USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 410 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: B 27 THR OG1 : rot -162:sc= 0.772 USER MOD Set 1.2: B 31 LYS NZ :NH3+ 178:sc= 1.26 (180deg=0.465) USER MOD Set 2.1: A 1 GLY N :NH3+ -168:sc= 1.65 (180deg=0.752) USER MOD Set 2.2: A 5 GLN : amide:sc= 0.662 K(o=2.3,f=-2.5) USER MOD Single : A 8 THR OG1 : rot -56:sc= 1.2 USER MOD Single : A 9 SER OG : rot 180:sc= 0.0135 USER MOD Single : A 12 SER OG : rot 180:sc= 0.132 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.0771 X(o=-0.077,f=-0.077) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : B 1 PHE N :NH3+ -119:sc= 0.102 (180deg=0) USER MOD Single : B 3 ASN : amide:sc=-0.00797 K(o=-0.008,f=-0.84) USER MOD Single : B 4 GLN : amide:sc= 0.839 K(o=0.84,f=0) USER MOD Single : B 5 HIS : no HE2:sc= -0.061 X(o=-0.061,f=-0.13) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= -0.0277 X(o=-0.028,f=-0.028) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0.284 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.555 -2.219 3.527 1.00 0.00 N ATOM 2 CA GLY A 1 9.640 -3.380 3.460 1.00 0.00 C ATOM 3 C GLY A 1 10.195 -4.486 2.575 1.00 0.00 C ATOM 4 O GLY A 1 11.202 -4.286 1.900 1.00 0.00 O ATOM 0 H1 GLY A 1 10.249 -1.579 4.288 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.522 -2.550 3.721 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.538 -1.711 2.620 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.471 -3.768 4.464 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.672 -3.058 3.076 1.00 0.00 H new ATOM 10 N ILE A 2 9.540 -5.657 2.566 1.00 0.00 N ATOM 11 CA ILE A 2 9.956 -6.910 1.891 1.00 0.00 C ATOM 12 C ILE A 2 10.692 -6.712 0.554 1.00 0.00 C ATOM 13 O ILE A 2 11.814 -7.193 0.392 1.00 0.00 O ATOM 14 CB ILE A 2 8.741 -7.878 1.744 1.00 0.00 C ATOM 15 CG1 ILE A 2 9.111 -9.114 0.885 1.00 0.00 C ATOM 16 CG2 ILE A 2 7.463 -7.206 1.199 1.00 0.00 C ATOM 17 CD1 ILE A 2 8.024 -10.188 0.822 1.00 0.00 C ATOM 0 H ILE A 2 8.653 -5.768 3.057 1.00 0.00 H new ATOM 0 HA ILE A 2 10.702 -7.364 2.543 1.00 0.00 H new ATOM 0 HB ILE A 2 8.505 -8.200 2.758 1.00 0.00 H new ATOM 0 HG12 ILE A 2 9.336 -8.782 -0.129 1.00 0.00 H new ATOM 0 HG13 ILE A 2 10.022 -9.559 1.285 1.00 0.00 H new ATOM 0 HG21 ILE A 2 6.666 -7.946 1.127 1.00 0.00 H new ATOM 0 HG22 ILE A 2 7.156 -6.407 1.874 1.00 0.00 H new ATOM 0 HG23 ILE A 2 7.663 -6.791 0.211 1.00 0.00 H new ATOM 0 HD11 ILE A 2 8.366 -11.016 0.201 1.00 0.00 H new ATOM 0 HD12 ILE A 2 7.813 -10.552 1.828 1.00 0.00 H new ATOM 0 HD13 ILE A 2 7.117 -9.763 0.392 1.00 0.00 H new ATOM 29 N VAL A 3 10.086 -5.990 -0.390 1.00 0.00 N ATOM 30 CA VAL A 3 10.630 -5.802 -1.752 1.00 0.00 C ATOM 31 C VAL A 3 11.865 -4.897 -1.822 1.00 0.00 C ATOM 32 O VAL A 3 12.583 -4.912 -2.820 1.00 0.00 O ATOM 33 CB VAL A 3 9.560 -5.334 -2.753 1.00 0.00 C ATOM 34 CG1 VAL A 3 8.526 -6.441 -3.004 1.00 0.00 C ATOM 35 CG2 VAL A 3 8.831 -4.055 -2.318 1.00 0.00 C ATOM 0 H VAL A 3 9.197 -5.513 -0.238 1.00 0.00 H new ATOM 0 HA VAL A 3 10.964 -6.798 -2.043 1.00 0.00 H new ATOM 0 HB VAL A 3 10.100 -5.105 -3.672 1.00 0.00 H new ATOM 0 HG11 VAL A 3 7.779 -6.087 -3.715 1.00 0.00 H new ATOM 0 HG12 VAL A 3 9.026 -7.320 -3.410 1.00 0.00 H new ATOM 0 HG13 VAL A 3 8.038 -6.702 -2.065 1.00 0.00 H new ATOM 0 HG21 VAL A 3 8.091 -3.784 -3.071 1.00 0.00 H new ATOM 0 HG22 VAL A 3 8.332 -4.227 -1.364 1.00 0.00 H new ATOM 0 HG23 VAL A 3 9.552 -3.245 -2.209 1.00 0.00 H new ATOM 45 N GLU A 4 12.146 -4.133 -0.764 1.00 0.00 N ATOM 46 CA GLU A 4 13.323 -3.271 -0.653 1.00 0.00 C ATOM 47 C GLU A 4 14.485 -3.963 0.061 1.00 0.00 C ATOM 48 O GLU A 4 15.635 -3.733 -0.308 1.00 0.00 O ATOM 49 CB GLU A 4 12.972 -1.980 0.103 1.00 0.00 C ATOM 50 CG GLU A 4 11.901 -1.132 -0.588 1.00 0.00 C ATOM 51 CD GLU A 4 11.398 -0.023 0.351 1.00 0.00 C ATOM 52 OE1 GLU A 4 10.718 -0.350 1.354 1.00 0.00 O ATOM 53 OE2 GLU A 4 11.678 1.176 0.103 1.00 0.00 O ATOM 0 H GLU A 4 11.545 -4.096 0.060 1.00 0.00 H new ATOM 0 HA GLU A 4 13.638 -3.039 -1.670 1.00 0.00 H new ATOM 0 HB2 GLU A 4 12.628 -2.238 1.104 1.00 0.00 H new ATOM 0 HB3 GLU A 4 13.876 -1.382 0.221 1.00 0.00 H new ATOM 0 HG2 GLU A 4 12.310 -0.689 -1.496 1.00 0.00 H new ATOM 0 HG3 GLU A 4 11.067 -1.766 -0.890 1.00 0.00 H new ATOM 60 N GLN A 5 14.221 -4.834 1.044 1.00 0.00 N ATOM 61 CA GLN A 5 15.276 -5.407 1.899 1.00 0.00 C ATOM 62 C GLN A 5 16.336 -6.179 1.092 1.00 0.00 C ATOM 63 O GLN A 5 17.530 -6.078 1.380 1.00 0.00 O ATOM 64 CB GLN A 5 14.691 -6.358 2.959 1.00 0.00 C ATOM 65 CG GLN A 5 13.579 -5.802 3.864 1.00 0.00 C ATOM 66 CD GLN A 5 13.857 -4.420 4.452 1.00 0.00 C ATOM 67 OE1 GLN A 5 13.160 -3.451 4.184 1.00 0.00 O ATOM 68 NE2 GLN A 5 14.863 -4.269 5.286 1.00 0.00 N ATOM 0 H GLN A 5 13.281 -5.160 1.270 1.00 0.00 H new ATOM 0 HA GLN A 5 15.751 -4.555 2.384 1.00 0.00 H new ATOM 0 HB2 GLN A 5 14.301 -7.237 2.446 1.00 0.00 H new ATOM 0 HB3 GLN A 5 15.508 -6.697 3.596 1.00 0.00 H new ATOM 0 HG2 GLN A 5 12.653 -5.757 3.291 1.00 0.00 H new ATOM 0 HG3 GLN A 5 13.413 -6.502 4.683 1.00 0.00 H new ATOM 0 HE21 GLN A 5 15.455 -5.066 5.521 1.00 0.00 H new ATOM 0 HE22 GLN A 5 15.051 -3.355 5.698 1.00 0.00 H new ATOM 77 N CYS A 6 15.895 -6.912 0.061 1.00 0.00 N ATOM 78 CA CYS A 6 16.751 -7.708 -0.824 1.00 0.00 C ATOM 79 C CYS A 6 17.120 -6.995 -2.139 1.00 0.00 C ATOM 80 O CYS A 6 18.036 -7.437 -2.838 1.00 0.00 O ATOM 81 CB CYS A 6 16.074 -9.058 -1.073 1.00 0.00 C ATOM 82 SG CYS A 6 15.641 -9.984 0.428 1.00 0.00 S ATOM 0 H CYS A 6 14.907 -6.968 -0.186 1.00 0.00 H new ATOM 0 HA CYS A 6 17.707 -7.858 -0.323 1.00 0.00 H new ATOM 0 HB2 CYS A 6 15.167 -8.892 -1.654 1.00 0.00 H new ATOM 0 HB3 CYS A 6 16.735 -9.673 -1.684 1.00 0.00 H new ATOM 87 N CYS A 7 16.438 -5.895 -2.483 1.00 0.00 N ATOM 88 CA CYS A 7 16.752 -5.090 -3.666 1.00 0.00 C ATOM 89 C CYS A 7 17.801 -3.998 -3.365 1.00 0.00 C ATOM 90 O CYS A 7 18.658 -3.707 -4.206 1.00 0.00 O ATOM 91 CB CYS A 7 15.431 -4.543 -4.233 1.00 0.00 C ATOM 92 SG CYS A 7 15.576 -3.708 -5.833 1.00 0.00 S ATOM 0 H CYS A 7 15.649 -5.538 -1.944 1.00 0.00 H new ATOM 0 HA CYS A 7 17.226 -5.708 -4.429 1.00 0.00 H new ATOM 0 HB2 CYS A 7 14.726 -5.368 -4.333 1.00 0.00 H new ATOM 0 HB3 CYS A 7 15.005 -3.845 -3.513 1.00 0.00 H new ATOM 97 N THR A 8 17.778 -3.428 -2.152 1.00 0.00 N ATOM 98 CA THR A 8 18.731 -2.401 -1.673 1.00 0.00 C ATOM 99 C THR A 8 19.952 -2.972 -0.927 1.00 0.00 C ATOM 100 O THR A 8 20.962 -2.277 -0.791 1.00 0.00 O ATOM 101 CB THR A 8 18.036 -1.353 -0.781 1.00 0.00 C ATOM 102 OG1 THR A 8 17.572 -1.924 0.422 1.00 0.00 O ATOM 103 CG2 THR A 8 16.849 -0.686 -1.476 1.00 0.00 C ATOM 0 H THR A 8 17.077 -3.672 -1.452 1.00 0.00 H new ATOM 0 HA THR A 8 19.102 -1.928 -2.582 1.00 0.00 H new ATOM 0 HB THR A 8 18.796 -0.600 -0.572 1.00 0.00 H new ATOM 0 HG1 THR A 8 16.980 -2.678 0.219 1.00 0.00 H new ATOM 0 HG21 THR A 8 16.396 0.043 -0.804 1.00 0.00 H new ATOM 0 HG22 THR A 8 17.193 -0.182 -2.379 1.00 0.00 H new ATOM 0 HG23 THR A 8 16.111 -1.443 -1.741 1.00 0.00 H new ATOM 111 N SER A 9 19.886 -4.225 -0.462 1.00 0.00 N ATOM 112 CA SER A 9 20.984 -4.947 0.207 1.00 0.00 C ATOM 113 C SER A 9 20.911 -6.456 -0.073 1.00 0.00 C ATOM 114 O SER A 9 19.964 -6.940 -0.697 1.00 0.00 O ATOM 115 CB SER A 9 20.947 -4.686 1.715 1.00 0.00 C ATOM 116 OG SER A 9 22.209 -5.002 2.286 1.00 0.00 O ATOM 0 H SER A 9 19.039 -4.787 -0.542 1.00 0.00 H new ATOM 0 HA SER A 9 21.926 -4.575 -0.196 1.00 0.00 H new ATOM 0 HB2 SER A 9 20.701 -3.642 1.907 1.00 0.00 H new ATOM 0 HB3 SER A 9 20.166 -5.288 2.179 1.00 0.00 H new ATOM 0 HG SER A 9 22.183 -4.832 3.251 1.00 0.00 H new ATOM 122 N ILE A 10 21.911 -7.218 0.371 1.00 0.00 N ATOM 123 CA ILE A 10 22.019 -8.667 0.118 1.00 0.00 C ATOM 124 C ILE A 10 21.104 -9.499 1.034 1.00 0.00 C ATOM 125 O ILE A 10 20.910 -9.172 2.209 1.00 0.00 O ATOM 126 CB ILE A 10 23.486 -9.147 0.169 1.00 0.00 C ATOM 127 CG1 ILE A 10 24.175 -8.832 1.519 1.00 0.00 C ATOM 128 CG2 ILE A 10 24.264 -8.573 -1.028 1.00 0.00 C ATOM 129 CD1 ILE A 10 25.632 -9.304 1.621 1.00 0.00 C ATOM 0 H ILE A 10 22.683 -6.847 0.925 1.00 0.00 H new ATOM 0 HA ILE A 10 21.661 -8.833 -0.898 1.00 0.00 H new ATOM 0 HB ILE A 10 23.485 -10.234 0.094 1.00 0.00 H new ATOM 0 HG12 ILE A 10 24.144 -7.755 1.685 1.00 0.00 H new ATOM 0 HG13 ILE A 10 23.600 -9.295 2.321 1.00 0.00 H new ATOM 0 HG21 ILE A 10 25.298 -8.915 -0.987 1.00 0.00 H new ATOM 0 HG22 ILE A 10 23.806 -8.913 -1.957 1.00 0.00 H new ATOM 0 HG23 ILE A 10 24.240 -7.484 -0.989 1.00 0.00 H new ATOM 0 HD11 ILE A 10 26.032 -9.040 2.600 1.00 0.00 H new ATOM 0 HD12 ILE A 10 25.674 -10.385 1.491 1.00 0.00 H new ATOM 0 HD13 ILE A 10 26.226 -8.822 0.845 1.00 0.00 H new ATOM 141 N CYS A 11 20.574 -10.604 0.499 1.00 0.00 N ATOM 142 CA CYS A 11 19.724 -11.568 1.202 1.00 0.00 C ATOM 143 C CYS A 11 20.192 -13.019 1.018 1.00 0.00 C ATOM 144 O CYS A 11 20.790 -13.383 0.001 1.00 0.00 O ATOM 145 CB CYS A 11 18.274 -11.414 0.727 1.00 0.00 C ATOM 146 SG CYS A 11 17.383 -10.032 1.480 1.00 0.00 S ATOM 0 H CYS A 11 20.733 -10.861 -0.475 1.00 0.00 H new ATOM 0 HA CYS A 11 19.795 -11.350 2.268 1.00 0.00 H new ATOM 0 HB2 CYS A 11 18.271 -11.286 -0.355 1.00 0.00 H new ATOM 0 HB3 CYS A 11 17.735 -12.337 0.940 1.00 0.00 H new ATOM 151 N SER A 12 19.865 -13.847 2.012 1.00 0.00 N ATOM 152 CA SER A 12 20.062 -15.301 2.058 1.00 0.00 C ATOM 153 C SER A 12 18.721 -16.048 2.030 1.00 0.00 C ATOM 154 O SER A 12 17.653 -15.436 2.128 1.00 0.00 O ATOM 155 CB SER A 12 20.832 -15.644 3.339 1.00 0.00 C ATOM 156 OG SER A 12 19.996 -15.458 4.471 1.00 0.00 O ATOM 0 H SER A 12 19.426 -13.498 2.864 1.00 0.00 H new ATOM 0 HA SER A 12 20.627 -15.614 1.180 1.00 0.00 H new ATOM 0 HB2 SER A 12 21.180 -16.676 3.299 1.00 0.00 H new ATOM 0 HB3 SER A 12 21.717 -15.012 3.422 1.00 0.00 H new ATOM 0 HG SER A 12 20.494 -15.681 5.285 1.00 0.00 H new ATOM 162 N LEU A 13 18.766 -17.385 1.987 1.00 0.00 N ATOM 163 CA LEU A 13 17.588 -18.244 2.181 1.00 0.00 C ATOM 164 C LEU A 13 16.874 -17.931 3.510 1.00 0.00 C ATOM 165 O LEU A 13 15.649 -17.910 3.579 1.00 0.00 O ATOM 166 CB LEU A 13 18.014 -19.726 2.153 1.00 0.00 C ATOM 167 CG LEU A 13 18.838 -20.166 0.928 1.00 0.00 C ATOM 168 CD1 LEU A 13 19.117 -21.669 1.006 1.00 0.00 C ATOM 169 CD2 LEU A 13 18.142 -19.871 -0.396 1.00 0.00 C ATOM 0 H LEU A 13 19.626 -17.906 1.816 1.00 0.00 H new ATOM 0 HA LEU A 13 16.888 -18.046 1.369 1.00 0.00 H new ATOM 0 HB2 LEU A 13 18.595 -19.934 3.051 1.00 0.00 H new ATOM 0 HB3 LEU A 13 17.117 -20.343 2.204 1.00 0.00 H new ATOM 0 HG LEU A 13 19.764 -19.591 0.953 1.00 0.00 H new ATOM 0 HD11 LEU A 13 19.700 -21.976 0.138 1.00 0.00 H new ATOM 0 HD12 LEU A 13 19.677 -21.888 1.915 1.00 0.00 H new ATOM 0 HD13 LEU A 13 18.173 -22.214 1.021 1.00 0.00 H new ATOM 0 HD21 LEU A 13 18.772 -20.204 -1.221 1.00 0.00 H new ATOM 0 HD22 LEU A 13 17.189 -20.399 -0.432 1.00 0.00 H new ATOM 0 HD23 LEU A 13 17.966 -18.799 -0.484 1.00 0.00 H new ATOM 181 N TYR A 14 17.638 -17.609 4.557 1.00 0.00 N ATOM 182 CA TYR A 14 17.141 -17.320 5.904 1.00 0.00 C ATOM 183 C TYR A 14 16.486 -15.930 5.999 1.00 0.00 C ATOM 184 O TYR A 14 15.492 -15.761 6.705 1.00 0.00 O ATOM 185 CB TYR A 14 18.305 -17.470 6.898 1.00 0.00 C ATOM 186 CG TYR A 14 19.047 -18.794 6.790 1.00 0.00 C ATOM 187 CD1 TYR A 14 18.575 -19.923 7.487 1.00 0.00 C ATOM 188 CD2 TYR A 14 20.187 -18.906 5.965 1.00 0.00 C ATOM 189 CE1 TYR A 14 19.241 -21.159 7.368 1.00 0.00 C ATOM 190 CE2 TYR A 14 20.853 -20.140 5.843 1.00 0.00 C ATOM 191 CZ TYR A 14 20.382 -21.270 6.545 1.00 0.00 C ATOM 192 OH TYR A 14 21.012 -22.472 6.438 1.00 0.00 O ATOM 0 H TYR A 14 18.653 -17.540 4.488 1.00 0.00 H new ATOM 0 HA TYR A 14 16.355 -18.033 6.152 1.00 0.00 H new ATOM 0 HB2 TYR A 14 19.012 -16.656 6.739 1.00 0.00 H new ATOM 0 HB3 TYR A 14 17.919 -17.364 7.912 1.00 0.00 H new ATOM 0 HD1 TYR A 14 17.700 -19.841 8.115 1.00 0.00 H new ATOM 0 HD2 TYR A 14 20.549 -18.043 5.426 1.00 0.00 H new ATOM 0 HE1 TYR A 14 18.878 -22.022 7.907 1.00 0.00 H new ATOM 0 HE2 TYR A 14 21.725 -20.222 5.212 1.00 0.00 H new ATOM 0 HH TYR A 14 21.779 -22.387 5.834 1.00 0.00 H new ATOM 202 N GLN A 15 16.980 -14.946 5.233 1.00 0.00 N ATOM 203 CA GLN A 15 16.311 -13.648 5.060 1.00 0.00 C ATOM 204 C GLN A 15 15.017 -13.767 4.233 1.00 0.00 C ATOM 205 O GLN A 15 14.092 -12.982 4.447 1.00 0.00 O ATOM 206 CB GLN A 15 17.264 -12.629 4.409 1.00 0.00 C ATOM 207 CG GLN A 15 18.482 -12.264 5.277 1.00 0.00 C ATOM 208 CD GLN A 15 18.090 -11.590 6.593 1.00 0.00 C ATOM 209 OE1 GLN A 15 18.096 -12.190 7.661 1.00 0.00 O ATOM 210 NE2 GLN A 15 17.718 -10.328 6.570 1.00 0.00 N ATOM 0 H GLN A 15 17.855 -15.028 4.716 1.00 0.00 H new ATOM 0 HA GLN A 15 16.035 -13.296 6.054 1.00 0.00 H new ATOM 0 HB2 GLN A 15 17.616 -13.032 3.459 1.00 0.00 H new ATOM 0 HB3 GLN A 15 16.707 -11.720 4.183 1.00 0.00 H new ATOM 0 HG2 GLN A 15 19.053 -13.167 5.492 1.00 0.00 H new ATOM 0 HG3 GLN A 15 19.137 -11.599 4.714 1.00 0.00 H new ATOM 0 HE21 GLN A 15 17.708 -9.815 5.688 1.00 0.00 H new ATOM 0 HE22 GLN A 15 17.440 -9.862 7.434 1.00 0.00 H new ATOM 219 N LEU A 16 14.918 -14.755 3.336 1.00 0.00 N ATOM 220 CA LEU A 16 13.693 -15.042 2.574 1.00 0.00 C ATOM 221 C LEU A 16 12.645 -15.791 3.413 1.00 0.00 C ATOM 222 O LEU A 16 11.459 -15.476 3.328 1.00 0.00 O ATOM 223 CB LEU A 16 14.056 -15.798 1.283 1.00 0.00 C ATOM 224 CG LEU A 16 14.856 -14.963 0.262 1.00 0.00 C ATOM 225 CD1 LEU A 16 15.445 -15.870 -0.817 1.00 0.00 C ATOM 226 CD2 LEU A 16 13.988 -13.922 -0.445 1.00 0.00 C ATOM 0 H LEU A 16 15.690 -15.384 3.116 1.00 0.00 H new ATOM 0 HA LEU A 16 13.226 -14.096 2.302 1.00 0.00 H new ATOM 0 HB2 LEU A 16 14.636 -16.683 1.545 1.00 0.00 H new ATOM 0 HB3 LEU A 16 13.138 -16.147 0.810 1.00 0.00 H new ATOM 0 HG LEU A 16 15.638 -14.456 0.828 1.00 0.00 H new ATOM 0 HD11 LEU A 16 16.007 -15.268 -1.531 1.00 0.00 H new ATOM 0 HD12 LEU A 16 16.110 -16.600 -0.355 1.00 0.00 H new ATOM 0 HD13 LEU A 16 14.639 -16.390 -1.335 1.00 0.00 H new ATOM 0 HD21 LEU A 16 14.597 -13.361 -1.153 1.00 0.00 H new ATOM 0 HD22 LEU A 16 13.181 -14.423 -0.979 1.00 0.00 H new ATOM 0 HD23 LEU A 16 13.566 -13.239 0.292 1.00 0.00 H new ATOM 238 N GLU A 17 13.047 -16.725 4.286 1.00 0.00 N ATOM 239 CA GLU A 17 12.122 -17.441 5.189 1.00 0.00 C ATOM 240 C GLU A 17 11.290 -16.497 6.080 1.00 0.00 C ATOM 241 O GLU A 17 10.151 -16.828 6.416 1.00 0.00 O ATOM 242 CB GLU A 17 12.873 -18.447 6.076 1.00 0.00 C ATOM 243 CG GLU A 17 13.222 -19.744 5.342 1.00 0.00 C ATOM 244 CD GLU A 17 13.800 -20.788 6.319 1.00 0.00 C ATOM 245 OE1 GLU A 17 14.993 -20.684 6.692 1.00 0.00 O ATOM 246 OE2 GLU A 17 13.063 -21.718 6.727 1.00 0.00 O ATOM 0 H GLU A 17 14.021 -17.009 4.390 1.00 0.00 H new ATOM 0 HA GLU A 17 11.431 -17.973 4.535 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.790 -17.986 6.444 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.262 -18.682 6.948 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.331 -20.145 4.860 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.946 -19.537 4.553 1.00 0.00 H new ATOM 253 N ASN A 18 11.796 -15.296 6.378 1.00 0.00 N ATOM 254 CA ASN A 18 11.087 -14.214 7.077 1.00 0.00 C ATOM 255 C ASN A 18 9.728 -13.851 6.429 1.00 0.00 C ATOM 256 O ASN A 18 8.787 -13.459 7.121 1.00 0.00 O ATOM 257 CB ASN A 18 12.037 -13.002 7.060 1.00 0.00 C ATOM 258 CG ASN A 18 11.573 -11.818 7.893 1.00 0.00 C ATOM 259 OD1 ASN A 18 10.911 -11.938 8.913 1.00 0.00 O ATOM 260 ND2 ASN A 18 11.955 -10.624 7.494 1.00 0.00 N ATOM 0 H ASN A 18 12.751 -15.038 6.129 1.00 0.00 H new ATOM 0 HA ASN A 18 10.839 -14.533 8.089 1.00 0.00 H new ATOM 0 HB2 ASN A 18 13.016 -13.320 7.419 1.00 0.00 H new ATOM 0 HB3 ASN A 18 12.167 -12.674 6.029 1.00 0.00 H new ATOM 0 HD21 ASN A 18 11.699 -9.799 8.036 1.00 0.00 H new ATOM 0 HD22 ASN A 18 12.508 -10.523 6.643 1.00 0.00 H new ATOM 267 N TYR A 19 9.602 -14.012 5.106 1.00 0.00 N ATOM 268 CA TYR A 19 8.380 -13.749 4.332 1.00 0.00 C ATOM 269 C TYR A 19 7.540 -15.016 4.077 1.00 0.00 C ATOM 270 O TYR A 19 6.474 -14.943 3.464 1.00 0.00 O ATOM 271 CB TYR A 19 8.745 -13.055 3.015 1.00 0.00 C ATOM 272 CG TYR A 19 9.863 -12.030 3.090 1.00 0.00 C ATOM 273 CD1 TYR A 19 9.754 -10.917 3.947 1.00 0.00 C ATOM 274 CD2 TYR A 19 11.026 -12.217 2.317 1.00 0.00 C ATOM 275 CE1 TYR A 19 10.817 -10.000 4.045 1.00 0.00 C ATOM 276 CE2 TYR A 19 12.096 -11.307 2.423 1.00 0.00 C ATOM 277 CZ TYR A 19 11.997 -10.207 3.300 1.00 0.00 C ATOM 278 OH TYR A 19 13.034 -9.339 3.440 1.00 0.00 O ATOM 0 H TYR A 19 10.373 -14.340 4.524 1.00 0.00 H new ATOM 0 HA TYR A 19 7.750 -13.091 4.930 1.00 0.00 H new ATOM 0 HB2 TYR A 19 9.028 -13.819 2.291 1.00 0.00 H new ATOM 0 HB3 TYR A 19 7.853 -12.563 2.627 1.00 0.00 H new ATOM 0 HD1 TYR A 19 8.856 -10.768 4.528 1.00 0.00 H new ATOM 0 HD2 TYR A 19 11.097 -13.058 1.643 1.00 0.00 H new ATOM 0 HE1 TYR A 19 10.729 -9.138 4.690 1.00 0.00 H new ATOM 0 HE2 TYR A 19 12.990 -11.451 1.834 1.00 0.00 H new ATOM 0 HH TYR A 19 13.774 -9.618 2.861 1.00 0.00 H new ATOM 288 N CYS A 20 7.997 -16.180 4.553 1.00 0.00 N ATOM 289 CA CYS A 20 7.244 -17.437 4.596 1.00 0.00 C ATOM 290 C CYS A 20 6.648 -17.691 5.997 1.00 0.00 C ATOM 291 O CYS A 20 5.543 -18.218 6.111 1.00 0.00 O ATOM 292 CB CYS A 20 8.178 -18.568 4.149 1.00 0.00 C ATOM 293 SG CYS A 20 7.363 -20.158 3.833 1.00 0.00 S ATOM 0 H CYS A 20 8.939 -16.275 4.934 1.00 0.00 H new ATOM 0 HA CYS A 20 6.392 -17.385 3.918 1.00 0.00 H new ATOM 0 HB2 CYS A 20 8.694 -18.255 3.241 1.00 0.00 H new ATOM 0 HB3 CYS A 20 8.940 -18.713 4.915 1.00 0.00 H new ATOM 298 N ASN A 21 7.338 -17.262 7.065 1.00 0.00 N ATOM 299 CA ASN A 21 6.827 -17.230 8.440 1.00 0.00 C ATOM 300 C ASN A 21 7.530 -16.130 9.266 1.00 0.00 C ATOM 301 O ASN A 21 8.764 -16.058 9.273 1.00 0.00 O ATOM 302 CB ASN A 21 7.038 -18.618 9.076 1.00 0.00 C ATOM 303 CG ASN A 21 6.372 -18.767 10.435 1.00 0.00 C ATOM 304 OD1 ASN A 21 5.441 -18.059 10.796 1.00 0.00 O ATOM 305 ND2 ASN A 21 6.815 -19.710 11.235 1.00 0.00 N ATOM 0 H ASN A 21 8.295 -16.918 6.991 1.00 0.00 H new ATOM 0 HA ASN A 21 5.763 -16.992 8.428 1.00 0.00 H new ATOM 0 HB2 ASN A 21 6.648 -19.381 8.403 1.00 0.00 H new ATOM 0 HB3 ASN A 21 8.107 -18.803 9.181 1.00 0.00 H new ATOM 0 HD21 ASN A 21 6.384 -19.848 12.149 1.00 0.00 H new ATOM 0 HD22 ASN A 21 7.590 -20.305 10.942 1.00 0.00 H new ATOM 312 N GLY A 22 6.754 -15.296 9.975 1.00 0.00 N ATOM 313 CA GLY A 22 7.248 -14.216 10.849 1.00 0.00 C ATOM 314 C GLY A 22 7.805 -14.726 12.181 1.00 0.00 C ATOM 315 O GLY A 22 7.018 -15.278 12.980 1.00 0.00 O ATOM 316 OXT GLY A 22 9.016 -14.536 12.438 1.00 0.00 O ATOM 0 H GLY A 22 5.736 -15.354 9.957 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.027 -13.661 10.326 1.00 0.00 H new ATOM 0 HA3 GLY A 22 6.436 -13.516 11.046 1.00 0.00 H new TER 320 GLY A 22 ATOM 321 N PHE B 1 24.768 -21.681 -0.837 1.00 0.00 N ATOM 322 CA PHE B 1 24.100 -20.457 -1.348 1.00 0.00 C ATOM 323 C PHE B 1 25.054 -19.256 -1.289 1.00 0.00 C ATOM 324 O PHE B 1 26.150 -19.348 -0.730 1.00 0.00 O ATOM 325 CB PHE B 1 22.796 -20.168 -0.580 1.00 0.00 C ATOM 326 CG PHE B 1 21.834 -19.227 -1.288 1.00 0.00 C ATOM 327 CD1 PHE B 1 21.222 -19.622 -2.497 1.00 0.00 C ATOM 328 CD2 PHE B 1 21.562 -17.951 -0.757 1.00 0.00 C ATOM 329 CE1 PHE B 1 20.350 -18.742 -3.168 1.00 0.00 C ATOM 330 CE2 PHE B 1 20.687 -17.078 -1.429 1.00 0.00 C ATOM 331 CZ PHE B 1 20.078 -17.474 -2.631 1.00 0.00 C ATOM 0 H1 PHE B 1 24.804 -22.397 -1.590 1.00 0.00 H new ATOM 0 H2 PHE B 1 25.735 -21.448 -0.534 1.00 0.00 H new ATOM 0 H3 PHE B 1 24.233 -22.056 -0.028 1.00 0.00 H new ATOM 0 HA PHE B 1 23.834 -20.630 -2.391 1.00 0.00 H new ATOM 0 HB2 PHE B 1 22.285 -21.112 -0.391 1.00 0.00 H new ATOM 0 HB3 PHE B 1 23.049 -19.743 0.391 1.00 0.00 H new ATOM 0 HD1 PHE B 1 21.422 -20.600 -2.908 1.00 0.00 H new ATOM 0 HD2 PHE B 1 22.026 -17.642 0.168 1.00 0.00 H new ATOM 0 HE1 PHE B 1 19.890 -19.044 -4.097 1.00 0.00 H new ATOM 0 HE2 PHE B 1 20.483 -16.100 -1.019 1.00 0.00 H new ATOM 0 HZ PHE B 1 19.402 -16.804 -3.141 1.00 0.00 H new ATOM 343 N VAL B 2 24.643 -18.113 -1.853 1.00 0.00 N ATOM 344 CA VAL B 2 25.389 -16.842 -1.868 1.00 0.00 C ATOM 345 C VAL B 2 24.470 -15.704 -1.426 1.00 0.00 C ATOM 346 O VAL B 2 23.376 -15.552 -1.973 1.00 0.00 O ATOM 347 CB VAL B 2 25.937 -16.550 -3.277 1.00 0.00 C ATOM 348 CG1 VAL B 2 26.715 -15.225 -3.338 1.00 0.00 C ATOM 349 CG2 VAL B 2 26.892 -17.653 -3.758 1.00 0.00 C ATOM 0 H VAL B 2 23.745 -18.043 -2.332 1.00 0.00 H new ATOM 0 HA VAL B 2 26.230 -16.923 -1.179 1.00 0.00 H new ATOM 0 HB VAL B 2 25.057 -16.498 -3.918 1.00 0.00 H new ATOM 0 HG11 VAL B 2 27.081 -15.064 -4.352 1.00 0.00 H new ATOM 0 HG12 VAL B 2 26.057 -14.403 -3.055 1.00 0.00 H new ATOM 0 HG13 VAL B 2 27.559 -15.267 -2.650 1.00 0.00 H new ATOM 0 HG21 VAL B 2 27.256 -17.409 -4.756 1.00 0.00 H new ATOM 0 HG22 VAL B 2 27.736 -17.728 -3.072 1.00 0.00 H new ATOM 0 HG23 VAL B 2 26.362 -18.605 -3.788 1.00 0.00 H new ATOM 359 N ASN B 3 24.920 -14.871 -0.485 1.00 0.00 N ATOM 360 CA ASN B 3 24.171 -13.689 -0.055 1.00 0.00 C ATOM 361 C ASN B 3 24.201 -12.652 -1.192 1.00 0.00 C ATOM 362 O ASN B 3 25.251 -12.079 -1.499 1.00 0.00 O ATOM 363 CB ASN B 3 24.729 -13.151 1.277 1.00 0.00 C ATOM 364 CG ASN B 3 24.564 -14.098 2.459 1.00 0.00 C ATOM 365 OD1 ASN B 3 24.024 -15.190 2.370 1.00 0.00 O ATOM 366 ND2 ASN B 3 25.030 -13.706 3.623 1.00 0.00 N ATOM 0 H ASN B 3 25.810 -14.996 -0.002 1.00 0.00 H new ATOM 0 HA ASN B 3 23.129 -13.940 0.141 1.00 0.00 H new ATOM 0 HB2 ASN B 3 25.789 -12.930 1.150 1.00 0.00 H new ATOM 0 HB3 ASN B 3 24.233 -12.209 1.510 1.00 0.00 H new ATOM 0 HD21 ASN B 3 24.939 -14.311 4.439 1.00 0.00 H new ATOM 0 HD22 ASN B 3 25.483 -12.796 3.711 1.00 0.00 H new ATOM 373 N GLN B 4 23.056 -12.441 -1.839 1.00 0.00 N ATOM 374 CA GLN B 4 22.930 -11.692 -3.100 1.00 0.00 C ATOM 375 C GLN B 4 21.724 -10.737 -3.146 1.00 0.00 C ATOM 376 O GLN B 4 20.767 -10.883 -2.385 1.00 0.00 O ATOM 377 CB GLN B 4 22.889 -12.713 -4.254 1.00 0.00 C ATOM 378 CG GLN B 4 21.599 -13.557 -4.268 1.00 0.00 C ATOM 379 CD GLN B 4 21.744 -14.781 -5.163 1.00 0.00 C ATOM 380 OE1 GLN B 4 21.388 -14.788 -6.334 1.00 0.00 O ATOM 381 NE2 GLN B 4 22.286 -15.860 -4.641 1.00 0.00 N ATOM 0 H GLN B 4 22.163 -12.794 -1.496 1.00 0.00 H new ATOM 0 HA GLN B 4 23.795 -11.035 -3.193 1.00 0.00 H new ATOM 0 HB2 GLN B 4 22.981 -12.184 -5.203 1.00 0.00 H new ATOM 0 HB3 GLN B 4 23.750 -13.377 -4.175 1.00 0.00 H new ATOM 0 HG2 GLN B 4 21.359 -13.873 -3.253 1.00 0.00 H new ATOM 0 HG3 GLN B 4 20.767 -12.946 -4.617 1.00 0.00 H new ATOM 0 HE21 GLN B 4 22.585 -15.860 -3.666 1.00 0.00 H new ATOM 0 HE22 GLN B 4 22.408 -16.697 -5.212 1.00 0.00 H new ATOM 390 N HIS B 5 21.765 -9.772 -4.068 1.00 0.00 N ATOM 391 CA HIS B 5 20.646 -8.887 -4.397 1.00 0.00 C ATOM 392 C HIS B 5 19.592 -9.599 -5.258 1.00 0.00 C ATOM 393 O HIS B 5 19.923 -10.332 -6.193 1.00 0.00 O ATOM 394 CB HIS B 5 21.177 -7.640 -5.117 1.00 0.00 C ATOM 395 CG HIS B 5 22.129 -6.820 -4.283 1.00 0.00 C ATOM 396 ND1 HIS B 5 23.498 -6.744 -4.416 1.00 0.00 N ATOM 397 CD2 HIS B 5 21.777 -5.995 -3.253 1.00 0.00 C ATOM 398 CE1 HIS B 5 23.959 -5.896 -3.481 1.00 0.00 C ATOM 399 NE2 HIS B 5 22.943 -5.413 -2.741 1.00 0.00 N ATOM 0 H HIS B 5 22.600 -9.580 -4.621 1.00 0.00 H new ATOM 0 HA HIS B 5 20.157 -8.592 -3.469 1.00 0.00 H new ATOM 0 HB2 HIS B 5 21.682 -7.947 -6.033 1.00 0.00 H new ATOM 0 HB3 HIS B 5 20.334 -7.015 -5.412 1.00 0.00 H new ATOM 0 HD1 HIS B 5 24.062 -7.243 -5.103 1.00 0.00 H new ATOM 0 HD2 HIS B 5 20.773 -5.822 -2.895 1.00 0.00 H new ATOM 0 HE1 HIS B 5 24.999 -5.638 -3.343 1.00 0.00 H new ATOM 407 N LEU B 6 18.317 -9.337 -4.965 1.00 0.00 N ATOM 408 CA LEU B 6 17.132 -9.804 -5.700 1.00 0.00 C ATOM 409 C LEU B 6 16.045 -8.719 -5.695 1.00 0.00 C ATOM 410 O LEU B 6 15.754 -8.137 -4.651 1.00 0.00 O ATOM 411 CB LEU B 6 16.570 -11.080 -5.044 1.00 0.00 C ATOM 412 CG LEU B 6 17.407 -12.355 -5.233 1.00 0.00 C ATOM 413 CD1 LEU B 6 16.848 -13.440 -4.317 1.00 0.00 C ATOM 414 CD2 LEU B 6 17.367 -12.873 -6.672 1.00 0.00 C ATOM 0 H LEU B 6 18.065 -8.760 -4.162 1.00 0.00 H new ATOM 0 HA LEU B 6 17.427 -10.021 -6.727 1.00 0.00 H new ATOM 0 HB2 LEU B 6 16.458 -10.897 -3.975 1.00 0.00 H new ATOM 0 HB3 LEU B 6 15.572 -11.261 -5.443 1.00 0.00 H new ATOM 0 HG LEU B 6 18.442 -12.112 -4.993 1.00 0.00 H new ATOM 0 HD11 LEU B 6 17.430 -14.354 -4.438 1.00 0.00 H new ATOM 0 HD12 LEU B 6 16.906 -13.107 -3.281 1.00 0.00 H new ATOM 0 HD13 LEU B 6 15.808 -13.636 -4.577 1.00 0.00 H new ATOM 0 HD21 LEU B 6 17.974 -13.775 -6.751 1.00 0.00 H new ATOM 0 HD22 LEU B 6 16.338 -13.103 -6.947 1.00 0.00 H new ATOM 0 HD23 LEU B 6 17.760 -12.111 -7.344 1.00 0.00 H new ATOM 426 N CYS B 7 15.416 -8.475 -6.842 1.00 0.00 N ATOM 427 CA CYS B 7 14.375 -7.457 -7.005 1.00 0.00 C ATOM 428 C CYS B 7 13.264 -7.943 -7.954 1.00 0.00 C ATOM 429 O CYS B 7 13.478 -8.867 -8.747 1.00 0.00 O ATOM 430 CB CYS B 7 15.031 -6.161 -7.500 1.00 0.00 C ATOM 431 SG CYS B 7 14.187 -4.638 -6.999 1.00 0.00 S ATOM 0 H CYS B 7 15.617 -8.987 -7.701 1.00 0.00 H new ATOM 0 HA CYS B 7 13.893 -7.265 -6.047 1.00 0.00 H new ATOM 0 HB2 CYS B 7 16.057 -6.128 -7.134 1.00 0.00 H new ATOM 0 HB3 CYS B 7 15.082 -6.190 -8.588 1.00 0.00 H new ATOM 436 N GLY B 8 12.075 -7.335 -7.878 1.00 0.00 N ATOM 437 CA GLY B 8 10.921 -7.697 -8.714 1.00 0.00 C ATOM 438 C GLY B 8 10.528 -9.174 -8.593 1.00 0.00 C ATOM 439 O GLY B 8 10.569 -9.759 -7.508 1.00 0.00 O ATOM 0 H GLY B 8 11.883 -6.571 -7.230 1.00 0.00 H new ATOM 0 HA2 GLY B 8 10.069 -7.077 -8.435 1.00 0.00 H new ATOM 0 HA3 GLY B 8 11.150 -7.473 -9.756 1.00 0.00 H new ATOM 443 N SER B 9 10.181 -9.807 -9.715 1.00 0.00 N ATOM 444 CA SER B 9 9.761 -11.218 -9.740 1.00 0.00 C ATOM 445 C SER B 9 10.874 -12.213 -9.374 1.00 0.00 C ATOM 446 O SER B 9 10.560 -13.328 -8.968 1.00 0.00 O ATOM 447 CB SER B 9 9.171 -11.597 -11.102 1.00 0.00 C ATOM 448 OG SER B 9 8.157 -10.679 -11.487 1.00 0.00 O ATOM 0 H SER B 9 10.182 -9.361 -10.632 1.00 0.00 H new ATOM 0 HA SER B 9 8.998 -11.296 -8.965 1.00 0.00 H new ATOM 0 HB2 SER B 9 9.960 -11.610 -11.854 1.00 0.00 H new ATOM 0 HB3 SER B 9 8.757 -12.604 -11.056 1.00 0.00 H new ATOM 0 HG SER B 9 7.795 -10.939 -12.360 1.00 0.00 H new ATOM 454 N HIS B 10 12.158 -11.835 -9.444 1.00 0.00 N ATOM 455 CA HIS B 10 13.269 -12.695 -8.994 1.00 0.00 C ATOM 456 C HIS B 10 13.244 -12.904 -7.473 1.00 0.00 C ATOM 457 O HIS B 10 13.494 -14.008 -6.985 1.00 0.00 O ATOM 458 CB HIS B 10 14.618 -12.088 -9.412 1.00 0.00 C ATOM 459 CG HIS B 10 14.697 -11.661 -10.859 1.00 0.00 C ATOM 460 ND1 HIS B 10 14.432 -12.435 -11.967 1.00 0.00 N ATOM 461 CD2 HIS B 10 15.033 -10.413 -11.310 1.00 0.00 C ATOM 462 CE1 HIS B 10 14.607 -11.672 -13.060 1.00 0.00 C ATOM 463 NE2 HIS B 10 14.976 -10.425 -12.712 1.00 0.00 N ATOM 0 H HIS B 10 12.458 -10.932 -9.811 1.00 0.00 H new ATOM 0 HA HIS B 10 13.144 -13.667 -9.472 1.00 0.00 H new ATOM 0 HB2 HIS B 10 14.823 -11.224 -8.781 1.00 0.00 H new ATOM 0 HB3 HIS B 10 15.405 -12.818 -9.219 1.00 0.00 H new ATOM 0 HD2 HIS B 10 15.296 -9.566 -10.694 1.00 0.00 H new ATOM 0 HE1 HIS B 10 14.471 -12.012 -14.076 1.00 0.00 H new ATOM 0 HE2 HIS B 10 15.174 -9.646 -13.340 1.00 0.00 H new ATOM 471 N LEU B 11 12.887 -11.854 -6.726 1.00 0.00 N ATOM 472 CA LEU B 11 12.711 -11.895 -5.274 1.00 0.00 C ATOM 473 C LEU B 11 11.501 -12.764 -4.888 1.00 0.00 C ATOM 474 O LEU B 11 11.596 -13.578 -3.971 1.00 0.00 O ATOM 475 CB LEU B 11 12.611 -10.435 -4.781 1.00 0.00 C ATOM 476 CG LEU B 11 12.418 -10.228 -3.270 1.00 0.00 C ATOM 477 CD1 LEU B 11 13.445 -10.989 -2.432 1.00 0.00 C ATOM 478 CD2 LEU B 11 12.525 -8.741 -2.954 1.00 0.00 C ATOM 0 H LEU B 11 12.709 -10.932 -7.125 1.00 0.00 H new ATOM 0 HA LEU B 11 13.560 -12.370 -4.783 1.00 0.00 H new ATOM 0 HB2 LEU B 11 13.518 -9.911 -5.083 1.00 0.00 H new ATOM 0 HB3 LEU B 11 11.779 -9.957 -5.299 1.00 0.00 H new ATOM 0 HG LEU B 11 11.433 -10.618 -3.012 1.00 0.00 H new ATOM 0 HD11 LEU B 11 13.259 -10.805 -1.374 1.00 0.00 H new ATOM 0 HD12 LEU B 11 13.361 -12.057 -2.635 1.00 0.00 H new ATOM 0 HD13 LEU B 11 14.448 -10.649 -2.689 1.00 0.00 H new ATOM 0 HD21 LEU B 11 12.389 -8.586 -1.884 1.00 0.00 H new ATOM 0 HD22 LEU B 11 13.508 -8.376 -3.252 1.00 0.00 H new ATOM 0 HD23 LEU B 11 11.755 -8.197 -3.500 1.00 0.00 H new ATOM 490 N VAL B 12 10.399 -12.666 -5.645 1.00 0.00 N ATOM 491 CA VAL B 12 9.215 -13.528 -5.475 1.00 0.00 C ATOM 492 C VAL B 12 9.533 -14.987 -5.808 1.00 0.00 C ATOM 493 O VAL B 12 9.151 -15.872 -5.053 1.00 0.00 O ATOM 494 CB VAL B 12 8.008 -13.042 -6.306 1.00 0.00 C ATOM 495 CG1 VAL B 12 6.751 -13.886 -6.044 1.00 0.00 C ATOM 496 CG2 VAL B 12 7.653 -11.587 -5.974 1.00 0.00 C ATOM 0 H VAL B 12 10.301 -11.984 -6.397 1.00 0.00 H new ATOM 0 HA VAL B 12 8.938 -13.463 -4.423 1.00 0.00 H new ATOM 0 HB VAL B 12 8.310 -13.137 -7.349 1.00 0.00 H new ATOM 0 HG11 VAL B 12 5.927 -13.509 -6.649 1.00 0.00 H new ATOM 0 HG12 VAL B 12 6.949 -14.925 -6.308 1.00 0.00 H new ATOM 0 HG13 VAL B 12 6.484 -13.824 -4.989 1.00 0.00 H new ATOM 0 HG21 VAL B 12 6.799 -11.274 -6.575 1.00 0.00 H new ATOM 0 HG22 VAL B 12 7.401 -11.506 -4.917 1.00 0.00 H new ATOM 0 HG23 VAL B 12 8.506 -10.945 -6.194 1.00 0.00 H new ATOM 506 N GLU B 13 10.272 -15.257 -6.887 1.00 0.00 N ATOM 507 CA GLU B 13 10.644 -16.619 -7.298 1.00 0.00 C ATOM 508 C GLU B 13 11.584 -17.295 -6.288 1.00 0.00 C ATOM 509 O GLU B 13 11.359 -18.449 -5.916 1.00 0.00 O ATOM 510 CB GLU B 13 11.258 -16.579 -8.705 1.00 0.00 C ATOM 511 CG GLU B 13 11.602 -17.970 -9.251 1.00 0.00 C ATOM 512 CD GLU B 13 12.081 -17.883 -10.714 1.00 0.00 C ATOM 513 OE1 GLU B 13 13.282 -17.604 -10.953 1.00 0.00 O ATOM 514 OE2 GLU B 13 11.261 -18.098 -11.642 1.00 0.00 O ATOM 0 H GLU B 13 10.634 -14.532 -7.507 1.00 0.00 H new ATOM 0 HA GLU B 13 9.741 -17.229 -7.323 1.00 0.00 H new ATOM 0 HB2 GLU B 13 10.561 -16.090 -9.385 1.00 0.00 H new ATOM 0 HB3 GLU B 13 12.162 -15.970 -8.683 1.00 0.00 H new ATOM 0 HG2 GLU B 13 12.379 -18.425 -8.636 1.00 0.00 H new ATOM 0 HG3 GLU B 13 10.727 -18.616 -9.188 1.00 0.00 H new ATOM 521 N ALA B 14 12.593 -16.580 -5.781 1.00 0.00 N ATOM 522 CA ALA B 14 13.481 -17.092 -4.739 1.00 0.00 C ATOM 523 C ALA B 14 12.717 -17.373 -3.435 1.00 0.00 C ATOM 524 O ALA B 14 12.900 -18.428 -2.826 1.00 0.00 O ATOM 525 CB ALA B 14 14.602 -16.080 -4.520 1.00 0.00 C ATOM 0 H ALA B 14 12.815 -15.631 -6.083 1.00 0.00 H new ATOM 0 HA ALA B 14 13.905 -18.044 -5.059 1.00 0.00 H new ATOM 0 HB1 ALA B 14 15.276 -16.445 -3.745 1.00 0.00 H new ATOM 0 HB2 ALA B 14 15.157 -15.945 -5.449 1.00 0.00 H new ATOM 0 HB3 ALA B 14 14.176 -15.126 -4.210 1.00 0.00 H new ATOM 531 N LEU B 15 11.801 -16.482 -3.045 1.00 0.00 N ATOM 532 CA LEU B 15 10.890 -16.701 -1.922 1.00 0.00 C ATOM 533 C LEU B 15 9.967 -17.909 -2.162 1.00 0.00 C ATOM 534 O LEU B 15 9.765 -18.697 -1.244 1.00 0.00 O ATOM 535 CB LEU B 15 10.104 -15.401 -1.664 1.00 0.00 C ATOM 536 CG LEU B 15 9.045 -15.503 -0.555 1.00 0.00 C ATOM 537 CD1 LEU B 15 9.628 -15.970 0.773 1.00 0.00 C ATOM 538 CD2 LEU B 15 8.390 -14.134 -0.370 1.00 0.00 C ATOM 0 H LEU B 15 11.671 -15.581 -3.505 1.00 0.00 H new ATOM 0 HA LEU B 15 11.465 -16.947 -1.029 1.00 0.00 H new ATOM 0 HB2 LEU B 15 10.809 -14.611 -1.404 1.00 0.00 H new ATOM 0 HB3 LEU B 15 9.614 -15.098 -2.589 1.00 0.00 H new ATOM 0 HG LEU B 15 8.313 -16.249 -0.863 1.00 0.00 H new ATOM 0 HD11 LEU B 15 8.836 -16.024 1.519 1.00 0.00 H new ATOM 0 HD12 LEU B 15 10.076 -16.956 0.647 1.00 0.00 H new ATOM 0 HD13 LEU B 15 10.391 -15.265 1.104 1.00 0.00 H new ATOM 0 HD21 LEU B 15 7.636 -14.194 0.415 1.00 0.00 H new ATOM 0 HD22 LEU B 15 9.148 -13.403 -0.090 1.00 0.00 H new ATOM 0 HD23 LEU B 15 7.918 -13.827 -1.303 1.00 0.00 H new ATOM 550 N TYR B 16 9.467 -18.118 -3.381 1.00 0.00 N ATOM 551 CA TYR B 16 8.639 -19.279 -3.734 1.00 0.00 C ATOM 552 C TYR B 16 9.410 -20.597 -3.567 1.00 0.00 C ATOM 553 O TYR B 16 8.890 -21.557 -2.992 1.00 0.00 O ATOM 554 CB TYR B 16 8.114 -19.118 -5.174 1.00 0.00 C ATOM 555 CG TYR B 16 6.764 -19.755 -5.436 1.00 0.00 C ATOM 556 CD1 TYR B 16 6.632 -21.157 -5.501 1.00 0.00 C ATOM 557 CD2 TYR B 16 5.637 -18.933 -5.633 1.00 0.00 C ATOM 558 CE1 TYR B 16 5.372 -21.739 -5.744 1.00 0.00 C ATOM 559 CE2 TYR B 16 4.374 -19.511 -5.871 1.00 0.00 C ATOM 560 CZ TYR B 16 4.238 -20.919 -5.923 1.00 0.00 C ATOM 561 OH TYR B 16 3.023 -21.491 -6.156 1.00 0.00 O ATOM 0 H TYR B 16 9.626 -17.481 -4.161 1.00 0.00 H new ATOM 0 HA TYR B 16 7.792 -19.322 -3.050 1.00 0.00 H new ATOM 0 HB2 TYR B 16 8.049 -18.055 -5.405 1.00 0.00 H new ATOM 0 HB3 TYR B 16 8.842 -19.549 -5.861 1.00 0.00 H new ATOM 0 HD1 TYR B 16 7.499 -21.787 -5.364 1.00 0.00 H new ATOM 0 HD2 TYR B 16 5.741 -17.858 -5.602 1.00 0.00 H new ATOM 0 HE1 TYR B 16 5.274 -22.813 -5.793 1.00 0.00 H new ATOM 0 HE2 TYR B 16 3.510 -18.880 -6.014 1.00 0.00 H new ATOM 0 HH TYR B 16 2.345 -20.790 -6.256 1.00 0.00 H new ATOM 571 N LEU B 17 10.676 -20.633 -4.003 1.00 0.00 N ATOM 572 CA LEU B 17 11.559 -21.795 -3.873 1.00 0.00 C ATOM 573 C LEU B 17 11.971 -22.069 -2.415 1.00 0.00 C ATOM 574 O LEU B 17 12.051 -23.230 -2.004 1.00 0.00 O ATOM 575 CB LEU B 17 12.791 -21.595 -4.776 1.00 0.00 C ATOM 576 CG LEU B 17 12.493 -21.636 -6.288 1.00 0.00 C ATOM 577 CD1 LEU B 17 13.711 -21.159 -7.078 1.00 0.00 C ATOM 578 CD2 LEU B 17 12.140 -23.053 -6.755 1.00 0.00 C ATOM 0 H LEU B 17 11.121 -19.840 -4.464 1.00 0.00 H new ATOM 0 HA LEU B 17 11.008 -22.678 -4.196 1.00 0.00 H new ATOM 0 HB2 LEU B 17 13.249 -20.636 -4.535 1.00 0.00 H new ATOM 0 HB3 LEU B 17 13.525 -22.366 -4.543 1.00 0.00 H new ATOM 0 HG LEU B 17 11.641 -20.980 -6.466 1.00 0.00 H new ATOM 0 HD11 LEU B 17 13.489 -21.192 -8.145 1.00 0.00 H new ATOM 0 HD12 LEU B 17 13.954 -20.136 -6.790 1.00 0.00 H new ATOM 0 HD13 LEU B 17 14.560 -21.808 -6.864 1.00 0.00 H new ATOM 0 HD21 LEU B 17 11.936 -23.043 -7.826 1.00 0.00 H new ATOM 0 HD22 LEU B 17 12.976 -23.722 -6.551 1.00 0.00 H new ATOM 0 HD23 LEU B 17 11.257 -23.403 -6.221 1.00 0.00 H new ATOM 590 N VAL B 18 12.171 -21.018 -1.608 1.00 0.00 N ATOM 591 CA VAL B 18 12.434 -21.122 -0.158 1.00 0.00 C ATOM 592 C VAL B 18 11.190 -21.589 0.610 1.00 0.00 C ATOM 593 O VAL B 18 11.267 -22.490 1.451 1.00 0.00 O ATOM 594 CB VAL B 18 12.972 -19.773 0.371 1.00 0.00 C ATOM 595 CG1 VAL B 18 12.931 -19.651 1.895 1.00 0.00 C ATOM 596 CG2 VAL B 18 14.433 -19.608 -0.055 1.00 0.00 C ATOM 0 H VAL B 18 12.155 -20.055 -1.945 1.00 0.00 H new ATOM 0 HA VAL B 18 13.197 -21.883 0.007 1.00 0.00 H new ATOM 0 HB VAL B 18 12.323 -19.005 -0.050 1.00 0.00 H new ATOM 0 HG11 VAL B 18 13.324 -18.679 2.193 1.00 0.00 H new ATOM 0 HG12 VAL B 18 11.902 -19.748 2.240 1.00 0.00 H new ATOM 0 HG13 VAL B 18 13.538 -20.439 2.340 1.00 0.00 H new ATOM 0 HG21 VAL B 18 14.815 -18.657 0.317 1.00 0.00 H new ATOM 0 HG22 VAL B 18 15.027 -20.424 0.357 1.00 0.00 H new ATOM 0 HG23 VAL B 18 14.499 -19.625 -1.143 1.00 0.00 H new ATOM 606 N CYS B 19 10.024 -21.019 0.299 1.00 0.00 N ATOM 607 CA CYS B 19 8.773 -21.286 1.009 1.00 0.00 C ATOM 608 C CYS B 19 8.126 -22.620 0.604 1.00 0.00 C ATOM 609 O CYS B 19 7.437 -23.234 1.414 1.00 0.00 O ATOM 610 CB CYS B 19 7.837 -20.087 0.814 1.00 0.00 C ATOM 611 SG CYS B 19 6.473 -19.946 2.004 1.00 0.00 S ATOM 0 H CYS B 19 9.922 -20.350 -0.464 1.00 0.00 H new ATOM 0 HA CYS B 19 8.987 -21.403 2.071 1.00 0.00 H new ATOM 0 HB2 CYS B 19 8.432 -19.175 0.862 1.00 0.00 H new ATOM 0 HB3 CYS B 19 7.414 -20.140 -0.189 1.00 0.00 H new ATOM 616 N GLY B 20 8.377 -23.106 -0.613 1.00 0.00 N ATOM 617 CA GLY B 20 8.038 -24.464 -1.067 1.00 0.00 C ATOM 618 C GLY B 20 6.558 -24.842 -0.951 1.00 0.00 C ATOM 619 O GLY B 20 6.237 -25.984 -0.624 1.00 0.00 O ATOM 0 H GLY B 20 8.836 -22.551 -1.335 1.00 0.00 H new ATOM 0 HA2 GLY B 20 8.342 -24.568 -2.109 1.00 0.00 H new ATOM 0 HA3 GLY B 20 8.625 -25.179 -0.491 1.00 0.00 H new ATOM 623 N GLU B 21 5.656 -23.876 -1.157 1.00 0.00 N ATOM 624 CA GLU B 21 4.195 -24.005 -1.003 1.00 0.00 C ATOM 625 C GLU B 21 3.705 -24.402 0.413 1.00 0.00 C ATOM 626 O GLU B 21 2.562 -24.838 0.582 1.00 0.00 O ATOM 627 CB GLU B 21 3.590 -24.876 -2.123 1.00 0.00 C ATOM 628 CG GLU B 21 3.822 -24.297 -3.526 1.00 0.00 C ATOM 629 CD GLU B 21 3.155 -25.181 -4.598 1.00 0.00 C ATOM 630 OE1 GLU B 21 1.909 -25.127 -4.755 1.00 0.00 O ATOM 631 OE2 GLU B 21 3.871 -25.948 -5.288 1.00 0.00 O ATOM 0 H GLU B 21 5.933 -22.939 -1.449 1.00 0.00 H new ATOM 0 HA GLU B 21 3.806 -22.993 -1.117 1.00 0.00 H new ATOM 0 HB2 GLU B 21 4.023 -25.875 -2.072 1.00 0.00 H new ATOM 0 HB3 GLU B 21 2.519 -24.984 -1.953 1.00 0.00 H new ATOM 0 HG2 GLU B 21 3.418 -23.286 -3.579 1.00 0.00 H new ATOM 0 HG3 GLU B 21 4.892 -24.224 -3.722 1.00 0.00 H new ATOM 638 N ARG B 22 4.521 -24.195 1.459 1.00 0.00 N ATOM 639 CA ARG B 22 4.087 -24.316 2.874 1.00 0.00 C ATOM 640 C ARG B 22 3.109 -23.204 3.297 1.00 0.00 C ATOM 641 O ARG B 22 2.342 -23.392 4.243 1.00 0.00 O ATOM 642 CB ARG B 22 5.301 -24.359 3.824 1.00 0.00 C ATOM 643 CG ARG B 22 5.857 -25.774 4.068 1.00 0.00 C ATOM 644 CD ARG B 22 6.561 -26.442 2.879 1.00 0.00 C ATOM 645 NE ARG B 22 7.825 -25.761 2.536 1.00 0.00 N ATOM 646 CZ ARG B 22 9.022 -26.291 2.356 1.00 0.00 C ATOM 647 NH1 ARG B 22 9.243 -27.572 2.445 1.00 0.00 N ATOM 648 NH2 ARG B 22 10.039 -25.526 2.077 1.00 0.00 N ATOM 0 H ARG B 22 5.503 -23.938 1.355 1.00 0.00 H new ATOM 0 HA ARG B 22 3.546 -25.259 2.950 1.00 0.00 H new ATOM 0 HB2 ARG B 22 6.094 -23.735 3.412 1.00 0.00 H new ATOM 0 HB3 ARG B 22 5.016 -23.922 4.781 1.00 0.00 H new ATOM 0 HG2 ARG B 22 6.560 -25.727 4.899 1.00 0.00 H new ATOM 0 HG3 ARG B 22 5.034 -26.416 4.383 1.00 0.00 H new ATOM 0 HD2 ARG B 22 6.764 -27.486 3.117 1.00 0.00 H new ATOM 0 HD3 ARG B 22 5.898 -26.435 2.014 1.00 0.00 H new ATOM 0 HE ARG B 22 7.767 -24.749 2.423 1.00 0.00 H new ATOM 0 HH11 ARG B 22 8.476 -28.208 2.661 1.00 0.00 H new ATOM 0 HH12 ARG B 22 10.183 -27.939 2.298 1.00 0.00 H new ATOM 0 HH21 ARG B 22 9.912 -24.517 1.997 1.00 0.00 H new ATOM 0 HH22 ARG B 22 10.963 -25.936 1.938 1.00 0.00 H new ATOM 662 N GLY B 23 3.111 -22.084 2.569 1.00 0.00 N ATOM 663 CA GLY B 23 2.207 -20.935 2.729 1.00 0.00 C ATOM 664 C GLY B 23 2.963 -19.653 3.084 1.00 0.00 C ATOM 665 O GLY B 23 3.758 -19.634 4.023 1.00 0.00 O ATOM 0 H GLY B 23 3.778 -21.944 1.810 1.00 0.00 H new ATOM 0 HA2 GLY B 23 1.649 -20.782 1.805 1.00 0.00 H new ATOM 0 HA3 GLY B 23 1.478 -21.154 3.510 1.00 0.00 H new ATOM 669 N PHE B 24 2.725 -18.583 2.319 1.00 0.00 N ATOM 670 CA PHE B 24 3.404 -17.293 2.440 1.00 0.00 C ATOM 671 C PHE B 24 2.904 -16.474 3.646 1.00 0.00 C ATOM 672 O PHE B 24 1.766 -16.612 4.102 1.00 0.00 O ATOM 673 CB PHE B 24 3.216 -16.488 1.140 1.00 0.00 C ATOM 674 CG PHE B 24 4.131 -16.830 -0.027 1.00 0.00 C ATOM 675 CD1 PHE B 24 4.124 -18.105 -0.626 1.00 0.00 C ATOM 676 CD2 PHE B 24 4.946 -15.822 -0.577 1.00 0.00 C ATOM 677 CE1 PHE B 24 4.925 -18.362 -1.756 1.00 0.00 C ATOM 678 CE2 PHE B 24 5.715 -16.064 -1.726 1.00 0.00 C ATOM 679 CZ PHE B 24 5.712 -17.337 -2.313 1.00 0.00 C ATOM 0 H PHE B 24 2.030 -18.594 1.573 1.00 0.00 H new ATOM 0 HA PHE B 24 4.462 -17.493 2.607 1.00 0.00 H new ATOM 0 HB2 PHE B 24 2.185 -16.615 0.810 1.00 0.00 H new ATOM 0 HB3 PHE B 24 3.348 -15.432 1.374 1.00 0.00 H new ATOM 0 HD1 PHE B 24 3.502 -18.888 -0.218 1.00 0.00 H new ATOM 0 HD2 PHE B 24 4.980 -14.850 -0.108 1.00 0.00 H new ATOM 0 HE1 PHE B 24 4.935 -19.348 -2.196 1.00 0.00 H new ATOM 0 HE2 PHE B 24 6.308 -15.271 -2.157 1.00 0.00 H new ATOM 0 HZ PHE B 24 6.312 -17.530 -3.190 1.00 0.00 H new ATOM 689 N PHE B 25 3.758 -15.557 4.103 1.00 0.00 N ATOM 690 CA PHE B 25 3.509 -14.569 5.167 1.00 0.00 C ATOM 691 C PHE B 25 3.577 -13.109 4.660 1.00 0.00 C ATOM 692 O PHE B 25 3.350 -12.174 5.428 1.00 0.00 O ATOM 693 CB PHE B 25 4.497 -14.853 6.313 1.00 0.00 C ATOM 694 CG PHE B 25 4.216 -14.174 7.640 1.00 0.00 C ATOM 695 CD1 PHE B 25 3.409 -14.811 8.601 1.00 0.00 C ATOM 696 CD2 PHE B 25 4.798 -12.928 7.934 1.00 0.00 C ATOM 697 CE1 PHE B 25 3.187 -14.199 9.849 1.00 0.00 C ATOM 698 CE2 PHE B 25 4.564 -12.312 9.175 1.00 0.00 C ATOM 699 CZ PHE B 25 3.764 -12.949 10.136 1.00 0.00 C ATOM 0 H PHE B 25 4.700 -15.475 3.721 1.00 0.00 H new ATOM 0 HA PHE B 25 2.487 -14.675 5.532 1.00 0.00 H new ATOM 0 HB2 PHE B 25 4.523 -15.930 6.481 1.00 0.00 H new ATOM 0 HB3 PHE B 25 5.493 -14.558 5.984 1.00 0.00 H new ATOM 0 HD1 PHE B 25 2.960 -15.769 8.381 1.00 0.00 H new ATOM 0 HD2 PHE B 25 5.427 -12.443 7.203 1.00 0.00 H new ATOM 0 HE1 PHE B 25 2.572 -14.691 10.588 1.00 0.00 H new ATOM 0 HE2 PHE B 25 5.000 -11.348 9.389 1.00 0.00 H new ATOM 0 HZ PHE B 25 3.592 -12.480 11.094 1.00 0.00 H new ATOM 709 N TYR B 26 3.858 -12.899 3.366 1.00 0.00 N ATOM 710 CA TYR B 26 4.108 -11.605 2.693 1.00 0.00 C ATOM 711 C TYR B 26 2.897 -10.652 2.530 1.00 0.00 C ATOM 712 O TYR B 26 2.819 -9.870 1.579 1.00 0.00 O ATOM 713 CB TYR B 26 4.829 -11.868 1.356 1.00 0.00 C ATOM 714 CG TYR B 26 4.030 -12.365 0.156 1.00 0.00 C ATOM 715 CD1 TYR B 26 2.745 -12.944 0.274 1.00 0.00 C ATOM 716 CD2 TYR B 26 4.619 -12.248 -1.121 1.00 0.00 C ATOM 717 CE1 TYR B 26 2.067 -13.401 -0.871 1.00 0.00 C ATOM 718 CE2 TYR B 26 3.944 -12.708 -2.270 1.00 0.00 C ATOM 719 CZ TYR B 26 2.660 -13.285 -2.147 1.00 0.00 C ATOM 720 OH TYR B 26 1.985 -13.724 -3.247 1.00 0.00 O ATOM 0 H TYR B 26 3.922 -13.679 2.712 1.00 0.00 H new ATOM 0 HA TYR B 26 4.743 -11.039 3.374 1.00 0.00 H new ATOM 0 HB2 TYR B 26 5.318 -10.940 1.061 1.00 0.00 H new ATOM 0 HB3 TYR B 26 5.617 -12.596 1.548 1.00 0.00 H new ATOM 0 HD1 TYR B 26 2.283 -13.036 1.246 1.00 0.00 H new ATOM 0 HD2 TYR B 26 5.597 -11.801 -1.219 1.00 0.00 H new ATOM 0 HE1 TYR B 26 1.087 -13.843 -0.773 1.00 0.00 H new ATOM 0 HE2 TYR B 26 4.407 -12.620 -3.242 1.00 0.00 H new ATOM 0 HH TYR B 26 2.530 -13.572 -4.047 1.00 0.00 H new ATOM 730 N THR B 27 1.939 -10.733 3.452 1.00 0.00 N ATOM 731 CA THR B 27 0.658 -10.009 3.490 1.00 0.00 C ATOM 732 C THR B 27 0.820 -8.499 3.228 1.00 0.00 C ATOM 733 O THR B 27 1.661 -7.868 3.877 1.00 0.00 O ATOM 734 CB THR B 27 0.026 -10.201 4.883 1.00 0.00 C ATOM 735 OG1 THR B 27 0.055 -11.561 5.272 1.00 0.00 O ATOM 736 CG2 THR B 27 -1.422 -9.730 4.981 1.00 0.00 C ATOM 0 H THR B 27 2.041 -11.353 4.256 1.00 0.00 H new ATOM 0 HA THR B 27 0.027 -10.415 2.700 1.00 0.00 H new ATOM 0 HB THR B 27 0.633 -9.583 5.544 1.00 0.00 H new ATOM 0 HG1 THR B 27 -0.585 -11.707 5.999 1.00 0.00 H new ATOM 0 HG21 THR B 27 -1.792 -9.900 5.992 1.00 0.00 H new ATOM 0 HG22 THR B 27 -1.475 -8.666 4.749 1.00 0.00 H new ATOM 0 HG23 THR B 27 -2.035 -10.287 4.272 1.00 0.00 H new ATOM 744 N PRO B 28 0.023 -7.875 2.332 1.00 0.00 N ATOM 745 CA PRO B 28 0.091 -6.434 2.078 1.00 0.00 C ATOM 746 C PRO B 28 -0.270 -5.631 3.338 1.00 0.00 C ATOM 747 O PRO B 28 -1.247 -5.940 4.024 1.00 0.00 O ATOM 748 CB PRO B 28 -0.863 -6.167 0.908 1.00 0.00 C ATOM 749 CG PRO B 28 -1.875 -7.309 1.003 1.00 0.00 C ATOM 750 CD PRO B 28 -1.029 -8.475 1.519 1.00 0.00 C ATOM 0 HA PRO B 28 1.101 -6.113 1.821 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -1.346 -5.194 0.998 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -0.338 -6.175 -0.047 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -2.691 -7.070 1.685 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -2.323 -7.533 0.035 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -1.633 -9.165 2.108 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -0.606 -9.047 0.693 1.00 0.00 H new ATOM 758 N LYS B 29 0.553 -4.618 3.660 1.00 0.00 N ATOM 759 CA LYS B 29 0.528 -3.838 4.923 1.00 0.00 C ATOM 760 C LYS B 29 0.663 -4.683 6.211 1.00 0.00 C ATOM 761 O LYS B 29 0.375 -4.188 7.303 1.00 0.00 O ATOM 762 CB LYS B 29 -0.680 -2.873 4.958 1.00 0.00 C ATOM 763 CG LYS B 29 -0.725 -1.917 3.752 1.00 0.00 C ATOM 764 CD LYS B 29 -1.900 -0.931 3.878 1.00 0.00 C ATOM 765 CE LYS B 29 -2.039 -0.019 2.651 1.00 0.00 C ATOM 766 NZ LYS B 29 -0.916 0.948 2.527 1.00 0.00 N ATOM 0 H LYS B 29 1.286 -4.302 3.025 1.00 0.00 H new ATOM 0 HA LYS B 29 1.437 -3.237 4.916 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -1.601 -3.455 4.987 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -0.643 -2.288 5.877 1.00 0.00 H new ATOM 0 HG2 LYS B 29 0.213 -1.365 3.685 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -0.824 -2.491 2.831 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -2.825 -1.490 4.017 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -1.761 -0.318 4.768 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -2.087 -0.632 1.751 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -2.980 0.528 2.714 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -1.058 1.539 1.683 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -0.884 1.553 3.372 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -0.019 0.429 2.439 1.00 0.00 H new ATOM 780 N THR B 30 1.125 -5.936 6.089 1.00 0.00 N ATOM 781 CA THR B 30 1.217 -6.977 7.133 1.00 0.00 C ATOM 782 C THR B 30 -0.078 -7.202 7.947 1.00 0.00 C ATOM 783 O THR B 30 -1.152 -6.685 7.616 1.00 0.00 O ATOM 784 CB THR B 30 2.512 -6.841 7.963 1.00 0.00 C ATOM 785 OG1 THR B 30 2.778 -8.070 8.607 1.00 0.00 O ATOM 786 CG2 THR B 30 2.532 -5.748 9.032 1.00 0.00 C ATOM 0 H THR B 30 1.471 -6.278 5.192 1.00 0.00 H new ATOM 0 HA THR B 30 1.307 -7.928 6.608 1.00 0.00 H new ATOM 0 HB THR B 30 3.267 -6.553 7.231 1.00 0.00 H new ATOM 0 HG1 THR B 30 3.600 -7.992 9.135 1.00 0.00 H new ATOM 0 HG21 THR B 30 3.495 -5.756 9.543 1.00 0.00 H new ATOM 0 HG22 THR B 30 2.379 -4.777 8.562 1.00 0.00 H new ATOM 0 HG23 THR B 30 1.736 -5.931 9.754 1.00 0.00 H new ATOM 794 N LYS B 31 -0.008 -8.044 8.983 1.00 0.00 N ATOM 795 CA LYS B 31 -1.103 -8.326 9.927 1.00 0.00 C ATOM 796 C LYS B 31 -1.446 -7.071 10.745 1.00 0.00 C ATOM 797 O LYS B 31 -0.555 -6.294 11.104 1.00 0.00 O ATOM 798 CB LYS B 31 -0.706 -9.503 10.838 1.00 0.00 C ATOM 799 CG LYS B 31 -1.115 -10.893 10.302 1.00 0.00 C ATOM 800 CD LYS B 31 -0.554 -11.314 8.934 1.00 0.00 C ATOM 801 CE LYS B 31 0.981 -11.354 8.899 1.00 0.00 C ATOM 802 NZ LYS B 31 1.466 -12.104 7.713 1.00 0.00 N ATOM 0 H LYS B 31 0.840 -8.568 9.198 1.00 0.00 H new ATOM 0 HA LYS B 31 -1.998 -8.607 9.372 1.00 0.00 H new ATOM 0 HB2 LYS B 31 0.374 -9.486 10.982 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -1.160 -9.357 11.818 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -0.812 -11.640 11.035 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -2.203 -10.926 10.245 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -0.943 -12.299 8.676 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -0.911 -10.621 8.173 1.00 0.00 H new ATOM 0 HE2 LYS B 31 1.375 -10.338 8.877 1.00 0.00 H new ATOM 0 HE3 LYS B 31 1.357 -11.822 9.809 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 2.506 -12.088 7.694 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 1.136 -13.089 7.766 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 1.097 -11.661 6.847 1.00 0.00 H new ATOM 816 N ARG B 32 -2.739 -6.863 11.028 1.00 0.00 N ATOM 817 CA ARG B 32 -3.288 -5.680 11.723 1.00 0.00 C ATOM 818 C ARG B 32 -4.022 -6.055 13.016 1.00 0.00 C ATOM 819 O ARG B 32 -3.760 -5.403 14.052 1.00 0.00 O ATOM 820 CB ARG B 32 -4.196 -4.861 10.786 1.00 0.00 C ATOM 821 CG ARG B 32 -3.636 -4.494 9.395 1.00 0.00 C ATOM 822 CD ARG B 32 -2.237 -3.852 9.352 1.00 0.00 C ATOM 823 NE ARG B 32 -2.092 -2.694 10.253 1.00 0.00 N ATOM 824 CZ ARG B 32 -1.184 -2.521 11.195 1.00 0.00 C ATOM 825 NH1 ARG B 32 -0.321 -3.440 11.531 1.00 0.00 N ATOM 826 NH2 ARG B 32 -1.131 -1.392 11.841 1.00 0.00 N ATOM 827 OXT ARG B 32 -4.841 -7.001 12.990 1.00 0.00 O ATOM 0 H ARG B 32 -3.462 -7.536 10.772 1.00 0.00 H new ATOM 0 HA ARG B 32 -2.441 -5.056 12.009 1.00 0.00 H new ATOM 0 HB2 ARG B 32 -5.120 -5.420 10.640 1.00 0.00 H new ATOM 0 HB3 ARG B 32 -4.460 -3.935 11.297 1.00 0.00 H new ATOM 0 HG2 ARG B 32 -3.612 -5.400 8.790 1.00 0.00 H new ATOM 0 HG3 ARG B 32 -4.337 -3.810 8.917 1.00 0.00 H new ATOM 0 HD2 ARG B 32 -1.493 -4.603 9.617 1.00 0.00 H new ATOM 0 HD3 ARG B 32 -2.022 -3.537 8.331 1.00 0.00 H new ATOM 0 HE ARG B 32 -2.770 -1.941 10.135 1.00 0.00 H new ATOM 0 HH11 ARG B 32 -0.328 -4.344 11.058 1.00 0.00 H new ATOM 0 HH12 ARG B 32 0.361 -3.255 12.267 1.00 0.00 H new ATOM 0 HH21 ARG B 32 -1.790 -0.646 11.618 1.00 0.00 H new ATOM 0 HH22 ARG B 32 -0.431 -1.254 12.570 1.00 0.00 H new TER 841 ARG B 32