USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 404 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 1 PHE N :NH3+ 179:sc= 0.578 (180deg=0) USER MOD Set 1.2: B 4 GLN : amide:sc= 0.579 K(o=1.2,f=-0.16) USER MOD Set 2.1: A 15 GLN : amide:sc= 0.529 K(o=1.2,f=-0.99) USER MOD Set 2.2: A 18 ASN : amide:sc= 0.672 K(o=1.2,f=-0.48) USER MOD Set 3.1: A 8 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -178:sc= 1.8 (180deg=1.8) USER MOD Single : A 5 GLN : amide:sc= 0.731 K(o=0.73,f=-0.24) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : B 3 ASN : amide:sc= 0.275 K(o=0.27,f=-3.2!) USER MOD Single : B 5 HIS : no HD1:sc= 0 X(o=0,f=-0.046) USER MOD Single : B 9 SER OG : rot 93:sc= 1.89 USER MOD Single : B 10 HIS : no HD1:sc= -0.0338 X(o=-0.034,f=0) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 165:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 29 LYS NZ :NH3+ 155:sc= 1.23 (180deg=0.26) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.819 -23.501 7.911 1.00 0.00 N ATOM 2 CA GLY A 1 -10.403 -22.853 6.713 1.00 0.00 C ATOM 3 C GLY A 1 -9.420 -21.880 6.087 1.00 0.00 C ATOM 4 O GLY A 1 -8.614 -21.294 6.802 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.498 -24.186 8.301 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.942 -23.994 7.646 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.607 -22.778 8.628 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.682 -23.613 5.984 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.316 -22.326 6.989 1.00 0.00 H new ATOM 10 N ILE A 2 -9.466 -21.676 4.765 1.00 0.00 N ATOM 11 CA ILE A 2 -8.397 -20.992 3.997 1.00 0.00 C ATOM 12 C ILE A 2 -8.044 -19.584 4.510 1.00 0.00 C ATOM 13 O ILE A 2 -6.877 -19.202 4.525 1.00 0.00 O ATOM 14 CB ILE A 2 -8.755 -21.020 2.491 1.00 0.00 C ATOM 15 CG1 ILE A 2 -7.546 -20.762 1.563 1.00 0.00 C ATOM 16 CG2 ILE A 2 -9.971 -20.154 2.117 1.00 0.00 C ATOM 17 CD1 ILE A 2 -7.216 -19.310 1.197 1.00 0.00 C ATOM 0 H ILE A 2 -10.249 -21.980 4.186 1.00 0.00 H new ATOM 0 HA ILE A 2 -7.473 -21.549 4.153 1.00 0.00 H new ATOM 0 HB ILE A 2 -9.063 -22.050 2.313 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -6.664 -21.196 2.035 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -7.714 -21.310 0.636 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -10.155 -20.229 1.045 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -10.848 -20.504 2.661 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -9.772 -19.115 2.379 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -6.345 -19.289 0.542 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -8.067 -18.862 0.684 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -7.001 -18.746 2.105 1.00 0.00 H new ATOM 29 N VAL A 3 -9.013 -18.832 5.033 1.00 0.00 N ATOM 30 CA VAL A 3 -8.769 -17.488 5.590 1.00 0.00 C ATOM 31 C VAL A 3 -7.870 -17.506 6.846 1.00 0.00 C ATOM 32 O VAL A 3 -7.171 -16.526 7.092 1.00 0.00 O ATOM 33 CB VAL A 3 -10.111 -16.755 5.792 1.00 0.00 C ATOM 34 CG1 VAL A 3 -9.974 -15.391 6.465 1.00 0.00 C ATOM 35 CG2 VAL A 3 -10.813 -16.526 4.450 1.00 0.00 C ATOM 0 H VAL A 3 -9.987 -19.130 5.086 1.00 0.00 H new ATOM 0 HA VAL A 3 -8.189 -16.916 4.866 1.00 0.00 H new ATOM 0 HB VAL A 3 -10.689 -17.409 6.445 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -10.959 -14.938 6.572 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -9.522 -15.515 7.449 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -9.342 -14.746 5.854 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -11.757 -16.008 4.617 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -10.176 -15.921 3.805 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -11.006 -17.486 3.972 1.00 0.00 H new ATOM 45 N GLU A 4 -7.774 -18.615 7.596 1.00 0.00 N ATOM 46 CA GLU A 4 -6.771 -18.769 8.674 1.00 0.00 C ATOM 47 C GLU A 4 -5.336 -18.801 8.121 1.00 0.00 C ATOM 48 O GLU A 4 -4.453 -18.152 8.684 1.00 0.00 O ATOM 49 CB GLU A 4 -7.026 -20.036 9.519 1.00 0.00 C ATOM 50 CG GLU A 4 -8.087 -19.814 10.615 1.00 0.00 C ATOM 51 CD GLU A 4 -9.061 -20.986 10.868 1.00 0.00 C ATOM 52 OE1 GLU A 4 -9.963 -20.826 11.727 1.00 0.00 O ATOM 53 OE2 GLU A 4 -8.993 -22.055 10.217 1.00 0.00 O1- ATOM 0 H GLU A 4 -8.381 -19.426 7.478 1.00 0.00 H new ATOM 0 HA GLU A 4 -6.878 -17.894 9.315 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.349 -20.846 8.865 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.092 -20.354 9.982 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.573 -19.588 11.549 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.672 -18.933 10.352 1.00 0.00 H new ATOM 60 N GLN A 5 -5.111 -19.481 6.989 1.00 0.00 N ATOM 61 CA GLN A 5 -3.825 -19.472 6.279 1.00 0.00 C ATOM 62 C GLN A 5 -3.459 -18.053 5.809 1.00 0.00 C ATOM 63 O GLN A 5 -2.290 -17.681 5.881 1.00 0.00 O ATOM 64 CB GLN A 5 -3.867 -20.501 5.127 1.00 0.00 C ATOM 65 CG GLN A 5 -2.735 -20.407 4.090 1.00 0.00 C ATOM 66 CD GLN A 5 -1.344 -20.741 4.623 1.00 0.00 C ATOM 67 OE1 GLN A 5 -1.153 -21.505 5.561 1.00 0.00 O ATOM 68 NE2 GLN A 5 -0.309 -20.213 4.008 1.00 0.00 N ATOM 0 H GLN A 5 -5.821 -20.057 6.537 1.00 0.00 H new ATOM 0 HA GLN A 5 -3.028 -19.772 6.959 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -3.852 -21.501 5.560 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -4.818 -20.393 4.606 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -2.963 -21.080 3.264 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -2.719 -19.396 3.682 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -0.452 -19.575 3.225 1.00 0.00 H new ATOM 0 HE22 GLN A 5 0.637 -20.441 4.314 1.00 0.00 H new ATOM 77 N CYS A 6 -4.433 -17.235 5.389 1.00 0.00 N ATOM 78 CA CYS A 6 -4.177 -15.835 5.022 1.00 0.00 C ATOM 79 C CYS A 6 -3.940 -14.936 6.249 1.00 0.00 C ATOM 80 O CYS A 6 -3.138 -14.005 6.191 1.00 0.00 O ATOM 81 CB CYS A 6 -5.319 -15.279 4.163 1.00 0.00 C ATOM 82 SG CYS A 6 -5.846 -16.312 2.768 1.00 0.00 S ATOM 0 H CYS A 6 -5.408 -17.519 5.295 1.00 0.00 H new ATOM 0 HA CYS A 6 -3.257 -15.828 4.437 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -6.181 -15.108 4.808 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -5.014 -14.307 3.774 1.00 0.00 H new ATOM 87 N CYS A 7 -4.597 -15.220 7.379 1.00 0.00 N ATOM 88 CA CYS A 7 -4.378 -14.524 8.651 1.00 0.00 C ATOM 89 C CYS A 7 -2.914 -14.657 9.130 1.00 0.00 C ATOM 90 O CYS A 7 -2.345 -13.689 9.640 1.00 0.00 O ATOM 91 CB CYS A 7 -5.344 -15.094 9.708 1.00 0.00 C ATOM 92 SG CYS A 7 -6.466 -13.913 10.508 1.00 0.00 S ATOM 0 H CYS A 7 -5.306 -15.951 7.436 1.00 0.00 H new ATOM 0 HA CYS A 7 -4.573 -13.462 8.505 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -5.947 -15.869 9.235 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -4.752 -15.580 10.484 1.00 0.00 H new ATOM 97 N THR A 8 -2.294 -15.834 8.963 1.00 0.00 N ATOM 98 CA THR A 8 -0.914 -16.118 9.408 1.00 0.00 C ATOM 99 C THR A 8 0.161 -15.883 8.335 1.00 0.00 C ATOM 100 O THR A 8 1.253 -15.412 8.664 1.00 0.00 O ATOM 101 CB THR A 8 -0.794 -17.565 9.921 1.00 0.00 C ATOM 102 OG1 THR A 8 -1.166 -18.492 8.923 1.00 0.00 O ATOM 103 CG2 THR A 8 -1.671 -17.822 11.148 1.00 0.00 C ATOM 0 H THR A 8 -2.741 -16.630 8.508 1.00 0.00 H new ATOM 0 HA THR A 8 -0.726 -15.403 10.209 1.00 0.00 H new ATOM 0 HB THR A 8 0.253 -17.697 10.193 1.00 0.00 H new ATOM 0 HG1 THR A 8 -1.080 -19.403 9.274 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.551 -18.856 11.471 1.00 0.00 H new ATOM 0 HG22 THR A 8 -1.373 -17.153 11.955 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.715 -17.641 10.893 1.00 0.00 H new ATOM 111 N SER A 9 -0.127 -16.189 7.065 1.00 0.00 N ATOM 112 CA SER A 9 0.875 -16.444 6.013 1.00 0.00 C ATOM 113 C SER A 9 0.388 -16.055 4.600 1.00 0.00 C ATOM 114 O SER A 9 -0.672 -15.450 4.424 1.00 0.00 O ATOM 115 CB SER A 9 1.247 -17.941 6.060 1.00 0.00 C ATOM 116 OG SER A 9 1.955 -18.262 7.249 1.00 0.00 O ATOM 0 H SER A 9 -1.086 -16.269 6.727 1.00 0.00 H new ATOM 0 HA SER A 9 1.743 -15.816 6.210 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.341 -18.545 6.000 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.857 -18.193 5.192 1.00 0.00 H new ATOM 0 HG SER A 9 2.175 -19.217 7.251 1.00 0.00 H new ATOM 122 N ILE A 10 1.189 -16.369 3.573 1.00 0.00 N ATOM 123 CA ILE A 10 0.869 -16.155 2.149 1.00 0.00 C ATOM 124 C ILE A 10 -0.386 -16.921 1.673 1.00 0.00 C ATOM 125 O ILE A 10 -0.756 -17.957 2.232 1.00 0.00 O ATOM 126 CB ILE A 10 2.105 -16.430 1.249 1.00 0.00 C ATOM 127 CG1 ILE A 10 2.998 -17.640 1.612 1.00 0.00 C ATOM 128 CG2 ILE A 10 2.994 -15.174 1.238 1.00 0.00 C ATOM 129 CD1 ILE A 10 2.286 -18.995 1.556 1.00 0.00 C ATOM 0 H ILE A 10 2.107 -16.792 3.711 1.00 0.00 H new ATOM 0 HA ILE A 10 0.611 -15.101 2.048 1.00 0.00 H new ATOM 0 HB ILE A 10 1.674 -16.683 0.281 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.850 -17.663 0.933 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.395 -17.494 2.616 1.00 0.00 H new ATOM 0 HG21 ILE A 10 3.867 -15.352 0.610 1.00 0.00 H new ATOM 0 HG22 ILE A 10 2.428 -14.331 0.842 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.318 -14.949 2.254 1.00 0.00 H new ATOM 0 HD11 ILE A 10 2.987 -19.786 1.825 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.451 -18.996 2.257 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.913 -19.169 0.547 1.00 0.00 H new ATOM 141 N CYS A 11 -1.038 -16.400 0.627 1.00 0.00 N ATOM 142 CA CYS A 11 -2.301 -16.897 0.066 1.00 0.00 C ATOM 143 C CYS A 11 -2.402 -16.619 -1.445 1.00 0.00 C ATOM 144 O CYS A 11 -2.391 -15.465 -1.880 1.00 0.00 O ATOM 145 CB CYS A 11 -3.496 -16.259 0.798 1.00 0.00 C ATOM 146 SG CYS A 11 -4.173 -17.289 2.119 1.00 0.00 S ATOM 0 H CYS A 11 -0.685 -15.585 0.126 1.00 0.00 H new ATOM 0 HA CYS A 11 -2.322 -17.977 0.210 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -3.185 -15.303 1.218 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.283 -16.048 0.074 1.00 0.00 H new ATOM 151 N SER A 12 -2.581 -17.688 -2.224 1.00 0.00 N ATOM 152 CA SER A 12 -2.725 -17.675 -3.689 1.00 0.00 C ATOM 153 C SER A 12 -4.065 -18.283 -4.118 1.00 0.00 C ATOM 154 O SER A 12 -4.679 -19.048 -3.371 1.00 0.00 O ATOM 155 CB SER A 12 -1.562 -18.439 -4.340 1.00 0.00 C ATOM 156 OG SER A 12 -0.317 -17.837 -4.017 1.00 0.00 O ATOM 0 H SER A 12 -2.632 -18.631 -1.838 1.00 0.00 H new ATOM 0 HA SER A 12 -2.703 -16.638 -4.024 1.00 0.00 H new ATOM 0 HB2 SER A 12 -1.568 -19.475 -4.002 1.00 0.00 H new ATOM 0 HB3 SER A 12 -1.693 -18.456 -5.422 1.00 0.00 H new ATOM 0 HG SER A 12 0.409 -18.340 -4.440 1.00 0.00 H new ATOM 162 N LEU A 13 -4.525 -17.987 -5.340 1.00 0.00 N ATOM 163 CA LEU A 13 -5.834 -18.437 -5.846 1.00 0.00 C ATOM 164 C LEU A 13 -5.939 -19.972 -5.957 1.00 0.00 C ATOM 165 O LEU A 13 -7.034 -20.525 -5.861 1.00 0.00 O ATOM 166 CB LEU A 13 -6.146 -17.756 -7.196 1.00 0.00 C ATOM 167 CG LEU A 13 -6.476 -16.248 -7.113 1.00 0.00 C ATOM 168 CD1 LEU A 13 -5.238 -15.348 -7.020 1.00 0.00 C ATOM 169 CD2 LEU A 13 -7.252 -15.821 -8.359 1.00 0.00 C ATOM 0 H LEU A 13 -4.000 -17.426 -6.011 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.584 -18.135 -5.115 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -5.290 -17.888 -7.858 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.988 -18.271 -7.658 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.057 -16.124 -6.199 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.550 -14.305 -6.965 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.668 -15.604 -6.127 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.615 -15.494 -7.902 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.483 -14.758 -8.297 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -6.648 -16.010 -9.246 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.179 -16.390 -8.423 1.00 0.00 H new ATOM 181 N TYR A 14 -4.808 -20.678 -6.055 1.00 0.00 N ATOM 182 CA TYR A 14 -4.741 -22.143 -5.982 1.00 0.00 C ATOM 183 C TYR A 14 -5.247 -22.712 -4.637 1.00 0.00 C ATOM 184 O TYR A 14 -5.774 -23.824 -4.595 1.00 0.00 O ATOM 185 CB TYR A 14 -3.293 -22.568 -6.265 1.00 0.00 C ATOM 186 CG TYR A 14 -3.089 -24.066 -6.397 1.00 0.00 C ATOM 187 CD1 TYR A 14 -2.425 -24.789 -5.385 1.00 0.00 C ATOM 188 CD2 TYR A 14 -3.557 -24.735 -7.546 1.00 0.00 C ATOM 189 CE1 TYR A 14 -2.226 -26.177 -5.522 1.00 0.00 C ATOM 190 CE2 TYR A 14 -3.362 -26.122 -7.685 1.00 0.00 C ATOM 191 CZ TYR A 14 -2.694 -26.848 -6.674 1.00 0.00 C ATOM 192 OH TYR A 14 -2.502 -28.188 -6.821 1.00 0.00 O ATOM 0 H TYR A 14 -3.897 -20.240 -6.190 1.00 0.00 H new ATOM 0 HA TYR A 14 -5.413 -22.559 -6.732 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -2.960 -22.087 -7.185 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -2.656 -22.197 -5.462 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.068 -24.278 -4.503 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -4.066 -24.182 -8.321 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.716 -26.728 -4.746 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -3.724 -26.632 -8.566 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.889 -28.483 -7.672 1.00 0.00 H new ATOM 202 N GLN A 15 -5.154 -21.947 -3.539 1.00 0.00 N ATOM 203 CA GLN A 15 -5.758 -22.313 -2.250 1.00 0.00 C ATOM 204 C GLN A 15 -7.260 -21.988 -2.172 1.00 0.00 C ATOM 205 O GLN A 15 -7.988 -22.698 -1.483 1.00 0.00 O ATOM 206 CB GLN A 15 -4.980 -21.680 -1.083 1.00 0.00 C ATOM 207 CG GLN A 15 -3.572 -22.274 -0.897 1.00 0.00 C ATOM 208 CD GLN A 15 -3.552 -23.739 -0.437 1.00 0.00 C ATOM 209 OE1 GLN A 15 -4.559 -24.367 -0.133 1.00 0.00 O ATOM 210 NE2 GLN A 15 -2.387 -24.347 -0.363 1.00 0.00 N ATOM 0 H GLN A 15 -4.657 -21.056 -3.520 1.00 0.00 H new ATOM 0 HA GLN A 15 -5.684 -23.397 -2.166 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -4.895 -20.607 -1.252 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -5.548 -21.813 -0.162 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -3.031 -22.196 -1.840 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -3.031 -21.671 -0.168 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -1.534 -23.846 -0.611 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -2.338 -25.319 -0.058 1.00 0.00 H new ATOM 219 N LEU A 16 -7.768 -21.000 -2.923 1.00 0.00 N ATOM 220 CA LEU A 16 -9.222 -20.842 -3.108 1.00 0.00 C ATOM 221 C LEU A 16 -9.794 -22.045 -3.877 1.00 0.00 C ATOM 222 O LEU A 16 -10.773 -22.644 -3.440 1.00 0.00 O ATOM 223 CB LEU A 16 -9.567 -19.512 -3.810 1.00 0.00 C ATOM 224 CG LEU A 16 -9.080 -18.234 -3.100 1.00 0.00 C ATOM 225 CD1 LEU A 16 -9.450 -17.013 -3.943 1.00 0.00 C ATOM 226 CD2 LEU A 16 -9.701 -18.054 -1.715 1.00 0.00 C ATOM 0 H LEU A 16 -7.202 -20.304 -3.408 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.686 -20.810 -2.122 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.142 -19.532 -4.814 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.650 -19.452 -3.923 1.00 0.00 H new ATOM 0 HG LEU A 16 -8.001 -18.331 -2.981 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.106 -16.108 -3.443 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.976 -17.089 -4.921 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -10.532 -16.971 -4.067 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -9.322 -17.138 -1.262 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -10.785 -17.991 -1.808 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -9.440 -18.905 -1.086 1.00 0.00 H new ATOM 238 N GLU A 17 -9.125 -22.474 -4.952 1.00 0.00 N ATOM 239 CA GLU A 17 -9.445 -23.690 -5.726 1.00 0.00 C ATOM 240 C GLU A 17 -9.377 -25.000 -4.904 1.00 0.00 C ATOM 241 O GLU A 17 -9.937 -26.018 -5.313 1.00 0.00 O ATOM 242 CB GLU A 17 -8.487 -23.787 -6.928 1.00 0.00 C ATOM 243 CG GLU A 17 -8.764 -22.760 -8.039 1.00 0.00 C ATOM 244 CD GLU A 17 -9.986 -23.104 -8.918 1.00 0.00 C ATOM 245 OE1 GLU A 17 -10.666 -22.174 -9.410 1.00 0.00 O ATOM 246 OE2 GLU A 17 -10.271 -24.298 -9.172 1.00 0.00 O1- ATOM 0 H GLU A 17 -8.319 -21.972 -5.324 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.481 -23.589 -6.049 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.464 -23.656 -6.575 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.553 -24.790 -7.351 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.919 -21.781 -7.585 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.882 -22.680 -8.675 1.00 0.00 H new ATOM 253 N ASN A 18 -8.732 -24.993 -3.731 1.00 0.00 N ATOM 254 CA ASN A 18 -8.692 -26.130 -2.801 1.00 0.00 C ATOM 255 C ASN A 18 -10.057 -26.383 -2.109 1.00 0.00 C ATOM 256 O ASN A 18 -10.314 -27.493 -1.637 1.00 0.00 O ATOM 257 CB ASN A 18 -7.556 -25.865 -1.791 1.00 0.00 C ATOM 258 CG ASN A 18 -7.000 -27.093 -1.085 1.00 0.00 C ATOM 259 OD1 ASN A 18 -7.385 -28.233 -1.306 1.00 0.00 O ATOM 260 ND2 ASN A 18 -6.027 -26.895 -0.226 1.00 0.00 N ATOM 0 H ASN A 18 -8.213 -24.182 -3.395 1.00 0.00 H new ATOM 0 HA ASN A 18 -8.491 -27.049 -3.351 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -6.739 -25.368 -2.314 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -7.921 -25.169 -1.036 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -5.598 -27.688 0.251 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -5.700 -25.948 -0.036 1.00 0.00 H new ATOM 267 N TYR A 19 -10.950 -25.380 -2.080 1.00 0.00 N ATOM 268 CA TYR A 19 -12.275 -25.444 -1.433 1.00 0.00 C ATOM 269 C TYR A 19 -13.427 -25.047 -2.372 1.00 0.00 C ATOM 270 O TYR A 19 -14.480 -25.688 -2.361 1.00 0.00 O ATOM 271 CB TYR A 19 -12.245 -24.597 -0.152 1.00 0.00 C ATOM 272 CG TYR A 19 -11.169 -25.052 0.820 1.00 0.00 C ATOM 273 CD1 TYR A 19 -11.327 -26.264 1.521 1.00 0.00 C ATOM 274 CD2 TYR A 19 -9.970 -24.323 0.941 1.00 0.00 C ATOM 275 CE1 TYR A 19 -10.286 -26.752 2.333 1.00 0.00 C ATOM 276 CE2 TYR A 19 -8.932 -24.801 1.764 1.00 0.00 C ATOM 277 CZ TYR A 19 -9.086 -26.018 2.462 1.00 0.00 C ATOM 278 OH TYR A 19 -8.072 -26.479 3.244 1.00 0.00 O ATOM 0 H TYR A 19 -10.767 -24.477 -2.517 1.00 0.00 H new ATOM 0 HA TYR A 19 -12.480 -26.482 -1.172 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -12.075 -23.553 -0.414 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -13.218 -24.649 0.337 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -12.249 -26.820 1.435 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -9.846 -23.396 0.402 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -10.405 -27.688 2.858 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -8.017 -24.236 1.861 1.00 0.00 H new ATOM 0 HH TYR A 19 -7.323 -25.847 3.215 1.00 0.00 H new ATOM 288 N CYS A 20 -13.203 -24.069 -3.253 1.00 0.00 N ATOM 289 CA CYS A 20 -13.925 -23.890 -4.515 1.00 0.00 C ATOM 290 C CYS A 20 -13.473 -24.982 -5.516 1.00 0.00 C ATOM 291 O CYS A 20 -12.748 -24.707 -6.472 1.00 0.00 O ATOM 292 CB CYS A 20 -13.670 -22.455 -5.013 1.00 0.00 C ATOM 293 SG CYS A 20 -14.473 -21.994 -6.572 1.00 0.00 S ATOM 0 H CYS A 20 -12.490 -23.356 -3.102 1.00 0.00 H new ATOM 0 HA CYS A 20 -15.002 -24.008 -4.392 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -13.999 -21.761 -4.240 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -12.595 -22.318 -5.128 1.00 0.00 H new ATOM 298 N GLY A 21 -13.820 -26.245 -5.225 1.00 0.00 N ATOM 299 CA GLY A 21 -13.349 -27.450 -5.932 1.00 0.00 C ATOM 300 C GLY A 21 -14.126 -27.760 -7.210 1.00 0.00 C ATOM 301 O GLY A 21 -13.584 -27.518 -8.311 1.00 0.00 O ATOM 302 OXT GLY A 21 -15.267 -28.258 -7.096 1.00 0.00 O1- ATOM 0 H GLY A 21 -14.460 -26.465 -4.462 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -12.295 -27.325 -6.180 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -13.419 -28.305 -5.259 1.00 0.00 H new TER 306 GLY A 21 ATOM 307 N PHE B 1 -7.105 -9.506 -2.337 1.00 0.00 N ATOM 308 CA PHE B 1 -6.860 -10.912 -1.914 1.00 0.00 C ATOM 309 C PHE B 1 -5.378 -11.309 -1.929 1.00 0.00 C ATOM 310 O PHE B 1 -4.830 -11.601 -0.868 1.00 0.00 O ATOM 311 CB PHE B 1 -7.702 -11.934 -2.708 1.00 0.00 C ATOM 312 CG PHE B 1 -7.289 -13.381 -2.463 1.00 0.00 C ATOM 313 CD1 PHE B 1 -6.784 -14.165 -3.519 1.00 0.00 C ATOM 314 CD2 PHE B 1 -7.323 -13.918 -1.160 1.00 0.00 C ATOM 315 CE1 PHE B 1 -6.321 -15.468 -3.270 1.00 0.00 C ATOM 316 CE2 PHE B 1 -6.874 -15.228 -0.918 1.00 0.00 C ATOM 317 CZ PHE B 1 -6.368 -16.005 -1.973 1.00 0.00 C ATOM 0 H1 PHE B 1 -8.126 -9.311 -2.320 1.00 0.00 H new ATOM 0 H2 PHE B 1 -6.618 -8.858 -1.686 1.00 0.00 H new ATOM 0 H3 PHE B 1 -6.742 -9.365 -3.301 1.00 0.00 H new ATOM 0 HA PHE B 1 -7.189 -10.943 -0.875 1.00 0.00 H new ATOM 0 HB2 PHE B 1 -8.752 -11.814 -2.441 1.00 0.00 H new ATOM 0 HB3 PHE B 1 -7.617 -11.715 -3.772 1.00 0.00 H new ATOM 0 HD1 PHE B 1 -6.753 -13.764 -4.521 1.00 0.00 H new ATOM 0 HD2 PHE B 1 -7.696 -13.319 -0.342 1.00 0.00 H new ATOM 0 HE1 PHE B 1 -5.926 -16.061 -4.082 1.00 0.00 H new ATOM 0 HE2 PHE B 1 -6.918 -15.637 0.080 1.00 0.00 H new ATOM 0 HZ PHE B 1 -6.017 -17.010 -1.788 1.00 0.00 H new ATOM 329 N VAL B 2 -4.741 -11.406 -3.105 1.00 0.00 N ATOM 330 CA VAL B 2 -3.487 -12.169 -3.288 1.00 0.00 C ATOM 331 C VAL B 2 -2.340 -11.713 -2.369 1.00 0.00 C ATOM 332 O VAL B 2 -1.989 -10.532 -2.316 1.00 0.00 O ATOM 333 CB VAL B 2 -3.091 -12.210 -4.781 1.00 0.00 C ATOM 334 CG1 VAL B 2 -2.764 -10.836 -5.385 1.00 0.00 C ATOM 335 CG2 VAL B 2 -1.900 -13.141 -5.028 1.00 0.00 C ATOM 0 H VAL B 2 -5.076 -10.960 -3.959 1.00 0.00 H new ATOM 0 HA VAL B 2 -3.687 -13.192 -2.969 1.00 0.00 H new ATOM 0 HB VAL B 2 -3.982 -12.590 -5.281 1.00 0.00 H new ATOM 0 HG11 VAL B 2 -2.496 -10.954 -6.435 1.00 0.00 H new ATOM 0 HG12 VAL B 2 -3.635 -10.186 -5.304 1.00 0.00 H new ATOM 0 HG13 VAL B 2 -1.928 -10.391 -4.845 1.00 0.00 H new ATOM 0 HG21 VAL B 2 -1.653 -13.142 -6.090 1.00 0.00 H new ATOM 0 HG22 VAL B 2 -1.041 -12.792 -4.456 1.00 0.00 H new ATOM 0 HG23 VAL B 2 -2.158 -14.153 -4.715 1.00 0.00 H new ATOM 345 N ASN B 3 -1.764 -12.667 -1.631 1.00 0.00 N ATOM 346 CA ASN B 3 -0.586 -12.518 -0.766 1.00 0.00 C ATOM 347 C ASN B 3 -0.610 -11.290 0.174 1.00 0.00 C ATOM 348 O ASN B 3 0.387 -10.578 0.321 1.00 0.00 O ATOM 349 CB ASN B 3 0.693 -12.690 -1.612 1.00 0.00 C ATOM 350 CG ASN B 3 0.812 -14.106 -2.152 1.00 0.00 C ATOM 351 OD1 ASN B 3 0.632 -15.073 -1.429 1.00 0.00 O ATOM 352 ND2 ASN B 3 1.107 -14.289 -3.418 1.00 0.00 N ATOM 0 H ASN B 3 -2.127 -13.620 -1.620 1.00 0.00 H new ATOM 0 HA ASN B 3 -0.602 -13.324 -0.032 1.00 0.00 H new ATOM 0 HB2 ASN B 3 0.681 -11.982 -2.441 1.00 0.00 H new ATOM 0 HB3 ASN B 3 1.567 -12.455 -1.005 1.00 0.00 H new ATOM 0 HD21 ASN B 3 1.185 -15.235 -3.792 1.00 0.00 H new ATOM 0 HD22 ASN B 3 1.259 -13.485 -4.028 1.00 0.00 H new ATOM 359 N GLN B 4 -1.750 -11.064 0.836 1.00 0.00 N ATOM 360 CA GLN B 4 -1.921 -10.073 1.909 1.00 0.00 C ATOM 361 C GLN B 4 -2.733 -10.654 3.082 1.00 0.00 C ATOM 362 O GLN B 4 -3.544 -11.566 2.902 1.00 0.00 O ATOM 363 CB GLN B 4 -2.529 -8.776 1.339 1.00 0.00 C ATOM 364 CG GLN B 4 -4.023 -8.895 0.963 1.00 0.00 C ATOM 365 CD GLN B 4 -4.429 -8.266 -0.373 1.00 0.00 C ATOM 366 OE1 GLN B 4 -5.510 -7.709 -0.512 1.00 0.00 O ATOM 367 NE2 GLN B 4 -3.654 -8.358 -1.432 1.00 0.00 N ATOM 0 H GLN B 4 -2.606 -11.580 0.635 1.00 0.00 H new ATOM 0 HA GLN B 4 -0.944 -9.818 2.319 1.00 0.00 H new ATOM 0 HB2 GLN B 4 -2.412 -7.979 2.073 1.00 0.00 H new ATOM 0 HB3 GLN B 4 -1.965 -8.480 0.455 1.00 0.00 H new ATOM 0 HG2 GLN B 4 -4.289 -9.952 0.941 1.00 0.00 H new ATOM 0 HG3 GLN B 4 -4.615 -8.434 1.754 1.00 0.00 H new ATOM 0 HE21 GLN B 4 -2.745 -8.814 -1.360 1.00 0.00 H new ATOM 0 HE22 GLN B 4 -3.962 -7.973 -2.325 1.00 0.00 H new ATOM 376 N HIS B 5 -2.528 -10.124 4.291 1.00 0.00 N ATOM 377 CA HIS B 5 -3.061 -10.687 5.545 1.00 0.00 C ATOM 378 C HIS B 5 -4.502 -10.265 5.900 1.00 0.00 C ATOM 379 O HIS B 5 -4.916 -10.369 7.057 1.00 0.00 O ATOM 380 CB HIS B 5 -2.062 -10.449 6.691 1.00 0.00 C ATOM 381 CG HIS B 5 -0.688 -11.024 6.427 1.00 0.00 C ATOM 382 ND1 HIS B 5 0.318 -10.426 5.658 1.00 0.00 N ATOM 383 CD2 HIS B 5 -0.239 -12.232 6.875 1.00 0.00 C ATOM 384 CE1 HIS B 5 1.351 -11.288 5.670 1.00 0.00 C ATOM 385 NE2 HIS B 5 1.045 -12.378 6.396 1.00 0.00 N ATOM 0 H HIS B 5 -1.978 -9.277 4.433 1.00 0.00 H new ATOM 0 HA HIS B 5 -3.163 -11.760 5.380 1.00 0.00 H new ATOM 0 HB2 HIS B 5 -1.971 -9.377 6.865 1.00 0.00 H new ATOM 0 HB3 HIS B 5 -2.460 -10.888 7.606 1.00 0.00 H new ATOM 0 HD2 HIS B 5 -0.784 -12.937 7.486 1.00 0.00 H new ATOM 0 HE1 HIS B 5 2.293 -11.127 5.167 1.00 0.00 H new ATOM 0 HE2 HIS B 5 1.658 -13.176 6.563 1.00 0.00 H new ATOM 393 N LEU B 6 -5.283 -9.792 4.920 1.00 0.00 N ATOM 394 CA LEU B 6 -6.709 -9.474 5.082 1.00 0.00 C ATOM 395 C LEU B 6 -7.490 -10.746 5.468 1.00 0.00 C ATOM 396 O LEU B 6 -7.367 -11.783 4.811 1.00 0.00 O ATOM 397 CB LEU B 6 -7.207 -8.794 3.786 1.00 0.00 C ATOM 398 CG LEU B 6 -8.622 -8.175 3.774 1.00 0.00 C ATOM 399 CD1 LEU B 6 -9.759 -9.197 3.719 1.00 0.00 C ATOM 400 CD2 LEU B 6 -8.859 -7.225 4.949 1.00 0.00 C ATOM 0 H LEU B 6 -4.937 -9.616 3.977 1.00 0.00 H new ATOM 0 HA LEU B 6 -6.874 -8.771 5.898 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -6.498 -8.006 3.532 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -7.162 -9.533 2.986 1.00 0.00 H new ATOM 0 HG LEU B 6 -8.645 -7.611 2.842 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -10.716 -8.676 3.714 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -9.667 -9.796 2.813 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -9.705 -9.849 4.591 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -9.869 -6.819 4.891 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -8.740 -7.769 5.886 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -8.137 -6.409 4.909 1.00 0.00 H new ATOM 412 N CYS B 7 -8.256 -10.678 6.561 1.00 0.00 N ATOM 413 CA CYS B 7 -8.801 -11.846 7.261 1.00 0.00 C ATOM 414 C CYS B 7 -10.193 -11.570 7.881 1.00 0.00 C ATOM 415 O CYS B 7 -10.547 -10.420 8.155 1.00 0.00 O ATOM 416 CB CYS B 7 -7.741 -12.278 8.292 1.00 0.00 C ATOM 417 SG CYS B 7 -8.081 -13.764 9.269 1.00 0.00 S ATOM 0 H CYS B 7 -8.520 -9.792 6.993 1.00 0.00 H new ATOM 0 HA CYS B 7 -8.990 -12.663 6.564 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -6.800 -12.431 7.763 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -7.587 -11.449 8.983 1.00 0.00 H new ATOM 422 N GLY B 8 -10.985 -12.630 8.092 1.00 0.00 N ATOM 423 CA GLY B 8 -12.388 -12.597 8.544 1.00 0.00 C ATOM 424 C GLY B 8 -13.402 -12.953 7.443 1.00 0.00 C ATOM 425 O GLY B 8 -13.032 -13.130 6.278 1.00 0.00 O ATOM 0 H GLY B 8 -10.651 -13.582 7.946 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -12.509 -13.292 9.375 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -12.614 -11.601 8.925 1.00 0.00 H new ATOM 429 N SER B 9 -14.691 -13.064 7.795 1.00 0.00 N ATOM 430 CA SER B 9 -15.756 -13.534 6.878 1.00 0.00 C ATOM 431 C SER B 9 -15.962 -12.683 5.622 1.00 0.00 C ATOM 432 O SER B 9 -16.555 -13.165 4.659 1.00 0.00 O ATOM 433 CB SER B 9 -17.107 -13.681 7.588 1.00 0.00 C ATOM 434 OG SER B 9 -17.713 -12.423 7.858 1.00 0.00 O ATOM 0 H SER B 9 -15.033 -12.831 8.727 1.00 0.00 H new ATOM 0 HA SER B 9 -15.385 -14.505 6.551 1.00 0.00 H new ATOM 0 HB2 SER B 9 -17.777 -14.280 6.970 1.00 0.00 H new ATOM 0 HB3 SER B 9 -16.967 -14.223 8.523 1.00 0.00 H new ATOM 0 HG SER B 9 -18.310 -12.182 7.119 1.00 0.00 H new ATOM 440 N HIS B 10 -15.434 -11.457 5.552 1.00 0.00 N ATOM 441 CA HIS B 10 -15.453 -10.671 4.311 1.00 0.00 C ATOM 442 C HIS B 10 -14.696 -11.353 3.160 1.00 0.00 C ATOM 443 O HIS B 10 -15.094 -11.160 2.014 1.00 0.00 O ATOM 444 CB HIS B 10 -14.968 -9.237 4.573 1.00 0.00 C ATOM 445 CG HIS B 10 -15.945 -8.364 5.340 1.00 0.00 C ATOM 446 ND1 HIS B 10 -15.752 -7.006 5.619 1.00 0.00 N ATOM 447 CD2 HIS B 10 -17.175 -8.729 5.814 1.00 0.00 C ATOM 448 CE1 HIS B 10 -16.866 -6.589 6.247 1.00 0.00 C ATOM 449 NE2 HIS B 10 -17.736 -7.605 6.378 1.00 0.00 N ATOM 0 H HIS B 10 -14.988 -10.986 6.339 1.00 0.00 H new ATOM 0 HA HIS B 10 -16.488 -10.614 3.975 1.00 0.00 H new ATOM 0 HB2 HIS B 10 -14.030 -9.281 5.127 1.00 0.00 H new ATOM 0 HB3 HIS B 10 -14.751 -8.761 3.616 1.00 0.00 H new ATOM 0 HD2 HIS B 10 -17.621 -9.711 5.757 1.00 0.00 H new ATOM 0 HE1 HIS B 10 -17.037 -5.581 6.596 1.00 0.00 H new ATOM 0 HE2 HIS B 10 -18.654 -7.553 6.819 1.00 0.00 H new ATOM 457 N LEU B 11 -13.710 -12.227 3.427 1.00 0.00 N ATOM 458 CA LEU B 11 -13.113 -13.116 2.410 1.00 0.00 C ATOM 459 C LEU B 11 -13.710 -14.545 2.381 1.00 0.00 C ATOM 460 O LEU B 11 -13.154 -15.447 1.760 1.00 0.00 O ATOM 461 CB LEU B 11 -11.574 -13.087 2.483 1.00 0.00 C ATOM 462 CG LEU B 11 -10.954 -13.448 1.109 1.00 0.00 C ATOM 463 CD1 LEU B 11 -10.327 -12.219 0.452 1.00 0.00 C ATOM 464 CD2 LEU B 11 -9.895 -14.542 1.219 1.00 0.00 C ATOM 0 H LEU B 11 -13.303 -12.338 4.355 1.00 0.00 H new ATOM 0 HA LEU B 11 -13.396 -12.708 1.440 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -11.238 -12.097 2.790 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -11.227 -13.790 3.240 1.00 0.00 H new ATOM 0 HG LEU B 11 -11.773 -13.821 0.494 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -9.899 -12.499 -0.511 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -11.092 -11.457 0.301 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -9.542 -11.823 1.096 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -9.491 -14.759 0.230 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -9.091 -14.205 1.873 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -10.346 -15.444 1.633 1.00 0.00 H new ATOM 476 N VAL B 12 -14.868 -14.754 3.010 1.00 0.00 N ATOM 477 CA VAL B 12 -15.829 -15.815 2.647 1.00 0.00 C ATOM 478 C VAL B 12 -16.888 -15.222 1.712 1.00 0.00 C ATOM 479 O VAL B 12 -17.128 -15.728 0.619 1.00 0.00 O ATOM 480 CB VAL B 12 -16.475 -16.444 3.899 1.00 0.00 C ATOM 481 CG1 VAL B 12 -17.554 -17.472 3.543 1.00 0.00 C ATOM 482 CG2 VAL B 12 -15.424 -17.141 4.766 1.00 0.00 C ATOM 0 H VAL B 12 -15.176 -14.186 3.799 1.00 0.00 H new ATOM 0 HA VAL B 12 -15.301 -16.618 2.133 1.00 0.00 H new ATOM 0 HB VAL B 12 -16.935 -15.621 4.446 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -17.978 -17.886 4.458 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -18.341 -16.988 2.965 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -17.111 -18.274 2.953 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -15.905 -17.576 5.642 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -14.941 -17.929 4.189 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -14.676 -16.415 5.086 1.00 0.00 H new ATOM 492 N GLU B 13 -17.466 -14.087 2.106 1.00 0.00 N ATOM 493 CA GLU B 13 -18.515 -13.368 1.375 1.00 0.00 C ATOM 494 C GLU B 13 -18.028 -12.860 0.004 1.00 0.00 C ATOM 495 O GLU B 13 -18.720 -13.047 -0.999 1.00 0.00 O ATOM 496 CB GLU B 13 -19.027 -12.210 2.251 1.00 0.00 C ATOM 497 CG GLU B 13 -19.715 -12.692 3.544 1.00 0.00 C ATOM 498 CD GLU B 13 -19.801 -11.578 4.608 1.00 0.00 C ATOM 499 OE1 GLU B 13 -20.319 -10.477 4.300 1.00 0.00 O ATOM 500 OE2 GLU B 13 -19.369 -11.805 5.766 1.00 0.00 O1- ATOM 0 H GLU B 13 -17.208 -13.623 2.977 1.00 0.00 H new ATOM 0 HA GLU B 13 -19.332 -14.060 1.167 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -18.191 -11.561 2.511 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -19.730 -11.609 1.674 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -20.719 -13.046 3.309 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -19.165 -13.540 3.952 1.00 0.00 H new ATOM 507 N ALA B 14 -16.818 -12.289 -0.075 1.00 0.00 N ATOM 508 CA ALA B 14 -16.189 -11.920 -1.347 1.00 0.00 C ATOM 509 C ALA B 14 -15.663 -13.134 -2.136 1.00 0.00 C ATOM 510 O ALA B 14 -15.634 -13.090 -3.361 1.00 0.00 O ATOM 511 CB ALA B 14 -15.063 -10.913 -1.086 1.00 0.00 C ATOM 0 H ALA B 14 -16.249 -12.071 0.743 1.00 0.00 H new ATOM 0 HA ALA B 14 -16.958 -11.465 -1.972 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -14.595 -10.638 -2.031 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -15.474 -10.022 -0.612 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -14.318 -11.362 -0.429 1.00 0.00 H new ATOM 517 N LEU B 15 -15.291 -14.239 -1.482 1.00 0.00 N ATOM 518 CA LEU B 15 -14.841 -15.476 -2.145 1.00 0.00 C ATOM 519 C LEU B 15 -15.969 -16.104 -2.991 1.00 0.00 C ATOM 520 O LEU B 15 -15.727 -16.499 -4.134 1.00 0.00 O ATOM 521 CB LEU B 15 -14.188 -16.364 -1.061 1.00 0.00 C ATOM 522 CG LEU B 15 -13.935 -17.871 -1.260 1.00 0.00 C ATOM 523 CD1 LEU B 15 -15.144 -18.697 -0.827 1.00 0.00 C ATOM 524 CD2 LEU B 15 -13.481 -18.287 -2.659 1.00 0.00 C ATOM 0 H LEU B 15 -15.293 -14.304 -0.464 1.00 0.00 H new ATOM 0 HA LEU B 15 -14.074 -15.299 -2.899 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -13.222 -15.914 -0.831 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -14.805 -16.268 -0.167 1.00 0.00 H new ATOM 0 HG LEU B 15 -13.085 -18.084 -0.612 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -14.935 -19.756 -0.980 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -15.349 -18.516 0.228 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -16.012 -18.410 -1.420 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -13.332 -19.366 -2.687 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -14.242 -18.006 -3.387 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -12.544 -17.785 -2.902 1.00 0.00 H new ATOM 536 N TYR B 16 -17.223 -16.050 -2.526 1.00 0.00 N ATOM 537 CA TYR B 16 -18.409 -16.380 -3.340 1.00 0.00 C ATOM 538 C TYR B 16 -18.637 -15.458 -4.559 1.00 0.00 C ATOM 539 O TYR B 16 -19.395 -15.832 -5.455 1.00 0.00 O ATOM 540 CB TYR B 16 -19.658 -16.445 -2.446 1.00 0.00 C ATOM 541 CG TYR B 16 -19.703 -17.650 -1.519 1.00 0.00 C ATOM 542 CD1 TYR B 16 -19.803 -18.947 -2.064 1.00 0.00 C ATOM 543 CD2 TYR B 16 -19.679 -17.482 -0.120 1.00 0.00 C ATOM 544 CE1 TYR B 16 -19.852 -20.073 -1.219 1.00 0.00 C ATOM 545 CE2 TYR B 16 -19.733 -18.606 0.728 1.00 0.00 C ATOM 546 CZ TYR B 16 -19.812 -19.905 0.182 1.00 0.00 C ATOM 547 OH TYR B 16 -19.862 -20.984 1.011 1.00 0.00 O ATOM 0 H TYR B 16 -17.449 -15.775 -1.570 1.00 0.00 H new ATOM 0 HA TYR B 16 -18.212 -17.360 -3.774 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -19.708 -15.537 -1.845 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -20.544 -16.456 -3.080 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -19.842 -19.078 -3.135 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -19.619 -16.490 0.303 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -19.920 -21.064 -1.643 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -19.714 -18.473 1.800 1.00 0.00 H new ATOM 0 HH TYR B 16 -19.822 -20.683 1.943 1.00 0.00 H new ATOM 557 N LEU B 17 -17.968 -14.301 -4.647 1.00 0.00 N ATOM 558 CA LEU B 17 -17.938 -13.441 -5.842 1.00 0.00 C ATOM 559 C LEU B 17 -16.677 -13.672 -6.703 1.00 0.00 C ATOM 560 O LEU B 17 -16.765 -13.688 -7.931 1.00 0.00 O ATOM 561 CB LEU B 17 -18.056 -11.960 -5.423 1.00 0.00 C ATOM 562 CG LEU B 17 -19.284 -11.614 -4.556 1.00 0.00 C ATOM 563 CD1 LEU B 17 -19.227 -10.141 -4.148 1.00 0.00 C ATOM 564 CD2 LEU B 17 -20.603 -11.857 -5.293 1.00 0.00 C ATOM 0 H LEU B 17 -17.419 -13.927 -3.873 1.00 0.00 H new ATOM 0 HA LEU B 17 -18.791 -13.709 -6.465 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -17.156 -11.682 -4.875 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -18.083 -11.346 -6.323 1.00 0.00 H new ATOM 0 HG LEU B 17 -19.252 -12.266 -3.683 1.00 0.00 H new ATOM 0 HD11 LEU B 17 -20.096 -9.899 -3.536 1.00 0.00 H new ATOM 0 HD12 LEU B 17 -18.317 -9.957 -3.576 1.00 0.00 H new ATOM 0 HD13 LEU B 17 -19.227 -9.516 -5.041 1.00 0.00 H new ATOM 0 HD21 LEU B 17 -21.437 -11.599 -4.641 1.00 0.00 H new ATOM 0 HD22 LEU B 17 -20.638 -11.238 -6.190 1.00 0.00 H new ATOM 0 HD23 LEU B 17 -20.674 -12.908 -5.574 1.00 0.00 H new ATOM 576 N VAL B 18 -15.514 -13.873 -6.071 1.00 0.00 N ATOM 577 CA VAL B 18 -14.203 -14.058 -6.724 1.00 0.00 C ATOM 578 C VAL B 18 -14.113 -15.397 -7.464 1.00 0.00 C ATOM 579 O VAL B 18 -13.770 -15.407 -8.648 1.00 0.00 O ATOM 580 CB VAL B 18 -13.056 -13.899 -5.698 1.00 0.00 C ATOM 581 CG1 VAL B 18 -11.683 -14.346 -6.221 1.00 0.00 C ATOM 582 CG2 VAL B 18 -12.916 -12.432 -5.271 1.00 0.00 C ATOM 0 H VAL B 18 -15.453 -13.913 -5.054 1.00 0.00 H new ATOM 0 HA VAL B 18 -14.097 -13.277 -7.477 1.00 0.00 H new ATOM 0 HB VAL B 18 -13.336 -14.544 -4.865 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -10.933 -14.203 -5.443 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -11.724 -15.400 -6.496 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -11.416 -13.753 -7.096 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -12.105 -12.339 -4.549 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -12.697 -11.818 -6.145 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -13.847 -12.095 -4.815 1.00 0.00 H new ATOM 592 N CYS B 19 -14.433 -16.519 -6.804 1.00 0.00 N ATOM 593 CA CYS B 19 -14.453 -17.834 -7.462 1.00 0.00 C ATOM 594 C CYS B 19 -15.793 -18.094 -8.188 1.00 0.00 C ATOM 595 O CYS B 19 -15.819 -18.699 -9.259 1.00 0.00 O ATOM 596 CB CYS B 19 -14.072 -18.926 -6.452 1.00 0.00 C ATOM 597 SG CYS B 19 -13.380 -20.410 -7.239 1.00 0.00 S ATOM 0 H CYS B 19 -14.682 -16.543 -5.815 1.00 0.00 H new ATOM 0 HA CYS B 19 -13.702 -17.852 -8.251 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -13.345 -18.523 -5.746 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -14.955 -19.205 -5.876 1.00 0.00 H new ATOM 602 N GLY B 20 -16.898 -17.551 -7.660 1.00 0.00 N ATOM 603 CA GLY B 20 -18.187 -17.383 -8.346 1.00 0.00 C ATOM 604 C GLY B 20 -19.058 -18.635 -8.548 1.00 0.00 C ATOM 605 O GLY B 20 -20.195 -18.682 -8.077 1.00 0.00 O ATOM 0 H GLY B 20 -16.919 -17.202 -6.702 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -18.772 -16.654 -7.786 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -17.991 -16.949 -9.326 1.00 0.00 H new ATOM 609 N GLU B 21 -18.578 -19.613 -9.319 1.00 0.00 N ATOM 610 CA GLU B 21 -19.441 -20.523 -10.099 1.00 0.00 C ATOM 611 C GLU B 21 -19.967 -21.771 -9.358 1.00 0.00 C ATOM 612 O GLU B 21 -21.179 -21.996 -9.298 1.00 0.00 O ATOM 613 CB GLU B 21 -18.796 -20.916 -11.456 1.00 0.00 C ATOM 614 CG GLU B 21 -17.343 -20.489 -11.753 1.00 0.00 C ATOM 615 CD GLU B 21 -16.269 -21.263 -10.959 1.00 0.00 C ATOM 616 OE1 GLU B 21 -15.090 -21.284 -11.386 1.00 0.00 O ATOM 617 OE2 GLU B 21 -16.583 -21.890 -9.922 1.00 0.00 O1- ATOM 0 H GLU B 21 -17.581 -19.802 -9.425 1.00 0.00 H new ATOM 0 HA GLU B 21 -20.331 -19.921 -10.281 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -18.842 -22.002 -11.538 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -19.425 -20.510 -12.248 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -17.151 -20.618 -12.818 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -17.240 -19.426 -11.537 1.00 0.00 H new ATOM 624 N ARG B 22 -19.065 -22.619 -8.849 1.00 0.00 N ATOM 625 CA ARG B 22 -19.331 -24.036 -8.515 1.00 0.00 C ATOM 626 C ARG B 22 -20.296 -24.304 -7.352 1.00 0.00 C ATOM 627 O ARG B 22 -20.986 -25.326 -7.379 1.00 0.00 O ATOM 628 CB ARG B 22 -17.974 -24.724 -8.263 1.00 0.00 C ATOM 629 CG ARG B 22 -17.354 -25.236 -9.574 1.00 0.00 C ATOM 630 CD ARG B 22 -15.846 -25.476 -9.439 1.00 0.00 C ATOM 631 NE ARG B 22 -15.097 -24.226 -9.627 1.00 0.00 N ATOM 632 CZ ARG B 22 -13.790 -24.060 -9.652 1.00 0.00 C ATOM 633 NH1 ARG B 22 -12.945 -25.017 -9.418 1.00 0.00 N1+ ATOM 634 NH2 ARG B 22 -13.312 -22.891 -9.942 1.00 0.00 N ATOM 0 H ARG B 22 -18.105 -22.338 -8.651 1.00 0.00 H new ATOM 0 HA ARG B 22 -19.862 -24.451 -9.372 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -17.291 -24.021 -7.785 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -18.109 -25.557 -7.573 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -17.844 -26.164 -9.869 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -17.537 -24.512 -10.369 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -15.627 -25.892 -8.456 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -15.524 -26.212 -10.175 1.00 0.00 H new ATOM 0 HE ARG B 22 -15.658 -23.383 -9.754 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -13.283 -25.955 -9.201 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -11.943 -24.832 -9.451 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -13.945 -22.118 -10.146 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -12.303 -22.744 -9.966 1.00 0.00 H new ATOM 648 N GLY B 23 -20.344 -23.436 -6.339 1.00 0.00 N ATOM 649 CA GLY B 23 -20.959 -23.733 -5.034 1.00 0.00 C ATOM 650 C GLY B 23 -20.054 -24.660 -4.208 1.00 0.00 C ATOM 651 O GLY B 23 -19.883 -25.839 -4.525 1.00 0.00 O ATOM 0 H GLY B 23 -19.954 -22.495 -6.398 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -21.133 -22.806 -4.489 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -21.931 -24.203 -5.183 1.00 0.00 H new ATOM 655 N PHE B 24 -19.387 -24.094 -3.201 1.00 0.00 N ATOM 656 CA PHE B 24 -18.095 -24.602 -2.714 1.00 0.00 C ATOM 657 C PHE B 24 -18.211 -25.618 -1.568 1.00 0.00 C ATOM 658 O PHE B 24 -19.206 -25.651 -0.837 1.00 0.00 O ATOM 659 CB PHE B 24 -17.202 -23.407 -2.347 1.00 0.00 C ATOM 660 CG PHE B 24 -17.170 -22.271 -3.363 1.00 0.00 C ATOM 661 CD1 PHE B 24 -16.972 -20.962 -2.898 1.00 0.00 C ATOM 662 CD2 PHE B 24 -17.385 -22.488 -4.743 1.00 0.00 C ATOM 663 CE1 PHE B 24 -17.028 -19.880 -3.788 1.00 0.00 C ATOM 664 CE2 PHE B 24 -17.498 -21.398 -5.623 1.00 0.00 C ATOM 665 CZ PHE B 24 -17.332 -20.092 -5.140 1.00 0.00 C ATOM 0 H PHE B 24 -19.723 -23.272 -2.698 1.00 0.00 H new ATOM 0 HA PHE B 24 -17.635 -25.172 -3.521 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -17.538 -23.006 -1.391 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -16.184 -23.769 -2.201 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -16.776 -20.787 -1.850 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -17.463 -23.496 -5.123 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -16.836 -18.879 -3.430 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -17.712 -21.566 -6.668 1.00 0.00 H new ATOM 0 HZ PHE B 24 -17.438 -19.251 -5.809 1.00 0.00 H new ATOM 675 N PHE B 25 -17.180 -26.455 -1.410 1.00 0.00 N ATOM 676 CA PHE B 25 -17.161 -27.556 -0.441 1.00 0.00 C ATOM 677 C PHE B 25 -16.854 -27.068 0.986 1.00 0.00 C ATOM 678 O PHE B 25 -17.643 -27.308 1.902 1.00 0.00 O ATOM 679 CB PHE B 25 -16.166 -28.619 -0.936 1.00 0.00 C ATOM 680 CG PHE B 25 -16.178 -29.917 -0.151 1.00 0.00 C ATOM 681 CD1 PHE B 25 -17.326 -30.733 -0.167 1.00 0.00 C ATOM 682 CD2 PHE B 25 -15.033 -30.339 0.553 1.00 0.00 C ATOM 683 CE1 PHE B 25 -17.334 -31.958 0.524 1.00 0.00 C ATOM 684 CE2 PHE B 25 -15.038 -31.571 1.232 1.00 0.00 C ATOM 685 CZ PHE B 25 -16.189 -32.378 1.223 1.00 0.00 C ATOM 0 H PHE B 25 -16.323 -26.386 -1.959 1.00 0.00 H new ATOM 0 HA PHE B 25 -18.153 -28.004 -0.375 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -16.383 -28.841 -1.981 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -15.161 -28.199 -0.901 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -18.203 -30.417 -0.712 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -14.151 -29.716 0.571 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -18.220 -32.576 0.518 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -14.155 -31.898 1.762 1.00 0.00 H new ATOM 0 HZ PHE B 25 -16.194 -33.319 1.752 1.00 0.00 H new ATOM 695 N TYR B 26 -15.735 -26.345 1.155 1.00 0.00 N ATOM 696 CA TYR B 26 -15.359 -25.560 2.348 1.00 0.00 C ATOM 697 C TYR B 26 -15.592 -26.291 3.697 1.00 0.00 C ATOM 698 O TYR B 26 -16.122 -25.726 4.656 1.00 0.00 O ATOM 699 CB TYR B 26 -15.995 -24.152 2.252 1.00 0.00 C ATOM 700 CG TYR B 26 -15.178 -22.982 2.800 1.00 0.00 C ATOM 701 CD1 TYR B 26 -14.383 -23.103 3.961 1.00 0.00 C ATOM 702 CD2 TYR B 26 -15.224 -21.741 2.128 1.00 0.00 C ATOM 703 CE1 TYR B 26 -13.646 -22.005 4.441 1.00 0.00 C ATOM 704 CE2 TYR B 26 -14.482 -20.641 2.603 1.00 0.00 C ATOM 705 CZ TYR B 26 -13.691 -20.771 3.762 1.00 0.00 C ATOM 706 OH TYR B 26 -12.978 -19.712 4.230 1.00 0.00 O ATOM 0 H TYR B 26 -15.027 -26.288 0.423 1.00 0.00 H new ATOM 0 HA TYR B 26 -14.276 -25.436 2.349 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -16.214 -23.950 1.204 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -16.949 -24.175 2.779 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -14.340 -24.047 4.485 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -15.833 -21.634 1.243 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -13.044 -22.108 5.332 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -14.520 -19.698 2.078 1.00 0.00 H new ATOM 0 HH TYR B 26 -12.926 -19.021 3.537 1.00 0.00 H new ATOM 716 N THR B 27 -15.217 -27.575 3.777 1.00 0.00 N ATOM 717 CA THR B 27 -15.500 -28.421 4.954 1.00 0.00 C ATOM 718 C THR B 27 -14.751 -28.052 6.259 1.00 0.00 C ATOM 719 O THR B 27 -15.374 -28.152 7.323 1.00 0.00 O ATOM 720 CB THR B 27 -15.386 -29.919 4.603 1.00 0.00 C ATOM 721 OG1 THR B 27 -15.936 -30.704 5.639 1.00 0.00 O ATOM 722 CG2 THR B 27 -13.965 -30.436 4.371 1.00 0.00 C ATOM 0 H THR B 27 -14.712 -28.058 3.034 1.00 0.00 H new ATOM 0 HA THR B 27 -16.537 -28.200 5.206 1.00 0.00 H new ATOM 0 HB THR B 27 -15.927 -30.008 3.661 1.00 0.00 H new ATOM 0 HG1 THR B 27 -15.860 -31.653 5.406 1.00 0.00 H new ATOM 0 HG21 THR B 27 -13.999 -31.499 4.131 1.00 0.00 H new ATOM 0 HG22 THR B 27 -13.510 -29.892 3.543 1.00 0.00 H new ATOM 0 HG23 THR B 27 -13.372 -30.286 5.273 1.00 0.00 H new ATOM 730 N PRO B 28 -13.476 -27.585 6.271 1.00 0.00 N ATOM 731 CA PRO B 28 -12.737 -27.354 7.518 1.00 0.00 C ATOM 732 C PRO B 28 -13.031 -25.962 8.110 1.00 0.00 C ATOM 733 O PRO B 28 -12.163 -25.085 8.111 1.00 0.00 O ATOM 734 CB PRO B 28 -11.269 -27.579 7.143 1.00 0.00 C ATOM 735 CG PRO B 28 -11.199 -27.018 5.727 1.00 0.00 C ATOM 736 CD PRO B 28 -12.574 -27.350 5.142 1.00 0.00 C ATOM 0 HA PRO B 28 -13.035 -28.030 8.319 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -10.593 -27.057 7.820 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -10.999 -28.635 7.175 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -11.013 -25.944 5.730 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -10.396 -27.479 5.152 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -12.937 -26.530 4.523 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -12.518 -28.231 4.503 1.00 0.00 H new ATOM 744 N LYS B 29 -14.254 -25.782 8.630 1.00 0.00 N ATOM 745 CA LYS B 29 -14.845 -24.546 9.195 1.00 0.00 C ATOM 746 C LYS B 29 -15.039 -23.408 8.179 1.00 0.00 C ATOM 747 O LYS B 29 -14.078 -22.910 7.590 1.00 0.00 O ATOM 748 CB LYS B 29 -14.025 -24.025 10.394 1.00 0.00 C ATOM 749 CG LYS B 29 -13.795 -25.014 11.556 1.00 0.00 C ATOM 750 CD LYS B 29 -12.368 -24.907 12.125 1.00 0.00 C ATOM 751 CE LYS B 29 -12.003 -23.474 12.544 1.00 0.00 C ATOM 752 NZ LYS B 29 -10.545 -23.320 12.778 1.00 0.00 N1+ ATOM 0 H LYS B 29 -14.915 -26.558 8.673 1.00 0.00 H new ATOM 0 HA LYS B 29 -15.840 -24.847 9.523 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -13.052 -23.700 10.026 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -14.526 -23.143 10.792 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -14.518 -24.818 12.348 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -13.972 -26.032 11.208 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -12.274 -25.568 12.986 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -11.656 -25.255 11.377 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -12.322 -22.777 11.769 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -12.546 -23.212 13.452 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -10.274 -22.325 12.640 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -10.317 -23.609 13.751 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -10.021 -23.918 12.108 1.00 0.00 H new ATOM 766 N THR B 30 -16.270 -22.906 8.064 1.00 0.00 N ATOM 767 CA THR B 30 -16.554 -21.601 7.435 1.00 0.00 C ATOM 768 C THR B 30 -16.050 -20.476 8.350 1.00 0.00 C ATOM 769 O THR B 30 -16.339 -20.470 9.550 1.00 0.00 O ATOM 770 CB THR B 30 -18.054 -21.421 7.146 1.00 0.00 C ATOM 771 OG1 THR B 30 -18.536 -22.518 6.397 1.00 0.00 O ATOM 772 CG2 THR B 30 -18.333 -20.158 6.327 1.00 0.00 C ATOM 0 H THR B 30 -17.103 -23.388 8.402 1.00 0.00 H new ATOM 0 HA THR B 30 -16.033 -21.562 6.478 1.00 0.00 H new ATOM 0 HB THR B 30 -18.552 -21.346 8.113 1.00 0.00 H new ATOM 0 HG1 THR B 30 -19.492 -22.397 6.218 1.00 0.00 H new ATOM 0 HG21 THR B 30 -19.404 -20.071 6.146 1.00 0.00 H new ATOM 0 HG22 THR B 30 -17.985 -19.284 6.877 1.00 0.00 H new ATOM 0 HG23 THR B 30 -17.808 -20.219 5.374 1.00 0.00 H new ATOM 780 N ARG B 31 -15.259 -19.543 7.809 1.00 0.00 N ATOM 781 CA ARG B 31 -14.494 -18.552 8.593 1.00 0.00 C ATOM 782 C ARG B 31 -15.318 -17.336 9.053 1.00 0.00 C ATOM 783 O ARG B 31 -16.124 -16.790 8.297 1.00 0.00 O ATOM 784 CB ARG B 31 -13.247 -18.151 7.785 1.00 0.00 C ATOM 785 CG ARG B 31 -12.152 -19.237 7.866 1.00 0.00 C ATOM 786 CD ARG B 31 -11.002 -18.903 8.828 1.00 0.00 C ATOM 787 NE ARG B 31 -11.406 -18.881 10.248 1.00 0.00 N ATOM 788 CZ ARG B 31 -11.756 -17.839 10.977 1.00 0.00 C ATOM 789 NH1 ARG B 31 -11.786 -16.630 10.506 1.00 0.00 N1+ ATOM 790 NH2 ARG B 31 -12.124 -17.990 12.212 1.00 0.00 N ATOM 0 H ARG B 31 -15.127 -19.449 6.802 1.00 0.00 H new ATOM 0 HA ARG B 31 -14.193 -19.022 9.530 1.00 0.00 H new ATOM 0 HB2 ARG B 31 -13.523 -17.987 6.743 1.00 0.00 H new ATOM 0 HB3 ARG B 31 -12.854 -17.207 8.163 1.00 0.00 H new ATOM 0 HG2 ARG B 31 -12.610 -20.176 8.177 1.00 0.00 H new ATOM 0 HG3 ARG B 31 -11.741 -19.398 6.869 1.00 0.00 H new ATOM 0 HD2 ARG B 31 -10.206 -19.636 8.697 1.00 0.00 H new ATOM 0 HD3 ARG B 31 -10.588 -17.931 8.562 1.00 0.00 H new ATOM 0 HE ARG B 31 -11.416 -19.783 10.724 1.00 0.00 H new ATOM 0 HH11 ARG B 31 -11.532 -16.455 9.534 1.00 0.00 H new ATOM 0 HH12 ARG B 31 -12.063 -15.855 11.108 1.00 0.00 H new ATOM 0 HH21 ARG B 31 -12.145 -18.921 12.628 1.00 0.00 H new ATOM 0 HH22 ARG B 31 -12.393 -17.178 12.767 1.00 0.00 H new ATOM 804 N ARG B 32 -15.058 -16.904 10.295 1.00 0.00 N ATOM 805 CA ARG B 32 -15.615 -15.727 10.998 1.00 0.00 C ATOM 806 C ARG B 32 -14.549 -14.647 11.193 1.00 0.00 C ATOM 807 O ARG B 32 -14.784 -13.521 10.704 1.00 0.00 O ATOM 808 CB ARG B 32 -16.286 -16.209 12.306 1.00 0.00 C ATOM 809 CG ARG B 32 -16.419 -15.228 13.493 1.00 0.00 C ATOM 810 CD ARG B 32 -16.969 -13.820 13.222 1.00 0.00 C ATOM 811 NE ARG B 32 -18.190 -13.812 12.393 1.00 0.00 N ATOM 812 CZ ARG B 32 -18.348 -13.188 11.241 1.00 0.00 C ATOM 813 NH1 ARG B 32 -17.377 -12.578 10.636 1.00 0.00 N1+ ATOM 814 NH2 ARG B 32 -19.502 -13.173 10.643 1.00 0.00 N ATOM 815 OXT ARG B 32 -13.496 -14.947 11.798 1.00 0.00 O1- ATOM 0 H ARG B 32 -14.398 -17.407 10.888 1.00 0.00 H new ATOM 0 HA ARG B 32 -16.386 -15.244 10.398 1.00 0.00 H new ATOM 0 HB2 ARG B 32 -17.288 -16.554 12.052 1.00 0.00 H new ATOM 0 HB3 ARG B 32 -15.730 -17.077 12.659 1.00 0.00 H new ATOM 0 HG2 ARG B 32 -17.060 -15.696 14.240 1.00 0.00 H new ATOM 0 HG3 ARG B 32 -15.433 -15.118 13.944 1.00 0.00 H new ATOM 0 HD2 ARG B 32 -17.183 -13.333 14.174 1.00 0.00 H new ATOM 0 HD3 ARG B 32 -16.200 -13.228 12.727 1.00 0.00 H new ATOM 0 HE ARG B 32 -18.989 -14.340 12.744 1.00 0.00 H new ATOM 0 HH11 ARG B 32 -16.445 -12.568 11.050 1.00 0.00 H new ATOM 0 HH12 ARG B 32 -17.545 -12.108 9.746 1.00 0.00 H new ATOM 0 HH21 ARG B 32 -20.301 -13.648 11.064 1.00 0.00 H new ATOM 0 HH22 ARG B 32 -19.609 -12.686 9.753 1.00 0.00 H new TER 829 ARG B 32