00 10.00 H new ATOM 0 HA THR A 63 -0.559 -11.559 -6.982 1.00 10.00 H new ATOM 0 HB THR A 63 2.452 -11.777 -7.114 1.00 10.00 H new ATOM 0 HG1 THR A 63 1.899 -13.197 -8.954 1.00 10.00 H new ATOM 0 HG21 THR A 63 2.129 -14.218 -6.895 1.00 10.00 H new ATOM 0 HG22 THR A 63 1.540 -13.332 -5.469 1.00 10.00 H new ATOM 0 HG23 THR A 63 0.384 -13.957 -6.669 1.00 10.00 H new ATOM 936 N ASP A 64 -0.090 -11.421 -4.447 1.00 10.00 N ATOM 937 CA ASP A 64 0.181 -11.304 -3.004 1.00 10.00 C ATOM 938 C ASP A 64 1.655 -11.068 -2.661 1.00 10.00 C ATOM 939 O ASP A 64 1.967 -10.105 -1.972 1.00 10.00 O ATOM 940 CB ASP A 64 -0.353 -12.522 -2.226 1.00 10.00 C ATOM 941 CG ASP A 64 -1.578 -12.290 -1.337 1.00 10.00 C ATOM 942 OD1 ASP A 64 -2.642 -11.894 -1.853 1.00 10.00 O ATOM 943 OD2 ASP A 64 -1.428 -12.529 -0.113 1.00 10.00 O ATOM 0 H ASP A 64 -0.856 -12.058 -4.667 1.00 10.00 H new ATOM 0 HA ASP A 64 -0.358 -10.410 -2.691 1.00 10.00 H new ATOM 0 HB2 ASP A 64 -0.598 -13.304 -2.945 1.00 10.00 H new ATOM 0 HB3 ASP A 64 0.453 -12.906 -1.601 1.00 10.00 H new ATOM 948 N GLU A 65 2.548 -11.948 -3.117 1.00 10.00 N ATOM 949 CA GLU A 65 3.980 -11.847 -2.862 1.00 10.00 C ATOM 950 C GLU A 65 4.509 -10.434 -3.149 1.00 10.00 C ATOM 951 O GLU A 65 5.054 -9.775 -2.262 1.00 10.00 O ATOM 952 CB GLU A 65 4.722 -12.928 -3.661 1.00 10.00 C ATOM 953 CG GLU A 65 4.197 -14.336 -3.321 1.00 10.00 C ATOM 954 CD GLU A 65 5.236 -15.427 -3.559 1.00 10.00 C ATOM 955 OE1 GLU A 65 5.625 -15.596 -4.732 1.00 10.00 O ATOM 956 OE2 GLU A 65 5.611 -16.073 -2.558 1.00 10.00 O ATOM 0 H GLU A 65 2.291 -12.759 -3.680 1.00 10.00 H new ATOM 0 HA GLU A 65 4.166 -12.023 -1.802 1.00 10.00 H new ATOM 0 HB2 GLU A 65 4.602 -12.741 -4.728 1.00 10.00 H new ATOM 0 HB3 GLU A 65 5.789 -12.874 -3.446 1.00 10.00 H new ATOM 0 HG2 GLU A 65 3.884 -14.360 -2.277 1.00 10.00 H new ATOM 0 HG3 GLU A 65 3.313 -14.545 -3.924 1.00 10.00 H new ATOM 963 N ASP A 66 4.285 -9.930 -4.364 1.00 10.00 N ATOM 964 CA ASP A 66 4.782 -8.631 -4.780 1.00 10.00 C ATOM 965 C ASP A 66 3.991 -7.488 -4.121 1.00 10.00 C ATOM 966 O ASP A 66 4.574 -6.477 -3.724 1.00 10.00 O ATOM 967 CB ASP A 66 4.766 -8.588 -6.309 1.00 10.00 C ATOM 968 CG ASP A 66 5.418 -9.833 -6.876 1.00 10.00 C ATOM 969 OD1 ASP A 66 4.662 -10.817 -7.032 1.00 10.00 O ATOM 970 OD2 ASP A 66 6.651 -9.792 -7.066 1.00 10.00 O ATOM 0 H ASP A 66 3.752 -10.418 -5.084 1.00 10.00 H new ATOM 0 HA ASP A 66 5.808 -8.485 -4.443 1.00 10.00 H new ATOM 0 HB2 ASP A 66 3.739 -8.512 -6.667 1.00 10.00 H new ATOM 0 HB3 ASP A 66 5.293 -7.701 -6.660 1.00 10.00 H new ATOM 975 N TYR A 67 2.677 -7.661 -3.922 1.00 10.00 N ATOM 976 CA TYR A 67 1.887 -6.697 -3.150 1.00 10.00 C ATOM 977 C TYR A 67 2.465 -6.517 -1.739 1.00 10.00 C ATOM 978 O TYR A 67 2.686 -5.406 -1.269 1.00 10.00 O ATOM 979 CB TYR A 67 0.434 -7.178 -3.019 1.00 10.00 C ATOM 980 CG TYR A 67 -0.560 -6.690 -4.051 1.00 10.00 C ATOM 981 CD1 TYR A 67 -0.715 -5.310 -4.282 1.00 10.00 C ATOM 982 CD2 TYR A 67 -1.491 -7.594 -4.594 1.00 10.00 C ATOM 983 CE1 TYR A 67 -1.681 -4.857 -5.195 1.00 10.00 C ATOM 984 CE2 TYR A 67 -2.498 -7.130 -5.457 1.00 10.00 C ATOM 985 CZ TYR A 67 -2.551 -5.774 -5.801 1.00 10.00 C ATOM 986 OH TYR A 67 -3.354 -5.378 -6.821 1.00 10.00 O ATOM 0 H TYR A 67 2.144 -8.453 -4.282 1.00 10.00 H new ATOM 0 HA TYR A 67 1.921 -5.746 -3.682 1.00 10.00 H new ATOM 0 HB2 TYR A 67 0.437 -8.268 -3.044 1.00 10.00 H new ATOM 0 HB3 TYR A 67 0.069 -6.883 -2.035 1.00 10.00 H new ATOM 0 HD1 TYR A 67 -0.092 -4.601 -3.758 1.00 10.00 H new ATOM 0 HD2 TYR A 67 -1.432 -8.644 -4.348 1.00 10.00 H new ATOM 0 HE1 TYR A 67 -1.753 -3.805 -5.430 1.00 10.00 H new ATOM 0 HE2 TYR A 67 -3.230 -7.818 -5.854 1.00 10.00 H new ATOM 0 HH TYR A 67 -3.893 -6.137 -7.127 1.00 10.00 H new ATOM 996 N LYS A 68 2.693 -7.633 -1.057 1.00 10.00 N ATOM 997 CA LYS A 68 3.177 -7.700 0.311 1.00 10.00 C ATOM 998 C LYS A 68 4.580 -7.125 0.382 1.00 10.00 C ATOM 999 O LYS A 68 4.812 -6.218 1.169 1.00 10.00 O ATOM 1000 CB LYS A 68 3.135 -9.147 0.799 1.00 10.00 C ATOM 1001 CG LYS A 68 1.687 -9.538 1.095 1.00 10.00 C ATOM 1002 CD LYS A 68 1.543 -11.061 1.074 1.00 10.00 C ATOM 1003 CE LYS A 68 0.540 -11.473 2.141 1.00 10.00 C ATOM 1004 NZ LYS A 68 0.130 -12.878 1.982 1.00 10.00 N ATOM 0 H LYS A 68 2.538 -8.556 -1.463 1.00 10.00 H new ATOM 0 HA LYS A 68 2.537 -7.107 0.964 1.00 10.00 H new ATOM 0 HB2 LYS A 68 3.556 -9.810 0.043 1.00 10.00 H new ATOM 0 HB3 LYS A 68 3.745 -9.258 1.696 1.00 10.00 H new ATOM 0 HG2 LYS A 68 1.388 -9.149 2.069 1.00 10.00 H new ATOM 0 HG3 LYS A 68 1.022 -9.091 0.356 1.00 10.00 H new ATOM 0 HD2 LYS A 68 1.208 -11.395 0.092 1.00 10.00 H new ATOM 0 HD3 LYS A 68 2.507 -11.534 1.260 1.00 10.00 H new ATOM 0 HE2 LYS A 68 0.979 -11.330 3.129 1.00 10.00 H new ATOM 0 HE3 LYS A 68 -0.337 -10.828 2.086 1.00 10.00 H new ATOM 0 HZ1 LYS A 68 -0.417 -13.176 2.815 1.00 10.00 H new ATOM 0 HZ2 LYS A 68 -0.457 -12.974 1.129 1.00 10.00 H new ATOM 0 HZ3 LYS A 68 0.975 -13.478 1.890 1.00 10.00 H new ATOM 1018 N ALA A 69 5.478 -7.584 -0.492 1.00 10.00 N ATOM 1019 CA ALA A 69 6.782 -6.964 -0.691 1.00 10.00 C ATOM 1020 C ALA A 69 6.674 -5.437 -0.876 1.00 10.00 C ATOM 1021 O ALA A 69 7.484 -4.687 -0.340 1.00 10.00 O ATOM 1022 CB ALA A 69 7.478 -7.639 -1.870 1.00 10.00 C ATOM 0 H ALA A 69 5.317 -8.400 -1.082 1.00 10.00 H new ATOM 0 HA ALA A 69 7.385 -7.110 0.205 1.00 10.00 H new ATOM 0 HB1 ALA A 69 8.455 -7.181 -2.026 1.00 10.00 H new ATOM 0 HB2 ALA A 69 7.604 -8.701 -1.659 1.00 10.00 H new ATOM 0 HB3 ALA A 69 6.872 -7.517 -2.768 1.00 10.00 H new ATOM 1028 N ALA A 70 5.665 -4.949 -1.603 1.00 10.00 N ATOM 1029 CA ALA A 70 5.445 -3.512 -1.792 1.00 10.00 C ATOM 1030 C ALA A 70 4.972 -2.822 -0.501 1.00 10.00 C ATOM 1031 O ALA A 70 5.523 -1.802 -0.103 1.00 10.00 O ATOM 1032 CB ALA A 70 4.498 -3.275 -2.975 1.00 10.00 C ATOM 0 H ALA A 70 4.979 -5.537 -2.076 1.00 10.00 H new ATOM 0 HA ALA A 70 6.400 -3.047 -2.035 1.00 10.00 H new ATOM 0 HB1 ALA A 70 4.341 -2.204 -3.107 1.00 10.00 H new ATOM 0 HB2 ALA A 70 4.937 -3.692 -3.882 1.00 10.00 H new ATOM 0 HB3 ALA A 70 3.542 -3.760 -2.779 1.00 10.00 H new ATOM 1038 N ILE A 71 3.980 -3.395 0.182 1.00 10.00 N ATOM 1039 CA ILE A 71 3.491 -2.942 1.489 1.00 10.00 C ATOM 1040 C ILE A 71 4.632 -2.887 2.531 1.00 10.00 C ATOM 1041 O ILE A 71 4.829 -1.883 3.218 1.00 10.00 O ATOM 1042 CB ILE A 71 2.301 -3.852 1.885 1.00 10.00 C ATOM 1043 CG1 ILE A 71 0.958 -3.310 1.364 1.00 10.00 C ATOM 1044 CG2 ILE A 71 2.219 -4.172 3.382 1.00 10.00 C ATOM 1045 CD1 ILE A 71 0.087 -4.409 0.761 1.00 10.00 C ATOM 0 H ILE A 71 3.478 -4.211 -0.168 1.00 10.00 H new ATOM 0 HA ILE A 71 3.129 -1.915 1.443 1.00 10.00 H new ATOM 0 HB ILE A 71 2.506 -4.800 1.389 1.00 10.00 H new ATOM 0 HG12 ILE A 71 0.420 -2.830 2.182 1.00 10.00 H new ATOM 0 HG13 ILE A 71 1.145 -2.543 0.612 1.00 10.00 H new ATOM 0 HG21 ILE A 71 1.358 -4.813 3.570 1.00 10.00 H new ATOM 0 HG22 ILE A 71 3.129 -4.685 3.695 1.00 10.00 H new ATOM 0 HG23 ILE A 71 2.112 -3.246 3.947 1.00 10.00 H new ATOM 0 HD11 ILE A 71 -0.850 -3.978 0.407 1.00 10.00 H new ATOM 0 HD12 ILE A 71 0.612 -4.872 -0.075 1.00 10.00 H new ATOM 0 HD13 ILE A 71 -0.124 -5.163 1.519 1.00 10.00 H new ATOM 1057 N GLU A 72 5.421 -3.958 2.639 1.00 10.00 N ATOM 1058 CA GLU A 72 6.537 -4.051 3.572 1.00 10.00 C ATOM 1059 C GLU A 72 7.760 -3.236 3.134 1.00 10.00 C ATOM 1060 O GLU A 72 8.483 -2.751 3.999 1.00 10.00 O ATOM 1061 CB GLU A 72 6.832 -5.515 3.933 1.00 10.00 C ATOM 1062 CG GLU A 72 7.374 -6.332 2.752 1.00 10.00 C ATOM 1063 CD GLU A 72 8.830 -6.753 2.889 1.00 10.00 C ATOM 1064 OE1 GLU A 72 9.679 -5.843 2.974 1.00 10.00 O ATOM 1065 OE2 GLU A 72 9.060 -7.980 2.890 1.00 10.00 O ATOM 0 H GLU A 72 5.298 -4.796 2.070 1.00 10.00 H new ATOM 0 HA GLU A 72 6.236 -3.569 4.502 1.00 10.00 H new ATOM 0 HB2 GLU A 72 7.555 -5.543 4.748 1.00 10.00 H new ATOM 0 HB3 GLU A 72 5.919 -5.983 4.301 1.00 10.00 H new ATOM 0 HG2 GLU A 72 6.761 -7.225 2.633 1.00 10.00 H new ATOM 0 HG3 GLU A 72 7.263 -5.745 1.840 1.00 10.00 H new ATOM 1072 N PHE A 73 7.933 -2.965 1.829 1.00 10.00 N ATOM 1073 CA PHE A 73 8.955 -2.025 1.359 1.00 10.00 C ATOM 1074 C PHE A 73 8.932 -0.725 2.172 1.00 10.00 C ATOM 1075 O PHE A 73 9.957 -0.254 2.660 1.00 10.00 O ATOM 1076 CB PHE A 73 8.746 -1.704 -0.127 1.00 10.00 C ATOM 1077 CG PHE A 73 9.907 -0.963 -0.754 1.00 10.00 C ATOM 1078 CD1 PHE A 73 10.094 0.412 -0.513 1.00 10.00 C ATOM 1079 CD2 PHE A 73 10.848 -1.672 -1.521 1.00 10.00 C ATOM 1080 CE1 PHE A 73 11.222 1.072 -1.032 1.00 10.00 C ATOM 1081 CE2 PHE A 73 11.969 -1.009 -2.049 1.00 10.00 C ATOM 1082 CZ PHE A 73 12.142 0.367 -1.827 1.00 10.00 C ATOM 0 H PHE A 73 7.377 -3.385 1.084 1.00 10.00 H new ATOM 0 HA PHE A 73 9.926 -2.501 1.494 1.00 10.00 H new ATOM 0 HB2 PHE A 73 8.582 -2.634 -0.672 1.00 10.00 H new ATOM 0 HB3 PHE A 73 7.841 -1.106 -0.238 1.00 10.00 H new ATOM 0 HD1 PHE A 73 9.370 0.960 0.071 1.00 10.00 H new ATOM 0 HD2 PHE A 73 10.709 -2.727 -1.705 1.00 10.00 H new ATOM 0 HE1 PHE A 73 11.381 2.119 -0.820 1.00 10.00 H new ATOM 0 HE2 PHE A 73 12.698 -1.558 -2.626 1.00 10.00 H new ATOM 0 HZ PHE A 73 12.982 0.883 -2.267 1.00 10.00 H new ATOM 1092 N MET A 74 7.740 -0.134 2.306 1.00 10.00 N ATOM 1093 CA MET A 74 7.557 1.089 3.067 1.00 10.00 C ATOM 1094 C MET A 74 7.708 0.877 4.583 1.00 10.00 C ATOM 1095 O MET A 74 8.332 1.697 5.255 1.00 10.00 O ATOM 1096 CB MET A 74 6.191 1.695 2.751 1.00 10.00 C ATOM 1097 CG MET A 74 6.094 2.401 1.392 1.00 10.00 C ATOM 1098 SD MET A 74 5.502 1.431 -0.019 1.00 10.00 S ATOM 1099 CE MET A 74 3.722 1.320 0.304 1.00 10.00 C ATOM 0 H MET A 74 6.882 -0.495 1.888 1.00 10.00 H new ATOM 0 HA MET A 74 8.347 1.777 2.767 1.00 10.00 H new ATOM 0 HB2 MET A 74 5.442 0.904 2.787 1.00 10.00 H new ATOM 0 HB3 MET A 74 5.937 2.410 3.534 1.00 10.00 H new ATOM 0 HG2 MET A 74 5.436 3.262 1.507 1.00 10.00 H new ATOM 0 HG3 MET A 74 7.083 2.787 1.143 1.00 10.00 H new ATOM 0 HE1 MET A 74 3.221 0.891 -0.563 1.00 10.00 H new ATOM 0 HE2 MET A 74 3.549 0.686 1.174 1.00 10.00 H new ATOM 0 HE3 MET A 74 3.324 2.316 0.496 1.00 10.00 H new ATOM 1109 N SER A 75 7.115 -0.186 5.139 1.00 10.00 N ATOM 1110 CA SER A 75 7.354 -0.549 6.539 1.00 10.00 C ATOM 1111 C SER A 75 7.133 -2.046 6.800 1.00 10.00 C ATOM 1112 O SER A 75 8.110 -2.773 6.949 1.00 10.00 O ATOM 1113 CB SER A 75 6.562 0.366 7.493 1.00 10.00 C ATOM 1114 OG SER A 75 7.278 0.589 8.694 1.00 10.00 O ATOM 0 H SER A 75 6.472 -0.805 4.645 1.00 10.00 H new ATOM 0 HA SER A 75 8.409 -0.377 6.752 1.00 10.00 H new ATOM 0 HB2 SER A 75 6.360 1.319 7.004 1.00 10.00 H new ATOM 0 HB3 SER A 75 5.597 -0.087 7.720 1.00 10.00 H new ATOM 0 HG SER A 75 6.756 1.174 9.282 1.00 10.00 H new ATOM 1120 N LYS A 76 5.865 -2.482 6.899 1.00 10.00 N ATOM 1121 CA LYS A 76 5.382 -3.824 7.225 1.00 10.00 C ATOM 1122 C LYS A 76 3.935 -3.782 7.761 1.00 10.00 C ATOM 1123 O LYS A 76 3.681 -4.240 8.872 1.00 10.00 O ATOM 1124 CB LYS A 76 6.342 -4.576 8.165 1.00 10.00 C ATOM 1125 CG LYS A 76 6.801 -3.802 9.421 1.00 10.00 C ATOM 1126 CD LYS A 76 8.327 -3.861 9.657 1.00 10.00 C ATOM 1127 CE LYS A 76 8.960 -2.476 9.904 1.00 10.00 C ATOM 1128 NZ LYS A 76 9.471 -2.331 11.282 1.00 10.00 N ATOM 0 H LYS A 76 5.087 -1.842 6.737 1.00 10.00 H new ATOM 0 HA LYS A 76 5.362 -4.399 6.299 1.00 10.00 H new ATOM 0 HB2 LYS A 76 5.857 -5.497 8.487 1.00 10.00 H new ATOM 0 HB3 LYS A 76 7.226 -4.863 7.596 1.00 10.00 H new ATOM 0 HG2 LYS A 76 6.496 -2.760 9.328 1.00 10.00 H new ATOM 0 HG3 LYS A 76 6.290 -4.207 10.295 1.00 10.00 H new ATOM 0 HD2 LYS A 76 8.531 -4.504 10.513 1.00 10.00 H new ATOM 0 HD3 LYS A 76 8.804 -4.322 8.792 1.00 10.00 H new ATOM 0 HE2 LYS A 76 9.776 -2.321 9.198 1.00 10.00 H new ATOM 0 HE3 LYS A 76 8.219 -1.701 9.710 1.00 10.00 H new ATOM 0 HZ1 LYS A 76 9.887 -1.385 11.400 1.00 10.00 H new ATOM 0 HZ2 LYS A 76 8.689 -2.452 11.957 1.00 10.00 H new ATOM 0 HZ3 LYS A 76 10.198 -3.053 11.461 1.00 10.00 H new ATOM 1142 N ALA A 77 2.989 -3.244 6.971 1.00 10.00 N ATOM 1143 CA ALA A 77 1.547 -3.271 7.253 1.00 10.00 C ATOM 1144 C ALA A 77 0.657 -2.711 6.126 1.00 10.00 C ATOM 1145 O ALA A 77 -0.028 -3.474 5.452 1.00 10.00 O ATOM 1146 CB ALA A 77 1.237 -2.569 8.572 1.00 10.00 C ATOM 0 H ALA A 77 3.214 -2.767 6.098 1.00 10.00 H new ATOM 0 HA ALA A 77 1.295 -4.329 7.327 1.00 10.00 H new ATOM 0 HB1 ALA A 77 0.164 -2.602 8.758 1.00 10.00 H new ATOM 0 HB2 ALA A 77 1.762 -3.072 9.384 1.00 10.00 H new ATOM 0 HB3 ALA A 77 1.564 -1.531 8.517 1.00 10.00 H new ATOM 1152 N LYS A 78 0.612 -1.381 5.989 1.00 10.00 N ATOM 1153 CA LYS A 78 -0.261 -0.658 5.058 1.00 10.00 C ATOM 1154 C LYS A 78 0.397 -0.221 3.726 1.00 10.00 C ATOM 1155 O LYS A 78 0.024 0.862 3.211 1.00 10.00 O ATOM 1156 CB LYS A 78 -0.903 0.534 5.783 1.00 10.00 C ATOM 1157 CG LYS A 78 0.099 1.643 6.133 1.00 10.00 C ATOM 1158 CD LYS A 78 -0.582 3.012 6.083 1.00 10.00 C ATOM 1159 CE LYS A 78 0.477 4.092 6.308 1.00 10.00 C ATOM 1160 NZ LYS A 78 1.129 4.485 5.035 1.00 10.00 N ATOM 1161 OXT LYS A 78 1.252 -0.973 3.218 1.00 10.00 O ATOM 0 H LYS A 78 1.202 -0.758 6.541 1.00 10.00 H new ATOM 0 HA LYS A 78 -1.022 -1.373 4.746 1.00 10.00 H new ATOM 0 HB2 LYS A 78 -1.691 0.951 5.155 1.00 10.00 H new ATOM 0 HB3 LYS A 78 -1.378 0.181 6.698 1.00 10.00 H new ATOM 0 HG2 LYS A 78 0.510 1.470 7.128 1.00 10.00 H new ATOM 0 HG3 LYS A 78 0.935 1.620 5.434 1.00 10.00 H new ATOM 0 HD2 LYS A 78 -1.071 3.156 5.120 1.00 10.00 H new ATOM 0 HD3 LYS A 78 -1.357 3.077 6.847 1.00 10.00 H new ATOM 0 HE2 LYS A 78 0.015 4.966 6.767 1.00 10.00 H new ATOM 0 HE3 LYS A 78 1.230 3.726 7.006 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 1.561 5.425 5.142 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 1.865 3.791 4.793 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 0.419 4.515 4.276 1.00 10.00 H new TER 1175 LYS A 78 HETATM 1176 FE HEC A 90 -3.720 3.460 -0.668 1.00 10.00 FE HETATM 1177 CHA HEC A 90 -5.497 3.788 2.334 1.00 10.00 C HETATM 1178 CHB HEC A 90 -2.006 0.739 0.617 1.00 10.00 C HETATM 1179 CHC HEC A 90 -2.269 3.028 -3.738 1.00 10.00 C HETATM 1180 CHD HEC A 90 -5.176 6.466 -1.742 1.00 10.00 C HETATM 1181 NA HEC A 90 -3.819 2.405 1.089 1.00 10.00 N HETATM 1182 C1A HEC A 90 -4.639 2.697 2.149 1.00 10.00 C HETATM 1183 C2A HEC A 90 -4.439 1.667 3.132 1.00 10.00 C HETATM 1184 C3A HEC A 90 -3.468 0.821 2.650 1.00 10.00 C HETATM 1185 C4A HEC A 90 -3.031 1.321 1.379 1.00 10.00 C HETATM 1186 CMA HEC A 90 -3.066 -0.498 3.228 1.00 10.00 C HETATM 1187 CAA HEC A 90 -5.154 1.556 4.453 1.00 10.00 C HETATM 1188 CBA HEC A 90 -4.570 2.464 5.540 1.00 10.00 C HETATM 1189 CGA HEC A 90 -5.334 2.303 6.842 1.00 10.00 C HETATM 1190 O1A HEC A 90 -5.365 3.285 7.611 1.00 10.00 O HETATM 1191 O2A HEC A 90 -5.838 1.184 7.087 1.00 10.00 O HETATM 1192 NB HEC A 90 -2.345 2.129 -1.415 1.00 10.00 N HETATM 1193 C1B HEC A 90 -1.764 1.126 -0.701 1.00 10.00 C HETATM 1194 C2B HEC A 90 -0.835 0.468 -1.575 1.00 10.00 C HETATM 1195 C3B HEC A 90 -0.988 1.029 -2.827 1.00 10.00 C HETATM 1196 C4B HEC A 90 -1.912 2.136 -2.703 1.00 10.00 C HETATM 1197 CMB HEC A 90 0.092 -0.651 -1.161 1.00 10.00 C HETATM 1198 CAB HEC A 90 -0.183 0.684 -4.053 1.00 10.00 C HETATM 1199 CBB HEC A 90 -0.266 -0.792 -4.480 1.00 10.00 C HETATM 1200 NC HEC A 90 -3.732 4.561 -2.443 1.00 10.00 N HETATM 1201 C1C HEC A 90 -3.094 4.159 -3.576 1.00 10.00 C HETATM 1202 C2C HEC A 90 -3.420 5.124 -4.610 1.00 10.00 C HETATM 1203 C3C HEC A 90 -4.211 6.105 -4.031 1.00 10.00 C HETATM 1204 C4C HEC A 90 -4.405 5.730 -2.650 1.00 10.00 C HETATM 1205 CMC HEC A 90 -2.976 5.061 -6.056 1.00 10.00 C HETATM 1206 CAC HEC A 90 -4.848 7.336 -4.671 1.00 10.00 C HETATM 1207 CBC HEC A 90 -5.154 7.245 -6.160 1.00 10.00 C HETATM 1208 ND HEC A 90 -5.054 4.906 0.175 1.00 10.00 N HETATM 1209 C1D HEC A 90 -5.464 6.042 -0.450 1.00 10.00 C HETATM 1210 C2D HEC A 90 -6.314 6.764 0.467 1.00 10.00 C HETATM 1211 C3D HEC A 90 -6.460 5.986 1.593 1.00 10.00 C HETATM 1212 C4D HEC A 90 -5.631 4.816 1.408 1.00 10.00 C HETATM 1213 CMD HEC A 90 -6.962 8.105 0.209 1.00 10.00 C HETATM 1214 CAD HEC A 90 -7.400 6.263 2.749 1.00 10.00 C HETATM 1215 CBD HEC A 90 -6.763 6.963 3.953 1.00 10.00 C HETATM 1216 CGD HEC A 90 -7.800 7.303 5.017 1.00 10.00 C HETATM 1217 O1D HEC A 90 -8.872 7.810 4.626 1.00 10.00 O HETATM 1218 O2D HEC A 90 -7.504 7.032 6.199 1.00 10.00 O HETATM 0 HMD3 HEC A 90 -6.191 8.851 0.019 1.00 10.00 H new HETATM 0 HMD2 HEC A 90 -7.618 8.031 -0.659 1.00 10.00 H new HETATM 0 HMD1 HEC A 90 -7.546 8.401 1.081 1.00 10.00 H new HETATM 0 HMC3 HEC A 90 -1.887 5.074 -6.103 1.00 10.00 H new HETATM 0 HMC2 HEC A 90 -3.348 4.143 -6.511 1.00 10.00 H new HETATM 0 HMC1 HEC A 90 -3.373 5.921 -6.596 1.00 10.00 H new HETATM 0 HMB3 HEC A 90 0.753 -0.301 -0.368 1.00 10.00 H new HETATM 0 HMB2 HEC A 90 -0.495 -1.494 -0.798 1.00 10.00 H new HETATM 0 HMB1 HEC A 90 0.687 -0.966 -2.018 1.00 10.00 H new HETATM 0 HMA3 HEC A 90 -2.711 -0.355 4.249 1.00 10.00 H new HETATM 0 HMA2 HEC A 90 -3.924 -1.170 3.233 1.00 10.00 H new HETATM 0 HMA1 HEC A 90 -2.269 -0.932 2.624 1.00 10.00 H new HETATM 0 HBD2 HEC A 90 -5.996 6.320 4.384 1.00 10.00 H new HETATM 0 HBD1 HEC A 90 -6.266 7.876 3.623 1.00 10.00 H new HETATM 0 HBC3 HEC A 90 -4.231 7.067 -6.711 1.00 10.00 H new HETATM 0 HBC2 HEC A 90 -5.848 6.423 -6.339 1.00 10.00 H new HETATM 0 HBC1 HEC A 90 -5.603 8.179 -6.497 1.00 10.00 H new HETATM 0 HBB3 HEC A 90 0.101 -1.426 -3.673 1.00 10.00 H new HETATM 0 HBB2 HEC A 90 -1.302 -1.049 -4.700 1.00 10.00 H new HETATM 0 HBB1 HEC A 90 0.344 -0.948 -5.370 1.00 10.00 H new HETATM 0 HBA2 HEC A 90 -3.519 2.222 5.697 1.00 10.00 H new HETATM 0 HBA1 HEC A 90 -4.612 3.503 5.214 1.00 10.00 H new HETATM 0 HAD2 HEC A 90 -8.225 6.876 2.387 1.00 10.00 H new HETATM 0 HAD1 HEC A 90 -7.828 5.318 3.083 1.00 10.00 H new HETATM 0 HAA2 HEC A 90 -6.206 1.803 4.310 1.00 10.00 H new HETATM 0 HAA1 HEC A 90 -5.113 0.521 4.794 1.00 10.00 H new HETATM 0 HHD HEC A 90 -5.573 7.427 -2.067 1.00 10.00 H new HETATM 0 HHC HEC A 90 -1.878 2.827 -4.735 1.00 10.00 H new HETATM 0 HHB HEC A 90 -1.384 -0.035 1.066 1.00 10.00 H new HETATM 0 HHA HEC A 90 -6.088 3.833 3.248 1.00 10.00 H new HETATM 0 H2D HEC A 90 -8.125 7.488 6.805 1.00 10.00 H new HETATM 0 H2A HEC A 90 -6.782 1.296 7.326 1.00 10.00 H new