USER MOD reduce.3.24.130724 H: found=0, std=0, add=396, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 397 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 5 GLN : amide:sc= 1.65 K(o=2.6,f=-0.5) USER MOD Set 1.2: A 19 TYR OH : rot -12:sc= 0.946 USER MOD Set 2.1: A 12 SER OG : rot 171:sc= 0.553 USER MOD Set 2.2: A 14 TYR OH : rot 180:sc= 0 USER MOD Set 2.3: B 103 ASN : amide:sc= 1.48 K(o=2,f=1.3) USER MOD Single : A 1 GLY N :NH3+ -176:sc= 1.19 (180deg=1.17) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.0057 USER MOD Single : A 15 GLN : amide:sc= 0.525 K(o=0.53,f=-5.3!) USER MOD Single : A 18 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 21 ASN : amide:sc=-0.00915 K(o=-0.0091,f=-0.54) USER MOD Single : B 104 GLN : amide:sc= -0.398 K(o=-0.4,f=-1.1) USER MOD Single : B 105 HIS : no HE2:sc= 0.232 K(o=0.23,f=-1.5!) USER MOD Single : B 109 SER OG : rot 180:sc= 0 USER MOD Single : B 110 HIS : no HD1:sc= -0.166 X(o=-0.17,f=-0.14) USER MOD Single : B 116 TYR OH : rot 180:sc= 0 USER MOD Single : B 126 TYR OH : rot 180:sc= 0 USER MOD Single : B 127 THR OG1 : rot 180:sc= 0.0328 USER MOD Single : B 129 LYS NZ :NH3+ 159:sc= 1.08 (180deg=0.756) USER MOD Single : B 130 THR OG1 : rot 180:sc= 0.0175 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.741 24.731 11.580 1.00 0.00 N ATOM 2 CA GLY A 1 14.255 23.975 10.405 1.00 0.00 C ATOM 3 C GLY A 1 15.302 23.010 9.871 1.00 0.00 C ATOM 4 O GLY A 1 16.340 22.799 10.502 1.00 0.00 O ATOM 0 H1 GLY A 1 13.973 25.326 11.952 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.051 24.066 12.317 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.541 25.333 11.299 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.357 23.420 10.678 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.971 24.673 9.618 1.00 0.00 H new ATOM 10 N ILE A 2 15.031 22.401 8.709 1.00 0.00 N ATOM 11 CA ILE A 2 15.896 21.379 8.078 1.00 0.00 C ATOM 12 C ILE A 2 16.949 22.001 7.148 1.00 0.00 C ATOM 13 O ILE A 2 18.122 21.642 7.219 1.00 0.00 O ATOM 14 CB ILE A 2 15.015 20.327 7.352 1.00 0.00 C ATOM 15 CG1 ILE A 2 14.264 19.484 8.409 1.00 0.00 C ATOM 16 CG2 ILE A 2 15.837 19.425 6.404 1.00 0.00 C ATOM 17 CD1 ILE A 2 13.221 18.510 7.838 1.00 0.00 C ATOM 0 H ILE A 2 14.191 22.604 8.167 1.00 0.00 H new ATOM 0 HA ILE A 2 16.461 20.873 8.861 1.00 0.00 H new ATOM 0 HB ILE A 2 14.297 20.854 6.723 1.00 0.00 H new ATOM 0 HG12 ILE A 2 14.994 18.915 8.985 1.00 0.00 H new ATOM 0 HG13 ILE A 2 13.766 20.160 9.105 1.00 0.00 H new ATOM 0 HG21 ILE A 2 15.175 18.706 5.921 1.00 0.00 H new ATOM 0 HG22 ILE A 2 16.321 20.040 5.645 1.00 0.00 H new ATOM 0 HG23 ILE A 2 16.596 18.891 6.976 1.00 0.00 H new ATOM 0 HD11 ILE A 2 12.748 17.964 8.654 1.00 0.00 H new ATOM 0 HD12 ILE A 2 12.464 19.069 7.288 1.00 0.00 H new ATOM 0 HD13 ILE A 2 13.711 17.805 7.166 1.00 0.00 H new ATOM 29 N VAL A 3 16.551 22.943 6.286 1.00 0.00 N ATOM 30 CA VAL A 3 17.407 23.449 5.190 1.00 0.00 C ATOM 31 C VAL A 3 18.701 24.086 5.703 1.00 0.00 C ATOM 32 O VAL A 3 19.769 23.816 5.160 1.00 0.00 O ATOM 33 CB VAL A 3 16.629 24.410 4.267 1.00 0.00 C ATOM 34 CG1 VAL A 3 17.482 24.893 3.084 1.00 0.00 C ATOM 35 CG2 VAL A 3 15.387 23.719 3.679 1.00 0.00 C ATOM 0 H VAL A 3 15.630 23.380 6.322 1.00 0.00 H new ATOM 0 HA VAL A 3 17.702 22.583 4.597 1.00 0.00 H new ATOM 0 HB VAL A 3 16.346 25.260 4.888 1.00 0.00 H new ATOM 0 HG11 VAL A 3 16.893 25.567 2.462 1.00 0.00 H new ATOM 0 HG12 VAL A 3 18.360 25.420 3.459 1.00 0.00 H new ATOM 0 HG13 VAL A 3 17.800 24.036 2.490 1.00 0.00 H new ATOM 0 HG21 VAL A 3 14.855 24.416 3.032 1.00 0.00 H new ATOM 0 HG22 VAL A 3 15.695 22.849 3.099 1.00 0.00 H new ATOM 0 HG23 VAL A 3 14.730 23.402 4.489 1.00 0.00 H new ATOM 45 N GLU A 4 18.637 24.863 6.783 1.00 0.00 N ATOM 46 CA GLU A 4 19.811 25.523 7.384 1.00 0.00 C ATOM 47 C GLU A 4 20.920 24.539 7.821 1.00 0.00 C ATOM 48 O GLU A 4 22.104 24.874 7.783 1.00 0.00 O ATOM 49 CB GLU A 4 19.347 26.396 8.564 1.00 0.00 C ATOM 50 CG GLU A 4 18.811 25.591 9.761 1.00 0.00 C ATOM 51 CD GLU A 4 18.136 26.503 10.796 1.00 0.00 C ATOM 52 OE1 GLU A 4 18.842 27.251 11.516 1.00 0.00 O ATOM 53 OE2 GLU A 4 16.885 26.460 10.904 1.00 0.00 O ATOM 0 H GLU A 4 17.765 25.058 7.275 1.00 0.00 H new ATOM 0 HA GLU A 4 20.267 26.144 6.613 1.00 0.00 H new ATOM 0 HB2 GLU A 4 20.182 27.012 8.898 1.00 0.00 H new ATOM 0 HB3 GLU A 4 18.568 27.075 8.217 1.00 0.00 H new ATOM 0 HG2 GLU A 4 18.096 24.847 9.410 1.00 0.00 H new ATOM 0 HG3 GLU A 4 19.631 25.048 10.232 1.00 0.00 H new ATOM 60 N GLN A 5 20.552 23.303 8.182 1.00 0.00 N ATOM 61 CA GLN A 5 21.494 22.289 8.670 1.00 0.00 C ATOM 62 C GLN A 5 22.459 21.822 7.568 1.00 0.00 C ATOM 63 O GLN A 5 23.611 21.508 7.860 1.00 0.00 O ATOM 64 CB GLN A 5 20.732 21.085 9.249 1.00 0.00 C ATOM 65 CG GLN A 5 19.725 21.469 10.350 1.00 0.00 C ATOM 66 CD GLN A 5 18.993 20.269 10.950 1.00 0.00 C ATOM 67 OE1 GLN A 5 19.511 19.165 11.077 1.00 0.00 O ATOM 68 NE2 GLN A 5 17.749 20.434 11.350 1.00 0.00 N ATOM 0 H GLN A 5 19.586 22.977 8.143 1.00 0.00 H new ATOM 0 HA GLN A 5 22.090 22.752 9.457 1.00 0.00 H new ATOM 0 HB2 GLN A 5 20.202 20.578 8.443 1.00 0.00 H new ATOM 0 HB3 GLN A 5 21.449 20.372 9.656 1.00 0.00 H new ATOM 0 HG2 GLN A 5 20.251 21.998 11.144 1.00 0.00 H new ATOM 0 HG3 GLN A 5 18.992 22.162 9.936 1.00 0.00 H new ATOM 0 HE21 GLN A 5 17.299 21.344 11.254 1.00 0.00 H new ATOM 0 HE22 GLN A 5 17.236 19.652 11.756 1.00 0.00 H new ATOM 77 N CYS A 6 22.010 21.816 6.306 1.00 0.00 N ATOM 78 CA CYS A 6 22.804 21.394 5.149 1.00 0.00 C ATOM 79 C CYS A 6 23.177 22.549 4.194 1.00 0.00 C ATOM 80 O CYS A 6 24.150 22.424 3.453 1.00 0.00 O ATOM 81 CB CYS A 6 22.023 20.312 4.396 1.00 0.00 C ATOM 82 SG CYS A 6 21.570 18.803 5.286 1.00 0.00 S ATOM 0 H CYS A 6 21.066 22.111 6.058 1.00 0.00 H new ATOM 0 HA CYS A 6 23.752 21.008 5.524 1.00 0.00 H new ATOM 0 HB2 CYS A 6 21.105 20.765 4.021 1.00 0.00 H new ATOM 0 HB3 CYS A 6 22.613 20.021 3.527 1.00 0.00 H new ATOM 87 N CYS A 7 22.416 23.651 4.168 1.00 0.00 N ATOM 88 CA CYS A 7 22.578 24.724 3.181 1.00 0.00 C ATOM 89 C CYS A 7 23.546 25.830 3.644 1.00 0.00 C ATOM 90 O CYS A 7 24.467 26.188 2.908 1.00 0.00 O ATOM 91 CB CYS A 7 21.189 25.274 2.832 1.00 0.00 C ATOM 92 SG CYS A 7 21.159 26.505 1.503 1.00 0.00 S ATOM 0 H CYS A 7 21.665 23.823 4.837 1.00 0.00 H new ATOM 0 HA CYS A 7 23.043 24.310 2.286 1.00 0.00 H new ATOM 0 HB2 CYS A 7 20.546 24.441 2.548 1.00 0.00 H new ATOM 0 HB3 CYS A 7 20.756 25.719 3.728 1.00 0.00 H new ATOM 97 N THR A 8 23.371 26.353 4.867 1.00 0.00 N ATOM 98 CA THR A 8 24.275 27.354 5.471 1.00 0.00 C ATOM 99 C THR A 8 25.340 26.697 6.352 1.00 0.00 C ATOM 100 O THR A 8 26.504 27.101 6.313 1.00 0.00 O ATOM 101 CB THR A 8 23.499 28.426 6.250 1.00 0.00 C ATOM 102 OG1 THR A 8 22.580 27.834 7.145 1.00 0.00 O ATOM 103 CG2 THR A 8 22.694 29.323 5.307 1.00 0.00 C ATOM 0 H THR A 8 22.593 26.093 5.473 1.00 0.00 H new ATOM 0 HA THR A 8 24.789 27.852 4.649 1.00 0.00 H new ATOM 0 HB THR A 8 24.241 29.013 6.792 1.00 0.00 H new ATOM 0 HG1 THR A 8 22.099 28.536 7.631 1.00 0.00 H new ATOM 0 HG21 THR A 8 22.156 30.072 5.888 1.00 0.00 H new ATOM 0 HG22 THR A 8 23.371 29.821 4.612 1.00 0.00 H new ATOM 0 HG23 THR A 8 21.981 28.717 4.748 1.00 0.00 H new ATOM 111 N SER A 9 24.975 25.644 7.089 1.00 0.00 N ATOM 112 CA SER A 9 25.900 24.734 7.783 1.00 0.00 C ATOM 113 C SER A 9 26.186 23.496 6.903 1.00 0.00 C ATOM 114 O SER A 9 25.742 23.446 5.751 1.00 0.00 O ATOM 115 CB SER A 9 25.320 24.365 9.155 1.00 0.00 C ATOM 116 OG SER A 9 26.324 23.783 9.974 1.00 0.00 O ATOM 0 H SER A 9 23.996 25.391 7.225 1.00 0.00 H new ATOM 0 HA SER A 9 26.857 25.227 7.954 1.00 0.00 H new ATOM 0 HB2 SER A 9 24.917 25.255 9.639 1.00 0.00 H new ATOM 0 HB3 SER A 9 24.492 23.667 9.032 1.00 0.00 H new ATOM 0 HG SER A 9 25.942 23.554 10.847 1.00 0.00 H new ATOM 122 N ILE A 10 26.926 22.503 7.405 1.00 0.00 N ATOM 123 CA ILE A 10 27.102 21.182 6.762 1.00 0.00 C ATOM 124 C ILE A 10 26.432 20.057 7.570 1.00 0.00 C ATOM 125 O ILE A 10 26.278 20.155 8.789 1.00 0.00 O ATOM 126 CB ILE A 10 28.578 20.883 6.400 1.00 0.00 C ATOM 127 CG1 ILE A 10 29.637 21.050 7.515 1.00 0.00 C ATOM 128 CG2 ILE A 10 29.010 21.750 5.210 1.00 0.00 C ATOM 129 CD1 ILE A 10 29.530 20.057 8.676 1.00 0.00 C ATOM 0 H ILE A 10 27.432 22.589 8.286 1.00 0.00 H new ATOM 0 HA ILE A 10 26.578 21.223 5.807 1.00 0.00 H new ATOM 0 HB ILE A 10 28.562 19.816 6.179 1.00 0.00 H new ATOM 0 HG12 ILE A 10 30.627 20.956 7.069 1.00 0.00 H new ATOM 0 HG13 ILE A 10 29.562 22.061 7.916 1.00 0.00 H new ATOM 0 HG21 ILE A 10 30.049 21.534 4.961 1.00 0.00 H new ATOM 0 HG22 ILE A 10 28.377 21.529 4.350 1.00 0.00 H new ATOM 0 HG23 ILE A 10 28.911 22.803 5.472 1.00 0.00 H new ATOM 0 HD11 ILE A 10 30.317 20.260 9.402 1.00 0.00 H new ATOM 0 HD12 ILE A 10 28.557 20.162 9.156 1.00 0.00 H new ATOM 0 HD13 ILE A 10 29.639 19.041 8.297 1.00 0.00 H new ATOM 141 N CYS A 11 26.043 18.980 6.881 1.00 0.00 N ATOM 142 CA CYS A 11 25.305 17.857 7.465 1.00 0.00 C ATOM 143 C CYS A 11 25.819 16.483 6.996 1.00 0.00 C ATOM 144 O CYS A 11 26.467 16.364 5.949 1.00 0.00 O ATOM 145 CB CYS A 11 23.811 18.040 7.171 1.00 0.00 C ATOM 146 SG CYS A 11 23.329 17.791 5.444 1.00 0.00 S ATOM 0 H CYS A 11 26.235 18.863 5.886 1.00 0.00 H new ATOM 0 HA CYS A 11 25.470 17.865 8.542 1.00 0.00 H new ATOM 0 HB2 CYS A 11 23.247 17.345 7.793 1.00 0.00 H new ATOM 0 HB3 CYS A 11 23.518 19.046 7.472 1.00 0.00 H new ATOM 151 N SER A 12 25.541 15.447 7.787 1.00 0.00 N ATOM 152 CA SER A 12 25.961 14.053 7.575 1.00 0.00 C ATOM 153 C SER A 12 24.827 13.159 7.057 1.00 0.00 C ATOM 154 O SER A 12 23.649 13.471 7.224 1.00 0.00 O ATOM 155 CB SER A 12 26.523 13.500 8.892 1.00 0.00 C ATOM 156 OG SER A 12 27.760 14.123 9.198 1.00 0.00 O ATOM 0 H SER A 12 24.989 15.558 8.637 1.00 0.00 H new ATOM 0 HA SER A 12 26.728 14.048 6.801 1.00 0.00 H new ATOM 0 HB2 SER A 12 25.812 13.672 9.700 1.00 0.00 H new ATOM 0 HB3 SER A 12 26.661 12.422 8.813 1.00 0.00 H new ATOM 0 HG SER A 12 28.038 13.871 10.103 1.00 0.00 H new ATOM 162 N LEU A 13 25.173 11.997 6.485 1.00 0.00 N ATOM 163 CA LEU A 13 24.208 11.004 5.985 1.00 0.00 C ATOM 164 C LEU A 13 23.210 10.558 7.070 1.00 0.00 C ATOM 165 O LEU A 13 22.019 10.427 6.796 1.00 0.00 O ATOM 166 CB LEU A 13 24.967 9.791 5.407 1.00 0.00 C ATOM 167 CG LEU A 13 25.985 10.099 4.289 1.00 0.00 C ATOM 168 CD1 LEU A 13 26.563 8.789 3.750 1.00 0.00 C ATOM 169 CD2 LEU A 13 25.389 10.869 3.111 1.00 0.00 C ATOM 0 H LEU A 13 26.145 11.715 6.354 1.00 0.00 H new ATOM 0 HA LEU A 13 23.621 11.476 5.197 1.00 0.00 H new ATOM 0 HB2 LEU A 13 25.493 9.294 6.223 1.00 0.00 H new ATOM 0 HB3 LEU A 13 24.236 9.081 5.020 1.00 0.00 H new ATOM 0 HG LEU A 13 26.751 10.728 4.743 1.00 0.00 H new ATOM 0 HD11 LEU A 13 27.282 9.006 2.960 1.00 0.00 H new ATOM 0 HD12 LEU A 13 27.062 8.252 4.557 1.00 0.00 H new ATOM 0 HD13 LEU A 13 25.758 8.174 3.348 1.00 0.00 H new ATOM 0 HD21 LEU A 13 26.163 11.049 2.365 1.00 0.00 H new ATOM 0 HD22 LEU A 13 24.584 10.285 2.665 1.00 0.00 H new ATOM 0 HD23 LEU A 13 24.994 11.823 3.462 1.00 0.00 H new ATOM 181 N TYR A 14 23.653 10.410 8.323 1.00 0.00 N ATOM 182 CA TYR A 14 22.768 10.056 9.448 1.00 0.00 C ATOM 183 C TYR A 14 21.828 11.198 9.886 1.00 0.00 C ATOM 184 O TYR A 14 20.806 10.938 10.526 1.00 0.00 O ATOM 185 CB TYR A 14 23.602 9.504 10.616 1.00 0.00 C ATOM 186 CG TYR A 14 24.693 10.427 11.130 1.00 0.00 C ATOM 187 CD1 TYR A 14 24.376 11.473 12.019 1.00 0.00 C ATOM 188 CD2 TYR A 14 26.030 10.219 10.738 1.00 0.00 C ATOM 189 CE1 TYR A 14 25.391 12.317 12.506 1.00 0.00 C ATOM 190 CE2 TYR A 14 27.046 11.059 11.223 1.00 0.00 C ATOM 191 CZ TYR A 14 26.730 12.115 12.103 1.00 0.00 C ATOM 192 OH TYR A 14 27.719 12.937 12.553 1.00 0.00 O ATOM 0 H TYR A 14 24.630 10.531 8.590 1.00 0.00 H new ATOM 0 HA TYR A 14 22.097 9.273 9.095 1.00 0.00 H new ATOM 0 HB2 TYR A 14 22.930 9.269 11.441 1.00 0.00 H new ATOM 0 HB3 TYR A 14 24.061 8.567 10.302 1.00 0.00 H new ATOM 0 HD1 TYR A 14 23.352 11.627 12.327 1.00 0.00 H new ATOM 0 HD2 TYR A 14 26.274 9.412 10.063 1.00 0.00 H new ATOM 0 HE1 TYR A 14 25.147 13.119 13.187 1.00 0.00 H new ATOM 0 HE2 TYR A 14 28.070 10.896 10.922 1.00 0.00 H new ATOM 0 HH TYR A 14 28.578 12.652 12.176 1.00 0.00 H new ATOM 202 N GLN A 15 22.115 12.452 9.509 1.00 0.00 N ATOM 203 CA GLN A 15 21.210 13.596 9.696 1.00 0.00 C ATOM 204 C GLN A 15 20.221 13.712 8.528 1.00 0.00 C ATOM 205 O GLN A 15 19.035 13.938 8.753 1.00 0.00 O ATOM 206 CB GLN A 15 22.009 14.898 9.869 1.00 0.00 C ATOM 207 CG GLN A 15 22.939 14.867 11.090 1.00 0.00 C ATOM 208 CD GLN A 15 23.765 16.143 11.190 1.00 0.00 C ATOM 209 OE1 GLN A 15 24.656 16.384 10.388 1.00 0.00 O ATOM 210 NE2 GLN A 15 23.508 17.003 12.151 1.00 0.00 N ATOM 0 H GLN A 15 22.995 12.704 9.059 1.00 0.00 H new ATOM 0 HA GLN A 15 20.634 13.426 10.606 1.00 0.00 H new ATOM 0 HB2 GLN A 15 22.601 15.078 8.972 1.00 0.00 H new ATOM 0 HB3 GLN A 15 21.316 15.734 9.967 1.00 0.00 H new ATOM 0 HG2 GLN A 15 22.348 14.742 11.997 1.00 0.00 H new ATOM 0 HG3 GLN A 15 23.603 14.006 11.022 1.00 0.00 H new ATOM 0 HE21 GLN A 15 22.766 16.809 12.824 1.00 0.00 H new ATOM 0 HE22 GLN A 15 24.050 17.864 12.223 1.00 0.00 H new ATOM 219 N LEU A 16 20.675 13.455 7.294 1.00 0.00 N ATOM 220 CA LEU A 16 19.809 13.339 6.113 1.00 0.00 C ATOM 221 C LEU A 16 18.785 12.198 6.273 1.00 0.00 C ATOM 222 O LEU A 16 17.630 12.350 5.883 1.00 0.00 O ATOM 223 CB LEU A 16 20.700 13.152 4.872 1.00 0.00 C ATOM 224 CG LEU A 16 21.433 14.440 4.441 1.00 0.00 C ATOM 225 CD1 LEU A 16 22.668 14.080 3.621 1.00 0.00 C ATOM 226 CD2 LEU A 16 20.535 15.340 3.595 1.00 0.00 C ATOM 0 H LEU A 16 21.664 13.320 7.085 1.00 0.00 H new ATOM 0 HA LEU A 16 19.222 14.250 5.995 1.00 0.00 H new ATOM 0 HB2 LEU A 16 21.437 12.375 5.077 1.00 0.00 H new ATOM 0 HB3 LEU A 16 20.086 12.798 4.044 1.00 0.00 H new ATOM 0 HG LEU A 16 21.716 14.977 5.347 1.00 0.00 H new ATOM 0 HD11 LEU A 16 23.183 14.992 3.319 1.00 0.00 H new ATOM 0 HD12 LEU A 16 23.339 13.468 4.223 1.00 0.00 H new ATOM 0 HD13 LEU A 16 22.366 13.523 2.734 1.00 0.00 H new ATOM 0 HD21 LEU A 16 21.084 16.237 3.310 1.00 0.00 H new ATOM 0 HD22 LEU A 16 20.224 14.804 2.698 1.00 0.00 H new ATOM 0 HD23 LEU A 16 19.655 15.622 4.173 1.00 0.00 H new ATOM 238 N GLU A 17 19.172 11.110 6.946 1.00 0.00 N ATOM 239 CA GLU A 17 18.276 10.005 7.322 1.00 0.00 C ATOM 240 C GLU A 17 17.145 10.437 8.274 1.00 0.00 C ATOM 241 O GLU A 17 16.043 9.887 8.223 1.00 0.00 O ATOM 242 CB GLU A 17 19.110 8.880 7.971 1.00 0.00 C ATOM 243 CG GLU A 17 18.437 7.512 7.840 1.00 0.00 C ATOM 244 CD GLU A 17 19.271 6.422 8.543 1.00 0.00 C ATOM 245 OE1 GLU A 17 19.119 6.243 9.775 1.00 0.00 O ATOM 246 OE2 GLU A 17 20.082 5.735 7.872 1.00 0.00 O ATOM 0 H GLU A 17 20.135 10.967 7.252 1.00 0.00 H new ATOM 0 HA GLU A 17 17.793 9.653 6.411 1.00 0.00 H new ATOM 0 HB2 GLU A 17 20.095 8.845 7.505 1.00 0.00 H new ATOM 0 HB3 GLU A 17 19.265 9.107 9.026 1.00 0.00 H new ATOM 0 HG2 GLU A 17 17.438 7.550 8.276 1.00 0.00 H new ATOM 0 HG3 GLU A 17 18.316 7.261 6.786 1.00 0.00 H new ATOM 253 N ASN A 18 17.371 11.439 9.136 1.00 0.00 N ATOM 254 CA ASN A 18 16.356 11.927 10.074 1.00 0.00 C ATOM 255 C ASN A 18 15.259 12.749 9.365 1.00 0.00 C ATOM 256 O ASN A 18 14.108 12.748 9.803 1.00 0.00 O ATOM 257 CB ASN A 18 17.059 12.728 11.184 1.00 0.00 C ATOM 258 CG ASN A 18 16.159 13.029 12.376 1.00 0.00 C ATOM 259 OD1 ASN A 18 15.231 12.301 12.709 1.00 0.00 O ATOM 260 ND2 ASN A 18 16.420 14.108 13.081 1.00 0.00 N ATOM 0 H ASN A 18 18.262 11.932 9.201 1.00 0.00 H new ATOM 0 HA ASN A 18 15.839 11.077 10.520 1.00 0.00 H new ATOM 0 HB2 ASN A 18 17.930 12.171 11.528 1.00 0.00 H new ATOM 0 HB3 ASN A 18 17.425 13.667 10.768 1.00 0.00 H new ATOM 0 HD21 ASN A 18 15.852 14.333 13.898 1.00 0.00 H new ATOM 0 HD22 ASN A 18 17.190 14.720 12.811 1.00 0.00 H new ATOM 267 N TYR A 19 15.571 13.394 8.234 1.00 0.00 N ATOM 268 CA TYR A 19 14.588 14.148 7.447 1.00 0.00 C ATOM 269 C TYR A 19 13.594 13.233 6.698 1.00 0.00 C ATOM 270 O TYR A 19 12.528 13.681 6.279 1.00 0.00 O ATOM 271 CB TYR A 19 15.322 15.079 6.473 1.00 0.00 C ATOM 272 CG TYR A 19 16.469 15.907 7.043 1.00 0.00 C ATOM 273 CD1 TYR A 19 16.459 16.383 8.375 1.00 0.00 C ATOM 274 CD2 TYR A 19 17.581 16.170 6.223 1.00 0.00 C ATOM 275 CE1 TYR A 19 17.579 17.060 8.898 1.00 0.00 C ATOM 276 CE2 TYR A 19 18.709 16.827 6.746 1.00 0.00 C ATOM 277 CZ TYR A 19 18.723 17.257 8.088 1.00 0.00 C ATOM 278 OH TYR A 19 19.838 17.855 8.588 1.00 0.00 O ATOM 0 H TYR A 19 16.511 13.408 7.839 1.00 0.00 H new ATOM 0 HA TYR A 19 13.989 14.740 8.139 1.00 0.00 H new ATOM 0 HB2 TYR A 19 15.714 14.474 5.655 1.00 0.00 H new ATOM 0 HB3 TYR A 19 14.591 15.763 6.042 1.00 0.00 H new ATOM 0 HD1 TYR A 19 15.588 16.227 8.995 1.00 0.00 H new ATOM 0 HD2 TYR A 19 17.569 15.866 5.187 1.00 0.00 H new ATOM 0 HE1 TYR A 19 17.564 17.427 9.914 1.00 0.00 H new ATOM 0 HE2 TYR A 19 19.569 17.003 6.116 1.00 0.00 H new ATOM 0 HH TYR A 19 19.629 18.266 9.453 1.00 0.00 H new ATOM 288 N CYS A 20 13.912 11.939 6.573 1.00 0.00 N ATOM 289 CA CYS A 20 13.049 10.891 6.012 1.00 0.00 C ATOM 290 C CYS A 20 11.927 10.433 6.971 1.00 0.00 C ATOM 291 O CYS A 20 10.995 9.745 6.550 1.00 0.00 O ATOM 292 CB CYS A 20 13.944 9.699 5.654 1.00 0.00 C ATOM 293 SG CYS A 20 15.361 10.107 4.603 1.00 0.00 S ATOM 0 H CYS A 20 14.817 11.577 6.873 1.00 0.00 H new ATOM 0 HA CYS A 20 12.543 11.301 5.138 1.00 0.00 H new ATOM 0 HB2 CYS A 20 14.311 9.247 6.576 1.00 0.00 H new ATOM 0 HB3 CYS A 20 13.339 8.946 5.149 1.00 0.00 H new ATOM 298 N ASN A 21 12.022 10.788 8.260 1.00 0.00 N ATOM 299 CA ASN A 21 11.176 10.304 9.358 1.00 0.00 C ATOM 300 C ASN A 21 9.811 11.038 9.446 1.00 0.00 C ATOM 301 O ASN A 21 9.372 11.449 10.525 1.00 0.00 O ATOM 302 CB ASN A 21 12.025 10.379 10.646 1.00 0.00 C ATOM 303 CG ASN A 21 11.459 9.605 11.826 1.00 0.00 C ATOM 304 OD1 ASN A 21 10.639 8.704 11.700 1.00 0.00 O ATOM 305 ND2 ASN A 21 11.924 9.899 13.019 1.00 0.00 N ATOM 0 H ASN A 21 12.726 11.453 8.580 1.00 0.00 H new ATOM 0 HA ASN A 21 10.877 9.270 9.185 1.00 0.00 H new ATOM 0 HB2 ASN A 21 13.025 10.003 10.428 1.00 0.00 H new ATOM 0 HB3 ASN A 21 12.133 11.425 10.933 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.602 9.378 13.835 1.00 0.00 H new ATOM 0 HD22 ASN A 21 12.607 10.648 13.130 1.00 0.00 H new ATOM 312 N GLY A 22 9.165 11.257 8.291 1.00 0.00 N ATOM 313 CA GLY A 22 7.900 11.990 8.122 1.00 0.00 C ATOM 314 C GLY A 22 7.469 12.116 6.659 1.00 0.00 C ATOM 315 O GLY A 22 8.353 12.254 5.785 1.00 0.00 O ATOM 316 OXT GLY A 22 6.244 12.082 6.408 1.00 0.00 O ATOM 0 H GLY A 22 9.529 10.910 7.404 1.00 0.00 H new ATOM 0 HA2 GLY A 22 7.115 11.482 8.683 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.005 12.987 8.551 1.00 0.00 H new TER 320 GLY A 22 ATOM 321 N PHE B 101 32.951 8.979 5.363 1.00 0.00 N ATOM 322 CA PHE B 101 32.565 9.974 4.330 1.00 0.00 C ATOM 323 C PHE B 101 32.973 11.394 4.748 1.00 0.00 C ATOM 324 O PHE B 101 33.268 11.643 5.919 1.00 0.00 O ATOM 325 CB PHE B 101 31.058 9.887 3.984 1.00 0.00 C ATOM 326 CG PHE B 101 30.112 10.084 5.161 1.00 0.00 C ATOM 327 CD1 PHE B 101 29.783 11.381 5.607 1.00 0.00 C ATOM 328 CD2 PHE B 101 29.564 8.966 5.822 1.00 0.00 C ATOM 329 CE1 PHE B 101 28.941 11.554 6.717 1.00 0.00 C ATOM 330 CE2 PHE B 101 28.713 9.140 6.927 1.00 0.00 C ATOM 331 CZ PHE B 101 28.410 10.433 7.380 1.00 0.00 C ATOM 0 HA PHE B 101 33.112 9.731 3.419 1.00 0.00 H new ATOM 0 HB2 PHE B 101 30.831 10.637 3.226 1.00 0.00 H new ATOM 0 HB3 PHE B 101 30.859 8.913 3.537 1.00 0.00 H new ATOM 0 HD1 PHE B 101 30.180 12.244 5.093 1.00 0.00 H new ATOM 0 HD2 PHE B 101 29.799 7.970 5.477 1.00 0.00 H new ATOM 0 HE1 PHE B 101 28.701 12.549 7.062 1.00 0.00 H new ATOM 0 HE2 PHE B 101 28.293 8.280 7.427 1.00 0.00 H new ATOM 0 HZ PHE B 101 27.769 10.568 8.238 1.00 0.00 H new ATOM 343 N VAL B 102 32.979 12.333 3.794 1.00 0.00 N ATOM 344 CA VAL B 102 33.237 13.778 3.998 1.00 0.00 C ATOM 345 C VAL B 102 31.943 14.569 3.739 1.00 0.00 C ATOM 346 O VAL B 102 31.128 14.160 2.910 1.00 0.00 O ATOM 347 CB VAL B 102 34.406 14.257 3.106 1.00 0.00 C ATOM 348 CG1 VAL B 102 34.757 15.736 3.325 1.00 0.00 C ATOM 349 CG2 VAL B 102 35.680 13.448 3.391 1.00 0.00 C ATOM 0 H VAL B 102 32.798 12.105 2.816 1.00 0.00 H new ATOM 0 HA VAL B 102 33.540 13.955 5.030 1.00 0.00 H new ATOM 0 HB VAL B 102 34.064 14.114 2.081 1.00 0.00 H new ATOM 0 HG11 VAL B 102 35.584 16.014 2.672 1.00 0.00 H new ATOM 0 HG12 VAL B 102 33.889 16.354 3.095 1.00 0.00 H new ATOM 0 HG13 VAL B 102 35.047 15.891 4.364 1.00 0.00 H new ATOM 0 HG21 VAL B 102 36.488 13.804 2.751 1.00 0.00 H new ATOM 0 HG22 VAL B 102 35.964 13.572 4.436 1.00 0.00 H new ATOM 0 HG23 VAL B 102 35.494 12.393 3.188 1.00 0.00 H new ATOM 359 N ASN B 103 31.737 15.687 4.442 1.00 0.00 N ATOM 360 CA ASN B 103 30.534 16.525 4.346 1.00 0.00 C ATOM 361 C ASN B 103 30.617 17.573 3.213 1.00 0.00 C ATOM 362 O ASN B 103 31.704 18.034 2.852 1.00 0.00 O ATOM 363 CB ASN B 103 30.292 17.200 5.709 1.00 0.00 C ATOM 364 CG ASN B 103 30.159 16.213 6.859 1.00 0.00 C ATOM 365 OD1 ASN B 103 31.103 15.935 7.585 1.00 0.00 O ATOM 366 ND2 ASN B 103 28.991 15.654 7.057 1.00 0.00 N ATOM 0 H ASN B 103 32.419 16.045 5.111 1.00 0.00 H new ATOM 0 HA ASN B 103 29.692 15.882 4.090 1.00 0.00 H new ATOM 0 HB2 ASN B 103 31.116 17.882 5.919 1.00 0.00 H new ATOM 0 HB3 ASN B 103 29.386 17.803 5.651 1.00 0.00 H new ATOM 0 HD21 ASN B 103 28.868 14.986 7.818 1.00 0.00 H new ATOM 0 HD22 ASN B 103 28.205 15.887 6.451 1.00 0.00 H new ATOM 373 N GLN B 104 29.459 17.993 2.691 1.00 0.00 N ATOM 374 CA GLN B 104 29.293 19.082 1.709 1.00 0.00 C ATOM 375 C GLN B 104 28.034 19.912 2.022 1.00 0.00 C ATOM 376 O GLN B 104 27.147 19.460 2.751 1.00 0.00 O ATOM 377 CB GLN B 104 29.168 18.538 0.267 1.00 0.00 C ATOM 378 CG GLN B 104 30.344 17.686 -0.245 1.00 0.00 C ATOM 379 CD GLN B 104 30.336 16.244 0.259 1.00 0.00 C ATOM 380 OE1 GLN B 104 29.310 15.647 0.559 1.00 0.00 O ATOM 381 NE2 GLN B 104 31.486 15.618 0.383 1.00 0.00 N ATOM 0 H GLN B 104 28.569 17.567 2.950 1.00 0.00 H new ATOM 0 HA GLN B 104 30.184 19.706 1.781 1.00 0.00 H new ATOM 0 HB2 GLN B 104 28.259 17.939 0.205 1.00 0.00 H new ATOM 0 HB3 GLN B 104 29.039 19.384 -0.408 1.00 0.00 H new ATOM 0 HG2 GLN B 104 30.326 17.679 -1.335 1.00 0.00 H new ATOM 0 HG3 GLN B 104 31.279 18.159 0.055 1.00 0.00 H new ATOM 0 HE21 GLN B 104 32.355 16.094 0.139 1.00 0.00 H new ATOM 0 HE22 GLN B 104 31.509 14.657 0.723 1.00 0.00 H new ATOM 390 N HIS B 105 27.931 21.112 1.440 1.00 0.00 N ATOM 391 CA HIS B 105 26.688 21.892 1.456 1.00 0.00 C ATOM 392 C HIS B 105 25.666 21.313 0.465 1.00 0.00 C ATOM 393 O HIS B 105 26.005 20.966 -0.669 1.00 0.00 O ATOM 394 CB HIS B 105 26.949 23.371 1.153 1.00 0.00 C ATOM 395 CG HIS B 105 27.731 24.097 2.220 1.00 0.00 C ATOM 396 ND1 HIS B 105 27.323 24.337 3.514 1.00 0.00 N ATOM 397 CD2 HIS B 105 28.953 24.700 2.062 1.00 0.00 C ATOM 398 CE1 HIS B 105 28.271 25.075 4.118 1.00 0.00 C ATOM 399 NE2 HIS B 105 29.290 25.321 3.274 1.00 0.00 N ATOM 0 H HIS B 105 28.700 21.567 0.948 1.00 0.00 H new ATOM 0 HA HIS B 105 26.273 21.825 2.462 1.00 0.00 H new ATOM 0 HB2 HIS B 105 27.489 23.446 0.209 1.00 0.00 H new ATOM 0 HB3 HIS B 105 25.993 23.875 1.014 1.00 0.00 H new ATOM 0 HD1 HIS B 105 26.455 24.012 3.939 1.00 0.00 H new ATOM 0 HD2 HIS B 105 29.551 24.697 1.162 1.00 0.00 H new ATOM 0 HE1 HIS B 105 28.221 25.422 5.139 1.00 0.00 H new ATOM 407 N LEU B 106 24.404 21.228 0.890 1.00 0.00 N ATOM 408 CA LEU B 106 23.264 20.704 0.135 1.00 0.00 C ATOM 409 C LEU B 106 22.038 21.581 0.423 1.00 0.00 C ATOM 410 O LEU B 106 21.681 21.780 1.585 1.00 0.00 O ATOM 411 CB LEU B 106 22.987 19.243 0.554 1.00 0.00 C ATOM 412 CG LEU B 106 24.149 18.247 0.391 1.00 0.00 C ATOM 413 CD1 LEU B 106 23.873 17.007 1.241 1.00 0.00 C ATOM 414 CD2 LEU B 106 24.334 17.832 -1.065 1.00 0.00 C ATOM 0 H LEU B 106 24.135 21.541 1.823 1.00 0.00 H new ATOM 0 HA LEU B 106 23.483 20.722 -0.933 1.00 0.00 H new ATOM 0 HB2 LEU B 106 22.681 19.241 1.600 1.00 0.00 H new ATOM 0 HB3 LEU B 106 22.140 18.877 -0.027 1.00 0.00 H new ATOM 0 HG LEU B 106 25.065 18.738 0.720 1.00 0.00 H new ATOM 0 HD11 LEU B 106 24.694 16.299 1.128 1.00 0.00 H new ATOM 0 HD12 LEU B 106 23.784 17.296 2.288 1.00 0.00 H new ATOM 0 HD13 LEU B 106 22.944 16.541 0.913 1.00 0.00 H new ATOM 0 HD21 LEU B 106 25.163 17.129 -1.140 1.00 0.00 H new ATOM 0 HD22 LEU B 106 23.422 17.358 -1.427 1.00 0.00 H new ATOM 0 HD23 LEU B 106 24.549 18.713 -1.670 1.00 0.00 H new ATOM 426 N CYS B 107 21.388 22.108 -0.613 1.00 0.00 N ATOM 427 CA CYS B 107 20.270 23.047 -0.478 1.00 0.00 C ATOM 428 C CYS B 107 19.144 22.729 -1.474 1.00 0.00 C ATOM 429 O CYS B 107 19.412 22.250 -2.582 1.00 0.00 O ATOM 430 CB CYS B 107 20.807 24.468 -0.667 1.00 0.00 C ATOM 431 SG CYS B 107 19.830 25.746 0.161 1.00 0.00 S ATOM 0 H CYS B 107 21.624 21.894 -1.582 1.00 0.00 H new ATOM 0 HA CYS B 107 19.832 22.954 0.516 1.00 0.00 H new ATOM 0 HB2 CYS B 107 21.830 24.510 -0.294 1.00 0.00 H new ATOM 0 HB3 CYS B 107 20.847 24.691 -1.733 1.00 0.00 H new ATOM 436 N GLY B 108 17.887 22.983 -1.090 1.00 0.00 N ATOM 437 CA GLY B 108 16.709 22.771 -1.942 1.00 0.00 C ATOM 438 C GLY B 108 16.641 21.358 -2.532 1.00 0.00 C ATOM 439 O GLY B 108 16.710 20.361 -1.806 1.00 0.00 O ATOM 0 H GLY B 108 17.656 23.347 -0.166 1.00 0.00 H new ATOM 0 HA2 GLY B 108 15.808 22.959 -1.359 1.00 0.00 H new ATOM 0 HA3 GLY B 108 16.720 23.498 -2.754 1.00 0.00 H new ATOM 443 N SER B 109 16.562 21.267 -3.862 1.00 0.00 N ATOM 444 CA SER B 109 16.557 20.003 -4.614 1.00 0.00 C ATOM 445 C SER B 109 17.774 19.110 -4.349 1.00 0.00 C ATOM 446 O SER B 109 17.643 17.887 -4.394 1.00 0.00 O ATOM 447 CB SER B 109 16.472 20.286 -6.118 1.00 0.00 C ATOM 448 OG SER B 109 17.463 21.223 -6.516 1.00 0.00 O ATOM 0 H SER B 109 16.498 22.088 -4.463 1.00 0.00 H new ATOM 0 HA SER B 109 15.681 19.458 -4.263 1.00 0.00 H new ATOM 0 HB2 SER B 109 16.600 19.357 -6.674 1.00 0.00 H new ATOM 0 HB3 SER B 109 15.482 20.671 -6.364 1.00 0.00 H new ATOM 0 HG SER B 109 17.390 21.387 -7.480 1.00 0.00 H new ATOM 454 N HIS B 110 18.943 19.672 -4.015 1.00 0.00 N ATOM 455 CA HIS B 110 20.149 18.891 -3.724 1.00 0.00 C ATOM 456 C HIS B 110 20.079 18.225 -2.335 1.00 0.00 C ATOM 457 O HIS B 110 20.564 17.107 -2.155 1.00 0.00 O ATOM 458 CB HIS B 110 21.390 19.790 -3.864 1.00 0.00 C ATOM 459 CG HIS B 110 22.686 19.071 -4.171 1.00 0.00 C ATOM 460 ND1 HIS B 110 23.934 19.654 -4.185 1.00 0.00 N ATOM 461 CD2 HIS B 110 22.848 17.770 -4.579 1.00 0.00 C ATOM 462 CE1 HIS B 110 24.829 18.727 -4.572 1.00 0.00 C ATOM 463 NE2 HIS B 110 24.213 17.557 -4.822 1.00 0.00 N ATOM 0 H HIS B 110 19.078 20.680 -3.939 1.00 0.00 H new ATOM 0 HA HIS B 110 20.222 18.080 -4.448 1.00 0.00 H new ATOM 0 HB2 HIS B 110 21.203 20.517 -4.654 1.00 0.00 H new ATOM 0 HB3 HIS B 110 21.517 20.351 -2.938 1.00 0.00 H new ATOM 0 HD2 HIS B 110 22.062 17.038 -4.693 1.00 0.00 H new ATOM 0 HE1 HIS B 110 25.891 18.898 -4.668 1.00 0.00 H new ATOM 0 HE2 HIS B 110 24.651 16.688 -5.127 1.00 0.00 H new ATOM 471 N LEU B 111 19.411 18.867 -1.369 1.00 0.00 N ATOM 472 CA LEU B 111 19.120 18.311 -0.040 1.00 0.00 C ATOM 473 C LEU B 111 18.073 17.188 -0.153 1.00 0.00 C ATOM 474 O LEU B 111 18.266 16.106 0.404 1.00 0.00 O ATOM 475 CB LEU B 111 18.671 19.477 0.867 1.00 0.00 C ATOM 476 CG LEU B 111 18.848 19.266 2.382 1.00 0.00 C ATOM 477 CD1 LEU B 111 18.489 20.568 3.095 1.00 0.00 C ATOM 478 CD2 LEU B 111 17.967 18.166 2.975 1.00 0.00 C ATOM 0 H LEU B 111 19.048 19.812 -1.492 1.00 0.00 H new ATOM 0 HA LEU B 111 20.002 17.850 0.405 1.00 0.00 H new ATOM 0 HB2 LEU B 111 19.226 20.369 0.578 1.00 0.00 H new ATOM 0 HB3 LEU B 111 17.618 19.679 0.670 1.00 0.00 H new ATOM 0 HG LEU B 111 19.885 18.964 2.527 1.00 0.00 H new ATOM 0 HD11 LEU B 111 18.608 20.439 4.171 1.00 0.00 H new ATOM 0 HD12 LEU B 111 19.148 21.365 2.750 1.00 0.00 H new ATOM 0 HD13 LEU B 111 17.455 20.831 2.874 1.00 0.00 H new ATOM 0 HD21 LEU B 111 18.156 18.086 4.045 1.00 0.00 H new ATOM 0 HD22 LEU B 111 16.918 18.411 2.809 1.00 0.00 H new ATOM 0 HD23 LEU B 111 18.198 17.216 2.493 1.00 0.00 H new ATOM 490 N VAL B 112 17.022 17.396 -0.959 1.00 0.00 N ATOM 491 CA VAL B 112 16.025 16.356 -1.276 1.00 0.00 C ATOM 492 C VAL B 112 16.680 15.166 -1.984 1.00 0.00 C ATOM 493 O VAL B 112 16.496 14.026 -1.567 1.00 0.00 O ATOM 494 CB VAL B 112 14.852 16.929 -2.099 1.00 0.00 C ATOM 495 CG1 VAL B 112 13.836 15.844 -2.486 1.00 0.00 C ATOM 496 CG2 VAL B 112 14.094 17.996 -1.298 1.00 0.00 C ATOM 0 H VAL B 112 16.836 18.291 -1.412 1.00 0.00 H new ATOM 0 HA VAL B 112 15.611 15.995 -0.335 1.00 0.00 H new ATOM 0 HB VAL B 112 15.295 17.357 -2.998 1.00 0.00 H new ATOM 0 HG11 VAL B 112 13.028 16.292 -3.064 1.00 0.00 H new ATOM 0 HG12 VAL B 112 14.331 15.080 -3.086 1.00 0.00 H new ATOM 0 HG13 VAL B 112 13.428 15.389 -1.583 1.00 0.00 H new ATOM 0 HG21 VAL B 112 13.272 18.386 -1.898 1.00 0.00 H new ATOM 0 HG22 VAL B 112 13.698 17.552 -0.385 1.00 0.00 H new ATOM 0 HG23 VAL B 112 14.773 18.809 -1.042 1.00 0.00 H new ATOM 506 N GLU B 113 17.509 15.400 -3.003 1.00 0.00 N ATOM 507 CA GLU B 113 18.243 14.329 -3.688 1.00 0.00 C ATOM 508 C GLU B 113 19.155 13.548 -2.725 1.00 0.00 C ATOM 509 O GLU B 113 19.187 12.319 -2.775 1.00 0.00 O ATOM 510 CB GLU B 113 19.023 14.928 -4.867 1.00 0.00 C ATOM 511 CG GLU B 113 19.716 13.852 -5.715 1.00 0.00 C ATOM 512 CD GLU B 113 20.300 14.458 -7.007 1.00 0.00 C ATOM 513 OE1 GLU B 113 21.407 15.046 -6.961 1.00 0.00 O ATOM 514 OE2 GLU B 113 19.655 14.341 -8.079 1.00 0.00 O ATOM 0 H GLU B 113 17.691 16.331 -3.377 1.00 0.00 H new ATOM 0 HA GLU B 113 17.529 13.601 -4.074 1.00 0.00 H new ATOM 0 HB2 GLU B 113 18.342 15.501 -5.497 1.00 0.00 H new ATOM 0 HB3 GLU B 113 19.770 15.626 -4.488 1.00 0.00 H new ATOM 0 HG2 GLU B 113 20.512 13.385 -5.136 1.00 0.00 H new ATOM 0 HG3 GLU B 113 19.003 13.067 -5.967 1.00 0.00 H new ATOM 521 N ALA B 114 19.829 14.226 -1.794 1.00 0.00 N ATOM 522 CA ALA B 114 20.679 13.575 -0.801 1.00 0.00 C ATOM 523 C ALA B 114 19.904 12.730 0.229 1.00 0.00 C ATOM 524 O ALA B 114 20.342 11.623 0.543 1.00 0.00 O ATOM 525 CB ALA B 114 21.541 14.639 -0.126 1.00 0.00 C ATOM 0 H ALA B 114 19.799 15.242 -1.709 1.00 0.00 H new ATOM 0 HA ALA B 114 21.309 12.855 -1.322 1.00 0.00 H new ATOM 0 HB1 ALA B 114 22.182 14.169 0.619 1.00 0.00 H new ATOM 0 HB2 ALA B 114 22.158 15.136 -0.874 1.00 0.00 H new ATOM 0 HB3 ALA B 114 20.899 15.373 0.360 1.00 0.00 H new ATOM 531 N LEU B 115 18.735 13.175 0.718 1.00 0.00 N ATOM 532 CA LEU B 115 17.915 12.340 1.616 1.00 0.00 C ATOM 533 C LEU B 115 17.261 11.171 0.863 1.00 0.00 C ATOM 534 O LEU B 115 17.126 10.088 1.428 1.00 0.00 O ATOM 535 CB LEU B 115 16.973 13.191 2.497 1.00 0.00 C ATOM 536 CG LEU B 115 15.746 13.831 1.818 1.00 0.00 C ATOM 537 CD1 LEU B 115 14.542 12.891 1.709 1.00 0.00 C ATOM 538 CD2 LEU B 115 15.295 15.066 2.597 1.00 0.00 C ATOM 0 H LEU B 115 18.340 14.093 0.512 1.00 0.00 H new ATOM 0 HA LEU B 115 18.570 11.853 2.339 1.00 0.00 H new ATOM 0 HB2 LEU B 115 16.616 12.562 3.312 1.00 0.00 H new ATOM 0 HB3 LEU B 115 17.563 13.990 2.946 1.00 0.00 H new ATOM 0 HG LEU B 115 16.073 14.084 0.810 1.00 0.00 H new ATOM 0 HD11 LEU B 115 13.718 13.411 1.221 1.00 0.00 H new ATOM 0 HD12 LEU B 115 14.817 12.015 1.122 1.00 0.00 H new ATOM 0 HD13 LEU B 115 14.234 12.578 2.706 1.00 0.00 H new ATOM 0 HD21 LEU B 115 14.428 15.509 2.107 1.00 0.00 H new ATOM 0 HD22 LEU B 115 15.029 14.778 3.614 1.00 0.00 H new ATOM 0 HD23 LEU B 115 16.106 15.794 2.626 1.00 0.00 H new ATOM 550 N TYR B 116 16.955 11.318 -0.431 1.00 0.00 N ATOM 551 CA TYR B 116 16.552 10.201 -1.296 1.00 0.00 C ATOM 552 C TYR B 116 17.708 9.217 -1.548 1.00 0.00 C ATOM 553 O TYR B 116 17.485 8.010 -1.564 1.00 0.00 O ATOM 554 CB TYR B 116 15.963 10.729 -2.613 1.00 0.00 C ATOM 555 CG TYR B 116 14.448 10.871 -2.602 1.00 0.00 C ATOM 556 CD1 TYR B 116 13.837 12.034 -2.089 1.00 0.00 C ATOM 557 CD2 TYR B 116 13.644 9.829 -3.111 1.00 0.00 C ATOM 558 CE1 TYR B 116 12.436 12.165 -2.105 1.00 0.00 C ATOM 559 CE2 TYR B 116 12.240 9.957 -3.129 1.00 0.00 C ATOM 560 CZ TYR B 116 11.631 11.131 -2.628 1.00 0.00 C ATOM 561 OH TYR B 116 10.277 11.278 -2.644 1.00 0.00 O ATOM 0 H TYR B 116 16.980 12.218 -0.910 1.00 0.00 H new ATOM 0 HA TYR B 116 15.777 9.640 -0.774 1.00 0.00 H new ATOM 0 HB2 TYR B 116 16.407 11.700 -2.834 1.00 0.00 H new ATOM 0 HB3 TYR B 116 16.249 10.057 -3.422 1.00 0.00 H new ATOM 0 HD1 TYR B 116 14.447 12.827 -1.682 1.00 0.00 H new ATOM 0 HD2 TYR B 116 14.106 8.929 -3.489 1.00 0.00 H new ATOM 0 HE1 TYR B 116 11.975 13.061 -1.715 1.00 0.00 H new ATOM 0 HE2 TYR B 116 11.630 9.159 -3.525 1.00 0.00 H new ATOM 0 HH TYR B 116 9.866 10.479 -3.036 1.00 0.00 H new ATOM 571 N LEU B 117 18.956 9.684 -1.680 1.00 0.00 N ATOM 572 CA LEU B 117 20.127 8.803 -1.791 1.00 0.00 C ATOM 573 C LEU B 117 20.411 8.045 -0.475 1.00 0.00 C ATOM 574 O LEU B 117 20.830 6.888 -0.527 1.00 0.00 O ATOM 575 CB LEU B 117 21.356 9.610 -2.249 1.00 0.00 C ATOM 576 CG LEU B 117 21.333 9.991 -3.743 1.00 0.00 C ATOM 577 CD1 LEU B 117 22.383 11.064 -4.026 1.00 0.00 C ATOM 578 CD2 LEU B 117 21.632 8.791 -4.648 1.00 0.00 C ATOM 0 H LEU B 117 19.183 10.678 -1.713 1.00 0.00 H new ATOM 0 HA LEU B 117 19.906 8.046 -2.544 1.00 0.00 H new ATOM 0 HB2 LEU B 117 21.423 10.520 -1.653 1.00 0.00 H new ATOM 0 HB3 LEU B 117 22.256 9.029 -2.046 1.00 0.00 H new ATOM 0 HG LEU B 117 20.329 10.358 -3.959 1.00 0.00 H new ATOM 0 HD11 LEU B 117 22.359 11.326 -5.084 1.00 0.00 H new ATOM 0 HD12 LEU B 117 22.169 11.949 -3.427 1.00 0.00 H new ATOM 0 HD13 LEU B 117 23.371 10.683 -3.769 1.00 0.00 H new ATOM 0 HD21 LEU B 117 21.605 9.106 -5.691 1.00 0.00 H new ATOM 0 HD22 LEU B 117 22.620 8.396 -4.414 1.00 0.00 H new ATOM 0 HD23 LEU B 117 20.883 8.016 -4.484 1.00 0.00 H new ATOM 590 N VAL B 118 20.133 8.645 0.689 1.00 0.00 N ATOM 591 CA VAL B 118 20.236 7.972 2.003 1.00 0.00 C ATOM 592 C VAL B 118 19.076 6.990 2.252 1.00 0.00 C ATOM 593 O VAL B 118 19.309 5.888 2.753 1.00 0.00 O ATOM 594 CB VAL B 118 20.378 9.011 3.140 1.00 0.00 C ATOM 595 CG1 VAL B 118 20.305 8.379 4.532 1.00 0.00 C ATOM 596 CG2 VAL B 118 21.732 9.722 3.037 1.00 0.00 C ATOM 0 H VAL B 118 19.828 9.616 0.753 1.00 0.00 H new ATOM 0 HA VAL B 118 21.142 7.366 1.992 1.00 0.00 H new ATOM 0 HB VAL B 118 19.546 9.705 3.020 1.00 0.00 H new ATOM 0 HG11 VAL B 118 20.411 9.155 5.290 1.00 0.00 H new ATOM 0 HG12 VAL B 118 19.344 7.880 4.655 1.00 0.00 H new ATOM 0 HG13 VAL B 118 21.109 7.651 4.644 1.00 0.00 H new ATOM 0 HG21 VAL B 118 21.822 10.451 3.842 1.00 0.00 H new ATOM 0 HG22 VAL B 118 22.535 8.989 3.120 1.00 0.00 H new ATOM 0 HG23 VAL B 118 21.803 10.231 2.076 1.00 0.00 H new ATOM 606 N CYS B 119 17.841 7.347 1.884 1.00 0.00 N ATOM 607 CA CYS B 119 16.608 6.620 2.237 1.00 0.00 C ATOM 608 C CYS B 119 15.940 5.857 1.068 1.00 0.00 C ATOM 609 O CYS B 119 14.759 5.502 1.137 1.00 0.00 O ATOM 610 CB CYS B 119 15.648 7.593 2.929 1.00 0.00 C ATOM 611 SG CYS B 119 16.352 8.342 4.421 1.00 0.00 S ATOM 0 H CYS B 119 17.662 8.174 1.315 1.00 0.00 H new ATOM 0 HA CYS B 119 16.888 5.819 2.922 1.00 0.00 H new ATOM 0 HB2 CYS B 119 15.372 8.382 2.229 1.00 0.00 H new ATOM 0 HB3 CYS B 119 14.731 7.065 3.192 1.00 0.00 H new ATOM 616 N GLY B 120 16.688 5.600 -0.007 1.00 0.00 N ATOM 617 CA GLY B 120 16.268 4.793 -1.160 1.00 0.00 C ATOM 618 C GLY B 120 15.051 5.341 -1.920 1.00 0.00 C ATOM 619 O GLY B 120 14.822 6.548 -1.997 1.00 0.00 O ATOM 0 H GLY B 120 17.637 5.960 -0.104 1.00 0.00 H new ATOM 0 HA2 GLY B 120 17.105 4.712 -1.853 1.00 0.00 H new ATOM 0 HA3 GLY B 120 16.040 3.784 -0.816 1.00 0.00 H new ATOM 623 N GLU B 121 14.243 4.433 -2.477 1.00 0.00 N ATOM 624 CA GLU B 121 13.079 4.763 -3.319 1.00 0.00 C ATOM 625 C GLU B 121 11.965 5.559 -2.601 1.00 0.00 C ATOM 626 O GLU B 121 11.112 6.160 -3.261 1.00 0.00 O ATOM 627 CB GLU B 121 12.515 3.473 -3.945 1.00 0.00 C ATOM 628 CG GLU B 121 11.900 2.496 -2.931 1.00 0.00 C ATOM 629 CD GLU B 121 11.399 1.215 -3.631 1.00 0.00 C ATOM 630 OE1 GLU B 121 10.241 1.192 -4.114 1.00 0.00 O ATOM 631 OE2 GLU B 121 12.162 0.222 -3.698 1.00 0.00 O ATOM 0 H GLU B 121 14.378 3.429 -2.356 1.00 0.00 H new ATOM 0 HA GLU B 121 13.445 5.436 -4.094 1.00 0.00 H new ATOM 0 HB2 GLU B 121 11.756 3.741 -4.680 1.00 0.00 H new ATOM 0 HB3 GLU B 121 13.315 2.964 -4.483 1.00 0.00 H new ATOM 0 HG2 GLU B 121 12.641 2.236 -2.176 1.00 0.00 H new ATOM 0 HG3 GLU B 121 11.072 2.979 -2.412 1.00 0.00 H new ATOM 638 N ARG B 122 11.973 5.582 -1.260 1.00 0.00 N ATOM 639 CA ARG B 122 11.038 6.351 -0.426 1.00 0.00 C ATOM 640 C ARG B 122 11.426 7.823 -0.298 1.00 0.00 C ATOM 641 O ARG B 122 10.597 8.691 -0.568 1.00 0.00 O ATOM 642 CB ARG B 122 10.961 5.720 0.971 1.00 0.00 C ATOM 643 CG ARG B 122 10.073 4.473 1.037 1.00 0.00 C ATOM 644 CD ARG B 122 8.585 4.840 1.072 1.00 0.00 C ATOM 645 NE ARG B 122 7.746 3.655 1.330 1.00 0.00 N ATOM 646 CZ ARG B 122 7.507 3.099 2.505 1.00 0.00 C ATOM 647 NH1 ARG B 122 7.990 3.574 3.615 1.00 0.00 N ATOM 648 NH2 ARG B 122 6.772 2.028 2.590 1.00 0.00 N ATOM 0 H ARG B 122 12.649 5.051 -0.711 1.00 0.00 H new ATOM 0 HA ARG B 122 10.067 6.317 -0.919 1.00 0.00 H new ATOM 0 HB2 ARG B 122 11.967 5.456 1.296 1.00 0.00 H new ATOM 0 HB3 ARG B 122 10.583 6.462 1.674 1.00 0.00 H new ATOM 0 HG2 ARG B 122 10.271 3.838 0.173 1.00 0.00 H new ATOM 0 HG3 ARG B 122 10.326 3.892 1.924 1.00 0.00 H new ATOM 0 HD2 ARG B 122 8.411 5.587 1.846 1.00 0.00 H new ATOM 0 HD3 ARG B 122 8.297 5.292 0.123 1.00 0.00 H new ATOM 0 HE ARG B 122 7.305 3.220 0.519 1.00 0.00 H new ATOM 0 HH11 ARG B 122 8.578 4.407 3.600 1.00 0.00 H new ATOM 0 HH12 ARG B 122 7.780 3.114 4.501 1.00 0.00 H new ATOM 0 HH21 ARG B 122 6.376 1.613 1.747 1.00 0.00 H new ATOM 0 HH22 ARG B 122 6.592 1.604 3.500 1.00 0.00 H new ATOM 662 N GLY B 123 12.670 8.098 0.115 1.00 0.00 N ATOM 663 CA GLY B 123 13.088 9.444 0.523 1.00 0.00 C ATOM 664 C GLY B 123 12.325 9.862 1.783 1.00 0.00 C ATOM 665 O GLY B 123 12.615 9.365 2.868 1.00 0.00 O ATOM 0 H GLY B 123 13.410 7.399 0.175 1.00 0.00 H new ATOM 0 HA2 GLY B 123 14.161 9.460 0.714 1.00 0.00 H new ATOM 0 HA3 GLY B 123 12.897 10.154 -0.282 1.00 0.00 H new ATOM 669 N PHE B 124 11.327 10.733 1.633 1.00 0.00 N ATOM 670 CA PHE B 124 10.351 11.057 2.683 1.00 0.00 C ATOM 671 C PHE B 124 9.435 9.856 3.033 1.00 0.00 C ATOM 672 O PHE B 124 9.543 8.775 2.452 1.00 0.00 O ATOM 673 CB PHE B 124 9.541 12.276 2.211 1.00 0.00 C ATOM 674 CG PHE B 124 10.359 13.537 1.988 1.00 0.00 C ATOM 675 CD1 PHE B 124 11.002 14.164 3.073 1.00 0.00 C ATOM 676 CD2 PHE B 124 10.458 14.105 0.702 1.00 0.00 C ATOM 677 CE1 PHE B 124 11.719 15.359 2.880 1.00 0.00 C ATOM 678 CE2 PHE B 124 11.179 15.298 0.506 1.00 0.00 C ATOM 679 CZ PHE B 124 11.803 15.928 1.599 1.00 0.00 C ATOM 0 H PHE B 124 11.168 11.244 0.765 1.00 0.00 H new ATOM 0 HA PHE B 124 10.878 11.292 3.608 1.00 0.00 H new ATOM 0 HB2 PHE B 124 9.034 12.020 1.281 1.00 0.00 H new ATOM 0 HB3 PHE B 124 8.767 12.488 2.948 1.00 0.00 H new ATOM 0 HD1 PHE B 124 10.944 13.725 4.058 1.00 0.00 H new ATOM 0 HD2 PHE B 124 9.978 13.623 -0.137 1.00 0.00 H new ATOM 0 HE1 PHE B 124 12.205 15.839 3.717 1.00 0.00 H new ATOM 0 HE2 PHE B 124 11.253 15.729 -0.481 1.00 0.00 H new ATOM 0 HZ PHE B 124 12.347 16.850 1.452 1.00 0.00 H new ATOM 689 N PHE B 125 8.517 10.049 3.993 1.00 0.00 N ATOM 690 CA PHE B 125 7.506 9.075 4.437 1.00 0.00 C ATOM 691 C PHE B 125 8.052 7.669 4.775 1.00 0.00 C ATOM 692 O PHE B 125 7.487 6.633 4.411 1.00 0.00 O ATOM 693 CB PHE B 125 6.240 9.122 3.562 1.00 0.00 C ATOM 694 CG PHE B 125 6.384 8.713 2.107 1.00 0.00 C ATOM 695 CD1 PHE B 125 6.772 9.666 1.149 1.00 0.00 C ATOM 696 CD2 PHE B 125 6.083 7.402 1.699 1.00 0.00 C ATOM 697 CE1 PHE B 125 6.871 9.308 -0.209 1.00 0.00 C ATOM 698 CE2 PHE B 125 6.159 7.049 0.342 1.00 0.00 C ATOM 699 CZ PHE B 125 6.557 8.000 -0.614 1.00 0.00 C ATOM 0 H PHE B 125 8.456 10.929 4.505 1.00 0.00 H new ATOM 0 HA PHE B 125 7.177 9.404 5.422 1.00 0.00 H new ATOM 0 HB2 PHE B 125 5.489 8.479 4.021 1.00 0.00 H new ATOM 0 HB3 PHE B 125 5.848 10.139 3.589 1.00 0.00 H new ATOM 0 HD1 PHE B 125 6.995 10.677 1.456 1.00 0.00 H new ATOM 0 HD2 PHE B 125 5.792 6.664 2.432 1.00 0.00 H new ATOM 0 HE1 PHE B 125 7.188 10.038 -0.939 1.00 0.00 H new ATOM 0 HE2 PHE B 125 5.911 6.045 0.032 1.00 0.00 H new ATOM 0 HZ PHE B 125 6.621 7.726 -1.657 1.00 0.00 H new ATOM 709 N TYR B 126 9.132 7.678 5.558 1.00 0.00 N ATOM 710 CA TYR B 126 9.782 6.549 6.239 1.00 0.00 C ATOM 711 C TYR B 126 10.492 5.523 5.330 1.00 0.00 C ATOM 712 O TYR B 126 10.191 5.384 4.143 1.00 0.00 O ATOM 713 CB TYR B 126 8.798 5.880 7.217 1.00 0.00 C ATOM 714 CG TYR B 126 7.959 6.833 8.056 1.00 0.00 C ATOM 715 CD1 TYR B 126 8.517 7.461 9.188 1.00 0.00 C ATOM 716 CD2 TYR B 126 6.618 7.099 7.701 1.00 0.00 C ATOM 717 CE1 TYR B 126 7.746 8.355 9.957 1.00 0.00 C ATOM 718 CE2 TYR B 126 5.849 7.998 8.462 1.00 0.00 C ATOM 719 CZ TYR B 126 6.412 8.630 9.594 1.00 0.00 C ATOM 720 OH TYR B 126 5.669 9.496 10.339 1.00 0.00 O ATOM 0 H TYR B 126 9.620 8.552 5.751 1.00 0.00 H new ATOM 0 HA TYR B 126 10.610 6.990 6.795 1.00 0.00 H new ATOM 0 HB2 TYR B 126 8.126 5.238 6.647 1.00 0.00 H new ATOM 0 HB3 TYR B 126 9.363 5.234 7.889 1.00 0.00 H new ATOM 0 HD1 TYR B 126 9.540 7.256 9.467 1.00 0.00 H new ATOM 0 HD2 TYR B 126 6.182 6.610 6.842 1.00 0.00 H new ATOM 0 HE1 TYR B 126 8.178 8.830 10.826 1.00 0.00 H new ATOM 0 HE2 TYR B 126 4.827 8.206 8.181 1.00 0.00 H new ATOM 0 HH TYR B 126 4.772 9.575 9.952 1.00 0.00 H new ATOM 730 N THR B 127 11.442 4.790 5.918 1.00 0.00 N ATOM 731 CA THR B 127 12.333 3.802 5.274 1.00 0.00 C ATOM 732 C THR B 127 11.569 2.730 4.462 1.00 0.00 C ATOM 733 O THR B 127 10.503 2.300 4.906 1.00 0.00 O ATOM 734 CB THR B 127 13.170 3.109 6.369 1.00 0.00 C ATOM 735 OG1 THR B 127 13.693 4.071 7.267 1.00 0.00 O ATOM 736 CG2 THR B 127 14.356 2.300 5.848 1.00 0.00 C ATOM 0 H THR B 127 11.626 4.871 6.918 1.00 0.00 H new ATOM 0 HA THR B 127 12.964 4.341 4.568 1.00 0.00 H new ATOM 0 HB THR B 127 12.475 2.420 6.849 1.00 0.00 H new ATOM 0 HG1 THR B 127 14.221 3.620 7.959 1.00 0.00 H new ATOM 0 HG21 THR B 127 14.886 1.849 6.687 1.00 0.00 H new ATOM 0 HG22 THR B 127 13.997 1.515 5.182 1.00 0.00 H new ATOM 0 HG23 THR B 127 15.033 2.957 5.302 1.00 0.00 H new ATOM 744 N PRO B 128 12.092 2.237 3.312 1.00 0.00 N ATOM 745 CA PRO B 128 11.400 1.248 2.467 1.00 0.00 C ATOM 746 C PRO B 128 11.063 -0.104 3.125 1.00 0.00 C ATOM 747 O PRO B 128 10.150 -0.795 2.661 1.00 0.00 O ATOM 748 CB PRO B 128 12.320 1.026 1.261 1.00 0.00 C ATOM 749 CG PRO B 128 13.118 2.321 1.157 1.00 0.00 C ATOM 750 CD PRO B 128 13.273 2.736 2.615 1.00 0.00 C ATOM 0 HA PRO B 128 10.418 1.653 2.220 1.00 0.00 H new ATOM 0 HB2 PRO B 128 12.973 0.166 1.411 1.00 0.00 H new ATOM 0 HB3 PRO B 128 11.748 0.837 0.353 1.00 0.00 H new ATOM 0 HG2 PRO B 128 14.083 2.164 0.676 1.00 0.00 H new ATOM 0 HG3 PRO B 128 12.590 3.076 0.575 1.00 0.00 H new ATOM 0 HD2 PRO B 128 14.183 2.317 3.044 1.00 0.00 H new ATOM 0 HD3 PRO B 128 13.348 3.820 2.705 1.00 0.00 H new ATOM 758 N LYS B 129 11.781 -0.500 4.187 1.00 0.00 N ATOM 759 CA LYS B 129 11.561 -1.764 4.916 1.00 0.00 C ATOM 760 C LYS B 129 10.172 -1.816 5.573 1.00 0.00 C ATOM 761 O LYS B 129 9.725 -0.843 6.184 1.00 0.00 O ATOM 762 CB LYS B 129 12.702 -1.955 5.939 1.00 0.00 C ATOM 763 CG LYS B 129 12.646 -3.257 6.766 1.00 0.00 C ATOM 764 CD LYS B 129 12.726 -4.537 5.912 1.00 0.00 C ATOM 765 CE LYS B 129 12.843 -5.817 6.757 1.00 0.00 C ATOM 766 NZ LYS B 129 11.645 -6.059 7.607 1.00 0.00 N ATOM 0 H LYS B 129 12.544 0.057 4.572 1.00 0.00 H new ATOM 0 HA LYS B 129 11.579 -2.593 4.209 1.00 0.00 H new ATOM 0 HB2 LYS B 129 13.652 -1.925 5.406 1.00 0.00 H new ATOM 0 HB3 LYS B 129 12.695 -1.109 6.626 1.00 0.00 H new ATOM 0 HG2 LYS B 129 13.467 -3.257 7.483 1.00 0.00 H new ATOM 0 HG3 LYS B 129 11.720 -3.272 7.341 1.00 0.00 H new ATOM 0 HD2 LYS B 129 11.838 -4.603 5.283 1.00 0.00 H new ATOM 0 HD3 LYS B 129 13.585 -4.469 5.245 1.00 0.00 H new ATOM 0 HE2 LYS B 129 12.992 -6.671 6.096 1.00 0.00 H new ATOM 0 HE3 LYS B 129 13.726 -5.748 7.393 1.00 0.00 H new ATOM 0 HZ1 LYS B 129 11.604 -7.064 7.871 1.00 0.00 H new ATOM 0 HZ2 LYS B 129 11.706 -5.477 8.467 1.00 0.00 H new ATOM 0 HZ3 LYS B 129 10.787 -5.805 7.078 1.00 0.00 H new ATOM 780 N THR B 130 9.508 -2.966 5.470 1.00 0.00 N ATOM 781 CA THR B 130 8.180 -3.255 6.046 1.00 0.00 C ATOM 782 C THR B 130 8.118 -4.671 6.639 1.00 0.00 C ATOM 783 O THR B 130 9.084 -5.437 6.531 1.00 0.00 O ATOM 784 CB THR B 130 7.083 -2.986 4.997 1.00 0.00 C ATOM 785 OG1 THR B 130 5.817 -2.961 5.624 1.00 0.00 O ATOM 786 CG2 THR B 130 7.044 -4.008 3.859 1.00 0.00 C ATOM 0 H THR B 130 9.892 -3.763 4.961 1.00 0.00 H new ATOM 0 HA THR B 130 7.999 -2.581 6.883 1.00 0.00 H new ATOM 0 HB THR B 130 7.328 -2.022 4.552 1.00 0.00 H new ATOM 0 HG1 THR B 130 5.123 -2.788 4.954 1.00 0.00 H new ATOM 0 HG21 THR B 130 6.246 -3.748 3.164 1.00 0.00 H new ATOM 0 HG22 THR B 130 7.999 -4.004 3.333 1.00 0.00 H new ATOM 0 HG23 THR B 130 6.860 -5.001 4.268 1.00 0.00 H new ATOM 794 N ARG B 131 7.009 -5.014 7.308 1.00 0.00 N ATOM 795 CA ARG B 131 6.779 -6.300 8.000 1.00 0.00 C ATOM 796 C ARG B 131 6.518 -7.466 7.034 1.00 0.00 C ATOM 797 O ARG B 131 6.989 -8.583 7.346 1.00 0.00 O ATOM 798 CB ARG B 131 5.662 -6.113 9.049 1.00 0.00 C ATOM 799 CG ARG B 131 5.460 -7.327 9.976 1.00 0.00 C ATOM 800 CD ARG B 131 4.446 -8.347 9.437 1.00 0.00 C ATOM 801 NE ARG B 131 4.479 -9.608 10.198 1.00 0.00 N ATOM 802 CZ ARG B 131 5.294 -10.629 9.999 1.00 0.00 C ATOM 803 NH1 ARG B 131 6.229 -10.631 9.091 1.00 0.00 N ATOM 804 NH2 ARG B 131 5.176 -11.700 10.729 1.00 0.00 N ATOM 805 OXT ARG B 131 5.810 -7.279 6.019 1.00 0.00 O ATOM 0 H ARG B 131 6.213 -4.382 7.388 1.00 0.00 H new ATOM 0 HA ARG B 131 7.694 -6.588 8.517 1.00 0.00 H new ATOM 0 HB2 ARG B 131 5.893 -5.239 9.658 1.00 0.00 H new ATOM 0 HB3 ARG B 131 4.725 -5.904 8.533 1.00 0.00 H new ATOM 0 HG2 ARG B 131 6.419 -7.824 10.125 1.00 0.00 H new ATOM 0 HG3 ARG B 131 5.127 -6.977 10.953 1.00 0.00 H new ATOM 0 HD2 ARG B 131 3.444 -7.921 9.483 1.00 0.00 H new ATOM 0 HD3 ARG B 131 4.658 -8.551 8.387 1.00 0.00 H new ATOM 0 HE ARG B 131 3.803 -9.703 10.956 1.00 0.00 H new ATOM 0 HH11 ARG B 131 6.359 -9.816 8.491 1.00 0.00 H new ATOM 0 HH12 ARG B 131 6.831 -11.447 8.980 1.00 0.00 H new ATOM 0 HH21 ARG B 131 4.457 -11.749 11.451 1.00 0.00 H new ATOM 0 HH22 ARG B 131 5.803 -12.491 10.579 1.00 0.00 H new TER 819 ARG B 131