USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 591 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 Single : A 2 SER OG : rot 177:sc= 1.23 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 4 MET CE :methyl -166:sc= -0.0249 (180deg=-0.277) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0396 USER MOD Single : A 8 LYS NZ :NH3+ -158:sc= 1.2 (180deg=1.1) USER MOD Single : A 10 LYS NZ :NH3+ 165:sc= 1.25 (180deg=1.15) USER MOD Single : A 11 TYR OH : rot -2:sc= 1.24 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 176:sc= 1.19 (180deg=1.05) USER MOD Single : A 17 GLN : amide:sc= -0.339 X(o=-0.34,f=0) USER MOD Single : A 21 SER OG : rot -87:sc= 1.21 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= -0.126 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -133:sc= 1.24 (180deg=1.03) USER MOD Single : A 34 HIS : no HE2:sc= -1.26 X(o=-1.3,f=-0.77) USER MOD Single : A 37 TYR OH : rot -150:sc= 1.03 USER MOD Single : A 43 LYS NZ :NH3+ 151:sc= -0.0142 (180deg=-1.05) USER MOD Single : A 46 MET CE :methyl -115:sc= 0 (180deg=-1.6!) USER MOD Single : A 48 MET CE :methyl 144:sc= -2.14! (180deg=-4.53!) USER MOD Single : A 50 SER OG : rot 180:sc= -0.696 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN :FLIP amide:sc= -0.17 F(o=-0.99,f=-0.17) USER MOD Single : A 61 MET CE :methyl 176:sc= -0.655 (180deg=-0.733) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN :FLIP amide:sc= -0.0492 F(o=-1.5!,f=-0.049) USER MOD Single : A 66 LYS NZ :NH3+ -147:sc= 1.15 (180deg=0.758) USER MOD Single : A 67 LYS NZ :NH3+ -163:sc= 1.28 (180deg=1.21) USER MOD Single : B 12 TYR OH : rot -119:sc= 1.84 USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 2 -17.630 3.736 -5.492 1.00 10.00 N ATOM 9 CA SER A 2 -16.894 4.409 -4.436 1.00 10.00 C ATOM 10 C SER A 2 -16.547 5.837 -4.841 1.00 10.00 C ATOM 11 O SER A 2 -15.985 6.072 -5.913 1.00 10.00 O ATOM 12 CB SER A 2 -15.617 3.638 -4.097 1.00 10.00 C ATOM 13 OG SER A 2 -14.930 4.238 -3.009 1.00 10.00 O ATOM 0 HA SER A 2 -17.531 4.444 -3.552 1.00 10.00 H new ATOM 0 HB2 SER A 2 -15.867 2.606 -3.849 1.00 10.00 H new ATOM 0 HB3 SER A 2 -14.965 3.607 -4.970 1.00 10.00 H new ATOM 0 HG SER A 2 -14.141 3.702 -2.785 1.00 10.00 H new ATOM 19 N HIS A 3 -16.885 6.784 -3.977 1.00 10.00 N ATOM 20 CA HIS A 3 -16.604 8.189 -4.231 1.00 10.00 C ATOM 21 C HIS A 3 -15.373 8.627 -3.451 1.00 10.00 C ATOM 22 O HIS A 3 -15.067 9.818 -3.354 1.00 10.00 O ATOM 23 CB HIS A 3 -17.808 9.056 -3.854 1.00 10.00 C ATOM 24 CG HIS A 3 -18.987 8.859 -4.754 1.00 10.00 C ATOM 25 ND1 HIS A 3 -18.951 9.230 -6.078 1.00 10.00 N ATOM 26 CD2 HIS A 3 -20.202 8.328 -4.476 1.00 10.00 C ATOM 27 CE1 HIS A 3 -20.138 8.919 -6.574 1.00 10.00 C ATOM 28 NE2 HIS A 3 -20.926 8.373 -5.639 1.00 10.00 N ATOM 0 H HIS A 3 -17.356 6.603 -3.091 1.00 10.00 H new ATOM 0 HA HIS A 3 -16.409 8.316 -5.296 1.00 10.00 H new ATOM 0 HB2 HIS A 3 -18.101 8.831 -2.829 1.00 10.00 H new ATOM 0 HB3 HIS A 3 -17.513 10.105 -3.878 1.00 10.00 H new ATOM 0 HD2 HIS A 3 -20.535 7.944 -3.523 1.00 10.00 H new ATOM 0 HE1 HIS A 3 -20.433 9.084 -7.600 1.00 10.00 H new ATOM 0 HE2 HIS A 3 -21.885 8.051 -5.768 1.00 10.00 H new ATOM 36 N MET A 4 -14.672 7.649 -2.890 1.00 10.00 N ATOM 37 CA MET A 4 -13.466 7.914 -2.120 1.00 10.00 C ATOM 38 C MET A 4 -12.242 7.854 -3.025 1.00 10.00 C ATOM 39 O MET A 4 -12.304 7.307 -4.129 1.00 10.00 O ATOM 40 CB MET A 4 -13.318 6.906 -0.976 1.00 10.00 C ATOM 41 CG MET A 4 -14.396 7.020 0.094 1.00 10.00 C ATOM 42 SD MET A 4 -14.441 8.639 0.890 1.00 10.00 S ATOM 43 CE MET A 4 -12.862 8.655 1.738 1.00 10.00 C ATOM 0 H MET A 4 -14.921 6.662 -2.955 1.00 10.00 H new ATOM 0 HA MET A 4 -13.547 8.913 -1.692 1.00 10.00 H new ATOM 0 HB2 MET A 4 -13.336 5.898 -1.389 1.00 10.00 H new ATOM 0 HB3 MET A 4 -12.342 7.042 -0.510 1.00 10.00 H new ATOM 0 HG2 MET A 4 -15.368 6.817 -0.356 1.00 10.00 H new ATOM 0 HG3 MET A 4 -14.229 6.254 0.852 1.00 10.00 H new ATOM 0 HE1 MET A 4 -12.848 9.467 2.465 1.00 10.00 H new ATOM 0 HE2 MET A 4 -12.715 7.705 2.252 1.00 10.00 H new ATOM 0 HE3 MET A 4 -12.061 8.803 1.013 1.00 10.00 H new ATOM 53 N ALA A 5 -11.138 8.412 -2.557 1.00 10.00 N ATOM 54 CA ALA A 5 -9.904 8.427 -3.327 1.00 10.00 C ATOM 55 C ALA A 5 -9.207 7.072 -3.288 1.00 10.00 C ATOM 56 O ALA A 5 -8.873 6.564 -2.218 1.00 10.00 O ATOM 57 CB ALA A 5 -8.971 9.513 -2.808 1.00 10.00 C ATOM 0 H ALA A 5 -11.070 8.862 -1.644 1.00 10.00 H new ATOM 0 HA ALA A 5 -10.161 8.643 -4.364 1.00 10.00 H new ATOM 0 HB1 ALA A 5 -8.051 9.513 -3.393 1.00 10.00 H new ATOM 0 HB2 ALA A 5 -9.458 10.484 -2.897 1.00 10.00 H new ATOM 0 HB3 ALA A 5 -8.735 9.320 -1.761 1.00 10.00 H new ATOM 63 N THR A 6 -9.019 6.482 -4.458 1.00 10.00 N ATOM 64 CA THR A 6 -8.344 5.201 -4.567 1.00 10.00 C ATOM 65 C THR A 6 -6.836 5.418 -4.657 1.00 10.00 C ATOM 66 O THR A 6 -6.377 6.406 -5.239 1.00 10.00 O ATOM 67 CB THR A 6 -8.829 4.428 -5.806 1.00 10.00 C ATOM 68 OG1 THR A 6 -9.948 5.110 -6.388 1.00 10.00 O ATOM 69 CG2 THR A 6 -9.233 3.009 -5.440 1.00 10.00 C ATOM 0 H THR A 6 -9.326 6.873 -5.348 1.00 10.00 H new ATOM 0 HA THR A 6 -8.578 4.614 -3.679 1.00 10.00 H new ATOM 0 HB THR A 6 -8.010 4.378 -6.523 1.00 10.00 H new ATOM 0 HG1 THR A 6 -10.256 4.619 -7.178 1.00 10.00 H new ATOM 0 HG21 THR A 6 -9.572 2.485 -6.334 1.00 10.00 H new ATOM 0 HG22 THR A 6 -8.377 2.485 -5.015 1.00 10.00 H new ATOM 0 HG23 THR A 6 -10.041 3.038 -4.708 1.00 10.00 H new ATOM 77 N VAL A 7 -6.069 4.507 -4.083 1.00 10.00 N ATOM 78 CA VAL A 7 -4.619 4.621 -4.092 1.00 10.00 C ATOM 79 C VAL A 7 -3.985 3.521 -4.934 1.00 10.00 C ATOM 80 O VAL A 7 -4.250 2.332 -4.727 1.00 10.00 O ATOM 81 CB VAL A 7 -4.038 4.550 -2.663 1.00 10.00 C ATOM 82 CG1 VAL A 7 -2.625 5.112 -2.629 1.00 10.00 C ATOM 83 CG2 VAL A 7 -4.932 5.283 -1.675 1.00 10.00 C ATOM 0 H VAL A 7 -6.425 3.680 -3.605 1.00 10.00 H new ATOM 0 HA VAL A 7 -4.384 5.593 -4.527 1.00 10.00 H new ATOM 0 HB VAL A 7 -3.997 3.502 -2.367 1.00 10.00 H new ATOM 0 HG11 VAL A 7 -2.234 5.053 -1.613 1.00 10.00 H new ATOM 0 HG12 VAL A 7 -1.987 4.534 -3.298 1.00 10.00 H new ATOM 0 HG13 VAL A 7 -2.640 6.153 -2.952 1.00 10.00 H new ATOM 0 HG21 VAL A 7 -4.500 5.218 -0.676 1.00 10.00 H new ATOM 0 HG22 VAL A 7 -5.015 6.330 -1.967 1.00 10.00 H new ATOM 0 HG23 VAL A 7 -5.922 4.827 -1.673 1.00 10.00 H new ATOM 93 N LYS A 8 -3.169 3.923 -5.900 1.00 10.00 N ATOM 94 CA LYS A 8 -2.472 2.974 -6.755 1.00 10.00 C ATOM 95 C LYS A 8 -1.187 2.533 -6.069 1.00 10.00 C ATOM 96 O LYS A 8 -0.490 3.351 -5.470 1.00 10.00 O ATOM 97 CB LYS A 8 -2.151 3.589 -8.122 1.00 10.00 C ATOM 98 CG LYS A 8 -3.342 3.650 -9.066 1.00 10.00 C ATOM 99 CD LYS A 8 -2.890 3.761 -10.512 1.00 10.00 C ATOM 100 CE LYS A 8 -4.069 3.754 -11.470 1.00 10.00 C ATOM 101 NZ LYS A 8 -3.650 3.420 -12.856 1.00 10.00 N ATOM 0 H LYS A 8 -2.974 4.902 -6.110 1.00 10.00 H new ATOM 0 HA LYS A 8 -3.120 2.113 -6.920 1.00 10.00 H new ATOM 0 HB2 LYS A 8 -1.765 4.598 -7.974 1.00 10.00 H new ATOM 0 HB3 LYS A 8 -1.356 3.010 -8.592 1.00 10.00 H new ATOM 0 HG2 LYS A 8 -3.955 2.757 -8.941 1.00 10.00 H new ATOM 0 HG3 LYS A 8 -3.968 4.505 -8.811 1.00 10.00 H new ATOM 0 HD2 LYS A 8 -2.318 4.679 -10.645 1.00 10.00 H new ATOM 0 HD3 LYS A 8 -2.223 2.932 -10.750 1.00 10.00 H new ATOM 0 HE2 LYS A 8 -4.810 3.031 -11.130 1.00 10.00 H new ATOM 0 HE3 LYS A 8 -4.551 4.732 -11.461 1.00 10.00 H new ATOM 0 HZ1 LYS A 8 -4.359 3.776 -13.528 1.00 10.00 H new ATOM 0 HZ2 LYS A 8 -2.730 3.862 -13.057 1.00 10.00 H new ATOM 0 HZ3 LYS A 8 -3.567 2.388 -12.954 1.00 10.00 H new ATOM 115 N PHE A 9 -0.875 1.252 -6.154 1.00 10.00 N ATOM 116 CA PHE A 9 0.323 0.720 -5.520 1.00 10.00 C ATOM 117 C PHE A 9 1.126 -0.145 -6.481 1.00 10.00 C ATOM 118 O PHE A 9 0.620 -1.137 -7.001 1.00 10.00 O ATOM 119 CB PHE A 9 -0.048 -0.116 -4.290 1.00 10.00 C ATOM 120 CG PHE A 9 -0.563 0.687 -3.136 1.00 10.00 C ATOM 121 CD1 PHE A 9 -1.916 0.717 -2.847 1.00 10.00 C ATOM 122 CD2 PHE A 9 0.310 1.396 -2.331 1.00 10.00 C ATOM 123 CE1 PHE A 9 -2.391 1.446 -1.774 1.00 10.00 C ATOM 124 CE2 PHE A 9 -0.157 2.129 -1.259 1.00 10.00 C ATOM 125 CZ PHE A 9 -1.510 2.151 -0.979 1.00 10.00 C ATOM 0 H PHE A 9 -1.432 0.560 -6.655 1.00 10.00 H new ATOM 0 HA PHE A 9 0.934 1.571 -5.219 1.00 10.00 H new ATOM 0 HB2 PHE A 9 -0.804 -0.847 -4.576 1.00 10.00 H new ATOM 0 HB3 PHE A 9 0.830 -0.675 -3.966 1.00 10.00 H new ATOM 0 HD1 PHE A 9 -2.607 0.165 -3.466 1.00 10.00 H new ATOM 0 HD2 PHE A 9 1.369 1.376 -2.544 1.00 10.00 H new ATOM 0 HE1 PHE A 9 -3.449 1.464 -1.558 1.00 10.00 H new ATOM 0 HE2 PHE A 9 0.533 2.684 -0.641 1.00 10.00 H new ATOM 0 HZ PHE A 9 -1.878 2.720 -0.138 1.00 10.00 H new ATOM 135 N LYS A 10 2.379 0.231 -6.709 1.00 10.00 N ATOM 136 CA LYS A 10 3.262 -0.533 -7.582 1.00 10.00 C ATOM 137 C LYS A 10 3.918 -1.650 -6.769 1.00 10.00 C ATOM 138 O LYS A 10 5.138 -1.693 -6.592 1.00 10.00 O ATOM 139 CB LYS A 10 4.318 0.384 -8.202 1.00 10.00 C ATOM 140 CG LYS A 10 4.978 -0.185 -9.447 1.00 10.00 C ATOM 141 CD LYS A 10 5.852 0.854 -10.127 1.00 10.00 C ATOM 142 CE LYS A 10 6.736 0.234 -11.193 1.00 10.00 C ATOM 143 NZ LYS A 10 7.784 1.181 -11.652 1.00 10.00 N ATOM 0 H LYS A 10 2.807 1.062 -6.301 1.00 10.00 H new ATOM 0 HA LYS A 10 2.686 -0.974 -8.395 1.00 10.00 H new ATOM 0 HB2 LYS A 10 3.854 1.338 -8.453 1.00 10.00 H new ATOM 0 HB3 LYS A 10 5.087 0.590 -7.458 1.00 10.00 H new ATOM 0 HG2 LYS A 10 5.581 -1.052 -9.178 1.00 10.00 H new ATOM 0 HG3 LYS A 10 4.213 -0.532 -10.142 1.00 10.00 H new ATOM 0 HD2 LYS A 10 5.222 1.621 -10.578 1.00 10.00 H new ATOM 0 HD3 LYS A 10 6.474 1.350 -9.382 1.00 10.00 H new ATOM 0 HE2 LYS A 10 7.206 -0.667 -10.798 1.00 10.00 H new ATOM 0 HE3 LYS A 10 6.124 -0.072 -12.042 1.00 10.00 H new ATOM 0 HZ1 LYS A 10 8.515 0.661 -12.179 1.00 10.00 H new ATOM 0 HZ2 LYS A 10 7.356 1.899 -12.270 1.00 10.00 H new ATOM 0 HZ3 LYS A 10 8.216 1.646 -10.828 1.00 10.00 H new ATOM 157 N TYR A 11 3.077 -2.545 -6.271 1.00 10.00 N ATOM 158 CA TYR A 11 3.511 -3.661 -5.446 1.00 10.00 C ATOM 159 C TYR A 11 4.256 -4.709 -6.281 1.00 10.00 C ATOM 160 O TYR A 11 3.673 -5.364 -7.143 1.00 10.00 O ATOM 161 CB TYR A 11 2.284 -4.261 -4.730 1.00 10.00 C ATOM 162 CG TYR A 11 2.252 -5.772 -4.668 1.00 10.00 C ATOM 163 CD1 TYR A 11 3.076 -6.467 -3.800 1.00 10.00 C ATOM 164 CD2 TYR A 11 1.403 -6.499 -5.493 1.00 10.00 C ATOM 165 CE1 TYR A 11 3.054 -7.844 -3.753 1.00 10.00 C ATOM 166 CE2 TYR A 11 1.374 -7.878 -5.450 1.00 10.00 C ATOM 167 CZ TYR A 11 2.206 -8.545 -4.581 1.00 10.00 C ATOM 168 OH TYR A 11 2.192 -9.919 -4.532 1.00 10.00 O ATOM 0 H TYR A 11 2.070 -2.516 -6.429 1.00 10.00 H new ATOM 0 HA TYR A 11 4.217 -3.307 -4.694 1.00 10.00 H new ATOM 0 HB2 TYR A 11 2.249 -3.870 -3.713 1.00 10.00 H new ATOM 0 HB3 TYR A 11 1.383 -3.914 -5.235 1.00 10.00 H new ATOM 0 HD1 TYR A 11 3.745 -5.923 -3.151 1.00 10.00 H new ATOM 0 HD2 TYR A 11 0.754 -5.976 -6.180 1.00 10.00 H new ATOM 0 HE1 TYR A 11 3.701 -8.372 -3.068 1.00 10.00 H new ATOM 0 HE2 TYR A 11 0.704 -8.429 -6.093 1.00 10.00 H new ATOM 0 HH TYR A 11 2.861 -10.230 -3.887 1.00 10.00 H new ATOM 178 N LYS A 12 5.561 -4.824 -6.031 1.00 10.00 N ATOM 179 CA LYS A 12 6.430 -5.783 -6.724 1.00 10.00 C ATOM 180 C LYS A 12 6.373 -5.612 -8.243 1.00 10.00 C ATOM 181 O LYS A 12 6.734 -6.520 -8.994 1.00 10.00 O ATOM 182 CB LYS A 12 6.060 -7.221 -6.351 1.00 10.00 C ATOM 183 CG LYS A 12 6.263 -7.548 -4.880 1.00 10.00 C ATOM 184 CD LYS A 12 6.351 -9.048 -4.644 1.00 10.00 C ATOM 185 CE LYS A 12 7.760 -9.572 -4.877 1.00 10.00 C ATOM 186 NZ LYS A 12 7.788 -11.045 -5.071 1.00 10.00 N ATOM 0 H LYS A 12 6.049 -4.254 -5.340 1.00 10.00 H new ATOM 0 HA LYS A 12 7.450 -5.579 -6.399 1.00 10.00 H new ATOM 0 HB2 LYS A 12 5.016 -7.396 -6.611 1.00 10.00 H new ATOM 0 HB3 LYS A 12 6.658 -7.907 -6.951 1.00 10.00 H new ATOM 0 HG2 LYS A 12 7.175 -7.069 -4.523 1.00 10.00 H new ATOM 0 HG3 LYS A 12 5.438 -7.136 -4.298 1.00 10.00 H new ATOM 0 HD2 LYS A 12 6.043 -9.275 -3.623 1.00 10.00 H new ATOM 0 HD3 LYS A 12 5.657 -9.562 -5.309 1.00 10.00 H new ATOM 0 HE2 LYS A 12 8.187 -9.084 -5.753 1.00 10.00 H new ATOM 0 HE3 LYS A 12 8.389 -9.308 -4.027 1.00 10.00 H new ATOM 0 HZ1 LYS A 12 8.768 -11.356 -5.226 1.00 10.00 H new ATOM 0 HZ2 LYS A 12 7.406 -11.514 -4.225 1.00 10.00 H new ATOM 0 HZ3 LYS A 12 7.210 -11.297 -5.898 1.00 10.00 H new ATOM 200 N GLY A 13 5.940 -4.443 -8.689 1.00 10.00 N ATOM 201 CA GLY A 13 5.829 -4.182 -10.111 1.00 10.00 C ATOM 202 C GLY A 13 4.391 -4.256 -10.582 1.00 10.00 C ATOM 203 O GLY A 13 4.037 -3.675 -11.608 1.00 10.00 O ATOM 0 H GLY A 13 5.662 -3.666 -8.089 1.00 10.00 H new ATOM 0 HA2 GLY A 13 6.235 -3.195 -10.333 1.00 10.00 H new ATOM 0 HA3 GLY A 13 6.430 -4.905 -10.662 1.00 10.00 H new ATOM 207 N GLU A 14 3.563 -4.959 -9.820 1.00 10.00 N ATOM 208 CA GLU A 14 2.154 -5.112 -10.142 1.00 10.00 C ATOM 209 C GLU A 14 1.385 -3.875 -9.696 1.00 10.00 C ATOM 210 O GLU A 14 1.428 -3.495 -8.526 1.00 10.00 O ATOM 211 CB GLU A 14 1.587 -6.365 -9.468 1.00 10.00 C ATOM 212 CG GLU A 14 0.129 -6.645 -9.810 1.00 10.00 C ATOM 213 CD GLU A 14 -0.304 -8.047 -9.430 1.00 10.00 C ATOM 214 OE1 GLU A 14 0.073 -9.005 -10.140 1.00 10.00 O ATOM 215 OE2 GLU A 14 -1.028 -8.203 -8.430 1.00 10.00 O ATOM 0 H GLU A 14 3.850 -5.436 -8.965 1.00 10.00 H new ATOM 0 HA GLU A 14 2.047 -5.224 -11.221 1.00 10.00 H new ATOM 0 HB2 GLU A 14 2.190 -7.226 -9.758 1.00 10.00 H new ATOM 0 HB3 GLU A 14 1.682 -6.259 -8.387 1.00 10.00 H new ATOM 0 HG2 GLU A 14 -0.505 -5.922 -9.297 1.00 10.00 H new ATOM 0 HG3 GLU A 14 -0.023 -6.500 -10.880 1.00 10.00 H new ATOM 222 N GLU A 15 0.697 -3.247 -10.633 1.00 10.00 N ATOM 223 CA GLU A 15 -0.068 -2.048 -10.345 1.00 10.00 C ATOM 224 C GLU A 15 -1.394 -2.390 -9.671 1.00 10.00 C ATOM 225 O GLU A 15 -2.384 -2.711 -10.335 1.00 10.00 O ATOM 226 CB GLU A 15 -0.317 -1.265 -11.630 1.00 10.00 C ATOM 227 CG GLU A 15 -0.671 0.191 -11.398 1.00 10.00 C ATOM 228 CD GLU A 15 -1.293 0.826 -12.618 1.00 10.00 C ATOM 229 OE1 GLU A 15 -0.568 1.085 -13.600 1.00 10.00 O ATOM 230 OE2 GLU A 15 -2.518 1.054 -12.612 1.00 10.00 O ATOM 0 H GLU A 15 0.653 -3.550 -11.606 1.00 10.00 H new ATOM 0 HA GLU A 15 0.511 -1.432 -9.657 1.00 10.00 H new ATOM 0 HB2 GLU A 15 0.574 -1.318 -12.256 1.00 10.00 H new ATOM 0 HB3 GLU A 15 -1.125 -1.742 -12.185 1.00 10.00 H new ATOM 0 HG2 GLU A 15 -1.362 0.266 -10.559 1.00 10.00 H new ATOM 0 HG3 GLU A 15 0.228 0.742 -11.121 1.00 10.00 H new ATOM 237 N LYS A 16 -1.393 -2.335 -8.351 1.00 10.00 N ATOM 238 CA LYS A 16 -2.581 -2.610 -7.570 1.00 10.00 C ATOM 239 C LYS A 16 -3.332 -1.315 -7.319 1.00 10.00 C ATOM 240 O LYS A 16 -2.774 -0.226 -7.460 1.00 10.00 O ATOM 241 CB LYS A 16 -2.217 -3.263 -6.232 1.00 10.00 C ATOM 242 CG LYS A 16 -1.745 -4.704 -6.348 1.00 10.00 C ATOM 243 CD LYS A 16 -2.790 -5.680 -5.830 1.00 10.00 C ATOM 244 CE LYS A 16 -2.256 -7.105 -5.799 1.00 10.00 C ATOM 245 NZ LYS A 16 -3.288 -8.082 -5.362 1.00 10.00 N ATOM 0 H LYS A 16 -0.571 -2.099 -7.794 1.00 10.00 H new ATOM 0 HA LYS A 16 -3.212 -3.301 -8.129 1.00 10.00 H new ATOM 0 HB2 LYS A 16 -1.434 -2.674 -5.754 1.00 10.00 H new ATOM 0 HB3 LYS A 16 -3.087 -3.229 -5.576 1.00 10.00 H new ATOM 0 HG2 LYS A 16 -1.520 -4.931 -7.390 1.00 10.00 H new ATOM 0 HG3 LYS A 16 -0.819 -4.830 -5.787 1.00 10.00 H new ATOM 0 HD2 LYS A 16 -3.100 -5.385 -4.828 1.00 10.00 H new ATOM 0 HD3 LYS A 16 -3.676 -5.636 -6.463 1.00 10.00 H new ATOM 0 HE2 LYS A 16 -1.897 -7.378 -6.791 1.00 10.00 H new ATOM 0 HE3 LYS A 16 -1.401 -7.156 -5.125 1.00 10.00 H new ATOM 0 HZ1 LYS A 16 -2.901 -9.045 -5.421 1.00 10.00 H new ATOM 0 HZ2 LYS A 16 -3.564 -7.879 -4.380 1.00 10.00 H new ATOM 0 HZ3 LYS A 16 -4.122 -8.006 -5.979 1.00 10.00 H new ATOM 259 N GLN A 17 -4.594 -1.432 -6.959 1.00 10.00 N ATOM 260 CA GLN A 17 -5.414 -0.267 -6.675 1.00 10.00 C ATOM 261 C GLN A 17 -6.338 -0.560 -5.505 1.00 10.00 C ATOM 262 O GLN A 17 -7.327 -1.284 -5.641 1.00 10.00 O ATOM 263 CB GLN A 17 -6.222 0.146 -7.906 1.00 10.00 C ATOM 264 CG GLN A 17 -6.832 1.536 -7.792 1.00 10.00 C ATOM 265 CD GLN A 17 -7.137 2.159 -9.141 1.00 10.00 C ATOM 266 OE1 GLN A 17 -7.073 3.378 -9.303 1.00 10.00 O ATOM 267 NE2 GLN A 17 -7.481 1.333 -10.115 1.00 10.00 N ATOM 0 H GLN A 17 -5.077 -2.324 -6.855 1.00 10.00 H new ATOM 0 HA GLN A 17 -4.759 0.563 -6.411 1.00 10.00 H new ATOM 0 HB2 GLN A 17 -5.576 0.112 -8.783 1.00 10.00 H new ATOM 0 HB3 GLN A 17 -7.019 -0.580 -8.068 1.00 10.00 H new ATOM 0 HG2 GLN A 17 -7.751 1.477 -7.208 1.00 10.00 H new ATOM 0 HG3 GLN A 17 -6.147 2.184 -7.245 1.00 10.00 H new ATOM 0 HE21 GLN A 17 -7.523 0.329 -9.941 1.00 10.00 H new ATOM 0 HE22 GLN A 17 -7.705 1.700 -11.040 1.00 10.00 H new ATOM 276 N VAL A 18 -6.003 -0.001 -4.356 1.00 10.00 N ATOM 277 CA VAL A 18 -6.781 -0.208 -3.146 1.00 10.00 C ATOM 278 C VAL A 18 -7.468 1.082 -2.720 1.00 10.00 C ATOM 279 O VAL A 18 -6.918 2.173 -2.882 1.00 10.00 O ATOM 280 CB VAL A 18 -5.895 -0.719 -1.987 1.00 10.00 C ATOM 281 CG1 VAL A 18 -6.734 -1.052 -0.767 1.00 10.00 C ATOM 282 CG2 VAL A 18 -5.096 -1.933 -2.423 1.00 10.00 C ATOM 0 H VAL A 18 -5.191 0.604 -4.235 1.00 10.00 H new ATOM 0 HA VAL A 18 -7.534 -0.963 -3.372 1.00 10.00 H new ATOM 0 HB VAL A 18 -5.202 0.078 -1.717 1.00 10.00 H new ATOM 0 HG11 VAL A 18 -6.086 -1.409 0.034 1.00 10.00 H new ATOM 0 HG12 VAL A 18 -7.263 -0.159 -0.435 1.00 10.00 H new ATOM 0 HG13 VAL A 18 -7.456 -1.827 -1.023 1.00 10.00 H new ATOM 0 HG21 VAL A 18 -4.478 -2.279 -1.594 1.00 10.00 H new ATOM 0 HG22 VAL A 18 -5.778 -2.728 -2.724 1.00 10.00 H new ATOM 0 HG23 VAL A 18 -4.457 -1.665 -3.265 1.00 10.00 H new ATOM 292 N ASP A 19 -8.680 0.954 -2.201 1.00 10.00 N ATOM 293 CA ASP A 19 -9.438 2.109 -1.739 1.00 10.00 C ATOM 294 C ASP A 19 -8.907 2.570 -0.386 1.00 10.00 C ATOM 295 O ASP A 19 -8.500 1.750 0.439 1.00 10.00 O ATOM 296 CB ASP A 19 -10.922 1.763 -1.630 1.00 10.00 C ATOM 297 CG ASP A 19 -11.799 2.989 -1.487 1.00 10.00 C ATOM 298 OD1 ASP A 19 -11.773 3.623 -0.414 1.00 10.00 O ATOM 299 OD2 ASP A 19 -12.534 3.309 -2.445 1.00 10.00 O ATOM 0 H ASP A 19 -9.161 0.061 -2.089 1.00 10.00 H new ATOM 0 HA ASP A 19 -9.322 2.917 -2.462 1.00 10.00 H new ATOM 0 HB2 ASP A 19 -11.227 1.205 -2.515 1.00 10.00 H new ATOM 0 HB3 ASP A 19 -11.076 1.109 -0.772 1.00 10.00 H new ATOM 304 N ILE A 20 -8.933 3.875 -0.152 1.00 10.00 N ATOM 305 CA ILE A 20 -8.444 4.448 1.100 1.00 10.00 C ATOM 306 C ILE A 20 -9.255 3.957 2.307 1.00 10.00 C ATOM 307 O ILE A 20 -8.757 3.939 3.434 1.00 10.00 O ATOM 308 CB ILE A 20 -8.462 5.996 1.043 1.00 10.00 C ATOM 309 CG1 ILE A 20 -7.703 6.594 2.233 1.00 10.00 C ATOM 310 CG2 ILE A 20 -9.891 6.524 0.992 1.00 10.00 C ATOM 311 CD1 ILE A 20 -7.506 8.093 2.138 1.00 10.00 C ATOM 0 H ILE A 20 -9.289 4.563 -0.816 1.00 10.00 H new ATOM 0 HA ILE A 20 -7.415 4.110 1.226 1.00 10.00 H new ATOM 0 HB ILE A 20 -7.956 6.304 0.128 1.00 10.00 H new ATOM 0 HG12 ILE A 20 -8.245 6.365 3.151 1.00 10.00 H new ATOM 0 HG13 ILE A 20 -6.728 6.112 2.310 1.00 10.00 H new ATOM 0 HG21 ILE A 20 -9.875 7.613 0.953 1.00 10.00 H new ATOM 0 HG22 ILE A 20 -10.391 6.136 0.104 1.00 10.00 H new ATOM 0 HG23 ILE A 20 -10.430 6.201 1.882 1.00 10.00 H new ATOM 0 HD11 ILE A 20 -6.962 8.445 3.014 1.00 10.00 H new ATOM 0 HD12 ILE A 20 -6.937 8.329 1.239 1.00 10.00 H new ATOM 0 HD13 ILE A 20 -8.477 8.585 2.092 1.00 10.00 H new ATOM 323 N SER A 21 -10.494 3.545 2.070 1.00 10.00 N ATOM 324 CA SER A 21 -11.349 3.060 3.145 1.00 10.00 C ATOM 325 C SER A 21 -11.005 1.615 3.509 1.00 10.00 C ATOM 326 O SER A 21 -11.308 1.150 4.609 1.00 10.00 O ATOM 327 CB SER A 21 -12.827 3.168 2.748 1.00 10.00 C ATOM 328 OG SER A 21 -13.082 2.507 1.518 1.00 10.00 O ATOM 0 H SER A 21 -10.928 3.537 1.147 1.00 10.00 H new ATOM 0 HA SER A 21 -11.174 3.685 4.021 1.00 10.00 H new ATOM 0 HB2 SER A 21 -13.448 2.734 3.532 1.00 10.00 H new ATOM 0 HB3 SER A 21 -13.107 4.218 2.663 1.00 10.00 H new ATOM 0 HG SER A 21 -12.917 3.124 0.775 1.00 10.00 H new ATOM 334 N LYS A 22 -10.356 0.910 2.588 1.00 10.00 N ATOM 335 CA LYS A 22 -9.986 -0.481 2.817 1.00 10.00 C ATOM 336 C LYS A 22 -8.627 -0.580 3.498 1.00 10.00 C ATOM 337 O LYS A 22 -8.303 -1.599 4.110 1.00 10.00 O ATOM 338 CB LYS A 22 -9.975 -1.263 1.502 1.00 10.00 C ATOM 339 CG LYS A 22 -11.350 -1.403 0.871 1.00 10.00 C ATOM 340 CD LYS A 22 -11.312 -2.321 -0.340 1.00 10.00 C ATOM 341 CE LYS A 22 -12.633 -2.312 -1.093 1.00 10.00 C ATOM 342 NZ LYS A 22 -12.611 -3.226 -2.266 1.00 10.00 N ATOM 0 H LYS A 22 -10.076 1.278 1.679 1.00 10.00 H new ATOM 0 HA LYS A 22 -10.734 -0.920 3.477 1.00 10.00 H new ATOM 0 HB2 LYS A 22 -9.309 -0.765 0.797 1.00 10.00 H new ATOM 0 HB3 LYS A 22 -9.563 -2.256 1.682 1.00 10.00 H new ATOM 0 HG2 LYS A 22 -12.051 -1.797 1.607 1.00 10.00 H new ATOM 0 HG3 LYS A 22 -11.718 -0.421 0.574 1.00 10.00 H new ATOM 0 HD2 LYS A 22 -10.510 -2.009 -1.009 1.00 10.00 H new ATOM 0 HD3 LYS A 22 -11.083 -3.337 -0.019 1.00 10.00 H new ATOM 0 HE2 LYS A 22 -13.437 -2.607 -0.419 1.00 10.00 H new ATOM 0 HE3 LYS A 22 -12.853 -1.298 -1.427 1.00 10.00 H new ATOM 0 HZ1 LYS A 22 -13.530 -3.190 -2.751 1.00 10.00 H new ATOM 0 HZ2 LYS A 22 -11.861 -2.930 -2.923 1.00 10.00 H new ATOM 0 HZ3 LYS A 22 -12.427 -4.198 -1.945 1.00 10.00 H new ATOM 356 N ILE A 23 -7.835 0.478 3.384 1.00 10.00 N ATOM 357 CA ILE A 23 -6.517 0.511 3.999 1.00 10.00 C ATOM 358 C ILE A 23 -6.646 0.571 5.519 1.00 10.00 C ATOM 359 O ILE A 23 -7.274 1.480 6.066 1.00 10.00 O ATOM 360 CB ILE A 23 -5.681 1.712 3.503 1.00 10.00 C ATOM 361 CG1 ILE A 23 -5.541 1.669 1.979 1.00 10.00 C ATOM 362 CG2 ILE A 23 -4.308 1.717 4.165 1.00 10.00 C ATOM 363 CD1 ILE A 23 -4.809 2.860 1.396 1.00 10.00 C ATOM 0 H ILE A 23 -8.083 1.324 2.871 1.00 10.00 H new ATOM 0 HA ILE A 23 -5.999 -0.403 3.709 1.00 10.00 H new ATOM 0 HB ILE A 23 -6.198 2.631 3.778 1.00 10.00 H new ATOM 0 HG12 ILE A 23 -5.013 0.758 1.698 1.00 10.00 H new ATOM 0 HG13 ILE A 23 -6.534 1.612 1.534 1.00 10.00 H new ATOM 0 HG21 ILE A 23 -3.733 2.570 3.804 1.00 10.00 H new ATOM 0 HG22 ILE A 23 -4.426 1.790 5.246 1.00 10.00 H new ATOM 0 HG23 ILE A 23 -3.782 0.794 3.919 1.00 10.00 H new ATOM 0 HD11 ILE A 23 -4.750 2.756 0.313 1.00 10.00 H new ATOM 0 HD12 ILE A 23 -5.347 3.775 1.645 1.00 10.00 H new ATOM 0 HD13 ILE A 23 -3.802 2.907 1.811 1.00 10.00 H new ATOM 375 N LEU A 24 -6.050 -0.398 6.194 1.00 10.00 N ATOM 376 CA LEU A 24 -6.116 -0.469 7.641 1.00 10.00 C ATOM 377 C LEU A 24 -4.989 0.333 8.281 1.00 10.00 C ATOM 378 O LEU A 24 -5.233 1.280 9.029 1.00 10.00 O ATOM 379 CB LEU A 24 -6.050 -1.929 8.095 1.00 10.00 C ATOM 380 CG LEU A 24 -7.122 -2.841 7.493 1.00 10.00 C ATOM 381 CD1 LEU A 24 -6.865 -4.290 7.875 1.00 10.00 C ATOM 382 CD2 LEU A 24 -8.507 -2.409 7.950 1.00 10.00 C ATOM 0 H LEU A 24 -5.513 -1.148 5.759 1.00 10.00 H new ATOM 0 HA LEU A 24 -7.063 -0.036 7.963 1.00 10.00 H new ATOM 0 HB2 LEU A 24 -5.069 -2.329 7.840 1.00 10.00 H new ATOM 0 HB3 LEU A 24 -6.135 -1.961 9.181 1.00 10.00 H new ATOM 0 HG LEU A 24 -7.075 -2.757 6.407 1.00 10.00 H new ATOM 0 HD11 LEU A 24 -7.637 -4.924 7.438 1.00 10.00 H new ATOM 0 HD12 LEU A 24 -5.888 -4.597 7.501 1.00 10.00 H new ATOM 0 HD13 LEU A 24 -6.885 -4.389 8.960 1.00 10.00 H new ATOM 0 HD21 LEU A 24 -9.257 -3.068 7.512 1.00 10.00 H new ATOM 0 HD22 LEU A 24 -8.565 -2.464 9.037 1.00 10.00 H new ATOM 0 HD23 LEU A 24 -8.693 -1.384 7.628 1.00 10.00 H new ATOM 394 N SER A 25 -3.749 -0.035 7.981 1.00 10.00 N ATOM 395 CA SER A 25 -2.596 0.656 8.547 1.00 10.00 C ATOM 396 C SER A 25 -1.405 0.616 7.592 1.00 10.00 C ATOM 397 O SER A 25 -1.224 -0.355 6.854 1.00 10.00 O ATOM 398 CB SER A 25 -2.214 0.018 9.888 1.00 10.00 C ATOM 399 OG SER A 25 -3.310 0.022 10.791 1.00 10.00 O ATOM 0 H SER A 25 -3.516 -0.804 7.352 1.00 10.00 H new ATOM 0 HA SER A 25 -2.868 1.700 8.705 1.00 10.00 H new ATOM 0 HB2 SER A 25 -1.879 -1.006 9.724 1.00 10.00 H new ATOM 0 HB3 SER A 25 -1.377 0.561 10.326 1.00 10.00 H new ATOM 0 HG SER A 25 -3.039 -0.392 11.637 1.00 10.00 H new ATOM 405 N VAL A 26 -0.608 1.680 7.605 1.00 10.00 N ATOM 406 CA VAL A 26 0.576 1.768 6.758 1.00 10.00 C ATOM 407 C VAL A 26 1.820 1.958 7.622 1.00 10.00 C ATOM 408 O VAL A 26 1.790 2.702 8.606 1.00 10.00 O ATOM 409 CB VAL A 26 0.471 2.938 5.749 1.00 10.00 C ATOM 410 CG1 VAL A 26 1.664 2.950 4.805 1.00 10.00 C ATOM 411 CG2 VAL A 26 -0.829 2.861 4.963 1.00 10.00 C ATOM 0 H VAL A 26 -0.762 2.497 8.196 1.00 10.00 H new ATOM 0 HA VAL A 26 0.649 0.837 6.196 1.00 10.00 H new ATOM 0 HB VAL A 26 0.474 3.869 6.316 1.00 10.00 H new ATOM 0 HG11 VAL A 26 1.567 3.781 4.106 1.00 10.00 H new ATOM 0 HG12 VAL A 26 2.582 3.066 5.381 1.00 10.00 H new ATOM 0 HG13 VAL A 26 1.699 2.012 4.251 1.00 10.00 H new ATOM 0 HG21 VAL A 26 -0.880 3.693 4.261 1.00 10.00 H new ATOM 0 HG22 VAL A 26 -0.867 1.920 4.414 1.00 10.00 H new ATOM 0 HG23 VAL A 26 -1.673 2.914 5.650 1.00 10.00 H new ATOM 421 N GLY A 27 2.902 1.271 7.270 1.00 10.00 N ATOM 422 CA GLY A 27 4.135 1.388 8.022 1.00 10.00 C ATOM 423 C GLY A 27 5.344 1.576 7.124 1.00 10.00 C ATOM 424 O GLY A 27 5.534 0.831 6.158 1.00 10.00 O ATOM 0 H GLY A 27 2.945 0.634 6.475 1.00 10.00 H new ATOM 0 HA2 GLY A 27 4.060 2.232 8.708 1.00 10.00 H new ATOM 0 HA3 GLY A 27 4.273 0.494 8.630 1.00 10.00 H new ATOM 428 N ARG A 28 6.167 2.561 7.445 1.00 10.00 N ATOM 429 CA ARG A 28 7.356 2.851 6.658 1.00 10.00 C ATOM 430 C ARG A 28 8.573 2.139 7.240 1.00 10.00 C ATOM 431 O ARG A 28 8.982 2.415 8.365 1.00 10.00 O ATOM 432 CB ARG A 28 7.610 4.361 6.622 1.00 10.00 C ATOM 433 CG ARG A 28 8.699 4.775 5.647 1.00 10.00 C ATOM 434 CD ARG A 28 9.488 5.965 6.165 1.00 10.00 C ATOM 435 NE ARG A 28 10.427 6.477 5.170 1.00 10.00 N ATOM 436 CZ ARG A 28 11.475 7.245 5.454 1.00 10.00 C ATOM 437 NH1 ARG A 28 11.736 7.592 6.712 1.00 10.00 N ATOM 438 NH2 ARG A 28 12.267 7.651 4.478 1.00 10.00 N ATOM 0 H ARG A 28 6.033 3.176 8.248 1.00 10.00 H new ATOM 0 HA ARG A 28 7.191 2.490 5.643 1.00 10.00 H new ATOM 0 HB2 ARG A 28 6.684 4.870 6.355 1.00 10.00 H new ATOM 0 HB3 ARG A 28 7.883 4.698 7.622 1.00 10.00 H new ATOM 0 HG2 ARG A 28 9.374 3.936 5.476 1.00 10.00 H new ATOM 0 HG3 ARG A 28 8.252 5.025 4.685 1.00 10.00 H new ATOM 0 HD2 ARG A 28 8.799 6.758 6.454 1.00 10.00 H new ATOM 0 HD3 ARG A 28 10.034 5.674 7.062 1.00 10.00 H new ATOM 0 HE ARG A 28 10.269 6.229 4.193 1.00 10.00 H new ATOM 0 HH11 ARG A 28 11.130 7.269 7.466 1.00 10.00 H new ATOM 0 HH12 ARG A 28 12.542 8.181 6.922 1.00 10.00 H new ATOM 0 HH21 ARG A 28 12.073 7.375 3.515 1.00 10.00 H new ATOM 0 HH22 ARG A 28 13.073 8.240 4.687 1.00 10.00 H new ATOM 452 N TYR A 29 9.149 1.227 6.464 1.00 10.00 N ATOM 453 CA TYR A 29 10.329 0.476 6.892 1.00 10.00 C ATOM 454 C TYR A 29 11.601 1.249 6.549 1.00 10.00 C ATOM 455 O TYR A 29 12.711 0.822 6.868 1.00 10.00 O ATOM 456 CB TYR A 29 10.370 -0.889 6.204 1.00 10.00 C ATOM 457 CG TYR A 29 9.593 -1.974 6.918 1.00 10.00 C ATOM 458 CD1 TYR A 29 8.202 -1.975 6.928 1.00 10.00 C ATOM 459 CD2 TYR A 29 10.253 -3.007 7.571 1.00 10.00 C ATOM 460 CE1 TYR A 29 7.495 -2.975 7.570 1.00 10.00 C ATOM 461 CE2 TYR A 29 9.554 -4.008 8.217 1.00 10.00 C ATOM 462 CZ TYR A 29 8.176 -3.988 8.214 1.00 10.00 C ATOM 463 OH TYR A 29 7.472 -4.988 8.850 1.00 10.00 O ATOM 0 H TYR A 29 8.817 0.987 5.530 1.00 10.00 H new ATOM 0 HA TYR A 29 10.270 0.334 7.971 1.00 10.00 H new ATOM 0 HB2 TYR A 29 9.978 -0.784 5.192 1.00 10.00 H new ATOM 0 HB3 TYR A 29 11.409 -1.204 6.112 1.00 10.00 H new ATOM 0 HD1 TYR A 29 7.666 -1.183 6.427 1.00 10.00 H new ATOM 0 HD2 TYR A 29 11.333 -3.028 7.574 1.00 10.00 H new ATOM 0 HE1 TYR A 29 6.415 -2.963 7.567 1.00 10.00 H new ATOM 0 HE2 TYR A 29 10.084 -4.802 8.722 1.00 10.00 H new ATOM 0 HH TYR A 29 8.099 -5.624 9.253 1.00 10.00 H new ATOM 473 N GLY A 30 11.419 2.381 5.891 1.00 10.00 N ATOM 474 CA GLY A 30 12.534 3.210 5.485 1.00 10.00 C ATOM 475 C GLY A 30 12.492 3.461 3.998 1.00 10.00 C ATOM 476 O GLY A 30 11.855 4.409 3.545 1.00 10.00 O ATOM 0 H GLY A 30 10.504 2.746 5.627 1.00 10.00 H new ATOM 0 HA2 GLY A 30 12.503 4.159 6.021 1.00 10.00 H new ATOM 0 HA3 GLY A 30 13.472 2.724 5.751 1.00 10.00 H new ATOM 480 N LYS A 31 13.149 2.605 3.234 1.00 10.00 N ATOM 481 CA LYS A 31 13.154 2.731 1.782 1.00 10.00 C ATOM 482 C LYS A 31 11.963 1.985 1.189 1.00 10.00 C ATOM 483 O LYS A 31 11.566 2.225 0.047 1.00 10.00 O ATOM 484 CB LYS A 31 14.461 2.196 1.192 1.00 10.00 C ATOM 485 CG LYS A 31 15.663 3.089 1.462 1.00 10.00 C ATOM 486 CD LYS A 31 15.446 4.504 0.940 1.00 10.00 C ATOM 487 CE LYS A 31 15.240 5.488 2.079 1.00 10.00 C ATOM 488 NZ LYS A 31 14.836 6.828 1.591 1.00 10.00 N ATOM 0 H LYS A 31 13.686 1.815 3.592 1.00 10.00 H new ATOM 0 HA LYS A 31 13.074 3.788 1.528 1.00 10.00 H new ATOM 0 HB2 LYS A 31 14.656 1.205 1.602 1.00 10.00 H new ATOM 0 HB3 LYS A 31 14.342 2.077 0.115 1.00 10.00 H new ATOM 0 HG2 LYS A 31 15.857 3.123 2.534 1.00 10.00 H new ATOM 0 HG3 LYS A 31 16.548 2.660 0.991 1.00 10.00 H new ATOM 0 HD2 LYS A 31 16.306 4.810 0.344 1.00 10.00 H new ATOM 0 HD3 LYS A 31 14.578 4.521 0.280 1.00 10.00 H new ATOM 0 HE2 LYS A 31 14.477 5.104 2.756 1.00 10.00 H new ATOM 0 HE3 LYS A 31 16.162 5.575 2.654 1.00 10.00 H new ATOM 0 HZ1 LYS A 31 15.407 7.557 2.065 1.00 10.00 H new ATOM 0 HZ2 LYS A 31 14.987 6.884 0.564 1.00 10.00 H new ATOM 0 HZ3 LYS A 31 13.830 6.985 1.802 1.00 10.00 H new ATOM 502 N LEU A 32 11.399 1.083 1.982 1.00 10.00 N ATOM 503 CA LEU A 32 10.250 0.295 1.565 1.00 10.00 C ATOM 504 C LEU A 32 9.045 0.623 2.443 1.00 10.00 C ATOM 505 O LEU A 32 9.182 0.826 3.652 1.00 10.00 O ATOM 506 CB LEU A 32 10.568 -1.204 1.641 1.00 10.00 C ATOM 507 CG LEU A 32 11.284 -1.790 0.420 1.00 10.00 C ATOM 508 CD1 LEU A 32 11.694 -3.226 0.687 1.00 10.00 C ATOM 509 CD2 LEU A 32 10.395 -1.714 -0.812 1.00 10.00 C ATOM 0 H LEU A 32 11.724 0.879 2.927 1.00 10.00 H new ATOM 0 HA LEU A 32 10.014 0.545 0.531 1.00 10.00 H new ATOM 0 HB2 LEU A 32 11.185 -1.382 2.522 1.00 10.00 H new ATOM 0 HB3 LEU A 32 9.635 -1.748 1.789 1.00 10.00 H new ATOM 0 HG LEU A 32 12.181 -1.200 0.233 1.00 10.00 H new ATOM 0 HD11 LEU A 32 12.201 -3.629 -0.190 1.00 10.00 H new ATOM 0 HD12 LEU A 32 12.368 -3.259 1.543 1.00 10.00 H new ATOM 0 HD13 LEU A 32 10.808 -3.824 0.900 1.00 10.00 H new ATOM 0 HD21 LEU A 32 10.922 -2.135 -1.668 1.00 10.00 H new ATOM 0 HD22 LEU A 32 9.480 -2.279 -0.636 1.00 10.00 H new ATOM 0 HD23 LEU A 32 10.145 -0.673 -1.017 1.00 10.00 H new ATOM 521 N ILE A 33 7.875 0.691 1.829 1.00 10.00 N ATOM 522 CA ILE A 33 6.643 1.001 2.542 1.00 10.00 C ATOM 523 C ILE A 33 5.660 -0.163 2.444 1.00 10.00 C ATOM 524 O ILE A 33 5.232 -0.534 1.350 1.00 10.00 O ATOM 525 CB ILE A 33 5.970 2.271 1.977 1.00 10.00 C ATOM 526 CG1 ILE A 33 7.012 3.356 1.689 1.00 10.00 C ATOM 527 CG2 ILE A 33 4.917 2.790 2.947 1.00 10.00 C ATOM 528 CD1 ILE A 33 6.498 4.469 0.799 1.00 10.00 C ATOM 0 H ILE A 33 7.751 0.534 0.829 1.00 10.00 H new ATOM 0 HA ILE A 33 6.908 1.174 3.585 1.00 10.00 H new ATOM 0 HB ILE A 33 5.481 2.010 1.039 1.00 10.00 H new ATOM 0 HG12 ILE A 33 7.350 3.784 2.633 1.00 10.00 H new ATOM 0 HG13 ILE A 33 7.881 2.897 1.218 1.00 10.00 H new ATOM 0 HG21 ILE A 33 4.452 3.685 2.534 1.00 10.00 H new ATOM 0 HG22 ILE A 33 4.157 2.025 3.102 1.00 10.00 H new ATOM 0 HG23 ILE A 33 5.388 3.032 3.900 1.00 10.00 H new ATOM 0 HD11 ILE A 33 7.289 5.201 0.638 1.00 10.00 H new ATOM 0 HD12 ILE A 33 6.187 4.054 -0.160 1.00 10.00 H new ATOM 0 HD13 ILE A 33 5.647 4.954 1.278 1.00 10.00 H new ATOM 540 N HIS A 34 5.296 -0.724 3.586 1.00 10.00 N ATOM 541 CA HIS A 34 4.371 -1.849 3.621 1.00 10.00 C ATOM 542 C HIS A 34 3.062 -1.438 4.290 1.00 10.00 C ATOM 543 O HIS A 34 3.068 -0.736 5.303 1.00 10.00 O ATOM 544 CB HIS A 34 5.011 -3.035 4.357 1.00 10.00 C ATOM 545 CG HIS A 34 4.093 -4.206 4.552 1.00 10.00 C ATOM 546 ND1 HIS A 34 3.818 -5.147 3.584 1.00 10.00 N ATOM 547 CD2 HIS A 34 3.383 -4.581 5.647 1.00 10.00 C ATOM 548 CE1 HIS A 34 2.968 -6.037 4.105 1.00 10.00 C ATOM 549 NE2 HIS A 34 2.671 -5.741 5.354 1.00 10.00 N ATOM 0 H HIS A 34 5.626 -0.420 4.502 1.00 10.00 H new ATOM 0 HA HIS A 34 4.149 -2.157 2.599 1.00 10.00 H new ATOM 0 HB2 HIS A 34 5.888 -3.364 3.799 1.00 10.00 H new ATOM 0 HB3 HIS A 34 5.362 -2.697 5.332 1.00 10.00 H new ATOM 0 HD1 HIS A 34 4.196 -5.162 2.637 1.00 10.00 H new ATOM 0 HD2 HIS A 34 3.372 -4.062 6.594 1.00 10.00 H new ATOM 0 HE1 HIS A 34 2.575 -6.889 3.571 1.00 10.00 H new ATOM 557 N PHE A 35 1.944 -1.874 3.726 1.00 10.00 N ATOM 558 CA PHE A 35 0.640 -1.536 4.278 1.00 10.00 C ATOM 559 C PHE A 35 -0.287 -2.747 4.296 1.00 10.00 C ATOM 560 O PHE A 35 -0.101 -3.698 3.535 1.00 10.00 O ATOM 561 CB PHE A 35 -0.004 -0.392 3.481 1.00 10.00 C ATOM 562 CG PHE A 35 -0.687 -0.826 2.211 1.00 10.00 C ATOM 563 CD1 PHE A 35 -2.072 -0.856 2.129 1.00 10.00 C ATOM 564 CD2 PHE A 35 0.051 -1.202 1.100 1.00 10.00 C ATOM 565 CE1 PHE A 35 -2.704 -1.251 0.967 1.00 10.00 C ATOM 566 CE2 PHE A 35 -0.578 -1.599 -0.063 1.00 10.00 C ATOM 567 CZ PHE A 35 -1.954 -1.623 -0.131 1.00 10.00 C ATOM 0 H PHE A 35 1.914 -2.459 2.891 1.00 10.00 H new ATOM 0 HA PHE A 35 0.793 -1.210 5.307 1.00 10.00 H new ATOM 0 HB2 PHE A 35 -0.732 0.112 4.116 1.00 10.00 H new ATOM 0 HB3 PHE A 35 0.765 0.340 3.234 1.00 10.00 H new ATOM 0 HD1 PHE A 35 -2.663 -0.567 2.985 1.00 10.00 H new ATOM 0 HD2 PHE A 35 1.130 -1.184 1.144 1.00 10.00 H new ATOM 0 HE1 PHE A 35 -3.783 -1.269 0.917 1.00 10.00 H new ATOM 0 HE2 PHE A 35 0.009 -1.891 -0.921 1.00 10.00 H new ATOM 0 HZ PHE A 35 -2.445 -1.932 -1.042 1.00 10.00 H new ATOM 577 N LEU A 36 -1.284 -2.694 5.167 1.00 10.00 N ATOM 578 CA LEU A 36 -2.263 -3.762 5.298 1.00 10.00 C ATOM 579 C LEU A 36 -3.646 -3.228 4.952 1.00 10.00 C ATOM 580 O LEU A 36 -4.011 -2.127 5.374 1.00 10.00 O ATOM 581 CB LEU A 36 -2.265 -4.310 6.728 1.00 10.00 C ATOM 582 CG LEU A 36 -0.959 -4.957 7.188 1.00 10.00 C ATOM 583 CD1 LEU A 36 -0.985 -5.190 8.691 1.00 10.00 C ATOM 584 CD2 LEU A 36 -0.729 -6.266 6.451 1.00 10.00 C ATOM 0 H LEU A 36 -1.437 -1.910 5.802 1.00 10.00 H new ATOM 0 HA LEU A 36 -2.000 -4.569 4.614 1.00 10.00 H new ATOM 0 HB2 LEU A 36 -2.506 -3.495 7.410 1.00 10.00 H new ATOM 0 HB3 LEU A 36 -3.065 -5.046 6.815 1.00 10.00 H new ATOM 0 HG LEU A 36 -0.136 -4.281 6.957 1.00 10.00 H new ATOM 0 HD11 LEU A 36 -0.048 -5.651 9.004 1.00 10.00 H new ATOM 0 HD12 LEU A 36 -1.110 -4.237 9.205 1.00 10.00 H new ATOM 0 HD13 LEU A 36 -1.816 -5.849 8.943 1.00 10.00 H new ATOM 0 HD21 LEU A 36 0.205 -6.715 6.789 1.00 10.00 H new ATOM 0 HD22 LEU A 36 -1.554 -6.948 6.655 1.00 10.00 H new ATOM 0 HD23 LEU A 36 -0.672 -6.075 5.379 1.00 10.00 H new ATOM 596 N TYR A 37 -4.413 -3.990 4.187 1.00 10.00 N ATOM 597 CA TYR A 37 -5.754 -3.566 3.813 1.00 10.00 C ATOM 598 C TYR A 37 -6.722 -4.735 3.881 1.00 10.00 C ATOM 599 O TYR A 37 -6.345 -5.873 3.619 1.00 10.00 O ATOM 600 CB TYR A 37 -5.762 -2.928 2.414 1.00 10.00 C ATOM 601 CG TYR A 37 -5.642 -3.902 1.251 1.00 10.00 C ATOM 602 CD1 TYR A 37 -6.777 -4.405 0.621 1.00 10.00 C ATOM 603 CD2 TYR A 37 -4.398 -4.294 0.767 1.00 10.00 C ATOM 604 CE1 TYR A 37 -6.673 -5.272 -0.452 1.00 10.00 C ATOM 605 CE2 TYR A 37 -4.289 -5.166 -0.304 1.00 10.00 C ATOM 606 CZ TYR A 37 -5.429 -5.650 -0.911 1.00 10.00 C ATOM 607 OH TYR A 37 -5.326 -6.504 -1.991 1.00 10.00 O ATOM 0 H TYR A 37 -4.133 -4.898 3.816 1.00 10.00 H new ATOM 0 HA TYR A 37 -6.081 -2.809 4.526 1.00 10.00 H new ATOM 0 HB2 TYR A 37 -6.686 -2.361 2.297 1.00 10.00 H new ATOM 0 HB3 TYR A 37 -4.940 -2.214 2.354 1.00 10.00 H new ATOM 0 HD1 TYR A 37 -7.755 -4.114 0.976 1.00 10.00 H new ATOM 0 HD2 TYR A 37 -3.502 -3.912 1.234 1.00 10.00 H new ATOM 0 HE1 TYR A 37 -7.564 -5.652 -0.929 1.00 10.00 H new ATOM 0 HE2 TYR A 37 -3.315 -5.466 -0.662 1.00 10.00 H new ATOM 0 HH TYR A 37 -4.508 -7.037 -1.909 1.00 10.00 H new ATOM 617 N ASP A 38 -7.964 -4.453 4.237 1.00 10.00 N ATOM 618 CA ASP A 38 -8.981 -5.493 4.341 1.00 10.00 C ATOM 619 C ASP A 38 -9.363 -5.979 2.950 1.00 10.00 C ATOM 620 O ASP A 38 -9.705 -5.182 2.080 1.00 10.00 O ATOM 621 CB ASP A 38 -10.218 -4.977 5.078 1.00 10.00 C ATOM 622 CG ASP A 38 -10.982 -6.091 5.765 1.00 10.00 C ATOM 623 OD1 ASP A 38 -10.912 -6.186 7.009 1.00 10.00 O ATOM 624 OD2 ASP A 38 -11.654 -6.879 5.070 1.00 10.00 O ATOM 0 H ASP A 38 -8.295 -3.514 4.459 1.00 10.00 H new ATOM 0 HA ASP A 38 -8.569 -6.324 4.913 1.00 10.00 H new ATOM 0 HB2 ASP A 38 -9.915 -4.236 5.818 1.00 10.00 H new ATOM 0 HB3 ASP A 38 -10.875 -4.471 4.371 1.00 10.00 H new ATOM 629 N LEU A 39 -9.294 -7.284 2.744 1.00 10.00 N ATOM 630 CA LEU A 39 -9.614 -7.862 1.451 1.00 10.00 C ATOM 631 C LEU A 39 -11.045 -8.372 1.434 1.00 10.00 C ATOM 632 O LEU A 39 -11.801 -8.099 0.501 1.00 10.00 O ATOM 633 CB LEU A 39 -8.639 -8.994 1.116 1.00 10.00 C ATOM 634 CG LEU A 39 -8.123 -9.008 -0.323 1.00 10.00 C ATOM 635 CD1 LEU A 39 -6.904 -9.907 -0.441 1.00 10.00 C ATOM 636 CD2 LEU A 39 -9.216 -9.461 -1.280 1.00 10.00 C ATOM 0 H LEU A 39 -9.020 -7.962 3.455 1.00 10.00 H new ATOM 0 HA LEU A 39 -9.517 -7.085 0.693 1.00 10.00 H new ATOM 0 HB2 LEU A 39 -7.785 -8.927 1.790 1.00 10.00 H new ATOM 0 HB3 LEU A 39 -9.130 -9.946 1.318 1.00 10.00 H new ATOM 0 HG LEU A 39 -7.831 -7.993 -0.594 1.00 10.00 H new ATOM 0 HD11 LEU A 39 -6.549 -9.906 -1.472 1.00 10.00 H new ATOM 0 HD12 LEU A 39 -6.115 -9.538 0.215 1.00 10.00 H new ATOM 0 HD13 LEU A 39 -7.172 -10.923 -0.151 1.00 10.00 H new ATOM 0 HD21 LEU A 39 -8.829 -9.464 -2.299 1.00 10.00 H new ATOM 0 HD22 LEU A 39 -9.541 -10.466 -1.012 1.00 10.00 H new ATOM 0 HD23 LEU A 39 -10.062 -8.777 -1.216 1.00 10.00 H new ATOM 648 N GLY A 40 -11.415 -9.113 2.467 1.00 10.00 N ATOM 649 CA GLY A 40 -12.757 -9.646 2.550 1.00 10.00 C ATOM 650 C GLY A 40 -12.764 -11.140 2.781 1.00 10.00 C ATOM 651 O GLY A 40 -11.782 -11.823 2.495 1.00 10.00 O ATOM 0 H GLY A 40 -10.808 -9.355 3.250 1.00 10.00 H new ATOM 0 HA2 GLY A 40 -13.293 -9.152 3.361 1.00 10.00 H new ATOM 0 HA3 GLY A 40 -13.294 -9.420 1.629 1.00 10.00 H new ATOM 655 N GLY A 41 -13.859 -11.650 3.327 1.00 10.00 N ATOM 656 CA GLY A 41 -13.964 -13.073 3.578 1.00 10.00 C ATOM 657 C GLY A 41 -13.326 -13.471 4.891 1.00 10.00 C ATOM 658 O GLY A 41 -13.282 -14.652 5.238 1.00 10.00 O ATOM 0 H GLY A 41 -14.676 -11.104 3.600 1.00 10.00 H new ATOM 0 HA2 GLY A 41 -15.015 -13.362 3.584 1.00 10.00 H new ATOM 0 HA3 GLY A 41 -13.488 -13.620 2.764 1.00 10.00 H new ATOM 662 N GLY A 42 -12.818 -12.484 5.616 1.00 10.00 N ATOM 663 CA GLY A 42 -12.185 -12.747 6.889 1.00 10.00 C ATOM 664 C GLY A 42 -10.689 -12.515 6.848 1.00 10.00 C ATOM 665 O GLY A 42 -10.057 -12.324 7.888 1.00 10.00 O ATOM 0 H GLY A 42 -12.834 -11.502 5.342 1.00 10.00 H new ATOM 0 HA2 GLY A 42 -12.629 -12.107 7.652 1.00 10.00 H new ATOM 0 HA3 GLY A 42 -12.382 -13.778 7.184 1.00 10.00 H new ATOM 669 N LYS A 43 -10.121 -12.518 5.649 1.00 10.00 N ATOM 670 CA LYS A 43 -8.689 -12.309 5.490 1.00 10.00 C ATOM 671 C LYS A 43 -8.401 -10.939 4.893 1.00 10.00 C ATOM 672 O LYS A 43 -9.250 -10.345 4.221 1.00 10.00 O ATOM 673 CB LYS A 43 -8.060 -13.418 4.632 1.00 10.00 C ATOM 674 CG LYS A 43 -8.556 -13.475 3.191 1.00 10.00 C ATOM 675 CD LYS A 43 -8.230 -14.814 2.545 1.00 10.00 C ATOM 676 CE LYS A 43 -6.834 -14.831 1.930 1.00 10.00 C ATOM 677 NZ LYS A 43 -5.758 -14.984 2.949 1.00 10.00 N ATOM 0 H LYS A 43 -10.628 -12.662 4.776 1.00 10.00 H new ATOM 0 HA LYS A 43 -8.236 -12.350 6.480 1.00 10.00 H new ATOM 0 HB2 LYS A 43 -6.979 -13.281 4.623 1.00 10.00 H new ATOM 0 HB3 LYS A 43 -8.256 -14.380 5.107 1.00 10.00 H new ATOM 0 HG2 LYS A 43 -9.633 -13.311 3.169 1.00 10.00 H new ATOM 0 HG3 LYS A 43 -8.099 -12.670 2.615 1.00 10.00 H new ATOM 0 HD2 LYS A 43 -8.306 -15.604 3.292 1.00 10.00 H new ATOM 0 HD3 LYS A 43 -8.968 -15.033 1.773 1.00 10.00 H new ATOM 0 HE2 LYS A 43 -6.768 -15.649 1.212 1.00 10.00 H new ATOM 0 HE3 LYS A 43 -6.675 -13.906 1.375 1.00 10.00 H new ATOM 0 HZ1 LYS A 43 -4.941 -15.466 2.522 1.00 10.00 H new ATOM 0 HZ2 LYS A 43 -5.467 -14.046 3.290 1.00 10.00 H new ATOM 0 HZ3 LYS A 43 -6.114 -15.548 3.747 1.00 10.00 H new ATOM 691 N ALA A 44 -7.207 -10.439 5.153 1.00 10.00 N ATOM 692 CA ALA A 44 -6.794 -9.144 4.654 1.00 10.00 C ATOM 693 C ALA A 44 -5.608 -9.287 3.713 1.00 10.00 C ATOM 694 O ALA A 44 -4.899 -10.294 3.737 1.00 10.00 O ATOM 695 CB ALA A 44 -6.446 -8.223 5.814 1.00 10.00 C ATOM 0 H ALA A 44 -6.501 -10.917 5.713 1.00 10.00 H new ATOM 0 HA ALA A 44 -7.621 -8.706 4.096 1.00 10.00 H new ATOM 0 HB1 ALA A 44 -6.137 -7.252 5.427 1.00 10.00 H new ATOM 0 HB2 ALA A 44 -7.320 -8.097 6.454 1.00 10.00 H new ATOM 0 HB3 ALA A 44 -5.632 -8.659 6.393 1.00 10.00 H new ATOM 701 N GLY A 45 -5.407 -8.280 2.880 1.00 10.00 N ATOM 702 CA GLY A 45 -4.308 -8.295 1.943 1.00 10.00 C ATOM 703 C GLY A 45 -3.240 -7.305 2.346 1.00 10.00 C ATOM 704 O GLY A 45 -3.398 -6.590 3.341 1.00 10.00 O ATOM 0 H GLY A 45 -5.992 -7.445 2.837 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -3.881 -9.297 1.894 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -4.673 -8.055 0.944 1.00 10.00 H new ATOM 708 N MET A 46 -2.167 -7.234 1.580 1.00 10.00 N ATOM 709 CA MET A 46 -1.083 -6.325 1.898 1.00 10.00 C ATOM 710 C MET A 46 -0.327 -5.919 0.644 1.00 10.00 C ATOM 711 O MET A 46 -0.610 -6.412 -0.449 1.00 10.00 O ATOM 712 CB MET A 46 -0.138 -6.978 2.909 1.00 10.00 C ATOM 713 CG MET A 46 0.520 -8.255 2.412 1.00 10.00 C ATOM 714 SD MET A 46 0.945 -9.374 3.763 1.00 10.00 S ATOM 715 CE MET A 46 1.848 -10.642 2.882 1.00 10.00 C ATOM 0 H MET A 46 -2.024 -7.792 0.738 1.00 10.00 H new ATOM 0 HA MET A 46 -1.505 -5.422 2.339 1.00 10.00 H new ATOM 0 HB2 MET A 46 0.639 -6.263 3.177 1.00 10.00 H new ATOM 0 HB3 MET A 46 -0.695 -7.200 3.819 1.00 10.00 H new ATOM 0 HG2 MET A 46 -0.152 -8.762 1.720 1.00 10.00 H new ATOM 0 HG3 MET A 46 1.422 -8.003 1.854 1.00 10.00 H new ATOM 0 HE1 MET A 46 1.301 -11.583 2.937 1.00 10.00 H new ATOM 0 HE2 MET A 46 1.962 -10.349 1.838 1.00 10.00 H new ATOM 0 HE3 MET A 46 2.832 -10.768 3.333 1.00 10.00 H new ATOM 725 N GLY A 47 0.624 -5.016 0.811 1.00 10.00 N ATOM 726 CA GLY A 47 1.421 -4.551 -0.302 1.00 10.00 C ATOM 727 C GLY A 47 2.660 -3.823 0.168 1.00 10.00 C ATOM 728 O GLY A 47 2.649 -3.186 1.225 1.00 10.00 O ATOM 0 H GLY A 47 0.860 -4.592 1.708 1.00 10.00 H new ATOM 0 HA2 GLY A 47 1.710 -5.399 -0.923 1.00 10.00 H new ATOM 0 HA3 GLY A 47 0.823 -3.887 -0.927 1.00 10.00 H new ATOM 732 N MET A 48 3.728 -3.914 -0.610 1.00 10.00 N ATOM 733 CA MET A 48 4.979 -3.259 -0.267 1.00 10.00 C ATOM 734 C MET A 48 5.571 -2.562 -1.487 1.00 10.00 C ATOM 735 O MET A 48 5.909 -3.207 -2.481 1.00 10.00 O ATOM 736 CB MET A 48 5.969 -4.276 0.304 1.00 10.00 C ATOM 737 CG MET A 48 7.156 -3.643 1.007 1.00 10.00 C ATOM 738 SD MET A 48 7.991 -4.778 2.136 1.00 10.00 S ATOM 739 CE MET A 48 8.440 -6.105 1.017 1.00 10.00 C ATOM 0 H MET A 48 3.752 -4.437 -1.485 1.00 10.00 H new ATOM 0 HA MET A 48 4.779 -2.504 0.493 1.00 10.00 H new ATOM 0 HB2 MET A 48 5.446 -4.925 1.006 1.00 10.00 H new ATOM 0 HB3 MET A 48 6.333 -4.910 -0.505 1.00 10.00 H new ATOM 0 HG2 MET A 48 7.868 -3.291 0.261 1.00 10.00 H new ATOM 0 HG3 MET A 48 6.818 -2.768 1.563 1.00 10.00 H new ATOM 0 HE1 MET A 48 9.408 -6.513 1.307 1.00 10.00 H new ATOM 0 HE2 MET A 48 7.686 -6.891 1.064 1.00 10.00 H new ATOM 0 HE3 MET A 48 8.499 -5.719 -0.001 1.00 10.00 H new ATOM 749 N VAL A 49 5.693 -1.244 -1.399 1.00 10.00 N ATOM 750 CA VAL A 49 6.226 -0.440 -2.490 1.00 10.00 C ATOM 751 C VAL A 49 7.438 0.362 -2.013 1.00 10.00 C ATOM 752 O VAL A 49 7.636 0.546 -0.812 1.00 10.00 O ATOM 753 CB VAL A 49 5.142 0.522 -3.045 1.00 10.00 C ATOM 754 CG1 VAL A 49 4.880 1.675 -2.081 1.00 10.00 C ATOM 755 CG2 VAL A 49 5.525 1.049 -4.421 1.00 10.00 C ATOM 0 H VAL A 49 5.427 -0.705 -0.575 1.00 10.00 H new ATOM 0 HA VAL A 49 6.535 -1.113 -3.290 1.00 10.00 H new ATOM 0 HB VAL A 49 4.219 -0.049 -3.147 1.00 10.00 H new ATOM 0 HG11 VAL A 49 4.116 2.331 -2.498 1.00 10.00 H new ATOM 0 HG12 VAL A 49 4.536 1.279 -1.125 1.00 10.00 H new ATOM 0 HG13 VAL A 49 5.800 2.239 -1.930 1.00 10.00 H new ATOM 0 HG21 VAL A 49 4.746 1.720 -4.783 1.00 10.00 H new ATOM 0 HG22 VAL A 49 6.468 1.591 -4.353 1.00 10.00 H new ATOM 0 HG23 VAL A 49 5.635 0.214 -5.113 1.00 10.00 H new ATOM 765 N SER A 50 8.253 0.815 -2.946 1.00 10.00 N ATOM 766 CA SER A 50 9.428 1.600 -2.619 1.00 10.00 C ATOM 767 C SER A 50 9.086 3.085 -2.637 1.00 10.00 C ATOM 768 O SER A 50 8.091 3.488 -3.241 1.00 10.00 O ATOM 769 CB SER A 50 10.543 1.307 -3.621 1.00 10.00 C ATOM 770 OG SER A 50 10.105 1.539 -4.948 1.00 10.00 O ATOM 0 H SER A 50 8.121 0.651 -3.944 1.00 10.00 H new ATOM 0 HA SER A 50 9.769 1.330 -1.619 1.00 10.00 H new ATOM 0 HB2 SER A 50 11.407 1.936 -3.404 1.00 10.00 H new ATOM 0 HB3 SER A 50 10.868 0.272 -3.517 1.00 10.00 H new ATOM 0 HG SER A 50 10.836 1.346 -5.572 1.00 10.00 H new ATOM 776 N GLU A 51 9.911 3.897 -1.988 1.00 10.00 N ATOM 777 CA GLU A 51 9.682 5.336 -1.941 1.00 10.00 C ATOM 778 C GLU A 51 9.888 5.963 -3.316 1.00 10.00 C ATOM 779 O GLU A 51 9.358 7.035 -3.608 1.00 10.00 O ATOM 780 CB GLU A 51 10.619 6.004 -0.937 1.00 10.00 C ATOM 781 CG GLU A 51 10.362 5.620 0.509 1.00 10.00 C ATOM 782 CD GLU A 51 11.003 6.590 1.480 1.00 10.00 C ATOM 783 OE1 GLU A 51 12.200 6.910 1.308 1.00 10.00 O ATOM 784 OE2 GLU A 51 10.312 7.043 2.419 1.00 10.00 O ATOM 0 H GLU A 51 10.743 3.585 -1.488 1.00 10.00 H new ATOM 0 HA GLU A 51 8.650 5.494 -1.626 1.00 10.00 H new ATOM 0 HB2 GLU A 51 11.647 5.748 -1.191 1.00 10.00 H new ATOM 0 HB3 GLU A 51 10.526 7.086 -1.035 1.00 10.00 H new ATOM 0 HG2 GLU A 51 9.287 5.585 0.689 1.00 10.00 H new ATOM 0 HG3 GLU A 51 10.748 4.617 0.691 1.00 10.00 H new ATOM 791 N LYS A 52 10.677 5.298 -4.151 1.00 10.00 N ATOM 792 CA LYS A 52 10.959 5.795 -5.488 1.00 10.00 C ATOM 793 C LYS A 52 9.810 5.485 -6.441 1.00 10.00 C ATOM 794 O LYS A 52 9.563 6.226 -7.392 1.00 10.00 O ATOM 795 CB LYS A 52 12.261 5.198 -6.017 1.00 10.00 C ATOM 796 CG LYS A 52 13.477 5.566 -5.182 1.00 10.00 C ATOM 797 CD LYS A 52 14.716 5.716 -6.046 1.00 10.00 C ATOM 798 CE LYS A 52 15.937 6.056 -5.208 1.00 10.00 C ATOM 799 NZ LYS A 52 17.095 6.466 -6.045 1.00 10.00 N ATOM 0 H LYS A 52 11.132 4.414 -3.924 1.00 10.00 H new ATOM 0 HA LYS A 52 11.069 6.878 -5.428 1.00 10.00 H new ATOM 0 HB2 LYS A 52 12.167 4.113 -6.050 1.00 10.00 H new ATOM 0 HB3 LYS A 52 12.417 5.536 -7.041 1.00 10.00 H new ATOM 0 HG2 LYS A 52 13.287 6.498 -4.651 1.00 10.00 H new ATOM 0 HG3 LYS A 52 13.648 4.798 -4.427 1.00 10.00 H new ATOM 0 HD2 LYS A 52 14.894 4.790 -6.593 1.00 10.00 H new ATOM 0 HD3 LYS A 52 14.552 6.498 -6.787 1.00 10.00 H new ATOM 0 HE2 LYS A 52 15.688 6.860 -4.516 1.00 10.00 H new ATOM 0 HE3 LYS A 52 16.214 5.191 -4.605 1.00 10.00 H new ATOM 0 HZ1 LYS A 52 17.905 6.688 -5.432 1.00 10.00 H new ATOM 0 HZ2 LYS A 52 17.351 5.690 -6.688 1.00 10.00 H new ATOM 0 HZ3 LYS A 52 16.841 7.307 -6.601 1.00 10.00 H new ATOM 813 N ASP A 53 9.109 4.391 -6.184 1.00 10.00 N ATOM 814 CA ASP A 53 7.983 3.997 -7.026 1.00 10.00 C ATOM 815 C ASP A 53 6.674 4.488 -6.431 1.00 10.00 C ATOM 816 O ASP A 53 5.588 4.110 -6.877 1.00 10.00 O ATOM 817 CB ASP A 53 7.943 2.480 -7.213 1.00 10.00 C ATOM 818 CG ASP A 53 8.754 2.029 -8.411 1.00 10.00 C ATOM 819 OD1 ASP A 53 8.578 2.605 -9.509 1.00 10.00 O ATOM 820 OD2 ASP A 53 9.572 1.096 -8.267 1.00 10.00 O ATOM 0 H ASP A 53 9.296 3.761 -5.404 1.00 10.00 H new ATOM 0 HA ASP A 53 8.118 4.459 -8.004 1.00 10.00 H new ATOM 0 HB2 ASP A 53 8.325 1.995 -6.315 1.00 10.00 H new ATOM 0 HB3 ASP A 53 6.909 2.158 -7.334 1.00 10.00 H new ATOM 825 N ALA A 54 6.781 5.334 -5.420 1.00 10.00 N ATOM 826 CA ALA A 54 5.614 5.888 -4.766 1.00 10.00 C ATOM 827 C ALA A 54 5.525 7.386 -5.022 1.00 10.00 C ATOM 828 O ALA A 54 6.400 8.145 -4.601 1.00 10.00 O ATOM 829 CB ALA A 54 5.656 5.612 -3.271 1.00 10.00 C ATOM 0 H ALA A 54 7.670 5.652 -5.035 1.00 10.00 H new ATOM 0 HA ALA A 54 4.728 5.408 -5.181 1.00 10.00 H new ATOM 0 HB1 ALA A 54 4.771 6.036 -2.798 1.00 10.00 H new ATOM 0 HB2 ALA A 54 5.678 4.536 -3.100 1.00 10.00 H new ATOM 0 HB3 ALA A 54 6.549 6.066 -2.842 1.00 10.00 H new ATOM 835 N PRO A 55 4.486 7.831 -5.747 1.00 10.00 N ATOM 836 CA PRO A 55 4.283 9.251 -6.040 1.00 10.00 C ATOM 837 C PRO A 55 4.107 10.053 -4.756 1.00 10.00 C ATOM 838 O PRO A 55 3.377 9.634 -3.854 1.00 10.00 O ATOM 839 CB PRO A 55 2.997 9.276 -6.876 1.00 10.00 C ATOM 840 CG PRO A 55 2.825 7.886 -7.382 1.00 10.00 C ATOM 841 CD PRO A 55 3.434 6.989 -6.343 1.00 10.00 C ATOM 0 HA PRO A 55 5.132 9.696 -6.558 1.00 10.00 H new ATOM 0 HB2 PRO A 55 2.143 9.583 -6.273 1.00 10.00 H new ATOM 0 HB3 PRO A 55 3.078 9.986 -7.699 1.00 10.00 H new ATOM 0 HG2 PRO A 55 1.771 7.652 -7.530 1.00 10.00 H new ATOM 0 HG3 PRO A 55 3.318 7.758 -8.346 1.00 10.00 H new ATOM 0 HD2 PRO A 55 2.700 6.676 -5.601 1.00 10.00 H new ATOM 0 HD3 PRO A 55 3.846 6.082 -6.785 1.00 10.00 H new ATOM 849 N LYS A 56 4.771 11.199 -4.674 1.00 10.00 N ATOM 850 CA LYS A 56 4.699 12.053 -3.490 1.00 10.00 C ATOM 851 C LYS A 56 3.259 12.433 -3.165 1.00 10.00 C ATOM 852 O LYS A 56 2.901 12.602 -1.997 1.00 10.00 O ATOM 853 CB LYS A 56 5.547 13.307 -3.693 1.00 10.00 C ATOM 854 CG LYS A 56 7.038 13.027 -3.715 1.00 10.00 C ATOM 855 CD LYS A 56 7.830 14.234 -4.181 1.00 10.00 C ATOM 856 CE LYS A 56 9.304 13.902 -4.327 1.00 10.00 C ATOM 857 NZ LYS A 56 10.122 15.108 -4.622 1.00 10.00 N ATOM 0 H LYS A 56 5.369 11.562 -5.416 1.00 10.00 H new ATOM 0 HA LYS A 56 5.093 11.490 -2.644 1.00 10.00 H new ATOM 0 HB2 LYS A 56 5.260 13.783 -4.631 1.00 10.00 H new ATOM 0 HB3 LYS A 56 5.330 14.017 -2.895 1.00 10.00 H new ATOM 0 HG2 LYS A 56 7.369 12.738 -2.717 1.00 10.00 H new ATOM 0 HG3 LYS A 56 7.240 12.183 -4.374 1.00 10.00 H new ATOM 0 HD2 LYS A 56 7.437 14.583 -5.136 1.00 10.00 H new ATOM 0 HD3 LYS A 56 7.707 15.050 -3.468 1.00 10.00 H new ATOM 0 HE2 LYS A 56 9.663 13.437 -3.409 1.00 10.00 H new ATOM 0 HE3 LYS A 56 9.433 13.172 -5.126 1.00 10.00 H new ATOM 0 HZ1 LYS A 56 11.121 14.836 -4.714 1.00 10.00 H new ATOM 0 HZ2 LYS A 56 9.797 15.539 -5.511 1.00 10.00 H new ATOM 0 HZ3 LYS A 56 10.020 15.795 -3.848 1.00 10.00 H new ATOM 871 N GLU A 57 2.440 12.550 -4.201 1.00 10.00 N ATOM 872 CA GLU A 57 1.036 12.892 -4.045 1.00 10.00 C ATOM 873 C GLU A 57 0.313 11.812 -3.244 1.00 10.00 C ATOM 874 O GLU A 57 -0.512 12.108 -2.377 1.00 10.00 O ATOM 875 CB GLU A 57 0.396 13.062 -5.423 1.00 10.00 C ATOM 876 CG GLU A 57 -0.944 13.770 -5.397 1.00 10.00 C ATOM 877 CD GLU A 57 -1.211 14.510 -6.685 1.00 10.00 C ATOM 878 OE1 GLU A 57 -1.071 13.897 -7.765 1.00 10.00 O ATOM 879 OE2 GLU A 57 -1.556 15.708 -6.626 1.00 10.00 O ATOM 0 H GLU A 57 2.730 12.411 -5.169 1.00 10.00 H new ATOM 0 HA GLU A 57 0.953 13.831 -3.498 1.00 10.00 H new ATOM 0 HB2 GLU A 57 1.079 13.621 -6.063 1.00 10.00 H new ATOM 0 HB3 GLU A 57 0.267 12.079 -5.876 1.00 10.00 H new ATOM 0 HG2 GLU A 57 -1.737 13.042 -5.225 1.00 10.00 H new ATOM 0 HG3 GLU A 57 -0.969 14.471 -4.563 1.00 10.00 H new ATOM 886 N LEU A 58 0.642 10.556 -3.524 1.00 10.00 N ATOM 887 CA LEU A 58 0.033 9.436 -2.820 1.00 10.00 C ATOM 888 C LEU A 58 0.765 9.178 -1.511 1.00 10.00 C ATOM 889 O LEU A 58 0.203 8.615 -0.575 1.00 10.00 O ATOM 890 CB LEU A 58 0.042 8.176 -3.689 1.00 10.00 C ATOM 891 CG LEU A 58 -0.851 8.240 -4.931 1.00 10.00 C ATOM 892 CD1 LEU A 58 -0.831 6.914 -5.676 1.00 10.00 C ATOM 893 CD2 LEU A 58 -2.275 8.617 -4.552 1.00 10.00 C ATOM 0 H LEU A 58 1.326 10.289 -4.232 1.00 10.00 H new ATOM 0 HA LEU A 58 -1.004 9.692 -2.601 1.00 10.00 H new ATOM 0 HB2 LEU A 58 1.066 7.979 -4.006 1.00 10.00 H new ATOM 0 HB3 LEU A 58 -0.271 7.329 -3.078 1.00 10.00 H new ATOM 0 HG LEU A 58 -0.457 9.012 -5.592 1.00 10.00 H new ATOM 0 HD11 LEU A 58 -1.472 6.981 -6.555 1.00 10.00 H new ATOM 0 HD12 LEU A 58 0.189 6.687 -5.987 1.00 10.00 H new ATOM 0 HD13 LEU A 58 -1.195 6.123 -5.021 1.00 10.00 H new ATOM 0 HD21 LEU A 58 -2.892 8.657 -5.450 1.00 10.00 H new ATOM 0 HD22 LEU A 58 -2.679 7.872 -3.867 1.00 10.00 H new ATOM 0 HD23 LEU A 58 -2.276 9.593 -4.068 1.00 10.00 H new ATOM 905 N LEU A 59 2.025 9.594 -1.463 1.00 10.00 N ATOM 906 CA LEU A 59 2.847 9.438 -0.273 1.00 10.00 C ATOM 907 C LEU A 59 2.232 10.213 0.885 1.00 10.00 C ATOM 908 O LEU A 59 2.259 9.772 2.030 1.00 10.00 O ATOM 909 CB LEU A 59 4.270 9.936 -0.545 1.00 10.00 C ATOM 910 CG LEU A 59 5.337 9.409 0.414 1.00 10.00 C ATOM 911 CD1 LEU A 59 5.650 7.954 0.110 1.00 10.00 C ATOM 912 CD2 LEU A 59 6.593 10.262 0.328 1.00 10.00 C ATOM 0 H LEU A 59 2.502 10.046 -2.243 1.00 10.00 H new ATOM 0 HA LEU A 59 2.892 8.381 -0.009 1.00 10.00 H new ATOM 0 HB2 LEU A 59 4.548 9.657 -1.561 1.00 10.00 H new ATOM 0 HB3 LEU A 59 4.271 11.025 -0.502 1.00 10.00 H new ATOM 0 HG LEU A 59 4.953 9.469 1.432 1.00 10.00 H new ATOM 0 HD11 LEU A 59 6.412 7.594 0.801 1.00 10.00 H new ATOM 0 HD12 LEU A 59 4.746 7.356 0.222 1.00 10.00 H new ATOM 0 HD13 LEU A 59 6.018 7.867 -0.912 1.00 10.00 H new ATOM 0 HD21 LEU A 59 7.344 9.875 1.017 1.00 10.00 H new ATOM 0 HD22 LEU A 59 6.984 10.233 -0.689 1.00 10.00 H new ATOM 0 HD23 LEU A 59 6.353 11.291 0.595 1.00 10.00 H new ATOM 924 N GLN A 60 1.656 11.369 0.564 1.00 10.00 N ATOM 925 CA GLN A 60 1.011 12.203 1.567 1.00 10.00 C ATOM 926 C GLN A 60 -0.200 11.476 2.143 1.00 10.00 C ATOM 927 O GLN A 60 -0.503 11.581 3.330 1.00 10.00 O ATOM 928 CB GLN A 60 0.589 13.542 0.955 1.00 10.00 C ATOM 929 CG GLN A 60 0.232 14.598 1.991 1.00 10.00 C ATOM 930 CD GLN A 60 1.415 15.005 2.855 1.00 10.00 C ATOM 931 OE1 GLN A 60 2.602 15.033 2.271 1.00 10.00 O flip ATOM 932 NE2 GLN A 60 1.260 15.303 4.039 1.00 10.00 N flip ATOM 0 H GLN A 60 1.624 11.747 -0.383 1.00 10.00 H new ATOM 0 HA GLN A 60 1.719 12.401 2.371 1.00 10.00 H new ATOM 0 HB2 GLN A 60 1.399 13.918 0.329 1.00 10.00 H new ATOM 0 HB3 GLN A 60 -0.269 13.380 0.303 1.00 10.00 H new ATOM 0 HG2 GLN A 60 -0.161 15.479 1.483 1.00 10.00 H new ATOM 0 HG3 GLN A 60 -0.564 14.217 2.631 1.00 10.00 H new ATOM 0 HE21 GLN A 60 0.330 15.270 4.456 1.00 10.00 H new ATOM 0 HE22 GLN A 60 2.062 15.583 4.604 1.00 10.00 H new ATOM 941 N MET A 61 -0.873 10.713 1.288 1.00 10.00 N ATOM 942 CA MET A 61 -2.038 9.943 1.704 1.00 10.00 C ATOM 943 C MET A 61 -1.594 8.781 2.581 1.00 10.00 C ATOM 944 O MET A 61 -2.293 8.390 3.515 1.00 10.00 O ATOM 945 CB MET A 61 -2.806 9.420 0.491 1.00 10.00 C ATOM 946 CG MET A 61 -3.474 10.512 -0.325 1.00 10.00 C ATOM 947 SD MET A 61 -4.291 9.875 -1.802 1.00 10.00 S ATOM 948 CE MET A 61 -5.606 8.903 -1.071 1.00 10.00 C ATOM 0 H MET A 61 -0.631 10.612 0.302 1.00 10.00 H new ATOM 0 HA MET A 61 -2.702 10.594 2.272 1.00 10.00 H new ATOM 0 HB2 MET A 61 -2.121 8.867 -0.151 1.00 10.00 H new ATOM 0 HB3 MET A 61 -3.566 8.715 0.829 1.00 10.00 H new ATOM 0 HG2 MET A 61 -4.206 11.028 0.296 1.00 10.00 H new ATOM 0 HG3 MET A 61 -2.727 11.250 -0.617 1.00 10.00 H new ATOM 0 HE1 MET A 61 -6.243 8.502 -1.859 1.00 10.00 H new ATOM 0 HE2 MET A 61 -5.176 8.081 -0.499 1.00 10.00 H new ATOM 0 HE3 MET A 61 -6.200 9.534 -0.410 1.00 10.00 H new ATOM 958 N LEU A 62 -0.426 8.233 2.267 1.00 10.00 N ATOM 959 CA LEU A 62 0.138 7.132 3.034 1.00 10.00 C ATOM 960 C LEU A 62 0.510 7.614 4.427 1.00 10.00 C ATOM 961 O LEU A 62 0.346 6.892 5.406 1.00 10.00 O ATOM 962 CB LEU A 62 1.362 6.546 2.326 1.00 10.00 C ATOM 963 CG LEU A 62 1.058 5.755 1.052 1.00 10.00 C ATOM 964 CD1 LEU A 62 2.348 5.363 0.348 1.00 10.00 C ATOM 965 CD2 LEU A 62 0.233 4.519 1.377 1.00 10.00 C ATOM 0 H LEU A 62 0.150 8.536 1.482 1.00 10.00 H new ATOM 0 HA LEU A 62 -0.611 6.345 3.117 1.00 10.00 H new ATOM 0 HB2 LEU A 62 2.042 7.360 2.076 1.00 10.00 H new ATOM 0 HB3 LEU A 62 1.888 5.894 3.023 1.00 10.00 H new ATOM 0 HG LEU A 62 0.479 6.390 0.382 1.00 10.00 H new ATOM 0 HD11 LEU A 62 2.113 4.801 -0.556 1.00 10.00 H new ATOM 0 HD12 LEU A 62 2.905 6.261 0.082 1.00 10.00 H new ATOM 0 HD13 LEU A 62 2.952 4.745 1.013 1.00 10.00 H new ATOM 0 HD21 LEU A 62 0.026 3.968 0.459 1.00 10.00 H new ATOM 0 HD22 LEU A 62 0.788 3.882 2.065 1.00 10.00 H new ATOM 0 HD23 LEU A 62 -0.707 4.820 1.839 1.00 10.00 H new ATOM 977 N GLU A 63 0.998 8.845 4.505 1.00 10.00 N ATOM 978 CA GLU A 63 1.368 9.442 5.780 1.00 10.00 C ATOM 979 C GLU A 63 0.130 9.634 6.646 1.00 10.00 C ATOM 980 O GLU A 63 0.189 9.522 7.870 1.00 10.00 O ATOM 981 CB GLU A 63 2.072 10.781 5.555 1.00 10.00 C ATOM 982 CG GLU A 63 3.479 10.636 5.000 1.00 10.00 C ATOM 983 CD GLU A 63 4.363 9.777 5.880 1.00 10.00 C ATOM 984 OE1 GLU A 63 4.794 10.261 6.943 1.00 10.00 O ATOM 985 OE2 GLU A 63 4.628 8.614 5.516 1.00 10.00 O ATOM 0 H GLU A 63 1.147 9.450 3.698 1.00 10.00 H new ATOM 0 HA GLU A 63 2.056 8.772 6.295 1.00 10.00 H new ATOM 0 HB2 GLU A 63 1.479 11.384 4.868 1.00 10.00 H new ATOM 0 HB3 GLU A 63 2.116 11.323 6.499 1.00 10.00 H new ATOM 0 HG2 GLU A 63 3.430 10.199 4.003 1.00 10.00 H new ATOM 0 HG3 GLU A 63 3.928 11.624 4.893 1.00 10.00 H new ATOM 992 N LYS A 64 -0.996 9.907 5.998 1.00 10.00 N ATOM 993 CA LYS A 64 -2.259 10.092 6.705 1.00 10.00 C ATOM 994 C LYS A 64 -2.834 8.743 7.123 1.00 10.00 C ATOM 995 O LYS A 64 -3.749 8.671 7.941 1.00 10.00 O ATOM 996 CB LYS A 64 -3.267 10.833 5.825 1.00 10.00 C ATOM 997 CG LYS A 64 -2.876 12.272 5.526 1.00 10.00 C ATOM 998 CD LYS A 64 -3.905 12.955 4.638 1.00 10.00 C ATOM 999 CE LYS A 64 -3.532 14.403 4.352 1.00 10.00 C ATOM 1000 NZ LYS A 64 -4.496 15.050 3.419 1.00 10.00 N ATOM 0 H LYS A 64 -1.061 10.005 4.985 1.00 10.00 H new ATOM 0 HA LYS A 64 -2.066 10.690 7.596 1.00 10.00 H new ATOM 0 HB2 LYS A 64 -3.380 10.294 4.885 1.00 10.00 H new ATOM 0 HB3 LYS A 64 -4.240 10.825 6.316 1.00 10.00 H new ATOM 0 HG2 LYS A 64 -2.776 12.825 6.460 1.00 10.00 H new ATOM 0 HG3 LYS A 64 -1.902 12.292 5.038 1.00 10.00 H new ATOM 0 HD2 LYS A 64 -3.993 12.410 3.698 1.00 10.00 H new ATOM 0 HD3 LYS A 64 -4.882 12.920 5.120 1.00 10.00 H new ATOM 0 HE2 LYS A 64 -3.501 14.962 5.287 1.00 10.00 H new ATOM 0 HE3 LYS A 64 -2.530 14.442 3.924 1.00 10.00 H new ATOM 0 HZ1 LYS A 64 -4.207 16.035 3.249 1.00 10.00 H new ATOM 0 HZ2 LYS A 64 -4.507 14.532 2.517 1.00 10.00 H new ATOM 0 HZ3 LYS A 64 -5.448 15.036 3.838 1.00 10.00 H new ATOM 1014 N GLN A 65 -2.293 7.680 6.545 1.00 10.00 N ATOM 1015 CA GLN A 65 -2.732 6.323 6.844 1.00 10.00 C ATOM 1016 C GLN A 65 -1.697 5.602 7.702 1.00 10.00 C ATOM 1017 O GLN A 65 -1.857 4.425 8.028 1.00 10.00 O ATOM 1018 CB GLN A 65 -2.951 5.541 5.547 1.00 10.00 C ATOM 1019 CG GLN A 65 -4.241 5.889 4.820 1.00 10.00 C ATOM 1020 CD GLN A 65 -5.478 5.345 5.510 1.00 10.00 C ATOM 1021 OE1 GLN A 65 -5.339 4.214 6.187 1.00 10.00 O flip ATOM 1022 NE2 GLN A 65 -6.551 5.938 5.434 1.00 10.00 N flip ATOM 0 H GLN A 65 -1.541 7.732 5.858 1.00 10.00 H new ATOM 0 HA GLN A 65 -3.671 6.382 7.394 1.00 10.00 H new ATOM 0 HB2 GLN A 65 -2.110 5.724 4.879 1.00 10.00 H new ATOM 0 HB3 GLN A 65 -2.951 4.475 5.774 1.00 10.00 H new ATOM 0 HG2 GLN A 65 -4.324 6.973 4.739 1.00 10.00 H new ATOM 0 HG3 GLN A 65 -4.196 5.496 3.804 1.00 10.00 H new ATOM 0 HE21 GLN A 65 -6.617 6.806 4.903 1.00 10.00 H new ATOM 0 HE22 GLN A 65 -7.376 5.562 5.902 1.00 10.00 H new ATOM 1031 N LYS A 66 -0.638 6.315 8.056 1.00 10.00 N ATOM 1032 CA LYS A 66 0.433 5.754 8.863 1.00 10.00 C ATOM 1033 C LYS A 66 -0.017 5.613 10.310 1.00 10.00 C ATOM 1034 O LYS A 66 -0.590 6.542 10.883 1.00 10.00 O ATOM 1035 CB LYS A 66 1.681 6.637 8.775 1.00 10.00 C ATOM 1036 CG LYS A 66 2.982 5.887 9.014 1.00 10.00 C ATOM 1037 CD LYS A 66 4.183 6.687 8.534 1.00 10.00 C ATOM 1038 CE LYS A 66 4.408 7.928 9.383 1.00 10.00 C ATOM 1039 NZ LYS A 66 5.567 8.720 8.904 1.00 10.00 N ATOM 0 H LYS A 66 -0.498 7.291 7.794 1.00 10.00 H new ATOM 0 HA LYS A 66 0.680 4.765 8.478 1.00 10.00 H new ATOM 0 HB2 LYS A 66 1.717 7.102 7.790 1.00 10.00 H new ATOM 0 HB3 LYS A 66 1.597 7.442 9.505 1.00 10.00 H new ATOM 0 HG2 LYS A 66 3.089 5.671 10.077 1.00 10.00 H new ATOM 0 HG3 LYS A 66 2.951 4.929 8.496 1.00 10.00 H new ATOM 0 HD2 LYS A 66 5.074 6.059 8.564 1.00 10.00 H new ATOM 0 HD3 LYS A 66 4.034 6.979 7.495 1.00 10.00 H new ATOM 0 HE2 LYS A 66 3.512 8.548 9.365 1.00 10.00 H new ATOM 0 HE3 LYS A 66 4.572 7.634 10.420 1.00 10.00 H new ATOM 0 HZ1 LYS A 66 6.036 9.174 9.714 1.00 10.00 H new ATOM 0 HZ2 LYS A 66 6.241 8.092 8.422 1.00 10.00 H new ATOM 0 HZ3 LYS A 66 5.238 9.450 8.240 1.00 10.00 H new ATOM 1053 N LYS A 67 0.231 4.445 10.887 1.00 10.00 N ATOM 1054 CA LYS A 67 -0.155 4.170 12.267 1.00 10.00 C ATOM 1055 C LYS A 67 0.949 3.405 12.985 1.00 10.00 C ATOM 1056 O LYS A 67 1.788 2.763 12.341 1.00 10.00 O ATOM 1057 CB LYS A 67 -1.461 3.365 12.304 1.00 10.00 C ATOM 1058 CG LYS A 67 -2.677 4.154 11.840 1.00 10.00 C ATOM 1059 CD LYS A 67 -3.895 3.262 11.643 1.00 10.00 C ATOM 1060 CE LYS A 67 -5.086 4.062 11.135 1.00 10.00 C ATOM 1061 NZ LYS A 67 -6.230 3.193 10.760 1.00 10.00 N ATOM 0 H LYS A 67 0.700 3.669 10.420 1.00 10.00 H new ATOM 0 HA LYS A 67 -0.312 5.120 12.777 1.00 10.00 H new ATOM 0 HB2 LYS A 67 -1.351 2.481 11.676 1.00 10.00 H new ATOM 0 HB3 LYS A 67 -1.633 3.014 13.322 1.00 10.00 H new ATOM 0 HG2 LYS A 67 -2.909 4.927 12.573 1.00 10.00 H new ATOM 0 HG3 LYS A 67 -2.444 4.662 10.904 1.00 10.00 H new ATOM 0 HD2 LYS A 67 -3.657 2.469 10.934 1.00 10.00 H new ATOM 0 HD3 LYS A 67 -4.153 2.780 12.586 1.00 10.00 H new ATOM 0 HE2 LYS A 67 -5.404 4.765 11.905 1.00 10.00 H new ATOM 0 HE3 LYS A 67 -4.782 4.652 10.270 1.00 10.00 H new ATOM 0 HZ1 LYS A 67 -6.892 3.729 10.164 1.00 10.00 H new ATOM 0 HZ2 LYS A 67 -5.881 2.367 10.233 1.00 10.00 H new ATOM 0 HZ3 LYS A 67 -6.720 2.873 11.620 1.00 10.00 H new ATOM 1105 N GLU B 6 -1.643 -12.511 -1.087 1.00 10.00 N ATOM 1106 CA GLU B 6 -0.623 -11.584 -1.561 1.00 10.00 C ATOM 1107 C GLU B 6 0.736 -11.986 -0.988 1.00 10.00 C ATOM 1108 O GLU B 6 0.910 -12.042 0.230 1.00 10.00 O ATOM 1109 CB GLU B 6 -0.969 -10.150 -1.137 1.00 10.00 C ATOM 1110 CG GLU B 6 -2.462 -9.848 -1.128 1.00 10.00 C ATOM 1111 CD GLU B 6 -3.019 -9.492 -2.493 1.00 10.00 C ATOM 1112 OE1 GLU B 6 -3.453 -8.335 -2.676 1.00 10.00 O ATOM 1113 OE2 GLU B 6 -3.039 -10.362 -3.386 1.00 10.00 O ATOM 0 HA GLU B 6 -0.583 -11.623 -2.650 1.00 10.00 H new ATOM 0 HB2 GLU B 6 -0.567 -9.970 -0.140 1.00 10.00 H new ATOM 0 HB3 GLU B 6 -0.472 -9.453 -1.812 1.00 10.00 H new ATOM 0 HG2 GLU B 6 -2.997 -10.716 -0.742 1.00 10.00 H new ATOM 0 HG3 GLU B 6 -2.653 -9.024 -0.441 1.00 10.00 H new ATOM 1120 N GLU B 7 1.687 -12.291 -1.860 1.00 10.00 N ATOM 1121 CA GLU B 7 3.017 -12.702 -1.423 1.00 10.00 C ATOM 1122 C GLU B 7 4.058 -11.628 -1.716 1.00 10.00 C ATOM 1123 O GLU B 7 4.020 -10.988 -2.769 1.00 10.00 O ATOM 1124 CB GLU B 7 3.415 -14.009 -2.107 1.00 10.00 C ATOM 1125 CG GLU B 7 2.570 -15.200 -1.683 1.00 10.00 C ATOM 1126 CD GLU B 7 2.585 -15.413 -0.183 1.00 10.00 C ATOM 1127 OE1 GLU B 7 1.496 -15.500 0.425 1.00 10.00 O ATOM 1128 OE2 GLU B 7 3.683 -15.482 0.399 1.00 10.00 O ATOM 0 H GLU B 7 1.564 -12.262 -2.872 1.00 10.00 H new ATOM 0 HA GLU B 7 2.980 -12.852 -0.344 1.00 10.00 H new ATOM 0 HB2 GLU B 7 3.335 -13.883 -3.187 1.00 10.00 H new ATOM 0 HB3 GLU B 7 4.462 -14.220 -1.888 1.00 10.00 H new ATOM 0 HG2 GLU B 7 1.543 -15.050 -2.016 1.00 10.00 H new ATOM 0 HG3 GLU B 7 2.938 -16.098 -2.179 1.00 10.00 H new ATOM 1135 N GLU B 8 4.988 -11.444 -0.781 1.00 10.00 N ATOM 1136 CA GLU B 8 6.051 -10.453 -0.922 1.00 10.00 C ATOM 1137 C GLU B 8 7.393 -11.074 -0.568 1.00 10.00 C ATOM 1138 O GLU B 8 7.447 -12.196 -0.063 1.00 10.00 O ATOM 1139 CB GLU B 8 5.793 -9.253 -0.009 1.00 10.00 C ATOM 1140 CG GLU B 8 4.364 -8.755 -0.050 1.00 10.00 C ATOM 1141 CD GLU B 8 4.027 -7.845 1.110 1.00 10.00 C ATOM 1142 OE1 GLU B 8 3.228 -6.908 0.915 1.00 10.00 O ATOM 1143 OE2 GLU B 8 4.553 -8.074 2.220 1.00 10.00 O ATOM 0 H GLU B 8 5.026 -11.974 0.090 1.00 10.00 H new ATOM 0 HA GLU B 8 6.067 -10.114 -1.958 1.00 10.00 H new ATOM 0 HB2 GLU B 8 6.044 -9.526 1.016 1.00 10.00 H new ATOM 0 HB3 GLU B 8 6.460 -8.440 -0.295 1.00 10.00 H new ATOM 0 HG2 GLU B 8 4.197 -8.221 -0.985 1.00 10.00 H new ATOM 0 HG3 GLU B 8 3.686 -9.609 -0.045 1.00 10.00 H new ATOM 1150 N GLY B 9 8.471 -10.347 -0.827 1.00 10.00 N ATOM 1151 CA GLY B 9 9.785 -10.860 -0.510 1.00 10.00 C ATOM 1152 C GLY B 9 10.897 -9.966 -1.010 1.00 10.00 C ATOM 1153 O GLY B 9 11.879 -10.443 -1.579 1.00 10.00 O ATOM 0 H GLY B 9 8.458 -9.418 -1.248 1.00 10.00 H new ATOM 0 HA2 GLY B 9 9.875 -10.975 0.570 1.00 10.00 H new ATOM 0 HA3 GLY B 9 9.898 -11.852 -0.947 1.00 10.00 H new ATOM 1157 N GLU B 10 10.742 -8.666 -0.808 1.00 10.00 N ATOM 1158 CA GLU B 10 11.745 -7.701 -1.229 1.00 10.00 C ATOM 1159 C GLU B 10 12.983 -7.807 -0.354 1.00 10.00 C ATOM 1160 O GLU B 10 12.883 -8.016 0.857 1.00 10.00 O ATOM 1161 CB GLU B 10 11.188 -6.279 -1.160 1.00 10.00 C ATOM 1162 CG GLU B 10 10.586 -5.783 -2.465 1.00 10.00 C ATOM 1163 CD GLU B 10 9.400 -6.604 -2.941 1.00 10.00 C ATOM 1164 OE1 GLU B 10 9.131 -6.592 -4.161 1.00 10.00 O ATOM 1165 OE2 GLU B 10 8.730 -7.253 -2.106 1.00 10.00 O ATOM 0 H GLU B 10 9.927 -8.254 -0.353 1.00 10.00 H new ATOM 0 HA GLU B 10 12.016 -7.924 -2.261 1.00 10.00 H new ATOM 0 HB2 GLU B 10 10.426 -6.236 -0.382 1.00 10.00 H new ATOM 0 HB3 GLU B 10 11.988 -5.601 -0.861 1.00 10.00 H new ATOM 0 HG2 GLU B 10 10.272 -4.747 -2.339 1.00 10.00 H new ATOM 0 HG3 GLU B 10 11.356 -5.792 -3.237 1.00 10.00 H new ATOM 1172 N GLU B 11 14.147 -7.664 -0.967 1.00 10.00 N ATOM 1173 CA GLU B 11 15.403 -7.743 -0.240 1.00 10.00 C ATOM 1174 C GLU B 11 15.841 -6.351 0.199 1.00 10.00 C ATOM 1175 O GLU B 11 16.194 -5.511 -0.628 1.00 10.00 O ATOM 1176 CB GLU B 11 16.479 -8.395 -1.111 1.00 10.00 C ATOM 1177 CG GLU B 11 17.398 -9.328 -0.343 1.00 10.00 C ATOM 1178 CD GLU B 11 16.650 -10.476 0.298 1.00 10.00 C ATOM 1179 OE1 GLU B 11 16.220 -10.334 1.461 1.00 10.00 O ATOM 1180 OE2 GLU B 11 16.481 -11.525 -0.357 1.00 10.00 O ATOM 0 H GLU B 11 14.248 -7.492 -1.967 1.00 10.00 H new ATOM 0 HA GLU B 11 15.259 -8.359 0.648 1.00 10.00 H new ATOM 0 HB2 GLU B 11 15.996 -8.953 -1.914 1.00 10.00 H new ATOM 0 HB3 GLU B 11 17.077 -7.614 -1.581 1.00 10.00 H new ATOM 0 HG2 GLU B 11 18.156 -9.724 -1.019 1.00 10.00 H new ATOM 0 HG3 GLU B 11 17.922 -8.764 0.428 1.00 10.00 H new ATOM 1187 N TYR B 12 15.806 -6.107 1.498 1.00 10.00 N ATOM 1188 CA TYR B 12 16.189 -4.810 2.036 1.00 10.00 C ATOM 1189 C TYR B 12 17.706 -4.648 2.023 1.00 10.00 C ATOM 1190 O TYR B 12 18.412 -5.323 2.778 1.00 10.00 O ATOM 1191 CB TYR B 12 15.660 -4.647 3.462 1.00 10.00 C ATOM 1192 CG TYR B 12 15.349 -3.213 3.831 1.00 10.00 C ATOM 1193 CD1 TYR B 12 16.363 -2.319 4.158 1.00 10.00 C ATOM 1194 CD2 TYR B 12 14.040 -2.750 3.842 1.00 10.00 C ATOM 1195 CE1 TYR B 12 16.079 -1.009 4.489 1.00 10.00 C ATOM 1196 CE2 TYR B 12 13.748 -1.441 4.173 1.00 10.00 C ATOM 1197 CZ TYR B 12 14.771 -0.575 4.492 1.00 10.00 C ATOM 1198 OH TYR B 12 14.484 0.730 4.821 1.00 10.00 O ATOM 0 H TYR B 12 15.517 -6.788 2.200 1.00 10.00 H new ATOM 0 HA TYR B 12 15.750 -4.037 1.405 1.00 10.00 H new ATOM 0 HB2 TYR B 12 14.757 -5.247 3.577 1.00 10.00 H new ATOM 0 HB3 TYR B 12 16.397 -5.042 4.162 1.00 10.00 H new ATOM 0 HD1 TYR B 12 17.389 -2.655 4.153 1.00 10.00 H new ATOM 0 HD2 TYR B 12 13.236 -3.425 3.587 1.00 10.00 H new ATOM 0 HE1 TYR B 12 16.878 -0.328 4.744 1.00 10.00 H new ATOM 0 HE2 TYR B 12 12.724 -1.098 4.182 1.00 10.00 H new ATOM 0 HH TYR B 12 13.905 0.748 5.611 1.00 10.00 H new