USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 465 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 8 ASN : amide:sc= -0.342 K(o=0.62,f=-11!) USER MOD Set 1.2: A 13 LYS NZ :NH3+ -168:sc= 0.96 (180deg=0) USER MOD Single : A 1 THR N :NH3+ 162:sc= 0.278 (180deg=0.197) USER MOD Single : A 1 THR OG1 : rot 101:sc= 0.0685 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0391 USER MOD Single : A 3 TYR OH : rot 180:sc= -0.025 USER MOD Single : A 4 LYS NZ :NH3+ 155:sc=-0.00729 (180deg=-0.332) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.161 K(o=-0.16,f=-0.82) USER MOD Single : A 18 LYS NZ :NH3+ 151:sc= -0.15 (180deg=-0.601) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.636 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -1.06 K(o=-1.1,f=-0.18) USER MOD Single : A 37 LYS NZ :NH3+ -123:sc= -0.666 (180deg=-1.62!) USER MOD Single : A 38 THR OG1 : rot -160:sc= -1.14 USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.718 USER MOD Single : A 45 TYR OH : rot -14:sc= 0.711 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot -160:sc= -0.26 USER MOD Single : A 53 THR OG1 : rot 180:sc= -1.54! USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 5.002 -13.989 4.392 1.00 0.00 N ATOM 2 CA THR A 1 4.136 -13.370 3.354 1.00 0.00 C ATOM 3 C THR A 1 4.620 -11.969 2.994 1.00 0.00 C ATOM 4 O THR A 1 4.780 -11.113 3.865 1.00 0.00 O ATOM 5 CB THR A 1 2.703 -13.313 3.886 1.00 0.00 C ATOM 6 OG1 THR A 1 2.361 -14.525 4.534 1.00 0.00 O ATOM 7 CG2 THR A 1 1.673 -13.063 2.805 1.00 0.00 C ATOM 0 H1 THR A 1 4.499 -14.785 4.834 1.00 0.00 H new ATOM 0 H2 THR A 1 5.878 -14.335 3.952 1.00 0.00 H new ATOM 0 H3 THR A 1 5.235 -13.281 5.117 1.00 0.00 H new ATOM 0 HA THR A 1 4.177 -13.974 2.447 1.00 0.00 H new ATOM 0 HB THR A 1 2.686 -12.474 4.582 1.00 0.00 H new ATOM 0 HG1 THR A 1 2.435 -14.409 5.504 1.00 0.00 H new ATOM 0 HG21 THR A 1 0.678 -13.034 3.250 1.00 0.00 H new ATOM 0 HG22 THR A 1 1.880 -12.110 2.318 1.00 0.00 H new ATOM 0 HG23 THR A 1 1.718 -13.864 2.068 1.00 0.00 H new ATOM 17 N THR A 2 4.854 -11.742 1.705 1.00 0.00 N ATOM 18 CA THR A 2 5.320 -10.445 1.231 1.00 0.00 C ATOM 19 C THR A 2 4.158 -9.603 0.714 1.00 0.00 C ATOM 20 O THR A 2 3.549 -9.927 -0.306 1.00 0.00 O ATOM 21 CB THR A 2 6.364 -10.629 0.126 1.00 0.00 C ATOM 22 OG1 THR A 2 6.174 -11.863 -0.541 1.00 0.00 O ATOM 23 CG2 THR A 2 7.787 -10.597 0.638 1.00 0.00 C ATOM 0 H THR A 2 4.728 -12.439 0.971 1.00 0.00 H new ATOM 0 HA THR A 2 5.777 -9.922 2.071 1.00 0.00 H new ATOM 0 HB THR A 2 6.220 -9.788 -0.552 1.00 0.00 H new ATOM 0 HG1 THR A 2 6.849 -11.962 -1.244 1.00 0.00 H new ATOM 0 HG21 THR A 2 8.477 -10.733 -0.195 1.00 0.00 H new ATOM 0 HG22 THR A 2 7.980 -9.637 1.116 1.00 0.00 H new ATOM 0 HG23 THR A 2 7.931 -11.398 1.363 1.00 0.00 H new ATOM 31 N TYR A 3 3.855 -8.520 1.424 1.00 0.00 N ATOM 32 CA TYR A 3 2.767 -7.633 1.034 1.00 0.00 C ATOM 33 C TYR A 3 3.304 -6.392 0.329 1.00 0.00 C ATOM 34 O TYR A 3 4.408 -5.931 0.620 1.00 0.00 O ATOM 35 CB TYR A 3 1.947 -7.224 2.260 1.00 0.00 C ATOM 36 CG TYR A 3 1.385 -8.398 3.030 1.00 0.00 C ATOM 37 CD1 TYR A 3 2.165 -9.092 3.950 1.00 0.00 C ATOM 38 CD2 TYR A 3 0.073 -8.813 2.841 1.00 0.00 C ATOM 39 CE1 TYR A 3 1.653 -10.165 4.654 1.00 0.00 C ATOM 40 CE2 TYR A 3 -0.446 -9.884 3.542 1.00 0.00 C ATOM 41 CZ TYR A 3 0.348 -10.555 4.447 1.00 0.00 C ATOM 42 OH TYR A 3 -0.166 -11.623 5.148 1.00 0.00 O ATOM 0 H TYR A 3 4.348 -8.237 2.271 1.00 0.00 H new ATOM 0 HA TYR A 3 2.123 -8.173 0.340 1.00 0.00 H new ATOM 0 HB2 TYR A 3 2.574 -6.630 2.925 1.00 0.00 H new ATOM 0 HB3 TYR A 3 1.126 -6.583 1.940 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.188 -8.787 4.117 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -0.552 -8.289 2.133 1.00 0.00 H new ATOM 0 HE1 TYR A 3 2.272 -10.695 5.363 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -1.468 -10.194 3.382 1.00 0.00 H new ATOM 0 HH TYR A 3 -1.099 -11.767 4.886 1.00 0.00 H new ATOM 52 N LYS A 4 2.520 -5.857 -0.601 1.00 0.00 N ATOM 53 CA LYS A 4 2.923 -4.670 -1.348 1.00 0.00 C ATOM 54 C LYS A 4 1.768 -3.692 -1.492 1.00 0.00 C ATOM 55 O LYS A 4 0.602 -4.088 -1.520 1.00 0.00 O ATOM 56 CB LYS A 4 3.451 -5.069 -2.727 1.00 0.00 C ATOM 57 CG LYS A 4 4.500 -6.167 -2.683 1.00 0.00 C ATOM 58 CD LYS A 4 4.855 -6.658 -4.077 1.00 0.00 C ATOM 59 CE LYS A 4 6.356 -6.832 -4.243 1.00 0.00 C ATOM 60 NZ LYS A 4 6.945 -7.669 -3.160 1.00 0.00 N ATOM 0 H LYS A 4 1.604 -6.225 -0.855 1.00 0.00 H new ATOM 0 HA LYS A 4 3.718 -4.174 -0.791 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.616 -5.400 -3.344 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.877 -4.191 -3.212 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.397 -5.794 -2.189 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.130 -7.001 -2.086 1.00 0.00 H new ATOM 0 HD2 LYS A 4 4.355 -7.608 -4.267 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.486 -5.949 -4.818 1.00 0.00 H new ATOM 0 HE2 LYS A 4 6.563 -7.292 -5.209 1.00 0.00 H new ATOM 0 HE3 LYS A 4 6.836 -5.853 -4.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 7.822 -8.112 -3.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 7.157 -7.071 -2.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 6.268 -8.409 -2.886 1.00 0.00 H new ATOM 74 N LEU A 5 2.102 -2.411 -1.577 1.00 0.00 N ATOM 75 CA LEU A 5 1.098 -1.366 -1.709 1.00 0.00 C ATOM 76 C LEU A 5 1.432 -0.431 -2.871 1.00 0.00 C ATOM 77 O LEU A 5 2.464 0.239 -2.865 1.00 0.00 O ATOM 78 CB LEU A 5 0.998 -0.576 -0.402 1.00 0.00 C ATOM 79 CG LEU A 5 0.424 0.840 -0.529 1.00 0.00 C ATOM 80 CD1 LEU A 5 -0.858 0.825 -1.347 1.00 0.00 C ATOM 81 CD2 LEU A 5 0.168 1.442 0.846 1.00 0.00 C ATOM 0 H LEU A 5 3.063 -2.071 -1.557 1.00 0.00 H new ATOM 0 HA LEU A 5 0.136 -1.834 -1.919 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.379 -1.139 0.296 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.993 -0.508 0.038 1.00 0.00 H new ATOM 0 HG LEU A 5 1.157 1.460 -1.045 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -1.251 1.839 -1.426 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.649 0.438 -2.344 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -1.595 0.188 -0.857 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -0.239 2.447 0.733 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -0.545 0.821 1.388 1.00 0.00 H new ATOM 0 HD23 LEU A 5 1.104 1.490 1.402 1.00 0.00 H new ATOM 93 N ILE A 6 0.545 -0.385 -3.861 1.00 0.00 N ATOM 94 CA ILE A 6 0.741 0.477 -5.021 1.00 0.00 C ATOM 95 C ILE A 6 0.062 1.825 -4.808 1.00 0.00 C ATOM 96 O ILE A 6 -1.166 1.925 -4.837 1.00 0.00 O ATOM 97 CB ILE A 6 0.201 -0.174 -6.306 1.00 0.00 C ATOM 98 CG1 ILE A 6 0.772 -1.579 -6.474 1.00 0.00 C ATOM 99 CG2 ILE A 6 0.525 0.686 -7.521 1.00 0.00 C ATOM 100 CD1 ILE A 6 2.269 -1.591 -6.648 1.00 0.00 C ATOM 0 H ILE A 6 -0.315 -0.934 -3.883 1.00 0.00 H new ATOM 0 HA ILE A 6 1.815 0.627 -5.136 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.883 -0.251 -6.222 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.509 -2.179 -5.603 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.308 -2.053 -7.339 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.135 0.208 -8.420 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.067 1.668 -7.404 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.606 0.798 -7.610 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.614 -2.619 -6.762 1.00 0.00 H new ATOM 0 HD12 ILE A 6 2.537 -1.017 -7.535 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.741 -1.145 -5.772 1.00 0.00 H new ATOM 112 N LEU A 7 0.868 2.858 -4.585 1.00 0.00 N ATOM 113 CA LEU A 7 0.349 4.200 -4.354 1.00 0.00 C ATOM 114 C LEU A 7 0.249 4.989 -5.654 1.00 0.00 C ATOM 115 O LEU A 7 1.229 5.128 -6.387 1.00 0.00 O ATOM 116 CB LEU A 7 1.242 4.948 -3.363 1.00 0.00 C ATOM 117 CG LEU A 7 1.340 4.316 -1.973 1.00 0.00 C ATOM 118 CD1 LEU A 7 2.498 4.921 -1.193 1.00 0.00 C ATOM 119 CD2 LEU A 7 0.034 4.492 -1.216 1.00 0.00 C ATOM 0 H LEU A 7 1.885 2.790 -4.559 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.653 4.102 -3.937 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.245 5.020 -3.784 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.867 5.966 -3.257 1.00 0.00 H new ATOM 0 HG LEU A 7 1.527 3.249 -2.091 1.00 0.00 H new ATOM 0 HD11 LEU A 7 2.553 4.460 -0.207 1.00 0.00 H new ATOM 0 HD12 LEU A 7 3.430 4.743 -1.729 1.00 0.00 H new ATOM 0 HD13 LEU A 7 2.342 5.994 -1.083 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.121 4.037 -0.229 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.183 5.555 -1.107 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.774 4.011 -1.767 1.00 0.00 H new ATOM 131 N ASN A 8 -0.941 5.516 -5.927 1.00 0.00 N ATOM 132 CA ASN A 8 -1.173 6.304 -7.133 1.00 0.00 C ATOM 133 C ASN A 8 -1.792 7.652 -6.779 1.00 0.00 C ATOM 134 O ASN A 8 -2.992 7.747 -6.519 1.00 0.00 O ATOM 135 CB ASN A 8 -2.081 5.547 -8.105 1.00 0.00 C ATOM 136 CG ASN A 8 -1.681 5.756 -9.553 1.00 0.00 C ATOM 137 OD1 ASN A 8 -1.681 4.817 -10.350 1.00 0.00 O ATOM 138 ND2 ASN A 8 -1.334 6.990 -9.902 1.00 0.00 N ATOM 0 H ASN A 8 -1.760 5.411 -5.329 1.00 0.00 H new ATOM 0 HA ASN A 8 -0.212 6.476 -7.617 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -2.050 4.483 -7.873 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -3.111 5.874 -7.965 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -1.053 7.189 -10.862 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -1.348 7.739 -9.210 1.00 0.00 H new ATOM 145 N LEU A 9 -0.966 8.683 -6.764 1.00 0.00 N ATOM 146 CA LEU A 9 -1.425 10.030 -6.438 1.00 0.00 C ATOM 147 C LEU A 9 -1.298 10.956 -7.642 1.00 0.00 C ATOM 148 O LEU A 9 -0.845 10.545 -8.711 1.00 0.00 O ATOM 149 CB LEU A 9 -0.629 10.593 -5.259 1.00 0.00 C ATOM 150 CG LEU A 9 0.893 10.468 -5.387 1.00 0.00 C ATOM 151 CD1 LEU A 9 1.572 11.776 -5.003 1.00 0.00 C ATOM 152 CD2 LEU A 9 1.407 9.324 -4.523 1.00 0.00 C ATOM 0 H LEU A 9 0.030 8.617 -6.974 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.477 9.969 -6.160 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.883 11.646 -5.138 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.945 10.082 -4.349 1.00 0.00 H new ATOM 0 HG LEU A 9 1.135 10.250 -6.427 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.652 11.667 -5.100 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.227 12.572 -5.662 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.324 12.026 -3.971 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.490 9.249 -4.625 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.153 9.513 -3.480 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.946 8.390 -4.844 1.00 0.00 H new ATOM 164 N LYS A 10 -1.699 12.210 -7.461 1.00 0.00 N ATOM 165 CA LYS A 10 -1.629 13.201 -8.535 1.00 0.00 C ATOM 166 C LYS A 10 -0.243 13.844 -8.615 1.00 0.00 C ATOM 167 O LYS A 10 -0.080 14.910 -9.222 1.00 0.00 O ATOM 168 CB LYS A 10 -2.691 14.288 -8.327 1.00 0.00 C ATOM 169 CG LYS A 10 -2.644 14.925 -6.949 1.00 0.00 C ATOM 170 CD LYS A 10 -2.986 16.408 -7.009 1.00 0.00 C ATOM 171 CE LYS A 10 -4.367 16.680 -6.435 1.00 0.00 C ATOM 172 NZ LYS A 10 -4.714 18.128 -6.499 1.00 0.00 N ATOM 0 H LYS A 10 -2.076 12.566 -6.583 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.819 12.682 -9.474 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.559 15.063 -9.082 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.679 13.855 -8.485 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.344 14.415 -6.287 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.650 14.797 -6.521 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.241 16.978 -6.454 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.945 16.751 -8.043 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.110 16.103 -6.985 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.404 16.342 -5.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.663 18.276 -6.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.019 18.676 -5.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.703 18.444 -7.490 1.00 0.00 H new ATOM 186 N GLN A 11 0.753 13.204 -8.009 1.00 0.00 N ATOM 187 CA GLN A 11 2.117 13.726 -8.024 1.00 0.00 C ATOM 188 C GLN A 11 3.127 12.581 -7.974 1.00 0.00 C ATOM 189 O GLN A 11 3.669 12.265 -6.918 1.00 0.00 O ATOM 190 CB GLN A 11 2.339 14.670 -6.840 1.00 0.00 C ATOM 191 CG GLN A 11 2.160 16.142 -7.195 1.00 0.00 C ATOM 192 CD GLN A 11 3.408 16.956 -6.928 1.00 0.00 C ATOM 193 OE1 GLN A 11 4.165 16.681 -5.999 1.00 0.00 O ATOM 194 NE2 GLN A 11 3.632 17.978 -7.745 1.00 0.00 N ATOM 0 H GLN A 11 0.642 12.326 -7.503 1.00 0.00 H new ATOM 0 HA GLN A 11 2.262 14.282 -8.950 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.643 14.409 -6.042 1.00 0.00 H new ATOM 0 HB3 GLN A 11 3.345 14.518 -6.448 1.00 0.00 H new ATOM 0 HG2 GLN A 11 1.891 16.229 -8.248 1.00 0.00 H new ATOM 0 HG3 GLN A 11 1.331 16.554 -6.619 1.00 0.00 H new ATOM 0 HE21 GLN A 11 2.981 18.175 -8.505 1.00 0.00 H new ATOM 0 HE22 GLN A 11 4.455 18.566 -7.613 1.00 0.00 H new ATOM 203 N ALA A 12 3.372 11.960 -9.126 1.00 0.00 N ATOM 204 CA ALA A 12 4.315 10.854 -9.221 1.00 0.00 C ATOM 205 C ALA A 12 3.789 9.625 -8.488 1.00 0.00 C ATOM 206 O ALA A 12 3.099 9.742 -7.476 1.00 0.00 O ATOM 207 CB ALA A 12 5.675 11.265 -8.670 1.00 0.00 C ATOM 0 H ALA A 12 2.927 12.208 -10.010 1.00 0.00 H new ATOM 0 HA ALA A 12 4.431 10.595 -10.274 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.368 10.427 -8.748 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.060 12.109 -9.243 1.00 0.00 H new ATOM 0 HB3 ALA A 12 5.572 11.554 -7.624 1.00 0.00 H new ATOM 213 N LYS A 13 4.121 8.447 -9.006 1.00 0.00 N ATOM 214 CA LYS A 13 3.682 7.193 -8.402 1.00 0.00 C ATOM 215 C LYS A 13 4.773 6.608 -7.515 1.00 0.00 C ATOM 216 O LYS A 13 5.962 6.815 -7.755 1.00 0.00 O ATOM 217 CB LYS A 13 3.297 6.185 -9.488 1.00 0.00 C ATOM 218 CG LYS A 13 2.144 5.282 -9.099 1.00 0.00 C ATOM 219 CD LYS A 13 1.532 4.602 -10.312 1.00 0.00 C ATOM 220 CE LYS A 13 1.164 3.158 -10.015 1.00 0.00 C ATOM 221 NZ LYS A 13 -0.120 2.768 -10.659 1.00 0.00 N ATOM 0 H LYS A 13 4.693 8.334 -9.843 1.00 0.00 H new ATOM 0 HA LYS A 13 2.808 7.402 -7.785 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.033 6.726 -10.396 1.00 0.00 H new ATOM 0 HB3 LYS A 13 4.165 5.570 -9.725 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.494 4.526 -8.396 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.381 5.866 -8.585 1.00 0.00 H new ATOM 0 HD2 LYS A 13 0.642 5.148 -10.626 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.236 4.635 -11.143 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.960 2.501 -10.366 1.00 0.00 H new ATOM 0 HE3 LYS A 13 1.087 3.018 -8.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -0.439 1.856 -10.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -0.839 3.495 -10.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 0.019 2.681 -11.686 1.00 0.00 H new ATOM 235 N GLU A 14 4.362 5.874 -6.485 1.00 0.00 N ATOM 236 CA GLU A 14 5.309 5.258 -5.563 1.00 0.00 C ATOM 237 C GLU A 14 4.833 3.871 -5.138 1.00 0.00 C ATOM 238 O GLU A 14 3.643 3.658 -4.904 1.00 0.00 O ATOM 239 CB GLU A 14 5.504 6.147 -4.332 1.00 0.00 C ATOM 240 CG GLU A 14 6.961 6.456 -4.031 1.00 0.00 C ATOM 241 CD GLU A 14 7.178 7.902 -3.628 1.00 0.00 C ATOM 242 OE1 GLU A 14 6.614 8.787 -4.292 1.00 0.00 O ATOM 243 OE2 GLU A 14 7.911 8.140 -2.645 1.00 0.00 O ATOM 0 H GLU A 14 3.382 5.692 -6.269 1.00 0.00 H new ATOM 0 HA GLU A 14 6.263 5.150 -6.078 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.966 7.083 -4.481 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.058 5.657 -3.466 1.00 0.00 H new ATOM 0 HG2 GLU A 14 7.309 5.803 -3.231 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.565 6.233 -4.910 1.00 0.00 H new ATOM 250 N GLU A 15 5.769 2.933 -5.041 1.00 0.00 N ATOM 251 CA GLU A 15 5.445 1.567 -4.645 1.00 0.00 C ATOM 252 C GLU A 15 6.058 1.228 -3.292 1.00 0.00 C ATOM 253 O GLU A 15 7.265 1.364 -3.094 1.00 0.00 O ATOM 254 CB GLU A 15 5.940 0.573 -5.697 1.00 0.00 C ATOM 255 CG GLU A 15 5.127 0.589 -6.980 1.00 0.00 C ATOM 256 CD GLU A 15 5.769 -0.225 -8.087 1.00 0.00 C ATOM 257 OE1 GLU A 15 7.013 -0.339 -8.095 1.00 0.00 O ATOM 258 OE2 GLU A 15 5.028 -0.746 -8.946 1.00 0.00 O ATOM 0 H GLU A 15 6.758 3.093 -5.231 1.00 0.00 H new ATOM 0 HA GLU A 15 4.361 1.494 -4.564 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.981 0.795 -5.933 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.917 -0.432 -5.275 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.129 0.199 -6.779 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.005 1.619 -7.315 1.00 0.00 H new ATOM 265 N ALA A 16 5.220 0.775 -2.368 1.00 0.00 N ATOM 266 CA ALA A 16 5.678 0.403 -1.036 1.00 0.00 C ATOM 267 C ALA A 16 5.610 -1.107 -0.851 1.00 0.00 C ATOM 268 O ALA A 16 4.600 -1.735 -1.171 1.00 0.00 O ATOM 269 CB ALA A 16 4.849 1.108 0.027 1.00 0.00 C ATOM 0 H ALA A 16 4.218 0.656 -2.517 1.00 0.00 H new ATOM 0 HA ALA A 16 6.716 0.716 -0.928 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.204 0.819 1.016 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.946 2.187 -0.092 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.802 0.824 -0.080 1.00 0.00 H new ATOM 275 N ILE A 17 6.688 -1.689 -0.343 1.00 0.00 N ATOM 276 CA ILE A 17 6.741 -3.129 -0.129 1.00 0.00 C ATOM 277 C ILE A 17 7.446 -3.474 1.177 1.00 0.00 C ATOM 278 O ILE A 17 8.283 -2.717 1.665 1.00 0.00 O ATOM 279 CB ILE A 17 7.449 -3.845 -1.301 1.00 0.00 C ATOM 280 CG1 ILE A 17 8.932 -3.467 -1.351 1.00 0.00 C ATOM 281 CG2 ILE A 17 6.764 -3.505 -2.618 1.00 0.00 C ATOM 282 CD1 ILE A 17 9.178 -2.010 -1.680 1.00 0.00 C ATOM 0 H ILE A 17 7.535 -1.189 -0.072 1.00 0.00 H new ATOM 0 HA ILE A 17 5.710 -3.477 -0.073 1.00 0.00 H new ATOM 0 HB ILE A 17 7.379 -4.921 -1.141 1.00 0.00 H new ATOM 0 HG12 ILE A 17 9.389 -3.695 -0.388 1.00 0.00 H new ATOM 0 HG13 ILE A 17 9.431 -4.088 -2.095 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.273 -4.016 -3.435 1.00 0.00 H new ATOM 0 HG22 ILE A 17 5.723 -3.827 -2.581 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.805 -2.428 -2.782 1.00 0.00 H new ATOM 0 HD11 ILE A 17 10.251 -1.817 -1.698 1.00 0.00 H new ATOM 0 HD12 ILE A 17 8.752 -1.781 -2.657 1.00 0.00 H new ATOM 0 HD13 ILE A 17 8.709 -1.382 -0.923 1.00 0.00 H new ATOM 294 N LYS A 18 7.090 -4.623 1.739 1.00 0.00 N ATOM 295 CA LYS A 18 7.672 -5.074 2.994 1.00 0.00 C ATOM 296 C LYS A 18 7.297 -6.530 3.269 1.00 0.00 C ATOM 297 O LYS A 18 6.190 -6.964 2.956 1.00 0.00 O ATOM 298 CB LYS A 18 7.197 -4.167 4.134 1.00 0.00 C ATOM 299 CG LYS A 18 7.344 -4.776 5.521 1.00 0.00 C ATOM 300 CD LYS A 18 7.851 -3.756 6.529 1.00 0.00 C ATOM 301 CE LYS A 18 6.715 -3.175 7.354 1.00 0.00 C ATOM 302 NZ LYS A 18 6.045 -4.213 8.186 1.00 0.00 N ATOM 0 H LYS A 18 6.399 -5.260 1.343 1.00 0.00 H new ATOM 0 HA LYS A 18 8.758 -5.016 2.924 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.759 -3.234 4.098 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.149 -3.915 3.970 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.382 -5.167 5.851 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.033 -5.619 5.478 1.00 0.00 H new ATOM 0 HD2 LYS A 18 8.578 -4.227 7.190 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.370 -2.953 6.006 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.102 -2.386 7.999 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.983 -2.714 6.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.656 -3.772 9.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.274 -4.650 7.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.736 -4.942 8.454 1.00 0.00 H new ATOM 316 N GLU A 19 8.226 -7.275 3.859 1.00 0.00 N ATOM 317 CA GLU A 19 7.991 -8.679 4.177 1.00 0.00 C ATOM 318 C GLU A 19 7.545 -8.841 5.627 1.00 0.00 C ATOM 319 O GLU A 19 8.247 -8.431 6.552 1.00 0.00 O ATOM 320 CB GLU A 19 9.257 -9.500 3.926 1.00 0.00 C ATOM 321 CG GLU A 19 9.943 -9.173 2.609 1.00 0.00 C ATOM 322 CD GLU A 19 10.914 -8.016 2.730 1.00 0.00 C ATOM 323 OE1 GLU A 19 11.492 -7.839 3.822 1.00 0.00 O ATOM 324 OE2 GLU A 19 11.095 -7.285 1.734 1.00 0.00 O ATOM 0 H GLU A 19 9.148 -6.930 4.126 1.00 0.00 H new ATOM 0 HA GLU A 19 7.195 -9.044 3.528 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.958 -9.330 4.743 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.002 -10.560 3.940 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.476 -10.054 2.253 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.188 -8.932 1.860 1.00 0.00 H new ATOM 331 N ALA A 20 6.375 -9.443 5.819 1.00 0.00 N ATOM 332 CA ALA A 20 5.837 -9.659 7.156 1.00 0.00 C ATOM 333 C ALA A 20 5.182 -11.033 7.268 1.00 0.00 C ATOM 334 O ALA A 20 4.624 -11.546 6.300 1.00 0.00 O ATOM 335 CB ALA A 20 4.838 -8.567 7.505 1.00 0.00 C ATOM 0 H ALA A 20 5.782 -9.790 5.065 1.00 0.00 H new ATOM 0 HA ALA A 20 6.664 -9.620 7.865 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.444 -8.741 8.506 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.334 -7.597 7.473 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.019 -8.580 6.786 1.00 0.00 H new ATOM 341 N VAL A 21 5.255 -11.622 8.459 1.00 0.00 N ATOM 342 CA VAL A 21 4.670 -12.937 8.695 1.00 0.00 C ATOM 343 C VAL A 21 3.166 -12.931 8.434 1.00 0.00 C ATOM 344 O VAL A 21 2.641 -13.815 7.757 1.00 0.00 O ATOM 345 CB VAL A 21 4.927 -13.418 10.136 1.00 0.00 C ATOM 346 CG1 VAL A 21 6.408 -13.690 10.352 1.00 0.00 C ATOM 347 CG2 VAL A 21 4.412 -12.401 11.142 1.00 0.00 C ATOM 0 H VAL A 21 5.712 -11.210 9.273 1.00 0.00 H new ATOM 0 HA VAL A 21 5.152 -13.623 7.999 1.00 0.00 H new ATOM 0 HB VAL A 21 4.383 -14.350 10.289 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.570 -14.029 11.375 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.741 -14.461 9.657 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.975 -12.775 10.178 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.603 -12.760 12.153 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.923 -11.450 10.992 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.340 -12.263 11.003 1.00 0.00 H new ATOM 357 N ASP A 22 2.478 -11.931 8.974 1.00 0.00 N ATOM 358 CA ASP A 22 1.035 -11.813 8.798 1.00 0.00 C ATOM 359 C ASP A 22 0.690 -10.565 7.986 1.00 0.00 C ATOM 360 O ASP A 22 1.567 -9.945 7.385 1.00 0.00 O ATOM 361 CB ASP A 22 0.337 -11.767 10.161 1.00 0.00 C ATOM 362 CG ASP A 22 0.698 -10.527 10.957 1.00 0.00 C ATOM 363 OD1 ASP A 22 1.905 -10.276 11.149 1.00 0.00 O ATOM 364 OD2 ASP A 22 -0.229 -9.809 11.388 1.00 0.00 O ATOM 0 H ASP A 22 2.896 -11.190 9.537 1.00 0.00 H new ATOM 0 HA ASP A 22 0.683 -12.688 8.251 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.743 -11.799 10.014 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.607 -12.654 10.734 1.00 0.00 H new ATOM 369 N ALA A 23 -0.589 -10.201 7.972 1.00 0.00 N ATOM 370 CA ALA A 23 -1.038 -9.027 7.232 1.00 0.00 C ATOM 371 C ALA A 23 -1.197 -7.825 8.154 1.00 0.00 C ATOM 372 O ALA A 23 -1.003 -6.683 7.739 1.00 0.00 O ATOM 373 CB ALA A 23 -2.345 -9.320 6.514 1.00 0.00 C ATOM 0 H ALA A 23 -1.330 -10.701 8.463 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.277 -8.785 6.490 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.666 -8.434 5.967 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.200 -10.145 5.816 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.108 -9.592 7.243 1.00 0.00 H new ATOM 379 N GLY A 24 -1.553 -8.087 9.409 1.00 0.00 N ATOM 380 CA GLY A 24 -1.731 -7.012 10.370 1.00 0.00 C ATOM 381 C GLY A 24 -0.562 -6.047 10.378 1.00 0.00 C ATOM 382 O GLY A 24 -0.730 -4.856 10.641 1.00 0.00 O ATOM 0 H GLY A 24 -1.721 -9.023 9.777 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.647 -6.468 10.138 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.856 -7.436 11.366 1.00 0.00 H new ATOM 386 N THR A 25 0.625 -6.566 10.081 1.00 0.00 N ATOM 387 CA THR A 25 1.830 -5.749 10.046 1.00 0.00 C ATOM 388 C THR A 25 1.903 -4.957 8.743 1.00 0.00 C ATOM 389 O THR A 25 2.472 -3.866 8.701 1.00 0.00 O ATOM 390 CB THR A 25 3.076 -6.625 10.200 1.00 0.00 C ATOM 391 OG1 THR A 25 2.720 -7.945 10.570 1.00 0.00 O ATOM 392 CG2 THR A 25 4.047 -6.105 11.237 1.00 0.00 C ATOM 0 H THR A 25 0.777 -7.550 9.861 1.00 0.00 H new ATOM 0 HA THR A 25 1.791 -5.047 10.879 1.00 0.00 H new ATOM 0 HB THR A 25 3.564 -6.607 9.225 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.530 -8.489 10.662 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.907 -6.772 11.296 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.380 -5.106 10.955 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.554 -6.062 12.208 1.00 0.00 H new ATOM 400 N ALA A 26 1.320 -5.512 7.684 1.00 0.00 N ATOM 401 CA ALA A 26 1.316 -4.854 6.385 1.00 0.00 C ATOM 402 C ALA A 26 0.233 -3.784 6.326 1.00 0.00 C ATOM 403 O ALA A 26 0.450 -2.694 5.797 1.00 0.00 O ATOM 404 CB ALA A 26 1.119 -5.874 5.274 1.00 0.00 C ATOM 0 H ALA A 26 0.845 -6.415 7.702 1.00 0.00 H new ATOM 0 HA ALA A 26 2.282 -4.369 6.243 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.118 -5.366 4.310 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.930 -6.602 5.300 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.167 -6.386 5.415 1.00 0.00 H new ATOM 410 N GLU A 27 -0.935 -4.102 6.880 1.00 0.00 N ATOM 411 CA GLU A 27 -2.051 -3.164 6.896 1.00 0.00 C ATOM 412 C GLU A 27 -1.706 -1.940 7.736 1.00 0.00 C ATOM 413 O GLU A 27 -1.702 -0.814 7.238 1.00 0.00 O ATOM 414 CB GLU A 27 -3.305 -3.843 7.451 1.00 0.00 C ATOM 415 CG GLU A 27 -4.523 -2.933 7.491 1.00 0.00 C ATOM 416 CD GLU A 27 -5.663 -3.521 8.297 1.00 0.00 C ATOM 417 OE1 GLU A 27 -5.388 -4.220 9.294 1.00 0.00 O ATOM 418 OE2 GLU A 27 -6.834 -3.284 7.931 1.00 0.00 O ATOM 0 H GLU A 27 -1.131 -5.000 7.322 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.246 -2.842 5.873 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.535 -4.717 6.842 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.097 -4.203 8.459 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.239 -1.971 7.918 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.863 -2.742 6.473 1.00 0.00 H new ATOM 425 N LYS A 28 -1.409 -2.169 9.012 1.00 0.00 N ATOM 426 CA LYS A 28 -1.055 -1.084 9.922 1.00 0.00 C ATOM 427 C LYS A 28 0.125 -0.278 9.382 1.00 0.00 C ATOM 428 O LYS A 28 0.143 0.949 9.473 1.00 0.00 O ATOM 429 CB LYS A 28 -0.718 -1.641 11.306 1.00 0.00 C ATOM 430 CG LYS A 28 -1.862 -1.530 12.302 1.00 0.00 C ATOM 431 CD LYS A 28 -2.010 -0.110 12.823 1.00 0.00 C ATOM 432 CE LYS A 28 -3.425 0.162 13.308 1.00 0.00 C ATOM 433 NZ LYS A 28 -3.605 -0.213 14.737 1.00 0.00 N ATOM 0 H LYS A 28 -1.406 -3.095 9.439 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.915 -0.419 10.005 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.433 -2.689 11.207 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.149 -1.111 11.701 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.792 -1.843 11.827 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.686 -2.209 13.137 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.307 0.054 13.640 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.753 0.597 12.034 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.656 1.219 13.179 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.132 -0.396 12.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.583 -0.012 15.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.410 -1.227 14.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.948 0.338 15.326 1.00 0.00 H new ATOM 447 N TYR A 29 1.108 -0.975 8.817 1.00 0.00 N ATOM 448 CA TYR A 29 2.286 -0.316 8.261 1.00 0.00 C ATOM 449 C TYR A 29 1.920 0.437 6.983 1.00 0.00 C ATOM 450 O TYR A 29 2.304 1.593 6.803 1.00 0.00 O ATOM 451 CB TYR A 29 3.396 -1.334 7.976 1.00 0.00 C ATOM 452 CG TYR A 29 4.597 -0.746 7.267 1.00 0.00 C ATOM 453 CD1 TYR A 29 4.610 -0.592 5.886 1.00 0.00 C ATOM 454 CD2 TYR A 29 5.720 -0.343 7.982 1.00 0.00 C ATOM 455 CE1 TYR A 29 5.706 -0.053 5.237 1.00 0.00 C ATOM 456 CE2 TYR A 29 6.819 0.197 7.340 1.00 0.00 C ATOM 457 CZ TYR A 29 6.807 0.338 5.970 1.00 0.00 C ATOM 458 OH TYR A 29 7.899 0.875 5.328 1.00 0.00 O ATOM 0 H TYR A 29 1.112 -1.991 8.732 1.00 0.00 H new ATOM 0 HA TYR A 29 2.656 0.398 8.997 1.00 0.00 H new ATOM 0 HB2 TYR A 29 3.722 -1.775 8.918 1.00 0.00 H new ATOM 0 HB3 TYR A 29 2.988 -2.142 7.370 1.00 0.00 H new ATOM 0 HD1 TYR A 29 3.750 -0.898 5.310 1.00 0.00 H new ATOM 0 HD2 TYR A 29 5.734 -0.454 9.056 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.700 0.061 4.163 1.00 0.00 H new ATOM 0 HE2 TYR A 29 7.683 0.507 7.910 1.00 0.00 H new ATOM 0 HH TYR A 29 8.588 1.099 5.987 1.00 0.00 H new ATOM 468 N PHE A 30 1.168 -0.221 6.107 1.00 0.00 N ATOM 469 CA PHE A 30 0.742 0.398 4.857 1.00 0.00 C ATOM 470 C PHE A 30 -0.126 1.615 5.152 1.00 0.00 C ATOM 471 O PHE A 30 0.004 2.657 4.510 1.00 0.00 O ATOM 472 CB PHE A 30 -0.025 -0.605 3.984 1.00 0.00 C ATOM 473 CG PHE A 30 0.846 -1.580 3.229 1.00 0.00 C ATOM 474 CD1 PHE A 30 2.228 -1.430 3.181 1.00 0.00 C ATOM 475 CD2 PHE A 30 0.273 -2.654 2.565 1.00 0.00 C ATOM 476 CE1 PHE A 30 3.013 -2.331 2.486 1.00 0.00 C ATOM 477 CE2 PHE A 30 1.057 -3.557 1.868 1.00 0.00 C ATOM 478 CZ PHE A 30 2.426 -3.394 1.830 1.00 0.00 C ATOM 0 H PHE A 30 0.842 -1.179 6.238 1.00 0.00 H new ATOM 0 HA PHE A 30 1.628 0.716 4.308 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.711 -1.167 4.618 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.633 -0.052 3.268 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.693 -0.600 3.692 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.798 -2.788 2.592 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.085 -2.203 2.456 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.597 -4.388 1.354 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.039 -4.098 1.287 1.00 0.00 H new ATOM 488 N LYS A 31 -1.012 1.475 6.134 1.00 0.00 N ATOM 489 CA LYS A 31 -1.898 2.565 6.522 1.00 0.00 C ATOM 490 C LYS A 31 -1.106 3.787 6.996 1.00 0.00 C ATOM 491 O LYS A 31 -1.557 4.922 6.843 1.00 0.00 O ATOM 492 CB LYS A 31 -2.850 2.102 7.626 1.00 0.00 C ATOM 493 CG LYS A 31 -4.132 2.917 7.706 1.00 0.00 C ATOM 494 CD LYS A 31 -4.315 3.541 9.080 1.00 0.00 C ATOM 495 CE LYS A 31 -5.646 4.266 9.191 1.00 0.00 C ATOM 496 NZ LYS A 31 -6.769 3.324 9.458 1.00 0.00 N ATOM 0 H LYS A 31 -1.134 0.618 6.674 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.475 2.855 5.644 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.105 1.055 7.459 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.335 2.156 8.585 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.113 3.701 6.949 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.985 2.277 7.480 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.258 2.765 9.843 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.502 4.240 9.274 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.592 5.004 9.992 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.841 4.811 8.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.660 3.856 9.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.837 2.635 8.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.596 2.822 10.352 1.00 0.00 H new ATOM 510 N LEU A 32 0.069 3.551 7.583 1.00 0.00 N ATOM 511 CA LEU A 32 0.905 4.633 8.087 1.00 0.00 C ATOM 512 C LEU A 32 1.591 5.394 6.953 1.00 0.00 C ATOM 513 O LEU A 32 1.726 6.617 7.012 1.00 0.00 O ATOM 514 CB LEU A 32 1.952 4.075 9.054 1.00 0.00 C ATOM 515 CG LEU A 32 1.410 3.516 10.379 1.00 0.00 C ATOM 516 CD1 LEU A 32 2.068 4.219 11.552 1.00 0.00 C ATOM 517 CD2 LEU A 32 -0.108 3.653 10.471 1.00 0.00 C ATOM 0 H LEU A 32 0.460 2.619 7.719 1.00 0.00 H new ATOM 0 HA LEU A 32 0.259 5.336 8.613 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.503 3.283 8.546 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.667 4.866 9.281 1.00 0.00 H new ATOM 0 HG LEU A 32 1.651 2.453 10.413 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.676 3.814 12.485 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.146 4.061 11.513 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.855 5.287 11.502 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.453 3.247 11.422 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.383 4.706 10.405 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.573 3.105 9.652 1.00 0.00 H new ATOM 529 N ILE A 33 2.021 4.672 5.920 1.00 0.00 N ATOM 530 CA ILE A 33 2.691 5.301 4.786 1.00 0.00 C ATOM 531 C ILE A 33 1.691 6.040 3.902 1.00 0.00 C ATOM 532 O ILE A 33 1.964 7.143 3.430 1.00 0.00 O ATOM 533 CB ILE A 33 3.470 4.270 3.942 1.00 0.00 C ATOM 534 CG1 ILE A 33 4.204 4.962 2.789 1.00 0.00 C ATOM 535 CG2 ILE A 33 2.537 3.191 3.415 1.00 0.00 C ATOM 536 CD1 ILE A 33 5.710 4.940 2.930 1.00 0.00 C ATOM 0 H ILE A 33 1.918 3.660 5.845 1.00 0.00 H new ATOM 0 HA ILE A 33 3.403 6.019 5.194 1.00 0.00 H new ATOM 0 HB ILE A 33 4.212 3.794 4.583 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.928 4.479 1.852 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.868 5.997 2.725 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.107 2.475 2.823 1.00 0.00 H new ATOM 0 HG22 ILE A 33 2.066 2.676 4.253 1.00 0.00 H new ATOM 0 HG23 ILE A 33 1.768 3.647 2.791 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.163 5.448 2.078 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.997 5.449 3.850 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.057 3.907 2.963 1.00 0.00 H new ATOM 548 N ALA A 34 0.531 5.429 3.687 1.00 0.00 N ATOM 549 CA ALA A 34 -0.506 6.039 2.864 1.00 0.00 C ATOM 550 C ALA A 34 -0.962 7.361 3.466 1.00 0.00 C ATOM 551 O ALA A 34 -0.896 8.407 2.821 1.00 0.00 O ATOM 552 CB ALA A 34 -1.685 5.092 2.708 1.00 0.00 C ATOM 0 H ALA A 34 0.286 4.516 4.069 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.088 6.238 1.877 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -2.450 5.563 2.091 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.351 4.170 2.232 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.100 4.863 3.689 1.00 0.00 H new ATOM 558 N ASN A 35 -1.421 7.309 4.714 1.00 0.00 N ATOM 559 CA ASN A 35 -1.884 8.504 5.412 1.00 0.00 C ATOM 560 C ASN A 35 -0.807 9.587 5.412 1.00 0.00 C ATOM 561 O ASN A 35 -1.112 10.778 5.344 1.00 0.00 O ATOM 562 CB ASN A 35 -2.280 8.158 6.850 1.00 0.00 C ATOM 563 CG ASN A 35 -3.748 8.428 7.131 1.00 0.00 C ATOM 564 OD1 ASN A 35 -4.106 8.899 8.210 1.00 0.00 O ATOM 565 ND2 ASN A 35 -4.610 8.131 6.161 1.00 0.00 N ATOM 0 H ASN A 35 -1.482 6.451 5.262 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.757 8.888 4.885 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.065 7.106 7.039 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.669 8.738 7.541 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -5.608 8.293 6.298 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -4.273 7.742 5.281 1.00 0.00 H new ATOM 572 N ALA A 36 0.454 9.169 5.489 1.00 0.00 N ATOM 573 CA ALA A 36 1.569 10.108 5.496 1.00 0.00 C ATOM 574 C ALA A 36 2.100 10.365 4.087 1.00 0.00 C ATOM 575 O ALA A 36 3.110 11.047 3.914 1.00 0.00 O ATOM 576 CB ALA A 36 2.682 9.591 6.393 1.00 0.00 C ATOM 0 H ALA A 36 0.727 8.188 5.547 1.00 0.00 H new ATOM 0 HA ALA A 36 1.203 11.057 5.888 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.510 10.300 6.391 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.306 9.475 7.409 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.029 8.627 6.023 1.00 0.00 H new ATOM 582 N LYS A 37 1.422 9.816 3.078 1.00 0.00 N ATOM 583 CA LYS A 37 1.846 9.995 1.694 1.00 0.00 C ATOM 584 C LYS A 37 0.934 10.974 0.954 1.00 0.00 C ATOM 585 O LYS A 37 1.407 11.800 0.176 1.00 0.00 O ATOM 586 CB LYS A 37 1.875 8.647 0.965 1.00 0.00 C ATOM 587 CG LYS A 37 3.266 8.043 0.862 1.00 0.00 C ATOM 588 CD LYS A 37 3.873 8.270 -0.514 1.00 0.00 C ATOM 589 CE LYS A 37 4.000 9.751 -0.830 1.00 0.00 C ATOM 590 NZ LYS A 37 4.871 10.458 0.149 1.00 0.00 N ATOM 0 H LYS A 37 0.583 9.248 3.194 1.00 0.00 H new ATOM 0 HA LYS A 37 2.852 10.414 1.706 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.221 7.947 1.486 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.469 8.777 -0.038 1.00 0.00 H new ATOM 0 HG2 LYS A 37 3.912 8.482 1.622 1.00 0.00 H new ATOM 0 HG3 LYS A 37 3.215 6.974 1.066 1.00 0.00 H new ATOM 0 HD2 LYS A 37 4.856 7.801 -0.561 1.00 0.00 H new ATOM 0 HD3 LYS A 37 3.254 7.788 -1.270 1.00 0.00 H new ATOM 0 HE2 LYS A 37 4.408 9.874 -1.833 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.010 10.208 -0.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 4.340 11.238 0.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 5.177 9.791 0.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 5.706 10.839 -0.341 1.00 0.00 H new ATOM 604 N THR A 38 -0.372 10.877 1.195 1.00 0.00 N ATOM 605 CA THR A 38 -1.336 11.754 0.544 1.00 0.00 C ATOM 606 C THR A 38 -2.714 11.643 1.181 1.00 0.00 C ATOM 607 O THR A 38 -3.340 12.642 1.523 1.00 0.00 O ATOM 608 CB THR A 38 -1.430 11.436 -0.953 1.00 0.00 C ATOM 609 OG1 THR A 38 -0.338 10.639 -1.373 1.00 0.00 O ATOM 610 CG2 THR A 38 -1.454 12.671 -1.827 1.00 0.00 C ATOM 0 H THR A 38 -0.784 10.199 1.836 1.00 0.00 H new ATOM 0 HA THR A 38 -0.983 12.777 0.673 1.00 0.00 H new ATOM 0 HB THR A 38 -2.374 10.904 -1.071 1.00 0.00 H new ATOM 0 HG1 THR A 38 -0.236 10.710 -2.345 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.521 12.375 -2.874 1.00 0.00 H new ATOM 0 HG22 THR A 38 -2.317 13.284 -1.567 1.00 0.00 H new ATOM 0 HG23 THR A 38 -0.541 13.245 -1.671 1.00 0.00 H new ATOM 618 N VAL A 39 -3.187 10.408 1.335 1.00 0.00 N ATOM 619 CA VAL A 39 -4.498 10.151 1.929 1.00 0.00 C ATOM 620 C VAL A 39 -5.617 10.415 0.924 1.00 0.00 C ATOM 621 O VAL A 39 -6.447 11.303 1.121 1.00 0.00 O ATOM 622 CB VAL A 39 -4.741 11.010 3.189 1.00 0.00 C ATOM 623 CG1 VAL A 39 -5.899 10.449 4.002 1.00 0.00 C ATOM 624 CG2 VAL A 39 -3.478 11.098 4.035 1.00 0.00 C ATOM 0 H VAL A 39 -2.681 9.568 1.056 1.00 0.00 H new ATOM 0 HA VAL A 39 -4.506 9.100 2.218 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.004 12.019 2.870 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.056 11.067 4.886 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.804 10.449 3.394 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.668 9.429 4.309 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.673 11.708 4.917 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.177 10.097 4.345 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.679 11.552 3.449 1.00 0.00 H new ATOM 634 N GLU A 40 -5.632 9.638 -0.155 1.00 0.00 N ATOM 635 CA GLU A 40 -6.648 9.786 -1.191 1.00 0.00 C ATOM 636 C GLU A 40 -6.462 8.742 -2.289 1.00 0.00 C ATOM 637 O GLU A 40 -5.406 8.670 -2.917 1.00 0.00 O ATOM 638 CB GLU A 40 -6.594 11.189 -1.791 1.00 0.00 C ATOM 639 CG GLU A 40 -7.778 12.062 -1.408 1.00 0.00 C ATOM 640 CD GLU A 40 -7.368 13.296 -0.632 1.00 0.00 C ATOM 641 OE1 GLU A 40 -6.299 13.867 -0.948 1.00 0.00 O ATOM 642 OE2 GLU A 40 -8.115 13.699 0.283 1.00 0.00 O ATOM 0 H GLU A 40 -4.952 8.899 -0.334 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.624 9.633 -0.731 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.674 11.677 -1.469 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.549 11.109 -2.877 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.308 12.365 -2.311 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.477 11.477 -0.810 1.00 0.00 H new ATOM 649 N GLY A 41 -7.492 7.934 -2.513 1.00 0.00 N ATOM 650 CA GLY A 41 -7.415 6.904 -3.537 1.00 0.00 C ATOM 651 C GLY A 41 -8.395 5.771 -3.303 1.00 0.00 C ATOM 652 O GLY A 41 -9.157 5.789 -2.336 1.00 0.00 O ATOM 0 H GLY A 41 -8.377 7.972 -2.007 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.609 7.351 -4.512 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.402 6.502 -3.567 1.00 0.00 H new ATOM 656 N VAL A 42 -8.364 4.778 -4.185 1.00 0.00 N ATOM 657 CA VAL A 42 -9.243 3.623 -4.071 1.00 0.00 C ATOM 658 C VAL A 42 -8.469 2.416 -3.565 1.00 0.00 C ATOM 659 O VAL A 42 -7.635 1.852 -4.275 1.00 0.00 O ATOM 660 CB VAL A 42 -9.909 3.273 -5.417 1.00 0.00 C ATOM 661 CG1 VAL A 42 -11.029 2.265 -5.212 1.00 0.00 C ATOM 662 CG2 VAL A 42 -10.431 4.530 -6.099 1.00 0.00 C ATOM 0 H VAL A 42 -7.737 4.751 -4.989 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.026 3.885 -3.360 1.00 0.00 H new ATOM 0 HB VAL A 42 -9.159 2.821 -6.066 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.487 2.030 -6.173 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -10.623 1.355 -4.771 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -11.781 2.687 -4.545 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -10.897 4.263 -7.047 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -11.167 5.014 -5.456 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -9.603 5.215 -6.282 1.00 0.00 H new ATOM 672 N TRP A 43 -8.747 2.044 -2.323 1.00 0.00 N ATOM 673 CA TRP A 43 -8.096 0.930 -1.675 1.00 0.00 C ATOM 674 C TRP A 43 -8.514 -0.401 -2.299 1.00 0.00 C ATOM 675 O TRP A 43 -9.645 -0.854 -2.116 1.00 0.00 O ATOM 676 CB TRP A 43 -8.474 0.961 -0.199 1.00 0.00 C ATOM 677 CG TRP A 43 -7.464 1.654 0.677 1.00 0.00 C ATOM 678 CD1 TRP A 43 -7.296 3.007 0.802 1.00 0.00 C ATOM 679 CD2 TRP A 43 -6.484 1.050 1.546 1.00 0.00 C ATOM 680 NE1 TRP A 43 -6.288 3.281 1.688 1.00 0.00 N ATOM 681 CE2 TRP A 43 -5.775 2.105 2.158 1.00 0.00 C ATOM 682 CE3 TRP A 43 -6.136 -0.271 1.873 1.00 0.00 C ATOM 683 CZ2 TRP A 43 -4.748 1.888 3.069 1.00 0.00 C ATOM 684 CZ3 TRP A 43 -5.095 -0.482 2.795 1.00 0.00 C ATOM 685 CH2 TRP A 43 -4.423 0.599 3.374 1.00 0.00 C ATOM 0 H TRP A 43 -9.437 2.515 -1.738 1.00 0.00 H new ATOM 0 HA TRP A 43 -7.017 1.018 -1.799 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -9.437 1.461 -0.091 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -8.605 -0.062 0.154 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -7.876 3.752 0.277 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -5.971 4.213 1.954 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -6.656 -1.106 1.427 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -4.223 2.716 3.522 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -4.812 -1.490 3.059 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -3.628 0.409 4.079 1.00 0.00 H new ATOM 696 N THR A 44 -7.594 -1.025 -3.024 1.00 0.00 N ATOM 697 CA THR A 44 -7.862 -2.307 -3.666 1.00 0.00 C ATOM 698 C THR A 44 -6.794 -3.324 -3.280 1.00 0.00 C ATOM 699 O THR A 44 -5.675 -2.950 -2.941 1.00 0.00 O ATOM 700 CB THR A 44 -7.906 -2.146 -5.187 1.00 0.00 C ATOM 701 OG1 THR A 44 -6.663 -1.674 -5.675 1.00 0.00 O ATOM 702 CG2 THR A 44 -8.977 -1.187 -5.656 1.00 0.00 C ATOM 0 H THR A 44 -6.653 -0.664 -3.183 1.00 0.00 H new ATOM 0 HA THR A 44 -8.833 -2.667 -3.325 1.00 0.00 H new ATOM 0 HB THR A 44 -8.134 -3.138 -5.577 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.709 -1.579 -6.649 1.00 0.00 H new ATOM 0 HG21 THR A 44 -8.954 -1.119 -6.744 1.00 0.00 H new ATOM 0 HG22 THR A 44 -9.954 -1.548 -5.336 1.00 0.00 H new ATOM 0 HG23 THR A 44 -8.796 -0.201 -5.227 1.00 0.00 H new ATOM 710 N TYR A 45 -7.140 -4.606 -3.328 1.00 0.00 N ATOM 711 CA TYR A 45 -6.188 -5.660 -2.979 1.00 0.00 C ATOM 712 C TYR A 45 -6.365 -6.886 -3.872 1.00 0.00 C ATOM 713 O TYR A 45 -7.484 -7.240 -4.246 1.00 0.00 O ATOM 714 CB TYR A 45 -6.316 -6.040 -1.491 1.00 0.00 C ATOM 715 CG TYR A 45 -5.959 -7.478 -1.173 1.00 0.00 C ATOM 716 CD1 TYR A 45 -6.853 -8.510 -1.433 1.00 0.00 C ATOM 717 CD2 TYR A 45 -4.731 -7.799 -0.611 1.00 0.00 C ATOM 718 CE1 TYR A 45 -6.532 -9.822 -1.140 1.00 0.00 C ATOM 719 CE2 TYR A 45 -4.402 -9.110 -0.317 1.00 0.00 C ATOM 720 CZ TYR A 45 -5.305 -10.116 -0.583 1.00 0.00 C ATOM 721 OH TYR A 45 -4.982 -11.421 -0.291 1.00 0.00 O ATOM 0 H TYR A 45 -8.064 -4.941 -3.602 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.184 -5.271 -3.147 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.674 -5.382 -0.905 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.341 -5.854 -1.169 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -7.814 -8.283 -1.871 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -4.021 -7.013 -0.400 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -7.238 -10.613 -1.346 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -3.442 -9.344 0.119 1.00 0.00 H new ATOM 0 HH TYR A 45 -5.791 -11.973 -0.323 1.00 0.00 H new ATOM 731 N LYS A 46 -5.249 -7.530 -4.198 1.00 0.00 N ATOM 732 CA LYS A 46 -5.266 -8.723 -5.037 1.00 0.00 C ATOM 733 C LYS A 46 -4.659 -9.909 -4.293 1.00 0.00 C ATOM 734 O LYS A 46 -3.667 -9.763 -3.578 1.00 0.00 O ATOM 735 CB LYS A 46 -4.499 -8.475 -6.339 1.00 0.00 C ATOM 736 CG LYS A 46 -4.837 -7.148 -7.000 1.00 0.00 C ATOM 737 CD LYS A 46 -5.779 -7.335 -8.178 1.00 0.00 C ATOM 738 CE LYS A 46 -5.122 -8.113 -9.297 1.00 0.00 C ATOM 739 NZ LYS A 46 -5.158 -7.366 -10.585 1.00 0.00 N ATOM 0 H LYS A 46 -4.319 -7.245 -3.893 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.303 -8.954 -5.279 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.429 -8.507 -6.133 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -4.713 -9.284 -7.037 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -5.296 -6.483 -6.268 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.920 -6.666 -7.339 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -6.676 -7.858 -7.848 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -6.097 -6.361 -8.549 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.087 -8.329 -9.031 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.627 -9.071 -9.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.698 -7.931 -11.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -6.146 -7.182 -10.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.655 -6.462 -10.476 1.00 0.00 H new ATOM 753 N ASP A 47 -5.263 -11.081 -4.464 1.00 0.00 N ATOM 754 CA ASP A 47 -4.783 -12.291 -3.803 1.00 0.00 C ATOM 755 C ASP A 47 -3.657 -12.955 -4.598 1.00 0.00 C ATOM 756 O ASP A 47 -3.087 -13.953 -4.157 1.00 0.00 O ATOM 757 CB ASP A 47 -5.934 -13.280 -3.615 1.00 0.00 C ATOM 758 CG ASP A 47 -6.720 -13.017 -2.345 1.00 0.00 C ATOM 759 OD1 ASP A 47 -6.217 -13.355 -1.254 1.00 0.00 O ATOM 760 OD2 ASP A 47 -7.840 -12.473 -2.443 1.00 0.00 O ATOM 0 H ASP A 47 -6.084 -11.219 -5.053 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.387 -12.002 -2.829 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.604 -13.221 -4.473 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.537 -14.295 -3.590 1.00 0.00 H new ATOM 765 N GLU A 48 -3.342 -12.405 -5.770 1.00 0.00 N ATOM 766 CA GLU A 48 -2.283 -12.967 -6.610 1.00 0.00 C ATOM 767 C GLU A 48 -0.985 -13.137 -5.820 1.00 0.00 C ATOM 768 O GLU A 48 -0.240 -14.090 -6.038 1.00 0.00 O ATOM 769 CB GLU A 48 -2.019 -12.101 -7.860 1.00 0.00 C ATOM 770 CG GLU A 48 -3.245 -11.832 -8.729 1.00 0.00 C ATOM 771 CD GLU A 48 -4.488 -12.585 -8.292 1.00 0.00 C ATOM 772 OE1 GLU A 48 -4.443 -13.831 -8.235 1.00 0.00 O ATOM 773 OE2 GLU A 48 -5.506 -11.925 -7.998 1.00 0.00 O ATOM 0 H GLU A 48 -3.799 -11.579 -6.157 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.631 -13.946 -6.939 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.602 -11.146 -7.540 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.261 -12.592 -8.470 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.458 -10.763 -8.718 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.013 -12.101 -9.760 1.00 0.00 H new ATOM 780 N ILE A 49 -0.726 -12.212 -4.902 1.00 0.00 N ATOM 781 CA ILE A 49 0.481 -12.263 -4.080 1.00 0.00 C ATOM 782 C ILE A 49 0.392 -11.292 -2.906 1.00 0.00 C ATOM 783 O ILE A 49 1.402 -10.745 -2.465 1.00 0.00 O ATOM 784 CB ILE A 49 1.749 -11.935 -4.898 1.00 0.00 C ATOM 785 CG1 ILE A 49 1.480 -10.787 -5.875 1.00 0.00 C ATOM 786 CG2 ILE A 49 2.240 -13.167 -5.636 1.00 0.00 C ATOM 787 CD1 ILE A 49 2.454 -9.638 -5.733 1.00 0.00 C ATOM 0 H ILE A 49 -1.335 -11.417 -4.707 1.00 0.00 H new ATOM 0 HA ILE A 49 0.554 -13.284 -3.707 1.00 0.00 H new ATOM 0 HB ILE A 49 2.530 -11.617 -4.208 1.00 0.00 H new ATOM 0 HG12 ILE A 49 1.526 -11.169 -6.895 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.467 -10.416 -5.719 1.00 0.00 H new ATOM 0 HG21 ILE A 49 3.134 -12.917 -6.207 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.476 -13.952 -4.917 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.463 -13.519 -6.315 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.206 -8.860 -6.455 1.00 0.00 H new ATOM 0 HD12 ILE A 49 2.392 -9.231 -4.724 1.00 0.00 H new ATOM 0 HD13 ILE A 49 3.467 -9.995 -5.918 1.00 0.00 H new ATOM 799 N LYS A 50 -0.821 -11.082 -2.404 1.00 0.00 N ATOM 800 CA LYS A 50 -1.036 -10.175 -1.281 1.00 0.00 C ATOM 801 C LYS A 50 -0.501 -8.781 -1.596 1.00 0.00 C ATOM 802 O LYS A 50 0.620 -8.434 -1.222 1.00 0.00 O ATOM 803 CB LYS A 50 -0.359 -10.719 -0.020 1.00 0.00 C ATOM 804 CG LYS A 50 -0.674 -12.179 0.256 1.00 0.00 C ATOM 805 CD LYS A 50 -1.993 -12.335 0.993 1.00 0.00 C ATOM 806 CE LYS A 50 -2.441 -13.788 1.034 1.00 0.00 C ATOM 807 NZ LYS A 50 -2.111 -14.436 2.333 1.00 0.00 N ATOM 0 H LYS A 50 -1.669 -11.527 -2.756 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.110 -10.103 -1.107 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.720 -10.601 -0.117 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.670 -10.120 0.836 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.715 -12.728 -0.685 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.129 -12.620 0.847 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.890 -11.956 2.010 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.758 -11.731 0.504 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.517 -13.841 0.865 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.964 -14.338 0.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.433 -15.425 2.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.082 -14.409 2.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.587 -13.928 3.105 1.00 0.00 H new ATOM 821 N THR A 51 -1.309 -7.983 -2.288 1.00 0.00 N ATOM 822 CA THR A 51 -0.905 -6.631 -2.650 1.00 0.00 C ATOM 823 C THR A 51 -2.099 -5.687 -2.687 1.00 0.00 C ATOM 824 O THR A 51 -3.145 -6.010 -3.250 1.00 0.00 O ATOM 825 CB THR A 51 -0.196 -6.635 -4.007 1.00 0.00 C ATOM 826 OG1 THR A 51 0.955 -7.459 -3.966 1.00 0.00 O ATOM 827 CG2 THR A 51 0.240 -5.261 -4.464 1.00 0.00 C ATOM 0 H THR A 51 -2.241 -8.248 -2.607 1.00 0.00 H new ATOM 0 HA THR A 51 -0.215 -6.273 -1.886 1.00 0.00 H new ATOM 0 HB THR A 51 -0.933 -7.015 -4.715 1.00 0.00 H new ATOM 0 HG1 THR A 51 1.558 -7.215 -4.699 1.00 0.00 H new ATOM 0 HG21 THR A 51 0.735 -5.340 -5.432 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.632 -4.614 -4.554 1.00 0.00 H new ATOM 0 HG23 THR A 51 0.932 -4.838 -3.736 1.00 0.00 H new ATOM 835 N PHE A 52 -1.929 -4.516 -2.085 1.00 0.00 N ATOM 836 CA PHE A 52 -2.983 -3.510 -2.044 1.00 0.00 C ATOM 837 C PHE A 52 -2.606 -2.306 -2.900 1.00 0.00 C ATOM 838 O PHE A 52 -1.434 -2.092 -3.200 1.00 0.00 O ATOM 839 CB PHE A 52 -3.246 -3.060 -0.603 1.00 0.00 C ATOM 840 CG PHE A 52 -3.198 -4.175 0.405 1.00 0.00 C ATOM 841 CD1 PHE A 52 -1.994 -4.772 0.744 1.00 0.00 C ATOM 842 CD2 PHE A 52 -4.359 -4.624 1.016 1.00 0.00 C ATOM 843 CE1 PHE A 52 -1.949 -5.795 1.671 1.00 0.00 C ATOM 844 CE2 PHE A 52 -4.319 -5.647 1.943 1.00 0.00 C ATOM 845 CZ PHE A 52 -3.113 -6.234 2.273 1.00 0.00 C ATOM 0 H PHE A 52 -1.066 -4.239 -1.616 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.893 -3.958 -2.444 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.509 -2.305 -0.329 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.225 -2.583 -0.555 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.080 -4.433 0.278 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.305 -4.169 0.764 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.004 -6.252 1.925 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.231 -5.988 2.410 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.080 -7.033 2.999 1.00 0.00 H new ATOM 855 N THR A 53 -3.603 -1.522 -3.293 1.00 0.00 N ATOM 856 CA THR A 53 -3.356 -0.343 -4.111 1.00 0.00 C ATOM 857 C THR A 53 -4.343 0.771 -3.776 1.00 0.00 C ATOM 858 O THR A 53 -5.455 0.515 -3.315 1.00 0.00 O ATOM 859 CB THR A 53 -3.446 -0.701 -5.601 1.00 0.00 C ATOM 860 OG1 THR A 53 -2.458 -1.654 -5.947 1.00 0.00 O ATOM 861 CG2 THR A 53 -3.291 0.486 -6.540 1.00 0.00 C ATOM 0 H THR A 53 -4.583 -1.680 -3.060 1.00 0.00 H new ATOM 0 HA THR A 53 -2.350 0.016 -3.893 1.00 0.00 H new ATOM 0 HB THR A 53 -4.452 -1.100 -5.729 1.00 0.00 H new ATOM 0 HG1 THR A 53 -2.532 -1.871 -6.900 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.367 0.145 -7.573 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.077 1.214 -6.339 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.318 0.950 -6.382 1.00 0.00 H new ATOM 869 N VAL A 54 -3.930 2.009 -4.026 1.00 0.00 N ATOM 870 CA VAL A 54 -4.777 3.168 -3.771 1.00 0.00 C ATOM 871 C VAL A 54 -4.725 4.131 -4.959 1.00 0.00 C ATOM 872 O VAL A 54 -3.758 4.869 -5.144 1.00 0.00 O ATOM 873 CB VAL A 54 -4.383 3.879 -2.444 1.00 0.00 C ATOM 874 CG1 VAL A 54 -3.422 5.042 -2.665 1.00 0.00 C ATOM 875 CG2 VAL A 54 -5.631 4.353 -1.717 1.00 0.00 C ATOM 0 H VAL A 54 -3.011 2.236 -4.406 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.804 2.823 -3.654 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.858 3.148 -1.829 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.181 5.502 -1.707 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.508 4.675 -3.132 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.890 5.782 -3.315 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.345 4.849 -0.790 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.177 5.053 -2.350 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.267 3.497 -1.490 1.00 0.00 H new ATOM 885 N THR A 55 -5.765 4.097 -5.785 1.00 0.00 N ATOM 886 CA THR A 55 -5.827 4.952 -6.967 1.00 0.00 C ATOM 887 C THR A 55 -6.711 6.172 -6.728 1.00 0.00 C ATOM 888 O THR A 55 -7.880 6.045 -6.365 1.00 0.00 O ATOM 889 CB THR A 55 -6.350 4.159 -8.166 1.00 0.00 C ATOM 890 OG1 THR A 55 -5.556 3.006 -8.389 1.00 0.00 O ATOM 891 CG2 THR A 55 -6.368 4.958 -9.450 1.00 0.00 C ATOM 0 H THR A 55 -6.574 3.489 -5.660 1.00 0.00 H new ATOM 0 HA THR A 55 -4.816 5.302 -7.177 1.00 0.00 H new ATOM 0 HB THR A 55 -7.375 3.890 -7.910 1.00 0.00 H new ATOM 0 HG1 THR A 55 -5.907 2.511 -9.159 1.00 0.00 H new ATOM 0 HG21 THR A 55 -6.750 4.336 -10.260 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.011 5.829 -9.327 1.00 0.00 H new ATOM 0 HG23 THR A 55 -5.356 5.285 -9.689 1.00 0.00 H new ATOM 899 N GLU A 56 -6.144 7.357 -6.941 1.00 0.00 N ATOM 900 CA GLU A 56 -6.880 8.603 -6.755 1.00 0.00 C ATOM 901 C GLU A 56 -7.323 9.176 -8.097 1.00 0.00 C ATOM 902 O GLU A 56 -8.467 9.667 -8.178 1.00 0.00 O ATOM 903 CB GLU A 56 -6.020 9.618 -6.007 1.00 0.00 C ATOM 904 CG GLU A 56 -6.722 10.948 -5.760 1.00 0.00 C ATOM 905 CD GLU A 56 -5.752 12.108 -5.639 1.00 0.00 C ATOM 906 OE1 GLU A 56 -5.118 12.462 -6.653 1.00 0.00 O ATOM 907 OE2 GLU A 56 -5.626 12.655 -4.522 1.00 0.00 O ATOM 908 OXT GLU A 56 -6.522 9.120 -9.051 1.00 0.00 O ATOM 0 H GLU A 56 -5.177 7.480 -7.242 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.770 8.389 -6.163 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.720 9.192 -5.050 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.108 9.798 -6.576 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.417 11.144 -6.576 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.314 10.878 -4.847 1.00 0.00 H new TER 915 GLU A 56