USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 381 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 -160:sc= 1.27 USER MOD Set 1.2: B 30 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: B 1 PHE N :NH3+ 177:sc= 0.388 (180deg=0) USER MOD Set 2.2: B 3 ASN : amide:sc= 0.345 K(o=0.73,f=-1.5) USER MOD Set 3.1: A 1 GLY N :NH3+ -171:sc= 0.704 (180deg=0) USER MOD Set 3.2: A 5 GLN : amide:sc= 0.631 K(o=1.3,f=-1.7) USER MOD Set 3.3: A 19 TYR OH : rot 150:sc= 0 USER MOD Single : A 8 THR OG1 : rot -72:sc= 1.2 USER MOD Single : A 9 SER OG : rot 180:sc= 0.229 USER MOD Single : A 12 SER OG : rot 180:sc= 0.147 USER MOD Single : A 14 TYR OH : rot -163:sc= 0.219 USER MOD Single : A 15 GLN : amide:sc= 0.563 K(o=0.56,f=-5.5!) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : B 4 GLN : amide:sc= 0.813 K(o=0.81,f=0) USER MOD Single : B 5 HIS : no HE2:sc= 0.754 K(o=0.75,f=-2.5!) USER MOD Single : B 9 SER OG : rot 180:sc= 0.00232 USER MOD Single : B 10 HIS : no HE2:sc= 0.102 K(o=0.1,f=-1.3) 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+ -144:sc= 0.871 (180deg=0.249) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.298 7.954 0.420 1.00 0.00 N ATOM 2 CA GLY A 1 -0.934 8.168 -0.898 1.00 0.00 C ATOM 3 C GLY A 1 -0.413 7.186 -1.935 1.00 0.00 C ATOM 4 O GLY A 1 0.354 6.275 -1.624 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.781 8.533 1.137 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.369 6.950 0.681 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.704 8.229 0.371 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.014 8.060 -0.803 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.744 9.188 -1.233 1.00 0.00 H new ATOM 10 N ILE A 2 -0.835 7.366 -3.186 1.00 0.00 N ATOM 11 CA ILE A 2 -0.614 6.454 -4.323 1.00 0.00 C ATOM 12 C ILE A 2 -0.949 7.100 -5.680 1.00 0.00 C ATOM 13 O ILE A 2 -0.047 7.180 -6.511 1.00 0.00 O ATOM 14 CB ILE A 2 -1.318 5.089 -4.088 1.00 0.00 C ATOM 15 CG1 ILE A 2 -1.132 4.171 -5.308 1.00 0.00 C ATOM 16 CG2 ILE A 2 -2.800 5.215 -3.694 1.00 0.00 C ATOM 17 CD1 ILE A 2 -1.505 2.714 -5.044 1.00 0.00 C ATOM 0 H ILE A 2 -1.369 8.193 -3.455 1.00 0.00 H new ATOM 0 HA ILE A 2 0.455 6.246 -4.377 1.00 0.00 H new ATOM 0 HB ILE A 2 -0.831 4.634 -3.226 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -1.739 4.548 -6.131 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -0.092 4.218 -5.631 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -3.223 4.221 -3.547 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -2.883 5.785 -2.769 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -3.345 5.728 -4.487 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -1.348 2.128 -5.950 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -0.881 2.318 -4.243 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -2.553 2.654 -4.751 1.00 0.00 H new ATOM 29 N VAL A 3 -2.178 7.577 -5.929 1.00 0.00 N ATOM 30 CA VAL A 3 -2.614 7.992 -7.287 1.00 0.00 C ATOM 31 C VAL A 3 -2.015 9.337 -7.741 1.00 0.00 C ATOM 32 O VAL A 3 -1.866 9.553 -8.941 1.00 0.00 O ATOM 33 CB VAL A 3 -4.156 7.976 -7.416 1.00 0.00 C ATOM 34 CG1 VAL A 3 -4.695 8.569 -8.731 1.00 0.00 C ATOM 35 CG2 VAL A 3 -4.637 6.518 -7.336 1.00 0.00 C ATOM 0 H VAL A 3 -2.894 7.688 -5.212 1.00 0.00 H new ATOM 0 HA VAL A 3 -2.212 7.246 -7.973 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.532 8.600 -6.605 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -5.784 8.516 -8.735 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -4.382 9.610 -8.816 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -4.302 8.001 -9.574 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.723 6.488 -7.425 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.190 5.942 -8.147 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.339 6.089 -6.379 1.00 0.00 H new ATOM 45 N GLU A 4 -1.610 10.213 -6.816 1.00 0.00 N ATOM 46 CA GLU A 4 -0.737 11.357 -7.114 1.00 0.00 C ATOM 47 C GLU A 4 0.705 11.036 -6.700 1.00 0.00 C ATOM 48 O GLU A 4 1.638 11.305 -7.461 1.00 0.00 O ATOM 49 CB GLU A 4 -1.221 12.619 -6.384 1.00 0.00 C ATOM 50 CG GLU A 4 -2.623 13.081 -6.806 1.00 0.00 C ATOM 51 CD GLU A 4 -2.695 13.519 -8.278 1.00 0.00 C ATOM 52 OE1 GLU A 4 -1.930 14.425 -8.691 1.00 0.00 O ATOM 53 OE2 GLU A 4 -3.553 12.996 -9.027 1.00 0.00 O ATOM 0 H GLU A 4 -1.879 10.150 -5.834 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.772 11.545 -8.187 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.219 12.430 -5.311 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -0.512 13.427 -6.566 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.332 12.270 -6.639 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.932 13.911 -6.170 1.00 0.00 H new ATOM 60 N GLN A 5 0.898 10.444 -5.513 1.00 0.00 N ATOM 61 CA GLN A 5 2.212 10.224 -4.915 1.00 0.00 C ATOM 62 C GLN A 5 3.138 9.365 -5.790 1.00 0.00 C ATOM 63 O GLN A 5 4.298 9.731 -5.959 1.00 0.00 O ATOM 64 CB GLN A 5 2.028 9.591 -3.523 1.00 0.00 C ATOM 65 CG GLN A 5 3.357 9.479 -2.750 1.00 0.00 C ATOM 66 CD GLN A 5 3.205 8.848 -1.363 1.00 0.00 C ATOM 67 OE1 GLN A 5 2.162 8.895 -0.719 1.00 0.00 O ATOM 68 NE2 GLN A 5 4.241 8.224 -0.841 1.00 0.00 N ATOM 0 H GLN A 5 0.130 10.101 -4.936 1.00 0.00 H new ATOM 0 HA GLN A 5 2.704 11.192 -4.826 1.00 0.00 H new ATOM 0 HB2 GLN A 5 1.323 10.189 -2.945 1.00 0.00 H new ATOM 0 HB3 GLN A 5 1.589 8.599 -3.633 1.00 0.00 H new ATOM 0 HG2 GLN A 5 4.060 8.886 -3.335 1.00 0.00 H new ATOM 0 HG3 GLN A 5 3.791 10.473 -2.643 1.00 0.00 H new ATOM 0 HE21 GLN A 5 5.119 8.172 -1.358 1.00 0.00 H new ATOM 0 HE22 GLN A 5 4.165 7.793 0.080 1.00 0.00 H new ATOM 77 N CYS A 6 2.666 8.250 -6.362 1.00 0.00 N ATOM 78 CA CYS A 6 3.527 7.357 -7.158 1.00 0.00 C ATOM 79 C CYS A 6 3.669 7.795 -8.627 1.00 0.00 C ATOM 80 O CYS A 6 4.599 7.381 -9.323 1.00 0.00 O ATOM 81 CB CYS A 6 3.010 5.921 -7.039 1.00 0.00 C ATOM 82 SG CYS A 6 4.314 4.684 -7.255 1.00 0.00 S ATOM 0 H CYS A 6 1.696 7.943 -6.291 1.00 0.00 H new ATOM 0 HA CYS A 6 4.536 7.415 -6.749 1.00 0.00 H new ATOM 0 HB2 CYS A 6 2.547 5.787 -6.062 1.00 0.00 H new ATOM 0 HB3 CYS A 6 2.233 5.757 -7.785 1.00 0.00 H new ATOM 87 N CYS A 7 2.778 8.670 -9.100 1.00 0.00 N ATOM 88 CA CYS A 7 2.887 9.322 -10.401 1.00 0.00 C ATOM 89 C CYS A 7 3.931 10.459 -10.387 1.00 0.00 C ATOM 90 O CYS A 7 4.689 10.605 -11.349 1.00 0.00 O ATOM 91 CB CYS A 7 1.508 9.893 -10.755 1.00 0.00 C ATOM 92 SG CYS A 7 0.202 8.709 -11.180 1.00 0.00 S ATOM 0 H CYS A 7 1.947 8.948 -8.578 1.00 0.00 H new ATOM 0 HA CYS A 7 3.215 8.591 -11.140 1.00 0.00 H new ATOM 0 HB2 CYS A 7 1.162 10.488 -9.910 1.00 0.00 H new ATOM 0 HB3 CYS A 7 1.631 10.576 -11.596 1.00 0.00 H new ATOM 97 N THR A 8 3.957 11.267 -9.311 1.00 0.00 N ATOM 98 CA THR A 8 4.811 12.466 -9.167 1.00 0.00 C ATOM 99 C THR A 8 6.130 12.175 -8.453 1.00 0.00 C ATOM 100 O THR A 8 7.163 12.732 -8.823 1.00 0.00 O ATOM 101 CB THR A 8 4.067 13.595 -8.438 1.00 0.00 C ATOM 102 OG1 THR A 8 3.630 13.176 -7.164 1.00 0.00 O ATOM 103 CG2 THR A 8 2.856 14.087 -9.235 1.00 0.00 C ATOM 0 H THR A 8 3.369 11.101 -8.494 1.00 0.00 H new ATOM 0 HA THR A 8 5.049 12.786 -10.181 1.00 0.00 H new ATOM 0 HB THR A 8 4.778 14.414 -8.332 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.886 12.546 -7.264 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.358 14.885 -8.684 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.186 14.465 -10.203 1.00 0.00 H new ATOM 0 HG23 THR A 8 2.160 13.262 -9.386 1.00 0.00 H new ATOM 111 N SER A 9 6.113 11.288 -7.466 1.00 0.00 N ATOM 112 CA SER A 9 7.278 10.782 -6.735 1.00 0.00 C ATOM 113 C SER A 9 7.373 9.244 -6.877 1.00 0.00 C ATOM 114 O SER A 9 6.830 8.664 -7.818 1.00 0.00 O ATOM 115 CB SER A 9 7.184 11.246 -5.269 1.00 0.00 C ATOM 116 OG SER A 9 8.415 11.053 -4.586 1.00 0.00 O ATOM 0 H SER A 9 5.241 10.877 -7.133 1.00 0.00 H new ATOM 0 HA SER A 9 8.200 11.185 -7.154 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.909 12.300 -5.236 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.393 10.694 -4.761 1.00 0.00 H new ATOM 0 HG SER A 9 8.326 11.358 -3.659 1.00 0.00 H new ATOM 122 N ILE A 10 8.099 8.568 -5.985 1.00 0.00 N ATOM 123 CA ILE A 10 8.328 7.112 -5.993 1.00 0.00 C ATOM 124 C ILE A 10 7.451 6.432 -4.930 1.00 0.00 C ATOM 125 O ILE A 10 7.275 6.966 -3.831 1.00 0.00 O ATOM 126 CB ILE A 10 9.845 6.849 -5.782 1.00 0.00 C ATOM 127 CG1 ILE A 10 10.626 7.331 -7.028 1.00 0.00 C ATOM 128 CG2 ILE A 10 10.159 5.374 -5.486 1.00 0.00 C ATOM 129 CD1 ILE A 10 12.151 7.193 -6.932 1.00 0.00 C ATOM 0 H ILE A 10 8.564 9.032 -5.205 1.00 0.00 H new ATOM 0 HA ILE A 10 8.040 6.679 -6.951 1.00 0.00 H new ATOM 0 HB ILE A 10 10.159 7.412 -4.903 1.00 0.00 H new ATOM 0 HG12 ILE A 10 10.279 6.769 -7.895 1.00 0.00 H new ATOM 0 HG13 ILE A 10 10.382 8.378 -7.209 1.00 0.00 H new ATOM 0 HG21 ILE A 10 11.233 5.251 -5.348 1.00 0.00 H new ATOM 0 HG22 ILE A 10 9.639 5.066 -4.579 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.828 4.757 -6.321 1.00 0.00 H new ATOM 0 HD11 ILE A 10 12.608 7.557 -7.852 1.00 0.00 H new ATOM 0 HD12 ILE A 10 12.517 7.779 -6.089 1.00 0.00 H new ATOM 0 HD13 ILE A 10 12.413 6.145 -6.786 1.00 0.00 H new ATOM 141 N CYS A 11 6.958 5.223 -5.224 1.00 0.00 N ATOM 142 CA CYS A 11 6.389 4.304 -4.224 1.00 0.00 C ATOM 143 C CYS A 11 6.956 2.880 -4.335 1.00 0.00 C ATOM 144 O CYS A 11 7.481 2.476 -5.376 1.00 0.00 O ATOM 145 CB CYS A 11 4.854 4.298 -4.275 1.00 0.00 C ATOM 146 SG CYS A 11 4.070 3.435 -5.669 1.00 0.00 S ATOM 0 H CYS A 11 6.942 4.849 -6.173 1.00 0.00 H new ATOM 0 HA CYS A 11 6.692 4.685 -3.249 1.00 0.00 H new ATOM 0 HB2 CYS A 11 4.488 3.850 -3.352 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.513 5.333 -4.284 1.00 0.00 H new ATOM 151 N SER A 12 6.875 2.120 -3.248 1.00 0.00 N ATOM 152 CA SER A 12 7.309 0.717 -3.171 1.00 0.00 C ATOM 153 C SER A 12 6.166 -0.285 -3.402 1.00 0.00 C ATOM 154 O SER A 12 4.987 0.046 -3.255 1.00 0.00 O ATOM 155 CB SER A 12 7.986 0.445 -1.822 1.00 0.00 C ATOM 156 OG SER A 12 7.047 0.432 -0.757 1.00 0.00 O ATOM 0 H SER A 12 6.496 2.467 -2.367 1.00 0.00 H new ATOM 0 HA SER A 12 8.023 0.568 -3.981 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.505 -0.513 -1.862 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.740 1.209 -1.633 1.00 0.00 H new ATOM 0 HG SER A 12 7.512 0.254 0.087 1.00 0.00 H new ATOM 162 N LEU A 13 6.507 -1.545 -3.699 1.00 0.00 N ATOM 163 CA LEU A 13 5.532 -2.640 -3.777 1.00 0.00 C ATOM 164 C LEU A 13 4.825 -2.871 -2.432 1.00 0.00 C ATOM 165 O LEU A 13 3.637 -3.185 -2.394 1.00 0.00 O ATOM 166 CB LEU A 13 6.241 -3.924 -4.239 1.00 0.00 C ATOM 167 CG LEU A 13 6.935 -3.851 -5.616 1.00 0.00 C ATOM 168 CD1 LEU A 13 7.441 -5.254 -5.990 1.00 0.00 C ATOM 169 CD2 LEU A 13 6.037 -3.310 -6.740 1.00 0.00 C ATOM 0 H LEU A 13 7.466 -1.834 -3.892 1.00 0.00 H new ATOM 0 HA LEU A 13 4.765 -2.364 -4.501 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.987 -4.194 -3.491 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.509 -4.731 -4.265 1.00 0.00 H new ATOM 0 HG LEU A 13 7.757 -3.142 -5.520 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.934 -5.216 -6.962 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.150 -5.598 -5.237 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.599 -5.944 -6.037 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.597 -3.290 -7.675 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.166 -3.956 -6.853 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.710 -2.300 -6.491 1.00 0.00 H new ATOM 181 N TYR A 14 5.527 -2.655 -1.318 1.00 0.00 N ATOM 182 CA TYR A 14 4.955 -2.706 0.030 1.00 0.00 C ATOM 183 C TYR A 14 3.913 -1.600 0.274 1.00 0.00 C ATOM 184 O TYR A 14 2.916 -1.821 0.964 1.00 0.00 O ATOM 185 CB TYR A 14 6.095 -2.610 1.056 1.00 0.00 C ATOM 186 CG TYR A 14 7.185 -3.654 0.887 1.00 0.00 C ATOM 187 CD1 TYR A 14 6.907 -5.013 1.131 1.00 0.00 C ATOM 188 CD2 TYR A 14 8.475 -3.266 0.473 1.00 0.00 C ATOM 189 CE1 TYR A 14 7.915 -5.984 0.966 1.00 0.00 C ATOM 190 CE2 TYR A 14 9.486 -4.230 0.301 1.00 0.00 C ATOM 191 CZ TYR A 14 9.207 -5.594 0.549 1.00 0.00 C ATOM 192 OH TYR A 14 10.177 -6.535 0.389 1.00 0.00 O ATOM 0 H TYR A 14 6.523 -2.437 -1.326 1.00 0.00 H new ATOM 0 HA TYR A 14 4.427 -3.653 0.139 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.545 -1.619 0.989 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.674 -2.701 2.057 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.918 -5.312 1.446 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.689 -2.224 0.287 1.00 0.00 H new ATOM 0 HE1 TYR A 14 7.700 -7.025 1.158 1.00 0.00 H new ATOM 0 HE2 TYR A 14 10.472 -3.929 -0.020 1.00 0.00 H new ATOM 0 HH TYR A 14 11.055 -6.100 0.367 1.00 0.00 H new ATOM 202 N GLN A 15 4.112 -0.424 -0.326 1.00 0.00 N ATOM 203 CA GLN A 15 3.153 0.688 -0.295 1.00 0.00 C ATOM 204 C GLN A 15 1.968 0.437 -1.236 1.00 0.00 C ATOM 205 O GLN A 15 0.847 0.784 -0.868 1.00 0.00 O ATOM 206 CB GLN A 15 3.863 2.006 -0.637 1.00 0.00 C ATOM 207 CG GLN A 15 4.748 2.498 0.523 1.00 0.00 C ATOM 208 CD GLN A 15 5.679 3.644 0.122 1.00 0.00 C ATOM 209 OE1 GLN A 15 6.082 3.792 -1.024 1.00 0.00 O ATOM 210 NE2 GLN A 15 6.066 4.502 1.042 1.00 0.00 N ATOM 0 H GLN A 15 4.957 -0.212 -0.856 1.00 0.00 H new ATOM 0 HA GLN A 15 2.749 0.762 0.715 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.476 1.868 -1.528 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.120 2.767 -0.876 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.111 2.826 1.345 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.345 1.666 0.895 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.743 4.399 2.004 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.689 5.270 0.793 1.00 0.00 H new ATOM 219 N LEU A 16 2.161 -0.222 -2.390 1.00 0.00 N ATOM 220 CA LEU A 16 1.049 -0.723 -3.212 1.00 0.00 C ATOM 221 C LEU A 16 0.217 -1.774 -2.455 1.00 0.00 C ATOM 222 O LEU A 16 -1.013 -1.735 -2.503 1.00 0.00 O ATOM 223 CB LEU A 16 1.577 -1.315 -4.532 1.00 0.00 C ATOM 224 CG LEU A 16 2.278 -0.340 -5.493 1.00 0.00 C ATOM 225 CD1 LEU A 16 2.705 -1.109 -6.749 1.00 0.00 C ATOM 226 CD2 LEU A 16 1.385 0.832 -5.906 1.00 0.00 C ATOM 0 H LEU A 16 3.084 -0.421 -2.776 1.00 0.00 H new ATOM 0 HA LEU A 16 0.399 0.123 -3.437 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.275 -2.116 -4.291 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.739 -1.771 -5.060 1.00 0.00 H new ATOM 0 HG LEU A 16 3.138 0.077 -4.969 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.204 -0.429 -7.440 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.390 -1.910 -6.470 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.825 -1.535 -7.231 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.933 1.486 -6.584 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.495 0.452 -6.408 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.089 1.394 -5.020 1.00 0.00 H new ATOM 238 N GLU A 17 0.869 -2.678 -1.717 1.00 0.00 N ATOM 239 CA GLU A 17 0.202 -3.740 -0.955 1.00 0.00 C ATOM 240 C GLU A 17 -0.719 -3.194 0.155 1.00 0.00 C ATOM 241 O GLU A 17 -1.723 -3.827 0.486 1.00 0.00 O ATOM 242 CB GLU A 17 1.248 -4.718 -0.395 1.00 0.00 C ATOM 243 CG GLU A 17 0.593 -5.954 0.235 1.00 0.00 C ATOM 244 CD GLU A 17 1.581 -7.092 0.512 1.00 0.00 C ATOM 245 OE1 GLU A 17 2.662 -6.851 1.097 1.00 0.00 O ATOM 246 OE2 GLU A 17 1.240 -8.255 0.181 1.00 0.00 O ATOM 0 H GLU A 17 1.885 -2.694 -1.631 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.452 -4.277 -1.642 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.919 -5.030 -1.195 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.858 -4.210 0.352 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.112 -5.665 1.170 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.192 -6.318 -0.428 1.00 0.00 H new ATOM 253 N ASN A 18 -0.436 -2.001 0.691 1.00 0.00 N ATOM 254 CA ASN A 18 -1.294 -1.337 1.678 1.00 0.00 C ATOM 255 C ASN A 18 -2.726 -1.054 1.160 1.00 0.00 C ATOM 256 O ASN A 18 -3.653 -0.907 1.961 1.00 0.00 O ATOM 257 CB ASN A 18 -0.603 -0.041 2.128 1.00 0.00 C ATOM 258 CG ASN A 18 -1.294 0.610 3.320 1.00 0.00 C ATOM 259 OD1 ASN A 18 -1.939 1.646 3.204 1.00 0.00 O ATOM 260 ND2 ASN A 18 -1.186 0.025 4.501 1.00 0.00 N ATOM 0 H ASN A 18 0.399 -1.467 0.451 1.00 0.00 H new ATOM 0 HA ASN A 18 -1.424 -2.015 2.522 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.433 -0.258 2.388 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.583 0.663 1.296 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.640 0.436 5.317 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -0.649 -0.837 4.596 1.00 0.00 H new ATOM 267 N TYR A 19 -2.919 -1.000 -0.165 1.00 0.00 N ATOM 268 CA TYR A 19 -4.207 -0.780 -0.827 1.00 0.00 C ATOM 269 C TYR A 19 -4.907 -2.073 -1.299 1.00 0.00 C ATOM 270 O TYR A 19 -6.019 -2.005 -1.826 1.00 0.00 O ATOM 271 CB TYR A 19 -3.978 0.220 -1.967 1.00 0.00 C ATOM 272 CG TYR A 19 -3.565 1.594 -1.462 1.00 0.00 C ATOM 273 CD1 TYR A 19 -4.526 2.448 -0.883 1.00 0.00 C ATOM 274 CD2 TYR A 19 -2.215 1.994 -1.498 1.00 0.00 C ATOM 275 CE1 TYR A 19 -4.143 3.686 -0.334 1.00 0.00 C ATOM 276 CE2 TYR A 19 -1.822 3.231 -0.948 1.00 0.00 C ATOM 277 CZ TYR A 19 -2.787 4.082 -0.364 1.00 0.00 C ATOM 278 OH TYR A 19 -2.412 5.276 0.178 1.00 0.00 O ATOM 0 H TYR A 19 -2.152 -1.113 -0.828 1.00 0.00 H new ATOM 0 HA TYR A 19 -4.908 -0.371 -0.099 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -3.207 -0.165 -2.634 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -4.892 0.312 -2.555 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.564 2.150 -0.861 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.476 1.349 -1.950 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.885 4.333 0.110 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.784 3.528 -0.973 1.00 0.00 H new ATOM 0 HH TYR A 19 -1.493 5.209 0.513 1.00 0.00 H new ATOM 288 N CYS A 20 -4.311 -3.255 -1.092 1.00 0.00 N ATOM 289 CA CYS A 20 -5.005 -4.543 -1.257 1.00 0.00 C ATOM 290 C CYS A 20 -6.114 -4.723 -0.200 1.00 0.00 C ATOM 291 O CYS A 20 -5.999 -4.234 0.929 1.00 0.00 O ATOM 292 CB CYS A 20 -4.023 -5.722 -1.174 1.00 0.00 C ATOM 293 SG CYS A 20 -2.585 -5.678 -2.275 1.00 0.00 S ATOM 0 H CYS A 20 -3.336 -3.347 -0.806 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.460 -4.532 -2.247 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -3.661 -5.789 -0.148 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -4.577 -6.638 -1.378 1.00 0.00 H new ATOM 298 N ASN A 21 -7.179 -5.456 -0.549 1.00 0.00 N ATOM 299 CA ASN A 21 -8.266 -5.850 0.363 1.00 0.00 C ATOM 300 C ASN A 21 -7.890 -7.060 1.249 1.00 0.00 C ATOM 301 O ASN A 21 -7.228 -7.998 0.753 1.00 0.00 O ATOM 302 CB ASN A 21 -9.550 -6.123 -0.455 1.00 0.00 C ATOM 303 CG ASN A 21 -10.139 -4.887 -1.116 1.00 0.00 C ATOM 304 OD1 ASN A 21 -10.209 -4.767 -2.330 1.00 0.00 O ATOM 305 ND2 ASN A 21 -10.590 -3.926 -0.342 1.00 0.00 N ATOM 306 OXT ASN A 21 -8.278 -7.061 2.441 1.00 0.00 O ATOM 0 H ASN A 21 -7.314 -5.802 -1.499 1.00 0.00 H new ATOM 0 HA ASN A 21 -8.447 -5.024 1.050 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -9.327 -6.862 -1.224 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -10.300 -6.563 0.202 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -10.995 -3.086 -0.755 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -10.535 -4.020 0.672 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 14.106 -0.260 -1.404 1.00 0.00 N ATOM 315 CA PHE B 1 14.239 -1.297 -2.457 1.00 0.00 C ATOM 316 C PHE B 1 12.855 -1.726 -2.973 1.00 0.00 C ATOM 317 O PHE B 1 11.853 -1.487 -2.299 1.00 0.00 O ATOM 318 CB PHE B 1 15.117 -2.487 -2.007 1.00 0.00 C ATOM 319 CG PHE B 1 14.507 -3.427 -0.976 1.00 0.00 C ATOM 320 CD1 PHE B 1 14.516 -3.098 0.394 1.00 0.00 C ATOM 321 CD2 PHE B 1 13.962 -4.662 -1.384 1.00 0.00 C ATOM 322 CE1 PHE B 1 13.961 -3.981 1.339 1.00 0.00 C ATOM 323 CE2 PHE B 1 13.421 -5.550 -0.440 1.00 0.00 C ATOM 324 CZ PHE B 1 13.412 -5.207 0.923 1.00 0.00 C ATOM 0 H1 PHE B 1 15.047 -0.020 -1.032 1.00 0.00 H new ATOM 0 H2 PHE B 1 13.666 0.591 -1.809 1.00 0.00 H new ATOM 0 H3 PHE B 1 13.511 -0.623 -0.632 1.00 0.00 H new ATOM 0 HA PHE B 1 14.772 -0.854 -3.298 1.00 0.00 H new ATOM 0 HB2 PHE B 1 15.379 -3.071 -2.889 1.00 0.00 H new ATOM 0 HB3 PHE B 1 16.047 -2.091 -1.600 1.00 0.00 H new ATOM 0 HD1 PHE B 1 14.950 -2.165 0.720 1.00 0.00 H new ATOM 0 HD2 PHE B 1 13.961 -4.927 -2.431 1.00 0.00 H new ATOM 0 HE1 PHE B 1 13.957 -3.716 2.386 1.00 0.00 H new ATOM 0 HE2 PHE B 1 13.012 -6.496 -0.761 1.00 0.00 H new ATOM 0 HZ PHE B 1 12.985 -5.883 1.649 1.00 0.00 H new ATOM 336 N VAL B 2 12.784 -2.326 -4.174 1.00 0.00 N ATOM 337 CA VAL B 2 11.544 -2.621 -4.931 1.00 0.00 C ATOM 338 C VAL B 2 10.564 -1.434 -4.967 1.00 0.00 C ATOM 339 O VAL B 2 9.476 -1.459 -4.396 1.00 0.00 O ATOM 340 CB VAL B 2 10.883 -3.975 -4.575 1.00 0.00 C ATOM 341 CG1 VAL B 2 11.790 -5.141 -5.001 1.00 0.00 C ATOM 342 CG2 VAL B 2 10.462 -4.181 -3.106 1.00 0.00 C ATOM 0 H VAL B 2 13.621 -2.633 -4.669 1.00 0.00 H new ATOM 0 HA VAL B 2 11.870 -2.758 -5.962 1.00 0.00 H new ATOM 0 HB VAL B 2 9.948 -3.953 -5.135 1.00 0.00 H new ATOM 0 HG11 VAL B 2 11.312 -6.086 -4.744 1.00 0.00 H new ATOM 0 HG12 VAL B 2 11.956 -5.099 -6.078 1.00 0.00 H new ATOM 0 HG13 VAL B 2 12.746 -5.066 -4.484 1.00 0.00 H new ATOM 0 HG21 VAL B 2 10.013 -5.168 -2.991 1.00 0.00 H new ATOM 0 HG22 VAL B 2 11.338 -4.104 -2.462 1.00 0.00 H new ATOM 0 HG23 VAL B 2 9.737 -3.417 -2.825 1.00 0.00 H new ATOM 352 N ASN B 3 10.991 -0.370 -5.655 1.00 0.00 N ATOM 353 CA ASN B 3 10.307 0.925 -5.706 1.00 0.00 C ATOM 354 C ASN B 3 10.506 1.658 -7.047 1.00 0.00 C ATOM 355 O ASN B 3 11.580 1.580 -7.648 1.00 0.00 O ATOM 356 CB ASN B 3 10.725 1.774 -4.488 1.00 0.00 C ATOM 357 CG ASN B 3 12.233 1.996 -4.358 1.00 0.00 C ATOM 358 OD1 ASN B 3 12.904 1.349 -3.563 1.00 0.00 O ATOM 359 ND2 ASN B 3 12.818 2.908 -5.112 1.00 0.00 N ATOM 0 H ASN B 3 11.848 -0.387 -6.208 1.00 0.00 H new ATOM 0 HA ASN B 3 9.233 0.749 -5.649 1.00 0.00 H new ATOM 0 HB2 ASN B 3 10.232 2.744 -4.550 1.00 0.00 H new ATOM 0 HB3 ASN B 3 10.362 1.290 -3.581 1.00 0.00 H new ATOM 0 HD21 ASN B 3 13.822 3.070 -5.030 1.00 0.00 H new ATOM 0 HD22 ASN B 3 12.266 3.451 -5.776 1.00 0.00 H new ATOM 366 N GLN B 4 9.467 2.346 -7.536 1.00 0.00 N ATOM 367 CA GLN B 4 9.385 2.914 -8.892 1.00 0.00 C ATOM 368 C GLN B 4 8.465 4.149 -8.947 1.00 0.00 C ATOM 369 O GLN B 4 7.689 4.404 -8.026 1.00 0.00 O ATOM 370 CB GLN B 4 8.834 1.832 -9.856 1.00 0.00 C ATOM 371 CG GLN B 4 9.781 0.676 -10.227 1.00 0.00 C ATOM 372 CD GLN B 4 10.972 1.131 -11.075 1.00 0.00 C ATOM 373 OE1 GLN B 4 10.919 1.183 -12.299 1.00 0.00 O ATOM 374 NE2 GLN B 4 12.083 1.503 -10.475 1.00 0.00 N ATOM 0 H GLN B 4 8.631 2.530 -6.982 1.00 0.00 H new ATOM 0 HA GLN B 4 10.386 3.229 -9.186 1.00 0.00 H new ATOM 0 HB2 GLN B 4 7.937 1.404 -9.408 1.00 0.00 H new ATOM 0 HB3 GLN B 4 8.525 2.325 -10.778 1.00 0.00 H new ATOM 0 HG2 GLN B 4 10.149 0.207 -9.314 1.00 0.00 H new ATOM 0 HG3 GLN B 4 9.222 -0.084 -10.773 1.00 0.00 H new ATOM 0 HE21 GLN B 4 12.150 1.468 -9.458 1.00 0.00 H new ATOM 0 HE22 GLN B 4 12.877 1.826 -11.027 1.00 0.00 H new ATOM 383 N HIS B 5 8.508 4.890 -10.059 1.00 0.00 N ATOM 384 CA HIS B 5 7.400 5.748 -10.499 1.00 0.00 C ATOM 385 C HIS B 5 6.374 4.891 -11.269 1.00 0.00 C ATOM 386 O HIS B 5 6.763 4.063 -12.102 1.00 0.00 O ATOM 387 CB HIS B 5 7.916 6.847 -11.439 1.00 0.00 C ATOM 388 CG HIS B 5 8.943 7.786 -10.858 1.00 0.00 C ATOM 389 ND1 HIS B 5 8.715 8.743 -9.901 1.00 0.00 N ATOM 390 CD2 HIS B 5 10.246 7.916 -11.257 1.00 0.00 C ATOM 391 CE1 HIS B 5 9.850 9.440 -9.727 1.00 0.00 C ATOM 392 NE2 HIS B 5 10.821 8.968 -10.533 1.00 0.00 N ATOM 0 H HIS B 5 9.315 4.912 -10.683 1.00 0.00 H new ATOM 0 HA HIS B 5 6.941 6.206 -9.623 1.00 0.00 H new ATOM 0 HB2 HIS B 5 8.346 6.371 -12.321 1.00 0.00 H new ATOM 0 HB3 HIS B 5 7.064 7.437 -11.778 1.00 0.00 H new ATOM 0 HD1 HIS B 5 7.836 8.898 -9.407 1.00 0.00 H new ATOM 0 HD2 HIS B 5 10.744 7.312 -12.001 1.00 0.00 H new ATOM 0 HE1 HIS B 5 9.968 10.263 -9.038 1.00 0.00 H new ATOM 400 N LEU B 6 5.075 5.101 -11.044 1.00 0.00 N ATOM 401 CA LEU B 6 3.987 4.307 -11.616 1.00 0.00 C ATOM 402 C LEU B 6 2.738 5.184 -11.738 1.00 0.00 C ATOM 403 O LEU B 6 2.370 5.878 -10.792 1.00 0.00 O ATOM 404 CB LEU B 6 3.676 3.102 -10.703 1.00 0.00 C ATOM 405 CG LEU B 6 4.707 1.955 -10.669 1.00 0.00 C ATOM 406 CD1 LEU B 6 4.326 0.988 -9.543 1.00 0.00 C ATOM 407 CD2 LEU B 6 4.758 1.191 -12.001 1.00 0.00 C ATOM 0 H LEU B 6 4.742 5.852 -10.440 1.00 0.00 H new ATOM 0 HA LEU B 6 4.285 3.943 -12.599 1.00 0.00 H new ATOM 0 HB2 LEU B 6 3.551 3.473 -9.686 1.00 0.00 H new ATOM 0 HB3 LEU B 6 2.717 2.685 -11.010 1.00 0.00 H new ATOM 0 HG LEU B 6 5.694 2.385 -10.497 1.00 0.00 H new ATOM 0 HD11 LEU B 6 5.046 0.171 -9.506 1.00 0.00 H new ATOM 0 HD12 LEU B 6 4.330 1.519 -8.591 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.330 0.586 -9.730 1.00 0.00 H new ATOM 0 HD21 LEU B 6 5.496 0.392 -11.934 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.778 0.763 -12.213 1.00 0.00 H new ATOM 0 HD23 LEU B 6 5.036 1.875 -12.803 1.00 0.00 H new ATOM 419 N CYS B 7 2.063 5.136 -12.887 1.00 0.00 N ATOM 420 CA CYS B 7 0.880 5.962 -13.143 1.00 0.00 C ATOM 421 C CYS B 7 -0.094 5.313 -14.125 1.00 0.00 C ATOM 422 O CYS B 7 0.301 4.523 -14.988 1.00 0.00 O ATOM 423 CB CYS B 7 1.326 7.347 -13.627 1.00 0.00 C ATOM 424 SG CYS B 7 0.170 8.676 -13.218 1.00 0.00 S ATOM 0 H CYS B 7 2.318 4.527 -13.664 1.00 0.00 H new ATOM 0 HA CYS B 7 0.330 6.064 -12.207 1.00 0.00 H new ATOM 0 HB2 CYS B 7 2.298 7.578 -13.191 1.00 0.00 H new ATOM 0 HB3 CYS B 7 1.461 7.317 -14.708 1.00 0.00 H new ATOM 429 N GLY B 8 -1.372 5.654 -13.985 1.00 0.00 N ATOM 430 CA GLY B 8 -2.457 5.225 -14.874 1.00 0.00 C ATOM 431 C GLY B 8 -2.648 3.708 -14.914 1.00 0.00 C ATOM 432 O GLY B 8 -2.716 3.038 -13.882 1.00 0.00 O ATOM 0 H GLY B 8 -1.695 6.255 -13.227 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -3.387 5.692 -14.551 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -2.253 5.585 -15.883 1.00 0.00 H new ATOM 436 N SER B 9 -2.722 3.148 -16.118 1.00 0.00 N ATOM 437 CA SER B 9 -2.893 1.706 -16.345 1.00 0.00 C ATOM 438 C SER B 9 -1.731 0.888 -15.769 1.00 0.00 C ATOM 439 O SER B 9 -1.946 -0.194 -15.229 1.00 0.00 O ATOM 440 CB SER B 9 -3.049 1.446 -17.851 1.00 0.00 C ATOM 441 OG SER B 9 -2.018 2.086 -18.601 1.00 0.00 O ATOM 0 H SER B 9 -2.664 3.688 -16.982 1.00 0.00 H new ATOM 0 HA SER B 9 -3.792 1.382 -15.821 1.00 0.00 H new ATOM 0 HB2 SER B 9 -3.026 0.373 -18.040 1.00 0.00 H new ATOM 0 HB3 SER B 9 -4.022 1.808 -18.185 1.00 0.00 H new ATOM 0 HG SER B 9 -2.144 1.900 -19.555 1.00 0.00 H new ATOM 447 N HIS B 10 -0.511 1.430 -15.788 1.00 0.00 N ATOM 448 CA HIS B 10 0.683 0.806 -15.210 1.00 0.00 C ATOM 449 C HIS B 10 0.562 0.661 -13.679 1.00 0.00 C ATOM 450 O HIS B 10 0.913 -0.378 -13.119 1.00 0.00 O ATOM 451 CB HIS B 10 1.913 1.651 -15.585 1.00 0.00 C ATOM 452 CG HIS B 10 1.917 2.180 -17.001 1.00 0.00 C ATOM 453 ND1 HIS B 10 1.631 3.470 -17.381 1.00 0.00 N ATOM 454 CD2 HIS B 10 2.149 1.465 -18.146 1.00 0.00 C ATOM 455 CE1 HIS B 10 1.696 3.535 -18.721 1.00 0.00 C ATOM 456 NE2 HIS B 10 2.019 2.335 -19.240 1.00 0.00 N ATOM 0 H HIS B 10 -0.321 2.336 -16.216 1.00 0.00 H new ATOM 0 HA HIS B 10 0.790 -0.200 -15.615 1.00 0.00 H new ATOM 0 HB2 HIS B 10 1.979 2.495 -14.898 1.00 0.00 H new ATOM 0 HB3 HIS B 10 2.809 1.048 -15.436 1.00 0.00 H new ATOM 0 HD1 HIS B 10 1.408 4.243 -16.754 1.00 0.00 H new ATOM 0 HD2 HIS B 10 2.390 0.414 -18.198 1.00 0.00 H new ATOM 0 HE1 HIS B 10 1.514 4.427 -19.302 1.00 0.00 H new ATOM 464 N LEU B 11 0.021 1.686 -13.001 1.00 0.00 N ATOM 465 CA LEU B 11 -0.241 1.671 -11.557 1.00 0.00 C ATOM 466 C LEU B 11 -1.360 0.685 -11.200 1.00 0.00 C ATOM 467 O LEU B 11 -1.217 -0.084 -10.251 1.00 0.00 O ATOM 468 CB LEU B 11 -0.562 3.114 -11.118 1.00 0.00 C ATOM 469 CG LEU B 11 -0.834 3.319 -9.613 1.00 0.00 C ATOM 470 CD1 LEU B 11 0.382 2.953 -8.753 1.00 0.00 C ATOM 471 CD2 LEU B 11 -1.216 4.789 -9.380 1.00 0.00 C ATOM 0 H LEU B 11 -0.250 2.561 -13.450 1.00 0.00 H new ATOM 0 HA LEU B 11 0.638 1.320 -11.017 1.00 0.00 H new ATOM 0 HB2 LEU B 11 0.272 3.754 -11.407 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -1.435 3.456 -11.674 1.00 0.00 H new ATOM 0 HG LEU B 11 -1.648 2.658 -9.316 1.00 0.00 H new ATOM 0 HD11 LEU B 11 0.145 3.113 -7.701 1.00 0.00 H new ATOM 0 HD12 LEU B 11 0.638 1.906 -8.912 1.00 0.00 H new ATOM 0 HD13 LEU B 11 1.228 3.580 -9.034 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -1.412 4.950 -8.320 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -0.397 5.433 -9.700 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -2.111 5.028 -9.955 1.00 0.00 H new ATOM 483 N VAL B 12 -2.445 0.675 -11.977 1.00 0.00 N ATOM 484 CA VAL B 12 -3.563 -0.276 -11.802 1.00 0.00 C ATOM 485 C VAL B 12 -3.123 -1.731 -12.053 1.00 0.00 C ATOM 486 O VAL B 12 -3.540 -2.633 -11.325 1.00 0.00 O ATOM 487 CB VAL B 12 -4.765 0.124 -12.693 1.00 0.00 C ATOM 488 CG1 VAL B 12 -5.898 -0.913 -12.708 1.00 0.00 C ATOM 489 CG2 VAL B 12 -5.366 1.457 -12.210 1.00 0.00 C ATOM 0 H VAL B 12 -2.581 1.326 -12.751 1.00 0.00 H new ATOM 0 HA VAL B 12 -3.886 -0.224 -10.762 1.00 0.00 H new ATOM 0 HB VAL B 12 -4.361 0.202 -13.702 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -6.704 -0.562 -13.353 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -5.518 -1.862 -13.086 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -6.278 -1.051 -11.696 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -6.210 1.727 -12.845 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -5.706 1.351 -11.180 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -4.608 2.238 -12.263 1.00 0.00 H new ATOM 499 N GLU B 13 -2.245 -1.966 -13.034 1.00 0.00 N ATOM 500 CA GLU B 13 -1.638 -3.274 -13.301 1.00 0.00 C ATOM 501 C GLU B 13 -0.699 -3.702 -12.167 1.00 0.00 C ATOM 502 O GLU B 13 -0.776 -4.840 -11.703 1.00 0.00 O ATOM 503 CB GLU B 13 -0.883 -3.221 -14.640 1.00 0.00 C ATOM 504 CG GLU B 13 -0.349 -4.591 -15.079 1.00 0.00 C ATOM 505 CD GLU B 13 0.281 -4.517 -16.479 1.00 0.00 C ATOM 506 OE1 GLU B 13 1.477 -4.156 -16.593 1.00 0.00 O ATOM 507 OE2 GLU B 13 -0.412 -4.831 -17.475 1.00 0.00 O ATOM 0 H GLU B 13 -1.931 -1.239 -13.676 1.00 0.00 H new ATOM 0 HA GLU B 13 -2.431 -4.019 -13.360 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -1.548 -2.832 -15.411 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -0.051 -2.523 -14.555 1.00 0.00 H new ATOM 0 HG2 GLU B 13 0.392 -4.943 -14.361 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -1.161 -5.318 -15.080 1.00 0.00 H new ATOM 514 N ALA B 14 0.162 -2.801 -11.684 1.00 0.00 N ATOM 515 CA ALA B 14 1.062 -3.074 -10.560 1.00 0.00 C ATOM 516 C ALA B 14 0.285 -3.454 -9.287 1.00 0.00 C ATOM 517 O ALA B 14 0.615 -4.455 -8.650 1.00 0.00 O ATOM 518 CB ALA B 14 1.971 -1.859 -10.343 1.00 0.00 C ATOM 0 H ALA B 14 0.254 -1.859 -12.063 1.00 0.00 H new ATOM 0 HA ALA B 14 1.683 -3.938 -10.798 1.00 0.00 H new ATOM 0 HB1 ALA B 14 2.644 -2.053 -9.508 1.00 0.00 H new ATOM 0 HB2 ALA B 14 2.555 -1.676 -11.245 1.00 0.00 H new ATOM 0 HB3 ALA B 14 1.361 -0.983 -10.121 1.00 0.00 H new ATOM 524 N LEU B 15 -0.784 -2.716 -8.953 1.00 0.00 N ATOM 525 CA LEU B 15 -1.725 -3.061 -7.879 1.00 0.00 C ATOM 526 C LEU B 15 -2.279 -4.479 -8.051 1.00 0.00 C ATOM 527 O LEU B 15 -2.112 -5.308 -7.160 1.00 0.00 O ATOM 528 CB LEU B 15 -2.861 -2.021 -7.841 1.00 0.00 C ATOM 529 CG LEU B 15 -2.481 -0.705 -7.137 1.00 0.00 C ATOM 530 CD1 LEU B 15 -3.493 0.390 -7.498 1.00 0.00 C ATOM 531 CD2 LEU B 15 -2.454 -0.905 -5.611 1.00 0.00 C ATOM 0 H LEU B 15 -1.022 -1.847 -9.431 1.00 0.00 H new ATOM 0 HA LEU B 15 -1.193 -3.043 -6.928 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -3.171 -1.799 -8.862 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -3.722 -2.457 -7.334 1.00 0.00 H new ATOM 0 HG LEU B 15 -1.488 -0.403 -7.471 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -3.219 1.318 -6.997 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -3.491 0.546 -8.577 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -4.489 0.085 -7.177 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -2.184 0.033 -5.126 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -3.439 -1.221 -5.268 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -1.720 -1.669 -5.357 1.00 0.00 H new ATOM 543 N TYR B 16 -2.865 -4.798 -9.209 1.00 0.00 N ATOM 544 CA TYR B 16 -3.388 -6.136 -9.503 1.00 0.00 C ATOM 545 C TYR B 16 -2.330 -7.244 -9.320 1.00 0.00 C ATOM 546 O TYR B 16 -2.623 -8.286 -8.734 1.00 0.00 O ATOM 547 CB TYR B 16 -3.958 -6.144 -10.934 1.00 0.00 C ATOM 548 CG TYR B 16 -4.459 -7.504 -11.377 1.00 0.00 C ATOM 549 CD1 TYR B 16 -5.683 -7.998 -10.887 1.00 0.00 C ATOM 550 CD2 TYR B 16 -3.684 -8.296 -12.249 1.00 0.00 C ATOM 551 CE1 TYR B 16 -6.139 -9.271 -11.271 1.00 0.00 C ATOM 552 CE2 TYR B 16 -4.136 -9.572 -12.636 1.00 0.00 C ATOM 553 CZ TYR B 16 -5.367 -10.066 -12.150 1.00 0.00 C ATOM 554 OH TYR B 16 -5.802 -11.301 -12.525 1.00 0.00 O ATOM 0 H TYR B 16 -2.991 -4.133 -9.972 1.00 0.00 H new ATOM 0 HA TYR B 16 -4.178 -6.358 -8.786 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -4.776 -5.427 -10.995 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -3.186 -5.807 -11.626 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -6.274 -7.396 -10.213 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -2.741 -7.923 -12.621 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -7.080 -9.643 -10.894 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -3.540 -10.174 -13.306 1.00 0.00 H new ATOM 0 HH TYR B 16 -5.149 -11.707 -13.132 1.00 0.00 H new ATOM 564 N LEU B 17 -1.094 -7.012 -9.776 1.00 0.00 N ATOM 565 CA LEU B 17 0.010 -7.978 -9.695 1.00 0.00 C ATOM 566 C LEU B 17 0.592 -8.117 -8.281 1.00 0.00 C ATOM 567 O LEU B 17 0.942 -9.228 -7.884 1.00 0.00 O ATOM 568 CB LEU B 17 1.108 -7.606 -10.711 1.00 0.00 C ATOM 569 CG LEU B 17 0.714 -7.789 -12.193 1.00 0.00 C ATOM 570 CD1 LEU B 17 1.836 -7.240 -13.082 1.00 0.00 C ATOM 571 CD2 LEU B 17 0.451 -9.259 -12.553 1.00 0.00 C ATOM 0 H LEU B 17 -0.827 -6.133 -10.219 1.00 0.00 H new ATOM 0 HA LEU B 17 -0.401 -8.956 -9.945 1.00 0.00 H new ATOM 0 HB2 LEU B 17 1.392 -6.566 -10.552 1.00 0.00 H new ATOM 0 HB3 LEU B 17 1.991 -8.212 -10.508 1.00 0.00 H new ATOM 0 HG LEU B 17 -0.214 -7.242 -12.358 1.00 0.00 H new ATOM 0 HD11 LEU B 17 1.564 -7.366 -14.130 1.00 0.00 H new ATOM 0 HD12 LEU B 17 1.983 -6.181 -12.870 1.00 0.00 H new ATOM 0 HD13 LEU B 17 2.759 -7.782 -12.879 1.00 0.00 H new ATOM 0 HD21 LEU B 17 0.178 -9.333 -13.606 1.00 0.00 H new ATOM 0 HD22 LEU B 17 1.352 -9.845 -12.370 1.00 0.00 H new ATOM 0 HD23 LEU B 17 -0.363 -9.644 -11.939 1.00 0.00 H new ATOM 583 N VAL B 18 0.650 -7.029 -7.507 1.00 0.00 N ATOM 584 CA VAL B 18 1.058 -7.045 -6.089 1.00 0.00 C ATOM 585 C VAL B 18 0.015 -7.770 -5.235 1.00 0.00 C ATOM 586 O VAL B 18 0.367 -8.589 -4.388 1.00 0.00 O ATOM 587 CB VAL B 18 1.305 -5.612 -5.553 1.00 0.00 C ATOM 588 CG1 VAL B 18 1.379 -5.525 -4.019 1.00 0.00 C ATOM 589 CG2 VAL B 18 2.635 -5.077 -6.108 1.00 0.00 C ATOM 0 H VAL B 18 0.413 -6.097 -7.847 1.00 0.00 H new ATOM 0 HA VAL B 18 2.000 -7.590 -6.022 1.00 0.00 H new ATOM 0 HB VAL B 18 0.450 -5.022 -5.882 1.00 0.00 H new ATOM 0 HG11 VAL B 18 1.554 -4.491 -3.721 1.00 0.00 H new ATOM 0 HG12 VAL B 18 0.440 -5.873 -3.589 1.00 0.00 H new ATOM 0 HG13 VAL B 18 2.196 -6.150 -3.658 1.00 0.00 H new ATOM 0 HG21 VAL B 18 2.808 -4.069 -5.730 1.00 0.00 H new ATOM 0 HG22 VAL B 18 3.450 -5.728 -5.791 1.00 0.00 H new ATOM 0 HG23 VAL B 18 2.592 -5.054 -7.197 1.00 0.00 H new ATOM 599 N CYS B 19 -1.273 -7.496 -5.465 1.00 0.00 N ATOM 600 CA CYS B 19 -2.358 -8.067 -4.663 1.00 0.00 C ATOM 601 C CYS B 19 -2.667 -9.530 -5.033 1.00 0.00 C ATOM 602 O CYS B 19 -3.001 -10.323 -4.149 1.00 0.00 O ATOM 603 CB CYS B 19 -3.589 -7.159 -4.760 1.00 0.00 C ATOM 604 SG CYS B 19 -3.301 -5.466 -4.167 1.00 0.00 S ATOM 0 H CYS B 19 -1.591 -6.875 -6.209 1.00 0.00 H new ATOM 0 HA CYS B 19 -2.036 -8.107 -3.622 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -3.918 -7.119 -5.798 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -4.402 -7.602 -4.185 1.00 0.00 H new ATOM 609 N GLY B 20 -2.493 -9.912 -6.304 1.00 0.00 N ATOM 610 CA GLY B 20 -2.643 -11.291 -6.782 1.00 0.00 C ATOM 611 C GLY B 20 -4.100 -11.741 -6.738 1.00 0.00 C ATOM 612 O GLY B 20 -4.961 -11.145 -7.386 1.00 0.00 O ATOM 0 H GLY B 20 -2.239 -9.257 -7.044 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -2.268 -11.366 -7.803 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -2.036 -11.958 -6.169 1.00 0.00 H new ATOM 616 N GLU B 21 -4.376 -12.794 -5.971 1.00 0.00 N ATOM 617 CA GLU B 21 -5.729 -13.305 -5.700 1.00 0.00 C ATOM 618 C GLU B 21 -6.602 -12.295 -4.920 1.00 0.00 C ATOM 619 O GLU B 21 -7.833 -12.345 -5.013 1.00 0.00 O ATOM 620 CB GLU B 21 -5.655 -14.624 -4.902 1.00 0.00 C ATOM 621 CG GLU B 21 -4.823 -15.737 -5.565 1.00 0.00 C ATOM 622 CD GLU B 21 -3.380 -15.799 -5.033 1.00 0.00 C ATOM 623 OE1 GLU B 21 -2.617 -14.821 -5.218 1.00 0.00 O ATOM 624 OE2 GLU B 21 -3.000 -16.826 -4.424 1.00 0.00 O ATOM 0 H GLU B 21 -3.647 -13.335 -5.505 1.00 0.00 H new ATOM 0 HA GLU B 21 -6.196 -13.474 -6.670 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -5.235 -14.414 -3.918 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -6.668 -14.993 -4.744 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -5.309 -16.698 -5.396 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -4.802 -15.576 -6.643 1.00 0.00 H new ATOM 631 N ARG B 22 -5.984 -11.376 -4.167 1.00 0.00 N ATOM 632 CA ARG B 22 -6.665 -10.300 -3.439 1.00 0.00 C ATOM 633 C ARG B 22 -7.115 -9.184 -4.400 1.00 0.00 C ATOM 634 O ARG B 22 -6.402 -8.849 -5.351 1.00 0.00 O ATOM 635 CB ARG B 22 -5.736 -9.701 -2.368 1.00 0.00 C ATOM 636 CG ARG B 22 -5.218 -10.716 -1.332 1.00 0.00 C ATOM 637 CD ARG B 22 -4.095 -10.121 -0.473 1.00 0.00 C ATOM 638 NE ARG B 22 -2.848 -9.957 -1.250 1.00 0.00 N ATOM 639 CZ ARG B 22 -1.690 -9.493 -0.794 1.00 0.00 C ATOM 640 NH1 ARG B 22 -1.521 -9.073 0.439 1.00 0.00 N ATOM 641 NH2 ARG B 22 -0.634 -9.436 -1.567 1.00 0.00 N ATOM 0 H ARG B 22 -4.971 -11.361 -4.045 1.00 0.00 H new ATOM 0 HA ARG B 22 -7.543 -10.731 -2.958 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -4.882 -9.239 -2.863 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -6.270 -8.907 -1.845 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -6.040 -11.033 -0.690 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -4.853 -11.606 -1.844 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -4.410 -9.154 -0.080 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -3.909 -10.769 0.384 1.00 0.00 H new ATOM 0 HE ARG B 22 -2.880 -10.227 -2.233 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -2.301 -9.094 1.096 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -0.610 -8.726 0.739 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -0.693 -9.751 -2.535 1.00 0.00 H new ATOM 0 HH22 ARG B 22 0.248 -9.077 -1.201 1.00 0.00 H new ATOM 655 N GLY B 23 -8.253 -8.552 -4.100 1.00 0.00 N ATOM 656 CA GLY B 23 -8.673 -7.290 -4.737 1.00 0.00 C ATOM 657 C GLY B 23 -7.891 -6.089 -4.199 1.00 0.00 C ATOM 658 O GLY B 23 -7.051 -6.235 -3.307 1.00 0.00 O ATOM 0 H GLY B 23 -8.915 -8.899 -3.406 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -8.530 -7.363 -5.815 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -9.738 -7.135 -4.567 1.00 0.00 H new ATOM 662 N PHE B 24 -8.171 -4.896 -4.728 1.00 0.00 N ATOM 663 CA PHE B 24 -7.604 -3.630 -4.248 1.00 0.00 C ATOM 664 C PHE B 24 -8.554 -2.439 -4.418 1.00 0.00 C ATOM 665 O PHE B 24 -9.481 -2.464 -5.232 1.00 0.00 O ATOM 666 CB PHE B 24 -6.263 -3.365 -4.951 1.00 0.00 C ATOM 667 CG PHE B 24 -6.341 -3.221 -6.459 1.00 0.00 C ATOM 668 CD1 PHE B 24 -6.258 -4.365 -7.279 1.00 0.00 C ATOM 669 CD2 PHE B 24 -6.508 -1.952 -7.048 1.00 0.00 C ATOM 670 CE1 PHE B 24 -6.349 -4.240 -8.675 1.00 0.00 C ATOM 671 CE2 PHE B 24 -6.588 -1.827 -8.445 1.00 0.00 C ATOM 672 CZ PHE B 24 -6.502 -2.971 -9.260 1.00 0.00 C ATOM 0 H PHE B 24 -8.809 -4.779 -5.515 1.00 0.00 H new ATOM 0 HA PHE B 24 -7.444 -3.734 -3.175 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -5.828 -2.455 -4.537 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -5.580 -4.181 -4.715 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -6.124 -5.339 -6.833 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -6.575 -1.073 -6.424 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -6.301 -5.120 -9.300 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -6.716 -0.853 -8.894 1.00 0.00 H new ATOM 0 HZ PHE B 24 -6.554 -2.874 -10.334 1.00 0.00 H new ATOM 682 N PHE B 25 -8.272 -1.367 -3.666 1.00 0.00 N ATOM 683 CA PHE B 25 -8.926 -0.067 -3.786 1.00 0.00 C ATOM 684 C PHE B 25 -7.928 1.058 -3.474 1.00 0.00 C ATOM 685 O PHE B 25 -7.657 1.381 -2.316 1.00 0.00 O ATOM 686 CB PHE B 25 -10.173 -0.015 -2.882 1.00 0.00 C ATOM 687 CG PHE B 25 -10.947 1.285 -2.999 1.00 0.00 C ATOM 688 CD1 PHE B 25 -11.713 1.546 -4.152 1.00 0.00 C ATOM 689 CD2 PHE B 25 -10.879 2.252 -1.975 1.00 0.00 C ATOM 690 CE1 PHE B 25 -12.412 2.759 -4.276 1.00 0.00 C ATOM 691 CE2 PHE B 25 -11.577 3.466 -2.102 1.00 0.00 C ATOM 692 CZ PHE B 25 -12.339 3.723 -3.256 1.00 0.00 C ATOM 0 H PHE B 25 -7.560 -1.386 -2.936 1.00 0.00 H new ATOM 0 HA PHE B 25 -9.265 0.079 -4.812 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -10.832 -0.846 -3.136 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -9.867 -0.156 -1.845 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -11.763 0.812 -4.943 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -10.289 2.060 -1.091 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -13.007 2.951 -5.157 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -11.528 4.202 -1.313 1.00 0.00 H new ATOM 0 HZ PHE B 25 -12.867 4.660 -3.358 1.00 0.00 H new ATOM 702 N TYR B 26 -7.385 1.665 -4.530 1.00 0.00 N ATOM 703 CA TYR B 26 -6.607 2.907 -4.483 1.00 0.00 C ATOM 704 C TYR B 26 -7.451 4.155 -4.108 1.00 0.00 C ATOM 705 O TYR B 26 -8.686 4.103 -4.071 1.00 0.00 O ATOM 706 CB TYR B 26 -5.811 3.036 -5.795 1.00 0.00 C ATOM 707 CG TYR B 26 -6.527 3.162 -7.143 1.00 0.00 C ATOM 708 CD1 TYR B 26 -7.918 2.979 -7.313 1.00 0.00 C ATOM 709 CD2 TYR B 26 -5.736 3.464 -8.269 1.00 0.00 C ATOM 710 CE1 TYR B 26 -8.507 3.115 -8.586 1.00 0.00 C ATOM 711 CE2 TYR B 26 -6.319 3.620 -9.540 1.00 0.00 C ATOM 712 CZ TYR B 26 -7.710 3.445 -9.701 1.00 0.00 C ATOM 713 OH TYR B 26 -8.284 3.599 -10.929 1.00 0.00 O ATOM 0 H TYR B 26 -7.477 1.294 -5.475 1.00 0.00 H new ATOM 0 HA TYR B 26 -5.894 2.855 -3.661 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -5.167 3.909 -5.693 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -5.159 2.165 -5.860 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -8.534 2.733 -6.461 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -4.668 3.577 -8.155 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -9.570 2.966 -8.707 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -5.703 3.873 -10.390 1.00 0.00 H new ATOM 0 HH TYR B 26 -7.594 3.827 -11.586 1.00 0.00 H new ATOM 723 N THR B 27 -6.781 5.271 -3.785 1.00 0.00 N ATOM 724 CA THR B 27 -7.320 6.408 -3.000 1.00 0.00 C ATOM 725 C THR B 27 -8.581 7.091 -3.551 1.00 0.00 C ATOM 726 O THR B 27 -9.428 7.418 -2.713 1.00 0.00 O ATOM 727 CB THR B 27 -6.221 7.420 -2.680 1.00 0.00 C ATOM 728 OG1 THR B 27 -5.485 7.678 -3.850 1.00 0.00 O ATOM 729 CG2 THR B 27 -5.290 6.865 -1.603 1.00 0.00 C ATOM 0 H THR B 27 -5.813 5.419 -4.070 1.00 0.00 H new ATOM 0 HA THR B 27 -7.676 5.946 -2.079 1.00 0.00 H new ATOM 0 HB THR B 27 -6.673 8.341 -2.312 1.00 0.00 H new ATOM 0 HG1 THR B 27 -4.612 8.053 -3.611 1.00 0.00 H new ATOM 0 HG21 THR B 27 -4.511 7.595 -1.384 1.00 0.00 H new ATOM 0 HG22 THR B 27 -5.862 6.661 -0.698 1.00 0.00 H new ATOM 0 HG23 THR B 27 -4.832 5.942 -1.958 1.00 0.00 H new ATOM 737 N PRO B 28 -8.806 7.264 -4.870 1.00 0.00 N ATOM 738 CA PRO B 28 -7.860 7.334 -5.982 1.00 0.00 C ATOM 739 C PRO B 28 -7.655 8.800 -6.412 1.00 0.00 C ATOM 740 O PRO B 28 -8.032 9.212 -7.509 1.00 0.00 O ATOM 741 CB PRO B 28 -8.549 6.493 -7.056 1.00 0.00 C ATOM 742 CG PRO B 28 -10.025 6.872 -6.899 1.00 0.00 C ATOM 743 CD PRO B 28 -10.159 7.233 -5.415 1.00 0.00 C ATOM 0 HA PRO B 28 -6.859 6.968 -5.753 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -8.176 6.728 -8.053 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -8.387 5.427 -6.898 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -10.292 7.712 -7.540 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -10.681 6.044 -7.169 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -10.648 8.200 -5.294 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -10.771 6.499 -4.891 1.00 0.00 H new ATOM 751 N LYS B 29 -7.076 9.613 -5.523 1.00 0.00 N ATOM 752 CA LYS B 29 -6.900 11.072 -5.716 1.00 0.00 C ATOM 753 C LYS B 29 -5.683 11.677 -4.986 1.00 0.00 C ATOM 754 O LYS B 29 -5.487 12.894 -4.991 1.00 0.00 O ATOM 755 CB LYS B 29 -8.222 11.809 -5.395 1.00 0.00 C ATOM 756 CG LYS B 29 -8.580 12.010 -3.908 1.00 0.00 C ATOM 757 CD LYS B 29 -8.710 10.711 -3.105 1.00 0.00 C ATOM 758 CE LYS B 29 -9.362 10.969 -1.743 1.00 0.00 C ATOM 759 NZ LYS B 29 -9.436 9.728 -0.922 1.00 0.00 N ATOM 0 H LYS B 29 -6.708 9.279 -4.632 1.00 0.00 H new ATOM 0 HA LYS B 29 -6.661 11.222 -6.769 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -8.184 12.790 -5.868 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -9.037 11.260 -5.866 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -7.816 12.634 -3.444 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -9.520 12.557 -3.844 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -9.305 9.991 -3.666 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -7.725 10.268 -2.962 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -8.793 11.727 -1.205 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -10.366 11.368 -1.890 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -10.318 9.728 -0.371 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -9.418 8.897 -1.547 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -8.623 9.691 -0.274 1.00 0.00 H new ATOM 773 N THR B 30 -4.860 10.816 -4.376 1.00 0.00 N ATOM 774 CA THR B 30 -3.648 11.111 -3.588 1.00 0.00 C ATOM 775 C THR B 30 -2.695 9.936 -3.687 1.00 0.00 C ATOM 776 O THR B 30 -3.167 8.786 -3.571 1.00 0.00 O ATOM 777 CB THR B 30 -3.953 11.372 -2.106 1.00 0.00 C ATOM 778 OG1 THR B 30 -4.799 10.359 -1.606 1.00 0.00 O ATOM 779 CG2 THR B 30 -4.626 12.724 -1.851 1.00 0.00 C ATOM 780 OXT THR B 30 -1.497 10.122 -3.967 1.00 0.00 O ATOM 0 H THR B 30 -5.035 9.812 -4.422 1.00 0.00 H new ATOM 0 HA THR B 30 -3.207 12.018 -4.000 1.00 0.00 H new ATOM 0 HB THR B 30 -2.990 11.378 -1.596 1.00 0.00 H new ATOM 0 HG1 THR B 30 -4.989 10.529 -0.660 1.00 0.00 H new ATOM 0 HG21 THR B 30 -4.812 12.842 -0.784 1.00 0.00 H new ATOM 0 HG22 THR B 30 -3.974 13.526 -2.196 1.00 0.00 H new ATOM 0 HG23 THR B 30 -5.572 12.767 -2.391 1.00 0.00 H new TER 788 THR B 30