USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 691 hydrogens (30 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 39 HIS HE2 : A 39 HIS NE2 : A 95 HEMFE :(H bumps) USER MOD NoAdj-H: A 63 HIS HE2 : A 63 HIS NE2 : A 95 HEMFE :(H bumps) USER MOD Set 1.1: A 49 GLN :FLIP amide:sc= -0.215 F(o=-3.1,f=-0.44) USER MOD Set 1.2: A 57 ASN : amide:sc= -0.22 X(o=-0.44,f=-0.52) USER MOD Set 2.1: A 35 TYR OH : rot 30:sc= -2.14 USER MOD Set 2.2: A 95 HEM CMA :methyl -30:sc= -0.548 (180deg=-1.73!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot -15:sc= -1.84 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.125 USER MOD Single : A 13 GLN : amide:sc= -0.105 K(o=-0.1,f=-1.9!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HE2:sc= -4.82! C(o=-4.8!,f=-5.8!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 62:sc= 1.17 USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 HIS : no HD1:sc= -0.0228 X(o=-0.023,f=-0.023) USER MOD Single : A 28 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.329) USER MOD Single : A 30 TYR OH : rot 180:sc= -0.0891 USER MOD Single : A 33 THR OG1 : rot 123:sc= 1.16 USER MOD Single : A 34 LYS NZ :NH3+ -158:sc= -0.0209 (180deg=-0.354) USER MOD Single : A 55 THR OG1 : rot 56:sc= 0.7 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -63:sc= 0.822 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot -79:sc= -1.21 USER MOD Single : A 80 HIS : no HD1:sc= -0.493 X(o=-0.49,f=-0.22) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 HEM CMB :methyl 150:sc= -2! (180deg=-2!) USER MOD Single : A 95 HEM CMC :methyl -30:sc= -3.76! (180deg=-6.18!) USER MOD Single : A 95 HEM CMD :methyl -30:sc= -10.3! (180deg=-13.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 4 2.982 -0.214 -7.184 1.00 0.00 N ATOM 2 CA VAL A 4 3.630 0.988 -7.680 1.00 0.00 C ATOM 3 C VAL A 4 2.575 2.074 -7.908 1.00 0.00 C ATOM 4 O VAL A 4 1.377 1.800 -7.856 1.00 0.00 O ATOM 5 CB VAL A 4 4.437 0.665 -8.939 1.00 0.00 C ATOM 6 CG1 VAL A 4 3.568 0.781 -10.193 1.00 0.00 C ATOM 7 CG2 VAL A 4 5.672 1.561 -9.043 1.00 0.00 C ATOM 0 HA VAL A 4 4.338 1.372 -6.945 1.00 0.00 H new ATOM 0 HB VAL A 4 4.778 -0.368 -8.863 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.166 0.546 -11.073 1.00 0.00 H new ATOM 0 HG12 VAL A 4 2.734 0.082 -10.124 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.183 1.797 -10.276 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.228 1.311 -9.947 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.362 2.605 -9.085 1.00 0.00 H new ATOM 0 HG23 VAL A 4 6.308 1.407 -8.171 1.00 0.00 H new ATOM 17 N LYS A 5 3.060 3.281 -8.156 1.00 0.00 N ATOM 18 CA LYS A 5 2.174 4.409 -8.392 1.00 0.00 C ATOM 19 C LYS A 5 2.266 4.824 -9.862 1.00 0.00 C ATOM 20 O LYS A 5 3.338 5.185 -10.343 1.00 0.00 O ATOM 21 CB LYS A 5 2.479 5.543 -7.412 1.00 0.00 C ATOM 22 CG LYS A 5 1.247 6.425 -7.194 1.00 0.00 C ATOM 23 CD LYS A 5 0.136 5.648 -6.485 1.00 0.00 C ATOM 24 CE LYS A 5 -0.973 5.259 -7.465 1.00 0.00 C ATOM 25 NZ LYS A 5 -1.995 6.327 -7.540 1.00 0.00 N ATOM 0 H LYS A 5 4.055 3.503 -8.199 1.00 0.00 H new ATOM 0 HA LYS A 5 1.138 4.127 -8.204 1.00 0.00 H new ATOM 0 HB2 LYS A 5 2.806 5.127 -6.459 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.301 6.148 -7.795 1.00 0.00 H new ATOM 0 HG2 LYS A 5 1.520 7.298 -6.601 1.00 0.00 H new ATOM 0 HG3 LYS A 5 0.884 6.792 -8.154 1.00 0.00 H new ATOM 0 HD2 LYS A 5 0.551 4.751 -6.025 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -0.281 6.255 -5.681 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -0.548 5.084 -8.453 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -1.437 4.325 -7.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -2.741 6.048 -8.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.412 6.475 -6.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -1.551 7.210 -7.865 1.00 0.00 H new ATOM 39 N TYR A 6 1.125 4.759 -10.534 1.00 0.00 N ATOM 40 CA TYR A 6 1.063 5.124 -11.938 1.00 0.00 C ATOM 41 C TYR A 6 0.505 6.538 -12.114 1.00 0.00 C ATOM 42 O TYR A 6 -0.684 6.771 -11.896 1.00 0.00 O ATOM 43 CB TYR A 6 0.105 4.126 -12.591 1.00 0.00 C ATOM 44 CG TYR A 6 0.576 2.672 -12.519 1.00 0.00 C ATOM 45 CD1 TYR A 6 1.843 2.336 -12.952 1.00 0.00 C ATOM 46 CD2 TYR A 6 -0.265 1.697 -12.023 1.00 0.00 C ATOM 47 CE1 TYR A 6 2.287 0.967 -12.884 1.00 0.00 C ATOM 48 CE2 TYR A 6 0.179 0.329 -11.956 1.00 0.00 C ATOM 49 CZ TYR A 6 1.434 0.031 -12.390 1.00 0.00 C ATOM 50 OH TYR A 6 1.853 -1.261 -12.326 1.00 0.00 O ATOM 0 H TYR A 6 0.237 4.459 -10.131 1.00 0.00 H new ATOM 0 HA TYR A 6 2.057 5.103 -12.384 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -0.870 4.206 -12.110 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -0.033 4.401 -13.637 1.00 0.00 H new ATOM 0 HD1 TYR A 6 2.501 3.099 -13.341 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -1.256 1.960 -11.685 1.00 0.00 H new ATOM 0 HE1 TYR A 6 3.276 0.690 -13.218 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -0.469 -0.444 -11.570 1.00 0.00 H new ATOM 0 HH TYR A 6 1.139 -1.818 -11.951 1.00 0.00 H new ATOM 60 N TYR A 7 1.389 7.444 -12.504 1.00 0.00 N ATOM 61 CA TYR A 7 0.999 8.828 -12.711 1.00 0.00 C ATOM 62 C TYR A 7 0.770 9.118 -14.196 1.00 0.00 C ATOM 63 O TYR A 7 1.317 8.431 -15.058 1.00 0.00 O ATOM 64 CB TYR A 7 2.172 9.675 -12.215 1.00 0.00 C ATOM 65 CG TYR A 7 2.695 9.265 -10.836 1.00 0.00 C ATOM 66 CD1 TYR A 7 1.874 9.355 -9.731 1.00 0.00 C ATOM 67 CD2 TYR A 7 3.990 8.805 -10.698 1.00 0.00 C ATOM 68 CE1 TYR A 7 2.366 8.969 -8.434 1.00 0.00 C ATOM 69 CE2 TYR A 7 4.482 8.419 -9.401 1.00 0.00 C ATOM 70 CZ TYR A 7 3.646 8.521 -8.333 1.00 0.00 C ATOM 71 OH TYR A 7 4.111 8.156 -7.108 1.00 0.00 O ATOM 0 H TYR A 7 2.374 7.247 -12.682 1.00 0.00 H new ATOM 0 HA TYR A 7 0.071 9.047 -12.183 1.00 0.00 H new ATOM 0 HB2 TYR A 7 2.986 9.607 -12.936 1.00 0.00 H new ATOM 0 HB3 TYR A 7 1.863 10.720 -12.180 1.00 0.00 H new ATOM 0 HD1 TYR A 7 0.862 9.715 -9.839 1.00 0.00 H new ATOM 0 HD2 TYR A 7 4.633 8.735 -11.563 1.00 0.00 H new ATOM 0 HE1 TYR A 7 1.733 9.034 -7.561 1.00 0.00 H new ATOM 0 HE2 TYR A 7 5.492 8.057 -9.279 1.00 0.00 H new ATOM 0 HH TYR A 7 3.509 8.497 -6.414 1.00 0.00 H new ATOM 81 N THR A 8 -0.039 10.135 -14.450 1.00 0.00 N ATOM 82 CA THR A 8 -0.347 10.524 -15.816 1.00 0.00 C ATOM 83 C THR A 8 0.731 11.464 -16.359 1.00 0.00 C ATOM 84 O THR A 8 1.267 12.292 -15.623 1.00 0.00 O ATOM 85 CB THR A 8 -1.750 11.136 -15.829 1.00 0.00 C ATOM 86 OG1 THR A 8 -1.822 11.862 -14.605 1.00 0.00 O ATOM 87 CG2 THR A 8 -2.849 10.080 -15.701 1.00 0.00 C ATOM 0 H THR A 8 -0.491 10.702 -13.733 1.00 0.00 H new ATOM 0 HA THR A 8 -0.347 9.661 -16.482 1.00 0.00 H new ATOM 0 HB THR A 8 -1.893 11.699 -16.751 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.699 12.293 -14.531 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.824 10.566 -15.715 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.780 9.380 -16.534 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.727 9.540 -14.762 1.00 0.00 H new ATOM 95 N LEU A 9 1.017 11.306 -17.642 1.00 0.00 N ATOM 96 CA LEU A 9 2.022 12.131 -18.292 1.00 0.00 C ATOM 97 C LEU A 9 1.757 13.602 -17.965 1.00 0.00 C ATOM 98 O LEU A 9 2.660 14.433 -18.053 1.00 0.00 O ATOM 99 CB LEU A 9 2.071 11.834 -19.793 1.00 0.00 C ATOM 100 CG LEU A 9 1.217 12.738 -20.683 1.00 0.00 C ATOM 101 CD1 LEU A 9 1.560 12.535 -22.160 1.00 0.00 C ATOM 102 CD2 LEU A 9 -0.274 12.531 -20.408 1.00 0.00 C ATOM 0 H LEU A 9 0.571 10.619 -18.250 1.00 0.00 H new ATOM 0 HA LEU A 9 3.015 11.893 -17.911 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.107 11.906 -20.124 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.757 10.802 -19.950 1.00 0.00 H new ATOM 0 HG LEU A 9 1.448 13.774 -20.437 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.939 13.190 -22.771 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.611 12.773 -22.326 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.376 11.497 -22.437 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.858 13.186 -21.055 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.540 11.493 -20.608 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.488 12.766 -19.365 1.00 0.00 H new ATOM 114 N GLU A 10 0.516 13.878 -17.596 1.00 0.00 N ATOM 115 CA GLU A 10 0.121 15.235 -17.255 1.00 0.00 C ATOM 116 C GLU A 10 0.884 15.715 -16.019 1.00 0.00 C ATOM 117 O GLU A 10 1.180 16.901 -15.890 1.00 0.00 O ATOM 118 CB GLU A 10 -1.391 15.328 -17.038 1.00 0.00 C ATOM 119 CG GLU A 10 -2.045 16.212 -18.101 1.00 0.00 C ATOM 120 CD GLU A 10 -3.336 15.579 -18.622 1.00 0.00 C ATOM 121 OE1 GLU A 10 -3.262 14.405 -19.043 1.00 0.00 O ATOM 122 OE2 GLU A 10 -4.368 16.284 -18.588 1.00 0.00 O ATOM 0 H GLU A 10 -0.230 13.186 -17.525 1.00 0.00 H new ATOM 0 HA GLU A 10 0.375 15.888 -18.090 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.829 14.330 -17.071 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.595 15.733 -16.047 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.261 17.194 -17.680 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.352 16.366 -18.928 1.00 0.00 H new ATOM 129 N GLU A 11 1.180 14.768 -15.141 1.00 0.00 N ATOM 130 CA GLU A 11 1.901 15.080 -13.919 1.00 0.00 C ATOM 131 C GLU A 11 3.286 15.639 -14.249 1.00 0.00 C ATOM 132 O GLU A 11 3.512 16.845 -14.150 1.00 0.00 O ATOM 133 CB GLU A 11 2.009 13.848 -13.017 1.00 0.00 C ATOM 134 CG GLU A 11 1.313 14.088 -11.676 1.00 0.00 C ATOM 135 CD GLU A 11 0.053 13.229 -11.552 1.00 0.00 C ATOM 136 OE1 GLU A 11 0.216 12.016 -11.299 1.00 0.00 O ATOM 137 OE2 GLU A 11 -1.045 13.804 -11.714 1.00 0.00 O ATOM 0 H GLU A 11 0.934 13.784 -15.252 1.00 0.00 H new ATOM 0 HA GLU A 11 1.343 15.841 -13.375 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.561 12.988 -13.515 1.00 0.00 H new ATOM 0 HB3 GLU A 11 3.059 13.607 -12.848 1.00 0.00 H new ATOM 0 HG2 GLU A 11 1.998 13.856 -10.860 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.050 15.142 -11.582 1.00 0.00 H new ATOM 144 N ILE A 12 4.178 14.739 -14.635 1.00 0.00 N ATOM 145 CA ILE A 12 5.534 15.128 -14.980 1.00 0.00 C ATOM 146 C ILE A 12 5.517 16.530 -15.595 1.00 0.00 C ATOM 147 O ILE A 12 6.370 17.359 -15.282 1.00 0.00 O ATOM 148 CB ILE A 12 6.184 14.072 -15.877 1.00 0.00 C ATOM 149 CG1 ILE A 12 5.123 13.240 -16.601 1.00 0.00 C ATOM 150 CG2 ILE A 12 7.153 13.197 -15.080 1.00 0.00 C ATOM 151 CD1 ILE A 12 4.854 11.929 -15.858 1.00 0.00 C ATOM 0 H ILE A 12 3.988 13.740 -14.716 1.00 0.00 H new ATOM 0 HA ILE A 12 6.154 15.178 -14.085 1.00 0.00 H new ATOM 0 HB ILE A 12 6.768 14.585 -16.641 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.199 13.813 -16.682 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.455 13.025 -17.617 1.00 0.00 H new ATOM 0 HG21 ILE A 12 7.601 12.455 -15.741 1.00 0.00 H new ATOM 0 HG22 ILE A 12 7.937 13.821 -14.650 1.00 0.00 H new ATOM 0 HG23 ILE A 12 6.612 12.691 -14.280 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.096 11.356 -16.393 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.774 11.348 -15.800 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.499 12.148 -14.851 1.00 0.00 H new ATOM 163 N GLN A 13 4.537 16.750 -16.459 1.00 0.00 N ATOM 164 CA GLN A 13 4.398 18.037 -17.120 1.00 0.00 C ATOM 165 C GLN A 13 4.272 19.155 -16.083 1.00 0.00 C ATOM 166 O GLN A 13 5.212 19.920 -15.873 1.00 0.00 O ATOM 167 CB GLN A 13 3.202 18.037 -18.074 1.00 0.00 C ATOM 168 CG GLN A 13 3.601 17.503 -19.452 1.00 0.00 C ATOM 169 CD GLN A 13 4.063 18.640 -20.367 1.00 0.00 C ATOM 170 OE1 GLN A 13 4.097 19.800 -19.990 1.00 0.00 O ATOM 171 NE2 GLN A 13 4.415 18.244 -21.586 1.00 0.00 N ATOM 0 H GLN A 13 3.832 16.059 -16.717 1.00 0.00 H new ATOM 0 HA GLN A 13 5.294 18.218 -17.714 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.402 17.424 -17.660 1.00 0.00 H new ATOM 0 HB3 GLN A 13 2.810 19.049 -18.172 1.00 0.00 H new ATOM 0 HG2 GLN A 13 4.400 16.770 -19.345 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.754 16.987 -19.905 1.00 0.00 H new ATOM 0 HE21 GLN A 13 4.363 17.257 -21.836 1.00 0.00 H new ATOM 0 HE22 GLN A 13 4.738 18.927 -22.271 1.00 0.00 H new ATOM 180 N LYS A 14 3.102 19.215 -15.464 1.00 0.00 N ATOM 181 CA LYS A 14 2.841 20.226 -14.454 1.00 0.00 C ATOM 182 C LYS A 14 3.964 20.207 -13.415 1.00 0.00 C ATOM 183 O LYS A 14 4.252 21.224 -12.787 1.00 0.00 O ATOM 184 CB LYS A 14 1.447 20.038 -13.855 1.00 0.00 C ATOM 185 CG LYS A 14 1.289 18.638 -13.261 1.00 0.00 C ATOM 186 CD LYS A 14 -0.163 18.372 -12.859 1.00 0.00 C ATOM 187 CE LYS A 14 -1.070 18.308 -14.090 1.00 0.00 C ATOM 188 NZ LYS A 14 -2.132 19.336 -14.004 1.00 0.00 N ATOM 0 H LYS A 14 2.324 18.580 -15.643 1.00 0.00 H new ATOM 0 HA LYS A 14 2.839 21.219 -14.903 1.00 0.00 H new ATOM 0 HB2 LYS A 14 1.276 20.786 -13.081 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.692 20.197 -14.625 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.611 17.892 -13.988 1.00 0.00 H new ATOM 0 HG3 LYS A 14 1.936 18.534 -12.390 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.225 17.434 -12.308 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.509 19.159 -12.189 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.479 18.461 -14.993 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.519 17.318 -14.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.739 19.279 -14.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.706 19.172 -13.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.698 20.280 -13.953 1.00 0.00 H new ATOM 202 N HIS A 15 4.569 19.037 -13.266 1.00 0.00 N ATOM 203 CA HIS A 15 5.655 18.871 -12.315 1.00 0.00 C ATOM 204 C HIS A 15 6.994 19.094 -13.020 1.00 0.00 C ATOM 205 O HIS A 15 7.925 18.306 -12.856 1.00 0.00 O ATOM 206 CB HIS A 15 5.567 17.509 -11.624 1.00 0.00 C ATOM 207 CG HIS A 15 4.252 17.256 -10.927 1.00 0.00 C ATOM 208 ND1 HIS A 15 3.733 18.114 -9.972 1.00 0.00 N ATOM 209 CD2 HIS A 15 3.356 16.237 -11.056 1.00 0.00 C ATOM 210 CE1 HIS A 15 2.577 17.621 -9.552 1.00 0.00 C ATOM 211 NE2 HIS A 15 2.345 16.458 -10.225 1.00 0.00 N ATOM 0 H HIS A 15 4.327 18.195 -13.788 1.00 0.00 H new ATOM 0 HA HIS A 15 5.571 19.619 -11.527 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.730 16.726 -12.365 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.374 17.431 -10.895 1.00 0.00 H new ATOM 0 HD1 HIS A 15 4.167 18.978 -9.647 1.00 0.00 H new ATOM 0 HD2 HIS A 15 3.452 15.392 -11.722 1.00 0.00 H new ATOM 0 HE1 HIS A 15 1.932 18.063 -8.807 1.00 0.00 H new ATOM 219 N LYS A 16 7.049 20.171 -13.791 1.00 0.00 N ATOM 220 CA LYS A 16 8.259 20.507 -14.521 1.00 0.00 C ATOM 221 C LYS A 16 8.890 21.757 -13.905 1.00 0.00 C ATOM 222 O LYS A 16 9.564 22.521 -14.595 1.00 0.00 O ATOM 223 CB LYS A 16 7.962 20.641 -16.016 1.00 0.00 C ATOM 224 CG LYS A 16 9.253 20.815 -16.818 1.00 0.00 C ATOM 225 CD LYS A 16 9.189 22.066 -17.696 1.00 0.00 C ATOM 226 CE LYS A 16 10.499 22.853 -17.626 1.00 0.00 C ATOM 227 NZ LYS A 16 10.934 23.258 -18.982 1.00 0.00 N ATOM 0 H LYS A 16 6.275 20.822 -13.926 1.00 0.00 H new ATOM 0 HA LYS A 16 8.992 19.704 -14.435 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.429 19.757 -16.365 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.307 21.495 -16.185 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.101 20.887 -16.137 1.00 0.00 H new ATOM 0 HG3 LYS A 16 9.419 19.937 -17.442 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.987 21.780 -18.728 1.00 0.00 H new ATOM 0 HD3 LYS A 16 8.363 22.699 -17.373 1.00 0.00 H new ATOM 0 HE2 LYS A 16 10.366 23.736 -17.001 1.00 0.00 H new ATOM 0 HE3 LYS A 16 11.271 22.244 -17.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 11.825 23.791 -18.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 11.080 22.411 -19.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.203 23.857 -19.417 1.00 0.00 H new ATOM 241 N ASP A 17 8.650 21.928 -12.614 1.00 0.00 N ATOM 242 CA ASP A 17 9.187 23.072 -11.898 1.00 0.00 C ATOM 243 C ASP A 17 9.964 22.584 -10.673 1.00 0.00 C ATOM 244 O ASP A 17 9.901 21.407 -10.324 1.00 0.00 O ATOM 245 CB ASP A 17 8.065 23.992 -11.409 1.00 0.00 C ATOM 246 CG ASP A 17 8.475 25.450 -11.189 1.00 0.00 C ATOM 247 OD1 ASP A 17 9.071 26.020 -12.128 1.00 0.00 O ATOM 248 OD2 ASP A 17 8.182 25.960 -10.087 1.00 0.00 O ATOM 0 H ASP A 17 8.090 21.293 -12.045 1.00 0.00 H new ATOM 0 HA ASP A 17 9.835 23.622 -12.580 1.00 0.00 H new ATOM 0 HB2 ASP A 17 7.251 23.964 -12.133 1.00 0.00 H new ATOM 0 HB3 ASP A 17 7.672 23.595 -10.473 1.00 0.00 H new ATOM 253 N SER A 18 10.679 23.513 -10.056 1.00 0.00 N ATOM 254 CA SER A 18 11.467 23.192 -8.879 1.00 0.00 C ATOM 255 C SER A 18 10.580 22.539 -7.817 1.00 0.00 C ATOM 256 O SER A 18 10.933 21.500 -7.262 1.00 0.00 O ATOM 257 CB SER A 18 12.143 24.442 -8.311 1.00 0.00 C ATOM 258 OG SER A 18 13.372 24.731 -8.971 1.00 0.00 O ATOM 0 H SER A 18 10.729 24.489 -10.349 1.00 0.00 H new ATOM 0 HA SER A 18 12.248 22.491 -9.172 1.00 0.00 H new ATOM 0 HB2 SER A 18 11.470 25.294 -8.409 1.00 0.00 H new ATOM 0 HB3 SER A 18 12.328 24.302 -7.246 1.00 0.00 H new ATOM 0 HG SER A 18 13.771 25.536 -8.581 1.00 0.00 H new ATOM 264 N LYS A 19 9.446 23.176 -7.566 1.00 0.00 N ATOM 265 CA LYS A 19 8.505 22.670 -6.581 1.00 0.00 C ATOM 266 C LYS A 19 8.387 21.152 -6.728 1.00 0.00 C ATOM 267 O LYS A 19 8.633 20.412 -5.777 1.00 0.00 O ATOM 268 CB LYS A 19 7.168 23.405 -6.691 1.00 0.00 C ATOM 269 CG LYS A 19 6.212 22.972 -5.577 1.00 0.00 C ATOM 270 CD LYS A 19 5.037 23.945 -5.454 1.00 0.00 C ATOM 271 CE LYS A 19 3.703 23.222 -5.650 1.00 0.00 C ATOM 272 NZ LYS A 19 3.252 23.338 -7.054 1.00 0.00 N ATOM 0 H LYS A 19 9.157 24.038 -8.028 1.00 0.00 H new ATOM 0 HA LYS A 19 8.867 22.865 -5.572 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.334 24.481 -6.635 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.716 23.203 -7.662 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.838 21.969 -5.783 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.749 22.924 -4.630 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.056 24.421 -4.474 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.137 24.738 -6.196 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.810 22.171 -5.382 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.951 23.646 -4.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.345 22.842 -7.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.131 24.342 -7.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.962 22.912 -7.683 1.00 0.00 H new ATOM 286 N SER A 20 8.009 20.733 -7.927 1.00 0.00 N ATOM 287 CA SER A 20 7.855 19.317 -8.211 1.00 0.00 C ATOM 288 C SER A 20 8.607 18.955 -9.493 1.00 0.00 C ATOM 289 O SER A 20 8.048 19.032 -10.586 1.00 0.00 O ATOM 290 CB SER A 20 6.378 18.938 -8.336 1.00 0.00 C ATOM 291 OG SER A 20 5.696 19.027 -7.088 1.00 0.00 O ATOM 0 H SER A 20 7.805 21.350 -8.713 1.00 0.00 H new ATOM 0 HA SER A 20 8.277 18.753 -7.379 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.895 19.594 -9.060 1.00 0.00 H new ATOM 0 HB3 SER A 20 6.296 17.922 -8.722 1.00 0.00 H new ATOM 0 HG SER A 20 4.756 18.779 -7.211 1.00 0.00 H new ATOM 297 N THR A 21 9.861 18.569 -9.317 1.00 0.00 N ATOM 298 CA THR A 21 10.695 18.194 -10.447 1.00 0.00 C ATOM 299 C THR A 21 10.688 16.676 -10.635 1.00 0.00 C ATOM 300 O THR A 21 11.242 15.943 -9.818 1.00 0.00 O ATOM 301 CB THR A 21 12.093 18.771 -10.214 1.00 0.00 C ATOM 302 OG1 THR A 21 11.997 20.114 -10.680 1.00 0.00 O ATOM 303 CG2 THR A 21 13.147 18.136 -11.123 1.00 0.00 C ATOM 0 H THR A 21 10.321 18.507 -8.409 1.00 0.00 H new ATOM 0 HA THR A 21 10.308 18.607 -11.379 1.00 0.00 H new ATOM 0 HB THR A 21 12.377 18.625 -9.172 1.00 0.00 H new ATOM 0 HG1 THR A 21 11.330 20.597 -10.150 1.00 0.00 H new ATOM 0 HG21 THR A 21 14.121 18.581 -10.917 1.00 0.00 H new ATOM 0 HG22 THR A 21 13.191 17.063 -10.935 1.00 0.00 H new ATOM 0 HG23 THR A 21 12.881 18.311 -12.166 1.00 0.00 H new ATOM 311 N TRP A 22 10.056 16.250 -11.718 1.00 0.00 N ATOM 312 CA TRP A 22 9.969 14.831 -12.025 1.00 0.00 C ATOM 313 C TRP A 22 10.684 14.592 -13.356 1.00 0.00 C ATOM 314 O TRP A 22 10.881 15.522 -14.136 1.00 0.00 O ATOM 315 CB TRP A 22 8.513 14.361 -12.035 1.00 0.00 C ATOM 316 CG TRP A 22 7.976 13.972 -10.657 1.00 0.00 C ATOM 317 CD1 TRP A 22 8.498 14.257 -9.457 1.00 0.00 C ATOM 318 CD2 TRP A 22 6.780 13.210 -10.385 1.00 0.00 C ATOM 319 NE1 TRP A 22 7.731 13.736 -8.434 1.00 0.00 N ATOM 320 CE2 TRP A 22 6.653 13.080 -9.017 1.00 0.00 C ATOM 321 CE3 TRP A 22 5.837 12.650 -11.264 1.00 0.00 C ATOM 322 CZ2 TRP A 22 5.596 12.393 -8.407 1.00 0.00 C ATOM 323 CZ3 TRP A 22 4.788 11.967 -10.640 1.00 0.00 C ATOM 324 CH2 TRP A 22 4.645 11.827 -9.264 1.00 0.00 C ATOM 0 H TRP A 22 9.599 16.862 -12.394 1.00 0.00 H new ATOM 0 HA TRP A 22 10.461 14.238 -11.254 1.00 0.00 H new ATOM 0 HB2 TRP A 22 7.889 15.154 -12.446 1.00 0.00 H new ATOM 0 HB3 TRP A 22 8.423 13.505 -12.704 1.00 0.00 H new ATOM 0 HD1 TRP A 22 9.405 14.823 -9.308 1.00 0.00 H new ATOM 0 HE1 TRP A 22 7.920 13.817 -7.435 1.00 0.00 H new ATOM 0 HE3 TRP A 22 5.916 12.740 -12.337 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 5.519 12.305 -7.333 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 4.036 11.517 -11.271 1.00 0.00 H new ATOM 0 HH2 TRP A 22 3.804 11.284 -8.858 1.00 0.00 H new ATOM 335 N VAL A 23 11.055 13.338 -13.574 1.00 0.00 N ATOM 336 CA VAL A 23 11.744 12.963 -14.797 1.00 0.00 C ATOM 337 C VAL A 23 11.513 11.476 -15.073 1.00 0.00 C ATOM 338 O VAL A 23 11.795 10.633 -14.223 1.00 0.00 O ATOM 339 CB VAL A 23 13.226 13.331 -14.695 1.00 0.00 C ATOM 340 CG1 VAL A 23 13.893 12.595 -13.531 1.00 0.00 C ATOM 341 CG2 VAL A 23 13.952 13.047 -16.012 1.00 0.00 C ATOM 0 H VAL A 23 10.891 12.569 -12.924 1.00 0.00 H new ATOM 0 HA VAL A 23 11.343 13.516 -15.647 1.00 0.00 H new ATOM 0 HB VAL A 23 13.295 14.401 -14.499 1.00 0.00 H new ATOM 0 HG11 VAL A 23 14.946 12.873 -13.480 1.00 0.00 H new ATOM 0 HG12 VAL A 23 13.400 12.867 -12.598 1.00 0.00 H new ATOM 0 HG13 VAL A 23 13.809 11.519 -13.685 1.00 0.00 H new ATOM 0 HG21 VAL A 23 15.003 13.317 -15.913 1.00 0.00 H new ATOM 0 HG22 VAL A 23 13.871 11.987 -16.251 1.00 0.00 H new ATOM 0 HG23 VAL A 23 13.500 13.635 -16.811 1.00 0.00 H new ATOM 351 N ILE A 24 11.002 11.201 -16.263 1.00 0.00 N ATOM 352 CA ILE A 24 10.730 9.830 -16.661 1.00 0.00 C ATOM 353 C ILE A 24 12.054 9.100 -16.899 1.00 0.00 C ATOM 354 O ILE A 24 12.800 9.442 -17.816 1.00 0.00 O ATOM 355 CB ILE A 24 9.786 9.799 -17.865 1.00 0.00 C ATOM 356 CG1 ILE A 24 8.458 10.486 -17.539 1.00 0.00 C ATOM 357 CG2 ILE A 24 9.583 8.367 -18.366 1.00 0.00 C ATOM 358 CD1 ILE A 24 7.830 11.089 -18.797 1.00 0.00 C ATOM 0 H ILE A 24 10.769 11.903 -16.965 1.00 0.00 H new ATOM 0 HA ILE A 24 10.211 9.298 -15.864 1.00 0.00 H new ATOM 0 HB ILE A 24 10.249 10.361 -18.676 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.771 9.766 -17.095 1.00 0.00 H new ATOM 0 HG13 ILE A 24 8.622 11.269 -16.799 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.908 8.373 -19.222 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.543 7.946 -18.664 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.153 7.760 -17.569 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.887 11.571 -18.538 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.509 11.826 -19.225 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.645 10.300 -19.526 1.00 0.00 H new ATOM 370 N LEU A 25 12.305 8.108 -16.057 1.00 0.00 N ATOM 371 CA LEU A 25 13.526 7.327 -16.164 1.00 0.00 C ATOM 372 C LEU A 25 13.171 5.841 -16.234 1.00 0.00 C ATOM 373 O LEU A 25 12.351 5.357 -15.456 1.00 0.00 O ATOM 374 CB LEU A 25 14.487 7.677 -15.026 1.00 0.00 C ATOM 375 CG LEU A 25 15.651 8.600 -15.391 1.00 0.00 C ATOM 376 CD1 LEU A 25 15.169 9.782 -16.235 1.00 0.00 C ATOM 377 CD2 LEU A 25 16.400 9.059 -14.138 1.00 0.00 C ATOM 0 H LEU A 25 11.684 7.827 -15.298 1.00 0.00 H new ATOM 0 HA LEU A 25 14.056 7.572 -17.084 1.00 0.00 H new ATOM 0 HB2 LEU A 25 13.915 8.146 -14.225 1.00 0.00 H new ATOM 0 HB3 LEU A 25 14.896 6.750 -14.625 1.00 0.00 H new ATOM 0 HG LEU A 25 16.357 8.035 -16.000 1.00 0.00 H new ATOM 0 HD11 LEU A 25 16.016 10.423 -16.481 1.00 0.00 H new ATOM 0 HD12 LEU A 25 14.715 9.412 -17.154 1.00 0.00 H new ATOM 0 HD13 LEU A 25 14.432 10.355 -15.672 1.00 0.00 H new ATOM 0 HD21 LEU A 25 17.223 9.714 -14.425 1.00 0.00 H new ATOM 0 HD22 LEU A 25 15.717 9.600 -13.484 1.00 0.00 H new ATOM 0 HD23 LEU A 25 16.795 8.190 -13.611 1.00 0.00 H new ATOM 389 N HIS A 26 13.805 5.158 -17.176 1.00 0.00 N ATOM 390 CA HIS A 26 13.567 3.736 -17.358 1.00 0.00 C ATOM 391 C HIS A 26 12.085 3.431 -17.131 1.00 0.00 C ATOM 392 O HIS A 26 11.740 2.400 -16.556 1.00 0.00 O ATOM 393 CB HIS A 26 14.487 2.911 -16.458 1.00 0.00 C ATOM 394 CG HIS A 26 15.933 3.343 -16.496 1.00 0.00 C ATOM 395 ND1 HIS A 26 16.674 3.382 -17.664 1.00 0.00 N ATOM 396 CD2 HIS A 26 16.767 3.755 -15.498 1.00 0.00 C ATOM 397 CE1 HIS A 26 17.896 3.798 -17.371 1.00 0.00 C ATOM 398 NE2 HIS A 26 17.953 4.029 -16.028 1.00 0.00 N ATOM 0 H HIS A 26 14.483 5.563 -17.821 1.00 0.00 H new ATOM 0 HA HIS A 26 13.808 3.452 -18.382 1.00 0.00 H new ATOM 0 HB2 HIS A 26 14.126 2.975 -15.431 1.00 0.00 H new ATOM 0 HB3 HIS A 26 14.424 1.864 -16.754 1.00 0.00 H new ATOM 0 HD2 HIS A 26 16.507 3.843 -14.454 1.00 0.00 H new ATOM 0 HE1 HIS A 26 18.706 3.931 -18.073 1.00 0.00 H new ATOM 0 HE2 HIS A 26 18.771 4.358 -15.516 1.00 0.00 H new ATOM 406 N HIS A 27 11.247 4.347 -17.595 1.00 0.00 N ATOM 407 CA HIS A 27 9.810 4.189 -17.449 1.00 0.00 C ATOM 408 C HIS A 27 9.422 4.354 -15.979 1.00 0.00 C ATOM 409 O HIS A 27 8.733 3.505 -15.415 1.00 0.00 O ATOM 410 CB HIS A 27 9.347 2.855 -18.038 1.00 0.00 C ATOM 411 CG HIS A 27 9.884 2.576 -19.422 1.00 0.00 C ATOM 412 ND1 HIS A 27 9.756 3.471 -20.470 1.00 0.00 N ATOM 413 CD2 HIS A 27 10.550 1.495 -19.918 1.00 0.00 C ATOM 414 CE1 HIS A 27 10.323 2.941 -21.544 1.00 0.00 C ATOM 415 NE2 HIS A 27 10.814 1.716 -21.200 1.00 0.00 N ATOM 0 H HIS A 27 11.536 5.201 -18.072 1.00 0.00 H new ATOM 0 HA HIS A 27 9.296 4.967 -18.014 1.00 0.00 H new ATOM 0 HB2 HIS A 27 9.653 2.049 -17.371 1.00 0.00 H new ATOM 0 HB3 HIS A 27 8.258 2.843 -18.073 1.00 0.00 H new ATOM 0 HD2 HIS A 27 10.818 0.609 -19.362 1.00 0.00 H new ATOM 0 HE1 HIS A 27 10.385 3.399 -22.520 1.00 0.00 H new ATOM 0 HE2 HIS A 27 11.303 1.075 -21.825 1.00 0.00 H new ATOM 423 N LYS A 28 9.882 5.453 -15.398 1.00 0.00 N ATOM 424 CA LYS A 28 9.591 5.741 -14.004 1.00 0.00 C ATOM 425 C LYS A 28 10.032 7.169 -13.680 1.00 0.00 C ATOM 426 O LYS A 28 11.147 7.570 -14.012 1.00 0.00 O ATOM 427 CB LYS A 28 10.220 4.682 -13.096 1.00 0.00 C ATOM 428 CG LYS A 28 11.716 4.942 -12.905 1.00 0.00 C ATOM 429 CD LYS A 28 12.548 3.762 -13.411 1.00 0.00 C ATOM 430 CE LYS A 28 12.479 2.585 -12.435 1.00 0.00 C ATOM 431 NZ LYS A 28 11.635 1.502 -12.987 1.00 0.00 N ATOM 0 H LYS A 28 10.454 6.155 -15.868 1.00 0.00 H new ATOM 0 HA LYS A 28 8.518 5.689 -13.820 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.720 4.685 -12.127 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.071 3.692 -13.528 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.002 5.848 -13.439 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.927 5.114 -11.849 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.185 3.449 -14.390 1.00 0.00 H new ATOM 0 HD3 LYS A 28 13.585 4.072 -13.540 1.00 0.00 H new ATOM 0 HE2 LYS A 28 13.483 2.208 -12.240 1.00 0.00 H new ATOM 0 HE3 LYS A 28 12.073 2.920 -11.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 11.871 0.604 -12.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.633 1.725 -12.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 11.807 1.414 -14.009 1.00 0.00 H new ATOM 445 N VAL A 29 9.134 7.899 -13.033 1.00 0.00 N ATOM 446 CA VAL A 29 9.417 9.275 -12.661 1.00 0.00 C ATOM 447 C VAL A 29 10.350 9.289 -11.448 1.00 0.00 C ATOM 448 O VAL A 29 10.232 8.447 -10.559 1.00 0.00 O ATOM 449 CB VAL A 29 8.108 10.029 -12.416 1.00 0.00 C ATOM 450 CG1 VAL A 29 7.179 9.924 -13.627 1.00 0.00 C ATOM 451 CG2 VAL A 29 7.415 9.528 -11.147 1.00 0.00 C ATOM 0 H VAL A 29 8.211 7.563 -12.757 1.00 0.00 H new ATOM 0 HA VAL A 29 9.930 9.793 -13.472 1.00 0.00 H new ATOM 0 HB VAL A 29 8.351 11.082 -12.271 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.256 10.468 -13.426 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.670 10.352 -14.501 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.948 8.876 -13.818 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.488 10.081 -10.997 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.192 8.466 -11.249 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.071 9.680 -10.290 1.00 0.00 H new ATOM 461 N TYR A 30 11.259 10.253 -11.452 1.00 0.00 N ATOM 462 CA TYR A 30 12.212 10.388 -10.365 1.00 0.00 C ATOM 463 C TYR A 30 12.049 11.734 -9.655 1.00 0.00 C ATOM 464 O TYR A 30 12.441 12.771 -10.187 1.00 0.00 O ATOM 465 CB TYR A 30 13.599 10.330 -11.009 1.00 0.00 C ATOM 466 CG TYR A 30 14.199 8.924 -11.067 1.00 0.00 C ATOM 467 CD1 TYR A 30 13.408 7.824 -10.802 1.00 0.00 C ATOM 468 CD2 TYR A 30 15.531 8.754 -11.385 1.00 0.00 C ATOM 469 CE1 TYR A 30 13.973 6.501 -10.856 1.00 0.00 C ATOM 470 CE2 TYR A 30 16.096 7.431 -11.439 1.00 0.00 C ATOM 471 CZ TYR A 30 15.289 6.370 -11.172 1.00 0.00 C ATOM 472 OH TYR A 30 15.823 5.120 -11.224 1.00 0.00 O ATOM 0 H TYR A 30 11.355 10.948 -12.192 1.00 0.00 H new ATOM 0 HA TYR A 30 12.061 9.602 -9.625 1.00 0.00 H new ATOM 0 HB2 TYR A 30 13.535 10.729 -12.021 1.00 0.00 H new ATOM 0 HB3 TYR A 30 14.274 10.980 -10.452 1.00 0.00 H new ATOM 0 HD1 TYR A 30 12.365 7.956 -10.554 1.00 0.00 H new ATOM 0 HD2 TYR A 30 16.150 9.614 -11.594 1.00 0.00 H new ATOM 0 HE1 TYR A 30 13.365 5.632 -10.650 1.00 0.00 H new ATOM 0 HE2 TYR A 30 17.137 7.285 -11.686 1.00 0.00 H new ATOM 0 HH TYR A 30 16.772 5.179 -11.463 1.00 0.00 H new ATOM 482 N ASP A 31 11.469 11.673 -8.466 1.00 0.00 N ATOM 483 CA ASP A 31 11.249 12.875 -7.678 1.00 0.00 C ATOM 484 C ASP A 31 12.575 13.325 -7.061 1.00 0.00 C ATOM 485 O ASP A 31 12.858 13.026 -5.902 1.00 0.00 O ATOM 486 CB ASP A 31 10.262 12.614 -6.539 1.00 0.00 C ATOM 487 CG ASP A 31 9.858 13.852 -5.737 1.00 0.00 C ATOM 488 OD1 ASP A 31 10.689 14.784 -5.674 1.00 0.00 O ATOM 489 OD2 ASP A 31 8.728 13.839 -5.203 1.00 0.00 O ATOM 0 H ASP A 31 11.144 10.811 -8.028 1.00 0.00 H new ATOM 0 HA ASP A 31 10.843 13.641 -8.338 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.363 12.160 -6.955 1.00 0.00 H new ATOM 0 HB3 ASP A 31 10.701 11.886 -5.857 1.00 0.00 H new ATOM 494 N LEU A 32 13.353 14.036 -7.864 1.00 0.00 N ATOM 495 CA LEU A 32 14.642 14.531 -7.411 1.00 0.00 C ATOM 496 C LEU A 32 14.522 16.016 -7.068 1.00 0.00 C ATOM 497 O LEU A 32 15.456 16.786 -7.288 1.00 0.00 O ATOM 498 CB LEU A 32 15.727 14.224 -8.445 1.00 0.00 C ATOM 499 CG LEU A 32 15.541 14.864 -9.823 1.00 0.00 C ATOM 500 CD1 LEU A 32 16.686 15.826 -10.140 1.00 0.00 C ATOM 501 CD2 LEU A 32 15.373 13.796 -10.905 1.00 0.00 C ATOM 0 H LEU A 32 13.116 14.281 -8.825 1.00 0.00 H new ATOM 0 HA LEU A 32 14.948 14.017 -6.500 1.00 0.00 H new ATOM 0 HB2 LEU A 32 16.687 14.548 -8.042 1.00 0.00 H new ATOM 0 HB3 LEU A 32 15.784 13.143 -8.573 1.00 0.00 H new ATOM 0 HG LEU A 32 14.623 15.452 -9.805 1.00 0.00 H new ATOM 0 HD11 LEU A 32 16.529 16.267 -11.125 1.00 0.00 H new ATOM 0 HD12 LEU A 32 16.716 16.616 -9.389 1.00 0.00 H new ATOM 0 HD13 LEU A 32 17.631 15.282 -10.132 1.00 0.00 H new ATOM 0 HD21 LEU A 32 15.243 14.277 -11.874 1.00 0.00 H new ATOM 0 HD22 LEU A 32 16.259 13.162 -10.931 1.00 0.00 H new ATOM 0 HD23 LEU A 32 14.497 13.187 -10.682 1.00 0.00 H new ATOM 513 N THR A 33 13.364 16.376 -6.534 1.00 0.00 N ATOM 514 CA THR A 33 13.109 17.757 -6.159 1.00 0.00 C ATOM 515 C THR A 33 14.154 18.235 -5.148 1.00 0.00 C ATOM 516 O THR A 33 14.676 19.343 -5.268 1.00 0.00 O ATOM 517 CB THR A 33 11.673 17.848 -5.637 1.00 0.00 C ATOM 518 OG1 THR A 33 10.915 17.091 -6.577 1.00 0.00 O ATOM 519 CG2 THR A 33 11.099 19.261 -5.748 1.00 0.00 C ATOM 0 H THR A 33 12.592 15.735 -6.352 1.00 0.00 H new ATOM 0 HA THR A 33 13.201 18.424 -7.016 1.00 0.00 H new ATOM 0 HB THR A 33 11.643 17.525 -4.596 1.00 0.00 H new ATOM 0 HG1 THR A 33 10.436 16.375 -6.110 1.00 0.00 H new ATOM 0 HG21 THR A 33 10.079 19.270 -5.364 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.712 19.949 -5.166 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.097 19.572 -6.793 1.00 0.00 H new ATOM 527 N LYS A 34 14.427 17.378 -4.176 1.00 0.00 N ATOM 528 CA LYS A 34 15.400 17.699 -3.146 1.00 0.00 C ATOM 529 C LYS A 34 16.807 17.652 -3.746 1.00 0.00 C ATOM 530 O LYS A 34 17.642 18.503 -3.446 1.00 0.00 O ATOM 531 CB LYS A 34 15.217 16.785 -1.933 1.00 0.00 C ATOM 532 CG LYS A 34 16.286 17.061 -0.872 1.00 0.00 C ATOM 533 CD LYS A 34 16.954 15.762 -0.417 1.00 0.00 C ATOM 534 CE LYS A 34 16.182 15.126 0.741 1.00 0.00 C ATOM 535 NZ LYS A 34 16.342 15.930 1.973 1.00 0.00 N ATOM 0 H LYS A 34 13.991 16.461 -4.080 1.00 0.00 H new ATOM 0 HA LYS A 34 15.245 18.713 -2.778 1.00 0.00 H new ATOM 0 HB2 LYS A 34 14.226 16.937 -1.505 1.00 0.00 H new ATOM 0 HB3 LYS A 34 15.272 15.743 -2.247 1.00 0.00 H new ATOM 0 HG2 LYS A 34 17.038 17.739 -1.276 1.00 0.00 H new ATOM 0 HG3 LYS A 34 15.833 17.561 -0.016 1.00 0.00 H new ATOM 0 HD2 LYS A 34 17.005 15.063 -1.252 1.00 0.00 H new ATOM 0 HD3 LYS A 34 17.979 15.965 -0.108 1.00 0.00 H new ATOM 0 HE2 LYS A 34 15.126 15.050 0.484 1.00 0.00 H new ATOM 0 HE3 LYS A 34 16.542 14.111 0.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 16.150 15.334 2.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 17.314 16.295 2.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 15.674 16.727 1.957 1.00 0.00 H new ATOM 549 N TYR A 35 17.025 16.647 -4.582 1.00 0.00 N ATOM 550 CA TYR A 35 18.315 16.478 -5.227 1.00 0.00 C ATOM 551 C TYR A 35 18.369 17.233 -6.556 1.00 0.00 C ATOM 552 O TYR A 35 19.236 16.972 -7.389 1.00 0.00 O ATOM 553 CB TYR A 35 18.457 14.979 -5.500 1.00 0.00 C ATOM 554 CG TYR A 35 19.768 14.592 -6.188 1.00 0.00 C ATOM 555 CD1 TYR A 35 20.935 14.511 -5.455 1.00 0.00 C ATOM 556 CD2 TYR A 35 19.784 14.324 -7.542 1.00 0.00 C ATOM 557 CE1 TYR A 35 22.167 14.147 -6.103 1.00 0.00 C ATOM 558 CE2 TYR A 35 21.016 13.961 -8.190 1.00 0.00 C ATOM 559 CZ TYR A 35 22.148 13.891 -7.438 1.00 0.00 C ATOM 560 OH TYR A 35 23.313 13.547 -8.050 1.00 0.00 O ATOM 0 H TYR A 35 16.330 15.942 -4.827 1.00 0.00 H new ATOM 0 HA TYR A 35 19.113 16.866 -4.594 1.00 0.00 H new ATOM 0 HB2 TYR A 35 18.381 14.440 -4.556 1.00 0.00 H new ATOM 0 HB3 TYR A 35 17.623 14.653 -6.121 1.00 0.00 H new ATOM 0 HD1 TYR A 35 20.923 14.721 -4.396 1.00 0.00 H new ATOM 0 HD2 TYR A 35 18.871 14.387 -8.115 1.00 0.00 H new ATOM 0 HE1 TYR A 35 23.087 14.079 -5.541 1.00 0.00 H new ATOM 0 HE2 TYR A 35 21.042 13.749 -9.249 1.00 0.00 H new ATOM 0 HH TYR A 35 23.893 13.081 -7.412 1.00 0.00 H new ATOM 570 N LEU A 36 17.430 18.154 -6.714 1.00 0.00 N ATOM 571 CA LEU A 36 17.358 18.949 -7.928 1.00 0.00 C ATOM 572 C LEU A 36 18.509 19.958 -7.941 1.00 0.00 C ATOM 573 O LEU A 36 19.210 20.092 -8.943 1.00 0.00 O ATOM 574 CB LEU A 36 15.976 19.590 -8.068 1.00 0.00 C ATOM 575 CG LEU A 36 15.807 20.572 -9.230 1.00 0.00 C ATOM 576 CD1 LEU A 36 16.562 21.875 -8.961 1.00 0.00 C ATOM 577 CD2 LEU A 36 16.223 19.931 -10.554 1.00 0.00 C ATOM 0 H LEU A 36 16.712 18.368 -6.021 1.00 0.00 H new ATOM 0 HA LEU A 36 17.480 18.315 -8.806 1.00 0.00 H new ATOM 0 HB2 LEU A 36 15.238 18.795 -8.180 1.00 0.00 H new ATOM 0 HB3 LEU A 36 15.744 20.112 -7.140 1.00 0.00 H new ATOM 0 HG LEU A 36 14.750 20.824 -9.313 1.00 0.00 H new ATOM 0 HD11 LEU A 36 16.425 22.555 -9.802 1.00 0.00 H new ATOM 0 HD12 LEU A 36 16.176 22.338 -8.053 1.00 0.00 H new ATOM 0 HD13 LEU A 36 17.624 21.661 -8.836 1.00 0.00 H new ATOM 0 HD21 LEU A 36 16.093 20.650 -11.363 1.00 0.00 H new ATOM 0 HD22 LEU A 36 17.269 19.631 -10.500 1.00 0.00 H new ATOM 0 HD23 LEU A 36 15.603 19.055 -10.744 1.00 0.00 H new ATOM 589 N GLU A 37 18.666 20.641 -6.817 1.00 0.00 N ATOM 590 CA GLU A 37 19.720 21.634 -6.686 1.00 0.00 C ATOM 591 C GLU A 37 20.997 20.984 -6.154 1.00 0.00 C ATOM 592 O GLU A 37 22.050 21.620 -6.110 1.00 0.00 O ATOM 593 CB GLU A 37 19.275 22.789 -5.786 1.00 0.00 C ATOM 594 CG GLU A 37 19.104 22.322 -4.339 1.00 0.00 C ATOM 595 CD GLU A 37 18.410 23.394 -3.496 1.00 0.00 C ATOM 596 OE1 GLU A 37 17.164 23.461 -3.578 1.00 0.00 O ATOM 597 OE2 GLU A 37 19.140 24.120 -2.789 1.00 0.00 O ATOM 0 H GLU A 37 18.082 20.527 -5.989 1.00 0.00 H new ATOM 0 HA GLU A 37 19.930 22.046 -7.673 1.00 0.00 H new ATOM 0 HB2 GLU A 37 20.011 23.592 -5.828 1.00 0.00 H new ATOM 0 HB3 GLU A 37 18.334 23.199 -6.153 1.00 0.00 H new ATOM 0 HG2 GLU A 37 18.520 21.402 -4.317 1.00 0.00 H new ATOM 0 HG3 GLU A 37 20.079 22.091 -3.910 1.00 0.00 H new ATOM 604 N GLU A 38 20.865 19.725 -5.761 1.00 0.00 N ATOM 605 CA GLU A 38 21.996 18.983 -5.233 1.00 0.00 C ATOM 606 C GLU A 38 22.773 18.318 -6.371 1.00 0.00 C ATOM 607 O GLU A 38 23.954 18.009 -6.224 1.00 0.00 O ATOM 608 CB GLU A 38 21.540 17.947 -4.203 1.00 0.00 C ATOM 609 CG GLU A 38 22.506 17.890 -3.018 1.00 0.00 C ATOM 610 CD GLU A 38 23.629 16.883 -3.274 1.00 0.00 C ATOM 611 OE1 GLU A 38 23.411 15.695 -2.951 1.00 0.00 O ATOM 612 OE2 GLU A 38 24.680 17.324 -3.786 1.00 0.00 O ATOM 0 H GLU A 38 19.991 19.200 -5.798 1.00 0.00 H new ATOM 0 HA GLU A 38 22.660 19.684 -4.726 1.00 0.00 H new ATOM 0 HB2 GLU A 38 20.540 18.196 -3.850 1.00 0.00 H new ATOM 0 HB3 GLU A 38 21.477 16.965 -4.673 1.00 0.00 H new ATOM 0 HG2 GLU A 38 22.932 18.878 -2.843 1.00 0.00 H new ATOM 0 HG3 GLU A 38 21.963 17.613 -2.115 1.00 0.00 H new ATOM 619 N HIS A 39 22.077 18.117 -7.482 1.00 0.00 N ATOM 620 CA HIS A 39 22.687 17.495 -8.645 1.00 0.00 C ATOM 621 C HIS A 39 24.010 18.194 -8.966 1.00 0.00 C ATOM 622 O HIS A 39 24.050 19.413 -9.122 1.00 0.00 O ATOM 623 CB HIS A 39 21.717 17.488 -9.827 1.00 0.00 C ATOM 624 CG HIS A 39 22.076 16.497 -10.909 1.00 0.00 C ATOM 625 ND1 HIS A 39 21.995 16.797 -12.258 1.00 0.00 N ATOM 626 CD2 HIS A 39 22.518 15.209 -10.827 1.00 0.00 C ATOM 627 CE1 HIS A 39 22.373 15.731 -12.947 1.00 0.00 C ATOM 628 NE2 HIS A 39 22.695 14.747 -12.059 1.00 0.00 N ATOM 0 H HIS A 39 21.097 18.374 -7.601 1.00 0.00 H new ATOM 0 HA HIS A 39 22.912 16.451 -8.429 1.00 0.00 H new ATOM 0 HB2 HIS A 39 20.715 17.264 -9.461 1.00 0.00 H new ATOM 0 HB3 HIS A 39 21.681 18.487 -10.261 1.00 0.00 H new ATOM 0 HD1 HIS A 39 21.695 17.688 -12.654 1.00 0.00 H new ATOM 0 HD2 HIS A 39 22.694 14.659 -9.915 1.00 0.00 H new ATOM 0 HE1 HIS A 39 22.418 15.654 -14.023 1.00 0.00 H new ATOM 636 N PRO A 40 25.088 17.370 -9.058 1.00 0.00 N ATOM 637 CA PRO A 40 26.408 17.896 -9.357 1.00 0.00 C ATOM 638 C PRO A 40 26.527 18.271 -10.837 1.00 0.00 C ATOM 639 O PRO A 40 27.273 19.181 -11.192 1.00 0.00 O ATOM 640 CB PRO A 40 27.373 16.795 -8.946 1.00 0.00 C ATOM 641 CG PRO A 40 26.545 15.524 -8.866 1.00 0.00 C ATOM 642 CD PRO A 40 25.077 15.921 -8.879 1.00 0.00 C ATOM 0 HA PRO A 40 26.624 18.819 -8.819 1.00 0.00 H new ATOM 0 HB2 PRO A 40 28.179 16.691 -9.672 1.00 0.00 H new ATOM 0 HB3 PRO A 40 27.836 17.020 -7.986 1.00 0.00 H new ATOM 0 HG2 PRO A 40 26.770 14.868 -9.707 1.00 0.00 H new ATOM 0 HG3 PRO A 40 26.783 14.970 -7.958 1.00 0.00 H new ATOM 0 HD2 PRO A 40 24.540 15.426 -9.688 1.00 0.00 H new ATOM 0 HD3 PRO A 40 24.582 15.640 -7.949 1.00 0.00 H new ATOM 650 N GLY A 41 25.777 17.550 -11.658 1.00 0.00 N ATOM 651 CA GLY A 41 25.787 17.796 -13.090 1.00 0.00 C ATOM 652 C GLY A 41 25.221 19.179 -13.413 1.00 0.00 C ATOM 653 O GLY A 41 25.948 20.063 -13.863 1.00 0.00 O ATOM 0 H GLY A 41 25.159 16.796 -11.359 1.00 0.00 H new ATOM 0 HA2 GLY A 41 26.806 17.719 -13.469 1.00 0.00 H new ATOM 0 HA3 GLY A 41 25.200 17.031 -13.598 1.00 0.00 H new ATOM 657 N GLY A 42 23.926 19.324 -13.172 1.00 0.00 N ATOM 658 CA GLY A 42 23.252 20.585 -13.432 1.00 0.00 C ATOM 659 C GLY A 42 21.805 20.546 -12.937 1.00 0.00 C ATOM 660 O GLY A 42 21.171 19.492 -12.946 1.00 0.00 O ATOM 0 H GLY A 42 23.325 18.589 -12.799 1.00 0.00 H new ATOM 0 HA2 GLY A 42 23.787 21.396 -12.938 1.00 0.00 H new ATOM 0 HA3 GLY A 42 23.269 20.797 -14.501 1.00 0.00 H new ATOM 664 N GLU A 43 21.325 21.707 -12.517 1.00 0.00 N ATOM 665 CA GLU A 43 19.965 21.819 -12.019 1.00 0.00 C ATOM 666 C GLU A 43 18.996 22.073 -13.176 1.00 0.00 C ATOM 667 O GLU A 43 17.789 21.882 -13.034 1.00 0.00 O ATOM 668 CB GLU A 43 19.856 22.920 -10.962 1.00 0.00 C ATOM 669 CG GLU A 43 20.413 24.243 -11.489 1.00 0.00 C ATOM 670 CD GLU A 43 19.434 25.391 -11.232 1.00 0.00 C ATOM 671 OE1 GLU A 43 18.922 25.456 -10.093 1.00 0.00 O ATOM 672 OE2 GLU A 43 19.221 26.177 -12.179 1.00 0.00 O ATOM 0 H GLU A 43 21.854 22.579 -12.511 1.00 0.00 H new ATOM 0 HA GLU A 43 19.695 20.876 -11.543 1.00 0.00 H new ATOM 0 HB2 GLU A 43 18.813 23.050 -10.673 1.00 0.00 H new ATOM 0 HB3 GLU A 43 20.400 22.624 -10.065 1.00 0.00 H new ATOM 0 HG2 GLU A 43 21.366 24.458 -11.006 1.00 0.00 H new ATOM 0 HG3 GLU A 43 20.609 24.159 -12.558 1.00 0.00 H new ATOM 679 N GLU A 44 19.560 22.500 -14.296 1.00 0.00 N ATOM 680 CA GLU A 44 18.761 22.783 -15.477 1.00 0.00 C ATOM 681 C GLU A 44 18.564 21.509 -16.301 1.00 0.00 C ATOM 682 O GLU A 44 17.433 21.132 -16.605 1.00 0.00 O ATOM 683 CB GLU A 44 19.401 23.888 -16.320 1.00 0.00 C ATOM 684 CG GLU A 44 18.392 24.475 -17.310 1.00 0.00 C ATOM 685 CD GLU A 44 18.106 25.944 -16.994 1.00 0.00 C ATOM 686 OE1 GLU A 44 17.427 26.182 -15.971 1.00 0.00 O ATOM 687 OE2 GLU A 44 18.572 26.796 -17.781 1.00 0.00 O ATOM 0 H GLU A 44 20.561 22.657 -14.411 1.00 0.00 H new ATOM 0 HA GLU A 44 17.783 23.139 -15.154 1.00 0.00 H new ATOM 0 HB2 GLU A 44 19.777 24.676 -15.668 1.00 0.00 H new ATOM 0 HB3 GLU A 44 20.257 23.487 -16.862 1.00 0.00 H new ATOM 0 HG2 GLU A 44 18.779 24.386 -18.325 1.00 0.00 H new ATOM 0 HG3 GLU A 44 17.465 23.904 -17.271 1.00 0.00 H new ATOM 694 N VAL A 45 19.680 20.882 -16.639 1.00 0.00 N ATOM 695 CA VAL A 45 19.644 19.658 -17.422 1.00 0.00 C ATOM 696 C VAL A 45 18.482 18.786 -16.942 1.00 0.00 C ATOM 697 O VAL A 45 17.918 18.015 -17.717 1.00 0.00 O ATOM 698 CB VAL A 45 20.997 18.948 -17.346 1.00 0.00 C ATOM 699 CG1 VAL A 45 21.674 19.202 -15.998 1.00 0.00 C ATOM 700 CG2 VAL A 45 20.844 17.448 -17.607 1.00 0.00 C ATOM 0 H VAL A 45 20.616 21.198 -16.385 1.00 0.00 H new ATOM 0 HA VAL A 45 19.469 19.882 -18.474 1.00 0.00 H new ATOM 0 HB VAL A 45 21.636 19.361 -18.126 1.00 0.00 H new ATOM 0 HG11 VAL A 45 22.634 18.686 -15.970 1.00 0.00 H new ATOM 0 HG12 VAL A 45 21.833 20.272 -15.867 1.00 0.00 H new ATOM 0 HG13 VAL A 45 21.038 18.829 -15.195 1.00 0.00 H new ATOM 0 HG21 VAL A 45 21.820 16.967 -17.547 1.00 0.00 H new ATOM 0 HG22 VAL A 45 20.179 17.015 -16.860 1.00 0.00 H new ATOM 0 HG23 VAL A 45 20.423 17.293 -18.600 1.00 0.00 H new ATOM 710 N LEU A 46 18.160 18.935 -15.665 1.00 0.00 N ATOM 711 CA LEU A 46 17.075 18.169 -15.073 1.00 0.00 C ATOM 712 C LEU A 46 15.746 18.870 -15.362 1.00 0.00 C ATOM 713 O LEU A 46 14.865 18.299 -16.003 1.00 0.00 O ATOM 714 CB LEU A 46 17.336 17.936 -13.584 1.00 0.00 C ATOM 715 CG LEU A 46 18.791 17.672 -13.192 1.00 0.00 C ATOM 716 CD1 LEU A 46 19.064 18.128 -11.757 1.00 0.00 C ATOM 717 CD2 LEU A 46 19.159 16.202 -13.404 1.00 0.00 C ATOM 0 H LEU A 46 18.631 19.574 -15.024 1.00 0.00 H new ATOM 0 HA LEU A 46 17.018 17.178 -15.522 1.00 0.00 H new ATOM 0 HB2 LEU A 46 16.984 18.808 -13.033 1.00 0.00 H new ATOM 0 HB3 LEU A 46 16.733 17.089 -13.258 1.00 0.00 H new ATOM 0 HG LEU A 46 19.432 18.263 -13.846 1.00 0.00 H new ATOM 0 HD11 LEU A 46 20.105 17.929 -11.504 1.00 0.00 H new ATOM 0 HD12 LEU A 46 18.868 19.197 -11.671 1.00 0.00 H new ATOM 0 HD13 LEU A 46 18.414 17.584 -11.072 1.00 0.00 H new ATOM 0 HD21 LEU A 46 20.198 16.042 -13.118 1.00 0.00 H new ATOM 0 HD22 LEU A 46 18.513 15.573 -12.791 1.00 0.00 H new ATOM 0 HD23 LEU A 46 19.028 15.942 -14.454 1.00 0.00 H new ATOM 729 N ARG A 47 15.642 20.097 -14.875 1.00 0.00 N ATOM 730 CA ARG A 47 14.435 20.881 -15.072 1.00 0.00 C ATOM 731 C ARG A 47 14.148 21.048 -16.566 1.00 0.00 C ATOM 732 O ARG A 47 13.077 20.675 -17.041 1.00 0.00 O ATOM 733 CB ARG A 47 14.563 22.263 -14.428 1.00 0.00 C ATOM 734 CG ARG A 47 14.617 22.154 -12.903 1.00 0.00 C ATOM 735 CD ARG A 47 14.015 23.396 -12.242 1.00 0.00 C ATOM 736 NE ARG A 47 15.046 24.450 -12.113 1.00 0.00 N ATOM 737 CZ ARG A 47 14.777 25.735 -11.847 1.00 0.00 C ATOM 738 NH1 ARG A 47 13.509 26.135 -11.682 1.00 0.00 N ATOM 739 NH2 ARG A 47 15.777 26.622 -11.747 1.00 0.00 N ATOM 0 H ARG A 47 16.374 20.568 -14.344 1.00 0.00 H new ATOM 0 HA ARG A 47 13.612 20.346 -14.597 1.00 0.00 H new ATOM 0 HB2 ARG A 47 15.464 22.756 -14.793 1.00 0.00 H new ATOM 0 HB3 ARG A 47 13.718 22.885 -14.722 1.00 0.00 H new ATOM 0 HG2 ARG A 47 14.074 21.266 -12.579 1.00 0.00 H new ATOM 0 HG3 ARG A 47 15.651 22.031 -12.580 1.00 0.00 H new ATOM 0 HD2 ARG A 47 13.178 23.765 -12.835 1.00 0.00 H new ATOM 0 HD3 ARG A 47 13.620 23.140 -11.259 1.00 0.00 H new ATOM 0 HE ARG A 47 16.022 24.181 -12.234 1.00 0.00 H new ATOM 0 HH11 ARG A 47 12.747 25.461 -11.759 1.00 0.00 H new ATOM 0 HH12 ARG A 47 13.305 27.114 -11.479 1.00 0.00 H new ATOM 0 HH21 ARG A 47 16.743 26.318 -11.873 1.00 0.00 H new ATOM 0 HH22 ARG A 47 15.572 27.601 -11.544 1.00 0.00 H new ATOM 753 N GLU A 48 15.125 21.608 -17.264 1.00 0.00 N ATOM 754 CA GLU A 48 14.991 21.828 -18.694 1.00 0.00 C ATOM 755 C GLU A 48 14.161 20.711 -19.328 1.00 0.00 C ATOM 756 O GLU A 48 13.274 20.975 -20.139 1.00 0.00 O ATOM 757 CB GLU A 48 16.363 21.938 -19.363 1.00 0.00 C ATOM 758 CG GLU A 48 16.235 22.459 -20.795 1.00 0.00 C ATOM 759 CD GLU A 48 17.363 23.439 -21.126 1.00 0.00 C ATOM 760 OE1 GLU A 48 18.531 23.056 -20.900 1.00 0.00 O ATOM 761 OE2 GLU A 48 17.031 24.548 -21.597 1.00 0.00 O ATOM 0 H GLU A 48 16.012 21.916 -16.866 1.00 0.00 H new ATOM 0 HA GLU A 48 14.471 22.773 -18.849 1.00 0.00 H new ATOM 0 HB2 GLU A 48 17.001 22.607 -18.785 1.00 0.00 H new ATOM 0 HB3 GLU A 48 16.848 20.962 -19.370 1.00 0.00 H new ATOM 0 HG2 GLU A 48 16.259 21.622 -21.493 1.00 0.00 H new ATOM 0 HG3 GLU A 48 15.271 22.952 -20.921 1.00 0.00 H new ATOM 768 N GLN A 49 14.477 19.486 -18.935 1.00 0.00 N ATOM 769 CA GLN A 49 13.772 18.327 -19.454 1.00 0.00 C ATOM 770 C GLN A 49 13.339 17.411 -18.307 1.00 0.00 C ATOM 771 O GLN A 49 13.594 16.208 -18.338 1.00 0.00 O ATOM 772 CB GLN A 49 14.633 17.568 -20.466 1.00 0.00 C ATOM 773 CG GLN A 49 15.907 17.032 -19.810 1.00 0.00 C ATOM 774 CD GLN A 49 17.089 17.093 -20.778 1.00 0.00 C ATOM 775 OE1 GLN A 49 17.097 16.119 -21.684 1.00 0.00 O flip ATOM 776 NE2 GLN A 49 17.938 17.966 -20.709 1.00 0.00 N flip ATOM 0 H GLN A 49 15.213 19.271 -18.262 1.00 0.00 H new ATOM 0 HA GLN A 49 12.879 18.673 -19.974 1.00 0.00 H new ATOM 0 HB2 GLN A 49 14.061 16.741 -20.887 1.00 0.00 H new ATOM 0 HB3 GLN A 49 14.896 18.228 -21.293 1.00 0.00 H new ATOM 0 HG2 GLN A 49 16.133 17.615 -18.917 1.00 0.00 H new ATOM 0 HG3 GLN A 49 15.749 16.003 -19.488 1.00 0.00 H new ATOM 0 HE21 GLN A 49 17.873 18.685 -19.989 1.00 0.00 H new ATOM 0 HE22 GLN A 49 18.713 17.977 -21.372 1.00 0.00 H new ATOM 785 N ALA A 50 12.690 18.015 -17.323 1.00 0.00 N ATOM 786 CA ALA A 50 12.218 17.269 -16.169 1.00 0.00 C ATOM 787 C ALA A 50 11.014 16.416 -16.575 1.00 0.00 C ATOM 788 O ALA A 50 11.172 15.261 -16.967 1.00 0.00 O ATOM 789 CB ALA A 50 11.888 18.240 -15.033 1.00 0.00 C ATOM 0 H ALA A 50 12.480 19.013 -17.301 1.00 0.00 H new ATOM 0 HA ALA A 50 12.993 16.594 -15.806 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.534 17.680 -14.167 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.783 18.800 -14.762 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.112 18.932 -15.360 1.00 0.00 H new ATOM 795 N GLY A 51 9.840 17.018 -16.467 1.00 0.00 N ATOM 796 CA GLY A 51 8.610 16.328 -16.818 1.00 0.00 C ATOM 797 C GLY A 51 8.770 15.554 -18.128 1.00 0.00 C ATOM 798 O GLY A 51 8.144 14.512 -18.318 1.00 0.00 O ATOM 0 H GLY A 51 9.713 17.976 -16.141 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.333 15.642 -16.018 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.799 17.050 -16.915 1.00 0.00 H new ATOM 802 N GLY A 52 9.612 16.093 -18.997 1.00 0.00 N ATOM 803 CA GLY A 52 9.863 15.466 -20.284 1.00 0.00 C ATOM 804 C GLY A 52 10.439 14.060 -20.106 1.00 0.00 C ATOM 805 O GLY A 52 9.986 13.305 -19.247 1.00 0.00 O ATOM 0 H GLY A 52 10.129 16.957 -18.835 1.00 0.00 H new ATOM 0 HA2 GLY A 52 8.935 15.413 -20.854 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.557 16.077 -20.861 1.00 0.00 H new ATOM 809 N ASP A 53 11.430 13.752 -20.929 1.00 0.00 N ATOM 810 CA ASP A 53 12.072 12.450 -20.874 1.00 0.00 C ATOM 811 C ASP A 53 13.591 12.636 -20.885 1.00 0.00 C ATOM 812 O ASP A 53 14.165 13.028 -21.900 1.00 0.00 O ATOM 813 CB ASP A 53 11.691 11.596 -22.085 1.00 0.00 C ATOM 814 CG ASP A 53 12.438 10.265 -22.197 1.00 0.00 C ATOM 815 OD1 ASP A 53 13.637 10.315 -22.546 1.00 0.00 O ATOM 816 OD2 ASP A 53 11.792 9.228 -21.931 1.00 0.00 O ATOM 0 H ASP A 53 11.804 14.382 -21.638 1.00 0.00 H new ATOM 0 HA ASP A 53 11.744 11.950 -19.963 1.00 0.00 H new ATOM 0 HB2 ASP A 53 10.621 11.393 -22.045 1.00 0.00 H new ATOM 0 HB3 ASP A 53 11.872 12.175 -22.991 1.00 0.00 H new ATOM 821 N ALA A 54 14.199 12.345 -19.744 1.00 0.00 N ATOM 822 CA ALA A 54 15.640 12.474 -19.609 1.00 0.00 C ATOM 823 C ALA A 54 16.261 11.084 -19.463 1.00 0.00 C ATOM 824 O ALA A 54 17.400 10.952 -19.017 1.00 0.00 O ATOM 825 CB ALA A 54 15.962 13.385 -18.423 1.00 0.00 C ATOM 0 H ALA A 54 13.720 12.020 -18.904 1.00 0.00 H new ATOM 0 HA ALA A 54 16.069 12.934 -20.499 1.00 0.00 H new ATOM 0 HB1 ALA A 54 17.043 13.482 -18.322 1.00 0.00 H new ATOM 0 HB2 ALA A 54 15.524 14.369 -18.590 1.00 0.00 H new ATOM 0 HB3 ALA A 54 15.549 12.954 -17.511 1.00 0.00 H new ATOM 831 N THR A 55 15.486 10.081 -19.849 1.00 0.00 N ATOM 832 CA THR A 55 15.946 8.705 -19.767 1.00 0.00 C ATOM 833 C THR A 55 17.325 8.565 -20.414 1.00 0.00 C ATOM 834 O THR A 55 18.289 8.184 -19.753 1.00 0.00 O ATOM 835 CB THR A 55 14.881 7.812 -20.404 1.00 0.00 C ATOM 836 OG1 THR A 55 13.879 7.693 -19.399 1.00 0.00 O ATOM 837 CG2 THR A 55 15.369 6.377 -20.614 1.00 0.00 C ATOM 0 H THR A 55 14.542 10.194 -20.219 1.00 0.00 H new ATOM 0 HA THR A 55 16.075 8.391 -18.731 1.00 0.00 H new ATOM 0 HB THR A 55 14.578 8.237 -21.361 1.00 0.00 H new ATOM 0 HG1 THR A 55 13.579 8.586 -19.129 1.00 0.00 H new ATOM 0 HG21 THR A 55 14.575 5.785 -21.069 1.00 0.00 H new ATOM 0 HG22 THR A 55 16.239 6.381 -21.270 1.00 0.00 H new ATOM 0 HG23 THR A 55 15.641 5.941 -19.653 1.00 0.00 H new ATOM 845 N GLU A 56 17.374 8.879 -21.700 1.00 0.00 N ATOM 846 CA GLU A 56 18.619 8.792 -22.444 1.00 0.00 C ATOM 847 C GLU A 56 19.621 9.825 -21.925 1.00 0.00 C ATOM 848 O GLU A 56 20.807 9.528 -21.783 1.00 0.00 O ATOM 849 CB GLU A 56 18.375 8.971 -23.944 1.00 0.00 C ATOM 850 CG GLU A 56 17.491 7.849 -24.494 1.00 0.00 C ATOM 851 CD GLU A 56 16.079 8.358 -24.788 1.00 0.00 C ATOM 852 OE1 GLU A 56 15.443 8.854 -23.832 1.00 0.00 O ATOM 853 OE2 GLU A 56 15.667 8.240 -25.962 1.00 0.00 O ATOM 0 H GLU A 56 16.572 9.194 -22.246 1.00 0.00 H new ATOM 0 HA GLU A 56 19.040 7.798 -22.294 1.00 0.00 H new ATOM 0 HB2 GLU A 56 17.900 9.935 -24.126 1.00 0.00 H new ATOM 0 HB3 GLU A 56 19.328 8.980 -24.473 1.00 0.00 H new ATOM 0 HG2 GLU A 56 17.933 7.446 -25.405 1.00 0.00 H new ATOM 0 HG3 GLU A 56 17.444 7.032 -23.774 1.00 0.00 H new ATOM 860 N ASN A 57 19.109 11.016 -21.655 1.00 0.00 N ATOM 861 CA ASN A 57 19.944 12.094 -21.154 1.00 0.00 C ATOM 862 C ASN A 57 20.470 11.723 -19.766 1.00 0.00 C ATOM 863 O ASN A 57 21.387 12.364 -19.254 1.00 0.00 O ATOM 864 CB ASN A 57 19.147 13.394 -21.025 1.00 0.00 C ATOM 865 CG ASN A 57 19.347 14.283 -22.254 1.00 0.00 C ATOM 866 OD1 ASN A 57 18.614 14.217 -23.226 1.00 0.00 O ATOM 867 ND2 ASN A 57 20.378 15.118 -22.155 1.00 0.00 N ATOM 0 H ASN A 57 18.125 11.259 -21.774 1.00 0.00 H new ATOM 0 HA ASN A 57 20.763 12.241 -21.858 1.00 0.00 H new ATOM 0 HB2 ASN A 57 18.088 13.165 -20.905 1.00 0.00 H new ATOM 0 HB3 ASN A 57 19.461 13.930 -20.129 1.00 0.00 H new ATOM 0 HD21 ASN A 57 20.594 15.754 -22.922 1.00 0.00 H new ATOM 0 HD22 ASN A 57 20.952 15.122 -21.312 1.00 0.00 H new ATOM 874 N PHE A 58 19.868 10.690 -19.196 1.00 0.00 N ATOM 875 CA PHE A 58 20.264 10.226 -17.878 1.00 0.00 C ATOM 876 C PHE A 58 21.186 9.010 -17.978 1.00 0.00 C ATOM 877 O PHE A 58 22.154 8.895 -17.227 1.00 0.00 O ATOM 878 CB PHE A 58 18.985 9.821 -17.142 1.00 0.00 C ATOM 879 CG PHE A 58 19.226 9.248 -15.744 1.00 0.00 C ATOM 880 CD1 PHE A 58 19.679 10.054 -14.747 1.00 0.00 C ATOM 881 CD2 PHE A 58 18.985 7.932 -15.499 1.00 0.00 C ATOM 882 CE1 PHE A 58 19.902 9.521 -13.450 1.00 0.00 C ATOM 883 CE2 PHE A 58 19.208 7.399 -14.202 1.00 0.00 C ATOM 884 CZ PHE A 58 19.663 8.206 -13.205 1.00 0.00 C ATOM 0 H PHE A 58 19.108 10.161 -19.624 1.00 0.00 H new ATOM 0 HA PHE A 58 20.803 11.015 -17.354 1.00 0.00 H new ATOM 0 HB2 PHE A 58 18.334 10.692 -17.059 1.00 0.00 H new ATOM 0 HB3 PHE A 58 18.453 9.081 -17.740 1.00 0.00 H new ATOM 0 HD1 PHE A 58 19.869 11.099 -14.942 1.00 0.00 H new ATOM 0 HD2 PHE A 58 18.624 7.293 -16.291 1.00 0.00 H new ATOM 0 HE1 PHE A 58 20.262 10.161 -12.658 1.00 0.00 H new ATOM 0 HE2 PHE A 58 19.017 6.354 -14.007 1.00 0.00 H new ATOM 0 HZ PHE A 58 19.834 7.801 -12.219 1.00 0.00 H new ATOM 894 N GLU A 59 20.853 8.131 -18.913 1.00 0.00 N ATOM 895 CA GLU A 59 21.639 6.927 -19.122 1.00 0.00 C ATOM 896 C GLU A 59 22.868 7.237 -19.981 1.00 0.00 C ATOM 897 O GLU A 59 23.910 6.600 -19.834 1.00 0.00 O ATOM 898 CB GLU A 59 20.792 5.822 -19.756 1.00 0.00 C ATOM 899 CG GLU A 59 20.535 6.110 -21.237 1.00 0.00 C ATOM 900 CD GLU A 59 21.402 5.217 -22.128 1.00 0.00 C ATOM 901 OE1 GLU A 59 22.640 5.355 -22.035 1.00 0.00 O ATOM 902 OE2 GLU A 59 20.806 4.419 -22.882 1.00 0.00 O ATOM 0 H GLU A 59 20.050 8.229 -19.534 1.00 0.00 H new ATOM 0 HA GLU A 59 21.980 6.567 -18.151 1.00 0.00 H new ATOM 0 HB2 GLU A 59 21.300 4.864 -19.651 1.00 0.00 H new ATOM 0 HB3 GLU A 59 19.842 5.738 -19.228 1.00 0.00 H new ATOM 0 HG2 GLU A 59 19.482 5.945 -21.466 1.00 0.00 H new ATOM 0 HG3 GLU A 59 20.747 7.158 -21.450 1.00 0.00 H new ATOM 909 N ASP A 60 22.704 8.216 -20.858 1.00 0.00 N ATOM 910 CA ASP A 60 23.787 8.619 -21.741 1.00 0.00 C ATOM 911 C ASP A 60 24.967 9.111 -20.901 1.00 0.00 C ATOM 912 O ASP A 60 26.117 8.772 -21.180 1.00 0.00 O ATOM 913 CB ASP A 60 23.352 9.762 -22.660 1.00 0.00 C ATOM 914 CG ASP A 60 24.413 10.227 -23.659 1.00 0.00 C ATOM 915 OD1 ASP A 60 25.239 9.374 -24.049 1.00 0.00 O ATOM 916 OD2 ASP A 60 24.375 11.426 -24.009 1.00 0.00 O ATOM 0 H ASP A 60 21.838 8.742 -20.977 1.00 0.00 H new ATOM 0 HA ASP A 60 24.068 7.757 -22.346 1.00 0.00 H new ATOM 0 HB2 ASP A 60 22.467 9.447 -23.213 1.00 0.00 H new ATOM 0 HB3 ASP A 60 23.057 10.612 -22.044 1.00 0.00 H new ATOM 921 N VAL A 61 24.643 9.901 -19.889 1.00 0.00 N ATOM 922 CA VAL A 61 25.662 10.443 -19.006 1.00 0.00 C ATOM 923 C VAL A 61 26.281 9.306 -18.191 1.00 0.00 C ATOM 924 O VAL A 61 27.347 9.471 -17.598 1.00 0.00 O ATOM 925 CB VAL A 61 25.065 11.549 -18.133 1.00 0.00 C ATOM 926 CG1 VAL A 61 24.313 12.574 -18.984 1.00 0.00 C ATOM 927 CG2 VAL A 61 24.156 10.962 -17.052 1.00 0.00 C ATOM 0 H VAL A 61 23.689 10.179 -19.660 1.00 0.00 H new ATOM 0 HA VAL A 61 26.464 10.902 -19.585 1.00 0.00 H new ATOM 0 HB VAL A 61 25.887 12.065 -17.637 1.00 0.00 H new ATOM 0 HG11 VAL A 61 23.899 13.349 -18.339 1.00 0.00 H new ATOM 0 HG12 VAL A 61 24.999 13.026 -19.700 1.00 0.00 H new ATOM 0 HG13 VAL A 61 23.504 12.078 -19.521 1.00 0.00 H new ATOM 0 HG21 VAL A 61 23.744 11.769 -16.445 1.00 0.00 H new ATOM 0 HG22 VAL A 61 23.342 10.410 -17.522 1.00 0.00 H new ATOM 0 HG23 VAL A 61 24.733 10.289 -16.418 1.00 0.00 H new ATOM 937 N GLY A 62 25.588 8.178 -18.185 1.00 0.00 N ATOM 938 CA GLY A 62 26.056 7.015 -17.453 1.00 0.00 C ATOM 939 C GLY A 62 26.193 7.324 -15.960 1.00 0.00 C ATOM 940 O GLY A 62 27.278 7.662 -15.490 1.00 0.00 O ATOM 0 H GLY A 62 24.704 8.045 -18.676 1.00 0.00 H new ATOM 0 HA2 GLY A 62 25.360 6.188 -17.594 1.00 0.00 H new ATOM 0 HA3 GLY A 62 27.018 6.694 -17.851 1.00 0.00 H new ATOM 944 N HIS A 63 25.077 7.200 -15.258 1.00 0.00 N ATOM 945 CA HIS A 63 25.057 7.462 -13.829 1.00 0.00 C ATOM 946 C HIS A 63 25.794 6.342 -13.092 1.00 0.00 C ATOM 947 O HIS A 63 25.663 5.171 -13.444 1.00 0.00 O ATOM 948 CB HIS A 63 23.624 7.657 -13.331 1.00 0.00 C ATOM 949 CG HIS A 63 23.058 9.030 -13.611 1.00 0.00 C ATOM 950 ND1 HIS A 63 22.757 9.469 -14.888 1.00 0.00 N ATOM 951 CD2 HIS A 63 22.743 10.053 -12.766 1.00 0.00 C ATOM 952 CE1 HIS A 63 22.282 10.703 -14.803 1.00 0.00 C ATOM 953 NE2 HIS A 63 22.274 11.063 -13.487 1.00 0.00 N ATOM 0 H HIS A 63 24.179 6.921 -15.653 1.00 0.00 H new ATOM 0 HA HIS A 63 25.581 8.394 -13.620 1.00 0.00 H new ATOM 0 HB2 HIS A 63 22.983 6.909 -13.798 1.00 0.00 H new ATOM 0 HB3 HIS A 63 23.596 7.476 -12.257 1.00 0.00 H new ATOM 0 HD1 HIS A 63 22.880 8.934 -15.748 1.00 0.00 H new ATOM 0 HD2 HIS A 63 22.856 10.043 -11.692 1.00 0.00 H new ATOM 0 HE1 HIS A 63 21.958 11.317 -15.631 1.00 0.00 H new ATOM 961 N SER A 64 26.553 6.741 -12.081 1.00 0.00 N ATOM 962 CA SER A 64 27.311 5.785 -11.291 1.00 0.00 C ATOM 963 C SER A 64 26.399 5.125 -10.255 1.00 0.00 C ATOM 964 O SER A 64 25.264 5.554 -10.057 1.00 0.00 O ATOM 965 CB SER A 64 28.498 6.460 -10.602 1.00 0.00 C ATOM 966 OG SER A 64 29.581 6.685 -11.500 1.00 0.00 O ATOM 0 H SER A 64 26.659 7.713 -11.791 1.00 0.00 H new ATOM 0 HA SER A 64 27.703 5.019 -11.961 1.00 0.00 H new ATOM 0 HB2 SER A 64 28.177 7.411 -10.176 1.00 0.00 H new ATOM 0 HB3 SER A 64 28.838 5.838 -9.774 1.00 0.00 H new ATOM 0 HG SER A 64 30.318 7.119 -11.022 1.00 0.00 H new ATOM 972 N THR A 65 26.931 4.090 -9.621 1.00 0.00 N ATOM 973 CA THR A 65 26.181 3.366 -8.610 1.00 0.00 C ATOM 974 C THR A 65 25.599 4.337 -7.580 1.00 0.00 C ATOM 975 O THR A 65 24.421 4.250 -7.235 1.00 0.00 O ATOM 976 CB THR A 65 27.106 2.314 -7.996 1.00 0.00 C ATOM 977 OG1 THR A 65 26.868 1.145 -8.776 1.00 0.00 O ATOM 978 CG2 THR A 65 26.681 1.911 -6.583 1.00 0.00 C ATOM 0 H THR A 65 27.873 3.736 -9.788 1.00 0.00 H new ATOM 0 HA THR A 65 25.325 2.852 -9.047 1.00 0.00 H new ATOM 0 HB THR A 65 28.126 2.699 -7.972 1.00 0.00 H new ATOM 0 HG1 THR A 65 27.429 0.412 -8.447 1.00 0.00 H new ATOM 0 HG21 THR A 65 27.372 1.162 -6.195 1.00 0.00 H new ATOM 0 HG22 THR A 65 26.694 2.787 -5.935 1.00 0.00 H new ATOM 0 HG23 THR A 65 25.674 1.496 -6.611 1.00 0.00 H new ATOM 986 N ASP A 66 26.451 5.240 -7.118 1.00 0.00 N ATOM 987 CA ASP A 66 26.035 6.226 -6.134 1.00 0.00 C ATOM 988 C ASP A 66 24.641 6.744 -6.494 1.00 0.00 C ATOM 989 O ASP A 66 23.807 6.951 -5.615 1.00 0.00 O ATOM 990 CB ASP A 66 26.993 7.420 -6.114 1.00 0.00 C ATOM 991 CG ASP A 66 27.921 7.485 -4.899 1.00 0.00 C ATOM 992 OD1 ASP A 66 28.975 6.816 -4.954 1.00 0.00 O ATOM 993 OD2 ASP A 66 27.554 8.201 -3.942 1.00 0.00 O ATOM 0 H ASP A 66 27.427 5.310 -7.406 1.00 0.00 H new ATOM 0 HA ASP A 66 26.034 5.747 -5.155 1.00 0.00 H new ATOM 0 HB2 ASP A 66 27.603 7.392 -7.017 1.00 0.00 H new ATOM 0 HB3 ASP A 66 26.406 8.338 -6.154 1.00 0.00 H new ATOM 998 N ALA A 67 24.434 6.937 -7.788 1.00 0.00 N ATOM 999 CA ALA A 67 23.154 7.426 -8.275 1.00 0.00 C ATOM 1000 C ALA A 67 22.089 6.347 -8.071 1.00 0.00 C ATOM 1001 O ALA A 67 21.002 6.629 -7.572 1.00 0.00 O ATOM 1002 CB ALA A 67 23.291 7.841 -9.741 1.00 0.00 C ATOM 0 H ALA A 67 25.129 6.764 -8.514 1.00 0.00 H new ATOM 0 HA ALA A 67 22.841 8.307 -7.715 1.00 0.00 H new ATOM 0 HB1 ALA A 67 22.332 8.208 -10.107 1.00 0.00 H new ATOM 0 HB2 ALA A 67 24.038 8.630 -9.827 1.00 0.00 H new ATOM 0 HB3 ALA A 67 23.601 6.981 -10.335 1.00 0.00 H new ATOM 1008 N ARG A 68 22.440 5.132 -8.469 1.00 0.00 N ATOM 1009 CA ARG A 68 21.527 4.009 -8.337 1.00 0.00 C ATOM 1010 C ARG A 68 20.821 4.056 -6.981 1.00 0.00 C ATOM 1011 O ARG A 68 19.608 3.868 -6.902 1.00 0.00 O ATOM 1012 CB ARG A 68 22.270 2.679 -8.472 1.00 0.00 C ATOM 1013 CG ARG A 68 21.783 1.900 -9.697 1.00 0.00 C ATOM 1014 CD ARG A 68 21.998 0.397 -9.513 1.00 0.00 C ATOM 1015 NE ARG A 68 21.234 -0.352 -10.535 1.00 0.00 N ATOM 1016 CZ ARG A 68 21.447 -1.640 -10.839 1.00 0.00 C ATOM 1017 NH1 ARG A 68 22.404 -2.329 -10.202 1.00 0.00 N ATOM 1018 NH2 ARG A 68 20.705 -2.238 -11.781 1.00 0.00 N ATOM 0 H ARG A 68 23.343 4.901 -8.883 1.00 0.00 H new ATOM 0 HA ARG A 68 20.790 4.084 -9.136 1.00 0.00 H new ATOM 0 HB2 ARG A 68 23.341 2.864 -8.556 1.00 0.00 H new ATOM 0 HB3 ARG A 68 22.119 2.081 -7.573 1.00 0.00 H new ATOM 0 HG2 ARG A 68 20.725 2.102 -9.863 1.00 0.00 H new ATOM 0 HG3 ARG A 68 22.316 2.241 -10.585 1.00 0.00 H new ATOM 0 HD2 ARG A 68 23.059 0.160 -9.594 1.00 0.00 H new ATOM 0 HD3 ARG A 68 21.680 0.095 -8.515 1.00 0.00 H new ATOM 0 HE ARG A 68 20.499 0.143 -11.040 1.00 0.00 H new ATOM 0 HH11 ARG A 68 22.970 -1.873 -9.486 1.00 0.00 H new ATOM 0 HH12 ARG A 68 22.566 -3.309 -10.433 1.00 0.00 H new ATOM 0 HH21 ARG A 68 19.978 -1.713 -12.267 1.00 0.00 H new ATOM 0 HH22 ARG A 68 20.867 -3.218 -12.012 1.00 0.00 H new ATOM 1032 N GLU A 69 21.610 4.308 -5.947 1.00 0.00 N ATOM 1033 CA GLU A 69 21.076 4.382 -4.598 1.00 0.00 C ATOM 1034 C GLU A 69 20.114 5.565 -4.472 1.00 0.00 C ATOM 1035 O GLU A 69 18.985 5.407 -4.011 1.00 0.00 O ATOM 1036 CB GLU A 69 22.201 4.478 -3.566 1.00 0.00 C ATOM 1037 CG GLU A 69 22.346 3.168 -2.788 1.00 0.00 C ATOM 1038 CD GLU A 69 23.145 2.140 -3.591 1.00 0.00 C ATOM 1039 OE1 GLU A 69 24.212 2.530 -4.110 1.00 0.00 O ATOM 1040 OE2 GLU A 69 22.670 0.986 -3.667 1.00 0.00 O ATOM 0 H GLU A 69 22.616 4.464 -6.016 1.00 0.00 H new ATOM 0 HA GLU A 69 20.522 3.465 -4.398 1.00 0.00 H new ATOM 0 HB2 GLU A 69 23.140 4.713 -4.067 1.00 0.00 H new ATOM 0 HB3 GLU A 69 21.996 5.295 -2.874 1.00 0.00 H new ATOM 0 HG2 GLU A 69 22.844 3.359 -1.837 1.00 0.00 H new ATOM 0 HG3 GLU A 69 21.359 2.767 -2.557 1.00 0.00 H new ATOM 1047 N LEU A 70 20.597 6.726 -4.891 1.00 0.00 N ATOM 1048 CA LEU A 70 19.794 7.936 -4.832 1.00 0.00 C ATOM 1049 C LEU A 70 18.517 7.737 -5.651 1.00 0.00 C ATOM 1050 O LEU A 70 17.422 7.682 -5.096 1.00 0.00 O ATOM 1051 CB LEU A 70 20.620 9.149 -5.265 1.00 0.00 C ATOM 1052 CG LEU A 70 21.438 9.830 -4.166 1.00 0.00 C ATOM 1053 CD1 LEU A 70 21.933 8.810 -3.139 1.00 0.00 C ATOM 1054 CD2 LEU A 70 22.587 10.645 -4.764 1.00 0.00 C ATOM 0 H LEU A 70 21.534 6.854 -5.273 1.00 0.00 H new ATOM 0 HA LEU A 70 19.486 8.139 -3.806 1.00 0.00 H new ATOM 0 HB2 LEU A 70 21.301 8.836 -6.056 1.00 0.00 H new ATOM 0 HB3 LEU A 70 19.945 9.887 -5.699 1.00 0.00 H new ATOM 0 HG LEU A 70 20.788 10.528 -3.639 1.00 0.00 H new ATOM 0 HD11 LEU A 70 22.512 9.320 -2.369 1.00 0.00 H new ATOM 0 HD12 LEU A 70 21.079 8.311 -2.681 1.00 0.00 H new ATOM 0 HD13 LEU A 70 22.562 8.070 -3.635 1.00 0.00 H new ATOM 0 HD21 LEU A 70 23.153 11.119 -3.962 1.00 0.00 H new ATOM 0 HD22 LEU A 70 23.244 9.986 -5.331 1.00 0.00 H new ATOM 0 HD23 LEU A 70 22.184 11.412 -5.425 1.00 0.00 H new ATOM 1066 N SER A 71 18.702 7.634 -6.959 1.00 0.00 N ATOM 1067 CA SER A 71 17.579 7.442 -7.861 1.00 0.00 C ATOM 1068 C SER A 71 16.483 6.631 -7.166 1.00 0.00 C ATOM 1069 O SER A 71 15.347 7.088 -7.049 1.00 0.00 O ATOM 1070 CB SER A 71 18.019 6.745 -9.149 1.00 0.00 C ATOM 1071 OG SER A 71 18.942 5.689 -8.896 1.00 0.00 O ATOM 0 H SER A 71 19.613 7.680 -7.416 1.00 0.00 H new ATOM 0 HA SER A 71 17.184 8.422 -8.128 1.00 0.00 H new ATOM 0 HB2 SER A 71 17.144 6.346 -9.663 1.00 0.00 H new ATOM 0 HB3 SER A 71 18.477 7.474 -9.818 1.00 0.00 H new ATOM 0 HG SER A 71 19.761 6.057 -8.503 1.00 0.00 H new ATOM 1077 N LYS A 72 16.862 5.441 -6.724 1.00 0.00 N ATOM 1078 CA LYS A 72 15.926 4.562 -6.044 1.00 0.00 C ATOM 1079 C LYS A 72 15.323 5.295 -4.845 1.00 0.00 C ATOM 1080 O LYS A 72 14.103 5.367 -4.706 1.00 0.00 O ATOM 1081 CB LYS A 72 16.602 3.239 -5.679 1.00 0.00 C ATOM 1082 CG LYS A 72 15.563 2.144 -5.424 1.00 0.00 C ATOM 1083 CD LYS A 72 15.441 1.842 -3.929 1.00 0.00 C ATOM 1084 CE LYS A 72 14.371 2.721 -3.277 1.00 0.00 C ATOM 1085 NZ LYS A 72 13.715 1.999 -2.165 1.00 0.00 N ATOM 0 H LYS A 72 17.805 5.065 -6.824 1.00 0.00 H new ATOM 0 HA LYS A 72 15.101 4.300 -6.706 1.00 0.00 H new ATOM 0 HB2 LYS A 72 17.268 2.932 -6.485 1.00 0.00 H new ATOM 0 HB3 LYS A 72 17.218 3.374 -4.790 1.00 0.00 H new ATOM 0 HG2 LYS A 72 14.595 2.458 -5.816 1.00 0.00 H new ATOM 0 HG3 LYS A 72 15.845 1.238 -5.960 1.00 0.00 H new ATOM 0 HD2 LYS A 72 15.190 0.791 -3.786 1.00 0.00 H new ATOM 0 HD3 LYS A 72 16.401 2.010 -3.441 1.00 0.00 H new ATOM 0 HE2 LYS A 72 14.824 3.640 -2.905 1.00 0.00 H new ATOM 0 HE3 LYS A 72 13.627 3.010 -4.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 12.992 2.609 -1.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 13.266 1.135 -2.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 14.425 1.745 -1.449 1.00 0.00 H new ATOM 1099 N THR A 73 16.205 5.823 -4.009 1.00 0.00 N ATOM 1100 CA THR A 73 15.775 6.548 -2.826 1.00 0.00 C ATOM 1101 C THR A 73 14.870 7.718 -3.218 1.00 0.00 C ATOM 1102 O THR A 73 13.977 8.097 -2.461 1.00 0.00 O ATOM 1103 CB THR A 73 17.025 6.979 -2.055 1.00 0.00 C ATOM 1104 OG1 THR A 73 17.063 6.097 -0.936 1.00 0.00 O ATOM 1105 CG2 THR A 73 16.877 8.368 -1.430 1.00 0.00 C ATOM 0 H THR A 73 17.216 5.763 -4.128 1.00 0.00 H new ATOM 0 HA THR A 73 15.174 5.917 -2.172 1.00 0.00 H new ATOM 0 HB THR A 73 17.885 6.972 -2.724 1.00 0.00 H new ATOM 0 HG1 THR A 73 17.844 6.305 -0.382 1.00 0.00 H new ATOM 0 HG21 THR A 73 17.791 8.625 -0.895 1.00 0.00 H new ATOM 0 HG22 THR A 73 16.697 9.103 -2.215 1.00 0.00 H new ATOM 0 HG23 THR A 73 16.038 8.367 -0.735 1.00 0.00 H new ATOM 1113 N TYR A 74 15.131 8.256 -4.400 1.00 0.00 N ATOM 1114 CA TYR A 74 14.350 9.375 -4.901 1.00 0.00 C ATOM 1115 C TYR A 74 13.295 8.902 -5.902 1.00 0.00 C ATOM 1116 O TYR A 74 13.054 9.559 -6.914 1.00 0.00 O ATOM 1117 CB TYR A 74 15.342 10.292 -5.621 1.00 0.00 C ATOM 1118 CG TYR A 74 16.159 11.183 -4.682 1.00 0.00 C ATOM 1119 CD1 TYR A 74 17.321 10.704 -4.113 1.00 0.00 C ATOM 1120 CD2 TYR A 74 15.733 12.467 -4.405 1.00 0.00 C ATOM 1121 CE1 TYR A 74 18.089 11.543 -3.230 1.00 0.00 C ATOM 1122 CE2 TYR A 74 16.501 13.305 -3.522 1.00 0.00 C ATOM 1123 CZ TYR A 74 17.641 12.802 -2.979 1.00 0.00 C ATOM 1124 OH TYR A 74 18.366 13.594 -2.144 1.00 0.00 O ATOM 0 H TYR A 74 15.872 7.938 -5.025 1.00 0.00 H new ATOM 0 HA TYR A 74 13.831 9.877 -4.084 1.00 0.00 H new ATOM 0 HB2 TYR A 74 16.025 9.680 -6.211 1.00 0.00 H new ATOM 0 HB3 TYR A 74 14.795 10.924 -6.321 1.00 0.00 H new ATOM 0 HD1 TYR A 74 17.655 9.700 -4.330 1.00 0.00 H new ATOM 0 HD2 TYR A 74 14.824 12.842 -4.851 1.00 0.00 H new ATOM 0 HE1 TYR A 74 19.000 11.181 -2.777 1.00 0.00 H new ATOM 0 HE2 TYR A 74 16.179 14.311 -3.296 1.00 0.00 H new ATOM 0 HH TYR A 74 18.181 13.345 -1.214 1.00 0.00 H new ATOM 1134 N ILE A 75 12.691 7.765 -5.584 1.00 0.00 N ATOM 1135 CA ILE A 75 11.666 7.197 -6.442 1.00 0.00 C ATOM 1136 C ILE A 75 10.338 7.154 -5.683 1.00 0.00 C ATOM 1137 O ILE A 75 10.310 6.854 -4.492 1.00 0.00 O ATOM 1138 CB ILE A 75 12.111 5.836 -6.980 1.00 0.00 C ATOM 1139 CG1 ILE A 75 11.437 5.526 -8.318 1.00 0.00 C ATOM 1140 CG2 ILE A 75 11.868 4.733 -5.948 1.00 0.00 C ATOM 1141 CD1 ILE A 75 12.069 4.301 -8.980 1.00 0.00 C ATOM 0 H ILE A 75 12.893 7.223 -4.744 1.00 0.00 H new ATOM 0 HA ILE A 75 11.512 7.826 -7.319 1.00 0.00 H new ATOM 0 HB ILE A 75 13.185 5.877 -7.163 1.00 0.00 H new ATOM 0 HG12 ILE A 75 10.373 5.350 -8.161 1.00 0.00 H new ATOM 0 HG13 ILE A 75 11.523 6.387 -8.981 1.00 0.00 H new ATOM 0 HG21 ILE A 75 12.193 3.776 -6.355 1.00 0.00 H new ATOM 0 HG22 ILE A 75 12.432 4.952 -5.042 1.00 0.00 H new ATOM 0 HG23 ILE A 75 10.805 4.684 -5.711 1.00 0.00 H new ATOM 0 HD11 ILE A 75 11.571 4.103 -9.929 1.00 0.00 H new ATOM 0 HD12 ILE A 75 13.128 4.489 -9.158 1.00 0.00 H new ATOM 0 HD13 ILE A 75 11.959 3.436 -8.325 1.00 0.00 H new ATOM 1153 N ILE A 76 9.270 7.459 -6.407 1.00 0.00 N ATOM 1154 CA ILE A 76 7.942 7.458 -5.817 1.00 0.00 C ATOM 1155 C ILE A 76 7.044 6.494 -6.593 1.00 0.00 C ATOM 1156 O ILE A 76 6.224 5.792 -6.004 1.00 0.00 O ATOM 1157 CB ILE A 76 7.391 8.884 -5.736 1.00 0.00 C ATOM 1158 CG1 ILE A 76 6.772 9.307 -7.069 1.00 0.00 C ATOM 1159 CG2 ILE A 76 8.469 9.863 -5.267 1.00 0.00 C ATOM 1160 CD1 ILE A 76 7.848 9.786 -8.046 1.00 0.00 C ATOM 0 H ILE A 76 9.298 7.708 -7.396 1.00 0.00 H new ATOM 0 HA ILE A 76 7.982 7.098 -4.789 1.00 0.00 H new ATOM 0 HB ILE A 76 6.596 8.902 -4.991 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.228 8.468 -7.504 1.00 0.00 H new ATOM 0 HG13 ILE A 76 6.048 10.104 -6.901 1.00 0.00 H new ATOM 0 HG21 ILE A 76 8.051 10.868 -5.218 1.00 0.00 H new ATOM 0 HG22 ILE A 76 8.823 9.569 -4.279 1.00 0.00 H new ATOM 0 HG23 ILE A 76 9.302 9.850 -5.969 1.00 0.00 H new ATOM 0 HD11 ILE A 76 7.381 10.081 -8.986 1.00 0.00 H new ATOM 0 HD12 ILE A 76 8.374 10.640 -7.618 1.00 0.00 H new ATOM 0 HD13 ILE A 76 8.557 8.979 -8.231 1.00 0.00 H new ATOM 1172 N GLY A 77 7.228 6.491 -7.906 1.00 0.00 N ATOM 1173 CA GLY A 77 6.444 5.625 -8.770 1.00 0.00 C ATOM 1174 C GLY A 77 6.743 5.905 -10.244 1.00 0.00 C ATOM 1175 O GLY A 77 7.649 6.675 -10.562 1.00 0.00 O ATOM 0 H GLY A 77 7.909 7.075 -8.392 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.664 4.582 -8.542 1.00 0.00 H new ATOM 0 HA3 GLY A 77 5.382 5.776 -8.576 1.00 0.00 H new ATOM 1179 N GLU A 78 5.966 5.265 -11.104 1.00 0.00 N ATOM 1180 CA GLU A 78 6.135 5.436 -12.537 1.00 0.00 C ATOM 1181 C GLU A 78 4.910 6.128 -13.139 1.00 0.00 C ATOM 1182 O GLU A 78 3.890 6.285 -12.468 1.00 0.00 O ATOM 1183 CB GLU A 78 6.398 4.093 -13.222 1.00 0.00 C ATOM 1184 CG GLU A 78 5.207 3.149 -13.052 1.00 0.00 C ATOM 1185 CD GLU A 78 4.935 2.371 -14.341 1.00 0.00 C ATOM 1186 OE1 GLU A 78 5.560 1.301 -14.501 1.00 0.00 O ATOM 1187 OE2 GLU A 78 4.108 2.864 -15.137 1.00 0.00 O ATOM 0 H GLU A 78 5.217 4.627 -10.836 1.00 0.00 H new ATOM 0 HA GLU A 78 7.005 6.070 -12.707 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.591 4.253 -14.283 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.293 3.635 -12.801 1.00 0.00 H new ATOM 0 HG2 GLU A 78 5.404 2.452 -12.237 1.00 0.00 H new ATOM 0 HG3 GLU A 78 4.322 3.721 -12.775 1.00 0.00 H new ATOM 1194 N LEU A 79 5.050 6.523 -14.395 1.00 0.00 N ATOM 1195 CA LEU A 79 3.967 7.194 -15.094 1.00 0.00 C ATOM 1196 C LEU A 79 3.305 6.212 -16.062 1.00 0.00 C ATOM 1197 O LEU A 79 3.942 5.269 -16.529 1.00 0.00 O ATOM 1198 CB LEU A 79 4.473 8.473 -15.764 1.00 0.00 C ATOM 1199 CG LEU A 79 5.144 8.295 -17.128 1.00 0.00 C ATOM 1200 CD1 LEU A 79 6.243 7.230 -17.064 1.00 0.00 C ATOM 1201 CD2 LEU A 79 4.109 7.985 -18.212 1.00 0.00 C ATOM 0 H LEU A 79 5.897 6.391 -14.948 1.00 0.00 H new ATOM 0 HA LEU A 79 3.199 7.514 -14.390 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.631 9.155 -15.882 1.00 0.00 H new ATOM 0 HB3 LEU A 79 5.183 8.955 -15.092 1.00 0.00 H new ATOM 0 HG LEU A 79 5.622 9.236 -17.399 1.00 0.00 H new ATOM 0 HD11 LEU A 79 6.704 7.123 -18.046 1.00 0.00 H new ATOM 0 HD12 LEU A 79 6.999 7.531 -16.339 1.00 0.00 H new ATOM 0 HD13 LEU A 79 5.809 6.277 -16.761 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.612 7.863 -19.171 1.00 0.00 H new ATOM 0 HD22 LEU A 79 3.582 7.065 -17.959 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.395 8.806 -18.279 1.00 0.00 H new ATOM 1213 N HIS A 80 2.034 6.467 -16.337 1.00 0.00 N ATOM 1214 CA HIS A 80 1.278 5.618 -17.241 1.00 0.00 C ATOM 1215 C HIS A 80 2.167 5.198 -18.414 1.00 0.00 C ATOM 1216 O HIS A 80 2.537 6.026 -19.244 1.00 0.00 O ATOM 1217 CB HIS A 80 -0.009 6.312 -17.691 1.00 0.00 C ATOM 1218 CG HIS A 80 -1.216 5.406 -17.726 1.00 0.00 C ATOM 1219 ND1 HIS A 80 -2.386 5.741 -18.383 1.00 0.00 N ATOM 1220 CD2 HIS A 80 -1.421 4.173 -17.179 1.00 0.00 C ATOM 1221 CE1 HIS A 80 -3.251 4.748 -18.233 1.00 0.00 C ATOM 1222 NE2 HIS A 80 -2.651 3.778 -17.485 1.00 0.00 N ATOM 0 H HIS A 80 1.509 7.250 -15.949 1.00 0.00 H new ATOM 0 HA HIS A 80 0.969 4.711 -16.721 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -0.213 7.146 -17.020 1.00 0.00 H new ATOM 0 HB3 HIS A 80 0.146 6.733 -18.685 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -0.704 3.613 -16.596 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -4.254 4.713 -18.632 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -3.077 2.894 -17.206 1.00 0.00 H new ATOM 1230 N PRO A 81 2.492 3.878 -18.445 1.00 0.00 N ATOM 1231 CA PRO A 81 3.330 3.338 -19.502 1.00 0.00 C ATOM 1232 C PRO A 81 2.549 3.212 -20.811 1.00 0.00 C ATOM 1233 O PRO A 81 3.113 2.853 -21.844 1.00 0.00 O ATOM 1234 CB PRO A 81 3.819 2.001 -18.972 1.00 0.00 C ATOM 1235 CG PRO A 81 2.873 1.628 -17.842 1.00 0.00 C ATOM 1236 CD PRO A 81 2.071 2.867 -17.478 1.00 0.00 C ATOM 0 HA PRO A 81 4.171 3.987 -19.744 1.00 0.00 H new ATOM 0 HB2 PRO A 81 3.809 1.243 -19.756 1.00 0.00 H new ATOM 0 HB3 PRO A 81 4.846 2.075 -18.613 1.00 0.00 H new ATOM 0 HG2 PRO A 81 2.209 0.821 -18.151 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.433 1.268 -16.979 1.00 0.00 H new ATOM 0 HD2 PRO A 81 0.999 2.678 -17.543 1.00 0.00 H new ATOM 0 HD3 PRO A 81 2.277 3.186 -16.456 1.00 0.00 H new ATOM 1244 N ASP A 82 1.262 3.516 -20.727 1.00 0.00 N ATOM 1245 CA ASP A 82 0.397 3.441 -21.891 1.00 0.00 C ATOM 1246 C ASP A 82 0.585 4.699 -22.742 1.00 0.00 C ATOM 1247 O ASP A 82 0.601 4.625 -23.970 1.00 0.00 O ATOM 1248 CB ASP A 82 -1.075 3.364 -21.481 1.00 0.00 C ATOM 1249 CG ASP A 82 -1.993 2.670 -22.490 1.00 0.00 C ATOM 1250 OD1 ASP A 82 -1.471 1.811 -23.234 1.00 0.00 O ATOM 1251 OD2 ASP A 82 -3.195 3.014 -22.495 1.00 0.00 O ATOM 0 H ASP A 82 0.798 3.815 -19.870 1.00 0.00 H new ATOM 0 HA ASP A 82 0.662 2.544 -22.450 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -1.144 2.838 -20.529 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -1.443 4.376 -21.314 1.00 0.00 H new ATOM 1256 N ASP A 83 0.723 5.824 -22.056 1.00 0.00 N ATOM 1257 CA ASP A 83 0.909 7.096 -22.733 1.00 0.00 C ATOM 1258 C ASP A 83 2.394 7.465 -22.716 1.00 0.00 C ATOM 1259 O ASP A 83 2.744 8.644 -22.705 1.00 0.00 O ATOM 1260 CB ASP A 83 0.136 8.212 -22.030 1.00 0.00 C ATOM 1261 CG ASP A 83 -1.383 8.034 -22.010 1.00 0.00 C ATOM 1262 OD1 ASP A 83 -1.821 6.935 -21.605 1.00 0.00 O ATOM 1263 OD2 ASP A 83 -2.074 9.000 -22.402 1.00 0.00 O ATOM 0 H ASP A 83 0.710 5.881 -21.038 1.00 0.00 H new ATOM 0 HA ASP A 83 0.542 6.992 -23.754 1.00 0.00 H new ATOM 0 HB2 ASP A 83 0.491 8.288 -21.002 1.00 0.00 H new ATOM 0 HB3 ASP A 83 0.369 9.158 -22.518 1.00 0.00 H new ATOM 1268 N ARG A 84 3.227 6.435 -22.715 1.00 0.00 N ATOM 1269 CA ARG A 84 4.666 6.636 -22.699 1.00 0.00 C ATOM 1270 C ARG A 84 5.163 7.026 -24.092 1.00 0.00 C ATOM 1271 O ARG A 84 6.321 7.407 -24.258 1.00 0.00 O ATOM 1272 CB ARG A 84 5.394 5.371 -22.241 1.00 0.00 C ATOM 1273 CG ARG A 84 5.393 4.309 -23.343 1.00 0.00 C ATOM 1274 CD ARG A 84 6.637 3.422 -23.250 1.00 0.00 C ATOM 1275 NE ARG A 84 7.774 4.069 -23.941 1.00 0.00 N ATOM 1276 CZ ARG A 84 8.003 3.977 -25.258 1.00 0.00 C ATOM 1277 NH1 ARG A 84 7.175 3.263 -26.034 1.00 0.00 N ATOM 1278 NH2 ARG A 84 9.059 4.598 -25.800 1.00 0.00 N ATOM 0 H ARG A 84 2.933 5.458 -22.725 1.00 0.00 H new ATOM 0 HA ARG A 84 4.880 7.440 -21.995 1.00 0.00 H new ATOM 0 HB2 ARG A 84 6.420 5.616 -21.968 1.00 0.00 H new ATOM 0 HB3 ARG A 84 4.913 4.973 -21.347 1.00 0.00 H new ATOM 0 HG2 ARG A 84 4.497 3.694 -23.260 1.00 0.00 H new ATOM 0 HG3 ARG A 84 5.359 4.793 -24.319 1.00 0.00 H new ATOM 0 HD2 ARG A 84 6.890 3.245 -22.205 1.00 0.00 H new ATOM 0 HD3 ARG A 84 6.434 2.449 -23.698 1.00 0.00 H new ATOM 0 HE ARG A 84 8.424 4.619 -23.380 1.00 0.00 H new ATOM 0 HH11 ARG A 84 6.371 2.790 -25.622 1.00 0.00 H new ATOM 0 HH12 ARG A 84 7.349 3.193 -27.037 1.00 0.00 H new ATOM 0 HH21 ARG A 84 9.689 5.141 -25.210 1.00 0.00 H new ATOM 0 HH22 ARG A 84 9.233 4.528 -26.803 1.00 0.00 H new ATOM 1292 N SER A 85 4.262 6.918 -25.058 1.00 0.00 N ATOM 1293 CA SER A 85 4.594 7.255 -26.431 1.00 0.00 C ATOM 1294 C SER A 85 4.132 8.679 -26.748 1.00 0.00 C ATOM 1295 O SER A 85 3.765 8.978 -27.883 1.00 0.00 O ATOM 1296 CB SER A 85 3.964 6.263 -27.410 1.00 0.00 C ATOM 1297 OG SER A 85 4.618 4.997 -27.382 1.00 0.00 O ATOM 0 H SER A 85 3.303 6.602 -24.916 1.00 0.00 H new ATOM 0 HA SER A 85 5.677 7.198 -26.544 1.00 0.00 H new ATOM 0 HB2 SER A 85 2.910 6.132 -27.165 1.00 0.00 H new ATOM 0 HB3 SER A 85 4.009 6.672 -28.419 1.00 0.00 H new ATOM 0 HG SER A 85 4.185 4.391 -28.019 1.00 0.00 H new ATOM 1303 N LYS A 86 4.163 9.519 -25.724 1.00 0.00 N ATOM 1304 CA LYS A 86 3.752 10.904 -25.879 1.00 0.00 C ATOM 1305 C LYS A 86 4.993 11.787 -26.026 1.00 0.00 C ATOM 1306 O LYS A 86 4.946 12.981 -25.736 1.00 0.00 O ATOM 1307 CB LYS A 86 2.833 11.322 -24.729 1.00 0.00 C ATOM 1308 CG LYS A 86 1.424 10.756 -24.919 1.00 0.00 C ATOM 1309 CD LYS A 86 0.445 11.854 -25.343 1.00 0.00 C ATOM 1310 CE LYS A 86 -0.409 11.398 -26.528 1.00 0.00 C ATOM 1311 NZ LYS A 86 0.314 11.612 -27.802 1.00 0.00 N ATOM 0 H LYS A 86 4.467 9.267 -24.783 1.00 0.00 H new ATOM 0 HA LYS A 86 3.163 11.027 -26.788 1.00 0.00 H new ATOM 0 HB2 LYS A 86 3.245 10.971 -23.783 1.00 0.00 H new ATOM 0 HB3 LYS A 86 2.787 12.410 -24.672 1.00 0.00 H new ATOM 0 HG2 LYS A 86 1.443 9.969 -25.673 1.00 0.00 H new ATOM 0 HG3 LYS A 86 1.083 10.299 -23.990 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -0.200 12.115 -24.504 1.00 0.00 H new ATOM 0 HD3 LYS A 86 0.997 12.754 -25.613 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -0.660 10.343 -26.418 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -1.349 11.949 -26.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -0.280 11.297 -28.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 0.531 12.623 -27.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 1.199 11.066 -27.795 1.00 0.00 H new ATOM 1325 N ILE A 87 6.073 11.165 -26.476 1.00 0.00 N ATOM 1326 CA ILE A 87 7.323 11.880 -26.665 1.00 0.00 C ATOM 1327 C ILE A 87 7.430 12.336 -28.122 1.00 0.00 C ATOM 1328 O ILE A 87 7.777 13.484 -28.392 1.00 0.00 O ATOM 1329 CB ILE A 87 8.504 11.025 -26.201 1.00 0.00 C ATOM 1330 CG1 ILE A 87 8.565 10.960 -24.673 1.00 0.00 C ATOM 1331 CG2 ILE A 87 9.817 11.527 -26.806 1.00 0.00 C ATOM 1332 CD1 ILE A 87 8.796 9.525 -24.194 1.00 0.00 C ATOM 0 H ILE A 87 6.108 10.174 -26.715 1.00 0.00 H new ATOM 0 HA ILE A 87 7.345 12.778 -26.047 1.00 0.00 H new ATOM 0 HB ILE A 87 8.352 10.008 -26.562 1.00 0.00 H new ATOM 0 HG12 ILE A 87 9.368 11.602 -24.310 1.00 0.00 H new ATOM 0 HG13 ILE A 87 7.635 11.343 -24.252 1.00 0.00 H new ATOM 0 HG21 ILE A 87 10.640 10.902 -26.460 1.00 0.00 H new ATOM 0 HG22 ILE A 87 9.758 11.480 -27.893 1.00 0.00 H new ATOM 0 HG23 ILE A 87 9.990 12.558 -26.496 1.00 0.00 H new ATOM 0 HD11 ILE A 87 8.835 9.507 -23.105 1.00 0.00 H new ATOM 0 HD12 ILE A 87 7.979 8.891 -24.538 1.00 0.00 H new ATOM 0 HD13 ILE A 87 9.738 9.154 -24.597 1.00 0.00 H new ATOM 1344 N ALA A 88 7.125 11.412 -29.021 1.00 0.00 N ATOM 1345 CA ALA A 88 7.182 11.705 -30.444 1.00 0.00 C ATOM 1346 C ALA A 88 6.576 13.085 -30.701 1.00 0.00 C ATOM 1347 O ALA A 88 7.235 13.962 -31.258 1.00 0.00 O ATOM 1348 CB ALA A 88 6.464 10.599 -31.222 1.00 0.00 C ATOM 0 H ALA A 88 6.838 10.460 -28.792 1.00 0.00 H new ATOM 0 HA ALA A 88 8.215 11.729 -30.790 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.506 10.818 -32.289 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.951 9.643 -31.028 1.00 0.00 H new ATOM 0 HB3 ALA A 88 5.423 10.547 -30.903 1.00 0.00 H new TER 1354 ALA A 88 HETATM 1355 FE HEM A 95 22.586 12.766 -12.723 1.00 0.00 FE HETATM 1356 CHA HEM A 95 25.934 12.939 -12.963 1.00 0.00 C HETATM 1357 CHB HEM A 95 22.876 11.393 -9.630 1.00 0.00 C HETATM 1358 CHC HEM A 95 19.220 12.621 -12.489 1.00 0.00 C HETATM 1359 CHD HEM A 95 22.278 14.165 -15.821 1.00 0.00 C HETATM 1360 NA HEM A 95 24.125 12.262 -11.552 1.00 0.00 N HETATM 1361 C1A HEM A 95 25.449 12.431 -11.838 1.00 0.00 C HETATM 1362 C2A HEM A 95 26.235 11.935 -10.711 1.00 0.00 C HETATM 1363 C3A HEM A 95 25.369 11.509 -9.777 1.00 0.00 C HETATM 1364 C4A HEM A 95 24.050 11.725 -10.298 1.00 0.00 C HETATM 1365 CMA HEM A 95 25.751 10.877 -8.448 1.00 0.00 C HETATM 1366 CAA HEM A 95 27.676 11.314 -10.755 1.00 0.00 C HETATM 1367 CBA HEM A 95 28.878 12.045 -11.396 1.00 0.00 C HETATM 1368 CGA HEM A 95 29.476 11.290 -12.576 1.00 0.00 C HETATM 1369 O1A HEM A 95 28.742 10.503 -13.226 1.00 0.00 O HETATM 1370 O2A HEM A 95 30.680 11.486 -12.881 1.00 0.00 O HETATM 1371 NB HEM A 95 21.295 12.128 -11.347 1.00 0.00 N HETATM 1372 C1B HEM A 95 21.609 11.589 -10.137 1.00 0.00 C HETATM 1373 C2B HEM A 95 20.399 11.252 -9.406 1.00 0.00 C HETATM 1374 C3B HEM A 95 19.373 11.592 -10.200 1.00 0.00 C HETATM 1375 C4B HEM A 95 19.928 12.165 -11.426 1.00 0.00 C HETATM 1376 CMB HEM A 95 20.277 10.615 -8.031 1.00 0.00 C HETATM 1377 CAB HEM A 95 17.908 11.419 -9.878 1.00 0.00 C HETATM 1378 CBB HEM A 95 17.228 10.423 -9.682 1.00 0.00 C HETATM 1379 NC HEM A 95 21.044 13.302 -13.912 1.00 0.00 N HETATM 1380 C1C HEM A 95 19.716 13.148 -13.633 1.00 0.00 C HETATM 1381 C2C HEM A 95 18.918 13.621 -14.740 1.00 0.00 C HETATM 1382 C3C HEM A 95 19.807 14.089 -15.693 1.00 0.00 C HETATM 1383 C4C HEM A 95 21.121 13.858 -15.174 1.00 0.00 C HETATM 1384 CMC HEM A 95 17.432 13.669 -14.876 1.00 0.00 C HETATM 1385 CAC HEM A 95 19.403 14.683 -17.004 1.00 0.00 C HETATM 1386 CBC HEM A 95 18.482 15.220 -17.274 1.00 0.00 C HETATM 1387 ND HEM A 95 23.876 13.429 -14.112 1.00 0.00 N HETATM 1388 C1D HEM A 95 23.553 13.974 -15.340 1.00 0.00 C HETATM 1389 C2D HEM A 95 24.796 14.318 -16.058 1.00 0.00 C HETATM 1390 C3D HEM A 95 25.781 13.967 -15.247 1.00 0.00 C HETATM 1391 C4D HEM A 95 25.223 13.418 -14.036 1.00 0.00 C HETATM 1392 CMD HEM A 95 24.876 14.944 -17.418 1.00 0.00 C HETATM 1393 CAD HEM A 95 27.363 14.282 -15.280 1.00 0.00 C HETATM 1394 CBD HEM A 95 27.910 14.116 -16.719 1.00 0.00 C HETATM 1395 CGD HEM A 95 29.255 13.391 -16.729 1.00 0.00 C HETATM 1396 O1D HEM A 95 30.045 13.343 -15.787 1.00 0.00 O HETATM 1397 O2D HEM A 95 29.561 13.090 -17.983 1.00 0.00 O HETATM 0 HMA1 HEM A 95 24.969 11.072 -7.714 1.00 0.00 H new HETATM 0 HMA2 HEM A 95 26.691 11.305 -8.099 1.00 0.00 H new HETATM 0 HMA3 HEM A 95 25.868 9.801 -8.577 1.00 0.00 H new HETATM 0 HMB1 HEM A 95 19.362 10.960 -7.550 1.00 0.00 H new HETATM 0 HMB2 HEM A 95 21.135 10.898 -7.422 1.00 0.00 H new HETATM 0 HMB3 HEM A 95 20.247 9.530 -8.134 1.00 0.00 H new HETATM 0 HMC1 HEM A 95 16.988 12.857 -14.300 1.00 0.00 H new HETATM 0 HMC2 HEM A 95 17.159 13.561 -15.926 1.00 0.00 H new HETATM 0 HMC3 HEM A 95 17.063 14.624 -14.501 1.00 0.00 H new HETATM 0 HMD1 HEM A 95 24.012 14.641 -18.009 1.00 0.00 H new HETATM 0 HMD2 HEM A 95 25.789 14.617 -17.916 1.00 0.00 H new HETATM 0 HMD3 HEM A 95 24.885 16.029 -17.319 1.00 0.00 H new HETATM 0 HBB1 HEM A 95 16.166 10.523 -9.460 1.00 0.00 H new HETATM 0 HBB2 HEM A 95 17.684 9.434 -9.729 1.00 0.00 H new HETATM 0 HBC1 HEM A 95 18.346 15.592 -18.289 1.00 0.00 H new HETATM 0 HBC2 HEM A 95 17.705 15.380 -16.526 1.00 0.00 H new HETATM 0 HBA1 HEM A 95 29.649 12.196 -10.640 1.00 0.00 H new HETATM 0 HBA2 HEM A 95 28.560 13.033 -11.728 1.00 0.00 H new HETATM 0 HAA1 HEM A 95 27.586 10.355 -11.265 1.00 0.00 H new HETATM 0 HAA2 HEM A 95 27.955 11.101 -9.723 1.00 0.00 H new HETATM 0 HBD1 HEM A 95 28.021 15.096 -17.182 1.00 0.00 H new HETATM 0 HBD2 HEM A 95 27.191 13.559 -17.320 1.00 0.00 H new HETATM 0 HAD1 HEM A 95 27.890 13.609 -14.603 1.00 0.00 H new HETATM 0 HAD2 HEM A 95 27.547 15.297 -14.928 1.00 0.00 H new HETATM 0 HHA HEM A 95 27.010 12.981 -13.045 1.00 0.00 H new HETATM 0 HHB HEM A 95 22.963 10.952 -8.648 1.00 0.00 H new HETATM 0 HHC HEM A 95 18.144 12.557 -12.415 1.00 0.00 H new HETATM 0 HHD HEM A 95 22.187 14.600 -16.805 1.00 0.00 H new HETATM 0 HAB HEM A 95 17.355 12.356 -9.807 1.00 0.00 H new HETATM 0 HAC HEM A 95 20.127 14.567 -17.810 1.00 0.00 H new