USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 420 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 14 THR OG1 : rot -119:sc= 0.773 USER MOD Set 1.2: A 18 ASN : amide:sc= 0.808 K(o=1.6,f=-3.1!) USER MOD Single : A 11 GLN : amide:sc= -0.0405 K(o=-0.04,f=-0.92) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.075) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -162:sc= -1.56 (180deg=-1.64) USER MOD Single : A 25 SER OG : rot 180:sc= 0.0477 USER MOD Single : A 28 GLN : amide:sc= -0.229 X(o=-0.23,f=-0.074) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -153:sc= -0.0492 (180deg=-0.624) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.00487 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 99:sc= 1.28 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0.19) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -154:sc= 0.0115 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 11 -10.985 -11.722 -5.325 1.00 0.00 N ATOM 2 CA GLN A 11 -10.013 -12.527 -4.541 1.00 0.00 C ATOM 3 C GLN A 11 -9.983 -12.087 -3.080 1.00 0.00 C ATOM 4 O GLN A 11 -10.331 -10.951 -2.756 1.00 0.00 O ATOM 5 CB GLN A 11 -8.626 -12.367 -5.172 1.00 0.00 C ATOM 6 CG GLN A 11 -8.047 -13.668 -5.703 1.00 0.00 C ATOM 7 CD GLN A 11 -6.888 -13.446 -6.654 1.00 0.00 C ATOM 8 OE1 GLN A 11 -6.881 -12.490 -7.430 1.00 0.00 O ATOM 9 NE2 GLN A 11 -5.900 -14.331 -6.600 1.00 0.00 N ATOM 0 HA GLN A 11 -10.316 -13.574 -4.561 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -8.688 -11.647 -5.988 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -7.944 -11.951 -4.430 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -7.713 -14.281 -4.866 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -8.830 -14.227 -6.215 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -5.947 -15.108 -5.941 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -5.094 -14.234 -7.217 1.00 0.00 H new ATOM 18 N ALA A 12 -9.566 -12.991 -2.202 1.00 0.00 N ATOM 19 CA ALA A 12 -9.491 -12.698 -0.776 1.00 0.00 C ATOM 20 C ALA A 12 -8.154 -12.060 -0.415 1.00 0.00 C ATOM 21 O ALA A 12 -7.095 -12.642 -0.650 1.00 0.00 O ATOM 22 CB ALA A 12 -9.710 -13.965 0.036 1.00 0.00 C ATOM 0 H ALA A 12 -9.274 -13.935 -2.453 1.00 0.00 H new ATOM 0 HA ALA A 12 -10.280 -11.985 -0.536 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.651 -13.731 1.099 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -10.693 -14.377 -0.191 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -8.943 -14.697 -0.217 1.00 0.00 H new ATOM 28 N CYS A 13 -8.211 -10.860 0.154 1.00 0.00 N ATOM 29 CA CYS A 13 -7.004 -10.143 0.548 1.00 0.00 C ATOM 30 C CYS A 13 -6.941 -9.973 2.062 1.00 0.00 C ATOM 31 O CYS A 13 -7.928 -10.196 2.762 1.00 0.00 O ATOM 32 CB CYS A 13 -6.955 -8.772 -0.127 1.00 0.00 C ATOM 33 SG CYS A 13 -8.413 -7.731 0.205 1.00 0.00 S ATOM 0 H CYS A 13 -9.080 -10.364 0.352 1.00 0.00 H new ATOM 0 HA CYS A 13 -6.144 -10.732 0.228 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -6.061 -8.245 0.208 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -6.858 -8.912 -1.204 1.00 0.00 H new ATOM 38 N THR A 14 -5.775 -9.576 2.560 1.00 0.00 N ATOM 39 CA THR A 14 -5.586 -9.376 3.990 1.00 0.00 C ATOM 40 C THR A 14 -5.555 -7.889 4.331 1.00 0.00 C ATOM 41 O THR A 14 -4.656 -7.162 3.906 1.00 0.00 O ATOM 42 CB THR A 14 -4.293 -10.046 4.455 1.00 0.00 C ATOM 43 OG1 THR A 14 -4.150 -9.942 5.860 1.00 0.00 O ATOM 44 CG2 THR A 14 -3.051 -9.456 3.822 1.00 0.00 C ATOM 0 H THR A 14 -4.948 -9.387 1.994 1.00 0.00 H new ATOM 0 HA THR A 14 -6.428 -9.832 4.510 1.00 0.00 H new ATOM 0 HB THR A 14 -4.380 -11.087 4.143 1.00 0.00 H new ATOM 0 HG1 THR A 14 -3.335 -9.439 6.070 1.00 0.00 H new ATOM 0 HG21 THR A 14 -2.170 -9.977 4.195 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.107 -9.567 2.739 1.00 0.00 H new ATOM 0 HG23 THR A 14 -2.981 -8.398 4.075 1.00 0.00 H new ATOM 52 N LEU A 15 -6.541 -7.447 5.102 1.00 0.00 N ATOM 53 CA LEU A 15 -6.630 -6.047 5.505 1.00 0.00 C ATOM 54 C LEU A 15 -5.435 -5.658 6.371 1.00 0.00 C ATOM 55 O LEU A 15 -4.750 -6.521 6.919 1.00 0.00 O ATOM 56 CB LEU A 15 -7.935 -5.797 6.271 1.00 0.00 C ATOM 57 CG LEU A 15 -8.347 -6.910 7.237 1.00 0.00 C ATOM 58 CD1 LEU A 15 -8.881 -6.325 8.536 1.00 0.00 C ATOM 59 CD2 LEU A 15 -9.386 -7.820 6.593 1.00 0.00 C ATOM 0 H LEU A 15 -7.291 -8.037 5.461 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.622 -5.431 4.606 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.835 -4.868 6.833 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.738 -5.648 5.549 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.464 -7.505 7.468 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -9.168 -7.134 9.208 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.107 -5.719 9.007 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.751 -5.703 8.324 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.667 -8.605 7.295 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -10.268 -7.236 6.330 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.967 -8.270 5.693 1.00 0.00 H new ATOM 71 N PRO A 16 -5.167 -4.346 6.510 1.00 0.00 N ATOM 72 CA PRO A 16 -4.049 -3.850 7.317 1.00 0.00 C ATOM 73 C PRO A 16 -4.036 -4.454 8.719 1.00 0.00 C ATOM 74 O PRO A 16 -2.987 -4.541 9.357 1.00 0.00 O ATOM 75 CB PRO A 16 -4.287 -2.332 7.386 1.00 0.00 C ATOM 76 CG PRO A 16 -5.663 -2.112 6.845 1.00 0.00 C ATOM 77 CD PRO A 16 -5.924 -3.248 5.900 1.00 0.00 C ATOM 0 HA PRO A 16 -3.087 -4.118 6.880 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -4.207 -1.970 8.411 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -3.544 -1.792 6.798 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -6.400 -2.096 7.648 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.731 -1.153 6.331 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -6.987 -3.479 5.826 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -5.576 -3.026 4.891 1.00 0.00 H new ATOM 85 N ASN A 17 -5.207 -4.871 9.191 1.00 0.00 N ATOM 86 CA ASN A 17 -5.329 -5.471 10.515 1.00 0.00 C ATOM 87 C ASN A 17 -5.012 -6.967 10.474 1.00 0.00 C ATOM 88 O ASN A 17 -4.806 -7.593 11.514 1.00 0.00 O ATOM 89 CB ASN A 17 -6.738 -5.249 11.069 1.00 0.00 C ATOM 90 CG ASN A 17 -6.743 -4.369 12.304 1.00 0.00 C ATOM 91 OD1 ASN A 17 -6.155 -3.286 12.310 1.00 0.00 O ATOM 92 ND2 ASN A 17 -7.405 -4.831 13.357 1.00 0.00 N ATOM 0 H ASN A 17 -6.085 -4.804 8.676 1.00 0.00 H new ATOM 0 HA ASN A 17 -4.606 -4.987 11.172 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -7.360 -4.793 10.299 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -7.186 -6.213 11.311 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -7.442 -4.284 14.217 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -7.877 -5.734 13.307 1.00 0.00 H new ATOM 99 N ASN A 18 -4.974 -7.533 9.270 1.00 0.00 N ATOM 100 CA ASN A 18 -4.683 -8.953 9.097 1.00 0.00 C ATOM 101 C ASN A 18 -5.764 -9.815 9.739 1.00 0.00 C ATOM 102 O ASN A 18 -5.617 -10.272 10.871 1.00 0.00 O ATOM 103 CB ASN A 18 -3.317 -9.294 9.696 1.00 0.00 C ATOM 104 CG ASN A 18 -2.193 -9.151 8.689 1.00 0.00 C ATOM 105 OD1 ASN A 18 -2.428 -8.863 7.514 1.00 0.00 O ATOM 106 ND2 ASN A 18 -0.961 -9.351 9.144 1.00 0.00 N ATOM 0 H ASN A 18 -5.141 -7.029 8.399 1.00 0.00 H new ATOM 0 HA ASN A 18 -4.665 -9.165 8.028 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -3.124 -8.642 10.548 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -3.334 -10.316 10.075 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -0.164 -9.268 8.512 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -0.812 -9.588 10.125 1.00 0.00 H new ATOM 113 N ASP A 19 -6.849 -10.036 9.003 1.00 0.00 N ATOM 114 CA ASP A 19 -7.955 -10.847 9.498 1.00 0.00 C ATOM 115 C ASP A 19 -8.760 -11.433 8.342 1.00 0.00 C ATOM 116 O ASP A 19 -9.950 -11.718 8.484 1.00 0.00 O ATOM 117 CB ASP A 19 -8.867 -10.010 10.397 1.00 0.00 C ATOM 118 CG ASP A 19 -8.455 -10.070 11.854 1.00 0.00 C ATOM 119 OD1 ASP A 19 -8.212 -11.188 12.357 1.00 0.00 O ATOM 120 OD2 ASP A 19 -8.373 -9.000 12.493 1.00 0.00 O ATOM 0 H ASP A 19 -6.985 -9.665 8.063 1.00 0.00 H new ATOM 0 HA ASP A 19 -7.538 -11.669 10.080 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -8.852 -8.973 10.060 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -9.894 -10.363 10.298 1.00 0.00 H new ATOM 125 N LYS A 20 -8.104 -11.614 7.199 1.00 0.00 N ATOM 126 CA LYS A 20 -8.759 -12.168 6.018 1.00 0.00 C ATOM 127 C LYS A 20 -9.879 -11.253 5.534 1.00 0.00 C ATOM 128 O LYS A 20 -10.638 -10.708 6.334 1.00 0.00 O ATOM 129 CB LYS A 20 -9.316 -13.560 6.322 1.00 0.00 C ATOM 130 CG LYS A 20 -8.275 -14.529 6.857 1.00 0.00 C ATOM 131 CD LYS A 20 -8.865 -15.455 7.910 1.00 0.00 C ATOM 132 CE LYS A 20 -8.518 -14.995 9.318 1.00 0.00 C ATOM 133 NZ LYS A 20 -7.644 -15.974 10.023 1.00 0.00 N ATOM 0 H LYS A 20 -7.119 -11.385 7.066 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.014 -12.248 5.226 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -10.123 -13.468 7.049 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -9.752 -13.974 5.413 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.871 -15.121 6.036 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -7.443 -13.971 7.287 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.948 -15.493 7.796 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -8.492 -16.467 7.755 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.016 -14.029 9.271 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.435 -14.850 9.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.431 -15.624 10.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.133 -16.890 10.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.758 -16.093 9.492 1.00 0.00 H new ATOM 147 N GLY A 21 -9.975 -11.089 4.218 1.00 0.00 N ATOM 148 CA GLY A 21 -11.005 -10.240 3.650 1.00 0.00 C ATOM 149 C GLY A 21 -11.177 -10.452 2.158 1.00 0.00 C ATOM 150 O GLY A 21 -10.790 -11.491 1.623 1.00 0.00 O ATOM 0 H GLY A 21 -9.358 -11.529 3.536 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -11.952 -10.437 4.153 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -10.755 -9.196 3.839 1.00 0.00 H new ATOM 154 N THR A 22 -11.763 -9.466 1.488 1.00 0.00 N ATOM 155 CA THR A 22 -11.991 -9.543 0.049 1.00 0.00 C ATOM 156 C THR A 22 -11.375 -8.344 -0.662 1.00 0.00 C ATOM 157 O THR A 22 -11.339 -7.240 -0.118 1.00 0.00 O ATOM 158 CB THR A 22 -13.489 -9.606 -0.247 1.00 0.00 C ATOM 159 OG1 THR A 22 -14.157 -10.408 0.712 1.00 0.00 O ATOM 160 CG2 THR A 22 -13.806 -10.166 -1.617 1.00 0.00 C ATOM 0 H THR A 22 -12.090 -8.601 1.919 1.00 0.00 H new ATOM 0 HA THR A 22 -11.514 -10.450 -0.322 1.00 0.00 H new ATOM 0 HB THR A 22 -13.835 -8.573 -0.207 1.00 0.00 H new ATOM 0 HG1 THR A 22 -15.115 -10.434 0.506 1.00 0.00 H new ATOM 0 HG21 THR A 22 -14.886 -10.183 -1.762 1.00 0.00 H new ATOM 0 HG22 THR A 22 -13.347 -9.539 -2.381 1.00 0.00 H new ATOM 0 HG23 THR A 22 -13.414 -11.180 -1.695 1.00 0.00 H new ATOM 168 N CYS A 23 -10.890 -8.565 -1.880 1.00 0.00 N ATOM 169 CA CYS A 23 -10.274 -7.496 -2.658 1.00 0.00 C ATOM 170 C CYS A 23 -11.036 -7.252 -3.955 1.00 0.00 C ATOM 171 O CYS A 23 -11.188 -8.154 -4.780 1.00 0.00 O ATOM 172 CB CYS A 23 -8.817 -7.837 -2.969 1.00 0.00 C ATOM 173 SG CYS A 23 -7.672 -6.430 -2.793 1.00 0.00 S ATOM 0 H CYS A 23 -10.911 -9.471 -2.348 1.00 0.00 H new ATOM 0 HA CYS A 23 -10.309 -6.585 -2.061 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -8.493 -8.640 -2.307 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -8.753 -8.219 -3.988 1.00 0.00 H new ATOM 178 N LYS A 24 -11.506 -6.022 -4.131 1.00 0.00 N ATOM 179 CA LYS A 24 -12.247 -5.648 -5.331 1.00 0.00 C ATOM 180 C LYS A 24 -11.941 -4.206 -5.722 1.00 0.00 C ATOM 181 O LYS A 24 -11.325 -3.463 -4.958 1.00 0.00 O ATOM 182 CB LYS A 24 -13.754 -5.828 -5.116 1.00 0.00 C ATOM 183 CG LYS A 24 -14.209 -5.576 -3.686 1.00 0.00 C ATOM 184 CD LYS A 24 -14.203 -4.093 -3.348 1.00 0.00 C ATOM 185 CE LYS A 24 -13.401 -3.814 -2.086 1.00 0.00 C ATOM 186 NZ LYS A 24 -12.804 -2.449 -2.099 1.00 0.00 N ATOM 0 H LYS A 24 -11.387 -5.266 -3.457 1.00 0.00 H new ATOM 0 HA LYS A 24 -11.932 -6.304 -6.142 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -14.289 -5.151 -5.781 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -14.033 -6.842 -5.402 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -15.213 -5.977 -3.547 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -13.555 -6.109 -2.996 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -13.781 -3.530 -4.181 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -15.227 -3.745 -3.214 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -14.047 -3.920 -1.214 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -12.609 -4.556 -1.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -12.036 -2.399 -1.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -12.424 -2.245 -3.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -13.535 -1.748 -1.862 1.00 0.00 H new ATOM 200 N SER A 25 -12.373 -3.816 -6.917 1.00 0.00 N ATOM 201 CA SER A 25 -12.142 -2.461 -7.408 1.00 0.00 C ATOM 202 C SER A 25 -12.696 -1.426 -6.433 1.00 0.00 C ATOM 203 O SER A 25 -13.194 -1.773 -5.363 1.00 0.00 O ATOM 204 CB SER A 25 -12.786 -2.278 -8.784 1.00 0.00 C ATOM 205 OG SER A 25 -12.343 -1.080 -9.398 1.00 0.00 O ATOM 0 H SER A 25 -12.884 -4.418 -7.563 1.00 0.00 H new ATOM 0 HA SER A 25 -11.066 -2.312 -7.495 1.00 0.00 H new ATOM 0 HB2 SER A 25 -12.541 -3.129 -9.420 1.00 0.00 H new ATOM 0 HB3 SER A 25 -13.871 -2.259 -8.682 1.00 0.00 H new ATOM 0 HG SER A 25 -12.767 -0.986 -10.277 1.00 0.00 H new ATOM 211 N LEU A 26 -12.604 -0.156 -6.810 1.00 0.00 N ATOM 212 CA LEU A 26 -13.095 0.928 -5.966 1.00 0.00 C ATOM 213 C LEU A 26 -14.519 1.320 -6.351 1.00 0.00 C ATOM 214 O LEU A 26 -14.876 2.498 -6.334 1.00 0.00 O ATOM 215 CB LEU A 26 -12.171 2.143 -6.072 1.00 0.00 C ATOM 216 CG LEU A 26 -12.179 2.846 -7.435 1.00 0.00 C ATOM 217 CD1 LEU A 26 -12.753 4.249 -7.312 1.00 0.00 C ATOM 218 CD2 LEU A 26 -10.775 2.894 -8.020 1.00 0.00 C ATOM 0 H LEU A 26 -12.195 0.149 -7.693 1.00 0.00 H new ATOM 0 HA LEU A 26 -13.104 0.575 -4.935 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -12.455 2.865 -5.306 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -11.152 1.826 -5.849 1.00 0.00 H new ATOM 0 HG LEU A 26 -12.815 2.274 -8.111 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -12.750 4.730 -8.290 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -13.776 4.192 -6.939 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -12.146 4.831 -6.619 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -10.801 3.396 -8.987 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.118 3.441 -7.344 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -10.399 1.879 -8.148 1.00 0.00 H new ATOM 230 N LEU A 27 -15.330 0.325 -6.698 1.00 0.00 N ATOM 231 CA LEU A 27 -16.714 0.567 -7.085 1.00 0.00 C ATOM 232 C LEU A 27 -17.591 -0.634 -6.744 1.00 0.00 C ATOM 233 O LEU A 27 -18.589 -0.898 -7.414 1.00 0.00 O ATOM 234 CB LEU A 27 -16.803 0.868 -8.583 1.00 0.00 C ATOM 235 CG LEU A 27 -16.153 2.182 -9.020 1.00 0.00 C ATOM 236 CD1 LEU A 27 -15.964 2.209 -10.528 1.00 0.00 C ATOM 237 CD2 LEU A 27 -16.992 3.367 -8.564 1.00 0.00 C ATOM 0 H LEU A 27 -15.052 -0.656 -6.719 1.00 0.00 H new ATOM 0 HA LEU A 27 -17.075 1.430 -6.526 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -16.336 0.050 -9.131 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -17.854 0.886 -8.872 1.00 0.00 H new ATOM 0 HG LEU A 27 -15.172 2.254 -8.551 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -15.500 3.151 -10.820 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -15.323 1.381 -10.829 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -16.933 2.114 -11.018 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -16.516 4.294 -8.883 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -17.987 3.300 -9.005 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -17.075 3.357 -7.477 1.00 0.00 H new ATOM 249 N GLN A 28 -17.210 -1.361 -5.698 1.00 0.00 N ATOM 250 CA GLN A 28 -17.960 -2.535 -5.267 1.00 0.00 C ATOM 251 C GLN A 28 -18.339 -2.428 -3.795 1.00 0.00 C ATOM 252 O GLN A 28 -19.492 -2.643 -3.422 1.00 0.00 O ATOM 253 CB GLN A 28 -17.141 -3.805 -5.504 1.00 0.00 C ATOM 254 CG GLN A 28 -16.747 -4.014 -6.958 1.00 0.00 C ATOM 255 CD GLN A 28 -16.828 -5.467 -7.380 1.00 0.00 C ATOM 256 OE1 GLN A 28 -15.877 -6.020 -7.931 1.00 0.00 O ATOM 257 NE2 GLN A 28 -17.971 -6.095 -7.125 1.00 0.00 N ATOM 0 H GLN A 28 -16.386 -1.157 -5.133 1.00 0.00 H new ATOM 0 HA GLN A 28 -18.876 -2.586 -5.856 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -16.238 -3.764 -4.894 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -17.716 -4.667 -5.165 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -17.398 -3.417 -7.597 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -15.731 -3.651 -7.111 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -18.734 -5.598 -6.666 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -18.085 -7.074 -7.388 1.00 0.00 H new ATOM 266 N CYS A 29 -17.359 -2.097 -2.958 1.00 0.00 N ATOM 267 CA CYS A 29 -17.593 -1.963 -1.525 1.00 0.00 C ATOM 268 C CYS A 29 -18.386 -0.695 -1.219 1.00 0.00 C ATOM 269 O CYS A 29 -17.998 0.404 -1.616 1.00 0.00 O ATOM 270 CB CYS A 29 -16.263 -1.950 -0.766 1.00 0.00 C ATOM 271 SG CYS A 29 -16.133 -3.233 0.521 1.00 0.00 S ATOM 0 H CYS A 29 -16.398 -1.917 -3.248 1.00 0.00 H new ATOM 0 HA CYS A 29 -18.178 -2.821 -1.196 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -15.448 -2.080 -1.478 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -16.129 -0.972 -0.304 1.00 0.00 H new ATOM 276 N ASP A 30 -19.501 -0.858 -0.512 1.00 0.00 N ATOM 277 CA ASP A 30 -20.351 0.269 -0.154 1.00 0.00 C ATOM 278 C ASP A 30 -19.580 1.301 0.665 1.00 0.00 C ATOM 279 O ASP A 30 -19.861 2.497 0.599 1.00 0.00 O ATOM 280 CB ASP A 30 -21.573 -0.217 0.632 1.00 0.00 C ATOM 281 CG ASP A 30 -22.843 -0.174 -0.192 1.00 0.00 C ATOM 282 OD1 ASP A 30 -22.808 -0.618 -1.359 1.00 0.00 O ATOM 283 OD2 ASP A 30 -23.875 0.301 0.328 1.00 0.00 O ATOM 0 H ASP A 30 -19.835 -1.761 -0.176 1.00 0.00 H new ATOM 0 HA ASP A 30 -20.685 0.745 -1.076 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -21.399 -1.237 0.974 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -21.699 0.401 1.521 1.00 0.00 H new ATOM 288 N VAL A 31 -18.607 0.830 1.439 1.00 0.00 N ATOM 289 CA VAL A 31 -17.799 1.714 2.269 1.00 0.00 C ATOM 290 C VAL A 31 -16.927 2.625 1.413 1.00 0.00 C ATOM 291 O VAL A 31 -16.794 3.817 1.688 1.00 0.00 O ATOM 292 CB VAL A 31 -16.901 0.919 3.237 1.00 0.00 C ATOM 293 CG1 VAL A 31 -16.177 1.854 4.194 1.00 0.00 C ATOM 294 CG2 VAL A 31 -17.720 -0.108 4.006 1.00 0.00 C ATOM 0 H VAL A 31 -18.360 -0.157 1.508 1.00 0.00 H new ATOM 0 HA VAL A 31 -18.493 2.321 2.851 1.00 0.00 H new ATOM 0 HB VAL A 31 -16.152 0.389 2.649 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -15.549 1.271 4.868 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -15.555 2.546 3.626 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -16.907 2.417 4.775 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -17.068 -0.659 4.684 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -18.495 0.400 4.580 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -18.184 -0.802 3.305 1.00 0.00 H new ATOM 304 N ALA A 32 -16.333 2.057 0.374 1.00 0.00 N ATOM 305 CA ALA A 32 -15.476 2.820 -0.523 1.00 0.00 C ATOM 306 C ALA A 32 -16.275 3.877 -1.278 1.00 0.00 C ATOM 307 O ALA A 32 -15.786 4.979 -1.527 1.00 0.00 O ATOM 308 CB ALA A 32 -14.770 1.890 -1.499 1.00 0.00 C ATOM 0 H ALA A 32 -16.428 1.071 0.131 1.00 0.00 H new ATOM 0 HA ALA A 32 -14.725 3.332 0.080 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -14.133 2.475 -2.163 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -14.159 1.177 -0.945 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -15.511 1.351 -2.089 1.00 0.00 H new ATOM 314 N SER A 33 -17.503 3.531 -1.644 1.00 0.00 N ATOM 315 CA SER A 33 -18.371 4.445 -2.378 1.00 0.00 C ATOM 316 C SER A 33 -18.796 5.626 -1.511 1.00 0.00 C ATOM 317 O SER A 33 -18.938 6.746 -2.003 1.00 0.00 O ATOM 318 CB SER A 33 -19.607 3.703 -2.889 1.00 0.00 C ATOM 319 OG SER A 33 -20.434 4.559 -3.658 1.00 0.00 O ATOM 0 H SER A 33 -17.921 2.622 -1.444 1.00 0.00 H new ATOM 0 HA SER A 33 -17.806 4.833 -3.226 1.00 0.00 H new ATOM 0 HB2 SER A 33 -19.299 2.850 -3.494 1.00 0.00 H new ATOM 0 HB3 SER A 33 -20.172 3.308 -2.045 1.00 0.00 H new ATOM 0 HG SER A 33 -21.216 4.061 -3.974 1.00 0.00 H new ATOM 325 N LYS A 34 -19.006 5.373 -0.224 1.00 0.00 N ATOM 326 CA LYS A 34 -19.425 6.424 0.697 1.00 0.00 C ATOM 327 C LYS A 34 -18.295 7.421 0.944 1.00 0.00 C ATOM 328 O LYS A 34 -18.541 8.610 1.148 1.00 0.00 O ATOM 329 CB LYS A 34 -19.908 5.823 2.022 1.00 0.00 C ATOM 330 CG LYS A 34 -18.804 5.202 2.863 1.00 0.00 C ATOM 331 CD LYS A 34 -19.100 5.323 4.349 1.00 0.00 C ATOM 332 CE LYS A 34 -18.464 4.187 5.136 1.00 0.00 C ATOM 333 NZ LYS A 34 -18.143 4.591 6.533 1.00 0.00 N ATOM 0 H LYS A 34 -18.894 4.454 0.204 1.00 0.00 H new ATOM 0 HA LYS A 34 -20.255 6.960 0.237 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -20.398 6.603 2.605 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -20.660 5.063 1.811 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -18.691 4.151 2.598 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -17.856 5.691 2.639 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -18.727 6.278 4.719 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -20.178 5.319 4.508 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -19.141 3.333 5.152 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -17.553 3.863 4.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -17.711 3.789 7.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -17.477 5.390 6.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -19.016 4.876 7.021 1.00 0.00 H new ATOM 347 N ILE A 35 -17.058 6.936 0.923 1.00 0.00 N ATOM 348 CA ILE A 35 -15.900 7.796 1.144 1.00 0.00 C ATOM 349 C ILE A 35 -15.674 8.724 -0.044 1.00 0.00 C ATOM 350 O ILE A 35 -15.286 9.881 0.123 1.00 0.00 O ATOM 351 CB ILE A 35 -14.622 6.968 1.395 1.00 0.00 C ATOM 352 CG1 ILE A 35 -14.831 6.014 2.572 1.00 0.00 C ATOM 353 CG2 ILE A 35 -13.435 7.884 1.656 1.00 0.00 C ATOM 354 CD1 ILE A 35 -13.880 4.837 2.571 1.00 0.00 C ATOM 0 H ILE A 35 -16.831 5.956 0.756 1.00 0.00 H new ATOM 0 HA ILE A 35 -16.111 8.393 2.031 1.00 0.00 H new ATOM 0 HB ILE A 35 -14.410 6.378 0.503 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -14.711 6.567 3.504 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -15.856 5.643 2.551 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -12.543 7.283 1.831 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -13.275 8.528 0.791 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -13.636 8.499 2.533 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -14.085 4.203 3.433 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -14.016 4.260 1.656 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -12.853 5.199 2.623 1.00 0.00 H new ATOM 366 N ILE A 36 -15.920 8.209 -1.242 1.00 0.00 N ATOM 367 CA ILE A 36 -15.744 8.991 -2.462 1.00 0.00 C ATOM 368 C ILE A 36 -16.876 10.000 -2.637 1.00 0.00 C ATOM 369 O ILE A 36 -16.699 11.042 -3.269 1.00 0.00 O ATOM 370 CB ILE A 36 -15.683 8.080 -3.705 1.00 0.00 C ATOM 371 CG1 ILE A 36 -14.602 7.010 -3.521 1.00 0.00 C ATOM 372 CG2 ILE A 36 -15.425 8.903 -4.960 1.00 0.00 C ATOM 373 CD1 ILE A 36 -13.189 7.531 -3.684 1.00 0.00 C ATOM 0 H ILE A 36 -16.242 7.254 -1.396 1.00 0.00 H new ATOM 0 HA ILE A 36 -14.799 9.526 -2.365 1.00 0.00 H new ATOM 0 HB ILE A 36 -16.645 7.582 -3.822 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -14.705 6.571 -2.529 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -14.769 6.210 -4.243 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -15.385 8.243 -5.826 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -16.229 9.627 -5.092 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -14.476 9.429 -4.861 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -12.481 6.715 -3.539 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -13.067 7.944 -4.685 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -13.001 8.310 -2.945 1.00 0.00 H new ATOM 385 N SER A 37 -18.041 9.684 -2.079 1.00 0.00 N ATOM 386 CA SER A 37 -19.201 10.564 -2.180 1.00 0.00 C ATOM 387 C SER A 37 -19.435 11.335 -0.880 1.00 0.00 C ATOM 388 O SER A 37 -20.373 12.126 -0.783 1.00 0.00 O ATOM 389 CB SER A 37 -20.449 9.756 -2.538 1.00 0.00 C ATOM 390 OG SER A 37 -21.279 10.470 -3.436 1.00 0.00 O ATOM 0 H SER A 37 -18.207 8.826 -1.553 1.00 0.00 H new ATOM 0 HA SER A 37 -19.000 11.287 -2.970 1.00 0.00 H new ATOM 0 HB2 SER A 37 -20.155 8.807 -2.986 1.00 0.00 H new ATOM 0 HB3 SER A 37 -21.006 9.521 -1.631 1.00 0.00 H new ATOM 0 HG SER A 37 -22.069 9.931 -3.650 1.00 0.00 H new ATOM 396 N LYS A 38 -18.585 11.101 0.119 1.00 0.00 N ATOM 397 CA LYS A 38 -18.717 11.781 1.403 1.00 0.00 C ATOM 398 C LYS A 38 -18.104 13.177 1.345 1.00 0.00 C ATOM 399 O LYS A 38 -18.813 14.170 1.182 1.00 0.00 O ATOM 400 CB LYS A 38 -18.057 10.957 2.513 1.00 0.00 C ATOM 401 CG LYS A 38 -19.044 10.152 3.343 1.00 0.00 C ATOM 402 CD LYS A 38 -19.412 10.876 4.628 1.00 0.00 C ATOM 403 CE LYS A 38 -20.076 12.214 4.342 1.00 0.00 C ATOM 404 NZ LYS A 38 -21.028 12.603 5.420 1.00 0.00 N ATOM 0 H LYS A 38 -17.802 10.449 0.063 1.00 0.00 H new ATOM 0 HA LYS A 38 -19.779 11.883 1.626 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -17.331 10.277 2.067 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -17.503 11.627 3.171 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -19.945 9.965 2.759 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -18.612 9.180 3.582 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -20.085 10.253 5.218 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -18.516 11.034 5.228 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -19.311 12.984 4.238 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -20.606 12.160 3.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -21.460 13.520 5.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -21.772 11.881 5.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -20.518 12.679 6.323 1.00 0.00 H new ATOM 418 N LYS A 39 -16.783 13.246 1.479 1.00 0.00 N ATOM 419 CA LYS A 39 -16.073 14.520 1.440 1.00 0.00 C ATOM 420 C LYS A 39 -14.581 14.326 1.705 1.00 0.00 C ATOM 421 O LYS A 39 -13.742 14.754 0.912 1.00 0.00 O ATOM 422 CB LYS A 39 -16.662 15.497 2.464 1.00 0.00 C ATOM 423 CG LYS A 39 -17.013 16.854 1.877 1.00 0.00 C ATOM 424 CD LYS A 39 -16.545 17.990 2.776 1.00 0.00 C ATOM 425 CE LYS A 39 -15.045 18.209 2.663 1.00 0.00 C ATOM 426 NZ LYS A 39 -14.316 17.666 3.843 1.00 0.00 N ATOM 0 H LYS A 39 -16.182 12.433 1.616 1.00 0.00 H new ATOM 0 HA LYS A 39 -16.195 14.938 0.441 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -17.558 15.056 2.901 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -15.947 15.635 3.275 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -16.555 16.955 0.893 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -18.092 16.922 1.735 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -17.069 18.907 2.507 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -16.804 17.767 3.811 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -14.675 17.731 1.756 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -14.840 19.275 2.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -13.431 18.195 3.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -14.909 17.762 4.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -14.099 16.661 3.685 1.00 0.00 H new ATOM 440 N PRO A 40 -14.226 13.676 2.830 1.00 0.00 N ATOM 441 CA PRO A 40 -12.825 13.432 3.191 1.00 0.00 C ATOM 442 C PRO A 40 -12.025 12.821 2.045 1.00 0.00 C ATOM 443 O PRO A 40 -12.191 11.646 1.716 1.00 0.00 O ATOM 444 CB PRO A 40 -12.929 12.448 4.357 1.00 0.00 C ATOM 445 CG PRO A 40 -14.255 12.732 4.971 1.00 0.00 C ATOM 446 CD PRO A 40 -15.159 13.132 3.837 1.00 0.00 C ATOM 0 HA PRO A 40 -12.301 14.355 3.438 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -12.865 11.416 4.012 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -12.121 12.595 5.073 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -14.642 11.854 5.488 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -14.180 13.529 5.710 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -15.717 12.280 3.449 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -15.891 13.877 4.150 1.00 0.00 H new ATOM 454 N ARG A 41 -11.156 13.625 1.443 1.00 0.00 N ATOM 455 CA ARG A 41 -10.326 13.167 0.336 1.00 0.00 C ATOM 456 C ARG A 41 -9.023 13.959 0.268 1.00 0.00 C ATOM 457 O ARG A 41 -8.806 14.742 -0.657 1.00 0.00 O ATOM 458 CB ARG A 41 -11.086 13.296 -0.987 1.00 0.00 C ATOM 459 CG ARG A 41 -10.295 12.818 -2.193 1.00 0.00 C ATOM 460 CD ARG A 41 -11.177 12.681 -3.424 1.00 0.00 C ATOM 461 NE ARG A 41 -10.528 13.207 -4.623 1.00 0.00 N ATOM 462 CZ ARG A 41 -10.896 12.891 -5.864 1.00 0.00 C ATOM 463 NH1 ARG A 41 -11.904 12.055 -6.073 1.00 0.00 N ATOM 464 NH2 ARG A 41 -10.250 13.414 -6.899 1.00 0.00 N ATOM 0 H ARG A 41 -11.008 14.600 1.704 1.00 0.00 H new ATOM 0 HA ARG A 41 -10.083 12.118 0.506 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -12.012 12.725 -0.921 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -11.364 14.339 -1.136 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -9.487 13.520 -2.400 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.832 11.857 -1.968 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -11.425 11.631 -3.577 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -12.116 13.210 -3.258 1.00 0.00 H new ATOM 0 HE ARG A 41 -9.748 13.853 -4.503 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -12.403 11.650 -5.281 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -12.180 11.817 -7.026 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.473 14.057 -6.744 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.530 13.173 -7.850 1.00 0.00 H new ATOM 478 N THR A 42 -8.160 13.751 1.257 1.00 0.00 N ATOM 479 CA THR A 42 -6.879 14.445 1.314 1.00 0.00 C ATOM 480 C THR A 42 -5.727 13.484 1.037 1.00 0.00 C ATOM 481 O THR A 42 -5.944 12.309 0.737 1.00 0.00 O ATOM 482 CB THR A 42 -6.693 15.102 2.683 1.00 0.00 C ATOM 483 OG1 THR A 42 -7.197 14.269 3.711 1.00 0.00 O ATOM 484 CG2 THR A 42 -7.382 16.445 2.799 1.00 0.00 C ATOM 0 H THR A 42 -8.325 13.107 2.030 1.00 0.00 H new ATOM 0 HA THR A 42 -6.877 15.217 0.545 1.00 0.00 H new ATOM 0 HB THR A 42 -5.619 15.253 2.789 1.00 0.00 H new ATOM 0 HG1 THR A 42 -7.067 14.706 4.579 1.00 0.00 H new ATOM 0 HG21 THR A 42 -7.211 16.857 3.794 1.00 0.00 H new ATOM 0 HG22 THR A 42 -6.979 17.127 2.050 1.00 0.00 H new ATOM 0 HG23 THR A 42 -8.453 16.320 2.637 1.00 0.00 H new ATOM 492 N ALA A 43 -4.500 13.990 1.137 1.00 0.00 N ATOM 493 CA ALA A 43 -3.314 13.175 0.898 1.00 0.00 C ATOM 494 C ALA A 43 -3.316 11.930 1.778 1.00 0.00 C ATOM 495 O ALA A 43 -2.828 10.874 1.379 1.00 0.00 O ATOM 496 CB ALA A 43 -2.054 13.994 1.138 1.00 0.00 C ATOM 0 H ALA A 43 -4.302 14.960 1.382 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.330 12.851 -0.142 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.177 13.373 0.956 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.041 14.848 0.461 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.041 14.348 2.169 1.00 0.00 H new ATOM 502 N GLN A 44 -3.872 12.063 2.978 1.00 0.00 N ATOM 503 CA GLN A 44 -3.941 10.949 3.915 1.00 0.00 C ATOM 504 C GLN A 44 -4.821 9.834 3.361 1.00 0.00 C ATOM 505 O GLN A 44 -4.594 8.655 3.633 1.00 0.00 O ATOM 506 CB GLN A 44 -4.483 11.423 5.265 1.00 0.00 C ATOM 507 CG GLN A 44 -3.903 10.672 6.452 1.00 0.00 C ATOM 508 CD GLN A 44 -4.708 10.876 7.720 1.00 0.00 C ATOM 509 OE1 GLN A 44 -4.290 11.599 8.624 1.00 0.00 O ATOM 510 NE2 GLN A 44 -5.869 10.238 7.793 1.00 0.00 N ATOM 0 H GLN A 44 -4.281 12.931 3.324 1.00 0.00 H new ATOM 0 HA GLN A 44 -2.933 10.558 4.056 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -4.270 12.486 5.379 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -5.567 11.312 5.271 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -3.862 9.608 6.219 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -2.878 11.001 6.620 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -6.177 9.649 7.019 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -6.454 10.337 8.623 1.00 0.00 H new ATOM 519 N ASP A 45 -5.826 10.215 2.581 1.00 0.00 N ATOM 520 CA ASP A 45 -6.741 9.250 1.984 1.00 0.00 C ATOM 521 C ASP A 45 -6.037 8.436 0.901 1.00 0.00 C ATOM 522 O ASP A 45 -6.302 7.247 0.732 1.00 0.00 O ATOM 523 CB ASP A 45 -7.959 9.965 1.396 1.00 0.00 C ATOM 524 CG ASP A 45 -9.222 9.709 2.197 1.00 0.00 C ATOM 525 OD1 ASP A 45 -9.106 9.312 3.376 1.00 0.00 O ATOM 526 OD2 ASP A 45 -10.324 9.904 1.645 1.00 0.00 O ATOM 0 H ASP A 45 -6.028 11.187 2.347 1.00 0.00 H new ATOM 0 HA ASP A 45 -7.076 8.568 2.766 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -7.766 11.037 1.360 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -8.110 9.634 0.368 1.00 0.00 H new ATOM 531 N GLU A 46 -5.139 9.090 0.171 1.00 0.00 N ATOM 532 CA GLU A 46 -4.396 8.432 -0.897 1.00 0.00 C ATOM 533 C GLU A 46 -3.469 7.362 -0.336 1.00 0.00 C ATOM 534 O GLU A 46 -3.365 6.265 -0.884 1.00 0.00 O ATOM 535 CB GLU A 46 -3.588 9.457 -1.695 1.00 0.00 C ATOM 536 CG GLU A 46 -3.343 9.049 -3.139 1.00 0.00 C ATOM 537 CD GLU A 46 -3.337 10.233 -4.086 1.00 0.00 C ATOM 538 OE1 GLU A 46 -2.489 11.131 -3.908 1.00 0.00 O ATOM 539 OE2 GLU A 46 -4.181 10.261 -5.006 1.00 0.00 O ATOM 0 H GLU A 46 -4.908 10.075 0.300 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.115 7.952 -1.561 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.113 10.412 -1.680 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.628 9.613 -1.203 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -2.388 8.528 -3.209 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -4.114 8.344 -3.449 1.00 0.00 H new ATOM 546 N LYS A 47 -2.801 7.682 0.764 1.00 0.00 N ATOM 547 CA LYS A 47 -1.889 6.741 1.401 1.00 0.00 C ATOM 548 C LYS A 47 -2.665 5.572 1.995 1.00 0.00 C ATOM 549 O LYS A 47 -2.215 4.428 1.956 1.00 0.00 O ATOM 550 CB LYS A 47 -1.069 7.438 2.487 1.00 0.00 C ATOM 551 CG LYS A 47 -1.916 8.063 3.583 1.00 0.00 C ATOM 552 CD LYS A 47 -1.065 8.505 4.761 1.00 0.00 C ATOM 553 CE LYS A 47 -0.255 9.747 4.429 1.00 0.00 C ATOM 554 NZ LYS A 47 0.738 10.065 5.493 1.00 0.00 N ATOM 0 H LYS A 47 -2.873 8.585 1.233 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.205 6.359 0.644 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.386 6.716 2.935 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.456 8.213 2.027 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.457 8.920 3.182 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.663 7.345 3.921 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.706 8.706 5.619 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.392 7.697 5.049 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.263 9.600 3.481 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.928 10.594 4.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.270 10.919 5.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.242 10.231 6.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.396 9.268 5.603 1.00 0.00 H new ATOM 568 N PHE A 48 -3.835 5.875 2.549 1.00 0.00 N ATOM 569 CA PHE A 48 -4.681 4.856 3.156 1.00 0.00 C ATOM 570 C PHE A 48 -5.232 3.903 2.103 1.00 0.00 C ATOM 571 O PHE A 48 -5.286 2.692 2.316 1.00 0.00 O ATOM 572 CB PHE A 48 -5.831 5.511 3.926 1.00 0.00 C ATOM 573 CG PHE A 48 -5.950 5.039 5.348 1.00 0.00 C ATOM 574 CD1 PHE A 48 -5.983 3.685 5.641 1.00 0.00 C ATOM 575 CD2 PHE A 48 -6.026 5.949 6.389 1.00 0.00 C ATOM 576 CE1 PHE A 48 -6.091 3.248 6.948 1.00 0.00 C ATOM 577 CE2 PHE A 48 -6.135 5.519 7.698 1.00 0.00 C ATOM 578 CZ PHE A 48 -6.168 4.166 7.978 1.00 0.00 C ATOM 0 H PHE A 48 -4.218 6.819 2.590 1.00 0.00 H new ATOM 0 HA PHE A 48 -4.070 4.280 3.851 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.691 6.592 3.921 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -6.767 5.309 3.405 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -5.924 2.963 4.840 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -6.000 7.007 6.175 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -6.115 2.190 7.164 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -6.194 6.239 8.501 1.00 0.00 H new ATOM 0 HZ PHE A 48 -6.254 3.827 9.000 1.00 0.00 H new ATOM 588 N LEU A 49 -5.640 4.452 0.965 1.00 0.00 N ATOM 589 CA LEU A 49 -6.183 3.638 -0.116 1.00 0.00 C ATOM 590 C LEU A 49 -5.084 2.798 -0.755 1.00 0.00 C ATOM 591 O LEU A 49 -5.300 1.640 -1.113 1.00 0.00 O ATOM 592 CB LEU A 49 -6.870 4.525 -1.167 1.00 0.00 C ATOM 593 CG LEU A 49 -5.970 5.031 -2.299 1.00 0.00 C ATOM 594 CD1 LEU A 49 -5.873 3.993 -3.406 1.00 0.00 C ATOM 595 CD2 LEU A 49 -6.494 6.348 -2.846 1.00 0.00 C ATOM 0 H LEU A 49 -5.606 5.452 0.767 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.930 2.963 0.302 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.695 3.964 -1.606 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.305 5.387 -0.660 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.971 5.199 -1.897 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.230 4.369 -4.202 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.452 3.071 -3.004 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.867 3.794 -3.806 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.843 6.693 -3.649 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.503 6.206 -3.233 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.512 7.091 -2.049 1.00 0.00 H new ATOM 607 N ARG A 50 -3.902 3.388 -0.886 1.00 0.00 N ATOM 608 CA ARG A 50 -2.761 2.695 -1.473 1.00 0.00 C ATOM 609 C ARG A 50 -2.301 1.556 -0.570 1.00 0.00 C ATOM 610 O ARG A 50 -1.901 0.494 -1.046 1.00 0.00 O ATOM 611 CB ARG A 50 -1.608 3.672 -1.710 1.00 0.00 C ATOM 612 CG ARG A 50 -1.766 4.503 -2.973 1.00 0.00 C ATOM 613 CD ARG A 50 -0.419 4.834 -3.594 1.00 0.00 C ATOM 614 NE ARG A 50 -0.045 3.877 -4.633 1.00 0.00 N ATOM 615 CZ ARG A 50 0.881 4.113 -5.559 1.00 0.00 C ATOM 616 NH1 ARG A 50 1.530 5.271 -5.579 1.00 0.00 N ATOM 617 NH2 ARG A 50 1.159 3.189 -6.469 1.00 0.00 N ATOM 0 H ARG A 50 -3.708 4.346 -0.593 1.00 0.00 H new ATOM 0 HA ARG A 50 -3.072 2.277 -2.430 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -1.527 4.340 -0.853 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.674 3.112 -1.767 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.376 3.959 -3.694 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.296 5.426 -2.739 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.453 5.837 -4.020 1.00 0.00 H new ATOM 0 HD3 ARG A 50 0.346 4.843 -2.817 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.522 2.975 -4.649 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.320 5.986 -4.882 1.00 0.00 H new ATOM 0 HH12 ARG A 50 2.239 5.446 -6.291 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.663 2.298 -6.459 1.00 0.00 H new ATOM 0 HH22 ARG A 50 1.869 3.370 -7.179 1.00 0.00 H new ATOM 631 N GLU A 51 -2.366 1.785 0.738 1.00 0.00 N ATOM 632 CA GLU A 51 -1.960 0.780 1.713 1.00 0.00 C ATOM 633 C GLU A 51 -2.987 -0.345 1.789 1.00 0.00 C ATOM 634 O GLU A 51 -2.652 -1.483 2.117 1.00 0.00 O ATOM 635 CB GLU A 51 -1.783 1.419 3.091 1.00 0.00 C ATOM 636 CG GLU A 51 -0.636 0.827 3.895 1.00 0.00 C ATOM 637 CD GLU A 51 -0.445 1.515 5.232 1.00 0.00 C ATOM 638 OE1 GLU A 51 -0.736 2.728 5.322 1.00 0.00 O ATOM 639 OE2 GLU A 51 -0.004 0.844 6.188 1.00 0.00 O ATOM 0 H GLU A 51 -2.696 2.659 1.147 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.007 0.359 1.392 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.614 2.489 2.967 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -2.708 1.306 3.656 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.823 -0.234 4.060 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.285 0.903 3.317 1.00 0.00 H new ATOM 646 N SER A 52 -4.240 -0.018 1.486 1.00 0.00 N ATOM 647 CA SER A 52 -5.315 -1.001 1.519 1.00 0.00 C ATOM 648 C SER A 52 -5.579 -1.564 0.127 1.00 0.00 C ATOM 649 O SER A 52 -6.725 -1.809 -0.247 1.00 0.00 O ATOM 650 CB SER A 52 -6.593 -0.369 2.078 1.00 0.00 C ATOM 651 OG SER A 52 -6.299 0.527 3.136 1.00 0.00 O ATOM 0 H SER A 52 -4.535 0.920 1.215 1.00 0.00 H new ATOM 0 HA SER A 52 -5.007 -1.820 2.170 1.00 0.00 H new ATOM 0 HB2 SER A 52 -7.118 0.162 1.283 1.00 0.00 H new ATOM 0 HB3 SER A 52 -7.263 -1.151 2.435 1.00 0.00 H new ATOM 0 HG SER A 52 -6.295 1.446 2.795 1.00 0.00 H new ATOM 657 N ALA A 53 -4.510 -1.769 -0.635 1.00 0.00 N ATOM 658 CA ALA A 53 -4.626 -2.307 -1.986 1.00 0.00 C ATOM 659 C ALA A 53 -3.789 -3.574 -2.142 1.00 0.00 C ATOM 660 O ALA A 53 -2.607 -3.591 -1.799 1.00 0.00 O ATOM 661 CB ALA A 53 -4.202 -1.263 -3.007 1.00 0.00 C ATOM 0 H ALA A 53 -3.554 -1.571 -0.340 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.670 -2.567 -2.162 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.293 -1.678 -4.011 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.842 -0.385 -2.917 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.166 -0.977 -2.826 1.00 0.00 H new ATOM 667 N CYS A 54 -4.408 -4.629 -2.658 1.00 0.00 N ATOM 668 CA CYS A 54 -3.717 -5.899 -2.855 1.00 0.00 C ATOM 669 C CYS A 54 -2.992 -5.924 -4.196 1.00 0.00 C ATOM 670 O CYS A 54 -3.465 -6.528 -5.159 1.00 0.00 O ATOM 671 CB CYS A 54 -4.707 -7.062 -2.775 1.00 0.00 C ATOM 672 SG CYS A 54 -6.090 -6.944 -3.955 1.00 0.00 S ATOM 0 H CYS A 54 -5.386 -4.631 -2.948 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.977 -6.006 -2.062 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -4.171 -7.994 -2.952 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -5.110 -7.113 -1.763 1.00 0.00 H new ATOM 677 N GLY A 55 -1.839 -5.266 -4.252 1.00 0.00 N ATOM 678 CA GLY A 55 -1.067 -5.227 -5.480 1.00 0.00 C ATOM 679 C GLY A 55 -1.194 -3.903 -6.203 1.00 0.00 C ATOM 680 O GLY A 55 -1.894 -3.002 -5.744 1.00 0.00 O ATOM 0 H GLY A 55 -1.426 -4.759 -3.469 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.018 -5.413 -5.252 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -1.397 -6.030 -6.139 1.00 0.00 H new ATOM 684 N PHE A 56 -0.513 -3.784 -7.341 1.00 0.00 N ATOM 685 CA PHE A 56 -0.554 -2.557 -8.127 1.00 0.00 C ATOM 686 C PHE A 56 -0.082 -2.807 -9.557 1.00 0.00 C ATOM 687 O PHE A 56 1.099 -2.654 -9.866 1.00 0.00 O ATOM 688 CB PHE A 56 0.317 -1.481 -7.475 1.00 0.00 C ATOM 689 CG PHE A 56 -0.333 -0.821 -6.294 1.00 0.00 C ATOM 690 CD1 PHE A 56 -1.490 -0.075 -6.449 1.00 0.00 C ATOM 691 CD2 PHE A 56 0.216 -0.944 -5.026 1.00 0.00 C ATOM 692 CE1 PHE A 56 -2.090 0.534 -5.363 1.00 0.00 C ATOM 693 CE2 PHE A 56 -0.379 -0.337 -3.937 1.00 0.00 C ATOM 694 CZ PHE A 56 -1.533 0.402 -4.106 1.00 0.00 C ATOM 0 H PHE A 56 0.071 -4.521 -7.737 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.588 -2.212 -8.159 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.259 -1.929 -7.158 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.560 -0.721 -8.218 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.928 0.032 -7.430 1.00 0.00 H new ATOM 0 HD2 PHE A 56 1.119 -1.521 -4.889 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.992 1.112 -5.497 1.00 0.00 H new ATOM 0 HE2 PHE A 56 0.058 -0.440 -2.955 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.000 0.877 -3.256 1.00 0.00 H new ATOM 704 N ASP A 57 -1.014 -3.186 -10.425 1.00 0.00 N ATOM 705 CA ASP A 57 -0.690 -3.449 -11.823 1.00 0.00 C ATOM 706 C ASP A 57 -0.170 -2.187 -12.501 1.00 0.00 C ATOM 707 O ASP A 57 0.636 -2.256 -13.430 1.00 0.00 O ATOM 708 CB ASP A 57 -1.919 -3.973 -12.566 1.00 0.00 C ATOM 709 CG ASP A 57 -1.563 -5.012 -13.612 1.00 0.00 C ATOM 710 OD1 ASP A 57 -0.655 -4.749 -14.427 1.00 0.00 O ATOM 711 OD2 ASP A 57 -2.195 -6.091 -13.615 1.00 0.00 O ATOM 0 H ASP A 57 -1.997 -3.318 -10.186 1.00 0.00 H new ATOM 0 HA ASP A 57 0.091 -4.208 -11.854 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.616 -4.407 -11.849 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.433 -3.140 -13.046 1.00 0.00 H new ATOM 716 N GLY A 58 -0.634 -1.034 -12.030 1.00 0.00 N ATOM 717 CA GLY A 58 -0.205 0.230 -12.601 1.00 0.00 C ATOM 718 C GLY A 58 -1.366 1.068 -13.098 1.00 0.00 C ATOM 719 O GLY A 58 -1.389 2.284 -12.906 1.00 0.00 O ATOM 0 H GLY A 58 -1.300 -0.952 -11.262 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.350 0.793 -11.851 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.480 0.038 -13.427 1.00 0.00 H new ATOM 723 N GLN A 59 -2.331 0.418 -13.744 1.00 0.00 N ATOM 724 CA GLN A 59 -3.497 1.115 -14.276 1.00 0.00 C ATOM 725 C GLN A 59 -4.793 0.606 -13.644 1.00 0.00 C ATOM 726 O GLN A 59 -5.821 1.279 -13.699 1.00 0.00 O ATOM 727 CB GLN A 59 -3.560 0.947 -15.797 1.00 0.00 C ATOM 728 CG GLN A 59 -3.325 2.239 -16.562 1.00 0.00 C ATOM 729 CD GLN A 59 -4.607 3.011 -16.809 1.00 0.00 C ATOM 730 OE1 GLN A 59 -5.478 3.086 -15.942 1.00 0.00 O ATOM 731 NE2 GLN A 59 -4.728 3.590 -17.999 1.00 0.00 N ATOM 0 H GLN A 59 -2.328 -0.588 -13.911 1.00 0.00 H new ATOM 0 HA GLN A 59 -3.394 2.172 -14.029 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -2.816 0.212 -16.104 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -4.536 0.545 -16.070 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -2.629 2.866 -16.004 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -2.853 2.011 -17.517 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -3.981 3.502 -18.688 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -5.568 4.123 -18.224 1.00 0.00 H new ATOM 740 N THR A 60 -4.744 -0.585 -13.051 1.00 0.00 N ATOM 741 CA THR A 60 -5.922 -1.171 -12.422 1.00 0.00 C ATOM 742 C THR A 60 -5.967 -0.862 -10.924 1.00 0.00 C ATOM 743 O THR A 60 -5.193 -1.416 -10.144 1.00 0.00 O ATOM 744 CB THR A 60 -5.940 -2.687 -12.644 1.00 0.00 C ATOM 745 OG1 THR A 60 -7.174 -3.240 -12.225 1.00 0.00 O ATOM 746 CG2 THR A 60 -4.838 -3.419 -11.910 1.00 0.00 C ATOM 0 H THR A 60 -3.904 -1.160 -12.994 1.00 0.00 H new ATOM 0 HA THR A 60 -6.803 -0.728 -12.885 1.00 0.00 H new ATOM 0 HB THR A 60 -5.788 -2.820 -13.715 1.00 0.00 H new ATOM 0 HG1 THR A 60 -7.167 -4.208 -12.376 1.00 0.00 H new ATOM 0 HG21 THR A 60 -4.913 -4.487 -12.113 1.00 0.00 H new ATOM 0 HG22 THR A 60 -3.869 -3.052 -12.249 1.00 0.00 H new ATOM 0 HG23 THR A 60 -4.937 -3.246 -10.838 1.00 0.00 H new ATOM 754 N PRO A 61 -6.882 0.030 -10.496 1.00 0.00 N ATOM 755 CA PRO A 61 -7.023 0.400 -9.088 1.00 0.00 C ATOM 756 C PRO A 61 -7.850 -0.615 -8.307 1.00 0.00 C ATOM 757 O PRO A 61 -8.959 -0.964 -8.709 1.00 0.00 O ATOM 758 CB PRO A 61 -7.751 1.739 -9.163 1.00 0.00 C ATOM 759 CG PRO A 61 -8.603 1.629 -10.381 1.00 0.00 C ATOM 760 CD PRO A 61 -7.854 0.744 -11.349 1.00 0.00 C ATOM 0 HA PRO A 61 -6.065 0.443 -8.570 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -8.353 1.915 -8.271 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -7.049 2.569 -9.242 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -9.575 1.201 -10.137 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -8.787 2.611 -10.816 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -8.524 0.051 -11.858 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -7.354 1.329 -12.121 1.00 0.00 H new ATOM 768 N LYS A 62 -7.307 -1.090 -7.191 1.00 0.00 N ATOM 769 CA LYS A 62 -8.004 -2.068 -6.362 1.00 0.00 C ATOM 770 C LYS A 62 -7.854 -1.743 -4.879 1.00 0.00 C ATOM 771 O LYS A 62 -6.899 -1.083 -4.470 1.00 0.00 O ATOM 772 CB LYS A 62 -7.473 -3.475 -6.644 1.00 0.00 C ATOM 773 CG LYS A 62 -8.165 -4.164 -7.809 1.00 0.00 C ATOM 774 CD LYS A 62 -8.417 -5.635 -7.519 1.00 0.00 C ATOM 775 CE LYS A 62 -9.769 -6.085 -8.052 1.00 0.00 C ATOM 776 NZ LYS A 62 -9.974 -7.549 -7.880 1.00 0.00 N ATOM 0 H LYS A 62 -6.390 -0.815 -6.840 1.00 0.00 H new ATOM 0 HA LYS A 62 -9.064 -2.026 -6.614 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -6.404 -3.416 -6.850 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -7.592 -4.085 -5.749 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -9.112 -3.666 -8.017 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -7.552 -4.069 -8.705 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -7.628 -6.236 -7.971 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -8.373 -5.808 -6.444 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -10.561 -5.544 -7.535 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -9.846 -5.829 -9.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -10.641 -7.893 -8.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -9.065 -8.042 -7.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -10.359 -7.737 -6.932 1.00 0.00 H new ATOM 790 N VAL A 63 -8.806 -2.216 -4.080 1.00 0.00 N ATOM 791 CA VAL A 63 -8.788 -1.982 -2.641 1.00 0.00 C ATOM 792 C VAL A 63 -9.129 -3.259 -1.878 1.00 0.00 C ATOM 793 O VAL A 63 -9.723 -4.184 -2.432 1.00 0.00 O ATOM 794 CB VAL A 63 -9.779 -0.875 -2.238 1.00 0.00 C ATOM 795 CG1 VAL A 63 -9.610 -0.511 -0.772 1.00 0.00 C ATOM 796 CG2 VAL A 63 -9.599 0.349 -3.124 1.00 0.00 C ATOM 0 H VAL A 63 -9.601 -2.765 -4.407 1.00 0.00 H new ATOM 0 HA VAL A 63 -7.778 -1.663 -2.382 1.00 0.00 H new ATOM 0 HB VAL A 63 -10.792 -1.252 -2.378 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -10.320 0.273 -0.508 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.794 -1.391 -0.155 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -8.594 -0.154 -0.600 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -10.307 1.122 -2.825 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -8.583 0.728 -3.019 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -9.778 0.075 -4.164 1.00 0.00 H new ATOM 806 N CYS A 64 -8.749 -3.304 -0.605 1.00 0.00 N ATOM 807 CA CYS A 64 -9.011 -4.468 0.232 1.00 0.00 C ATOM 808 C CYS A 64 -10.131 -4.183 1.230 1.00 0.00 C ATOM 809 O CYS A 64 -10.050 -3.239 2.014 1.00 0.00 O ATOM 810 CB CYS A 64 -7.741 -4.878 0.980 1.00 0.00 C ATOM 811 SG CYS A 64 -7.821 -6.535 1.732 1.00 0.00 S ATOM 0 H CYS A 64 -8.258 -2.546 -0.131 1.00 0.00 H new ATOM 0 HA CYS A 64 -9.326 -5.286 -0.416 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -6.899 -4.845 0.289 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -7.541 -4.145 1.762 1.00 0.00 H new ATOM 816 N CYS A 65 -11.171 -5.011 1.198 1.00 0.00 N ATOM 817 CA CYS A 65 -12.303 -4.852 2.102 1.00 0.00 C ATOM 818 C CYS A 65 -12.402 -6.043 3.055 1.00 0.00 C ATOM 819 O CYS A 65 -12.318 -7.194 2.627 1.00 0.00 O ATOM 820 CB CYS A 65 -13.603 -4.706 1.307 1.00 0.00 C ATOM 821 SG CYS A 65 -14.255 -3.005 1.254 1.00 0.00 S ATOM 0 H CYS A 65 -11.252 -5.799 0.555 1.00 0.00 H new ATOM 0 HA CYS A 65 -12.147 -3.948 2.691 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -13.433 -5.051 0.287 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -14.358 -5.360 1.743 1.00 0.00 H new ATOM 826 N PRO A 66 -12.580 -5.787 4.363 1.00 0.00 N ATOM 827 CA PRO A 66 -12.686 -6.852 5.366 1.00 0.00 C ATOM 828 C PRO A 66 -14.004 -7.611 5.271 1.00 0.00 C ATOM 829 O PRO A 66 -14.822 -7.349 4.389 1.00 0.00 O ATOM 830 CB PRO A 66 -12.599 -6.097 6.695 1.00 0.00 C ATOM 831 CG PRO A 66 -13.107 -4.732 6.386 1.00 0.00 C ATOM 832 CD PRO A 66 -12.690 -4.445 4.969 1.00 0.00 C ATOM 0 HA PRO A 66 -11.913 -7.610 5.238 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -13.201 -6.579 7.465 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -11.575 -6.064 7.066 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -14.191 -4.686 6.491 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -12.689 -3.996 7.072 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -13.426 -3.830 4.451 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -11.742 -3.908 4.931 1.00 0.00 H new